A0A3Q0KS30_SCHMA Loading...

N-acetyltransferase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KS30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 309 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	50.2	Low	73.1	Confident	244 Å²	244	117.7 Å²	117.7	100%	1.202	64%	0.639	S	S	*	*				0	149	0	-85.1	-156.3	158.5	0	0	109
2	L	59.6	Low	73.9	Confident	133 Å²	133	110.8 Å²	110.8	70%	0.696	60%	0.598	S	S	*	*			trans	-67.7	139.2	171.5	-72.5	160.9	0	0	0	109.1	G4 V6	L2-G4 PolarHBondContact O-N 3.14Å; L2-G4 VanDerWaalsContact O-N 3.11Å; L2-V6 HydrophobicContact CD1-CG2 3.75Å; L2-V6 HydrophobicContact CD2-CG2 4.13Å; L2-V6 HydrophobicContact CG-CG2 4.41Å
3	P	77.5	Confident	74.6	Confident	144 Å²	144	116.3 Å²	116.3	94%	0.935	61%	0.605	S	S	*	*	S	Bend	trans	-69.6	-6.9	-174	26.3	-33.4	0	0	0	114.1
4	G	78.2	Confident	75.2	Confident	39 Å²	39	116.3 Å²	116.3	40%	0.402	61%	0.606	S	S	.	*	S	Bend	trans	174.9	-178.1	178.5	0	0	0	0	0	111.6	L2 V6	L2-G4 PolarHBondContact O-N 3.14Å; L2-G4 VanDerWaalsContact O-N 3.11Å; G4-V6 PolarHBondContact O-N 3.36Å; G4-V6 VanDerWaalsContact O-N 3.15Å
5	P	75.5	Confident	75.9	Confident	109 Å²	109	110.5 Å²	110.5	71%	0.708	58%	0.579	S	S	*	*			trans	-62.3	118.2	176.4	25.4	-32.6	0	0	0	110.3	T7	P5-T7 VanDerWaalsContact C-N 3.26Å; P5-T7 PolarHBondContact O-N 3.41Å
6	V	71.5	Confident	76.6	Confident	97 Å²	97	112.7 Å²	112.7	59%	0.588	59%	0.592	S	S	*	*	S	Bend	trans	-60.6	-41.1	178.8	178.6	0	0	0	0	110.3	L2 G4 K11	L2-V6 HydrophobicContact CD1-CG2 3.75Å; L2-V6 HydrophobicContact CD2-CG2 4.13Å; L2-V6 HydrophobicContact CG-CG2 4.41Å; G4-V6 PolarHBondContact O-N 3.36Å; G4-V6 VanDerWaalsContact O-N 3.15Å; V6-K11 PolarHBondContact O-NZ 3.4Å
7	T	68.6	Low	77.7	Confident	70 Å²	70	107.8 Å²	107.8	43%	0.429	57%	0.565	S	S	.	*	S	Bend	trans	-120.9	126.7	178.9	-51.9	0	0	0	0	109.8	P5 F12	P5-T7 VanDerWaalsContact C-N 3.26Å; P5-T7 PolarHBondContact O-N 3.41Å; T7-F12 HydrophobicContact CG2-CB 4.26Å
8	S	79.8	Confident	78.6	Confident	48 Å²	48	103.1 Å²	103.1	34%	0.336	54%	0.541	S	S	.	.			trans	-108	162.6	168.7	66.8	0	0	0	0	110	K10 K11 F12	S8-K10 VanDerWaalsContact C-N 3.26Å; S8-K10 PolarHBondContact O-N 3.34Å; S8-K11 PolarHBondContact O-N 2.96Å; S8-K11 WeakPolarHBondContact OG-CG 3.36Å; S8-K11 PolarHBondContact OG-N 3.32Å; S8-F12 PolarHBondContact O-N 3.31Å
9	Y	80.9	Confident	79.5	Confident	134 Å²	134	99.6 Å²	99.6	53%	0.525	52%	0.523	S	S	.	.	H	α-helix	trans	-55.9	-41.6	175.5	174.7	-104.5	0	0	0	112.1	F12 R13	Y9-F12 WeakPolarHBondContact O-CB 3.36Å; Y9-F12 PolarHBondContact O-N 3.39Å; Y9-R13 WeakPolarHBondContact O-CB 3.38Å; Y9-R13 PolarHBondContact O-N 3.15Å
10	K	81.7	Confident	80.4	Confident	153 Å²	153	94.6 Å²	94.6	67%	0.665	50%	0.497	S	S	*	.	H	α-helix	trans	-58.3	-51.3	175.3	-173.7	176.2	-179.3	178.9	0	111.7	S8 F12 R13 D14	S8-K10 VanDerWaalsContact C-N 3.26Å; S8-K10 PolarHBondContact O-N 3.34Å; K10-F12 PolarHBondContact O-N 3.25Å; K10-R13 PolarHBondContact O-N 3.06Å; K10-D14 VanDerWaalsContact O-CG 3.28Å; K10-D14 PolarHBondContact O-N 3.06Å
11	K	81.2	Confident	81.2	Confident	124 Å²	124	92 Å²	92	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-60	-34.6	176.4	-72.7	179.9	-179.4	178.2	0	112.6	V6 S8 S15	V6-K11 PolarHBondContact O-NZ 3.4Å; S8-K11 PolarHBondContact O-N 2.96Å; S8-K11 WeakPolarHBondContact OG-CG 3.36Å; S8-K11 PolarHBondContact OG-N 3.32Å; K11-S15 VanDerWaalsContact O-CB 3.28Å; K11-S15 WeakPolarHBondContact O-CB 3.5Å; K11-S15 PolarHBondContact O-N 3.11Å; K11-S15 PolarHBondContact O-OG 2.99Å
12	F	82.5	Confident	83.4	Confident	35 Å²	35	80.4 Å²	80.4	15%	0.154	43%	0.426	C	S	.	.	H	α-helix	trans	-70.3	-48.4	177.3	175.5	-99.3	0	0	0	111.4	T7 S8 Y9 K10 D14 S15 Q17 I19	T7-F12 HydrophobicContact CG2-CB 4.26Å; S8-F12 PolarHBondContact O-N 3.31Å; Y9-F12 WeakPolarHBondContact O-CB 3.36Å; Y9-F12 PolarHBondContact O-N 3.39Å; K10-F12 PolarHBondContact O-N 3.25Å; F12-D14 VanDerWaalsContact C-N 3.27Å; F12-D14 PolarHBondContact O-N 2.85Å; F12-S15 WeakPolarHBondContact O-CB 3.44Å; F12-S15 PolarHBondContact O-N 3.35Å; F12-S15 PolarHBondContact O-OG 3.24Å; F12-Q17 HydrophobicContact CD2-CB 4.07Å; F12-Q17 HydrophobicContact CE2-CB 3.68Å; F12-I19 HydrophobicContact CD2-CD1 4.13Å; F12-I19 HydrophobicContact CE1-CD1 3.99Å; F12-I19 HydrophobicContact CE1-CG1 4.47Å; F12-I19 HydrophobicContact CE2-CD1 3.49Å; F12-I19 VanDerWaalsContact CE2-CD1 3.49Å; F12-I19 HydrophobicContact CE2-CG1 3.58Å; F12-I19 HydrophobicContact CZ-CB 4.19Å; F12-I19 HydrophobicContact CZ-CD1 3.41Å; F12-I19 VanDerWaalsContact CZ-CD1 3.41Å; F12-I19 HydrophobicContact CZ-CG1 3.51Å
13	R	82.7	Confident	85.2	Confident	182 Å²	182	75.2 Å²	75.2	69%	0.687	40%	0.401	S	S	*	.	H	α-helix	trans	-57.5	-40.4	178.5	-177.2	-178.5	179.9	-176.4	0.8	112.1	Y9 K10 S15	Y9-R13 WeakPolarHBondContact O-CB 3.38Å; Y9-R13 PolarHBondContact O-N 3.15Å; K10-R13 PolarHBondContact O-N 3.06Å; R13-S15 PolarHBondContact O-N 3.32Å
14	D	83.2	Confident	86	Confident	116 Å²	116	69.7 Å²	69.7	62%	0.62	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	6.4	179.7	-56	-24.2	0	0	0	112.5	K10 F12	K10-D14 VanDerWaalsContact O-CG 3.28Å; K10-D14 PolarHBondContact O-N 3.06Å; F12-D14 VanDerWaalsContact C-N 3.27Å; F12-D14 PolarHBondContact O-N 2.85Å
15	S	86.1	Confident	86.6	Confident	29 Å²	29	72.2 Å²	72.2	20%	0.203	37%	0.367	C	S	.	.	S	Bend	trans	-111.4	152.3	-178.7	76.5	0	0	0	0	112.9	K11 F12 R13 Q17	K11-S15 VanDerWaalsContact O-CB 3.28Å; K11-S15 WeakPolarHBondContact O-CB 3.5Å; K11-S15 PolarHBondContact O-N 3.11Å; K11-S15 PolarHBondContact O-OG 2.99Å; F12-S15 WeakPolarHBondContact O-CB 3.44Å; F12-S15 PolarHBondContact O-N 3.35Å; F12-S15 PolarHBondContact O-OG 3.24Å; R13-S15 PolarHBondContact O-N 3.32Å; S15-Q17 PolarHBondContact O-N 3.05Å; S15-Q17 WeakPolarHBondContact OG-CB 3.37Å; S15-Q17 WeakPolarHBondContact OG-CG 3.43Å; S15-Q17 PolarHBondContact OG-NE2 2.78Å
16	N	87.2	Confident	87.4	Confident	146 Å²	146	70.6 Å²	70.6	78%	0.781	36%	0.363	S	S	*	.	S	Bend	trans	-79	54.4	172.2	-64.5	-19.6	0	0	0	111.2	G37	N16-G37 WeakPolarHBondContact O-CA 3.23Å
17	Q	94	Very high	88.4	Confident	30 Å²	30	68.3 Å²	68.3	14%	0.14	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.5	177.8	-68.9	177.8	70.1	0	0	110.6	F12 S15 T36 L59	F12-Q17 HydrophobicContact CD2-CB 4.07Å; F12-Q17 HydrophobicContact CE2-CB 3.68Å; S15-Q17 PolarHBondContact O-N 3.05Å; S15-Q17 WeakPolarHBondContact OG-CB 3.37Å; S15-Q17 WeakPolarHBondContact OG-CG 3.43Å; S15-Q17 PolarHBondContact OG-NE2 2.78Å; Q17-T36 CarbonylContact C-O 3.53Å; Q17-T36 WeakPolarHBondContact CA-O 3.43Å; Q17-T36 WeakPolarHBondContact CB-O 2.97Å; Q17-L59 HydrophobicContact CG-CD1 3.97Å
18	T	94.5	Very high	89.6	Confident	22 Å²	22	74.4 Å²	74.4	14%	0.135	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.7	-176.8	-52.3	0	0	0	0	108.7	F20 K35 T36 N231	T18-F20 HydrophobicContact CG2-CD2 4.23Å; T18-F20 HydrophobicContact CG2-CE1 4.38Å; T18-F20 HydrophobicContact CG2-CE2 3.66Å; T18-F20 HydrophobicContact CG2-CZ 3.75Å; T18-K35 CarbonylContact O-C 3.54Å; T18-K35 WeakPolarHBondContact O-CA 3.28Å; T18-T36 PolarHBondContact N-O 2.61Å; T18-T36 PolarHBondContact O-N 3.15Å; T18-N231 VanDerWaalsContact CG2-CG 3.5Å; T18-N231 WeakPolarHBondContact CG2-OD1 3.02Å
19	I	95.8	Very high	90.3	Very high	37 Å²	37	78.3 Å²	78.3	19%	0.19	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.2	169.9	-64.3	167.2	0	0	0	108.6	F12 L21 F33 K35 T232	F12-I19 HydrophobicContact CD2-CD1 4.13Å; F12-I19 HydrophobicContact CE1-CD1 3.99Å; F12-I19 HydrophobicContact CE1-CG1 4.47Å; F12-I19 HydrophobicContact CE2-CD1 3.49Å; F12-I19 VanDerWaalsContact CE2-CD1 3.49Å; F12-I19 HydrophobicContact CE2-CG1 3.58Å; F12-I19 HydrophobicContact CZ-CB 4.19Å; F12-I19 HydrophobicContact CZ-CD1 3.41Å; F12-I19 VanDerWaalsContact CZ-CD1 3.41Å; F12-I19 HydrophobicContact CZ-CG1 3.51Å; I19-L21 HydrophobicContact CG2-CD2 3.68Å; I19-L21 HydrophobicContact CG2-CG 4.05Å; I19-F33 HydrophobicContact CG2-CB 4.17Å; I19-F33 HydrophobicContact CG2-CD2 4.5Å; I19-K35 HydrophobicContact CG1-CB 4.23Å; I19-K35 HydrophobicContact CG1-CD 4.47Å; I19-K35 HydrophobicContact CG1-CG 3.97Å; I19-T232 HydrophobicContact CB-CG2 4.21Å; I19-T232 WeakPolarHBondContact CB-OG1 3.48Å; I19-T232 HydrophobicContact CG2-CG2 4.38Å; I19-T232 PolarHBondContact N-OG1 3.36Å; I19-T232 WeakPolarHBondContact O-CG2 3.42Å; I19-T232 PolarHBondContact O-N 3.28Å; I19-T232 PolarHBondContact O-OG1 2.86Å
20	F	97.3	Very high	91	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.7	168.9	-60.2	-90.2	0	0	0	108.8	T18 F33 L34 T36 L76 F79 M80 I83 E84 C230 N231	T18-F20 HydrophobicContact CG2-CD2 4.23Å; T18-F20 HydrophobicContact CG2-CE1 4.38Å; T18-F20 HydrophobicContact CG2-CE2 3.66Å; T18-F20 HydrophobicContact CG2-CZ 3.75Å; F20-F33 CarbonylContact O-C 3.49Å; F20-F33 WeakPolarHBondContact O-CA 3.16Å; F20-L34 HydrophobicContact CB-CB 4.34Å; F20-L34 PolarHBondContact N-O 3.39Å; F20-L34 PolarHBondContact O-N 3.18Å; F20-T36 HydrophobicContact CE2-CG2 4.32Å; F20-L76 HydrophobicContact CB-CD2 4.36Å; F20-F79 AromaticContact CD1-CD1 3.73Å; F20-F79 HydrophobicContact CD1-CD1 3.73Å; F20-F79 AromaticContact CD1-CE1 3.93Å; F20-F79 HydrophobicContact CD1-CE1 3.93Å; F20-F79 HydrophobicContact CE1-CD1 4.14Å; F20-F79 HydrophobicContact CE1-CE1 4.21Å; F20-M80 HydrophobicContact CD1-CB 4.42Å; F20-M80 HydrophobicContact CD2-CB 3.92Å; F20-M80 HydrophobicContact CD2-CG 3.84Å; F20-M80 HydrophobicContact CE1-CB 4.33Å; F20-M80 HydrophobicContact CE2-CB 3.84Å; F20-M80 HydrophobicContact CE2-CG 3.41Å; F20-M80 VanDerWaalsContact CE2-CG 3.41Å; F20-M80 HydrophobicContact CG-CB 4.21Å; F20-M80 HydrophobicContact CZ-CB 4.04Å; F20-M80 HydrophobicContact CZ-CG 3.84Å; F20-I83 HydrophobicContact CE1-CB 3.97Å; F20-I83 HydrophobicContact CE1-CG1 4.13Å; F20-I83 HydrophobicContact CE1-CG2 3.98Å; F20-I83 HydrophobicContact CZ-CB 4.31Å; F20-I83 HydrophobicContact CZ-CG2 4.15Å; F20-E84 HydrophobicContact CZ-CG 4.36Å; F20-C230 WeakPolarHBondContact CA-O 3.5Å; F20-N231 HydrophobicContact CD1-CB 4.32Å; F20-N231 HydrophobicContact CE1-CB 4.23Å
21	L	97.1	Very high	91.7	Very high	40 Å²	40	69.6 Å²	69.6	21%	0.209	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.3	-179.7	-63.6	175.4	0	0	0	110	I19 I30 F33 I229 C230 T232	I19-L21 HydrophobicContact CG2-CD2 3.68Å; I19-L21 HydrophobicContact CG2-CG 4.05Å; L21-I30 HydrophobicContact CD2-CG2 4.42Å; L21-F33 HydrophobicContact CD2-CB 3.7Å; L21-I229 VanDerWaalsContact O-CA 3.26Å; L21-I229 WeakPolarHBondContact O-CA 3.42Å; L21-C230 PolarHBondContact N-O 2.95Å; L21-C230 PolarHBondContact O-N 3.29Å; L21-T232 HydrophobicContact CD1-CG2 3.65Å; L21-T232 HydrophobicContact CG-CG2 3.98Å
22	L	97.3	Very high	92.5	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	166.5	177.2	70.7	0	0	0	107.7	L31 G32 C72 L76 I229	L22-L31 HydrophobicContact CD2-CB 4.01Å; L22-L31 HydrophobicContact CD2-CD1 4.29Å; L22-L31 HydrophobicContact CG-CB 4.06Å; L22-L31 HydrophobicContact CG-CD1 4.23Å; L22-L31 PolarHBondContact O-N 3.35Å; L22-G32 PolarHBondContact N-O 3.45Å; L22-G32 PolarHBondContact O-N 3.48Å; L22-C72 HydrophobicContact CD2-CB 3.56Å; L22-L76 HydrophobicContact CB-CD1 3.97Å; L22-L76 HydrophobicContact CB-CD2 3.62Å; L22-L76 HydrophobicContact CB-CG 3.69Å; L22-L76 HydrophobicContact CD2-CD1 4.43Å; L22-L76 HydrophobicContact CD2-CG 4.33Å; L22-I229 HydrophobicContact CD1-CD1 4.14Å; L22-I229 HydrophobicContact CD1-CG1 3.51Å
23	S	96	Very high	93.2	Very high	23 Å²	23	64.8 Å²	64.8	16%	0.161	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.2	-178.9	60.4	0	0	0	0	111.2	K29 T227 N228	S23-K29 CarbonylContact C-O 3.52Å; S23-K29 VanDerWaalsContact CA-O 3.28Å; S23-K29 WeakPolarHBondContact CA-O 3.34Å; S23-T227 CarbonylContact O-C 3.59Å; S23-T227 WeakPolarHBondContact O-CA 3.28Å; S23-N228 PolarHBondContact N-O 3.29Å; S23-N228 PolarHBondContact O-N 3.36Å; S23-N228 PolarHBondContact OG-O 3.49Å
24	D	94.1	Very high	93.9	Very high	29 Å²	29	56.1 Å²	56.1	16%	0.155	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	112.4	161.5	174.9	2.9	0	0	0	107.5	A26 S27 K28 K29 L31	D24-A26 PolarHBondContact OD1-N 3.44Å; D24-S27 WeakPolarHBondContact CB-OG 3.31Å; D24-S27 PolarHBondContact OD1-N 2.75Å; D24-S27 WeakPolarHBondContact OD2-CB 3.27Å; D24-S27 PolarHBondContact OD2-OG 3.34Å; D24-K28 WeakPolarHBondContact O-CA 3.45Å; D24-K28 PolarHBondContact O-N 3.26Å; D24-K29 PolarHBondContact N-O 3.35Å; D24-K29 PolarHBondContact O-N 3.04Å; D24-L31 HydrophobicContact CB-CD1 4.12Å; D24-L31 HydrophobicContact CB-CD2 4.08Å; D24-L31 HydrophobicContact CB-CG 4.21Å
25	I	91.1	Very high	94.6	Very high	92 Å²	92	52.3 Å²	52.3	47%	0.472	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-39.8	-176.2	-62.3	165.6	0	0	0	110.6	S27 K28 Y226 N228	I25-S27 VanDerWaalsContact C-N 3.29Å; I25-S27 PolarHBondContact O-N 2.77Å; I25-K28 PolarHBondContact O-N 3.24Å; I25-K28 VanDerWaalsContact O-N 3.15Å; I25-Y226 PolarHBondContact N-O 2.94Å; I25-N228 HydrophobicContact CD1-CB 3.77Å; I25-N228 WeakPolarHBondContact CD1-ND2 3.5Å; I25-N228 HydrophobicContact CG1-CB 4.22Å
26	A	92.8	Very high	95.1	Very high	75 Å²	75	50.9 Å²	50.9	62%	0.62	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-41.7	-176.1	0	0	0	0	0	110.5	D24 Y226	D24-A26 PolarHBondContact OD1-N 3.44Å; A26-Y226 HydrophobicContact CB-CD1 4.25Å; A26-Y226 HydrophobicContact CB-CG 4.28Å
27	S	93	Very high	95.5	Very high	49 Å²	49	44 Å²	44	34%	0.343	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.5	176.5	69.6	0	0	0	0	114.9	D24 I25 K29	D24-S27 WeakPolarHBondContact CB-OG 3.31Å; D24-S27 PolarHBondContact OD1-N 2.75Å; D24-S27 WeakPolarHBondContact OD2-CB 3.27Å; D24-S27 PolarHBondContact OD2-OG 3.34Å; I25-S27 VanDerWaalsContact C-N 3.29Å; I25-S27 PolarHBondContact O-N 2.77Å; S27-K29 WeakPolarHBondContact O-CG 3.19Å; S27-K29 PolarHBondContact O-N 3.03Å
28	K	92.8	Very high	95.5	Very high	197 Å²	197	49 Å²	49	86%	0.857	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.5	-174.5	-59	-178.7	-179.7	177.8	0	113.2	D24 I25	D24-K28 WeakPolarHBondContact O-CA 3.45Å; D24-K28 PolarHBondContact O-N 3.26Å; I25-K28 PolarHBondContact O-N 3.24Å; I25-K28 VanDerWaalsContact O-N 3.15Å
29	K	94.2	Very high	95.4	Very high	130 Å²	130	51.9 Å²	51.9	57%	0.565	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.6	-176.9	-73.8	174.5	-175.7	179.1	0	112	S23 D24 S27 L31	S23-K29 CarbonylContact C-O 3.52Å; S23-K29 VanDerWaalsContact CA-O 3.28Å; S23-K29 WeakPolarHBondContact CA-O 3.34Å; D24-K29 PolarHBondContact N-O 3.35Å; D24-K29 PolarHBondContact O-N 3.04Å; S27-K29 WeakPolarHBondContact O-CG 3.19Å; S27-K29 PolarHBondContact O-N 3.03Å; K29-L31 HydrophobicContact CB-CD2 4.48Å
30	I	95.9	Very high	95.2	Very high	96 Å²	96	55.2 Å²	55.2	49%	0.492	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.2	166.9	-56.2	-55.7	0	0	0	108.6	L21	L21-I30 HydrophobicContact CD2-CG2 4.42Å
31	L	97.2	Very high	94.9	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-22	-179.4	-53.2	-174.7	0	0	0	112.3	L22 D24 K29 H64 T227	L22-L31 HydrophobicContact CD2-CB 4.01Å; L22-L31 HydrophobicContact CD2-CD1 4.29Å; L22-L31 HydrophobicContact CG-CB 4.06Å; L22-L31 HydrophobicContact CG-CD1 4.23Å; L22-L31 PolarHBondContact O-N 3.35Å; D24-L31 HydrophobicContact CB-CD1 4.12Å; D24-L31 HydrophobicContact CB-CD2 4.08Å; D24-L31 HydrophobicContact CB-CG 4.21Å; K29-L31 HydrophobicContact CB-CD2 4.48Å; L31-H64 WeakPolarHBondContact O-CB 3.31Å; L31-H64 PolarHBondContact O-N 3.03Å; L31-T227 HydrophobicContact CD1-CG2 4.07Å
32	G	97.4	Very high	94.6	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	171.2	179.4	0	0	0	0	0	112.4	L22 Y62	L22-G32 PolarHBondContact N-O 3.45Å; L22-G32 PolarHBondContact O-N 3.48Å; G32-Y62 CarbonylContact C-O 3.58Å; G32-Y62 WeakPolarHBondContact CA-O 3.36Å
33	F	97.6	Very high	94.1	Very high	56 Å²	56	54 Å²	54	25%	0.246	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	159	176.5	74.7	-89.6	0	0	0	112.1	I19 F20 L21 D60 Y62	I19-F33 HydrophobicContact CG2-CB 4.17Å; I19-F33 HydrophobicContact CG2-CD2 4.5Å; F20-F33 CarbonylContact O-C 3.49Å; F20-F33 WeakPolarHBondContact O-CA 3.16Å; L21-F33 HydrophobicContact CD2-CB 3.7Å; F33-D60 HydrophobicContact CE2-CB 3.86Å; F33-D60 HydrophobicContact CZ-CB 4.48Å; F33-D60 WeakPolarHBondContact CZ-OD2 3.36Å; F33-Y62 HydrophobicContact CD1-CD1 4.13Å; F33-Y62 AromaticContact CE1-CD1 3.93Å; F33-Y62 HydrophobicContact CE1-CD1 3.93Å; F33-Y62 HydrophobicContact CE1-CG 4.09Å; F33-Y62 PolarHBondContact N-O 3.27Å; F33-Y62 PolarHBondContact O-N 2.87Å; F33-Y62 VanDerWaalsContact O-O 3.09Å
34	L	98	Very high	93.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	119.9	173.3	171.3	59.4	0	0	0	108	F20 T36 V58 D60 F61 F77 M80	F20-L34 HydrophobicContact CB-CB 4.34Å; F20-L34 PolarHBondContact N-O 3.39Å; F20-L34 PolarHBondContact O-N 3.18Å; L34-T36 HydrophobicContact CG-CG2 4.34Å; L34-V58 HydrophobicContact CD1-CG1 3.61Å; L34-V58 HydrophobicContact CD1-CG2 4.46Å; L34-D60 WeakPolarHBondContact CD1-O 3.42Å; L34-F61 HydrophobicContact CB-CD2 4.07Å; L34-F61 HydrophobicContact CD1-CB 4.01Å; L34-F61 HydrophobicContact CD1-CD2 3.84Å; L34-F61 HydrophobicContact CD1-CG 4.19Å; L34-F61 HydrophobicContact CG-CD2 4.43Å; L34-F77 HydrophobicContact CD1-CD2 4.45Å; L34-F77 HydrophobicContact CD2-CB 4.39Å; L34-F77 HydrophobicContact CD2-CD2 3.96Å; L34-F77 HydrophobicContact CD2-CG 4.32Å; L34-M80 HydrophobicContact CD2-CB 3.54Å; L34-M80 HydrophobicContact CD2-CE 3.87Å; L34-M80 HydrophobicContact CD2-CG 3.82Å
35	K	96.8	Very high	92.7	Very high	36 Å²	36	53.2 Å²	53.2	16%	0.157	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.6	177.6	-172.3	178.9	72.4	-159.3	0	109.5	T18 I19 L59 D60	T18-K35 CarbonylContact O-C 3.54Å; T18-K35 WeakPolarHBondContact O-CA 3.28Å; I19-K35 HydrophobicContact CG1-CB 4.23Å; I19-K35 HydrophobicContact CG1-CD 4.47Å; I19-K35 HydrophobicContact CG1-CG 3.97Å; K35-L59 VanDerWaalsContact CE-CB 3.48Å; K35-L59 HydrophobicContact CG-CB 4.37Å; K35-L59 PolarHBondContact O-N 3.28Å; K35-D60 HydrophobicContact CB-CB 3.84Å; K35-D60 PolarHBondContact N-O 3.26Å; K35-D60 PolarHBondContact O-N 3.33Å
36	T	97.4	Very high	91.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	161.9	173.4	60.9	0	0	0	0	110.9	Q17 T18 F20 L34 C57 V58 M80	Q17-T36 CarbonylContact C-O 3.53Å; Q17-T36 WeakPolarHBondContact CA-O 3.43Å; Q17-T36 WeakPolarHBondContact CB-O 2.97Å; T18-T36 PolarHBondContact N-O 2.61Å; T18-T36 PolarHBondContact O-N 3.15Å; F20-T36 HydrophobicContact CE2-CG2 4.32Å; L34-T36 HydrophobicContact CG-CG2 4.34Å; T36-C57 CarbonylContact C-O 3.58Å; T36-C57 WeakPolarHBondContact CA-O 3.47Å; T36-C57 WeakPolarHBondContact CB-O 3.35Å; T36-V58 HydrophobicContact CG2-CG2 4.44Å; T36-M80 HydrophobicContact CG2-CG 3.75Å; T36-M80 HydrophobicContact CG2-SD 4.1Å
37	G	95.6	Very high	91.3	Very high	2 Å²	2	63 Å²	63	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	156.5	171.6	0	0	0	0	0	111.9	N16 C57	N16-G37 WeakPolarHBondContact O-CA 3.23Å; G37-C57 PolarHBondContact N-O 2.83Å; G37-C57 WeakPolarHBondContact O-CA 3.36Å; G37-C57 VanDerWaalsContact O-CB 3.31Å; G37-C57 WeakPolarHBondContact O-CB 3.49Å; G37-C57 PolarHBondContact O-N 3.19Å
38	R	94.3	Very high	90.5	Very high	135 Å²	135	61.4 Å²	61.4	51%	0.509	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	134.9	177.2	-60.3	-172.4	75.9	97.1	-4.7	110.4	V54 P55 L56	R38-V54 HydrophobicContact CB-CG1 4.08Å; R38-V54 PolarHBondContact NE-O 2.9Å; R38-V54 PolarHBondContact NH2-O 3.29Å; R38-P55 VanDerWaalsContact CA-O 3.27Å; R38-P55 WeakPolarHBondContact CA-O 3.47Å; R38-L56 HydrophobicContact CG-CD1 4.39Å
39	K	92.5	Very high	89.9	Confident	82 Å²	82	52.7 Å²	52.7	36%	0.357	23%	0.225	S	C	.	.			trans	-133.9	139.5	178.3	-65.8	-67.8	-177.7	175.2	0	110.1	L41 V54 P55 C57 L59	K39-L41 HydrophobicContact CB-CD2 3.95Å; K39-L41 HydrophobicContact CB-CG 4.34Å; K39-L41 PolarHBondContact O-N 2.92Å; K39-V54 WeakPolarHBondContact O-CA 3.36Å; K39-P55 PolarHBondContact N-O 3.35Å; K39-P55 WeakPolarHBondContact O-CD 3Å; K39-C57 HydrophobicContact CG-CB 4.5Å; K39-L59 HydrophobicContact CG-CD2 4.04Å
40	R	91.1	Very high	89.4	Confident	107 Å²	107	46.5 Å²	46.5	40%	0.404	20%	0.198	S	C	.	.			trans	-73.7	115.5	170.4	-177	178.7	170.2	-141.7	7.3	108.9	E52 C53 V54 N303	R40-E52 IonicContact CZ-OE1 3.96Å; R40-E52 IonicContact NE-OE1 3.09Å; R40-E52 PolarHBondContact NE-OE1 3.47Å; R40-E52 IonicContact NH2-OE1 2.68Å; R40-E52 PolarHBondContact NH2-OE1 2.8Å; R40-C53 CarbonylContact C-O 3.57Å; R40-C53 WeakPolarHBondContact CA-O 3.22Å; R40-V54 HydrophobicContact CB-CG2 4.24Å; R40-V54 HydrophobicContact CG-CG2 4.42Å; R40-N303 PolarHBondContact NH1-OD1 2.88Å; R40-N303 VanDerWaalsContact NH1-OD1 3.16Å
41	L	91.1	Very high	88.9	Confident	8 Å²	8	42 Å²	42	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.8	-177.2	-56.3	-173.3	0	0	0	110.9	K39 V43 E52 C53 P55 A92 F120	K39-L41 HydrophobicContact CB-CD2 3.95Å; K39-L41 HydrophobicContact CB-CG 4.34Å; K39-L41 PolarHBondContact O-N 2.92Å; L41-V43 HydrophobicContact CB-CG1 4.07Å; L41-V43 HydrophobicContact CD1-CG1 4.43Å; L41-E52 WeakPolarHBondContact O-CA 3.26Å; L41-C53 PolarHBondContact N-O 2.94Å; L41-C53 PolarHBondContact O-N 3Å; L41-P55 HydrophobicContact CB-CG 4.49Å; L41-P55 HydrophobicContact CD1-CG 3.68Å; L41-P55 HydrophobicContact CG-CG 4.02Å; L41-A92 HydrophobicContact CD1-CB 3.72Å; L41-F120 HydrophobicContact CD1-CB 4.29Å; L41-F120 HydrophobicContact CD1-CD1 3.74Å; L41-F120 HydrophobicContact CD1-CD2 4.23Å; L41-F120 HydrophobicContact CD1-CE1 4.11Å; L41-F120 HydrophobicContact CD1-CG 3.8Å; L41-F120 HydrophobicContact CD2-CD1 4.47Å; L41-F120 HydrophobicContact CD2-CD2 3.8Å; L41-F120 HydrophobicContact CD2-CE1 4.32Å; L41-F120 HydrophobicContact CD2-CE2 3.63Å; L41-F120 HydrophobicContact CD2-CG 4.23Å; L41-F120 HydrophobicContact CD2-CZ 3.91Å
42	F	89.3	Confident	88.5	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	107.1	164.6	-60.8	-88.3	0	0	0	107	V51 E52 Y295 A298 H302	F42-V51 WeakPolarHBondContact CA-O 3.37Å; F42-E52 HydrophobicContact CD1-CB 3.91Å; F42-E52 HydrophobicContact CD1-CG 4.05Å; F42-E52 HydrophobicContact CE1-CB 3.8Å; F42-E52 VanDerWaalsContact CE1-CD 3.46Å; F42-E52 HydrophobicContact CE1-CG 3.58Å; F42-E52 WeakPolarHBondContact CE1-OE2 3.38Å; F42-E52 HydrophobicContact CZ-CG 4.01Å; F42-Y295 HydrophobicContact CB-CD2 4.41Å; F42-A298 HydrophobicContact CB-CB 4.16Å; F42-A298 HydrophobicContact CD1-CB 3.92Å; F42-A298 HydrophobicContact CD2-CB 4.43Å; F42-A298 HydrophobicContact CE1-CB 4.46Å; F42-A298 HydrophobicContact CG-CB 3.91Å; F42-H302 HydrophobicContact CE1-CB 4.17Å; F42-H302 AromaticContact CE1-CD2 3.55Å; F42-H302 AromaticContact CE1-CG 3.7Å; F42-H302 AromaticContact CE1-NE2 3.79Å; F42-H302 HydrophobicContact CE2-CB 4.37Å; F42-H302 HydrophobicContact CZ-CB 3.52Å; F42-H302 AromaticContact CZ-CD2 3.84Å; F42-H302 AromaticContact CZ-CG 3.58Å
43	V	87	Confident	88.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	148.6	-176.9	-65.9	0	0	0	0	110.6	L41 C50 V51 I122 F126 F127	L41-V43 HydrophobicContact CB-CG1 4.07Å; L41-V43 HydrophobicContact CD1-CG1 4.43Å; V43-C50 CarbonylContact O-C 3.58Å; V43-C50 WeakPolarHBondContact O-CA 3.44Å; V43-V51 HydrophobicContact CG2-CB 4.3Å; V43-V51 PolarHBondContact N-O 3Å; V43-V51 PolarHBondContact O-N 3.15Å; V43-I122 HydrophobicContact CB-CD1 4.1Å; V43-I122 HydrophobicContact CG1-CD1 4.37Å; V43-I122 HydrophobicContact CG2-CD1 4.47Å; V43-F126 HydrophobicContact CG1-CE1 4.34Å; V43-F126 HydrophobicContact CG2-CE1 3.77Å; V43-F127 HydrophobicContact CG2-CE1 3.77Å; V43-F127 HydrophobicContact CG2-CZ 4.14Å
44	H	83.3	Confident	87.8	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.7	175.1	-61.5	90.6	0	0	0	110	V49 Y293	H44-V49 VanDerWaalsContact CA-O 3.31Å; H44-V49 WeakPolarHBondContact CA-O 3.48Å; H44-Y293 PolarHBondContact NE2-O 3.44Å
45	D	77.9	Confident	87.6	Confident	30 Å²	30	43.1 Å²	43.1	16%	0.16	19%	0.186	C	C	.	.			trans	-73.8	177.2	165.8	79.8	-5.5	0	0	0	111	R47 G48 V49 F127	D45-R47 PolarHBondContact O-N 3.22Å; D45-R47 VanDerWaalsContact OD1-C 3.25Å; D45-R47 VanDerWaalsContact OD1-CA 3.26Å; D45-R47 WeakPolarHBondContact OD1-CA 3.47Å; D45-R47 WeakPolarHBondContact OD1-CB 3.46Å; D45-R47 PolarHBondContact OD1-N 3.42Å; D45-G48 PolarHBondContact O-N 3.19Å; D45-G48 PolarHBondContact OD1-N 2.85Å; D45-V49 PolarHBondContact N-O 3.4Å; D45-V49 PolarHBondContact OD1-N 2.94Å; D45-F127 HydrophobicContact CB-CD2 4.39Å; D45-F127 HydrophobicContact CB-CE1 4.05Å; D45-F127 HydrophobicContact CB-CE2 3.92Å; D45-F127 HydrophobicContact CB-CZ 3.73Å
46	R	75	Confident	87.6	Confident	174 Å²	174	42 Å²	42	66%	0.657	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.9	177.2	-66.4	-175	177.7	-164.4	-1.2	113.7	I114	R46-I114 HydrophobicContact CG-CD1 4.13Å; R46-I114 HydrophobicContact CG-CG1 4.46Å
47	R	79	Confident	87.6	Confident	199 Å²	199	42 Å²	42	75%	0.751	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.6	177.5	-57.7	170.8	62.6	-167.9	-1.2	111.8	D45 V49	D45-R47 PolarHBondContact O-N 3.22Å; D45-R47 VanDerWaalsContact OD1-C 3.25Å; D45-R47 VanDerWaalsContact OD1-CA 3.26Å; D45-R47 WeakPolarHBondContact OD1-CA 3.47Å; D45-R47 WeakPolarHBondContact OD1-CB 3.46Å; D45-R47 PolarHBondContact OD1-N 3.42Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 HydrophobicContact CB-CG2 4.36Å
48	G	77	Confident	87.7	Confident	16 Å²	16	42 Å²	42	17%	0.165	18%	0.181	C	C	.	.			trans	81.1	7.9	-178.1	0	0	0	0	0	114.5	D45 C50	D45-G48 PolarHBondContact O-N 3.19Å; D45-G48 PolarHBondContact OD1-N 2.85Å; G48-C50 PolarHBondContact O-N 2.84Å
49	V	80.3	Confident	87.8	Confident	13 Å²	13	36.7 Å²	36.7	8%	0.079	16%	0.163	C	C	.	.			trans	-68.9	123.8	174.3	-178.9	0	0	0	0	108.5	H44 D45 R47 V51 I153	H44-V49 VanDerWaalsContact CA-O 3.31Å; H44-V49 WeakPolarHBondContact CA-O 3.48Å; D45-V49 PolarHBondContact N-O 3.4Å; D45-V49 PolarHBondContact OD1-N 2.94Å; R47-V49 VanDerWaalsContact C-N 3.33Å; R47-V49 HydrophobicContact CB-CG2 4.36Å; V49-V51 HydrophobicContact CG1-CG2 4.29Å; V49-I153 HydrophobicContact CG1-CG2 3.55Å
50	C	83.9	Confident	88	Confident	1 Å²	1	36 Å²	36	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.2	178.9	-174.4	0	0	0	0	109.1	V43 G48 W154	V43-C50 CarbonylContact O-C 3.58Å; V43-C50 WeakPolarHBondContact O-CA 3.44Å; G48-C50 PolarHBondContact O-N 2.84Å; C50-W154 HydrophobicContact CB-CB 4.22Å; C50-W154 PolarHBondContact N-O 2.86Å; C50-W154 VanDerWaalsContact N-O 3.13Å; C50-W154 PolarHBondContact O-N 3.06Å
51	V	85.2	Confident	88.3	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.1	179.4	-177.2	0	0	0	0	109	F42 V43 V49 F127 I130 I151	F42-V51 WeakPolarHBondContact CA-O 3.37Å; V43-V51 HydrophobicContact CG2-CB 4.3Å; V43-V51 PolarHBondContact N-O 3Å; V43-V51 PolarHBondContact O-N 3.15Å; V49-V51 HydrophobicContact CG1-CG2 4.29Å; V51-F127 HydrophobicContact CG2-CE1 4.45Å; V51-I130 HydrophobicContact CG1-CG2 4.04Å; V51-I151 HydrophobicContact CG1-CG2 3.62Å
52	E	88.3	Confident	88.6	Confident	14 Å²	14	37 Å²	37	7%	0.065	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.9	168.8	-174.3	176.6	179.9	0	0	110	R40 L41 F42 Q152 H302	R40-E52 IonicContact CZ-OE1 3.96Å; R40-E52 IonicContact NE-OE1 3.09Å; R40-E52 PolarHBondContact NE-OE1 3.47Å; R40-E52 IonicContact NH2-OE1 2.68Å; R40-E52 PolarHBondContact NH2-OE1 2.8Å; L41-E52 WeakPolarHBondContact O-CA 3.26Å; F42-E52 HydrophobicContact CD1-CB 3.91Å; F42-E52 HydrophobicContact CD1-CG 4.05Å; F42-E52 HydrophobicContact CE1-CB 3.8Å; F42-E52 VanDerWaalsContact CE1-CD 3.46Å; F42-E52 HydrophobicContact CE1-CG 3.58Å; F42-E52 WeakPolarHBondContact CE1-OE2 3.38Å; F42-E52 HydrophobicContact CZ-CG 4.01Å; E52-Q152 HydrophobicContact CB-CB 4.3Å; E52-Q152 PolarHBondContact N-O 3.12Å; E52-Q152 VanDerWaalsContact N-O 3.09Å; E52-H302 IonicContact OE2-CE1 2.67Å; E52-H302 PolarHBondContact OE2-CE1 3.46Å; E52-H302 IonicContact OE2-ND1 3.13Å; E52-H302 PolarHBondContact OE2-ND1 3.23Å; E52-H302 IonicContact OE2-NE2 3.98Å
53	C	88.9	Confident	89	Confident	11 Å²	11	37.2 Å²	37.2	7%	0.074	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	165.5	-178.3	56.8	0	0	0	0	111.7	R40 L41 P55 I130	R40-C53 CarbonylContact C-O 3.57Å; R40-C53 WeakPolarHBondContact CA-O 3.22Å; L41-C53 PolarHBondContact N-O 2.94Å; L41-C53 PolarHBondContact O-N 3Å; C53-P55 WeakPolarHBondContact O-CD 3.41Å; C53-I130 HydrophobicContact CB-CD1 3.82Å; C53-I130 HydrophobicContact CB-CG1 4.37Å; C53-I130 VanDerWaalsContact SG-CD1 3.59Å
54	V	92.2	Very high	89.4	Confident	52 Å²	52	41.1 Å²	41.1	32%	0.315	19%	0.188	S	C	.	.			trans	-119.7	67.4	175.4	-170.2	0	0	0	0	110.1	R38 K39 R40	R38-V54 HydrophobicContact CB-CG1 4.08Å; R38-V54 PolarHBondContact NE-O 2.9Å; R38-V54 PolarHBondContact NH2-O 3.29Å; K39-V54 WeakPolarHBondContact O-CA 3.36Å; R40-V54 HydrophobicContact CB-CG2 4.24Å; R40-V54 HydrophobicContact CG-CG2 4.42Å
55	P	94.3	Very high	90.1	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.084	21%	0.212	C	C	.	.			trans	-71.6	163.3	-176.9	31.9	-41.7	0	0	0	113.1	R38 K39 L41 C53 A92 F126	R38-P55 VanDerWaalsContact CA-O 3.27Å; R38-P55 WeakPolarHBondContact CA-O 3.47Å; K39-P55 PolarHBondContact N-O 3.35Å; K39-P55 WeakPolarHBondContact O-CD 3Å; L41-P55 HydrophobicContact CB-CG 4.49Å; L41-P55 HydrophobicContact CD1-CG 3.68Å; L41-P55 HydrophobicContact CG-CG 4.02Å; C53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-A92 HydrophobicContact CG-CB 4.27Å; P55-F126 HydrophobicContact CB-CE2 3.61Å; P55-F126 HydrophobicContact CB-CZ 3.69Å; P55-F126 HydrophobicContact CG-CE2 4.06Å; P55-F126 HydrophobicContact CG-CZ 3.78Å
56	L	96.2	Very high	90.9	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.9	162.9	-177.6	67.9	0	0	0	109.2	R38 E84 I86 L91 A92	R38-L56 HydrophobicContact CG-CD1 4.39Å; L56-E84 HydrophobicContact CD2-CB 3.74Å; L56-E84 HydrophobicContact CD2-CG 3.65Å; L56-I86 HydrophobicContact CB-CD1 4.15Å; L56-I86 HydrophobicContact CD2-CD1 4.11Å; L56-I86 HydrophobicContact CD2-CG2 4.17Å; L56-L91 HydrophobicContact CB-CD2 4.24Å; L56-L91 HydrophobicContact CD2-CD2 3.79Å; L56-L91 HydrophobicContact CG-CD2 3.96Å; L56-A92 PolarHBondContact O-N 2.88Å
57	C	97.4	Very high	91.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145	-177.7	-57.1	0	0	0	0	112	T36 G37 K39 L59 A92 F120	T36-C57 CarbonylContact C-O 3.58Å; T36-C57 WeakPolarHBondContact CA-O 3.47Å; T36-C57 WeakPolarHBondContact CB-O 3.35Å; G37-C57 PolarHBondContact N-O 2.83Å; G37-C57 WeakPolarHBondContact O-CA 3.36Å; G37-C57 VanDerWaalsContact O-CB 3.31Å; G37-C57 WeakPolarHBondContact O-CB 3.49Å; G37-C57 PolarHBondContact O-N 3.19Å; K39-C57 HydrophobicContact CG-CB 4.5Å; C57-L59 HydrophobicContact CB-CD2 3.67Å; C57-L59 HydrophobicContact CB-CG 4.29Å; C57-A92 CarbonylContact C-O 3.49Å; C57-A92 WeakPolarHBondContact CA-O 3.43Å; C57-F120 HydrophobicContact CB-CE1 3.88Å
58	V	98.1	Very high	92.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.3	160.4	176.8	0	0	0	0	107.5	L34 T36 F61 F77 M80 L91 A92 I93 D94 M100	L34-V58 HydrophobicContact CD1-CG1 3.61Å; L34-V58 HydrophobicContact CD1-CG2 4.46Å; T36-V58 HydrophobicContact CG2-CG2 4.44Å; V58-F61 HydrophobicContact CG1-CB 4.42Å; V58-F77 HydrophobicContact CG2-CE2 3.99Å; V58-F77 HydrophobicContact CG2-CZ 4.04Å; V58-M80 HydrophobicContact CG2-CE 4.3Å; V58-L91 HydrophobicContact CG2-CD1 4.15Å; V58-A92 PolarHBondContact N-O 2.94Å; V58-I93 HydrophobicContact CB-CD1 3.72Å; V58-I93 HydrophobicContact CB-CG2 4.37Å; V58-I93 HydrophobicContact CG2-CD1 3.65Å; V58-D94 WeakPolarHBondContact O-CB 3.29Å; V58-D94 PolarHBondContact O-N 3.09Å; V58-M100 HydrophobicContact CG1-CE 3.67Å
59	L	96.4	Very high	93.6	Very high	23 Å²	23	43.4 Å²	43.4	12%	0.12	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-26.9	-172.2	-59.3	179	0	0	0	112.7	Q17 K35 K39 C57 D94 F120	Q17-L59 HydrophobicContact CG-CD1 3.97Å; K35-L59 VanDerWaalsContact CE-CB 3.48Å; K35-L59 HydrophobicContact CG-CB 4.37Å; K35-L59 PolarHBondContact O-N 3.28Å; K39-L59 HydrophobicContact CG-CD2 4.04Å; C57-L59 HydrophobicContact CB-CD2 3.67Å; C57-L59 HydrophobicContact CB-CG 4.29Å; L59-D94 HydrophobicContact CD2-CB 4.32Å; L59-F120 HydrophobicContact CD2-CE1 4.49Å; L59-F120 HydrophobicContact CD2-CZ 4.44Å
60	D	95.6	Very high	94.4	Very high	68 Å²	68	49.8 Å²	49.8	36%	0.364	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	144.1	176.2	-159.9	-13.4	0	0	0	109.8	F33 L34 K35	F33-D60 HydrophobicContact CE2-CB 3.86Å; F33-D60 HydrophobicContact CZ-CB 4.48Å; F33-D60 WeakPolarHBondContact CZ-OD2 3.36Å; L34-D60 WeakPolarHBondContact CD1-O 3.42Å; K35-D60 HydrophobicContact CB-CB 3.84Å; K35-D60 PolarHBondContact N-O 3.26Å; K35-D60 PolarHBondContact O-N 3.33Å
61	F	97.8	Very high	95	Very high	51 Å²	51	51.4 Å²	51.4	22%	0.224	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	113.4	-177.9	-179.9	-134.1	0	0	0	111	L34 V58 V63 L76 F77 M100 F103	L34-F61 HydrophobicContact CB-CD2 4.07Å; L34-F61 HydrophobicContact CD1-CB 4.01Å; L34-F61 HydrophobicContact CD1-CD2 3.84Å; L34-F61 HydrophobicContact CD1-CG 4.19Å; L34-F61 HydrophobicContact CG-CD2 4.43Å; V58-F61 HydrophobicContact CG1-CB 4.42Å; F61-V63 HydrophobicContact CE2-CG2 4.45Å; F61-L76 HydrophobicContact CE2-CB 4.26Å; F61-L76 HydrophobicContact CE2-CD1 4.31Å; F61-F77 HydrophobicContact CZ-CD2 4.45Å; F61-M100 HydrophobicContact CB-CE 3.9Å; F61-M100 HydrophobicContact CD1-CE 3.67Å; F61-M100 HydrophobicContact CD1-SD 3.58Å; F61-M100 VanDerWaalsContact CD1-SD 3.58Å; F61-M100 HydrophobicContact CE1-SD 4.06Å; F61-M100 HydrophobicContact CG-CE 4.09Å; F61-F103 AromaticContact CE1-CD1 4Å; F61-F103 HydrophobicContact CE1-CD1 4Å; F61-F103 AromaticContact CE1-CE1 3.9Å; F61-F103 HydrophobicContact CE1-CE1 3.9Å; F61-F103 HydrophobicContact CE1-CG 4.37Å; F61-F103 HydrophobicContact CE1-CZ 4.21Å; F61-F103 HydrophobicContact CZ-CE1 4.12Å; F61-F103 HydrophobicContact CZ-CE2 4.47Å; F61-F103 HydrophobicContact CZ-CZ 4.04Å
62	Y	97	Very high	95.6	Very high	84 Å²	84	51.9 Å²	51.9	33%	0.329	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.6	-174.8	176.9	-100.2	0	0	0	111.7	G32 F33 E65	G32-Y62 CarbonylContact C-O 3.58Å; G32-Y62 WeakPolarHBondContact CA-O 3.36Å; F33-Y62 HydrophobicContact CD1-CD1 4.13Å; F33-Y62 AromaticContact CE1-CD1 3.93Å; F33-Y62 HydrophobicContact CE1-CD1 3.93Å; F33-Y62 HydrophobicContact CE1-CG 4.09Å; F33-Y62 PolarHBondContact N-O 3.27Å; F33-Y62 PolarHBondContact O-N 2.87Å; F33-Y62 VanDerWaalsContact O-O 3.09Å; Y62-E65 WeakPolarHBondContact CE2-OE1 3.39Å; Y62-E65 PolarHBondContact OH-OE1 2.85Å; Y62-E65 PolarHBondContact OH-OE2 2.78Å
63	V	97.7	Very high	96.1	Very high	13 Å²	13	51.9 Å²	51.9	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.7	171.2	176	0	0	0	0	106.7	F61 E65 H67 Q68 C72 L76	F61-V63 HydrophobicContact CE2-CG2 4.45Å; V63-E65 PolarHBondContact O-N 3.04Å; V63-H67 HydrophobicContact CG1-CB 4.03Å; V63-Q68 HydrophobicContact CB-CG 4.19Å; V63-Q68 HydrophobicContact CG1-CG 4.19Å; V63-Q68 WeakPolarHBondContact O-CG 3.49Å; V63-Q68 PolarHBondContact O-NE2 3.4Å; V63-C72 HydrophobicContact CG1-CB 3.81Å; V63-L76 HydrophobicContact CG2-CD1 4.12Å
64	H	96.8	Very high	96.6	Very high	81 Å²	81	53.6 Å²	53.6	38%	0.375	27%	0.268	S	S	.	.			trans	-50.6	136.7	177.5	-173.4	-73.8	0	0	0	110.1	L31 A66 H67 Q68	L31-H64 WeakPolarHBondContact O-CB 3.31Å; L31-H64 PolarHBondContact O-N 3.03Å; H64-A66 VanDerWaalsContact C-N 3.33Å; H64-A66 PolarHBondContact ND1-N 2.72Å; H64-A66 PolarHBondContact O-N 3.31Å; H64-H67 AromaticContact ND1-ND1 3.86Å; H64-H67 CarbonylContact O-C 3.55Å; H64-H67 WeakPolarHBondContact O-CA 3.35Å; H64-H67 WeakPolarHBondContact O-CB 3.45Å; H64-H67 PolarHBondContact O-N 2.99Å; H64-Q68 PolarHBondContact O-N 2.97Å; H64-Q68 VanDerWaalsContact O-N 3.15Å
65	E	96.8	Very high	96.8	Very high	109 Å²	109	54.1 Å²	54.1	51%	0.509	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-56	-45.9	-166.9	-65.5	72	-157.9	0	0	111.5	Y62 V63 H67 Q68	Y62-E65 WeakPolarHBondContact CE2-OE1 3.39Å; Y62-E65 PolarHBondContact OH-OE1 2.85Å; Y62-E65 PolarHBondContact OH-OE2 2.78Å; V63-E65 PolarHBondContact O-N 3.04Å; E65-H67 PolarHBondContact O-N 2.88Å; E65-Q68 WeakPolarHBondContact O-CB 3.39Å; E65-Q68 PolarHBondContact O-N 3.06Å
66	A	95.5	Very high	97	Very high	57 Å²	57	53.5 Å²	53.5	47%	0.471	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.8	-14.3	175.2	0	0	0	0	0	114.8	H64 K70	H64-A66 VanDerWaalsContact C-N 3.33Å; H64-A66 PolarHBondContact ND1-N 2.72Å; H64-A66 PolarHBondContact O-N 3.31Å; A66-K70 VanDerWaalsContact O-CE 3.23Å; A66-K70 WeakPolarHBondContact O-CE 3.15Å; A66-K70 PolarHBondContact O-NZ 2.85Å
67	H	95.2	Very high	97.2	Very high	54 Å²	54	53 Å²	53	25%	0.25	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-115.4	-0.3	-178.9	-61.4	92	0	0	0	113.2	V63 H64 E65	V63-H67 HydrophobicContact CG1-CB 4.03Å; H64-H67 AromaticContact ND1-ND1 3.86Å; H64-H67 CarbonylContact O-C 3.55Å; H64-H67 WeakPolarHBondContact O-CA 3.35Å; H64-H67 WeakPolarHBondContact O-CB 3.45Å; H64-H67 PolarHBondContact O-N 2.99Å; E65-H67 PolarHBondContact O-N 2.88Å
68	Q	96.5	Very high	97.2	Very high	64 Å²	64	56.1 Å²	56.1	30%	0.299	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	150.4	174.2	-69.6	-179.1	14.5	0	0	110.8	V63 H64 E65 K70	V63-Q68 HydrophobicContact CB-CG 4.19Å; V63-Q68 HydrophobicContact CG1-CG 4.19Å; V63-Q68 WeakPolarHBondContact O-CG 3.49Å; V63-Q68 PolarHBondContact O-NE2 3.4Å; H64-Q68 PolarHBondContact O-N 2.97Å; H64-Q68 VanDerWaalsContact O-N 3.15Å; E65-Q68 WeakPolarHBondContact O-CB 3.39Å; E65-Q68 PolarHBondContact O-N 3.06Å; Q68-K70 PolarHBondContact O-N 3.32Å
69	R	96.4	Very high	97.2	Very high	188 Å²	188	58.9 Å²	58.9	71%	0.709	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	2.7	-178.2	-50.1	-57.8	-168.4	157.6	4.1	115.9
70	K	96.4	Very high	97.3	Very high	146 Å²	146	57.8 Å²	57.8	64%	0.635	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	21.6	173.8	-58.2	-177.7	-178	169.9	0	114.1	A66 Q68 C72	A66-K70 VanDerWaalsContact O-CE 3.23Å; A66-K70 WeakPolarHBondContact O-CE 3.15Å; A66-K70 PolarHBondContact O-NZ 2.85Å; Q68-K70 PolarHBondContact O-N 3.32Å; K70-C72 VanDerWaalsContact C-N 3.27Å; K70-C72 PolarHBondContact O-N 2.85Å
71	G	97.2	Very high	97.4	Very high	36 Å²	36	55.4 Å²	55.4	37%	0.371	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-7.6	-178.9	0	0	0	0	0	116.3	G73 K74 K75	G71-G73 PolarHBondContact O-N 2.92Å; G71-K74 PolarHBondContact O-N 3.39Å; G71-K74 VanDerWaalsContact O-N 3.08Å; G71-K75 PolarHBondContact O-N 3.44Å
72	C	97.6	Very high	97.4	Very high	11 Å²	11	61 Å²	61	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-54.4	-46.1	-179.1	-68.7	0	0	0	0	113.4	L22 V63 K70 K74 K75 L76	L22-C72 HydrophobicContact CD2-CB 3.56Å; V63-C72 HydrophobicContact CG1-CB 3.81Å; K70-C72 VanDerWaalsContact C-N 3.27Å; K70-C72 PolarHBondContact O-N 2.85Å; C72-K74 VanDerWaalsContact C-N 3.33Å; C72-K74 PolarHBondContact O-N 2.84Å; C72-K75 PolarHBondContact O-N 2.96Å; C72-L76 PolarHBondContact O-N 3.3Å
73	G	98.2	Very high	97.4	Very high	13 Å²	13	60.8 Å²	60.8	13%	0.134	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-37.7	177.8	0	0	0	0	0	113.3	G71 F77	G71-G73 PolarHBondContact O-N 2.92Å; G73-F77 WeakPolarHBondContact O-CB 3.46Å; G73-F77 PolarHBondContact O-N 3.31Å
74	K	98.5	Very high	97.2	Very high	47 Å²	47	63 Å²	63	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-44.4	176.2	-179.3	68.5	-169.7	-117	0	110.7	G71 C72 L76 F77 D78 F103 H107 Y108	G71-K74 PolarHBondContact O-N 3.39Å; G71-K74 VanDerWaalsContact O-N 3.08Å; C72-K74 VanDerWaalsContact C-N 3.33Å; C72-K74 PolarHBondContact O-N 2.84Å; K74-L76 PolarHBondContact O-N 2.87Å; K74-F77 PolarHBondContact O-N 3.41Å; K74-D78 WeakPolarHBondContact CE-OD1 3.32Å; K74-D78 WeakPolarHBondContact CE-OD2 3.41Å; K74-D78 WeakPolarHBondContact CG-OD2 3.26Å; K74-D78 IonicContact NZ-OD1 3.32Å; K74-D78 WeakPolarHBondContact O-CB 3.35Å; K74-D78 VanDerWaalsContact O-CG 3.29Å; K74-D78 PolarHBondContact O-N 3.08Å; K74-F103 HydrophobicContact CB-CE2 4.28Å; K74-H107 HydrophobicContact CD-CB 3.7Å; K74-H107 PolarHBondContact NZ-O 3.43Å; K74-Y108 HydrophobicContact CD-CE1 4.46Å; K74-Y108 HydrophobicContact CD-CE2 4.43Å; K74-Y108 WeakPolarHBondContact CD-OH 3.37Å; K74-Y108 WeakPolarHBondContact CE-OH 3.4Å
75	K	98.2	Very high	97.2	Very high	64 Å²	64	66.1 Å²	66.1	28%	0.278	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-48.5	176.6	-68.1	-176.8	173.6	-175.6	0	112.2	G71 C72 F77 F79 T227 I229	G71-K75 PolarHBondContact O-N 3.44Å; C72-K75 PolarHBondContact O-N 2.96Å; K75-F77 VanDerWaalsContact C-N 3.34Å; K75-F77 PolarHBondContact O-N 3.26Å; K75-F79 WeakPolarHBondContact O-CB 3.44Å; K75-F79 PolarHBondContact O-N 3.48Å; K75-T227 PolarHBondContact NZ-OG1 2.88Å; K75-I229 HydrophobicContact CB-CD1 4.01Å; K75-I229 WeakPolarHBondContact O-CD1 3.09Å
76	L	98.3	Very high	97.2	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-55.8	-49.7	175.9	-87.9	168.2	0	0	0	111.7	F20 L22 F61 V63 C72 K74 F79 M80 I229	F20-L76 HydrophobicContact CB-CD2 4.36Å; L22-L76 HydrophobicContact CB-CD1 3.97Å; L22-L76 HydrophobicContact CB-CD2 3.62Å; L22-L76 HydrophobicContact CB-CG 3.69Å; L22-L76 HydrophobicContact CD2-CD1 4.43Å; L22-L76 HydrophobicContact CD2-CG 4.33Å; F61-L76 HydrophobicContact CE2-CB 4.26Å; F61-L76 HydrophobicContact CE2-CD1 4.31Å; V63-L76 HydrophobicContact CG2-CD1 4.12Å; C72-L76 PolarHBondContact O-N 3.3Å; K74-L76 PolarHBondContact O-N 2.87Å; L76-F79 PolarHBondContact O-N 3Å; L76-M80 PolarHBondContact O-N 3.27Å; L76-I229 HydrophobicContact CD2-CG2 4.36Å
77	F	98.6	Very high	97.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-71.4	-41.1	-174	-152.5	-76.3	0	0	0	111.7	L34 V58 F61 G73 K74 K75 F79 M80 L81 L91 M100 F103 L104 Y108	L34-F77 HydrophobicContact CD1-CD2 4.45Å; L34-F77 HydrophobicContact CD2-CB 4.39Å; L34-F77 HydrophobicContact CD2-CD2 3.96Å; L34-F77 HydrophobicContact CD2-CG 4.32Å; V58-F77 HydrophobicContact CG2-CE2 3.99Å; V58-F77 HydrophobicContact CG2-CZ 4.04Å; F61-F77 HydrophobicContact CZ-CD2 4.45Å; G73-F77 WeakPolarHBondContact O-CB 3.46Å; G73-F77 PolarHBondContact O-N 3.31Å; K74-F77 PolarHBondContact O-N 3.41Å; K75-F77 VanDerWaalsContact C-N 3.34Å; K75-F77 PolarHBondContact O-N 3.26Å; F77-F79 VanDerWaalsContact C-N 3.35Å; F77-F79 PolarHBondContact O-N 3.18Å; F77-M80 HydrophobicContact CD1-CE 3.79Å; F77-M80 HydrophobicContact CD2-CE 4.23Å; F77-M80 HydrophobicContact CE1-CE 3.62Å; F77-M80 HydrophobicContact CE2-CE 4.07Å; F77-M80 HydrophobicContact CG-CE 4.1Å; F77-M80 HydrophobicContact CZ-CE 3.77Å; F77-M80 PolarHBondContact O-N 2.87Å; F77-L81 HydrophobicContact CD1-CD1 3.75Å; F77-L81 HydrophobicContact CD1-CD2 4.36Å; F77-L81 HydrophobicContact CD1-CG 3.88Å; F77-L81 HydrophobicContact CE1-CD1 4.04Å; F77-L81 HydrophobicContact CE1-CD2 4.02Å; F77-L81 HydrophobicContact CE1-CG 4.06Å; F77-L81 VanDerWaalsContact O-CG 3.27Å; F77-L81 WeakPolarHBondContact O-CG 3.46Å; F77-L81 PolarHBondContact O-N 3Å; F77-L91 HydrophobicContact CE1-CD1 3.88Å; F77-L91 HydrophobicContact CZ-CD1 3.77Å; F77-M100 HydrophobicContact CE2-CE 3.99Å; F77-F103 HydrophobicContact CB-CE1 4.1Å; F77-F103 HydrophobicContact CB-CZ 3.92Å; F77-F103 AromaticContact CD2-CE1 3.8Å; F77-F103 HydrophobicContact CD2-CE1 3.8Å; F77-F103 HydrophobicContact CD2-CZ 4.44Å; F77-F103 HydrophobicContact CE2-CE1 4.37Å; F77-F103 AromaticContact CG-CE1 3.92Å; F77-F103 HydrophobicContact CG-CE1 3.92Å; F77-F103 HydrophobicContact CG-CZ 4.26Å; F77-L104 HydrophobicContact CE1-CD2 4.24Å; F77-L104 HydrophobicContact CE2-CD2 4.15Å; F77-L104 HydrophobicContact CZ-CD2 3.73Å; F77-Y108 HydrophobicContact CB-CE2 4.44Å; F77-Y108 WeakPolarHBondContact CB-OH 3.48Å; F77-Y108 HydrophobicContact CD1-CD2 4.44Å; F77-Y108 HydrophobicContact CD1-CE1 4.46Å; F77-Y108 AromaticContact CD1-CE2 3.49Å; F77-Y108 HydrophobicContact CD1-CE2 3.49Å; F77-Y108 VanDerWaalsContact CD1-CE2 3.49Å; F77-Y108 AromaticContact CD1-CZ 3.51Å; F77-Y108 VanDerWaalsContact CD1-OH 3.32Å; F77-Y108 WeakPolarHBondContact CD1-OH 3.35Å; F77-Y108 HydrophobicContact CE1-CD2 4.44Å; F77-Y108 AromaticContact CE1-CE2 3.9Å; F77-Y108 HydrophobicContact CE1-CE2 3.9Å; F77-Y108 HydrophobicContact CG-CE2 4.05Å
78	D	98.5	Very high	97.4	Very high	67 Å²	67	62.3 Å²	62.3	36%	0.358	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-40.8	174.3	-74.3	-13.2	0	0	0	112.5	K74 L81 K82 Y108	K74-D78 WeakPolarHBondContact CE-OD1 3.32Å; K74-D78 WeakPolarHBondContact CE-OD2 3.41Å; K74-D78 WeakPolarHBondContact CG-OD2 3.26Å; K74-D78 IonicContact NZ-OD1 3.32Å; K74-D78 WeakPolarHBondContact O-CB 3.35Å; K74-D78 VanDerWaalsContact O-CG 3.29Å; K74-D78 PolarHBondContact O-N 3.08Å; D78-L81 PolarHBondContact O-N 3.04Å; D78-K82 WeakPolarHBondContact O-CB 3.27Å; D78-K82 PolarHBondContact O-N 3.47Å; D78-Y108 PolarHBondContact N-OH 3.28Å; D78-Y108 WeakPolarHBondContact OD1-CE1 3.39Å; D78-Y108 PolarHBondContact OD1-OH 3.18Å
79	F	98.2	Very high	97.4	Very high	60 Å²	60	59.8 Å²	59.8	26%	0.263	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-44.9	176.2	-173.6	-94.1	0	0	0	111.3	F20 K75 L76 F77 K82 I83 I229	F20-F79 AromaticContact CD1-CD1 3.73Å; F20-F79 HydrophobicContact CD1-CD1 3.73Å; F20-F79 AromaticContact CD1-CE1 3.93Å; F20-F79 HydrophobicContact CD1-CE1 3.93Å; F20-F79 HydrophobicContact CE1-CD1 4.14Å; F20-F79 HydrophobicContact CE1-CE1 4.21Å; K75-F79 WeakPolarHBondContact O-CB 3.44Å; K75-F79 PolarHBondContact O-N 3.48Å; L76-F79 PolarHBondContact O-N 3Å; F77-F79 VanDerWaalsContact C-N 3.35Å; F77-F79 PolarHBondContact O-N 3.18Å; F79-K82 PolarHBondContact O-N 3.26Å; F79-I83 HydrophobicContact CD1-CG1 3.98Å; F79-I83 HydrophobicContact CE1-CD1 4.22Å; F79-I83 HydrophobicContact CE1-CG1 3.62Å; F79-I83 HydrophobicContact CE2-CG1 4.49Å; F79-I83 HydrophobicContact CZ-CD1 4.02Å; F79-I83 HydrophobicContact CZ-CG1 3.92Å; F79-I83 WeakPolarHBondContact O-CG1 3.43Å; F79-I83 PolarHBondContact O-N 2.97Å; F79-I229 HydrophobicContact CB-CB 4.46Å; F79-I229 HydrophobicContact CB-CD1 3.76Å; F79-I229 HydrophobicContact CB-CG2 3.99Å; F79-I229 HydrophobicContact CD1-CB 4.09Å; F79-I229 HydrophobicContact CD1-CG2 3.28Å; F79-I229 HydrophobicContact CD2-CB 4.23Å; F79-I229 HydrophobicContact CD2-CG2 4.28Å; F79-I229 HydrophobicContact CE1-CB 4.35Å; F79-I229 HydrophobicContact CE1-CG2 3.72Å; F79-I229 HydrophobicContact CE2-CB 4.5Å; F79-I229 HydrophobicContact CG-CB 4Å; F79-I229 HydrophobicContact CG-CD1 4.18Å; F79-I229 HydrophobicContact CG-CG2 3.59Å; F79-I229 HydrophobicContact CZ-CG2 4.38Å
80	M	97.9	Very high	97.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-48.3	173.8	174.8	-80.3	-65.6	0	0	111.5	F20 L34 T36 V58 L76 F77 K82 I83 E84 L91	F20-M80 HydrophobicContact CD1-CB 4.42Å; F20-M80 HydrophobicContact CD2-CB 3.92Å; F20-M80 HydrophobicContact CD2-CG 3.84Å; F20-M80 HydrophobicContact CE1-CB 4.33Å; F20-M80 HydrophobicContact CE2-CB 3.84Å; F20-M80 HydrophobicContact CE2-CG 3.41Å; F20-M80 VanDerWaalsContact CE2-CG 3.41Å; F20-M80 HydrophobicContact CG-CB 4.21Å; F20-M80 HydrophobicContact CZ-CB 4.04Å; F20-M80 HydrophobicContact CZ-CG 3.84Å; L34-M80 HydrophobicContact CD2-CB 3.54Å; L34-M80 HydrophobicContact CD2-CE 3.87Å; L34-M80 HydrophobicContact CD2-CG 3.82Å; T36-M80 HydrophobicContact CG2-CG 3.75Å; T36-M80 HydrophobicContact CG2-SD 4.1Å; V58-M80 HydrophobicContact CG2-CE 4.3Å; L76-M80 PolarHBondContact O-N 3.27Å; F77-M80 HydrophobicContact CD1-CE 3.79Å; F77-M80 HydrophobicContact CD2-CE 4.23Å; F77-M80 HydrophobicContact CE1-CE 3.62Å; F77-M80 HydrophobicContact CE2-CE 4.07Å; F77-M80 HydrophobicContact CG-CE 4.1Å; F77-M80 HydrophobicContact CZ-CE 3.77Å; F77-M80 PolarHBondContact O-N 2.87Å; M80-K82 VanDerWaalsContact C-N 3.26Å; M80-K82 PolarHBondContact O-N 3.29Å; M80-I83 PolarHBondContact O-N 3.04Å; M80-E84 HydrophobicContact CG-CG 4.16Å; M80-E84 WeakPolarHBondContact O-CB 3.39Å; M80-E84 WeakPolarHBondContact O-CG 3.33Å; M80-E84 PolarHBondContact O-N 2.84Å; M80-E84 HydrophobicContact SD-CB 4.46Å; M80-E84 HydrophobicContact SD-CG 4.02Å; M80-L91 HydrophobicContact CE-CD1 3.93Å
81	L	98.3	Very high	97.4	Very high	19 Å²	19	47.3 Å²	47.3	10%	0.099	24%	0.239	C	C	.	.	H	α-helix	trans	-59	-38.5	178.6	-68.9	172.7	0	0	0	112.3	F77 D78 N85 I86 P88 L91 Y108	F77-L81 HydrophobicContact CD1-CD1 3.75Å; F77-L81 HydrophobicContact CD1-CD2 4.36Å; F77-L81 HydrophobicContact CD1-CG 3.88Å; F77-L81 HydrophobicContact CE1-CD1 4.04Å; F77-L81 HydrophobicContact CE1-CD2 4.02Å; F77-L81 HydrophobicContact CE1-CG 4.06Å; F77-L81 VanDerWaalsContact O-CG 3.27Å; F77-L81 WeakPolarHBondContact O-CG 3.46Å; F77-L81 PolarHBondContact O-N 3Å; D78-L81 PolarHBondContact O-N 3.04Å; L81-N85 WeakPolarHBondContact O-CA 3.31Å; L81-N85 PolarHBondContact O-N 3.3Å; L81-I86 HydrophobicContact CD2-CG2 3.84Å; L81-I86 WeakPolarHBondContact CD2-O 3.39Å; L81-I86 PolarHBondContact O-N 3.05Å; L81-P88 HydrophobicContact CD1-CB 4.14Å; L81-P88 HydrophobicContact CD1-CG 4.33Å; L81-P88 HydrophobicContact CD2-CB 4.06Å; L81-L91 HydrophobicContact CD2-CD1 3.86Å; L81-Y108 HydrophobicContact CD1-CD1 4.16Å; L81-Y108 HydrophobicContact CD1-CE1 3.46Å; L81-Y108 VanDerWaalsContact CD1-CE1 3.46Å
82	K	97.6	Very high	97.4	Very high	169 Å²	169	45.6 Å²	45.6	74%	0.735	22%	0.222	S	C	*	.	H	α-helix	trans	-66.2	-46.2	176.4	-178.2	-179.4	178.1	-179.7	0	111.9	D78 F79 M80 N85	D78-K82 WeakPolarHBondContact O-CB 3.27Å; D78-K82 PolarHBondContact O-N 3.47Å; F79-K82 PolarHBondContact O-N 3.26Å; M80-K82 VanDerWaalsContact C-N 3.26Å; M80-K82 PolarHBondContact O-N 3.29Å; K82-N85 PolarHBondContact O-N 3.47Å
83	I	96.3	Very high	97.4	Very high	78 Å²	78	45.2 Å²	45.2	40%	0.4	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-42.5	-179.4	-67.7	-62.5	0	0	0	111.3	F20 F79 M80 N85	F20-I83 HydrophobicContact CE1-CB 3.97Å; F20-I83 HydrophobicContact CE1-CG1 4.13Å; F20-I83 HydrophobicContact CE1-CG2 3.98Å; F20-I83 HydrophobicContact CZ-CB 4.31Å; F20-I83 HydrophobicContact CZ-CG2 4.15Å; F79-I83 HydrophobicContact CD1-CG1 3.98Å; F79-I83 HydrophobicContact CE1-CD1 4.22Å; F79-I83 HydrophobicContact CE1-CG1 3.62Å; F79-I83 HydrophobicContact CE2-CG1 4.49Å; F79-I83 HydrophobicContact CZ-CD1 4.02Å; F79-I83 HydrophobicContact CZ-CG1 3.92Å; F79-I83 WeakPolarHBondContact O-CG1 3.43Å; F79-I83 PolarHBondContact O-N 2.97Å; M80-I83 PolarHBondContact O-N 3.04Å; I83-N85 PolarHBondContact O-N 3.46Å
84	E	95	Very high	97.3	Very high	60 Å²	60	47.1 Å²	47.1	28%	0.28	23%	0.226	S	C	.	.	H	α-helix	trans	-80.2	-8.1	180	-62.8	-74.2	-177.2	0	0	112.7	F20 L56 M80 I86	F20-E84 HydrophobicContact CZ-CG 4.36Å; L56-E84 HydrophobicContact CD2-CB 3.74Å; L56-E84 HydrophobicContact CD2-CG 3.65Å; M80-E84 HydrophobicContact CG-CG 4.16Å; M80-E84 WeakPolarHBondContact O-CB 3.39Å; M80-E84 WeakPolarHBondContact O-CG 3.33Å; M80-E84 PolarHBondContact O-N 2.84Å; M80-E84 HydrophobicContact SD-CB 4.46Å; M80-E84 HydrophobicContact SD-CG 4.02Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 HydrophobicContact CB-CB 4.4Å; E84-I86 HydrophobicContact CB-CG2 3.8Å; E84-I86 PolarHBondContact O-N 3.47Å
85	N	95.9	Very high	97	Very high	146 Å²	146	50 Å²	50	78%	0.781	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.4	53.4	-175.6	-171.3	29.7	0	0	0	112.5	L81 K82 I83	L81-N85 WeakPolarHBondContact O-CA 3.31Å; L81-N85 PolarHBondContact O-N 3.3Å; K82-N85 PolarHBondContact O-N 3.47Å; I83-N85 PolarHBondContact O-N 3.46Å
86	I	95.7	Very high	96.8	Very high	28 Å²	28	48.1 Å²	48.1	14%	0.144	24%	0.238	C	C	.	.			trans	-129	140.1	-172.7	-164.2	168.3	0	0	0	111	L56 L81 E84 Y90 L91	L56-I86 HydrophobicContact CB-CD1 4.15Å; L56-I86 HydrophobicContact CD2-CD1 4.11Å; L56-I86 HydrophobicContact CD2-CG2 4.17Å; L81-I86 HydrophobicContact CD2-CG2 3.84Å; L81-I86 WeakPolarHBondContact CD2-O 3.39Å; L81-I86 PolarHBondContact O-N 3.05Å; E84-I86 VanDerWaalsContact C-N 3.3Å; E84-I86 HydrophobicContact CB-CB 4.4Å; E84-I86 HydrophobicContact CB-CG2 3.8Å; E84-I86 PolarHBondContact O-N 3.47Å; I86-Y90 HydrophobicContact CG1-CD2 4.28Å; I86-L91 HydrophobicContact CD1-CD2 4Å; I86-L91 HydrophobicContact CG2-CD2 4.12Å
87	H	97.2	Very high	96.7	Very high	99 Å²	99	51.4 Å²	51.4	46%	0.458	26%	0.26	S	S	.	.			trans	-74.8	137.3	170.3	-174.7	-93.2	0	0	0	109.7	S89 Y90	H87-S89 PolarHBondContact CE1-OG 3.24Å; H87-S89 VanDerWaalsContact CE1-OG 3.26Å; H87-S89 WeakPolarHBondContact ND1-CB 3.21Å; H87-S89 PolarHBondContact ND1-N 3.03Å; H87-S89 PolarHBondContact ND1-OG 3.06Å; H87-S89 PolarHBondContact O-N 3.49Å; H87-S89 VanDerWaalsContact O-N 3.13Å; H87-Y90 HydrophobicContact CB-CD2 3.59Å; H87-Y90 HydrophobicContact CB-CE2 3.54Å; H87-Y90 HydrophobicContact CB-CG 4.11Å; H87-Y90 WeakPolarHBondContact O-CB 3.36Å; H87-Y90 PolarHBondContact O-N 3.22Å
88	P	97.9	Very high	96.5	Very high	13 Å²	13	57 Å²	57	8%	0.084	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60.9	-26.7	-173.8	23.2	-36.5	0	0	0	114.4	L81 Y90 L91 Y108 L110	L81-P88 HydrophobicContact CD1-CB 4.14Å; L81-P88 HydrophobicContact CD1-CG 4.33Å; L81-P88 HydrophobicContact CD2-CB 4.06Å; P88-Y90 PolarHBondContact O-N 2.84Å; P88-L91 PolarHBondContact O-N 2.93Å; P88-Y108 HydrophobicContact CB-CD1 4.13Å; P88-Y108 HydrophobicContact CB-CG 4.02Å; P88-Y108 HydrophobicContact CG-CD1 3.75Å; P88-Y108 HydrophobicContact CG-CG 3.96Å; P88-L110 HydrophobicContact CB-CD1 4.19Å
89	S	96.7	Very high	96.4	Very high	12 Å²	12	60 Å²	60	8%	0.084	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-69.6	-12.3	175.2	70.3	0	0	0	0	113.9	H87 F126	H87-S89 PolarHBondContact CE1-OG 3.24Å; H87-S89 VanDerWaalsContact CE1-OG 3.26Å; H87-S89 WeakPolarHBondContact ND1-CB 3.21Å; H87-S89 PolarHBondContact ND1-N 3.03Å; H87-S89 PolarHBondContact ND1-OG 3.06Å; H87-S89 PolarHBondContact O-N 3.49Å; H87-S89 VanDerWaalsContact O-N 3.13Å; S89-F126 WeakPolarHBondContact O-CA 3.32Å; S89-F126 PolarHBondContact O-N 3.26Å; S89-F126 VanDerWaalsContact O-N 3.08Å
90	Y	96.5	Very high	96.4	Very high	70 Å²	70	57.7 Å²	57.7	28%	0.275	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-91.8	-1.5	-179.7	-54.5	-20.8	0	0	0	113.2	I86 H87 P88 G125 F126 K129	I86-Y90 HydrophobicContact CG1-CD2 4.28Å; H87-Y90 HydrophobicContact CB-CD2 3.59Å; H87-Y90 HydrophobicContact CB-CE2 3.54Å; H87-Y90 HydrophobicContact CB-CG 4.11Å; H87-Y90 WeakPolarHBondContact O-CB 3.36Å; H87-Y90 PolarHBondContact O-N 3.22Å; P88-Y90 PolarHBondContact O-N 2.84Å; Y90-G125 WeakPolarHBondContact CD1-O 3.03Å; Y90-G125 WeakPolarHBondContact CE1-O 3.49Å; Y90-F126 WeakPolarHBondContact O-CD2 3.45Å; Y90-K129 HydrophobicContact CD1-CB 3.76Å; Y90-K129 HydrophobicContact CD2-CB 3.88Å; Y90-K129 HydrophobicContact CD2-CD 3.86Å; Y90-K129 HydrophobicContact CD2-CG 4Å; Y90-K129 HydrophobicContact CE1-CB 4.19Å; Y90-K129 HydrophobicContact CE2-CB 4.31Å; Y90-K129 HydrophobicContact CE2-CD 4.2Å; Y90-K129 HydrophobicContact CG-CB 3.59Å; Y90-K129 HydrophobicContact CG-CD 4.4Å; Y90-K129 HydrophobicContact CG-CG 4.02Å
91	L	97.3	Very high	96.3	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.291	C	S	.	.			trans	-84.6	146.5	177.3	-64.7	167.8	0	0	0	110.9	L56 V58 F77 M80 L81 I86 P88 I93	L56-L91 HydrophobicContact CB-CD2 4.24Å; L56-L91 HydrophobicContact CD2-CD2 3.79Å; L56-L91 HydrophobicContact CG-CD2 3.96Å; V58-L91 HydrophobicContact CG2-CD1 4.15Å; F77-L91 HydrophobicContact CE1-CD1 3.88Å; F77-L91 HydrophobicContact CZ-CD1 3.77Å; M80-L91 HydrophobicContact CE-CD1 3.93Å; L81-L91 HydrophobicContact CD2-CD1 3.86Å; I86-L91 HydrophobicContact CD1-CD2 4Å; I86-L91 HydrophobicContact CG2-CD2 4.12Å; P88-L91 PolarHBondContact O-N 2.93Å; L91-I93 HydrophobicContact CB-CD1 3.95Å
92	A	96.8	Very high	96.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.6	159.7	0	0	0	0	0	109.5	L41 P55 L56 C57 V58 F120 I122 F126	L41-A92 HydrophobicContact CD1-CB 3.72Å; P55-A92 HydrophobicContact CG-CB 4.27Å; L56-A92 PolarHBondContact O-N 2.88Å; C57-A92 CarbonylContact C-O 3.49Å; C57-A92 WeakPolarHBondContact CA-O 3.43Å; V58-A92 PolarHBondContact N-O 2.94Å; A92-F120 HydrophobicContact CB-CD1 3.8Å; A92-F120 HydrophobicContact CB-CE1 4.49Å; A92-I122 HydrophobicContact CB-CG2 3.91Å; A92-F126 HydrophobicContact CB-CE2 3.9Å; A92-F126 HydrophobicContact CB-CZ 4.44Å
93	I	97.9	Very high	96.4	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.5	-177.6	-44.6	-61.5	0	0	0	108.8	V58 L91 P96 M100 L104 F120 V121	V58-I93 HydrophobicContact CB-CD1 3.72Å; V58-I93 HydrophobicContact CB-CG2 4.37Å; V58-I93 HydrophobicContact CG2-CD1 3.65Å; L91-I93 HydrophobicContact CB-CD1 3.95Å; I93-P96 HydrophobicContact CB-CB 4.47Å; I93-P96 HydrophobicContact CB-CG 4.49Å; I93-P96 HydrophobicContact CG2-CB 3.77Å; I93-P96 HydrophobicContact CG2-CG 4.27Å; I93-M100 HydrophobicContact CG2-CE 3.96Å; I93-M100 HydrophobicContact CG2-CG 4.14Å; I93-L104 HydrophobicContact CD1-CD1 4.31Å; I93-L104 HydrophobicContact CG1-CD1 3.93Å; I93-F120 CarbonylContact O-C 3.47Å; I93-F120 WeakPolarHBondContact O-CA 3.33Å; I93-V121 PolarHBondContact N-O 2.88Å; I93-V121 PolarHBondContact O-N 3.14Å
94	D	95.7	Very high	96.5	Very high	52 Å²	52	51.6 Å²	51.6	28%	0.278	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123	178.6	-164.8	-0.9	0	0	0	110.2	V58 L59 F120	V58-D94 WeakPolarHBondContact O-CB 3.29Å; V58-D94 PolarHBondContact O-N 3.09Å; L59-D94 HydrophobicContact CD2-CB 4.32Å; D94-F120 HydrophobicContact CB-CD1 4.16Å; D94-F120 HydrophobicContact CB-CE1 3.57Å; D94-F120 HydrophobicContact CB-CE2 4.45Å; D94-F120 HydrophobicContact CB-CZ 3.74Å
95	L	92.5	Very high	96.6	Very high	109 Å²	109	53.4 Å²	53.4	57%	0.571	27%	0.266	S	S	*	.	S	Bend	trans	43.5	53.1	172.5	-77.4	157.9	0	0	0	114.6	S97 N119	L95-S97 PolarHBondContact O-N 3.45Å; L95-N119 HydrophobicContact CD1-CB 4.37Å; L95-N119 HydrophobicContact CD2-CB 3.42Å; L95-N119 VanDerWaalsContact CD2-CB 3.42Å; L95-N119 HydrophobicContact CG-CB 3.55Å; L95-N119 PolarHBondContact N-O 2.86Å; L95-N119 VanDerWaalsContact N-O 3.14Å
96	P	94.4	Very high	96.7	Very high	24 Å²	24	53.2 Å²	53.2	16%	0.156	26%	0.258	C	S	.	.			trans	-64.7	130.1	-173.8	26.6	-34.6	0	0	0	111.9	I93 M100 I101 V121	I93-P96 HydrophobicContact CB-CB 4.47Å; I93-P96 HydrophobicContact CB-CG 4.49Å; I93-P96 HydrophobicContact CG2-CB 3.77Å; I93-P96 HydrophobicContact CG2-CG 4.27Å; P96-M100 HydrophobicContact CB-CB 4.01Å; P96-M100 HydrophobicContact CB-CG 3.81Å; P96-I101 HydrophobicContact CB-CD1 3.7Å; P96-I101 HydrophobicContact CB-CG1 4.09Å; P96-I101 HydrophobicContact CG-CD1 3.57Å; P96-I101 HydrophobicContact CG-CG1 4.22Å; P96-V121 HydrophobicContact CG-CB 3.73Å; P96-V121 HydrophobicContact CG-CG1 4.47Å; P96-V121 HydrophobicContact CG-CG2 3.36Å
97	S	95	Very high	96.8	Very high	68 Å²	68	54.3 Å²	54.3	48%	0.476	26%	0.262	S	S	.	.			trans	-64	160.6	167.2	71.9	0	0	0	0	111.3	L95 K99 M100 I101	L95-S97 PolarHBondContact O-N 3.45Å; S97-K99 PolarHBondContact O-N 2.94Å; S97-K99 PolarHBondContact OG-N 3.19Å; S97-M100 WeakPolarHBondContact O-CA 3.27Å; S97-M100 WeakPolarHBondContact O-CB 2.93Å; S97-M100 PolarHBondContact O-N 3.06Å; S97-M100 PolarHBondContact OG-N 3Å; S97-I101 PolarHBondContact O-N 3.29Å
98	K	95.3	Very high	96.9	Very high	119 Å²	119	50.9 Å²	50.9	52%	0.517	25%	0.245	S	C	.	.	H	α-helix	trans	-54.7	-36.2	171.4	-173.8	174.5	-177.9	173.3	0	112.5	M100 I101 Q102	K98-M100 VanDerWaalsContact C-N 3.33Å; K98-I101 PolarHBondContact O-N 3.45Å; K98-Q102 WeakPolarHBondContact O-CB 3.38Å; K98-Q102 VanDerWaalsContact O-CG 3.31Å; K98-Q102 WeakPolarHBondContact O-CG 3.27Å; K98-Q102 PolarHBondContact O-N 3.12Å
99	K	96.4	Very high	96.9	Very high	129 Å²	129	56.8 Å²	56.8	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-62.9	-40.2	175.2	-68	-178.9	-178.9	177.7	0	111.2	S97 F103	S97-K99 PolarHBondContact O-N 2.94Å; S97-K99 PolarHBondContact OG-N 3.19Å; K99-F103 VanDerWaalsContact O-CB 3.26Å; K99-F103 WeakPolarHBondContact O-CB 3.33Å; K99-F103 PolarHBondContact O-N 3.36Å
100	M	97.3	Very high	96.9	Very high	12 Å²	12	56.9 Å²	56.9	6%	0.059	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-48.9	176.2	-179.8	58.3	136.6	0	0	111.5	V58 F61 F77 I93 P96 S97 K98 Q102 F103 L104	V58-M100 HydrophobicContact CG1-CE 3.67Å; F61-M100 HydrophobicContact CB-CE 3.9Å; F61-M100 HydrophobicContact CD1-CE 3.67Å; F61-M100 HydrophobicContact CD1-SD 3.58Å; F61-M100 VanDerWaalsContact CD1-SD 3.58Å; F61-M100 HydrophobicContact CE1-SD 4.06Å; F61-M100 HydrophobicContact CG-CE 4.09Å; F77-M100 HydrophobicContact CE2-CE 3.99Å; I93-M100 HydrophobicContact CG2-CE 3.96Å; I93-M100 HydrophobicContact CG2-CG 4.14Å; P96-M100 HydrophobicContact CB-CB 4.01Å; P96-M100 HydrophobicContact CB-CG 3.81Å; S97-M100 WeakPolarHBondContact O-CA 3.27Å; S97-M100 WeakPolarHBondContact O-CB 2.93Å; S97-M100 PolarHBondContact O-N 3.06Å; S97-M100 PolarHBondContact OG-N 3Å; K98-M100 VanDerWaalsContact C-N 3.33Å; M100-Q102 VanDerWaalsContact C-N 3.32Å; M100-Q102 PolarHBondContact O-N 2.91Å; M100-F103 WeakPolarHBondContact O-CB 2.9Å; M100-F103 PolarHBondContact O-N 3.01Å; M100-F103 VanDerWaalsContact O-N 3.12Å; M100-F103 HydrophobicContact SD-CD1 4.06Å; M100-L104 HydrophobicContact CG-CD1 4.17Å; M100-L104 WeakPolarHBondContact O-CG 3.18Å; M100-L104 PolarHBondContact O-N 3.35Å; M100-L104 HydrophobicContact SD-CD1 4.29Å; M100-L104 HydrophobicContact SD-CD2 4.49Å; M100-L104 HydrophobicContact SD-CG 4.14Å
101	I	97.5	Very high	96.8	Very high	26 Å²	26	59.6 Å²	59.6	13%	0.133	28%	0.284	C	S	.	.	H	α-helix	trans	-56.6	-46.5	176.4	-63.4	-57.1	0	0	0	111.2	P96 S97 K98 F103 L104 Q105 V121	P96-I101 HydrophobicContact CB-CD1 3.7Å; P96-I101 HydrophobicContact CB-CG1 4.09Å; P96-I101 HydrophobicContact CG-CD1 3.57Å; P96-I101 HydrophobicContact CG-CG1 4.22Å; S97-I101 PolarHBondContact O-N 3.29Å; K98-I101 PolarHBondContact O-N 3.45Å; I101-F103 PolarHBondContact O-N 3.47Å; I101-L104 PolarHBondContact O-N 3.07Å; I101-Q105 WeakPolarHBondContact O-CB 3.48Å; I101-Q105 PolarHBondContact O-N 3.05Å; I101-V121 HydrophobicContact CD1-CG1 4.23Å
102	Q	97.8	Very high	96.5	Very high	87 Å²	87	65 Å²	65	41%	0.407	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-38.3	177	-73.1	177.9	-14.2	0	0	112.8	K98 M100 K106	K98-Q102 WeakPolarHBondContact O-CB 3.38Å; K98-Q102 VanDerWaalsContact O-CG 3.31Å; K98-Q102 WeakPolarHBondContact O-CG 3.27Å; K98-Q102 PolarHBondContact O-N 3.12Å; M100-Q102 VanDerWaalsContact C-N 3.32Å; M100-Q102 PolarHBondContact O-N 2.91Å; Q102-K106 VanDerWaalsContact O-CB 3.27Å; Q102-K106 WeakPolarHBondContact O-CB 3.32Å; Q102-K106 PolarHBondContact O-N 3.13Å
103	F	98.4	Very high	96.3	Very high	24 Å²	24	66.8 Å²	66.8	11%	0.105	33%	0.325	C	S	.	.	H	α-helix	trans	-61.1	-49	175.3	168.3	-95.2	0	0	0	110.9	F61 K74 F77 K99 M100 I101 K106 H107 Y108	F61-F103 AromaticContact CE1-CD1 4Å; F61-F103 HydrophobicContact CE1-CD1 4Å; F61-F103 AromaticContact CE1-CE1 3.9Å; F61-F103 HydrophobicContact CE1-CE1 3.9Å; F61-F103 HydrophobicContact CE1-CG 4.37Å; F61-F103 HydrophobicContact CE1-CZ 4.21Å; F61-F103 HydrophobicContact CZ-CE1 4.12Å; F61-F103 HydrophobicContact CZ-CE2 4.47Å; F61-F103 HydrophobicContact CZ-CZ 4.04Å; K74-F103 HydrophobicContact CB-CE2 4.28Å; F77-F103 HydrophobicContact CB-CE1 4.1Å; F77-F103 HydrophobicContact CB-CZ 3.92Å; F77-F103 AromaticContact CD2-CE1 3.8Å; F77-F103 HydrophobicContact CD2-CE1 3.8Å; F77-F103 HydrophobicContact CD2-CZ 4.44Å; F77-F103 HydrophobicContact CE2-CE1 4.37Å; F77-F103 AromaticContact CG-CE1 3.92Å; F77-F103 HydrophobicContact CG-CE1 3.92Å; F77-F103 HydrophobicContact CG-CZ 4.26Å; K99-F103 VanDerWaalsContact O-CB 3.26Å; K99-F103 WeakPolarHBondContact O-CB 3.33Å; K99-F103 PolarHBondContact O-N 3.36Å; M100-F103 WeakPolarHBondContact O-CB 2.9Å; M100-F103 PolarHBondContact O-N 3.01Å; M100-F103 VanDerWaalsContact O-N 3.12Å; M100-F103 HydrophobicContact SD-CD1 4.06Å; I101-F103 PolarHBondContact O-N 3.47Å; F103-K106 PolarHBondContact O-N 2.94Å; F103-H107 AromaticContact CD2-CD2 3.41Å; F103-H107 VanDerWaalsContact CD2-CD2 3.41Å; F103-H107 WeakPolarHBondContact CD2-CD2 3.44Å; F103-H107 AromaticContact CE2-CD2 3.53Å; F103-H107 WeakPolarHBondContact O-CB 3.41Å; F103-H107 PolarHBondContact O-CD2 3.45Å; F103-H107 PolarHBondContact O-N 2.95Å; F103-Y108 AromaticContact CE1-CE2 3.83Å; F103-Y108 HydrophobicContact CE1-CE2 3.83Å; F103-Y108 HydrophobicContact CZ-CE2 4.08Å
104	L	98.4	Very high	96	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-43.8	178.5	-67.4	174	0	0	0	112.1	F77 I93 M100 I101 Y108 H109 L110 Y123	F77-L104 HydrophobicContact CE1-CD2 4.24Å; F77-L104 HydrophobicContact CE2-CD2 4.15Å; F77-L104 HydrophobicContact CZ-CD2 3.73Å; I93-L104 HydrophobicContact CD1-CD1 4.31Å; I93-L104 HydrophobicContact CG1-CD1 3.93Å; M100-L104 HydrophobicContact CG-CD1 4.17Å; M100-L104 WeakPolarHBondContact O-CG 3.18Å; M100-L104 PolarHBondContact O-N 3.35Å; M100-L104 HydrophobicContact SD-CD1 4.29Å; M100-L104 HydrophobicContact SD-CD2 4.49Å; M100-L104 HydrophobicContact SD-CG 4.14Å; I101-L104 PolarHBondContact O-N 3.07Å; L104-Y108 HydrophobicContact CD2-CD2 4.06Å; L104-Y108 CarbonylContact O-C 3.48Å; L104-Y108 WeakPolarHBondContact O-CA 3.41Å; L104-Y108 WeakPolarHBondContact O-CB 3.37Å; L104-Y108 PolarHBondContact O-N 3.02Å; L104-H109 PolarHBondContact O-N 3.36Å; L104-L110 HydrophobicContact CB-CB 4.33Å; L104-L110 HydrophobicContact CB-CD1 4.25Å; L104-L110 HydrophobicContact CD2-CD1 4.33Å; L104-L110 PolarHBondContact O-N 3.43Å; L104-Y123 HydrophobicContact CD1-CE2 4.05Å
105	Q	98.1	Very high	95.6	Very high	98 Å²	98	68.5 Å²	68.5	46%	0.458	33%	0.329	S	S	.	.	H	α-helix	trans	-61.8	-46.3	175.9	-178.1	179.7	-12.1	0	0	112.1	I101 H109 L110 K111	I101-Q105 WeakPolarHBondContact O-CB 3.48Å; I101-Q105 PolarHBondContact O-N 3.05Å; Q105-H109 VanDerWaalsContact O-CA 3.31Å; Q105-H109 WeakPolarHBondContact O-CA 3.37Å; Q105-H109 PolarHBondContact O-N 2.88Å; Q105-L110 WeakPolarHBondContact CA-O 3.14Å; Q105-K111 HydrophobicContact CG-CG 4.27Å
106	K	98	Very high	95.1	Very high	142 Å²	142	63.8 Å²	63.8	62%	0.617	31%	0.305	S	S	*	.	H	α-helix	trans	-67.1	-43.2	-177.6	177.4	176.5	178.4	176.1	0	112.5	Q102 F103	Q102-K106 VanDerWaalsContact O-CB 3.27Å; Q102-K106 WeakPolarHBondContact O-CB 3.32Å; Q102-K106 PolarHBondContact O-N 3.13Å; F103-K106 PolarHBondContact O-N 2.94Å
107	H	98.4	Very high	94.1	Very high	50 Å²	50	65.1 Å²	65.1	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-100.5	-18.8	-166	-74.9	-65.1	0	0	0	114.8	K74 F103	K74-H107 HydrophobicContact CD-CB 3.7Å; K74-H107 PolarHBondContact NZ-O 3.43Å; F103-H107 AromaticContact CD2-CD2 3.41Å; F103-H107 VanDerWaalsContact CD2-CD2 3.41Å; F103-H107 WeakPolarHBondContact CD2-CD2 3.44Å; F103-H107 AromaticContact CE2-CD2 3.53Å; F103-H107 WeakPolarHBondContact O-CB 3.41Å; F103-H107 PolarHBondContact O-CD2 3.45Å; F103-H107 PolarHBondContact O-N 2.95Å
108	Y	98.3	Very high	93.4	Very high	27 Å²	27	62.6 Å²	62.6	11%	0.106	30%	0.295	C	S	.	.	H	α-helix	trans	-133.2	8.9	-176.9	-56.2	-70.2	0	0	0	112.7	K74 F77 D78 L81 P88 F103 L104 L110	K74-Y108 HydrophobicContact CD-CE1 4.46Å; K74-Y108 HydrophobicContact CD-CE2 4.43Å; K74-Y108 WeakPolarHBondContact CD-OH 3.37Å; K74-Y108 WeakPolarHBondContact CE-OH 3.4Å; F77-Y108 HydrophobicContact CB-CE2 4.44Å; F77-Y108 WeakPolarHBondContact CB-OH 3.48Å; F77-Y108 HydrophobicContact CD1-CD2 4.44Å; F77-Y108 HydrophobicContact CD1-CE1 4.46Å; F77-Y108 AromaticContact CD1-CE2 3.49Å; F77-Y108 HydrophobicContact CD1-CE2 3.49Å; F77-Y108 VanDerWaalsContact CD1-CE2 3.49Å; F77-Y108 AromaticContact CD1-CZ 3.51Å; F77-Y108 VanDerWaalsContact CD1-OH 3.32Å; F77-Y108 WeakPolarHBondContact CD1-OH 3.35Å; F77-Y108 HydrophobicContact CE1-CD2 4.44Å; F77-Y108 AromaticContact CE1-CE2 3.9Å; F77-Y108 HydrophobicContact CE1-CE2 3.9Å; F77-Y108 HydrophobicContact CG-CE2 4.05Å; D78-Y108 PolarHBondContact N-OH 3.28Å; D78-Y108 WeakPolarHBondContact OD1-CE1 3.39Å; D78-Y108 PolarHBondContact OD1-OH 3.18Å; L81-Y108 HydrophobicContact CD1-CD1 4.16Å; L81-Y108 HydrophobicContact CD1-CE1 3.46Å; L81-Y108 VanDerWaalsContact CD1-CE1 3.46Å; P88-Y108 HydrophobicContact CB-CD1 4.13Å; P88-Y108 HydrophobicContact CB-CG 4.02Å; P88-Y108 HydrophobicContact CG-CD1 3.75Å; P88-Y108 HydrophobicContact CG-CG 3.96Å; F103-Y108 AromaticContact CE1-CE2 3.83Å; F103-Y108 HydrophobicContact CE1-CE2 3.83Å; F103-Y108 HydrophobicContact CZ-CE2 4.08Å; L104-Y108 HydrophobicContact CD2-CD2 4.06Å; L104-Y108 CarbonylContact O-C 3.48Å; L104-Y108 WeakPolarHBondContact O-CA 3.41Å; L104-Y108 WeakPolarHBondContact O-CB 3.37Å; L104-Y108 PolarHBondContact O-N 3.02Å; Y108-L110 PolarHBondContact O-N 2.89Å
109	H	97.6	Very high	93	Very high	138 Å²	138	60.1 Å²	60.1	64%	0.639	29%	0.287	S	S	*	.			trans	56.2	23.6	178.3	-51.5	103.8	0	0	0	114.3	L104 Q105 K111	L104-H109 PolarHBondContact O-N 3.36Å; Q105-H109 VanDerWaalsContact O-CA 3.31Å; Q105-H109 WeakPolarHBondContact O-CA 3.37Å; Q105-H109 PolarHBondContact O-N 2.88Å; H109-K111 PolarHBondContact O-N 3.25Å; H109-K111 VanDerWaalsContact O-N 3.09Å
110	L	96.9	Very high	92.9	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.068	26%	0.264	C	S	.	.			trans	-76.6	99.4	179.4	-62.2	-173.8	0	0	0	110.1	P88 L104 Q105 Y108 Y123	P88-L110 HydrophobicContact CB-CD1 4.19Å; L104-L110 HydrophobicContact CB-CB 4.33Å; L104-L110 HydrophobicContact CB-CD1 4.25Å; L104-L110 HydrophobicContact CD2-CD1 4.33Å; L104-L110 PolarHBondContact O-N 3.43Å; Q105-L110 WeakPolarHBondContact CA-O 3.14Å; Y108-L110 PolarHBondContact O-N 2.89Å; L110-Y123 HydrophobicContact CB-CD1 3.69Å; L110-Y123 HydrophobicContact CB-CD2 4.24Å; L110-Y123 HydrophobicContact CB-CE1 3.53Å; L110-Y123 HydrophobicContact CB-CE2 4.1Å; L110-Y123 HydrophobicContact CB-CG 4.03Å; L110-Y123 HydrophobicContact CD1-CD2 3.8Å; L110-Y123 HydrophobicContact CD1-CE2 3.85Å; L110-Y123 HydrophobicContact CD1-CG 4.22Å; L110-Y123 HydrophobicContact CD2-CG 4.35Å; L110-Y123 HydrophobicContact CG-CD2 4.47Å; L110-Y123 HydrophobicContact CG-CG 4.43Å; L110-Y123 WeakPolarHBondContact O-CE1 3.43Å
111	K	94	Very high	92.7	Very high	127 Å²	127	54.3 Å²	54.3	55%	0.552	26%	0.262	S	S	*	.			trans	-106.4	161.7	178.7	-63.3	178.2	-176.1	177.6	0	110.6	Q105 H109	Q105-K111 HydrophobicContact CG-CG 4.27Å; H109-K111 PolarHBondContact O-N 3.25Å; H109-K111 VanDerWaalsContact O-N 3.09Å
112	N	92.4	Very high	92.5	Very high	114 Å²	114	53 Å²	53	61%	0.61	26%	0.255	S	S	*	.	S	Bend	trans	56.9	60.9	175	-49.7	-39.6	0	0	0	113.6
113	P	92.7	Very high	92.3	Very high	38 Å²	38	49 Å²	49	25%	0.247	24%	0.236	C	C	.	.			trans	-56.3	141.1	177.8	24.9	-33.7	0	0	0	111.5	Y115 V121 Y123	P113-Y115 HydrophobicContact CB-CE2 4Å; P113-Y115 HydrophobicContact CG-CE2 3.7Å; P113-V121 HydrophobicContact CB-CG1 3.43Å; P113-V121 VanDerWaalsContact CB-CG1 3.43Å; P113-Y123 HydrophobicContact CB-CE1 3.92Å
114	I	90.6	Very high	91.8	Very high	20 Å²	20	51.8 Å²	51.8	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.7	173.8	-57.7	168.9	0	0	0	106.8	R46 V121 I122 F127	R46-I114 HydrophobicContact CG-CD1 4.13Å; R46-I114 HydrophobicContact CG-CG1 4.46Å; I114-V121 WeakPolarHBondContact O-CA 3.4Å; I114-I122 HydrophobicContact CB-CG1 3.8Å; I114-I122 HydrophobicContact CG2-CD1 4.4Å; I114-I122 HydrophobicContact CG2-CG1 4.13Å; I114-I122 PolarHBondContact N-O 3.19Å; I114-I122 PolarHBondContact O-N 3.45Å; I114-F127 HydrophobicContact CD1-CE2 4.3Å
115	Y	88	Confident	91.4	Very high	73 Å²	73	52 Å²	52	29%	0.286	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.8	-179.8	-64.9	-90.3	0	0	0	110	P113 V121 M277	P113-Y115 HydrophobicContact CB-CE2 4Å; P113-Y115 HydrophobicContact CG-CE2 3.7Å; Y115-V121 HydrophobicContact CD1-CG2 3.34Å; Y115-V121 HydrophobicContact CE1-CG2 3.46Å; Y115-V121 VanDerWaalsContact CE1-CG2 3.46Å; Y115-V121 HydrophobicContact CG-CG2 4.24Å; Y115-M277 HydrophobicContact CE1-CE 4.45Å
116	S	82.1	Confident	91.2	Very high	10 Å²	10	47.3 Å²	47.3	7%	0.07	24%	0.239	C	C	.	.			trans	-103.5	153.1	174.5	-67.7	0	0	0	0	111	N118 N119 F120	S116-N118 WeakPolarHBondContact CB-OD1 3.49Å; S116-N118 PolarHBondContact O-N 2.81Å; S116-N118 VanDerWaalsContact O-N 3.15Å; S116-N119 PolarHBondContact O-N 3.11Å; S116-F120 WeakPolarHBondContact CB-O 3.38Å; S116-F120 PolarHBondContact N-O 3.21Å
117	P	73.8	Confident	90.8	Very high	52 Å²	52	41.3 Å²	41.3	34%	0.338	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.3	179.7	-23.8	34	0	0	0	114.7	N119 Y295	P117-N119 PolarHBondContact O-N 2.97Å; P117-Y295 HydrophobicContact CB-CD1 4.24Å; P117-Y295 HydrophobicContact CB-CG 3.95Å
118	N	79.9	Confident	90.3	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.08	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	12.5	174.3	65	-4.6	0	0	0	113.7	S116 F120 Y295	S116-N118 WeakPolarHBondContact CB-OD1 3.49Å; S116-N118 PolarHBondContact O-N 2.81Å; S116-N118 VanDerWaalsContact O-N 3.15Å; N118-F120 HydrophobicContact CB-CD2 4.33Å; N118-F120 WeakPolarHBondContact O-CD2 3.28Å; N118-F120 PolarHBondContact O-N 3.49Å; N118-F120 WeakPolarHBondContact OD1-CB 3.48Å; N118-F120 PolarHBondContact OD1-N 2.92Å; N118-F120 VanDerWaalsContact OD1-N 3.09Å; N118-Y295 HydrophobicContact CB-CD2 4.17Å; N118-Y295 HydrophobicContact CB-CE1 4.12Å; N118-Y295 HydrophobicContact CB-CE2 3.49Å; N118-Y295 VanDerWaalsContact CB-CE2 3.49Å; N118-Y295 VanDerWaalsContact CB-CZ 3.43Å; N118-Y295 WeakPolarHBondContact CB-OH 3.37Å
119	N	86.7	Confident	89.7	Confident	67 Å²	67	46.6 Å²	46.6	36%	0.358	24%	0.24	S	C	.	.	S	Bend	trans	66.1	3.1	-175.1	-55	-56.5	0	0	0	116.5	L95 S116 P117	L95-N119 HydrophobicContact CD1-CB 4.37Å; L95-N119 HydrophobicContact CD2-CB 3.42Å; L95-N119 VanDerWaalsContact CD2-CB 3.42Å; L95-N119 HydrophobicContact CG-CB 3.55Å; L95-N119 PolarHBondContact N-O 2.86Å; L95-N119 VanDerWaalsContact N-O 3.14Å; S116-N119 PolarHBondContact O-N 3.11Å; P117-N119 PolarHBondContact O-N 2.97Å
120	F	93	Very high	89.1	Confident	17 Å²	17	40.8 Å²	40.8	8%	0.075	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.4	170.2	-77.3	-97.3	0	0	0	110.6	L41 C57 L59 A92 I93 D94 S116 N118	L41-F120 HydrophobicContact CD1-CB 4.29Å; L41-F120 HydrophobicContact CD1-CD1 3.74Å; L41-F120 HydrophobicContact CD1-CD2 4.23Å; L41-F120 HydrophobicContact CD1-CE1 4.11Å; L41-F120 HydrophobicContact CD1-CG 3.8Å; L41-F120 HydrophobicContact CD2-CD1 4.47Å; L41-F120 HydrophobicContact CD2-CD2 3.8Å; L41-F120 HydrophobicContact CD2-CE1 4.32Å; L41-F120 HydrophobicContact CD2-CE2 3.63Å; L41-F120 HydrophobicContact CD2-CG 4.23Å; L41-F120 HydrophobicContact CD2-CZ 3.91Å; C57-F120 HydrophobicContact CB-CE1 3.88Å; L59-F120 HydrophobicContact CD2-CE1 4.49Å; L59-F120 HydrophobicContact CD2-CZ 4.44Å; A92-F120 HydrophobicContact CB-CD1 3.8Å; A92-F120 HydrophobicContact CB-CE1 4.49Å; I93-F120 CarbonylContact O-C 3.47Å; I93-F120 WeakPolarHBondContact O-CA 3.33Å; D94-F120 HydrophobicContact CB-CD1 4.16Å; D94-F120 HydrophobicContact CB-CE1 3.57Å; D94-F120 HydrophobicContact CB-CE2 4.45Å; D94-F120 HydrophobicContact CB-CZ 3.74Å; S116-F120 WeakPolarHBondContact CB-O 3.38Å; S116-F120 PolarHBondContact N-O 3.21Å; N118-F120 HydrophobicContact CB-CD2 4.33Å; N118-F120 WeakPolarHBondContact O-CD2 3.28Å; N118-F120 PolarHBondContact O-N 3.49Å; N118-F120 WeakPolarHBondContact OD1-CB 3.48Å; N118-F120 PolarHBondContact OD1-N 2.92Å; N118-F120 VanDerWaalsContact OD1-N 3.09Å
121	V	93.6	Very high	88.3	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.8	172	178.7	0	0	0	0	109.1	I93 P96 I101 P113 I114 Y115 Y123	I93-V121 PolarHBondContact N-O 2.88Å; I93-V121 PolarHBondContact O-N 3.14Å; P96-V121 HydrophobicContact CG-CB 3.73Å; P96-V121 HydrophobicContact CG-CG1 4.47Å; P96-V121 HydrophobicContact CG-CG2 3.36Å; I101-V121 HydrophobicContact CD1-CG1 4.23Å; P113-V121 HydrophobicContact CB-CG1 3.43Å; P113-V121 VanDerWaalsContact CB-CG1 3.43Å; I114-V121 WeakPolarHBondContact O-CA 3.4Å; Y115-V121 HydrophobicContact CD1-CG2 3.34Å; Y115-V121 HydrophobicContact CE1-CG2 3.46Å; Y115-V121 VanDerWaalsContact CE1-CG2 3.46Å; Y115-V121 HydrophobicContact CG-CG2 4.24Å; V121-Y123 HydrophobicContact CG1-CE2 4.44Å
122	I	94.6	Very high	87.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	169	177	65.6	-178.4	0	0	0	109.8	V43 A92 I114 F126 F127	V43-I122 HydrophobicContact CB-CD1 4.1Å; V43-I122 HydrophobicContact CG1-CD1 4.37Å; V43-I122 HydrophobicContact CG2-CD1 4.47Å; A92-I122 HydrophobicContact CB-CG2 3.91Å; I114-I122 HydrophobicContact CB-CG1 3.8Å; I114-I122 HydrophobicContact CG2-CD1 4.4Å; I114-I122 HydrophobicContact CG2-CG1 4.13Å; I114-I122 PolarHBondContact N-O 3.19Å; I114-I122 PolarHBondContact O-N 3.45Å; I122-F126 HydrophobicContact CB-CB 3.98Å; I122-F126 HydrophobicContact CB-CD1 4.15Å; I122-F126 HydrophobicContact CB-CD2 4.11Å; I122-F126 HydrophobicContact CB-CG 3.81Å; I122-F126 HydrophobicContact CD1-CD1 3.74Å; I122-F126 HydrophobicContact CD1-CE1 4.22Å; I122-F126 HydrophobicContact CD1-CG 4.26Å; I122-F126 HydrophobicContact CG1-CD1 4.48Å; I122-F126 HydrophobicContact CG2-CD1 4.07Å; I122-F126 HydrophobicContact CG2-CD2 3.84Å; I122-F126 HydrophobicContact CG2-CE1 4.16Å; I122-F126 HydrophobicContact CG2-CE2 3.96Å; I122-F126 HydrophobicContact CG2-CG 3.9Å; I122-F126 HydrophobicContact CG2-CZ 4.12Å; I122-F127 HydrophobicContact CD1-CE1 4.39Å; I122-F127 HydrophobicContact CD1-CE2 3.48Å; I122-F127 VanDerWaalsContact CD1-CE2 3.48Å; I122-F127 HydrophobicContact CD1-CZ 3.4Å; I122-F127 HydrophobicContact CG1-CE2 4.48Å
123	Y	93.6	Very high	85.9	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.012	21%	0.214	C	C	.	.			trans	-123.1	165	176.7	-67.4	-88.4	0	0	0	110.1	L104 L110 P113 V121 G125 F126	L104-Y123 HydrophobicContact CD1-CE2 4.05Å; L110-Y123 HydrophobicContact CB-CD1 3.69Å; L110-Y123 HydrophobicContact CB-CD2 4.24Å; L110-Y123 HydrophobicContact CB-CE1 3.53Å; L110-Y123 HydrophobicContact CB-CE2 4.1Å; L110-Y123 HydrophobicContact CB-CG 4.03Å; L110-Y123 HydrophobicContact CD1-CD2 3.8Å; L110-Y123 HydrophobicContact CD1-CE2 3.85Å; L110-Y123 HydrophobicContact CD1-CG 4.22Å; L110-Y123 HydrophobicContact CD2-CG 4.35Å; L110-Y123 HydrophobicContact CG-CD2 4.47Å; L110-Y123 HydrophobicContact CG-CG 4.43Å; L110-Y123 WeakPolarHBondContact O-CE1 3.43Å; P113-Y123 HydrophobicContact CB-CE1 3.92Å; V121-Y123 HydrophobicContact CG1-CE2 4.44Å; Y123-G125 PolarHBondContact O-N 3.4Å; Y123-G125 VanDerWaalsContact O-N 3.11Å; Y123-F126 WeakPolarHBondContact O-CB 3.27Å; Y123-F126 PolarHBondContact O-N 3.21Å
124	S	87.1	Confident	84.5	Confident	81 Å²	81	39.5 Å²	39.5	57%	0.566	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-40.2	-171.7	53.4	0	0	0	0	113.9	F126	S124-F126 PolarHBondContact O-N 2.96Å; S124-F126 VanDerWaalsContact O-N 3.16Å
125	G	90.4	Very high	82.9	Confident	5 Å²	5	41.4 Å²	41.4	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	-66	-14.4	178.9	0	0	0	0	0	114.8	Y90 Y123 F127 D128 K129	Y90-G125 WeakPolarHBondContact CD1-O 3.03Å; Y90-G125 WeakPolarHBondContact CE1-O 3.49Å; Y123-G125 PolarHBondContact O-N 3.4Å; Y123-G125 VanDerWaalsContact O-N 3.11Å; G125-F127 VanDerWaalsContact C-N 3.25Å; G125-F127 PolarHBondContact O-N 3.29Å; G125-D128 WeakPolarHBondContact CA-OD2 3.49Å; G125-D128 WeakPolarHBondContact O-CB 3.44Å; G125-D128 PolarHBondContact O-N 2.96Å; G125-D128 VanDerWaalsContact O-N 3.15Å; G125-K129 PolarHBondContact O-N 3.19Å
126	F	93.6	Very high	81	Confident	1 Å²	1	40 Å²	40	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-55	-42.6	-179.8	-179.1	-95	0	0	0	112.3	V43 P55 S89 Y90 A92 I122 Y123 S124 K129 I130	V43-F126 HydrophobicContact CG1-CE1 4.34Å; V43-F126 HydrophobicContact CG2-CE1 3.77Å; P55-F126 HydrophobicContact CB-CE2 3.61Å; P55-F126 HydrophobicContact CB-CZ 3.69Å; P55-F126 HydrophobicContact CG-CE2 4.06Å; P55-F126 HydrophobicContact CG-CZ 3.78Å; S89-F126 WeakPolarHBondContact O-CA 3.32Å; S89-F126 PolarHBondContact O-N 3.26Å; S89-F126 VanDerWaalsContact O-N 3.08Å; Y90-F126 WeakPolarHBondContact O-CD2 3.45Å; A92-F126 HydrophobicContact CB-CE2 3.9Å; A92-F126 HydrophobicContact CB-CZ 4.44Å; I122-F126 HydrophobicContact CB-CB 3.98Å; I122-F126 HydrophobicContact CB-CD1 4.15Å; I122-F126 HydrophobicContact CB-CD2 4.11Å; I122-F126 HydrophobicContact CB-CG 3.81Å; I122-F126 HydrophobicContact CD1-CD1 3.74Å; I122-F126 HydrophobicContact CD1-CE1 4.22Å; I122-F126 HydrophobicContact CD1-CG 4.26Å; I122-F126 HydrophobicContact CG1-CD1 4.48Å; I122-F126 HydrophobicContact CG2-CD1 4.07Å; I122-F126 HydrophobicContact CG2-CD2 3.84Å; I122-F126 HydrophobicContact CG2-CE1 4.16Å; I122-F126 HydrophobicContact CG2-CE2 3.96Å; I122-F126 HydrophobicContact CG2-CG 3.9Å; I122-F126 HydrophobicContact CG2-CZ 4.12Å; Y123-F126 WeakPolarHBondContact O-CB 3.27Å; Y123-F126 PolarHBondContact O-N 3.21Å; S124-F126 PolarHBondContact O-N 2.96Å; S124-F126 VanDerWaalsContact O-N 3.16Å; F126-K129 PolarHBondContact O-N 2.9Å; F126-I130 HydrophobicContact CD1-CD1 3.74Å; F126-I130 HydrophobicContact CE1-CD1 3.2Å; F126-I130 HydrophobicContact CE1-CG1 4.3Å; F126-I130 HydrophobicContact CZ-CD1 3.81Å; F126-I130 PolarHBondContact O-N 3.16Å
127	F	89.6	Confident	78.9	Confident	16 Å²	16	45.2 Å²	45.2	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-73.8	-31.5	-179.1	-64.5	-76.1	0	0	0	112.8	V43 D45 V51 I114 I122 G125 K129 I130 F131	V43-F127 HydrophobicContact CG2-CE1 3.77Å; V43-F127 HydrophobicContact CG2-CZ 4.14Å; D45-F127 HydrophobicContact CB-CD2 4.39Å; D45-F127 HydrophobicContact CB-CE1 4.05Å; D45-F127 HydrophobicContact CB-CE2 3.92Å; D45-F127 HydrophobicContact CB-CZ 3.73Å; V51-F127 HydrophobicContact CG2-CE1 4.45Å; I114-F127 HydrophobicContact CD1-CE2 4.3Å; I122-F127 HydrophobicContact CD1-CE1 4.39Å; I122-F127 HydrophobicContact CD1-CE2 3.48Å; I122-F127 VanDerWaalsContact CD1-CE2 3.48Å; I122-F127 HydrophobicContact CD1-CZ 3.4Å; I122-F127 HydrophobicContact CG1-CE2 4.48Å; G125-F127 VanDerWaalsContact C-N 3.25Å; G125-F127 PolarHBondContact O-N 3.29Å; F127-K129 PolarHBondContact O-N 3.38Å; F127-I130 HydrophobicContact CD1-CD1 4.49Å; F127-I130 PolarHBondContact O-N 3.04Å; F127-I130 VanDerWaalsContact O-N 3.09Å; F127-F131 HydrophobicContact CB-CD2 4.09Å; F127-F131 HydrophobicContact CB-CE2 3.72Å; F127-F131 WeakPolarHBondContact O-CD2 3.26Å; F127-F131 WeakPolarHBondContact O-CG 3.44Å; F127-F131 PolarHBondContact O-N 2.81Å
128	D	87.6	Confident	77.2	Confident	91 Å²	91	47.5 Å²	47.5	49%	0.487	26%	0.264	S	S	.	.	H	α-helix	trans	-57.1	-42.8	175.1	-56.4	-25.4	0	0	0	110.4	G125 I130 F131 C132	G125-D128 WeakPolarHBondContact CA-OD2 3.49Å; G125-D128 WeakPolarHBondContact O-CB 3.44Å; G125-D128 PolarHBondContact O-N 2.96Å; G125-D128 VanDerWaalsContact O-N 3.15Å; D128-I130 PolarHBondContact O-N 2.67Å; D128-F131 PolarHBondContact O-N 3.38Å; D128-C132 VanDerWaalsContact O-CB 3.3Å; D128-C132 WeakPolarHBondContact O-CB 3.36Å; D128-C132 PolarHBondContact O-N 3.27Å; D128-C132 PolarHBondContact O-SG 2.91Å
129	K	86.5	Confident	75.1	Confident	97 Å²	97	55.5 Å²	55.5	42%	0.422	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-42.1	176.5	-179	62.2	174.8	-173.6	0	112.5	Y90 G125 F126 F127 H133	Y90-K129 HydrophobicContact CD1-CB 3.76Å; Y90-K129 HydrophobicContact CD2-CB 3.88Å; Y90-K129 HydrophobicContact CD2-CD 3.86Å; Y90-K129 HydrophobicContact CD2-CG 4Å; Y90-K129 HydrophobicContact CE1-CB 4.19Å; Y90-K129 HydrophobicContact CE2-CB 4.31Å; Y90-K129 HydrophobicContact CE2-CD 4.2Å; Y90-K129 HydrophobicContact CG-CB 3.59Å; Y90-K129 HydrophobicContact CG-CD 4.4Å; Y90-K129 HydrophobicContact CG-CG 4.02Å; G125-K129 PolarHBondContact O-N 3.19Å; F126-K129 PolarHBondContact O-N 2.9Å; F127-K129 PolarHBondContact O-N 3.38Å; K129-H133 WeakPolarHBondContact O-CB 3.3Å; K129-H133 PolarHBondContact O-N 2.62Å; K129-H133 VanDerWaalsContact O-N 3.16Å
130	I	83.7	Confident	72.4	Confident	15 Å²	15	59.4 Å²	59.4	8%	0.077	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-48.4	180	-68	176.9	0	0	0	110.1	V51 C53 F126 F127 D128 H133 S134 I151	V51-I130 HydrophobicContact CG1-CG2 4.04Å; C53-I130 HydrophobicContact CB-CD1 3.82Å; C53-I130 HydrophobicContact CB-CG1 4.37Å; C53-I130 VanDerWaalsContact SG-CD1 3.59Å; F126-I130 HydrophobicContact CD1-CD1 3.74Å; F126-I130 HydrophobicContact CE1-CD1 3.2Å; F126-I130 HydrophobicContact CE1-CG1 4.3Å; F126-I130 HydrophobicContact CZ-CD1 3.81Å; F126-I130 PolarHBondContact O-N 3.16Å; F127-I130 HydrophobicContact CD1-CD1 4.49Å; F127-I130 PolarHBondContact O-N 3.04Å; F127-I130 VanDerWaalsContact O-N 3.09Å; D128-I130 PolarHBondContact O-N 2.67Å; I130-H133 PolarHBondContact O-N 3.39Å; I130-S134 PolarHBondContact O-N 3.18Å; I130-S134 VanDerWaalsContact O-N 3.16Å; I130-I151 HydrophobicContact CG2-CD1 3.52Å; I130-I151 HydrophobicContact CG2-CG1 4.04Å; I130-I151 HydrophobicContact CG2-CG2 4.11Å; I130-I151 VanDerWaalsContact O-CD1 3.28Å; I130-I151 WeakPolarHBondContact O-CD1 3.44Å
131	F	80.2	Confident	69.7	Low	63 Å²	63	65.2 Å²	65.2	28%	0.276	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-36.6	-177.2	-62.6	-51.8	0	0	0	113	F127 D128 H133 S134 L135 I153	F127-F131 HydrophobicContact CB-CD2 4.09Å; F127-F131 HydrophobicContact CB-CE2 3.72Å; F127-F131 WeakPolarHBondContact O-CD2 3.26Å; F127-F131 WeakPolarHBondContact O-CG 3.44Å; F127-F131 PolarHBondContact O-N 2.81Å; D128-F131 PolarHBondContact O-N 3.38Å; F131-H133 VanDerWaalsContact C-N 3.3Å; F131-H133 PolarHBondContact O-N 3.45Å; F131-S134 WeakPolarHBondContact CA-OG 3.35Å; F131-S134 PolarHBondContact O-N 3.46Å; F131-S134 PolarHBondContact O-OG 2.99Å; F131-L135 WeakPolarHBondContact O-CB 3.21Å; F131-L135 WeakPolarHBondContact O-CD1 3.43Å; F131-L135 WeakPolarHBondContact O-CG 3.36Å; F131-L135 PolarHBondContact O-N 3.46Å; F131-I153 HydrophobicContact CE1-CD1 3.99Å
132	C	71.9	Confident	66.6	Low	86 Å²	86	69.4 Å²	69.4	58%	0.581	38%	0.383	S	S	*	.	H	α-helix	trans	-62.3	-38	172.7	-74.4	0	0	0	0	112	D128 L135 G136	D128-C132 VanDerWaalsContact O-CB 3.3Å; D128-C132 WeakPolarHBondContact O-CB 3.36Å; D128-C132 PolarHBondContact O-N 3.27Å; D128-C132 PolarHBondContact O-SG 2.91Å; C132-L135 PolarHBondContact O-N 3.47Å; C132-G136 PolarHBondContact O-N 3.01Å
133	H	64.9	Low	63.7	Low	81 Å²	81	76.5 Å²	76.5	38%	0.375	43%	0.427	S	S	.	.	H	α-helix	trans	-64.4	-41.1	175	-165.2	-85.6	0	0	0	111.7	K129 I130 F131 M137	K129-H133 WeakPolarHBondContact O-CB 3.3Å; K129-H133 PolarHBondContact O-N 2.62Å; K129-H133 VanDerWaalsContact O-N 3.16Å; I130-H133 PolarHBondContact O-N 3.39Å; F131-H133 VanDerWaalsContact C-N 3.3Å; F131-H133 PolarHBondContact O-N 3.45Å; H133-M137 VanDerWaalsContact O-CG 3.3Å; H133-M137 WeakPolarHBondContact O-CG 3.37Å; H133-M137 PolarHBondContact O-N 2.9Å
134	S	63.1	Low	60.7	Low	35 Å²	35	81.5 Å²	81.5	25%	0.245	46%	0.458	C	S	.	.	H	α-helix	trans	-66.4	-43.8	175.6	50.8	0	0	0	0	113	I130 F131 G136 M137 I138	I130-S134 PolarHBondContact O-N 3.18Å; I130-S134 VanDerWaalsContact O-N 3.16Å; F131-S134 WeakPolarHBondContact CA-OG 3.35Å; F131-S134 PolarHBondContact O-N 3.46Å; F131-S134 PolarHBondContact O-OG 2.99Å; S134-G136 PolarHBondContact O-N 3.2Å; S134-M137 PolarHBondContact O-N 2.88Å; S134-I138 WeakPolarHBondContact O-CG1 3.49Å; S134-I138 PolarHBondContact O-N 3Å
135	L	57.1	Low	58.2	Low	60 Å²	60	84.1 Å²	84.1	31%	0.314	47%	0.473	S	S	.	.	H	α-helix	trans	-70.1	-32.4	-177.2	-73.9	157.5	0	0	0	112.7	F131 C132 M137 I138 Y203	F131-L135 WeakPolarHBondContact O-CB 3.21Å; F131-L135 WeakPolarHBondContact O-CD1 3.43Å; F131-L135 WeakPolarHBondContact O-CG 3.36Å; F131-L135 PolarHBondContact O-N 3.46Å; C132-L135 PolarHBondContact O-N 3.47Å; L135-M137 VanDerWaalsContact C-N 3.31Å; L135-M137 PolarHBondContact O-N 3.49Å; L135-I138 PolarHBondContact O-N 3.36Å; L135-Y203 HydrophobicContact CD1-CE1 4.49Å; L135-Y203 WeakPolarHBondContact CD1-OH 3.38Å
136	G	47.1	Very low	55.5	Low	43 Å²	43	87.7 Å²	87.7	44%	0.443	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-33.6	173.7	0	0	0	0	0	113.3	C132 S134	C132-G136 PolarHBondContact O-N 3.01Å; S134-G136 PolarHBondContact O-N 3.2Å
137	M	39.1	Very low	52.8	Low	121 Å²	121	97.3 Å²	97.3	60%	0.596	54%	0.542	S	S	*	.	H	α-helix	trans	-77.2	-25.6	177.8	-62.8	-72.7	90.3	0	0	113.4	H133 S134 L135 K139	H133-M137 VanDerWaalsContact O-CG 3.3Å; H133-M137 WeakPolarHBondContact O-CG 3.37Å; H133-M137 PolarHBondContact O-N 2.9Å; S134-M137 PolarHBondContact O-N 2.88Å; L135-M137 VanDerWaalsContact C-N 3.31Å; L135-M137 PolarHBondContact O-N 3.49Å; M137-K139 VanDerWaalsContact C-N 3.27Å; M137-K139 PolarHBondContact O-N 3.41Å
138	I	38.4	Very low	50.4	Low	99 Å²	99	100.9 Å²	100.9	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-71.5	-24.3	177.3	-64.7	168.7	0	0	0	111.4	S134 L135 Y200	S134-I138 WeakPolarHBondContact O-CG1 3.49Å; S134-I138 PolarHBondContact O-N 3Å; L135-I138 PolarHBondContact O-N 3.36Å; I138-Y200 WeakPolarHBondContact CG2-OH 3.36Å
139	K	36	Very low	48.1	Very low	184 Å²	184	99.6 Å²	99.6	80%	0.8	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-6.1	-174.7	-74.6	-168.4	176.9	-173	0	115.8	M137	M137-K139 VanDerWaalsContact C-N 3.27Å; M137-K139 PolarHBondContact O-N 3.41Å
140	Q	29.4	Very low	46.2	Very low	149 Å²	149	100.3 Å²	100.3	70%	0.696	57%	0.573	S	S	*	*			trans	-143.8	118.8	174.6	-66.2	-162.9	41.5	0	0	112.5	S142	Q140-S142 PolarHBondContact O-N 2.91Å; Q140-S142 VanDerWaalsContact O-N 3.14Å
141	P	35.4	Very low	44.6	Very low	138 Å²	138	101.7 Å²	101.7	90%	0.896	58%	0.581	S	S	*	*			trans	-75.3	99.1	166.3	29.5	-27.8	0	0	0	108.3
142	S	30	Very low	43.7	Very low	89 Å²	89	103.2 Å²	103.2	62%	0.622	59%	0.588	S	S	*	*			trans	-114.7	127.3	169.1	61.2	0	0	0	0	110.3	Q140 T144	Q140-S142 PolarHBondContact O-N 2.91Å; Q140-S142 VanDerWaalsContact O-N 3.14Å; S142-T144 VanDerWaalsContact C-N 3.34Å; S142-T144 PolarHBondContact O-N 2.97Å
143	T	33.4	Very low	43.2	Very low	150 Å²	150	102.8 Å²	102.8	92%	0.92	58%	0.58	S	S	*	*			trans	-76.2	74	179.4	21.1	0	0	0	0	110.6
144	T	30.2	Very low	42.8	Very low	107 Å²	107	100.8 Å²	100.8	66%	0.656	57%	0.569	S	S	*	*			trans	-145.3	133.8	154.3	53.5	0	0	0	0	110.4	S142 S146	S142-T144 VanDerWaalsContact C-N 3.34Å; S142-T144 PolarHBondContact O-N 2.97Å; T144-S146 PolarHBondContact O-N 3.33Å; T144-S146 VanDerWaalsContact O-N 3.08Å
145	P	35.3	Very low	42.4	Very low	137 Å²	137	101.9 Å²	101.9	89%	0.89	57%	0.57	S	S	*	*			trans	-78.5	94.8	176.5	7.2	9	0	0	0	108.9
146	S	33.1	Very low	42	Very low	80 Å²	80	100.7 Å²	100.7	56%	0.559	57%	0.565	S	S	*	*			trans	-86.6	132.1	163.7	53.5	0	0	0	0	108.9	T144 I148	T144-S146 PolarHBondContact O-N 3.33Å; T144-S146 VanDerWaalsContact O-N 3.08Å; S146-I148 PolarHBondContact O-N 2.88Å
147	E	36.6	Very low	42.1	Very low	203 Å²	203	103.6 Å²	103.6	95%	0.949	57%	0.571	S	S	*	*	S	Bend	trans	-66	24.5	-170.8	-66.5	-177.7	143.9	0	0	115.8	S149	E147-S149 PolarHBondContact O-N 3.35Å
148	I	40.5	Very low	42.6	Very low	90 Å²	90	102.1 Å²	102.1	46%	0.462	57%	0.565	S	S	.	*			trans	-93.9	98.1	176.9	-52.2	176.2	0	0	0	107.6	S146	S146-I148 PolarHBondContact O-N 2.88Å
149	S	38.7	Very low	43	Very low	64 Å²	64	97.9 Å²	97.9	45%	0.448	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-48	133.3	172.6	53.9	0	0	0	0	110.6	E147 I151	E147-S149 PolarHBondContact O-N 3.35Å; S149-I151 PolarHBondContact O-N 3.18Å
150	P	45.6	Very low	43.5	Very low	112 Å²	112	91.7 Å²	91.7	73%	0.727	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-51.2	134.1	174.5	-24.2	31.8	0	0	0	110.6	Q152	P150-Q152 PolarHBondContact O-N 3.36Å; P150-Q152 VanDerWaalsContact O-N 3.16Å
151	I	51.6	Low	44.4	Very low	45 Å²	45	88.9 Å²	88.9	23%	0.231	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-55.5	121	177	-71.5	152.6	0	0	0	108.7	V51 I130 S149 I153	V51-I151 HydrophobicContact CG1-CG2 3.62Å; I130-I151 HydrophobicContact CG2-CD1 3.52Å; I130-I151 HydrophobicContact CG2-CG1 4.04Å; I130-I151 HydrophobicContact CG2-CG2 4.11Å; I130-I151 VanDerWaalsContact O-CD1 3.28Å; I130-I151 WeakPolarHBondContact O-CD1 3.44Å; S149-I151 PolarHBondContact O-N 3.18Å; I151-I153 HydrophobicContact CG2-CG1 4.05Å
152	Q	60.1	Low	45.1	Very low	94 Å²	94	87.7 Å²	87.7	44%	0.439	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	113.7	174.4	-57.4	-143.8	-64.5	0	0	109.1	E52 P150 W154	E52-Q152 HydrophobicContact CB-CB 4.3Å; E52-Q152 PolarHBondContact N-O 3.12Å; E52-Q152 VanDerWaalsContact N-O 3.09Å; P150-Q152 PolarHBondContact O-N 3.36Å; P150-Q152 VanDerWaalsContact O-N 3.16Å; Q152-W154 HydrophobicContact CB-CZ2 4.26Å; Q152-W154 VanDerWaalsContact OE1-CZ2 3.3Å
153	I	61.1	Low	45.6	Very low	77 Å²	77	88.5 Å²	88.5	40%	0.395	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.4	175	-57.1	176.7	0	0	0	107.4	V49 F131 I151	V49-I153 HydrophobicContact CG1-CG2 3.55Å; F131-I153 HydrophobicContact CE1-CD1 3.99Å; I151-I153 HydrophobicContact CG2-CG1 4.05Å
154	W	57.1	Low	46	Very low	39 Å²	39	89.3 Å²	89.3	15%	0.148	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	106.4	177.4	-54	89.2	0	0	0	109.2	C50 Q152 L159 H302	C50-W154 HydrophobicContact CB-CB 4.22Å; C50-W154 PolarHBondContact N-O 2.86Å; C50-W154 VanDerWaalsContact N-O 3.13Å; C50-W154 PolarHBondContact O-N 3.06Å; Q152-W154 HydrophobicContact CB-CZ2 4.26Å; Q152-W154 VanDerWaalsContact OE1-CZ2 3.3Å; W154-L159 HydrophobicContact CB-CD1 3.66Å; W154-L159 HydrophobicContact CB-CG 4.31Å; W154-L159 HydrophobicContact CD2-CD2 4.35Å; W154-L159 HydrophobicContact CE3-CD1 4.29Å; W154-L159 HydrophobicContact CE3-CD2 3.46Å; W154-L159 VanDerWaalsContact CE3-CD2 3.46Å; W154-L159 HydrophobicContact CE3-CG 3.89Å; W154-L159 HydrophobicContact CG-CD1 4.37Å; W154-L159 HydrophobicContact CZ3-CD2 3.85Å; W154-H302 AromaticContact CE2-CE1 3.85Å; W154-H302 AromaticContact CE2-NE2 3.57Å; W154-H302 AromaticContact CZ2-CE1 3.38Å; W154-H302 WeakPolarHBondContact CZ2-CE1 2.99Å; W154-H302 AromaticContact CZ2-NE2 3.38Å; W154-H302 WeakPolarHBondContact CZ2-NE2 3.46Å; W154-H302 AromaticContact NE1-CE1 3.86Å; W154-H302 AromaticContact NE1-NE2 3.62Å
155	H	55	Low	46.4	Very low	59 Å²	59	90 Å²	90	27%	0.273	46%	0.462	S	S	.	.			trans	-73	143.5	165.1	-65.9	-73.9	0	0	0	109.5	N157 D158 L159	H155-N157 PolarHBondContact O-N 3.15Å; H155-D158 HydrophobicContact CB-CB 4.36Å; H155-D158 WeakPolarHBondContact CB-OD2 3.44Å; H155-D158 IonicContact CD2-OD2 3.35Å; H155-D158 PolarHBondContact CD2-OD2 2.96Å; H155-D158 IonicContact CG-OD2 3.77Å; H155-D158 PolarHBondContact O-N 3.09Å; H155-L159 PolarHBondContact O-N 2.95Å
156	T	48.2	Very low	46.7	Very low	34 Å²	34	87.8 Å²	87.8	21%	0.209	44%	0.442	C	S	.	.	H	α-helix	trans	-54.7	-38.4	173.3	49.3	0	0	0	0	111.3	I160 T292	T156-I160 WeakPolarHBondContact O-CD1 3.38Å; T156-I160 VanDerWaalsContact O-CG1 3.24Å; T156-I160 WeakPolarHBondContact O-CG1 3.35Å; T156-I160 PolarHBondContact O-N 3.29Å; T156-I160 VanDerWaalsContact O-N 3.12Å; T156-T292 HydrophobicContact CG2-CG2 4.32Å
157	N	48.7	Very low	47.3	Very low	105 Å²	105	89.5 Å²	89.5	56%	0.561	45%	0.445	S	S	*	.	H	α-helix	trans	-68.7	-42.2	-178.7	-63.9	-9.8	0	0	0	112.7	H155 L159 I160 N161	H155-N157 PolarHBondContact O-N 3.15Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 3.5Å; N157-I160 PolarHBondContact O-N 3.04Å; N157-N161 PolarHBondContact O-N 2.92Å; N157-N161 PolarHBondContact O-ND2 2.92Å
158	D	51.4	Low	47.7	Very low	89 Å²	89	84.3 Å²	84.3	48%	0.476	42%	0.423	S	S	.	.	H	α-helix	trans	-65.7	-33.9	180	-62	-21.8	0	0	0	111.9	H155 N161 K162	H155-D158 HydrophobicContact CB-CB 4.36Å; H155-D158 WeakPolarHBondContact CB-OD2 3.44Å; H155-D158 IonicContact CD2-OD2 3.35Å; H155-D158 PolarHBondContact CD2-OD2 2.96Å; H155-D158 IonicContact CG-OD2 3.77Å; H155-D158 PolarHBondContact O-N 3.09Å; D158-N161 PolarHBondContact O-N 3.32Å; D158-K162 WeakPolarHBondContact O-CB 3.36Å; D158-K162 PolarHBondContact O-N 2.84Å
159	L	46.4	Very low	47.8	Very low	11 Å²	11	84.5 Å²	84.5	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-75	-35.2	176.4	-77	164.6	0	0	0	113.5	W154 H155 N157 N161 K162 R163 Y293	W154-L159 HydrophobicContact CB-CD1 3.66Å; W154-L159 HydrophobicContact CB-CG 4.31Å; W154-L159 HydrophobicContact CD2-CD2 4.35Å; W154-L159 HydrophobicContact CE3-CD1 4.29Å; W154-L159 HydrophobicContact CE3-CD2 3.46Å; W154-L159 VanDerWaalsContact CE3-CD2 3.46Å; W154-L159 HydrophobicContact CE3-CG 3.89Å; W154-L159 HydrophobicContact CG-CD1 4.37Å; W154-L159 HydrophobicContact CZ3-CD2 3.85Å; H155-L159 PolarHBondContact O-N 2.95Å; N157-L159 VanDerWaalsContact C-N 3.28Å; N157-L159 PolarHBondContact O-N 3.5Å; L159-N161 VanDerWaalsContact C-N 3.27Å; L159-K162 PolarHBondContact O-N 2.82Å; L159-R163 WeakPolarHBondContact O-CB 3.33Å; L159-R163 PolarHBondContact O-N 2.78Å; L159-Y293 HydrophobicContact CB-CD2 4.4Å; L159-Y293 VanDerWaalsContact CD1-CB 3.49Å; L159-Y293 HydrophobicContact CD1-CD1 3.62Å; L159-Y293 HydrophobicContact CD1-CD2 3.4Å; L159-Y293 HydrophobicContact CD1-CE1 4.03Å; L159-Y293 HydrophobicContact CD1-CE2 3.84Å; L159-Y293 HydrophobicContact CD1-CG 3.25Å; L159-Y293 HydrophobicContact CD2-CD2 4.11Å; L159-Y293 HydrophobicContact CD2-CE2 3.79Å; L159-Y293 HydrophobicContact CG-CD2 4.21Å; L159-Y293 HydrophobicContact CG-CE2 4.39Å; L159-Y293 HydrophobicContact CG-CG 4.48Å
160	I	45.7	Very low	47.5	Very low	53 Å²	53	86.7 Å²	86.7	27%	0.272	44%	0.435	S	S	.	.	H	α-helix	trans	-61.4	-42.6	171.2	-68.7	162.2	0	0	0	109.3	T156 N157 R163 R164 Q291	T156-I160 WeakPolarHBondContact O-CD1 3.38Å; T156-I160 VanDerWaalsContact O-CG1 3.24Å; T156-I160 WeakPolarHBondContact O-CG1 3.35Å; T156-I160 PolarHBondContact O-N 3.29Å; T156-I160 VanDerWaalsContact O-N 3.12Å; N157-I160 PolarHBondContact O-N 3.04Å; I160-R163 PolarHBondContact O-N 3.39Å; I160-R164 PolarHBondContact O-N 2.7Å; I160-Q291 HydrophobicContact CD1-CB 3.87Å; I160-Q291 HydrophobicContact CD1-CG 4.01Å
161	N	48	Very low	47.2	Very low	90 Å²	90	85.6 Å²	85.6	48%	0.481	43%	0.426	S	S	.	.	H	α-helix	trans	-67.8	-44.9	177.2	-69.4	-20.9	0	0	0	112.2	N157 D158 L159 R163 R164 M165	N157-N161 PolarHBondContact O-N 2.92Å; N157-N161 PolarHBondContact O-ND2 2.92Å; D158-N161 PolarHBondContact O-N 3.32Å; L159-N161 VanDerWaalsContact C-N 3.27Å; N161-R163 VanDerWaalsContact C-N 3.28Å; N161-R163 PolarHBondContact O-N 3.29Å; N161-R164 PolarHBondContact O-N 2.83Å; N161-M165 WeakPolarHBondContact O-CG 3.47Å; N161-M165 PolarHBondContact O-N 3.15Å
162	K	50.5	Low	46.5	Very low	114 Å²	114	89.7 Å²	89.7	50%	0.496	45%	0.449	S	S	.	.	H	α-helix	trans	-60.9	-36.7	175.1	-166.8	171.1	-174.7	174	0	112.1	D158 L159 M165 N166	D158-K162 WeakPolarHBondContact O-CB 3.36Å; D158-K162 PolarHBondContact O-N 2.84Å; L159-K162 PolarHBondContact O-N 2.82Å; K162-M165 PolarHBondContact O-N 3.13Å; K162-N166 WeakPolarHBondContact O-CB 3.49Å; K162-N166 PolarHBondContact O-N 2.98Å
163	R	40	Very low	45.5	Very low	106 Å²	106	93.4 Å²	93.4	40%	0.4	47%	0.466	S	S	.	.	H	α-helix	trans	-68.3	-43.3	172.4	-86.1	-175.1	159.6	124.4	-3.9	113	L159 I160 N161 M165 N166 L167 N297	L159-R163 WeakPolarHBondContact O-CB 3.33Å; L159-R163 PolarHBondContact O-N 2.78Å; I160-R163 PolarHBondContact O-N 3.39Å; N161-R163 VanDerWaalsContact C-N 3.28Å; N161-R163 PolarHBondContact O-N 3.29Å; R163-M165 VanDerWaalsContact C-N 3.27Å; R163-M165 PolarHBondContact O-N 3.32Å; R163-N166 PolarHBondContact O-N 3.38Å; R163-L167 WeakPolarHBondContact O-CB 3.01Å; R163-L167 WeakPolarHBondContact O-CG 3.31Å; R163-L167 PolarHBondContact O-N 3.27Å; R163-N297 PolarHBondContact NH1-ND2 3.35Å; R163-N297 VanDerWaalsContact NH2-CG 3.29Å; R163-N297 PolarHBondContact NH2-ND2 3.02Å; R163-N297 PolarHBondContact NH2-OD1 2.93Å
164	R	42.8	Very low	43.9	Very low	167 Å²	167	96 Å²	96	63%	0.63	48%	0.48	S	S	*	.	H	α-helix	trans	-57.5	-44.5	173.2	-84.7	-176.7	83.4	101.4	-5.2	110.4	I160 N161 L167 L168	I160-R164 PolarHBondContact O-N 2.7Å; N161-R164 PolarHBondContact O-N 2.83Å; R164-L167 PolarHBondContact O-N 2.93Å; R164-L168 WeakPolarHBondContact O-CB 3.33Å; R164-L168 WeakPolarHBondContact O-CD1 3.43Å; R164-L168 PolarHBondContact O-N 3.24Å
165	M	38	Very low	42.9	Very low	122 Å²	122	102 Å²	102	60%	0.601	51%	0.51	S	S	*	.	H	α-helix	trans	-64.8	-45.6	178	-67.6	-60	174	0	0	112.5	N161 K162 R163 L167 L168 V169	N161-M165 WeakPolarHBondContact O-CG 3.47Å; N161-M165 PolarHBondContact O-N 3.15Å; K162-M165 PolarHBondContact O-N 3.13Å; R163-M165 VanDerWaalsContact C-N 3.27Å; R163-M165 PolarHBondContact O-N 3.32Å; M165-L167 VanDerWaalsContact C-N 3.33Å; M165-L167 PolarHBondContact O-N 3.08Å; M165-L168 PolarHBondContact O-N 2.68Å; M165-V169 VanDerWaalsContact O-CG2 3.26Å; M165-V169 WeakPolarHBondContact O-CG2 3.43Å; M165-V169 PolarHBondContact O-N 3.48Å
166	N	41.1	Very low	41.8	Very low	89 Å²	89	106.4 Å²	106.4	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-65.6	-33.9	176.3	-74	-7.3	0	0	0	112.9	K162 R163 N170	K162-N166 WeakPolarHBondContact O-CB 3.49Å; K162-N166 PolarHBondContact O-N 2.98Å; R163-N166 PolarHBondContact O-N 3.38Å; N166-N170 VanDerWaalsContact O-CB 3.31Å; N166-N170 WeakPolarHBondContact O-CB 3.47Å; N166-N170 PolarHBondContact O-N 3.05Å
167	L	45.6	Very low	40.9	Very low	116 Å²	116	111.2 Å²	111.2	61%	0.607	56%	0.56	S	S	*	*	H	α-helix	trans	-67.3	-44.8	173	-80.8	163.2	0	0	0	111.2	R163 R164 M165 V169 N170 T171	R163-L167 WeakPolarHBondContact O-CB 3.01Å; R163-L167 WeakPolarHBondContact O-CG 3.31Å; R163-L167 PolarHBondContact O-N 3.27Å; R164-L167 PolarHBondContact O-N 2.93Å; M165-L167 VanDerWaalsContact C-N 3.33Å; M165-L167 PolarHBondContact O-N 3.08Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 2.97Å; L167-N170 PolarHBondContact O-N 3.22Å; L167-T171 PolarHBondContact O-N 3.24Å; L167-T171 PolarHBondContact O-OG1 3.13Å
168	L	44.7	Very low	39.9	Very low	94 Å²	94	112.9 Å²	112.9	49%	0.492	57%	0.568	S	S	.	*	H	α-helix	trans	-59.7	-41	174.8	-91.4	145.4	0	0	0	112.3	R164 M165 T171 N172	R164-L168 WeakPolarHBondContact O-CB 3.33Å; R164-L168 WeakPolarHBondContact O-CD1 3.43Å; R164-L168 PolarHBondContact O-N 3.24Å; M165-L168 PolarHBondContact O-N 2.68Å; L168-T171 VanDerWaalsContact C-OG1 3.31Å; L168-T171 VanDerWaalsContact CA-OG1 3.27Å; L168-T171 WeakPolarHBondContact CA-OG1 3.46Å; L168-T171 PolarHBondContact O-OG1 2.83Å; L168-N172 PolarHBondContact O-N 2.83Å
169	V	44.2	Very low	38.8	Very low	94 Å²	94	116 Å²	116	57%	0.57	58%	0.58	S	S	*	*	H	α-helix	trans	-70.4	-40	176.8	174.2	0	0	0	0	111.4	M165 L167 N172	M165-V169 VanDerWaalsContact O-CG2 3.26Å; M165-V169 WeakPolarHBondContact O-CG2 3.43Å; M165-V169 PolarHBondContact O-N 3.48Å; L167-V169 VanDerWaalsContact C-N 3.34Å; L167-V169 PolarHBondContact O-N 2.97Å; V169-N172 PolarHBondContact O-N 3.02Å
170	N	31.2	Very low	38.1	Very low	111 Å²	111	124.8 Å²	124.8	59%	0.594	61%	0.614	S	S	*	*	H	α-helix	trans	-72.6	-28.4	177.1	-79.1	-2.2	0	0	0	113.2	N166 L167 N172 H173	N166-N170 VanDerWaalsContact O-CB 3.31Å; N166-N170 WeakPolarHBondContact O-CB 3.47Å; N166-N170 PolarHBondContact O-N 3.05Å; L167-N170 PolarHBondContact O-N 3.22Å; N170-N172 VanDerWaalsContact C-N 3.27Å; N170-N172 PolarHBondContact O-N 3.09Å; N170-H173 PolarHBondContact O-N 3.09Å
171	T	40.5	Very low	37.1	Very low	89 Å²	89	128.4 Å²	128.4	55%	0.546	63%	0.633	S	S	.	*	H	α-helix	trans	-68.6	-26	171.7	39.9	0	0	0	0	112.4	L167 L168 H173	L167-T171 PolarHBondContact O-N 3.24Å; L167-T171 PolarHBondContact O-OG1 3.13Å; L168-T171 VanDerWaalsContact C-OG1 3.31Å; L168-T171 VanDerWaalsContact CA-OG1 3.27Å; L168-T171 WeakPolarHBondContact CA-OG1 3.46Å; L168-T171 PolarHBondContact O-OG1 2.83Å; T171-H173 PolarHBondContact O-N 3.22Å
172	N	37	Very low	36.1	Very low	131 Å²	131	131.6 Å²	131.6	70%	0.701	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-1.2	176.4	-73.7	-5.7	0	0	0	114.1	L168 V169 N170	L168-N172 PolarHBondContact O-N 2.83Å; V169-N172 PolarHBondContact O-N 3.02Å; N170-N172 VanDerWaalsContact C-N 3.27Å; N170-N172 PolarHBondContact O-N 3.09Å
173	H	37.6	Very low	34.9	Very low	171 Å²	171	132.6 Å²	132.6	79%	0.792	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	2	174.3	-93.5	16.7	0	0	0	114.8	N170 T171	N170-H173 PolarHBondContact O-N 3.09Å; T171-H173 PolarHBondContact O-N 3.22Å
174	N	28.6	Very low	34.3	Very low	131 Å²	131	133.7 Å²	133.7	70%	0.701	69%	0.685	S	S	*	*	S	Bend	trans	-118	101.5	174.7	-84.5	-26.2	0	0	0	111.6
175	H	36.4	Very low	33.5	Very low	167 Å²	167	131.4 Å²	131.4	77%	0.773	69%	0.69	S	S	*	*			trans	72.5	104.2	155	-92.3	-58.9	0	0	0	119.9	N177	H175-N177 PolarHBondContact O-N 3.32Å; H175-N177 VanDerWaalsContact O-N 3.16Å
176	N	31.6	Very low	33	Very low	150 Å²	150	131.7 Å²	131.7	80%	0.802	70%	0.704	S	S	*	*				-32.4	111.6	128.8	-70.8	-21.5	0	0	0	110.1
177	N	28.5	Very low	32.2	Very low	135 Å²	135	135.2 Å²	135.2	72%	0.722	72%	0.717	S	S	*	*			trans	-177	103.2	137.9	-86.4	-25.2	0	0	0	109.8	H175	H175-N177 PolarHBondContact O-N 3.32Å; H175-N177 VanDerWaalsContact O-N 3.16Å
178	N	28.6	Very low	31.2	Very low	140 Å²	140	138 Å²	138	75%	0.749	73%	0.727	S	S	*	*			trans	43.9	122.4	135.4	-60.6	-17.5	0	0	0	121
179	H	28	Very low	30.4	Very low	156 Å²	156	141.8 Å²	141.8	72%	0.722	75%	0.746	S	S	*	*			trans	62.4	99.8	137.8	-87.5	-78.6	0	0	0	118.5
180	Y	31	Very low	29.4	Very low	195 Å²	195	142.9 Å²	142.9	77%	0.765	76%	0.758	S	S	*	*				174.1	127	96.7	-98.3	-79.8	0	0	0	110
181	D	25.9	Very low	29	Very low	128 Å²	128	144.3 Å²	144.3	68%	0.684	76%	0.764	S	S	*	*			trans	38.6	106.4	151.2	-58.5	-22.9	0	0	0	120.2
182	N	27.1	Very low	28	Very low	158 Å²	158	143.7 Å²	143.7	85%	0.845	78%	0.776	S	S	*	*				-158.4	103.2	123.8	-90.7	-39.3	0	0	0	109.3	V184	N182-V184 PolarHBondContact O-N 3.45Å
183	T	24.3	Very low	27.4	Very low	135 Å²	135	147.7 Å²	147.7	83%	0.828	78%	0.783	S	S	*	*			trans	-64.8	95.2	166.6	47.4	0	0	0	0	109.4
184	V	27.4	Very low	26.6	Very low	129 Å²	129	147 Å²	147	78%	0.782	78%	0.78	S	S	*	*			trans	-100.2	107	153.9	-179.8	0	0	0	0	105.6	N182 S186	N182-V184 PolarHBondContact O-N 3.45Å; V184-S186 PolarHBondContact O-N 3.27Å
185	T	26	Very low	26.4	Very low	119 Å²	119	146.1 Å²	146.1	73%	0.73	78%	0.781	S	S	*	*			trans	-53.3	124.4	-178.1	39.4	0	0	0	0	111.2	E187	T185-E187 VanDerWaalsContact C-N 3.29Å; T185-E187 PolarHBondContact O-N 2.98Å
186	S	27.9	Very low	25.8	Very low	128 Å²	128	144.8 Å²	144.8	90%	0.895	78%	0.78	S	S	*	*			trans	-70.7	79.7	172.4	-56.6	0	0	0	0	110.2	V184	V184-S186 PolarHBondContact O-N 3.27Å
187	E	24	Very low	25.9	Very low	162 Å²	162	144.1 Å²	144.1	76%	0.757	78%	0.783	S	S	*	*			trans	-127.5	115.3	164.1	-78.4	-174.9	162	0	0	110.1	T185	T185-E187 VanDerWaalsContact C-N 3.29Å; T185-E187 PolarHBondContact O-N 2.98Å
188	Q	25.7	Very low	25.8	Very low	176 Å²	176	141.5 Å²	141.5	82%	0.822	78%	0.776	S	S	*	*			trans	73.5	73.1	155.5	-56.2	176.9	-1.4	0	0	118.2
189	I	26.8	Very low	25.6	Very low	172 Å²	172	138.1 Å²	138.1	88%	0.882	77%	0.774	S	S	*	*			trans	-132.2	63.8	135.6	-48.7	178	0	0	0	108.5
190	S	22.4	Very low	25.5	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	77%	0.767	S	S	*	*			trans	-100.1	75.7	151.4	-167.8	0	0	0	0	106.7
191	L	22.7	Very low	25.3	Very low	141 Å²	141	134.1 Å²	134.1	74%	0.738	76%	0.76	S	S	*	*			trans	-127.5	97.9	158	-81.9	172.3	0	0	0	105.4	Y193	L191-Y193 PolarHBondContact O-N 3.46Å
192	G	20.8	Very low	25.1	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	77%	0.766	S	S	*	*			trans	-54.9	100.4	173.2	0	0	0	0	0	109.9	Q194	G192-Q194 VanDerWaalsContact C-N 3.33Å; G192-Q194 PolarHBondContact O-N 3.48Å
193	Y	23.1	Very low	25.3	Very low	215 Å²	215	136.3 Å²	136.3	84%	0.843	76%	0.755	S	S	*	*			trans	-84.8	87.9	158.2	-93.3	-88.1	0	0	0	107.5	L191	L191-Y193 PolarHBondContact O-N 3.46Å
194	Q	21.5	Very low	25.2	Very low	157 Å²	157	139 Å²	139	73%	0.734	76%	0.755	S	S	*	*			trans	-58.9	124.2	154.6	-70.4	-69.1	-25.7	0	0	107	G192 N196	G192-Q194 VanDerWaalsContact C-N 3.33Å; G192-Q194 PolarHBondContact O-N 3.48Å; Q194-N196 PolarHBondContact O-N 3.4Å
195	P	25.1	Very low	25.1	Very low	112 Å²	112	138 Å²	138	73%	0.727	75%	0.75	S	S	*	*			trans	-69.1	102.8	-179.7	26.7	-29.8	0	0	0	108.2	P197	P195-P197 WeakPolarHBondContact O-CD 3.25Å
196	N	23.2	Very low	25	Very low	140 Å²	140	139.8 Å²	139.8	75%	0.749	75%	0.754	S	S	*	*			trans	-58.5	119.2	164.9	-76.8	-21.5	0	0	0	107.9	Q194 S198	Q194-N196 PolarHBondContact O-N 3.4Å; N196-S198 PolarHBondContact O-N 2.97Å
197	P	33.5	Very low	24.7	Very low	135 Å²	135	140.3 Å²	140.3	88%	0.877	75%	0.747	S	S	*	*	S	Bend	trans	-68	0.2	175.6	-17.3	31.7	0	0	0	113.7	P195 G199	P195-P197 WeakPolarHBondContact O-CD 3.25Å; P197-G199 PolarHBondContact O-N 3.39Å
198	S	26.3	Very low	24.8	Very low	81 Å²	81	139.9 Å²	139.9	57%	0.566	75%	0.75	S	S	*	*			trans	-101.9	59.8	-178.1	-73.5	0	0	0	0	111.9	N196 Y200	N196-S198 PolarHBondContact O-N 2.97Å; S198-Y200 PolarHBondContact O-N 3.29Å
199	G	24.9	Very low	24.8	Very low	69 Å²	69	139.9 Å²	139.9	71%	0.711	75%	0.75	S	S	*	*			trans	-78.3	58.4	165.2	0	0	0	0	0	111.5	P197 I201	P197-G199 PolarHBondContact O-N 3.39Å; G199-I201 PolarHBondContact O-N 3.08Å
200	Y	25.4	Very low	24.8	Very low	145 Å²	145	140.4 Å²	140.4	57%	0.569	75%	0.748	S	S	*	*			trans	-70.7	93.7	172.5	-69.3	-82.6	0	0	0	109.1	I138 S198 H202	I138-Y200 WeakPolarHBondContact CG2-OH 3.36Å; S198-Y200 PolarHBondContact O-N 3.29Å; Y200-H202 PolarHBondContact O-N 3.07Å; Y200-H202 VanDerWaalsContact O-N 3.11Å
201	I	27.2	Very low	24.9	Very low	122 Å²	122	138.2 Å²	138.2	63%	0.626	74%	0.744	S	S	*	*			trans	-74.4	103.5	166.9	-59.7	179.3	0	0	0	107.4	G199 Y203	G199-I201 PolarHBondContact O-N 3.08Å; I201-Y203 PolarHBondContact O-N 3.16Å
202	H	22.5	Very low	25.1	Very low	173 Å²	173	138.7 Å²	138.7	80%	0.801	75%	0.747	S	S	*	*			trans	-57.1	103.7	169.1	-116.2	-111.1	0	0	0	109.7	Y200 K204	Y200-H202 PolarHBondContact O-N 3.07Å; Y200-H202 VanDerWaalsContact O-N 3.11Å; H202-K204 PolarHBondContact O-N 3.35Å
203	Y	29.7	Very low	25.6	Very low	158 Å²	158	144.3 Å²	144.3	62%	0.62	75%	0.753	S	S	*	*			trans	-73.6	113.1	157.8	41.1	-88.7	0	0	0	107	L135 I201 T205	L135-Y203 HydrophobicContact CD1-CE1 4.49Å; L135-Y203 WeakPolarHBondContact CD1-OH 3.38Å; I201-Y203 PolarHBondContact O-N 3.16Å; Y203-T205 PolarHBondContact O-N 3.09Å
204	K	23.2	Very low	25.7	Very low	191 Å²	191	141.4 Å²	141.4	83%	0.83	75%	0.751	S	S	*	*			trans	-56.5	111	167.2	-77.4	-179.2	176.2	179.3	0	107.2	H202 L206	H202-K204 PolarHBondContact O-N 3.35Å; K204-L206 PolarHBondContact O-N 3.16Å
205	T	24.2	Very low	26	Very low	110 Å²	110	139.6 Å²	139.6	68%	0.675	75%	0.753	S	S	*	*			trans	-52.8	105.6	165.3	-54.2	0	0	0	0	107.2	Y203 N207	Y203-T205 PolarHBondContact O-N 3.09Å; T205-N207 VanDerWaalsContact C-N 3.34Å; T205-N207 PolarHBondContact O-N 3.45Å
206	L	24.2	Very low	26.1	Very low	156 Å²	156	141.4 Å²	141.4	82%	0.817	75%	0.754	S	S	*	*			trans	-64.1	102.4	164.8	-94.9	137.8	0	0	0	106.3	K204 N208	K204-L206 PolarHBondContact O-N 3.16Å; L206-N208 PolarHBondContact O-N 3.09Å
207	N	21.8	Very low	26.3	Very low	138 Å²	138	143.4 Å²	143.4	74%	0.738	76%	0.758	S	S	*	*			trans	-61.6	88.7	165.2	-80.4	-12.6	0	0	0	108	T205 Q209	T205-N207 VanDerWaalsContact C-N 3.34Å; T205-N207 PolarHBondContact O-N 3.45Å; N207-Q209 PolarHBondContact O-N 3.49Å
208	N	27.6	Very low	26.1	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	75%	0.748	S	S	*	*			trans	-80.4	95.9	159.7	-91.5	-0.7	0	0	0	107.6	L206 H210	L206-N208 PolarHBondContact O-N 3.09Å; N208-H210 PolarHBondContact O-N 3.47Å
209	Q	24.6	Very low	26	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	76%	0.757	S	S	*	*			trans	-59.5	128.1	161.2	-69.7	-179.9	-28.9	0	0	109.1	N207	N207-Q209 PolarHBondContact O-N 3.49Å
210	H	26.3	Very low	26	Very low	183 Å²	183	150.2 Å²	150.2	85%	0.847	76%	0.762	S	S	*	*			trans	53	96.6	156.2	-72.1	6.1	0	0	0	118.5	N208	N208-H210 PolarHBondContact O-N 3.47Å
211	G	26	Very low	26.4	Very low	70 Å²	70	152.7 Å²	152.7	72%	0.722	77%	0.772	S	S	*	*			trans	-145.1	91.6	151.8	0	0	0	0	0	109.1	Q213	G211-Q213 PolarHBondContact O-N 3.31Å
212	N	27	Very low	26.5	Very low	151 Å²	151	153.9 Å²	153.9	81%	0.807	79%	0.785	S	S	*	*			trans	-48.4	107.7	177.1	-66.4	-26.4	0	0	0	111.3	L214	N212-L214 PolarHBondContact O-N 3.41Å
213	Q	29.8	Very low	27.2	Very low	195 Å²	195	150.4 Å²	150.4	91%	0.911	78%	0.776	S	S	*	*			trans	-90.2	97.1	161.5	-80.1	-175.3	4.5	0	0	108.1	G211	G211-Q213 PolarHBondContact O-N 3.31Å
214	L	26.6	Very low	28.1	Very low	153 Å²	153	146.7 Å²	146.7	80%	0.801	77%	0.767	S	S	*	*			trans	-57.2	145.8	171.3	-76.4	148.9	0	0	0	110.8	N212	N212-L214 PolarHBondContact O-N 3.41Å
215	P	27	Very low	29.7	Very low	119 Å²	119	142.4 Å²	142.4	77%	0.773	76%	0.759	S	S	*	*			trans	-59.6	140	179.3	-19.7	30.8	0	0	0	112.2	H217	P215-H217 PolarHBondContact O-N 3.15Å
216	M	28.1	Very low	30.9	Very low	151 Å²	151	144 Å²	144	74%	0.744	75%	0.753	S	S	*	*			trans	-48.7	105.6	173.9	-85.1	-83.2	-67.6	0	0	111.8	I218	M216-I218 PolarHBondContact O-N 3.27Å; M216-I218 VanDerWaalsContact O-N 3.15Å
217	H	26.5	Very low	32.8	Very low	182 Å²	182	137.9 Å²	137.9	84%	0.843	72%	0.722	S	S	*	*			trans	-76.9	97.9	169.8	-141.6	-82	0	0	0	108.8	P215 K219	P215-H217 PolarHBondContact O-N 3.15Å; H217-K219 PolarHBondContact O-N 3.26Å
218	I	28.7	Very low	35.5	Very low	129 Å²	129	135.4 Å²	135.4	66%	0.662	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-73.6	116.4	177.7	-62.6	167.5	0	0	0	108.4	M216	M216-I218 PolarHBondContact O-N 3.27Å; M216-I218 VanDerWaalsContact O-N 3.15Å
219	K	25.2	Very low	37.9	Very low	172 Å²	172	130.1 Å²	130.1	75%	0.748	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-76.6	133.4	161.1	-69.1	-171.3	178.7	-173.2	0	108.4	H217 Y221	H217-K219 PolarHBondContact O-N 3.26Å; K219-Y221 PolarHBondContact O-N 2.74Å
220	P	25.4	Very low	40.6	Very low	127 Å²	127	123.8 Å²	123.8	83%	0.825	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-66.8	120.9	-176.6	23.9	-30.3	0	0	0	110.6
221	Y	32.2	Very low	42.9	Very low	197 Å²	197	116.1 Å²	116.1	77%	0.773	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-80.3	142.9	169.7	-66.5	-79	0	0	0	109.5	K219 T223	K219-Y221 PolarHBondContact O-N 2.74Å; Y221-T223 PolarHBondContact O-N 2.99Å
222	T	29.3	Very low	44.8	Very low	146 Å²	146	114.4 Å²	114.4	90%	0.896	60%	0.596	S	S	*	*			trans	-66.3	99	170	52.2	0	0	0	0	109	N224	T222-N224 PolarHBondContact O-N 2.82Å
223	T	37.4	Very low	46.2	Very low	101 Å²	101	111.1 Å²	111.1	62%	0.62	59%	0.585	S	S	*	*			trans	-78.3	117.6	174.2	48.8	0	0	0	0	108.7	Y221 P225	Y221-T223 PolarHBondContact O-N 2.99Å; T223-P225 VanDerWaalsContact O-CD 3.27Å; T223-P225 WeakPolarHBondContact O-CD 3.09Å
224	N	49.8	Very low	47	Very low	79 Å²	79	109.6 Å²	109.6	42%	0.422	58%	0.575	S	S	.	*			trans	-60.3	117.1	161	-178.1	-3.3	0	0	0	108	T222 Y226 T227	T222-N224 PolarHBondContact O-N 2.82Å; N224-Y226 PolarHBondContact O-N 2.86Å; N224-Y226 VanDerWaalsContact OD1-CD2 3.31Å; N224-Y226 WeakPolarHBondContact OD1-CD2 3.28Å; N224-Y226 PolarHBondContact OD1-N 3.16Å; N224-T227 HydrophobicContact CB-CG2 4.33Å; N224-T227 PolarHBondContact O-OG1 3.11Å
225	P	55.3	Low	47.7	Very low	102 Å²	102	105.4 Å²	105.4	66%	0.662	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-12.3	-175.7	26.4	-34.4	0	0	0	114	T223	T223-P225 VanDerWaalsContact O-CD 3.27Å; T223-P225 WeakPolarHBondContact O-CD 3.09Å
226	Y	50.9	Low	47.9	Very low	143 Å²	143	106.3 Å²	106.3	56%	0.561	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	4.2	-175.1	-58.4	-70.9	0	0	0	115.3	I25 A26 N224	I25-Y226 PolarHBondContact N-O 2.94Å; A26-Y226 HydrophobicContact CB-CD1 4.25Å; A26-Y226 HydrophobicContact CB-CG 4.28Å; N224-Y226 PolarHBondContact O-N 2.86Å; N224-Y226 VanDerWaalsContact OD1-CD2 3.31Å; N224-Y226 WeakPolarHBondContact OD1-CD2 3.28Å; N224-Y226 PolarHBondContact OD1-N 3.16Å
227	T	63.8	Low	48.3	Very low	27 Å²	27	104.8 Å²	104.8	17%	0.166	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.7	-179.9	64.2	0	0	0	0	112.2	S23 L31 K75 N224	S23-T227 CarbonylContact O-C 3.59Å; S23-T227 WeakPolarHBondContact O-CA 3.28Å; L31-T227 HydrophobicContact CD1-CG2 4.07Å; K75-T227 PolarHBondContact NZ-OG1 2.88Å; N224-T227 HydrophobicContact CB-CG2 4.33Å; N224-T227 PolarHBondContact O-OG1 3.11Å
228	N	78.6	Confident	48.4	Very low	87 Å²	87	104.7 Å²	104.7	47%	0.465	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.3	175.1	-85	4.7	0	0	0	112	S23 I25	S23-N228 PolarHBondContact N-O 3.29Å; S23-N228 PolarHBondContact O-N 3.36Å; S23-N228 PolarHBondContact OG-O 3.49Å; I25-N228 HydrophobicContact CD1-CB 3.77Å; I25-N228 WeakPolarHBondContact CD1-ND2 3.5Å; I25-N228 HydrophobicContact CG1-CB 4.22Å
229	I	78.3	Confident	48.3	Very low	41 Å²	41	105.8 Å²	105.8	21%	0.21	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.6	124.7	172.4	-55.1	171	0	0	0	108.6	L21 L22 K75 L76 F79	L21-I229 VanDerWaalsContact O-CA 3.26Å; L21-I229 WeakPolarHBondContact O-CA 3.42Å; L22-I229 HydrophobicContact CD1-CD1 4.14Å; L22-I229 HydrophobicContact CD1-CG1 3.51Å; K75-I229 HydrophobicContact CB-CD1 4.01Å; K75-I229 WeakPolarHBondContact O-CD1 3.09Å; L76-I229 HydrophobicContact CD2-CG2 4.36Å; F79-I229 HydrophobicContact CB-CB 4.46Å; F79-I229 HydrophobicContact CB-CD1 3.76Å; F79-I229 HydrophobicContact CB-CG2 3.99Å; F79-I229 HydrophobicContact CD1-CB 4.09Å; F79-I229 HydrophobicContact CD1-CG2 3.28Å; F79-I229 HydrophobicContact CD2-CB 4.23Å; F79-I229 HydrophobicContact CD2-CG2 4.28Å; F79-I229 HydrophobicContact CE1-CB 4.35Å; F79-I229 HydrophobicContact CE1-CG2 3.72Å; F79-I229 HydrophobicContact CE2-CB 4.5Å; F79-I229 HydrophobicContact CG-CB 4Å; F79-I229 HydrophobicContact CG-CD1 4.18Å; F79-I229 HydrophobicContact CG-CG2 3.59Å; F79-I229 HydrophobicContact CZ-CG2 4.38Å
230	C	81.6	Confident	48.4	Very low	45 Å²	45	102.5 Å²	102.5	30%	0.304	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	153.6	176	64.9	0	0	0	0	111.7	F20 L21	F20-C230 WeakPolarHBondContact CA-O 3.5Å; L21-C230 PolarHBondContact N-O 2.95Å; L21-C230 PolarHBondContact O-N 3.29Å
231	N	73.3	Confident	48.2	Very low	22 Å²	22	106.4 Å²	106.4	12%	0.118	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.4	167.2	175.8	2.1	0	0	0	108.6	T18 F20 S233 K234	T18-N231 VanDerWaalsContact CG2-CG 3.5Å; T18-N231 WeakPolarHBondContact CG2-OD1 3.02Å; F20-N231 HydrophobicContact CD1-CB 4.32Å; F20-N231 HydrophobicContact CE1-CB 4.23Å; N231-S233 VanDerWaalsContact C-N 3.31Å; N231-S233 PolarHBondContact ND2-OG 3.03Å; N231-S233 PolarHBondContact O-N 3.37Å; N231-S233 PolarHBondContact OD1-N 3.13Å; N231-S233 PolarHBondContact OD1-OG 2.81Å; N231-S233 VanDerWaalsContact OD1-OG 3.09Å; N231-K234 PolarHBondContact O-N 3.18Å
232	T	66	Low	48	Very low	34 Å²	34	104.1 Å²	104.1	21%	0.209	55%	0.547	C	S	.	.	G	3₁₀ helix	trans	-65.5	-25.4	178.3	50.8	0	0	0	0	114.6	I19 L21 K234 I235	I19-T232 HydrophobicContact CB-CG2 4.21Å; I19-T232 WeakPolarHBondContact CB-OG1 3.48Å; I19-T232 HydrophobicContact CG2-CG2 4.38Å; I19-T232 PolarHBondContact N-OG1 3.36Å; I19-T232 WeakPolarHBondContact O-CG2 3.42Å; I19-T232 PolarHBondContact O-N 3.28Å; I19-T232 PolarHBondContact O-OG1 2.86Å; L21-T232 HydrophobicContact CD1-CG2 3.65Å; L21-T232 HydrophobicContact CG-CG2 3.98Å; T232-K234 PolarHBondContact O-N 3.42Å; T232-I235 HydrophobicContact CG2-CD1 4.45Å; T232-I235 PolarHBondContact O-N 3.05Å
233	S	57.7	Low	47.7	Very low	81 Å²	81	106 Å²	106	57%	0.566	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-72.5	-10	177.8	71	0	0	0	0	114.1	N231	N231-S233 VanDerWaalsContact C-N 3.31Å; N231-S233 PolarHBondContact ND2-OG 3.03Å; N231-S233 PolarHBondContact O-N 3.37Å; N231-S233 PolarHBondContact OD1-N 3.13Å; N231-S233 PolarHBondContact OD1-OG 2.81Å; N231-S233 VanDerWaalsContact OD1-OG 3.09Å
234	K	44.9	Very low	46.9	Very low	164 Å²	164	109.6 Å²	109.6	71%	0.713	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-106.2	6.7	175.2	-67.4	-169.5	176.5	-172.6	0	113.7	N231 T232 D236	N231-K234 PolarHBondContact O-N 3.18Å; T232-K234 PolarHBondContact O-N 3.42Å; K234-D236 PolarHBondContact O-N 3.16Å
235	I	42	Very low	45.7	Very low	65 Å²	65	113.1 Å²	113.1	33%	0.333	57%	0.571	S	S	.	*			trans	-86.4	99	172.3	-57.7	175	0	0	0	106.3	T232 L237 I240	T232-I235 HydrophobicContact CG2-CD1 4.45Å; T232-I235 PolarHBondContact O-N 3.05Å; I235-L237 PolarHBondContact O-N 2.86Å; I235-I240 HydrophobicContact CG2-CD1 4.3Å
236	D	30.2	Very low	44.1	Very low	137 Å²	137	115.8 Å²	115.8	73%	0.733	57%	0.574	S	S	*	*			trans	-58.6	110.4	164.5	-72.9	-37.3	0	0	0	107.7	K234 E238 N239	K234-D236 PolarHBondContact O-N 3.16Å; D236-E238 PolarHBondContact O-N 2.9Å; D236-N239 PolarHBondContact O-N 2.98Å
237	L	38	Very low	42.7	Very low	120 Å²	120	115.8 Å²	115.8	63%	0.628	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-64.4	-2.9	-176.9	-98.4	98.3	0	0	0	113.5	I235 N239	I235-L237 PolarHBondContact O-N 2.86Å; L237-N239 PolarHBondContact O-N 2.92Å
238	E	28.7	Very low	40.8	Very low	179 Å²	179	122.2 Å²	122.2	84%	0.836	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-66.5	-21.5	174.9	-72.9	-159.8	152.9	0	0	113.4	D236	D236-E238 PolarHBondContact O-N 2.9Å
239	N	26.6	Very low	38	Very low	152 Å²	152	127.2 Å²	127.2	81%	0.813	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-102.2	11.5	-176.1	-77.8	-26.6	0	0	0	116.3	D236 L237	D236-N239 PolarHBondContact O-N 2.98Å; L237-N239 PolarHBondContact O-N 2.92Å
240	I	25.8	Very low	35.5	Very low	104 Å²	104	132.7 Å²	132.7	53%	0.533	66%	0.655	S	S	.	*			trans	-122.8	64.3	169.2	-49.3	-177.3	0	0	0	109.7	I235 L242	I235-I240 HydrophobicContact CG2-CD1 4.3Å; I240-L242 HydrophobicContact CG2-CB 4.01Å; I240-L242 HydrophobicContact CG2-CD1 3.57Å; I240-L242 HydrophobicContact CG2-CG 3.61Å; I240-L242 PolarHBondContact O-N 2.82Å
241	K	22.9	Very low	32.6	Very low	209 Å²	209	140.6 Å²	140.6	91%	0.909	68%	0.684	S	S	*	*			trans	-77.7	65.6	155.4	-140.9	175.9	-168.8	177.8	0	107.6	K243	K241-K243 PolarHBondContact O-N 3.44Å
242	L	26.6	Very low	30.4	Very low	149 Å²	149	149.4 Å²	149.4	78%	0.78	72%	0.717	S	S	*	*			trans	-72.8	115.2	169.8	-84.5	171.5	0	0	0	107.6	I240 Q244	I240-L242 HydrophobicContact CG2-CB 4.01Å; I240-L242 HydrophobicContact CG2-CD1 3.57Å; I240-L242 HydrophobicContact CG2-CG 3.61Å; I240-L242 PolarHBondContact O-N 2.82Å; L242-Q244 PolarHBondContact O-N 3.31Å
243	K	22.9	Very low	28.4	Very low	184 Å²	184	151 Å²	151	80%	0.8	74%	0.741	S	S	*	*			trans	-42.6	126.1	175.5	-67.2	176.8	174.7	-177.4	0	110	K241 D245	K241-K243 PolarHBondContact O-N 3.44Å; K243-D245 PolarHBondContact O-N 3.42Å; K243-D245 VanDerWaalsContact O-N 3.14Å
244	Q	21.6	Very low	26.7	Very low	177 Å²	177	154.8 Å²	154.8	83%	0.827	75%	0.754	S	S	*	*			trans	-55.9	111.1	160.8	-68.6	169.3	-27.1	0	0	107.1	L242	L242-Q244 PolarHBondContact O-N 3.31Å
245	D	23.2	Very low	25.8	Very low	153 Å²	153	155.2 Å²	155.2	82%	0.818	76%	0.763	S	S	*	*			trans	-119.3	121.6	154.3	-87.9	-34.7	0	0	0	107.3	K243	K243-D245 PolarHBondContact O-N 3.42Å; K243-D245 VanDerWaalsContact O-N 3.14Å
246	H	21.7	Very low	24.7	Very low	159 Å²	159	158.2 Å²	158.2	74%	0.736	78%	0.779	S	S	*	*			trans	-64.2	160.6	175.4	-79.7	-93.6	0	0	0	111.5
247	N	22	Very low	24.4	Very low	143 Å²	143	158.6 Å²	158.6	77%	0.765	78%	0.781	S	S	*	*			trans	83.2	131	169.6	-52.1	-20.7	0	0	0	113.5
248	E	23.4	Very low	23.7	Very low	161 Å²	161	158.3 Å²	158.3	75%	0.752	78%	0.784	S	S	*	*			cis	-166.3	146.7	24.5	-127.9	166.1	-146.7	0	0	108.5	K250	E248-K250 PolarHBondContact O-N 3.14Å
249	E	21.2	Very low	23.6	Very low	192 Å²	192	157.1 Å²	157.1	90%	0.897	78%	0.784	S	S	*	*			trans	-59.4	123.2	171.9	-68.7	176.4	129	0	0	111.5
250	K	24.7	Very low	23.2	Very low	157 Å²	157	161 Å²	161	68%	0.683	79%	0.787	S	S	*	*			trans	-127.5	98.6	161.1	-77.1	-171.5	-179.8	173.9	0	112.2	E248 Y252	E248-K250 PolarHBondContact O-N 3.14Å; K250-Y252 HydrophobicContact CB-CD2 4.46Å; K250-Y252 HydrophobicContact CB-CE2 4.03Å; K250-Y252 PolarHBondContact O-N 3.45Å
251	K	20.5	Very low	23.2	Very low	210 Å²	210	161.6 Å²	161.6	91%	0.913	80%	0.8	S	S	*	*			trans	-64.1	101.6	167.7	-163.5	-179.4	-168.5	179.3	0	109.2
252	Y	28.4	Very low	23.2	Very low	208 Å²	208	157 Å²	157	82%	0.816	79%	0.79	S	S	*	*			trans	-92.9	111.9	169.5	-80.8	-82.1	0	0	0	109.9	K250	K250-Y252 HydrophobicContact CB-CD2 4.46Å; K250-Y252 HydrophobicContact CB-CE2 4.03Å; K250-Y252 PolarHBondContact O-N 3.45Å
253	G	24.1	Very low	23.1	Very low	68 Å²	68	156.5 Å²	156.5	70%	0.701	79%	0.787	S	S	*	*			trans	-66.9	146.4	178.3	0	0	0	0	0	113.1
254	L	21.1	Very low	23.3	Very low	160 Å²	160	156.3 Å²	156.3	84%	0.838	79%	0.789	S	S	*	*			trans	-62.1	120.3	172.5	-164	74.9	0	0	0	109.5
255	L	25.3	Very low	23.3	Very low	173 Å²	173	157.8 Å²	157.8	91%	0.906	79%	0.792	S	S	*	*			trans	-104.8	119.1	167.3	-78.4	171.1	0	0	0	109.1
256	D	20.8	Very low	23.4	Very low	128 Å²	128	160.2 Å²	160.2	68%	0.684	80%	0.796	S	S	*	*			trans	-72.6	144.1	175	-78.2	-42.8	0	0	0	112.5
257	N	22.2	Very low	23.8	Very low	145 Å²	145	157.4 Å²	157.4	78%	0.775	79%	0.794	S	S	*	*			trans	65.8	151.6	140.3	-75.3	-31.6	0	0	0	122.3
258	V	24	Very low	24.1	Very low	114 Å²	114	158.7 Å²	158.7	69%	0.691	80%	0.801	S	S	*	*			trans	93.6	88.6	157.7	-163.4	0	0	0	0	115.4
259	N	25.9	Very low	24.5	Very low	154 Å²	154	157.6 Å²	157.6	82%	0.824	80%	0.8	S	S	*	*				-173.7	136.5	95.5	-104	-36.5	0	0	0	115.4
260	R	19.5	Very low	25.1	Very low	232 Å²	232	154 Å²	154	88%	0.875	80%	0.796	S	S	*	*			trans	-74.6	129.1	171.3	171.3	-169.6	-86.6	179.4	-8	108.9
261	S	25.7	Very low	25.7	Very low	117 Å²	117	152.6 Å²	152.6	82%	0.818	80%	0.795	S	S	*	*			trans	-144.6	129.2	150.4	66.7	0	0	0	0	111.7
262	T	22.1	Very low	26.4	Very low	113 Å²	113	147.5 Å²	147.5	69%	0.693	78%	0.776	S	S	*	*			trans	-65	163.4	-179.8	39.6	0	0	0	0	114.2
263	I	24.6	Very low	26.8	Very low	139 Å²	139	141.8 Å²	141.8	71%	0.713	76%	0.762	S	S	*	*			trans	130	127.5	136.4	-63.6	-177.5	0	0	0	115.2
264	Q	26.5	Very low	27.6	Very low	180 Å²	180	144.8 Å²	144.8	84%	0.841	76%	0.762	S	S	*	*			trans	92.2	91.8	155.7	-82.2	164.2	52.2	0	0	120.9
265	K	23.6	Very low	28.6	Very low	207 Å²	207	141 Å²	141	90%	0.9	75%	0.749	S	S	*	*			trans	-47.3	122.5	145.4	-69.3	172.6	174.3	175.8	0	111.5
266	K	24.9	Very low	29.3	Very low	204 Å²	204	133.3 Å²	133.3	89%	0.887	71%	0.712	S	S	*	*			trans	-178.8	103.5	130.5	-107.4	176.6	178.2	178.2	0	111.5
267	S	30.5	Very low	30.3	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	70%	0.696	S	S	*	*				168.6	120.8	127.5	46.5	0	0	0	0	107.3	N269	S267-N269 PolarHBondContact O-N 3.5Å
268	N	28.2	Very low	31.1	Very low	171 Å²	171	130 Å²	130	91%	0.914	69%	0.687	S	S	*	*			trans	-70.7	76.2	-179	-69.9	-17.1	0	0	0	110
269	N	30.8	Very low	31.7	Very low	137 Å²	137	129.8 Å²	129.8	73%	0.733	68%	0.682	S	S	*	*			trans	-104.5	100.5	156.3	-74.6	-17.7	0	0	0	105.9	S267 I271	S267-N269 PolarHBondContact O-N 3.5Å; N269-I271 PolarHBondContact O-N 3.28Å
270	S	32.9	Very low	32.4	Very low	117 Å²	117	128.3 Å²	128.3	82%	0.818	67%	0.665	S	S	*	*			trans	-44.2	108.3	179.8	-176.3	0	0	0	0	109.8	M272	S270-M272 VanDerWaalsContact C-N 3.32Å; S270-M272 PolarHBondContact O-N 3.48Å
271	I	37.3	Very low	33.4	Very low	128 Å²	128	121.4 Å²	121.4	66%	0.656	64%	0.639	S	S	*	*			trans	-71.2	95.5	174.9	-64.5	173.8	0	0	0	104.9	N269 T273	N269-I271 PolarHBondContact O-N 3.28Å; I271-T273 PolarHBondContact O-N 3.01Å; I271-T273 VanDerWaalsContact O-N 3.11Å
272	M	37.1	Very low	34	Very low	103 Å²	103	118.5 Å²	118.5	51%	0.507	62%	0.619	S	S	.	*			trans	-56.7	120.5	167.8	-87.1	-169.4	118.4	0	0	108.2	S270 G276 Y280	S270-M272 VanDerWaalsContact C-N 3.32Å; S270-M272 PolarHBondContact O-N 3.48Å; M272-G276 WeakPolarHBondContact CE-O 3.31Å; M272-Y280 HydrophobicContact CE-CD2 4.03Å; M272-Y280 HydrophobicContact CE-CG 4.45Å
273	T	36.5	Very low	34.8	Very low	87 Å²	87	118.9 Å²	118.9	53%	0.534	61%	0.611	S	S	.	*			trans	-72.9	167.2	175.7	55.5	0	0	0	0	110.2	I271 S275 G276 M277	I271-T273 PolarHBondContact O-N 3.01Å; I271-T273 VanDerWaalsContact O-N 3.11Å; T273-S275 PolarHBondContact O-N 3.49Å; T273-G276 CarbonylContact O-C 3.55Å; T273-G276 WeakPolarHBondContact O-CA 3.39Å; T273-G276 PolarHBondContact O-N 3.25Å; T273-G276 PolarHBondContact OG1-N 3.16Å; T273-M277 PolarHBondContact O-N 3.32Å
274	D	39.5	Very low	35.5	Very low	131 Å²	131	116 Å²	116	70%	0.701	60%	0.595	S	S	*	*	H	α-helix	trans	-56.3	-37.8	175.5	-66.3	-31.7	0	0	0	111.3	G276 M277 F278	D274-G276 VanDerWaalsContact C-N 3.31Å; D274-G276 PolarHBondContact O-N 2.94Å; D274-M277 WeakPolarHBondContact O-CB 3.46Å; D274-M277 PolarHBondContact O-N 3.26Å; D274-M277 VanDerWaalsContact O-N 3.13Å; D274-F278 VanDerWaalsContact O-CD2 3.29Å; D274-F278 WeakPolarHBondContact O-CD2 3.36Å; D274-F278 PolarHBondContact O-N 2.92Å
275	S	43.1	Very low	36.3	Very low	81 Å²	81	112.5 Å²	112.5	57%	0.566	58%	0.581	S	S	*	*	H	α-helix	trans	-61.2	-37.8	169.9	-46.6	0	0	0	0	112.5	T273 F278 N279	T273-S275 PolarHBondContact O-N 3.49Å; S275-F278 PolarHBondContact O-N 3.46Å; S275-N279 WeakPolarHBondContact O-CB 3.3Å; S275-N279 VanDerWaalsContact O-CG 3.29Å; S275-N279 PolarHBondContact O-N 2.89Å; S275-N279 PolarHBondContact O-ND2 2.78Å
276	G	40.1	Very low	37.2	Very low	11 Å²	11	109.8 Å²	109.8	11%	0.113	57%	0.572	C	S	.	*	H	α-helix	trans	-61.8	-38.5	171.8	0	0	0	0	0	113.1	M272 T273 D274 N279 Y280	M272-G276 WeakPolarHBondContact CE-O 3.31Å; T273-G276 CarbonylContact O-C 3.55Å; T273-G276 WeakPolarHBondContact O-CA 3.39Å; T273-G276 PolarHBondContact O-N 3.25Å; T273-G276 PolarHBondContact OG1-N 3.16Å; D274-G276 VanDerWaalsContact C-N 3.31Å; D274-G276 PolarHBondContact O-N 2.94Å; G276-N279 PolarHBondContact O-N 2.84Å; G276-Y280 WeakPolarHBondContact O-CB 3.45Å; G276-Y280 PolarHBondContact O-N 3.44Å
277	M	42.4	Very low	38.1	Very low	73 Å²	73	105.4 Å²	105.4	36%	0.36	56%	0.558	S	S	.	*	H	α-helix	trans	-65.8	-44.2	173.2	-83.8	-163.7	69.4	0	0	112.3	Y115 T273 D274 N279 Y280 R281	Y115-M277 HydrophobicContact CE1-CE 4.45Å; T273-M277 PolarHBondContact O-N 3.32Å; D274-M277 WeakPolarHBondContact O-CB 3.46Å; D274-M277 PolarHBondContact O-N 3.26Å; D274-M277 VanDerWaalsContact O-N 3.13Å; M277-N279 VanDerWaalsContact C-N 3.34Å; M277-Y280 PolarHBondContact O-N 2.92Å; M277-R281 VanDerWaalsContact O-CG 3.27Å; M277-R281 WeakPolarHBondContact O-CG 3.31Å; M277-R281 PolarHBondContact O-N 3.49Å
278	F	37.8	Very low	38.5	Very low	131 Å²	131	103.4 Å²	103.4	58%	0.575	54%	0.535	S	S	*	.	H	α-helix	trans	-62.4	-40.9	174.6	-82.2	-78.3	0	0	0	111.8	D274 S275 R281 S282	D274-F278 VanDerWaalsContact O-CD2 3.29Å; D274-F278 WeakPolarHBondContact O-CD2 3.36Å; D274-F278 PolarHBondContact O-N 2.92Å; S275-F278 PolarHBondContact O-N 3.46Å; F278-R281 WeakPolarHBondContact O-CB 3.43Å; F278-R281 PolarHBondContact O-N 3.04Å; F278-S282 PolarHBondContact O-N 3.37Å; F278-S282 PolarHBondContact O-OG 3.47Å; F278-S282 VanDerWaalsContact O-OG 3.07Å
279	N	37.3	Very low	39.1	Very low	110 Å²	110	98.3 Å²	98.3	59%	0.588	51%	0.513	S	S	*	.	H	α-helix	trans	-69.3	-36.8	177.7	-73.3	-16	0	0	0	112.8	S275 G276 M277 R281 S282 F283	S275-N279 WeakPolarHBondContact O-CB 3.3Å; S275-N279 VanDerWaalsContact O-CG 3.29Å; S275-N279 PolarHBondContact O-N 2.89Å; S275-N279 PolarHBondContact O-ND2 2.78Å; G276-N279 PolarHBondContact O-N 2.84Å; M277-N279 VanDerWaalsContact C-N 3.34Å; N279-R281 VanDerWaalsContact C-N 3.34Å; N279-S282 PolarHBondContact O-N 3.44Å; N279-F283 VanDerWaalsContact O-CB 3.3Å; N279-F283 WeakPolarHBondContact O-CB 3.37Å; N279-F283 PolarHBondContact O-N 3.34Å
280	Y	40.9	Very low	39.7	Very low	122 Å²	122	102.4 Å²	102.4	48%	0.478	52%	0.524	S	S	.	.	H	α-helix	trans	-63.5	-41.8	173.3	-160.5	-93.6	0	0	0	111.2	M272 G276 M277 S282 F283 E284	M272-Y280 HydrophobicContact CE-CD2 4.03Å; M272-Y280 HydrophobicContact CE-CG 4.45Å; G276-Y280 WeakPolarHBondContact O-CB 3.45Å; G276-Y280 PolarHBondContact O-N 3.44Å; M277-Y280 PolarHBondContact O-N 2.92Å; Y280-S282 PolarHBondContact O-N 3.5Å; Y280-F283 PolarHBondContact O-N 3.36Å; Y280-E284 WeakPolarHBondContact O-CB 3.43Å; Y280-E284 PolarHBondContact O-N 2.92Å
281	R	40	Very low	40.2	Very low	88 Å²	88	103.2 Å²	103.2	33%	0.332	52%	0.515	S	S	.	.	H	α-helix	trans	-58.2	-46.9	172.5	-72.4	168.4	170.5	-173.2	-6.3	111.6	M277 F278 N279 L285	M277-R281 VanDerWaalsContact O-CG 3.27Å; M277-R281 WeakPolarHBondContact O-CG 3.31Å; M277-R281 PolarHBondContact O-N 3.49Å; F278-R281 WeakPolarHBondContact O-CB 3.43Å; F278-R281 PolarHBondContact O-N 3.04Å; N279-R281 VanDerWaalsContact C-N 3.34Å; R281-L285 WeakPolarHBondContact O-CB 3.26Å; R281-L285 WeakPolarHBondContact O-CD1 3.43Å; R281-L285 WeakPolarHBondContact O-CG 3.37Å; R281-L285 PolarHBondContact O-N 3.28Å
282	S	38.5	Very low	40.6	Very low	56 Å²	56	99 Å²	99	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-64.2	-41.1	177.7	-60.9	0	0	0	0	112.1	F278 N279 Y280 L285 Q286	F278-S282 PolarHBondContact O-N 3.37Å; F278-S282 PolarHBondContact O-OG 3.47Å; F278-S282 VanDerWaalsContact O-OG 3.07Å; N279-S282 PolarHBondContact O-N 3.44Å; Y280-S282 PolarHBondContact O-N 3.5Å; S282-L285 PolarHBondContact O-N 2.92Å; S282-Q286 WeakPolarHBondContact O-CB 3.49Å; S282-Q286 VanDerWaalsContact O-CG 3.26Å; S282-Q286 WeakPolarHBondContact O-CG 3.3Å; S282-Q286 PolarHBondContact O-N 2.9Å
283	F	39.1	Very low	41.3	Very low	120 Å²	120	94.5 Å²	94.5	53%	0.526	47%	0.473	S	S	.	.	H	α-helix	trans	-66.9	-43.5	179.5	-174.3	-102.6	0	0	0	112.2	N279 Y280 L285 Q286 N287	N279-F283 VanDerWaalsContact O-CB 3.3Å; N279-F283 WeakPolarHBondContact O-CB 3.37Å; N279-F283 PolarHBondContact O-N 3.34Å; Y280-F283 PolarHBondContact O-N 3.36Å; F283-L285 VanDerWaalsContact C-N 3.32Å; F283-L285 PolarHBondContact O-N 3.48Å; F283-Q286 PolarHBondContact O-N 3.17Å; F283-N287 WeakPolarHBondContact CE1-ND2 3.05Å; F283-N287 VanDerWaalsContact CZ-ND2 3.25Å; F283-N287 WeakPolarHBondContact CZ-ND2 3.45Å; F283-N287 PolarHBondContact O-N 3.46Å
284	E	38.2	Very low	42.3	Very low	79 Å²	79	92.5 Å²	92.5	37%	0.369	46%	0.463	S	S	.	.	H	α-helix	trans	-68.4	-32.8	176.9	-157.6	171.8	-165.1	0	0	111.7	Y280 R288	Y280-E284 WeakPolarHBondContact O-CB 3.43Å; Y280-E284 PolarHBondContact O-N 2.92Å; E284-R288 WeakPolarHBondContact O-CG 3.44Å; E284-R288 PolarHBondContact O-N 3.41Å
285	L	43.2	Very low	43.2	Very low	106 Å²	106	89.8 Å²	89.8	56%	0.555	44%	0.443	S	S	*	.	H	α-helix	trans	-72.5	-34.3	171.7	-72.5	170.8	0	0	0	113.2	R281 S282 F283 R288	R281-L285 WeakPolarHBondContact O-CB 3.26Å; R281-L285 WeakPolarHBondContact O-CD1 3.43Å; R281-L285 WeakPolarHBondContact O-CG 3.37Å; R281-L285 PolarHBondContact O-N 3.28Å; S282-L285 PolarHBondContact O-N 2.92Å; F283-L285 VanDerWaalsContact C-N 3.32Å; F283-L285 PolarHBondContact O-N 3.48Å; L285-R288 PolarHBondContact O-N 2.87Å
286	Q	42.9	Very low	43.7	Very low	151 Å²	151	89.9 Å²	89.9	71%	0.706	44%	0.436	S	S	*	.	H	α-helix	trans	-73.2	-35.7	177.2	-79.4	176.8	-4.5	0	0	112.5	S282 F283 R288	S282-Q286 WeakPolarHBondContact O-CB 3.49Å; S282-Q286 VanDerWaalsContact O-CG 3.26Å; S282-Q286 WeakPolarHBondContact O-CG 3.3Å; S282-Q286 PolarHBondContact O-N 2.9Å; F283-Q286 PolarHBondContact O-N 3.17Å; Q286-R288 PolarHBondContact O-N 3.04Å
287	N	44.1	Very low	44.4	Very low	111 Å²	111	90.9 Å²	90.9	59%	0.594	44%	0.439	S	S	*	.	S	Bend	trans	-75.3	-11.2	174.7	-75.4	-23.5	0	0	0	113.2	F283 S289	F283-N287 WeakPolarHBondContact CE1-ND2 3.05Å; F283-N287 VanDerWaalsContact CZ-ND2 3.25Å; F283-N287 WeakPolarHBondContact CZ-ND2 3.45Å; F283-N287 PolarHBondContact O-N 3.46Å; N287-S289 PolarHBondContact O-N 3.27Å
288	R	39.8	Very low	45.2	Very low	58 Å²	58	87.4 Å²	87.4	22%	0.219	42%	0.422	C	S	.	.	S	Bend	trans	-72.6	117.3	167	-79.7	-178	-176.2	-156.8	0.9	108.2	E284 L285 Q286 K290 T292	E284-R288 WeakPolarHBondContact O-CG 3.44Å; E284-R288 PolarHBondContact O-N 3.41Å; L285-R288 PolarHBondContact O-N 2.87Å; Q286-R288 PolarHBondContact O-N 3.04Å; R288-K290 PolarHBondContact O-N 3.12Å; R288-T292 HydrophobicContact CB-CG2 4.18Å; R288-T292 HydrophobicContact CG-CG2 4.41Å
289	S	40.9	Very low	45.9	Very low	65 Å²	65	81.8 Å²	81.8	46%	0.455	40%	0.398	S	S	.	.			trans	-51.1	143	172.1	67.4	0	0	0	0	109.6	N287 Q291 T292	N287-S289 PolarHBondContact O-N 3.27Å; S289-Q291 PolarHBondContact O-N 3.36Å; S289-T292 PolarHBondContact O-N 3.29Å; S289-T292 PolarHBondContact O-OG1 3.29Å
290	K	43.6	Very low	46.7	Very low	223 Å²	223	82.6 Å²	82.6	97%	0.97	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-9.9	175.8	-68.1	-179.9	178.9	177	0	113.4	R288	R288-K290 PolarHBondContact O-N 3.12Å
291	Q	42.8	Very low	47.2	Very low	134 Å²	134	81.2 Å²	81.2	63%	0.626	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-3.8	176.2	-83	166.2	-7.8	0	0	114.6	I160 S289	I160-Q291 HydrophobicContact CD1-CB 3.87Å; I160-Q291 HydrophobicContact CD1-CG 4.01Å; S289-Q291 PolarHBondContact O-N 3.36Å
292	T	45.6	Very low	47.8	Very low	39 Å²	39	78.9 Å²	78.9	24%	0.239	39%	0.387	C	S	.	.	S	Bend	trans	-78	137.3	177.4	58.2	0	0	0	0	112.3	T156 R288 S289 S294	T156-T292 HydrophobicContact CG2-CG2 4.32Å; R288-T292 HydrophobicContact CB-CG2 4.18Å; R288-T292 HydrophobicContact CG-CG2 4.41Å; S289-T292 PolarHBondContact O-N 3.29Å; S289-T292 PolarHBondContact O-OG1 3.29Å; T292-S294 PolarHBondContact O-N 2.89Å
293	Y	52.3	Low	48.2	Very low	9 Å²	9	79.6 Å²	79.6	4%	0.035	39%	0.386	C	S	.	.			trans	-69.9	99	177.1	-171.5	-115.3	0	0	0	110.4	H44 L159 N297 A298 N301	H44-Y293 PolarHBondContact NE2-O 3.44Å; L159-Y293 HydrophobicContact CB-CD2 4.4Å; L159-Y293 VanDerWaalsContact CD1-CB 3.49Å; L159-Y293 HydrophobicContact CD1-CD1 3.62Å; L159-Y293 HydrophobicContact CD1-CD2 3.4Å; L159-Y293 HydrophobicContact CD1-CE1 4.03Å; L159-Y293 HydrophobicContact CD1-CE2 3.84Å; L159-Y293 HydrophobicContact CD1-CG 3.25Å; L159-Y293 HydrophobicContact CD2-CD2 4.11Å; L159-Y293 HydrophobicContact CD2-CE2 3.79Å; L159-Y293 HydrophobicContact CG-CD2 4.21Å; L159-Y293 HydrophobicContact CG-CE2 4.39Å; L159-Y293 HydrophobicContact CG-CG 4.48Å; Y293-N297 HydrophobicContact CD2-CB 3.85Å; Y293-N297 HydrophobicContact CE2-CB 3.68Å; Y293-N297 HydrophobicContact CG-CB 4.46Å; Y293-N297 PolarHBondContact OH-O 3.24Å; Y293-A298 HydrophobicContact CD1-CB 4.13Å; Y293-A298 VanDerWaalsContact CE1-CA 3.48Å; Y293-A298 HydrophobicContact CE1-CB 3.54Å; Y293-N301 WeakPolarHBondContact OH-CB 3.24Å; Y293-N301 PolarHBondContact OH-ND2 2.84Å
294	S	57.6	Low	48.2	Very low	45 Å²	45	79.5 Å²	79.5	32%	0.315	40%	0.399	S	S	.	.			trans	-62.1	147.7	-178.2	72.9	0	0	0	0	112	T292 I296 N297 A298	T292-S294 PolarHBondContact O-N 2.89Å; S294-I296 PolarHBondContact O-N 2.9Å; S294-N297 WeakPolarHBondContact O-CA 3.37Å; S294-N297 WeakPolarHBondContact O-CB 3.34Å; S294-N297 PolarHBondContact O-N 3.32Å; S294-N297 PolarHBondContact OG-N 3.42Å; S294-N297 PolarHBondContact OG-ND2 3.47Å; S294-A298 PolarHBondContact O-N 3.28Å; S294-A298 VanDerWaalsContact O-N 3.09Å
295	Y	56.5	Low	47.9	Very low	73 Å²	73	81.8 Å²	81.8	29%	0.286	41%	0.41	S	S	.	.	H	α-helix	trans	-51.7	-37.8	173.8	172.8	-105.1	0	0	0	112.5	F42 P117 N118 N297 A298 V299	F42-Y295 HydrophobicContact CB-CD2 4.41Å; P117-Y295 HydrophobicContact CB-CD1 4.24Å; P117-Y295 HydrophobicContact CB-CG 3.95Å; N118-Y295 HydrophobicContact CB-CD2 4.17Å; N118-Y295 HydrophobicContact CB-CE1 4.12Å; N118-Y295 HydrophobicContact CB-CE2 3.49Å; N118-Y295 VanDerWaalsContact CB-CE2 3.49Å; N118-Y295 VanDerWaalsContact CB-CZ 3.43Å; N118-Y295 WeakPolarHBondContact CB-OH 3.37Å; Y295-N297 VanDerWaalsContact C-N 3.29Å; Y295-N297 PolarHBondContact O-N 3.43Å; Y295-A298 WeakPolarHBondContact O-CB 3.26Å; Y295-A298 PolarHBondContact O-N 2.89Å; Y295-A298 VanDerWaalsContact O-N 3.12Å; Y295-V299 HydrophobicContact CD1-CG2 4.18Å; Y295-V299 HydrophobicContact CD2-CG2 4.16Å; Y295-V299 HydrophobicContact CE1-CG2 3.71Å; Y295-V299 HydrophobicContact CE2-CG2 3.64Å; Y295-V299 HydrophobicContact CG-CG2 4.39Å; Y295-V299 VanDerWaalsContact CZ-CG2 3.41Å; Y295-V299 WeakPolarHBondContact O-CG2 3.27Å; Y295-V299 PolarHBondContact O-N 2.99Å
296	I	55.5	Low	47.8	Very low	84 Å²	84	83.4 Å²	83.4	43%	0.431	42%	0.424	S	S	.	.	H	α-helix	trans	-58.4	-41	174.7	-65.7	168.3	0	0	0	111.3	S294 R300	S294-I296 PolarHBondContact O-N 2.9Å; I296-R300 WeakPolarHBondContact O-CB 3.39Å; I296-R300 VanDerWaalsContact O-CG 3.28Å; I296-R300 WeakPolarHBondContact O-CG 3.41Å; I296-R300 PolarHBondContact O-N 3.11Å
297	N	53.9	Low	47.2	Very low	32 Å²	32	84.7 Å²	84.7	17%	0.171	42%	0.422	C	S	.	.	H	α-helix	trans	-68.6	-38.8	175.6	-73.9	-34.7	0	0	0	112.2	R163 Y293 S294 Y295 R300 N301	R163-N297 PolarHBondContact NH1-ND2 3.35Å; R163-N297 VanDerWaalsContact NH2-CG 3.29Å; R163-N297 PolarHBondContact NH2-ND2 3.02Å; R163-N297 PolarHBondContact NH2-OD1 2.93Å; Y293-N297 HydrophobicContact CD2-CB 3.85Å; Y293-N297 HydrophobicContact CE2-CB 3.68Å; Y293-N297 HydrophobicContact CG-CB 4.46Å; Y293-N297 PolarHBondContact OH-O 3.24Å; S294-N297 WeakPolarHBondContact O-CA 3.37Å; S294-N297 WeakPolarHBondContact O-CB 3.34Å; S294-N297 PolarHBondContact O-N 3.32Å; S294-N297 PolarHBondContact OG-N 3.42Å; S294-N297 PolarHBondContact OG-ND2 3.47Å; Y295-N297 VanDerWaalsContact C-N 3.29Å; Y295-N297 PolarHBondContact O-N 3.43Å; N297-R300 PolarHBondContact O-N 3.06Å; N297-N301 WeakPolarHBondContact O-CB 3.46Å; N297-N301 PolarHBondContact O-N 2.99Å
298	A	58.5	Low	46.7	Very low	0 Å²	0	84.5 Å²	84.5	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-60.5	-49.2	174.8	0	0	0	0	0	111.2	F42 Y293 S294 Y295 R300 N301 H302	F42-A298 HydrophobicContact CB-CB 4.16Å; F42-A298 HydrophobicContact CD1-CB 3.92Å; F42-A298 HydrophobicContact CD2-CB 4.43Å; F42-A298 HydrophobicContact CE1-CB 4.46Å; F42-A298 HydrophobicContact CG-CB 3.91Å; Y293-A298 HydrophobicContact CD1-CB 4.13Å; Y293-A298 VanDerWaalsContact CE1-CA 3.48Å; Y293-A298 HydrophobicContact CE1-CB 3.54Å; S294-A298 PolarHBondContact O-N 3.28Å; S294-A298 VanDerWaalsContact O-N 3.09Å; Y295-A298 WeakPolarHBondContact O-CB 3.26Å; Y295-A298 PolarHBondContact O-N 2.89Å; Y295-A298 VanDerWaalsContact O-N 3.12Å; A298-R300 PolarHBondContact O-N 3.31Å; A298-N301 PolarHBondContact O-N 2.93Å; A298-H302 WeakPolarHBondContact O-CB 3.45Å; A298-H302 PolarHBondContact O-CD2 3.05Å; A298-H302 PolarHBondContact O-N 2.98Å
299	V	52.9	Low	46.7	Very low	12 Å²	12	94.5 Å²	94.5	7%	0.073	46%	0.459	C	S	.	.	H	α-helix	trans	-62	-45	178.6	176.9	0	0	0	0	111.6	Y295 N303 L308	Y295-V299 HydrophobicContact CD1-CG2 4.18Å; Y295-V299 HydrophobicContact CD2-CG2 4.16Å; Y295-V299 HydrophobicContact CE1-CG2 3.71Å; Y295-V299 HydrophobicContact CE2-CG2 3.64Å; Y295-V299 HydrophobicContact CG-CG2 4.39Å; Y295-V299 VanDerWaalsContact CZ-CG2 3.41Å; Y295-V299 WeakPolarHBondContact O-CG2 3.27Å; Y295-V299 PolarHBondContact O-N 2.99Å; V299-N303 WeakPolarHBondContact O-CB 3.18Å; V299-N303 PolarHBondContact O-N 3.35Å; V299-L308 HydrophobicContact CG1-CD2 3.71Å
300	R	53.4	Low	47	Very low	127 Å²	127	96 Å²	96	48%	0.479	46%	0.459	S	S	.	.	H	α-helix	trans	-61.7	-46.8	178.9	-78.1	176.9	-177.6	170.3	0.5	112.8	I296 N297 A298 H302	I296-R300 WeakPolarHBondContact O-CB 3.39Å; I296-R300 VanDerWaalsContact O-CG 3.28Å; I296-R300 WeakPolarHBondContact O-CG 3.41Å; I296-R300 PolarHBondContact O-N 3.11Å; N297-R300 PolarHBondContact O-N 3.06Å; A298-R300 PolarHBondContact O-N 3.31Å; R300-H302 VanDerWaalsContact C-N 3.32Å; R300-H302 PolarHBondContact O-N 2.87Å
301	N	52.8	Low	47.2	Very low	94 Å²	94	89.3 Å²	89.3	50%	0.503	43%	0.432	S	S	.	.	H	α-helix	trans	-71	-27.7	-175.7	-76	-14.1	0	0	0	113.1	Y293 N297 A298	Y293-N301 WeakPolarHBondContact OH-CB 3.24Å; Y293-N301 PolarHBondContact OH-ND2 2.84Å; N297-N301 WeakPolarHBondContact O-CB 3.46Å; N297-N301 PolarHBondContact O-N 2.99Å; A298-N301 PolarHBondContact O-N 2.93Å
302	H	51.6	Low	47.4	Very low	38 Å²	38	86.8 Å²	86.8	18%	0.176	42%	0.421	C	S	.	.	H	α-helix	trans	-106.4	-18.7	-171.2	-76.7	-90.6	0	0	0	115.6	F42 E52 W154 A298 R300	F42-H302 HydrophobicContact CE1-CB 4.17Å; F42-H302 AromaticContact CE1-CD2 3.55Å; F42-H302 AromaticContact CE1-CG 3.7Å; F42-H302 AromaticContact CE1-NE2 3.79Å; F42-H302 HydrophobicContact CE2-CB 4.37Å; F42-H302 HydrophobicContact CZ-CB 3.52Å; F42-H302 AromaticContact CZ-CD2 3.84Å; F42-H302 AromaticContact CZ-CG 3.58Å; E52-H302 IonicContact OE2-CE1 2.67Å; E52-H302 PolarHBondContact OE2-CE1 3.46Å; E52-H302 IonicContact OE2-ND1 3.13Å; E52-H302 PolarHBondContact OE2-ND1 3.23Å; E52-H302 IonicContact OE2-NE2 3.98Å; W154-H302 AromaticContact CE2-CE1 3.85Å; W154-H302 AromaticContact CE2-NE2 3.57Å; W154-H302 AromaticContact CZ2-CE1 3.38Å; W154-H302 WeakPolarHBondContact CZ2-CE1 2.99Å; W154-H302 AromaticContact CZ2-NE2 3.38Å; W154-H302 WeakPolarHBondContact CZ2-NE2 3.46Å; W154-H302 AromaticContact NE1-CE1 3.86Å; W154-H302 AromaticContact NE1-NE2 3.62Å; A298-H302 WeakPolarHBondContact O-CB 3.45Å; A298-H302 PolarHBondContact O-CD2 3.05Å; A298-H302 PolarHBondContact O-N 2.98Å; R300-H302 VanDerWaalsContact C-N 3.32Å; R300-H302 PolarHBondContact O-N 2.87Å
303	N	47	Very low	47.5	Very low	72 Å²	72	89.6 Å²	89.6	39%	0.385	43%	0.432	S	S	.	.	H	α-helix	trans	-102	2.9	174.2	-71.1	-33.2	0	0	0	112.8	R40 V299 H305	R40-N303 PolarHBondContact NH1-OD1 2.88Å; R40-N303 VanDerWaalsContact NH1-OD1 3.16Å; V299-N303 WeakPolarHBondContact O-CB 3.18Å; V299-N303 PolarHBondContact O-N 3.35Å; N303-H305 PolarHBondContact O-CD2 2.98Å; N303-H305 PolarHBondContact O-N 3.05Å
304	C	40.1	Very low	47.2	Very low	118 Å²	118	94.7 Å²	94.7	80%	0.797	46%	0.457	S	S	*	.			trans	48.9	19.6	-175.8	-61.9	0	0	0	0	114.4
305	H	32	Very low	46.5	Very low	127 Å²	127	98 Å²	98	59%	0.588	47%	0.466	S	S	*	.			trans	-99.9	122.4	179.1	-88.5	-76	0	0	0	109.8	N303 R307	N303-H305 PolarHBondContact O-CD2 2.98Å; N303-H305 PolarHBondContact O-N 3.05Å; H305-R307 VanDerWaalsContact C-N 3.33Å
306	T	41.1	Very low	45.8	Very low	139 Å²	139	99.8 Å²	99.8	85%	0.853	48%	0.479	S	S	*	.	S	Bend	trans	-81.8	-9.6	173	43.5	0	0	0	0	113.2
307	R	29.4	Very low	45.1	Very low	179 Å²	179	101 Å²	101	68%	0.675	48%	0.483	S	S	*	.			trans	-135.4	123.8	-174.3	-142.2	158.1	159.2	-160.5	-8.8	111	H305 W309	H305-R307 VanDerWaalsContact C-N 3.33Å; R307-W309 HydrophobicContact CB-CE3 4.27Å; R307-W309 HydrophobicContact CB-CZ3 3.93Å; R307-W309 VanDerWaalsContact CD-CZ3 3.41Å; R307-W309 HydrophobicContact CG-CE3 3.76Å; R307-W309 HydrophobicContact CG-CZ3 3.53Å
308	L	33.7	Very low	44.3	Very low	107 Å²	107	106.8 Å²	106.8	56%	0.56	51%	0.509	S	S	*	.			trans	-107.6	116.7	177.3	-66.5	166.8	0	0	0	107	V299	V299-L308 HydrophobicContact CG1-CD2 3.71Å
309	W	39.4	Very low	43	Very low	268 Å²	268	116.5 Å²	116.5	100%	1.015	56%	0.555	S	S	*	*			trans	-133.7	0	160.8	53.5	67.2	0	0	0	108.8	R307	R307-W309 HydrophobicContact CB-CE3 4.27Å; R307-W309 HydrophobicContact CB-CZ3 3.93Å; R307-W309 VanDerWaalsContact CD-CZ3 3.41Å; R307-W309 HydrophobicContact CG-CE3 3.76Å; R307-W309 HydrophobicContact CG-CZ3 3.53Å

Retrieved 309 of 309 residues in 563.5 ms (Link to these results)

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