A0A077ZL50_TRITR Loading...

BTB 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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	45.4	Very low	86.1	Confident	245 Å²	245	77.5 Å²	77.5	100%	1.207	42%	0.422	S	S	*	.				0	129.8	0	-69.4	-174	-172.5	0	0	108.6	S3	M1-S3 PolarHBondContact O-N 3.45Å
2	A	70.3	Confident	86.8	Confident	85 Å²	85	76.5 Å²	76.5	70%	0.702	44%	0.443	S	S	*	.			trans	-72.5	129.7	178.6	0	0	0	0	0	109.4	R4 K19	A2-R4 PolarHBondContact O-N 3.28Å; A2-K19 VanDerWaalsContact CB-NZ 3.27Å
3	S	79.3	Confident	87.6	Confident	76 Å²	76	78.2 Å²	78.2	53%	0.531	45%	0.445	S	S	.	.			trans	-53.2	137.2	-179.8	-176	0	0	0	0	111.3	M1 W5 K19	M1-S3 PolarHBondContact O-N 3.45Å; S3-W5 VanDerWaalsContact C-N 3.27Å; S3-W5 PolarHBondContact OG-N 2.99Å; S3-W5 PolarHBondContact OG-O 3.33Å; S3-K19 WeakPolarHBondContact O-CD 3.47Å; S3-K19 WeakPolarHBondContact O-CE 3.35Å; S3-K19 PolarHBondContact O-NZ 3.34Å
4	R	91.5	Very high	88.2	Confident	164 Å²	164	78.4 Å²	78.4	62%	0.619	45%	0.448	S	S	*	.	S	Bend	trans	-66.5	-32.9	175	172.2	177.6	164	170	-3.1	111.3	A2 S18 K19	A2-R4 PolarHBondContact O-N 3.28Å; R4-S18 VanDerWaalsContact O-CA 3.32Å; R4-S18 WeakPolarHBondContact O-CA 3.43Å; R4-K19 PolarHBondContact O-N 3.18Å
5	W	93.8	Very high	88.8	Confident	152 Å²	152	74.7 Å²	74.7	58%	0.576	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	145.9	-177.4	-62.7	104.2	0	0	0	110.9	S3 V16 T17	S3-W5 VanDerWaalsContact C-N 3.27Å; S3-W5 PolarHBondContact OG-N 2.99Å; S3-W5 PolarHBondContact OG-O 3.33Å; W5-V16 HydrophobicContact CE3-CG1 4.05Å; W5-T17 CarbonylContact C-O 3.56Å; W5-T17 WeakPolarHBondContact CA-O 3.5Å
6	V	92.5	Very high	89.2	Confident	9 Å²	9	74.5 Å²	74.5	6%	0.055	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.5	-179.9	176.1	0	0	0	0	107.8	L8 T17 K19 L22 L34 F44	V6-L8 HydrophobicContact CG1-CD2 3.95Å; V6-T17 PolarHBondContact N-O 2.98Å; V6-T17 PolarHBondContact O-N 2.98Å; V6-K19 HydrophobicContact CG2-CD 4.31Å; V6-K19 HydrophobicContact CG2-CG 3.43Å; V6-K19 VanDerWaalsContact CG2-CG 3.43Å; V6-L22 HydrophobicContact CB-CD1 4.43Å; V6-L22 HydrophobicContact CG1-CD1 4.2Å; V6-L34 HydrophobicContact CG1-CD2 3.99Å; V6-F44 HydrophobicContact CG1-CD2 3.49Å; V6-F44 VanDerWaalsContact CG1-CD2 3.49Å; V6-F44 HydrophobicContact CG1-CE2 3.56Å
7	S	94.5	Very high	89.5	Confident	43 Å²	43	70.2 Å²	70.2	30%	0.301	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.9	170.3	-58.4	0	0	0	0	109.3	F15 A43 F44	S7-F15 CarbonylContact C-O 3.58Å; S7-F15 WeakPolarHBondContact CA-O 3.28Å; S7-A43 VanDerWaalsContact CB-CB 3.5Å; S7-A43 CarbonylContact O-C 3.56Å; S7-A43 VanDerWaalsContact O-CA 3.27Å; S7-A43 WeakPolarHBondContact O-CA 3.2Å; S7-F44 PolarHBondContact O-N 2.81Å
8	L	94.8	Very high	89.7	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130.5	174.8	-54.8	176.8	0	0	0	107.6	V6 V10 T14 F15 T17 L22 F44 I46 F53	V6-L8 HydrophobicContact CG1-CD2 3.95Å; L8-V10 HydrophobicContact CB-CG2 4.31Å; L8-T14 CarbonylContact O-C 3.54Å; L8-T14 VanDerWaalsContact O-CA 3.28Å; L8-T14 WeakPolarHBondContact O-CA 3.35Å; L8-F15 HydrophobicContact CB-CB 4.45Å; L8-F15 PolarHBondContact N-O 3.23Å; L8-F15 PolarHBondContact O-N 3.4Å; L8-T17 HydrophobicContact CD1-CG2 4.27Å; L8-L22 HydrophobicContact CD1-CD1 4.36Å; L8-L22 HydrophobicContact CD1-CD2 4.13Å; L8-L22 HydrophobicContact CD2-CD1 4.26Å; L8-F44 CarbonylContact C-O 3.53Å; L8-F44 WeakPolarHBondContact CA-O 3.42Å; L8-F44 HydrophobicContact CD2-CB 3.95Å; L8-F44 HydrophobicContact CD2-CD2 4.19Å; L8-I46 HydrophobicContact CB-CD1 4.29Å; L8-I46 HydrophobicContact CD1-CD1 4.28Å; L8-I46 HydrophobicContact CD2-CD1 4.31Å; L8-F53 HydrophobicContact CD1-CE1 4.08Å; L8-F53 HydrophobicContact CD1-CZ 3.71Å
9	N	95.3	Very high	89.7	Confident	27 Å²	27	67.4 Å²	67.4	14%	0.144	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.9	172.2	-175.4	-22	0	0	0	107.9	G12 D39 A43 F44 L45 I46	N9-G12 WeakPolarHBondContact OD1-CA 3.37Å; N9-G12 PolarHBondContact OD1-N 2.92Å; N9-G12 VanDerWaalsContact OD1-N 3.08Å; N9-D39 PolarHBondContact ND2-OD2 2.86Å; N9-A43 HydrophobicContact CB-CB 4.09Å; N9-F44 PolarHBondContact N-O 3.13Å; N9-L45 HydrophobicContact CB-CD2 3.95Å; N9-I46 PolarHBondContact O-N 3.42Å
10	V	95.6	Very high	89.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106	-176.2	-173.6	0	0	0	0	108.2	L8 G12 Q13 F15 I46 R48 P50 F53	L8-V10 HydrophobicContact CB-CG2 4.31Å; V10-G12 PolarHBondContact O-N 2.96Å; V10-G12 VanDerWaalsContact O-N 3.07Å; V10-Q13 PolarHBondContact N-O 3.29Å; V10-Q13 PolarHBondContact O-N 3.4Å; V10-F15 HydrophobicContact CB-CD2 4.04Å; V10-F15 HydrophobicContact CB-CE2 3.91Å; V10-F15 HydrophobicContact CG2-CD2 3.75Å; V10-F15 HydrophobicContact CG2-CE2 4.07Å; V10-I46 CarbonylContact C-O 3.55Å; V10-I46 WeakPolarHBondContact CA-O 3.47Å; V10-I46 HydrophobicContact CB-CB 4.45Å; V10-I46 HydrophobicContact CG1-CB 4.44Å; V10-I46 HydrophobicContact CG1-CG2 4.24Å; V10-I46 HydrophobicContact CG2-CB 4.08Å; V10-I46 HydrophobicContact CG2-CD1 4.08Å; V10-I46 HydrophobicContact CG2-CG1 4.49Å; V10-I46 HydrophobicContact CG2-CG2 4.48Å; V10-R48 HydrophobicContact CG1-CB 4.21Å; V10-R48 WeakPolarHBondContact CG1-O 3.48Å; V10-P50 HydrophobicContact CB-CB 4.22Å; V10-P50 HydrophobicContact CG1-CB 4.18Å; V10-P50 VanDerWaalsContact O-CB 3.3Å; V10-P50 WeakPolarHBondContact O-CB 3.19Å; V10-P50 WeakPolarHBondContact O-CG 3.29Å; V10-F53 HydrophobicContact CB-CD1 4.5Å; V10-F53 HydrophobicContact CG1-CB 4.08Å; V10-F53 HydrophobicContact CG1-CG 4.17Å; V10-F53 HydrophobicContact CG2-CD1 3.74Å; V10-F53 HydrophobicContact CG2-CD2 4.4Å; V10-F53 HydrophobicContact CG2-CE1 3.86Å; V10-F53 HydrophobicContact CG2-CG 4.02Å; V10-F53 HydrophobicContact CG2-CZ 4.26Å
11	G	94.7	Very high	89.9	Confident	47 Å²	47	68.1 Å²	68.1	49%	0.485	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	31.3	178.9	0	0	0	0	0	114.4	I46 R48	G11-I46 PolarHBondContact N-O 3.43Å; G11-R48 VanDerWaalsContact CA-O 3.31Å; G11-R48 WeakPolarHBondContact CA-O 3.39Å; G11-R48 PolarHBondContact N-O 3.48Å
12	G	94.3	Very high	92	Very high	65 Å²	65	56.5 Å²	56.5	67%	0.67	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	-7.9	-177.6	0	0	0	0	0	115.4	N9 V10	N9-G12 WeakPolarHBondContact OD1-CA 3.37Å; N9-G12 PolarHBondContact OD1-N 2.92Å; N9-G12 VanDerWaalsContact OD1-N 3.08Å; V10-G12 PolarHBondContact O-N 2.96Å; V10-G12 VanDerWaalsContact O-N 3.07Å
13	Q	96.7	Very high	92.8	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.463	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.7	175.7	-174	170.2	4.9	0	0	111.5	V10 F15 P50	V10-Q13 PolarHBondContact N-O 3.29Å; V10-Q13 PolarHBondContact O-N 3.4Å; Q13-F15 HydrophobicContact CB-CE2 3.98Å; Q13-F15 HydrophobicContact CG-CD2 4.48Å; Q13-F15 HydrophobicContact CG-CE2 3.8Å; Q13-F15 HydrophobicContact CG-CZ 4.09Å; Q13-F15 WeakPolarHBondContact O-CD2 3.33Å; Q13-P50 HydrophobicContact CB-CB 3.58Å; Q13-P50 HydrophobicContact CB-CG 3.85Å; Q13-P50 HydrophobicContact CG-CB 4.3Å; Q13-P50 VanDerWaalsContact OE1-CB 3.32Å
14	T	96.2	Very high	93	Very high	80 Å²	80	57.3 Å²	57.3	49%	0.491	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129	179.4	-47.4	0	0	0	0	112.4	L8	L8-T14 CarbonylContact O-C 3.54Å; L8-T14 VanDerWaalsContact O-CA 3.28Å; L8-T14 WeakPolarHBondContact O-CA 3.35Å
15	F	96.6	Very high	92.5	Very high	24 Å²	24	51.3 Å²	51.3	11%	0.105	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.9	171.7	-64.8	-96.6	0	0	0	109.8	S7 L8 V10 Q13 P50 F53 A54 L57	S7-F15 CarbonylContact C-O 3.58Å; S7-F15 WeakPolarHBondContact CA-O 3.28Å; L8-F15 HydrophobicContact CB-CB 4.45Å; L8-F15 PolarHBondContact N-O 3.23Å; L8-F15 PolarHBondContact O-N 3.4Å; V10-F15 HydrophobicContact CB-CD2 4.04Å; V10-F15 HydrophobicContact CB-CE2 3.91Å; V10-F15 HydrophobicContact CG2-CD2 3.75Å; V10-F15 HydrophobicContact CG2-CE2 4.07Å; Q13-F15 HydrophobicContact CB-CE2 3.98Å; Q13-F15 HydrophobicContact CG-CD2 4.48Å; Q13-F15 HydrophobicContact CG-CE2 3.8Å; Q13-F15 HydrophobicContact CG-CZ 4.09Å; Q13-F15 WeakPolarHBondContact O-CD2 3.33Å; F15-P50 HydrophobicContact CE2-CB 3.75Å; F15-P50 HydrophobicContact CZ-CB 4.01Å; F15-F53 HydrophobicContact CB-CE1 4.11Å; F15-F53 AromaticContact CD1-CD1 3.91Å; F15-F53 HydrophobicContact CD1-CD1 3.91Å; F15-F53 HydrophobicContact CD1-CE1 4.22Å; F15-F53 AromaticContact CD2-CD1 3.72Å; F15-F53 HydrophobicContact CD2-CD1 3.72Å; F15-F53 HydrophobicContact CD2-CE1 4.07Å; F15-F53 AromaticContact CE1-CD1 3.99Å; F15-F53 HydrophobicContact CE1-CD1 3.99Å; F15-F53 AromaticContact CE2-CD1 3.82Å; F15-F53 HydrophobicContact CE2-CD1 3.82Å; F15-F53 AromaticContact CG-CD1 3.78Å; F15-F53 HydrophobicContact CG-CD1 3.78Å; F15-F53 AromaticContact CG-CE1 3.87Å; F15-F53 HydrophobicContact CG-CE1 3.87Å; F15-F53 HydrophobicContact CZ-CB 4.44Å; F15-F53 AromaticContact CZ-CD1 3.95Å; F15-F53 HydrophobicContact CZ-CD1 3.95Å; F15-A54 HydrophobicContact CE1-CB 4.16Å; F15-L57 HydrophobicContact CB-CD2 4.12Å; F15-L57 HydrophobicContact CD1-CD2 4.01Å; F15-L57 HydrophobicContact CG-CD2 4.44Å
16	V	95.7	Very high	91.7	Very high	71 Å²	71	53.1 Å²	53.1	43%	0.43	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.1	175.2	-176.7	0	0	0	0	109.9	W5 R61	W5-V16 HydrophobicContact CE3-CG1 4.05Å; V16-R61 PolarHBondContact O-NH2 3.02Å
17	T	94.7	Very high	90.9	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	178.2	-179.9	-165.5	0	0	0	0	111.5	W5 V6 L8 T21 L22 L57	W5-T17 CarbonylContact C-O 3.56Å; W5-T17 WeakPolarHBondContact CA-O 3.5Å; V6-T17 PolarHBondContact N-O 2.98Å; V6-T17 PolarHBondContact O-N 2.98Å; L8-T17 HydrophobicContact CD1-CG2 4.27Å; T17-T21 WeakPolarHBondContact OG1-CB 3.25Å; T17-T21 WeakPolarHBondContact OG1-CG2 3.27Å; T17-L22 HydrophobicContact CG2-CD1 3.8Å; T17-L22 HydrophobicContact CG2-CD2 3.91Å; T17-L22 HydrophobicContact CG2-CG 3.74Å; T17-L57 HydrophobicContact CG2-CD1 4.18Å
18	S	92.7	Very high	90.1	Very high	8 Å²	8	58.1 Å²	58.1	6%	0.056	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	151.9	176.4	78.5	0	0	0	0	111.7	R4 Q20 T21 L22	R4-S18 VanDerWaalsContact O-CA 3.32Å; R4-S18 WeakPolarHBondContact O-CA 3.43Å; S18-Q20 PolarHBondContact O-N 3.26Å; S18-Q20 PolarHBondContact OG-N 3.27Å; S18-T21 WeakPolarHBondContact O-CB 3.41Å; S18-T21 PolarHBondContact O-N 3.48Å; S18-T21 PolarHBondContact OG-N 3.12Å; S18-T21 VanDerWaalsContact OG-N 3.1Å; S18-T21 PolarHBondContact OG-OG1 3.35Å; S18-L22 PolarHBondContact O-N 3.38Å
19	K	89.8	Confident	89.4	Confident	78 Å²	78	61.7 Å²	61.7	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-54.4	-36.7	169.7	-69	-177.3	176.7	165	0	111.9	A2 S3 R4 V6 T21 L22 S23	A2-K19 VanDerWaalsContact CB-NZ 3.27Å; S3-K19 WeakPolarHBondContact O-CD 3.47Å; S3-K19 WeakPolarHBondContact O-CE 3.35Å; S3-K19 PolarHBondContact O-NZ 3.34Å; R4-K19 PolarHBondContact O-N 3.18Å; V6-K19 HydrophobicContact CG2-CD 4.31Å; V6-K19 HydrophobicContact CG2-CG 3.43Å; V6-K19 VanDerWaalsContact CG2-CG 3.43Å; K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 3.5Å; K19-L22 PolarHBondContact O-N 2.87Å; K19-S23 WeakPolarHBondContact O-CB 3.47Å; K19-S23 PolarHBondContact O-N 3.44Å; K19-S23 PolarHBondContact O-OG 3.13Å
20	Q	90.7	Very high	88.6	Confident	137 Å²	137	60.5 Å²	60.5	64%	0.64	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-38.8	177.7	-173.8	-178.5	16.8	0	0	112.3	S18 R24	S18-Q20 PolarHBondContact O-N 3.26Å; S18-Q20 PolarHBondContact OG-N 3.27Å; Q20-R24 WeakPolarHBondContact O-CG 3.45Å; Q20-R24 PolarHBondContact O-N 2.91Å
21	T	92.6	Very high	87.8	Confident	14 Å²	14	64 Å²	64	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-45.4	176.9	-55.7	0	0	0	0	111.1	T17 S18 K19 R24 L57 L60 R61	T17-T21 WeakPolarHBondContact OG1-CB 3.25Å; T17-T21 WeakPolarHBondContact OG1-CG2 3.27Å; S18-T21 WeakPolarHBondContact O-CB 3.41Å; S18-T21 PolarHBondContact O-N 3.48Å; S18-T21 PolarHBondContact OG-N 3.12Å; S18-T21 VanDerWaalsContact OG-N 3.1Å; S18-T21 PolarHBondContact OG-OG1 3.35Å; K19-T21 VanDerWaalsContact C-N 3.3Å; K19-T21 PolarHBondContact O-N 3.5Å; T21-R24 WeakPolarHBondContact O-CG 3.25Å; T21-R24 PolarHBondContact O-N 3.3Å; T21-L57 HydrophobicContact CG2-CD1 4.23Å; T21-L60 HydrophobicContact CG2-CB 3.76Å; T21-R61 HydrophobicContact CG2-CG 3.78Å
22	L	90	Very high	86.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-71	-31	179.7	-60.7	176.9	0	0	0	112.6	V6 L8 T17 S18 K19 R24 L30 L34 L60	V6-L22 HydrophobicContact CB-CD1 4.43Å; V6-L22 HydrophobicContact CG1-CD1 4.2Å; L8-L22 HydrophobicContact CD1-CD1 4.36Å; L8-L22 HydrophobicContact CD1-CD2 4.13Å; L8-L22 HydrophobicContact CD2-CD1 4.26Å; T17-L22 HydrophobicContact CG2-CD1 3.8Å; T17-L22 HydrophobicContact CG2-CD2 3.91Å; T17-L22 HydrophobicContact CG2-CG 3.74Å; S18-L22 PolarHBondContact O-N 3.38Å; K19-L22 PolarHBondContact O-N 2.87Å; L22-R24 VanDerWaalsContact C-N 3.26Å; L22-R24 PolarHBondContact O-N 2.91Å; L22-L30 HydrophobicContact CD2-CB 4.27Å; L22-L30 HydrophobicContact CD2-CD1 4.47Å; L22-L34 HydrophobicContact CD1-CD2 3.75Å; L22-L34 HydrophobicContact CD1-CG 4.49Å; L22-L60 HydrophobicContact CD2-CD1 4.41Å
23	S	86.4	Confident	86.1	Confident	38 Å²	38	65.2 Å²	65.2	27%	0.266	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.2	177.8	-59.3	0	0	0	0	114.8	K19 N25 F31	K19-S23 WeakPolarHBondContact O-CB 3.47Å; K19-S23 PolarHBondContact O-N 3.44Å; K19-S23 PolarHBondContact O-OG 3.13Å; S23-N25 PolarHBondContact O-N 2.96Å; S23-F31 WeakPolarHBondContact OG-CE2 3.35Å
24	R	84.7	Confident	85	Confident	140 Å²	140	62.5 Å²	62.5	53%	0.528	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.5	-179.9	-74.2	-156.2	-174	171.9	-2.2	113.1	Q20 T21 L22 L60 R61	Q20-R24 WeakPolarHBondContact O-CG 3.45Å; Q20-R24 PolarHBondContact O-N 2.91Å; T21-R24 WeakPolarHBondContact O-CG 3.25Å; T21-R24 PolarHBondContact O-N 3.3Å; L22-R24 VanDerWaalsContact C-N 3.26Å; L22-R24 PolarHBondContact O-N 2.91Å; R24-L60 WeakPolarHBondContact CD-O 3.48Å; R24-L60 PolarHBondContact NE-O 3.01Å; R24-L60 PolarHBondContact NH1-O 3.03Å; R24-R61 PolarHBondContact NH1-O 3.32Å; R24-R61 PolarHBondContact NH2-O 3.28Å
25	N	80.4	Confident	83.8	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.203	32%	0.315	C	S	.	.	S	Bend	trans	-124.1	100.7	169.3	-174.3	-3.2	0	0	0	108.2	S23 E27 S28 N84 L85	S23-N25 PolarHBondContact O-N 2.96Å; N25-E27 PolarHBondContact O-N 3.5Å; N25-E27 PolarHBondContact OD1-N 3.27Å; N25-S28 VanDerWaalsContact O-CB 3.27Å; N25-S28 WeakPolarHBondContact O-CB 3.45Å; N25-S28 PolarHBondContact O-N 3.27Å; N25-S28 PolarHBondContact O-OG 3.14Å; N25-N84 PolarHBondContact ND2-O 3.22Å; N25-L85 HydrophobicContact CB-CD2 4.07Å
26	R	76	Confident	83	Confident	190 Å²	190	67 Å²	67	72%	0.717	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.3	-177.7	-66	-173.2	178.9	-140.8	3.1	113.1	S28 F31	R26-S28 VanDerWaalsContact C-N 3.33Å; R26-F31 HydrophobicContact CB-CD1 4.45Å; R26-F31 WeakPolarHBondContact O-CD1 3.48Å
27	E	76.6	Confident	82.6	Confident	156 Å²	156	69.1 Å²	69.1	73%	0.729	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-4	175.8	-58.1	-178.4	172.5	0	0	112.2	N25 N84	N25-E27 PolarHBondContact O-N 3.5Å; N25-E27 PolarHBondContact OD1-N 3.27Å; E27-N84 PolarHBondContact O-ND2 2.93Å
28	S	77.8	Confident	82.4	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.014	35%	0.349	C	S	.	.	S	Bend	trans	-71	144.5	176	71.5	0	0	0	0	111.1	N25 R26 L30 F31 Y83	N25-S28 VanDerWaalsContact O-CB 3.27Å; N25-S28 WeakPolarHBondContact O-CB 3.45Å; N25-S28 PolarHBondContact O-N 3.27Å; N25-S28 PolarHBondContact O-OG 3.14Å; R26-S28 VanDerWaalsContact C-N 3.33Å; S28-L30 PolarHBondContact O-N 3.16Å; S28-L30 VanDerWaalsContact O-N 3.13Å; S28-F31 PolarHBondContact O-N 2.97Å; S28-Y83 VanDerWaalsContact CA-O 3.3Å; S28-Y83 WeakPolarHBondContact CA-O 3.49Å; S28-Y83 VanDerWaalsContact CB-O 3.32Å; S28-Y83 WeakPolarHBondContact CB-O 3.18Å
29	F	79.2	Confident	82.4	Confident	79 Å²	79	75.9 Å²	75.9	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-58	-27.2	175	-171.4	-99	0	0	0	112.1	F31 S32 R33 F82 Y83	F29-F31 VanDerWaalsContact C-N 3.29Å; F29-F31 PolarHBondContact O-N 3.49Å; F29-S32 PolarHBondContact O-N 3.2Å; F29-S32 PolarHBondContact O-OG 3.39Å; F29-R33 WeakPolarHBondContact O-CB 3.44Å; F29-R33 PolarHBondContact O-N 3.18Å; F29-F82 AromaticContact CD1-CE1 3.76Å; F29-F82 HydrophobicContact CD1-CE1 3.76Å; F29-F82 HydrophobicContact CD1-CZ 4.07Å; F29-F82 AromaticContact CE1-CE1 3.83Å; F29-F82 HydrophobicContact CE1-CE1 3.83Å; F29-F82 AromaticContact CE1-CZ 3.72Å; F29-F82 HydrophobicContact CE1-CZ 3.72Å; F29-F82 HydrophobicContact CZ-CZ 4.21Å; F29-Y83 HydrophobicContact CB-CD1 4.49Å; F29-Y83 HydrophobicContact CD1-CD1 4.34Å; F29-Y83 PolarHBondContact N-O 3.46Å
30	L	79.2	Confident	82.5	Confident	3 Å²	3	81.1 Å²	81.1	2%	0.016	38%	0.379	C	S	.	.	H	α-helix	trans	-65.8	-31.2	176.9	-70.5	171.5	0	0	0	113	L22 S28 I46 F53 V56 L60 Y83	L22-L30 HydrophobicContact CD2-CB 4.27Å; L22-L30 HydrophobicContact CD2-CD1 4.47Å; S28-L30 PolarHBondContact O-N 3.16Å; S28-L30 VanDerWaalsContact O-N 3.13Å; L30-I46 HydrophobicContact CD2-CD1 3.77Å; L30-F53 HydrophobicContact CD1-CE2 4.04Å; L30-F53 HydrophobicContact CD1-CZ 4.45Å; L30-F53 HydrophobicContact CD2-CE2 3.88Å; L30-F53 HydrophobicContact CD2-CZ 4.24Å; L30-V56 HydrophobicContact CD1-CG1 4.38Å; L30-L60 HydrophobicContact CD1-CD1 3.59Å; L30-Y83 HydrophobicContact CD1-CD1 4.07Å; L30-Y83 HydrophobicContact CD1-CG 4.07Å; L30-Y83 HydrophobicContact CD2-CD1 3.57Å; L30-Y83 HydrophobicContact CD2-CE1 3.56Å; L30-Y83 HydrophobicContact CD2-CG 4.38Å; L30-Y83 HydrophobicContact CG-CD1 3.49Å; L30-Y83 VanDerWaalsContact CG-CD1 3.49Å; L30-Y83 HydrophobicContact CG-CE1 4.04Å; L30-Y83 HydrophobicContact CG-CG 3.96Å
31	F	78.2	Confident	82.6	Confident	72 Å²	72	80.7 Å²	80.7	32%	0.316	38%	0.382	S	S	.	.	H	α-helix	trans	-72.4	-41.7	176.3	-174.2	-104.4	0	0	0	111.4	S23 R26 S28 F29 R33 L34	S23-F31 WeakPolarHBondContact OG-CE2 3.35Å; R26-F31 HydrophobicContact CB-CD1 4.45Å; R26-F31 WeakPolarHBondContact O-CD1 3.48Å; S28-F31 PolarHBondContact O-N 2.97Å; F29-F31 VanDerWaalsContact C-N 3.29Å; F29-F31 PolarHBondContact O-N 3.49Å; F31-R33 VanDerWaalsContact C-N 3.31Å; F31-R33 PolarHBondContact O-N 3.29Å; F31-L34 HydrophobicContact CD2-CD1 4.22Å; F31-L34 HydrophobicContact CE2-CD1 4.46Å; F31-L34 WeakPolarHBondContact O-CB 3.2Å; F31-L34 PolarHBondContact O-N 2.96Å
32	S	77.4	Confident	82.5	Confident	65 Å²	65	81.9 Å²	81.9	46%	0.455	40%	0.396	S	S	.	.	H	α-helix	trans	-68.7	-30.3	175.9	62	0	0	0	0	112.4	F29 L34 Q35	F29-S32 PolarHBondContact O-N 3.2Å; F29-S32 PolarHBondContact O-OG 3.39Å; S32-L34 PolarHBondContact O-N 3.28Å; S32-L34 VanDerWaalsContact O-N 3.15Å; S32-Q35 PolarHBondContact O-N 2.91Å
33	R	76.3	Confident	82.7	Confident	73 Å²	73	82 Å²	82	28%	0.275	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-67.8	-10	177.8	-157.7	66.6	-172.2	159.3	3	114.1	F29 F31 Q35 S36 L45 I46	F29-R33 WeakPolarHBondContact O-CB 3.44Å; F29-R33 PolarHBondContact O-N 3.18Å; F31-R33 VanDerWaalsContact C-N 3.31Å; F31-R33 PolarHBondContact O-N 3.29Å; R33-Q35 PolarHBondContact O-N 2.97Å; R33-S36 VanDerWaalsContact CD-CB 3.46Å; R33-S36 WeakPolarHBondContact CD-OG 3.47Å; R33-S36 WeakPolarHBondContact CG-OG 3.42Å; R33-S36 PolarHBondContact NE-OG 3.44Å; R33-S36 VanDerWaalsContact O-CB 3.27Å; R33-S36 WeakPolarHBondContact O-CB 3.4Å; R33-S36 PolarHBondContact O-N 3.3Å; R33-S36 PolarHBondContact O-OG 3.44Å; R33-L45 PolarHBondContact NE-O 2.92Å; R33-L45 PolarHBondContact NH2-O 2.77Å; R33-I46 HydrophobicContact CG-CG1 4.14Å
34	L	73	Confident	83	Confident	42 Å²	42	81.1 Å²	81.1	22%	0.22	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-65.3	-0.5	170	-65.5	179.2	0	0	0	114.1	V6 L22 F31 S32 F44	V6-L34 HydrophobicContact CG1-CD2 3.99Å; L22-L34 HydrophobicContact CD1-CD2 3.75Å; L22-L34 HydrophobicContact CD1-CG 4.49Å; F31-L34 HydrophobicContact CD2-CD1 4.22Å; F31-L34 HydrophobicContact CE2-CD1 4.46Å; F31-L34 WeakPolarHBondContact O-CB 3.2Å; F31-L34 PolarHBondContact O-N 2.96Å; S32-L34 PolarHBondContact O-N 3.28Å; S32-L34 VanDerWaalsContact O-N 3.15Å; L34-F44 VanDerWaalsContact C-CE1 3.44Å; L34-F44 HydrophobicContact CB-CZ 4.47Å; L34-F44 HydrophobicContact CD2-CD2 4.07Å; L34-F44 HydrophobicContact CD2-CE2 3.76Å; L34-F44 HydrophobicContact CD2-CZ 4.2Å; L34-F44 WeakPolarHBondContact O-CE1 3.27Å; L34-F44 VanDerWaalsContact O-CZ 3.25Å; L34-F44 WeakPolarHBondContact O-CZ 3.1Å
35	Q	72.8	Confident	83.4	Confident	182 Å²	182	77.4 Å²	77.4	85%	0.85	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-111.9	8.2	172.4	-57.7	-177.8	14	0	0	113.2	S32 R33	S32-Q35 PolarHBondContact O-N 2.91Å; R33-Q35 PolarHBondContact O-N 2.97Å
36	S	78.6	Confident	84	Confident	17 Å²	17	75.9 Å²	75.9	12%	0.119	37%	0.371	C	S	.	.	S	Bend	trans	-83.2	172.6	-178.7	64.5	0	0	0	0	114.3	R33	R33-S36 VanDerWaalsContact CD-CB 3.46Å; R33-S36 WeakPolarHBondContact CD-OG 3.47Å; R33-S36 WeakPolarHBondContact CG-OG 3.42Å; R33-S36 PolarHBondContact NE-OG 3.44Å; R33-S36 VanDerWaalsContact O-CB 3.27Å; R33-S36 WeakPolarHBondContact O-CB 3.4Å; R33-S36 PolarHBondContact O-N 3.3Å; R33-S36 PolarHBondContact O-OG 3.44Å
37	D	86.9	Confident	84.8	Confident	116 Å²	116	74.1 Å²	74.1	62%	0.62	38%	0.375	S	S	*	.			trans	-53.4	144.6	172.5	-55.9	-43	0	0	0	111.6	L45	D37-L45 HydrophobicContact CB-CD1 4.17Å; D37-L45 PolarHBondContact O-N 2.95Å
38	K	92	Very high	85.7	Confident	121 Å²	121	69.7 Å²	69.7	53%	0.526	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-114.9	149.4	176.9	-63.8	175.6	-177.3	174.6	0	109.7	A43 F44	K38-A43 CarbonylContact C-O 3.48Å; K38-A43 WeakPolarHBondContact CA-O 3.36Å; K38-F44 HydrophobicContact CD-CE1 4.29Å; K38-F44 HydrophobicContact CG-CD1 3.88Å; K38-F44 HydrophobicContact CG-CE1 4.07Å; K38-F44 HydrophobicContact CG-CG 4.43Å
39	D	91.6	Very high	86.5	Confident	30 Å²	30	72.9 Å²	72.9	16%	0.16	37%	0.369	C	S	.	.			trans	-73.5	177.2	165.9	63.8	21.3	0	0	0	111.9	N9 N41 G42 A43 L45	N9-D39 PolarHBondContact ND2-OD2 2.86Å; D39-N41 PolarHBondContact O-N 3.34Å; D39-N41 VanDerWaalsContact O-N 3.14Å; D39-N41 WeakPolarHBondContact OD1-CA 3.11Å; D39-N41 WeakPolarHBondContact OD1-CB 3.17Å; D39-N41 PolarHBondContact OD1-N 3.48Å; D39-G42 PolarHBondContact O-N 3.45Å; D39-G42 PolarHBondContact OD1-N 3.28Å; D39-G42 VanDerWaalsContact OD1-N 3.08Å; D39-A43 PolarHBondContact N-O 2.87Å; D39-A43 WeakPolarHBondContact OD1-CB 3.46Å; D39-A43 PolarHBondContact OD1-N 3.11Å; D39-L45 HydrophobicContact CB-CD2 3.86Å; D39-L45 HydrophobicContact CB-CG 4.48Å
40	E	92.3	Very high	87.4	Confident	188 Å²	188	70.2 Å²	70.2	88%	0.879	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.4	176.2	61	-174.3	-179.4	0	0	113.8	G42	E40-G42 VanDerWaalsContact C-N 3.35Å
41	N	91.7	Very high	88.2	Confident	129 Å²	129	74.2 Å²	74.2	69%	0.69	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	0.1	178.3	-59.9	-56	0	0	0	112.6	D39 A43	D39-N41 PolarHBondContact O-N 3.34Å; D39-N41 VanDerWaalsContact O-N 3.14Å; D39-N41 WeakPolarHBondContact OD1-CA 3.11Å; D39-N41 WeakPolarHBondContact OD1-CB 3.17Å; D39-N41 PolarHBondContact OD1-N 3.48Å; N41-A43 VanDerWaalsContact C-N 3.34Å
42	G	91.5	Very high	89.1	Confident	38 Å²	38	73.1 Å²	73.1	39%	0.392	37%	0.372	S	S	.	.	S	Bend	trans	78.9	12.8	-178.7	0	0	0	0	0	114.5	D39 E40	D39-G42 PolarHBondContact O-N 3.45Å; D39-G42 PolarHBondContact OD1-N 3.28Å; D39-G42 VanDerWaalsContact OD1-N 3.08Å; E40-G42 VanDerWaalsContact C-N 3.35Å
43	A	93.4	Very high	90	Very high	2 Å²	2	70 Å²	70	2%	0.017	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-83.8	137.1	175.3	0	0	0	0	0	110.9	S7 N9 K38 D39 N41 L45	S7-A43 VanDerWaalsContact CB-CB 3.5Å; S7-A43 CarbonylContact O-C 3.56Å; S7-A43 VanDerWaalsContact O-CA 3.27Å; S7-A43 WeakPolarHBondContact O-CA 3.2Å; N9-A43 HydrophobicContact CB-CB 4.09Å; K38-A43 CarbonylContact C-O 3.48Å; K38-A43 WeakPolarHBondContact CA-O 3.36Å; D39-A43 PolarHBondContact N-O 2.87Å; D39-A43 WeakPolarHBondContact OD1-CB 3.46Å; D39-A43 PolarHBondContact OD1-N 3.11Å; N41-A43 VanDerWaalsContact C-N 3.34Å; A43-L45 PolarHBondContact O-N 3.28Å
44	F	93.1	Very high	91	Very high	20 Å²	20	68.3 Å²	68.3	9%	0.088	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.9	179.5	-67.1	-80.6	0	0	0	111.2	V6 S7 L8 N9 L34 K38	V6-F44 HydrophobicContact CG1-CD2 3.49Å; V6-F44 VanDerWaalsContact CG1-CD2 3.49Å; V6-F44 HydrophobicContact CG1-CE2 3.56Å; S7-F44 PolarHBondContact O-N 2.81Å; L8-F44 CarbonylContact C-O 3.53Å; L8-F44 WeakPolarHBondContact CA-O 3.42Å; L8-F44 HydrophobicContact CD2-CB 3.95Å; L8-F44 HydrophobicContact CD2-CD2 4.19Å; N9-F44 PolarHBondContact N-O 3.13Å; L34-F44 VanDerWaalsContact C-CE1 3.44Å; L34-F44 HydrophobicContact CB-CZ 4.47Å; L34-F44 HydrophobicContact CD2-CD2 4.07Å; L34-F44 HydrophobicContact CD2-CE2 3.76Å; L34-F44 HydrophobicContact CD2-CZ 4.2Å; L34-F44 WeakPolarHBondContact O-CE1 3.27Å; L34-F44 VanDerWaalsContact O-CZ 3.25Å; L34-F44 WeakPolarHBondContact O-CZ 3.1Å; K38-F44 HydrophobicContact CD-CE1 4.29Å; K38-F44 HydrophobicContact CG-CD1 3.88Å; K38-F44 HydrophobicContact CG-CE1 4.07Å; K38-F44 HydrophobicContact CG-CG 4.43Å
45	L	92.8	Very high	92.1	Very high	62 Å²	62	66.7 Å²	66.7	33%	0.325	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	126.1	-176.6	-65.5	175.6	0	0	0	111.5	N9 R33 D37 D39 A43	N9-L45 HydrophobicContact CB-CD2 3.95Å; R33-L45 PolarHBondContact NE-O 2.92Å; R33-L45 PolarHBondContact NH2-O 2.77Å; D37-L45 HydrophobicContact CB-CD1 4.17Å; D37-L45 PolarHBondContact O-N 2.95Å; D39-L45 HydrophobicContact CB-CD2 3.86Å; D39-L45 HydrophobicContact CB-CG 4.48Å; A43-L45 PolarHBondContact O-N 3.28Å
46	I	93.4	Very high	93.2	Very high	6 Å²	6	58 Å²	58	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	112.3	176.3	-56.8	-178	0	0	0	107.9	L8 N9 V10 G11 L30 R33 R48 Y83	L8-I46 HydrophobicContact CB-CD1 4.29Å; L8-I46 HydrophobicContact CD1-CD1 4.28Å; L8-I46 HydrophobicContact CD2-CD1 4.31Å; N9-I46 PolarHBondContact O-N 3.42Å; V10-I46 CarbonylContact C-O 3.55Å; V10-I46 WeakPolarHBondContact CA-O 3.47Å; V10-I46 HydrophobicContact CB-CB 4.45Å; V10-I46 HydrophobicContact CG1-CB 4.44Å; V10-I46 HydrophobicContact CG1-CG2 4.24Å; V10-I46 HydrophobicContact CG2-CB 4.08Å; V10-I46 HydrophobicContact CG2-CD1 4.08Å; V10-I46 HydrophobicContact CG2-CG1 4.49Å; V10-I46 HydrophobicContact CG2-CG2 4.48Å; G11-I46 PolarHBondContact N-O 3.43Å; L30-I46 HydrophobicContact CD2-CD1 3.77Å; R33-I46 HydrophobicContact CG-CG1 4.14Å; I46-R48 HydrophobicContact CG2-CB 3.94Å; I46-R48 HydrophobicContact CG2-CG 3.78Å; I46-R48 PolarHBondContact O-N 3.38Å; I46-Y83 HydrophobicContact CG2-CE1 4.23Å
47	D	93.4	Very high	94	Very high	153 Å²	153	57.2 Å²	57.2	82%	0.818	30%	0.298	S	S	*	.			trans	-83.2	68.9	178.5	-173.3	24.7	0	0	0	110.8
48	R	95.3	Very high	94.5	Very high	64 Å²	64	54 Å²	54	24%	0.242	28%	0.281	C	S	.	.	S	Bend	trans	-142.1	168.1	179.4	-63.3	-60.6	-66.2	-173.8	-3.3	110.6	V10 G11 I46 P50 E79 F82 Y83	V10-R48 HydrophobicContact CG1-CB 4.21Å; V10-R48 WeakPolarHBondContact CG1-O 3.48Å; G11-R48 VanDerWaalsContact CA-O 3.31Å; G11-R48 WeakPolarHBondContact CA-O 3.39Å; G11-R48 PolarHBondContact N-O 3.48Å; I46-R48 HydrophobicContact CG2-CB 3.94Å; I46-R48 HydrophobicContact CG2-CG 3.78Å; I46-R48 PolarHBondContact O-N 3.38Å; R48-P50 WeakPolarHBondContact O-CD 3.39Å; R48-E79 WeakPolarHBondContact CB-OE2 3.4Å; R48-E79 IonicContact CZ-OE1 3.58Å; R48-E79 VanDerWaalsContact CZ-OE1 3.26Å; R48-E79 IonicContact NE-OE1 2.72Å; R48-E79 PolarHBondContact NE-OE1 2.82Å; R48-E79 IonicContact NE-OE2 3.78Å; R48-E79 PolarHBondContact NE-OE2 3.07Å; R48-E79 IonicContact NH2-OE1 2.85Å; R48-E79 PolarHBondContact NH2-OE1 3.48Å; R48-F82 HydrophobicContact CG-CD1 3.95Å; R48-F82 HydrophobicContact CG-CE1 3.56Å; R48-F82 HydrophobicContact CG-CZ 3.96Å; R48-Y83 VanDerWaalsContact CB-OH 3.32Å; R48-Y83 WeakPolarHBondContact CB-OH 3.37Å; R48-Y83 WeakPolarHBondContact CG-OH 3.43Å
49	N	95	Very high	94.7	Very high	68 Å²	68	50.5 Å²	50.5	36%	0.364	26%	0.264	S	S	.	.			trans	-77.5	118.6	-178.4	-174.2	-24.8	0	0	0	111	Q51 Y52	N49-Q51 VanDerWaalsContact C-N 3.27Å; N49-Q51 PolarHBondContact O-N 3.44Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.41Å; N49-Q51 PolarHBondContact OD1-N 2.87Å; N49-Y52 HydrophobicContact CB-CD2 4.06Å; N49-Y52 PolarHBondContact O-N 3.24Å
50	P	96.7	Very high	94.8	Very high	23 Å²	23	49.3 Å²	49.3	15%	0.149	26%	0.258	C	S	.	.	H	α-helix	trans	-68.6	-22.5	-177.7	27.4	-35.1	0	0	0	114.5	V10 Q13 F15 R48 Y52 F53	V10-P50 HydrophobicContact CB-CB 4.22Å; V10-P50 HydrophobicContact CG1-CB 4.18Å; V10-P50 VanDerWaalsContact O-CB 3.3Å; V10-P50 WeakPolarHBondContact O-CB 3.19Å; V10-P50 WeakPolarHBondContact O-CG 3.29Å; Q13-P50 HydrophobicContact CB-CB 3.58Å; Q13-P50 HydrophobicContact CB-CG 3.85Å; Q13-P50 HydrophobicContact CG-CB 4.3Å; Q13-P50 VanDerWaalsContact OE1-CB 3.32Å; F15-P50 HydrophobicContact CE2-CB 3.75Å; F15-P50 HydrophobicContact CZ-CB 4.01Å; R48-P50 WeakPolarHBondContact O-CD 3.39Å; P50-Y52 VanDerWaalsContact C-N 3.26Å; P50-Y52 PolarHBondContact O-N 3.38Å; P50-F53 PolarHBondContact O-N 2.96Å; P50-F53 VanDerWaalsContact O-N 3.17Å
51	Q	96.3	Very high	94.9	Very high	87 Å²	87	45.1 Å²	45.1	41%	0.407	23%	0.234	S	C	.	.	H	α-helix	trans	-60	-37.8	180	-174.3	178.4	-3.2	0	0	112	N49 V71	N49-Q51 VanDerWaalsContact C-N 3.27Å; N49-Q51 PolarHBondContact O-N 3.44Å; N49-Q51 WeakPolarHBondContact OD1-CB 3.41Å; N49-Q51 PolarHBondContact OD1-N 2.87Å; Q51-V71 HydrophobicContact CG-CG2 4.32Å
52	Y	97.4	Very high	95	Very high	49 Å²	49	42.9 Å²	42.9	19%	0.192	22%	0.22	C	C	.	.	H	α-helix	trans	-92	-10.8	-179.6	-58.4	-64.2	0	0	0	113	N49 P50 P55 V71 G75 V76 E79	N49-Y52 HydrophobicContact CB-CD2 4.06Å; N49-Y52 PolarHBondContact O-N 3.24Å; P50-Y52 VanDerWaalsContact C-N 3.26Å; P50-Y52 PolarHBondContact O-N 3.38Å; Y52-P55 WeakPolarHBondContact O-CD 3.39Å; Y52-V71 HydrophobicContact CD1-CG1 3.55Å; Y52-V71 HydrophobicContact CE1-CG1 3.84Å; Y52-G75 VanDerWaalsContact CD1-C 3.47Å; Y52-V76 HydrophobicContact CD1-CG2 4.08Å; Y52-E79 VanDerWaalsContact CB-CG 3.42Å; Y52-E79 HydrophobicContact CG-CG 4.46Å
53	F	96.7	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-74.9	-33.3	-179.6	-174.6	-108.4	0	0	0	113.3	L8 V10 F15 L30 P50 V56 L57 Y83	L8-F53 HydrophobicContact CD1-CE1 4.08Å; L8-F53 HydrophobicContact CD1-CZ 3.71Å; V10-F53 HydrophobicContact CB-CD1 4.5Å; V10-F53 HydrophobicContact CG1-CB 4.08Å; V10-F53 HydrophobicContact CG1-CG 4.17Å; V10-F53 HydrophobicContact CG2-CD1 3.74Å; V10-F53 HydrophobicContact CG2-CD2 4.4Å; V10-F53 HydrophobicContact CG2-CE1 3.86Å; V10-F53 HydrophobicContact CG2-CG 4.02Å; V10-F53 HydrophobicContact CG2-CZ 4.26Å; F15-F53 HydrophobicContact CB-CE1 4.11Å; F15-F53 AromaticContact CD1-CD1 3.91Å; F15-F53 HydrophobicContact CD1-CD1 3.91Å; F15-F53 HydrophobicContact CD1-CE1 4.22Å; F15-F53 AromaticContact CD2-CD1 3.72Å; F15-F53 HydrophobicContact CD2-CD1 3.72Å; F15-F53 HydrophobicContact CD2-CE1 4.07Å; F15-F53 AromaticContact CE1-CD1 3.99Å; F15-F53 HydrophobicContact CE1-CD1 3.99Å; F15-F53 AromaticContact CE2-CD1 3.82Å; F15-F53 HydrophobicContact CE2-CD1 3.82Å; F15-F53 AromaticContact CG-CD1 3.78Å; F15-F53 HydrophobicContact CG-CD1 3.78Å; F15-F53 AromaticContact CG-CE1 3.87Å; F15-F53 HydrophobicContact CG-CE1 3.87Å; F15-F53 HydrophobicContact CZ-CB 4.44Å; F15-F53 AromaticContact CZ-CD1 3.95Å; F15-F53 HydrophobicContact CZ-CD1 3.95Å; L30-F53 HydrophobicContact CD1-CE2 4.04Å; L30-F53 HydrophobicContact CD1-CZ 4.45Å; L30-F53 HydrophobicContact CD2-CE2 3.88Å; L30-F53 HydrophobicContact CD2-CZ 4.24Å; P50-F53 PolarHBondContact O-N 2.96Å; P50-F53 VanDerWaalsContact O-N 3.17Å; F53-V56 HydrophobicContact CD2-CB 4.48Å; F53-V56 WeakPolarHBondContact O-CA 3.23Å; F53-V56 WeakPolarHBondContact O-CB 3.46Å; F53-V56 PolarHBondContact O-N 2.85Å; F53-L57 HydrophobicContact CD1-CB 4.45Å; F53-L57 HydrophobicContact CE1-CB 4.08Å; F53-L57 HydrophobicContact CE1-CD2 4.12Å; F53-L57 HydrophobicContact CE1-CG 4.49Å; F53-L57 HydrophobicContact CZ-CB 4.41Å; F53-L57 PolarHBondContact O-N 3.4Å; F53-Y83 AromaticContact CD2-CE2 3.67Å; F53-Y83 HydrophobicContact CD2-CE2 3.67Å; F53-Y83 AromaticContact CD2-CZ 3.7Å; F53-Y83 HydrophobicContact CE2-CE1 4.38Å; F53-Y83 HydrophobicContact CE2-CE2 4.05Å; F53-Y83 AromaticContact CE2-CZ 3.9Å
54	A	95.9	Very high	95.3	Very high	37 Å²	37	49.6 Å²	49.6	31%	0.306	25%	0.25	S	C	.	.	H	α-helix	trans	-57.4	-48.1	-177.3	0	0	0	0	0	113.1	F15 V56 L57 D58	F15-A54 HydrophobicContact CE1-CB 4.16Å; A54-V56 VanDerWaalsContact C-N 3.29Å; A54-V56 PolarHBondContact O-N 3.32Å; A54-L57 PolarHBondContact O-N 3.06Å; A54-D58 PolarHBondContact O-N 3.39Å
55	P	96.9	Very high	95.4	Very high	8 Å²	8	50 Å²	50	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-35.9	172.5	-28.1	36.9	0	0	0	114.3	Y52 Y59 I66 I67 V71 V76	Y52-P55 WeakPolarHBondContact O-CD 3.39Å; P55-Y59 WeakPolarHBondContact O-CB 3.07Å; P55-Y59 PolarHBondContact O-N 2.9Å; P55-I66 WeakPolarHBondContact CB-O 3.4Å; P55-I67 HydrophobicContact CB-CG1 4.25Å; P55-I67 HydrophobicContact CG-CG1 4.41Å; P55-V71 HydrophobicContact CG-CG1 4.47Å; P55-V76 HydrophobicContact CB-CG1 3.9Å; P55-V76 HydrophobicContact CB-CG2 4.06Å; P55-V76 HydrophobicContact CG-CG2 3.87Å
56	V	96.3	Very high	95.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.6	-46.8	176.6	176.7	0	0	0	0	110.5	L30 F53 A54 D58 Y59 L60 E79 Y83 L85 L88	L30-V56 HydrophobicContact CD1-CG1 4.38Å; F53-V56 HydrophobicContact CD2-CB 4.48Å; F53-V56 WeakPolarHBondContact O-CA 3.23Å; F53-V56 WeakPolarHBondContact O-CB 3.46Å; F53-V56 PolarHBondContact O-N 2.85Å; A54-V56 VanDerWaalsContact C-N 3.29Å; A54-V56 PolarHBondContact O-N 3.32Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 3.37Å; V56-Y59 WeakPolarHBondContact O-CB 3.35Å; V56-Y59 PolarHBondContact O-N 3.35Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.32Å; V56-E79 HydrophobicContact CG2-CB 3.91Å; V56-Y83 HydrophobicContact CG1-CD2 3.8Å; V56-Y83 HydrophobicContact CG1-CE2 4.39Å; V56-Y83 HydrophobicContact CG2-CD2 4.27Å; V56-Y83 HydrophobicContact CG2-CE2 4.49Å; V56-L85 HydrophobicContact CG1-CD1 3.48Å; V56-L85 VanDerWaalsContact CG1-CD1 3.48Å; V56-L88 HydrophobicContact CB-CD2 4.24Å; V56-L88 HydrophobicContact CG1-CD2 4.23Å; V56-L88 HydrophobicContact CG2-CD2 3.91Å
57	L	96	Very high	95.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-40.2	179.5	-175.3	59.6	0	0	0	111.8	F15 T17 T21 F53 A54 L60 R61	F15-L57 HydrophobicContact CB-CD2 4.12Å; F15-L57 HydrophobicContact CD1-CD2 4.01Å; F15-L57 HydrophobicContact CG-CD2 4.44Å; T17-L57 HydrophobicContact CG2-CD1 4.18Å; T21-L57 HydrophobicContact CG2-CD1 4.23Å; F53-L57 HydrophobicContact CD1-CB 4.45Å; F53-L57 HydrophobicContact CE1-CB 4.08Å; F53-L57 HydrophobicContact CE1-CD2 4.12Å; F53-L57 HydrophobicContact CE1-CG 4.49Å; F53-L57 HydrophobicContact CZ-CB 4.41Å; F53-L57 PolarHBondContact O-N 3.4Å; A54-L57 PolarHBondContact O-N 3.06Å; L57-L60 CarbonylContact O-C 3.55Å; L57-L60 WeakPolarHBondContact O-CB 3.25Å; L57-L60 PolarHBondContact O-N 2.82Å; L57-L60 VanDerWaalsContact O-N 3.16Å; L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 3.46Å
58	D	96	Very high	95.7	Very high	47 Å²	47	49.6 Å²	49.6	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-67.5	-39	176.7	-80	-11.5	0	0	0	112.1	A54 V56 L60 R61 H62	A54-D58 PolarHBondContact O-N 3.39Å; V56-D58 VanDerWaalsContact C-N 3.34Å; V56-D58 PolarHBondContact O-N 3.37Å; D58-L60 VanDerWaalsContact C-N 3.26Å; D58-L60 PolarHBondContact O-N 2.99Å; D58-R61 WeakPolarHBondContact O-CA 3.48Å; D58-R61 WeakPolarHBondContact O-CB 3.27Å; D58-R61 PolarHBondContact O-N 2.76Å; D58-R61 IonicContact OD1-CZ 3.85Å; D58-R61 IonicContact OD1-NH1 2.67Å; D58-R61 PolarHBondContact OD1-NH1 2.82Å; D58-H62 PolarHBondContact O-CD2 3.15Å; D58-H62 PolarHBondContact O-CE1 3.46Å; D58-H62 PolarHBondContact O-N 3.27Å; D58-H62 PolarHBondContact O-ND1 3.27Å; D58-H62 PolarHBondContact O-NE2 2.9Å
59	Y	96.4	Very high	95.5	Very high	48 Å²	48	57.1 Å²	57.1	19%	0.188	28%	0.284	C	S	.	.	H	α-helix	trans	-55.4	-43.7	168.2	174.1	-100.4	0	0	0	111.4	P55 V56 R61 G63 L85 G87 L88 L91	P55-Y59 WeakPolarHBondContact O-CB 3.07Å; P55-Y59 PolarHBondContact O-N 2.9Å; V56-Y59 WeakPolarHBondContact O-CB 3.35Å; V56-Y59 PolarHBondContact O-N 3.35Å; Y59-R61 VanDerWaalsContact C-N 3.26Å; Y59-R61 PolarHBondContact O-N 2.93Å; Y59-G63 WeakPolarHBondContact O-CA 3.47Å; Y59-G63 PolarHBondContact O-N 3.19Å; Y59-L85 HydrophobicContact CD1-CD1 4.48Å; Y59-G87 WeakPolarHBondContact OH-CA 3.35Å; Y59-L88 HydrophobicContact CD1-CB 3.85Å; Y59-L88 HydrophobicContact CD1-CD1 4.27Å; Y59-L88 HydrophobicContact CD1-CD2 4.04Å; Y59-L88 HydrophobicContact CD1-CG 4.29Å; Y59-L88 HydrophobicContact CD2-CB 4.39Å; Y59-L88 HydrophobicContact CD2-CD1 3.78Å; Y59-L88 HydrophobicContact CE1-CB 3.79Å; Y59-L88 HydrophobicContact CE2-CB 4.33Å; Y59-L88 HydrophobicContact CE2-CD1 4.37Å; Y59-L88 HydrophobicContact CG-CB 4.15Å; Y59-L88 HydrophobicContact CG-CD1 3.71Å; Y59-L88 HydrophobicContact CG-CD2 4.13Å; Y59-L88 HydrophobicContact CG-CG 4.22Å; Y59-L91 HydrophobicContact CD2-CD1 4.19Å; Y59-L91 HydrophobicContact CE2-CD1 3.76Å
60	L	94	Very high	95.4	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-20.8	173.9	-64.6	177.5	0	0	0	113.6	T21 L22 R24 L30 V56 L57 D58 L85	T21-L60 HydrophobicContact CG2-CB 3.76Å; L22-L60 HydrophobicContact CD2-CD1 4.41Å; R24-L60 WeakPolarHBondContact CD-O 3.48Å; R24-L60 PolarHBondContact NE-O 3.01Å; R24-L60 PolarHBondContact NH1-O 3.03Å; L30-L60 HydrophobicContact CD1-CD1 3.59Å; V56-L60 WeakPolarHBondContact O-CG 3.31Å; V56-L60 PolarHBondContact O-N 3.32Å; L57-L60 CarbonylContact O-C 3.55Å; L57-L60 WeakPolarHBondContact O-CB 3.25Å; L57-L60 PolarHBondContact O-N 2.82Å; L57-L60 VanDerWaalsContact O-N 3.16Å; D58-L60 VanDerWaalsContact C-N 3.26Å; D58-L60 PolarHBondContact O-N 2.99Å; L60-L85 HydrophobicContact CD2-CD1 4.38Å; L60-L85 HydrophobicContact CD2-CD2 4.07Å
61	R	95.4	Very high	95.3	Very high	101 Å²	101	59.1 Å²	59.1	38%	0.381	29%	0.294	S	S	.	.	H	α-helix	trans	-84.6	-35.6	177.9	-73.7	170.5	176.8	157.9	-5.7	113.6	V16 T21 R24 L57 D58 Y59	V16-R61 PolarHBondContact O-NH2 3.02Å; T21-R61 HydrophobicContact CG2-CG 3.78Å; R24-R61 PolarHBondContact NH1-O 3.32Å; R24-R61 PolarHBondContact NH2-O 3.28Å; L57-R61 WeakPolarHBondContact O-CG 3.37Å; L57-R61 PolarHBondContact O-N 3.46Å; D58-R61 WeakPolarHBondContact O-CA 3.48Å; D58-R61 WeakPolarHBondContact O-CB 3.27Å; D58-R61 PolarHBondContact O-N 2.76Å; D58-R61 IonicContact OD1-CZ 3.85Å; D58-R61 IonicContact OD1-NH1 2.67Å; D58-R61 PolarHBondContact OD1-NH1 2.82Å; Y59-R61 VanDerWaalsContact C-N 3.26Å; Y59-R61 PolarHBondContact O-N 2.93Å
62	H	94.1	Very high	95.3	Very high	82 Å²	82	57 Å²	57	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-140	0.7	-174.1	51.5	61.4	0	0	0	115.1	D58 K64	D58-H62 PolarHBondContact O-CD2 3.15Å; D58-H62 PolarHBondContact O-CE1 3.46Å; D58-H62 PolarHBondContact O-N 3.27Å; D58-H62 PolarHBondContact O-ND1 3.27Å; D58-H62 PolarHBondContact O-NE2 2.9Å; H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact CE1-O 2.93Å; H62-K64 VanDerWaalsContact CE1-O 3.3Å; H62-K64 WeakPolarHBondContact ND1-CB 3.28Å; H62-K64 PolarHBondContact ND1-N 2.95Å; H62-K64 PolarHBondContact O-N 2.95Å
63	G	93.9	Very high	95.2	Very high	42 Å²	42	55.7 Å²	55.7	43%	0.433	28%	0.284	S	S	.	.	S	Bend	trans	73.9	17.9	174.6	0	0	0	0	0	114.6	Y59	Y59-G63 WeakPolarHBondContact O-CA 3.47Å; Y59-G63 PolarHBondContact O-N 3.19Å
64	K	96	Very high	95.2	Very high	139 Å²	139	59.2 Å²	59.2	60%	0.604	30%	0.301	S	S	*	.			trans	-119.8	142.2	-178.7	-56.7	-178.9	179.8	179.3	0	109.8	H62 I66	H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact CE1-O 2.93Å; H62-K64 VanDerWaalsContact CE1-O 3.3Å; H62-K64 WeakPolarHBondContact ND1-CB 3.28Å; H62-K64 PolarHBondContact ND1-N 2.95Å; H62-K64 PolarHBondContact O-N 2.95Å; K64-I66 PolarHBondContact O-N 2.79Å
65	L	96.4	Very high	95.3	Very high	28 Å²	28	58 Å²	58	15%	0.147	29%	0.292	C	S	.	.			trans	-86.6	107.2	173.7	179	68	0	0	0	110.2	I67 V76 L88 L91 R95	L65-I67 HydrophobicContact CD1-CD1 3.77Å; L65-I67 HydrophobicContact CD1-CG1 3.76Å; L65-I67 HydrophobicContact CD2-CD1 4.08Å; L65-I67 HydrophobicContact CG-CD1 4.01Å; L65-I67 HydrophobicContact CG-CG1 4.06Å; L65-V76 HydrophobicContact CD1-CG1 4.2Å; L65-L88 HydrophobicContact CB-CD1 4.38Å; L65-L88 HydrophobicContact CD1-CD1 3.49Å; L65-L88 VanDerWaalsContact CD1-CD1 3.49Å; L65-L88 HydrophobicContact CG-CD1 4.44Å; L65-L91 HydrophobicContact CB-CB 4.16Å; L65-L91 HydrophobicContact CB-CD1 4.13Å; L65-L91 HydrophobicContact CD2-CB 3.96Å; L65-R95 HydrophobicContact CD2-CB 4.48Å
66	I	95.6	Very high	95.3	Very high	89 Å²	89	57.7 Å²	57.7	46%	0.456	29%	0.29	S	S	.	.			trans	-118.9	123.2	174.3	-59.8	172.6	0	0	0	107.1	P55 K64	P55-I66 WeakPolarHBondContact CB-O 3.4Å; K64-I66 PolarHBondContact O-N 2.79Å
67	I	95	Very high	95.4	Very high	16 Å²	16	59 Å²	59	8%	0.082	30%	0.297	C	S	.	.			trans	-131.5	126.8	-177.7	-57.2	174.6	0	0	0	106.8	P55 L65 V71 E73 V76	P55-I67 HydrophobicContact CB-CG1 4.25Å; P55-I67 HydrophobicContact CG-CG1 4.41Å; L65-I67 HydrophobicContact CD1-CD1 3.77Å; L65-I67 HydrophobicContact CD1-CG1 3.76Å; L65-I67 HydrophobicContact CD2-CD1 4.08Å; L65-I67 HydrophobicContact CG-CD1 4.01Å; L65-I67 HydrophobicContact CG-CG1 4.06Å; I67-V71 HydrophobicContact CG2-CB 3.7Å; I67-V71 HydrophobicContact CG2-CG1 3.9Å; I67-V71 VanDerWaalsContact CG2-O 3.27Å; I67-V71 WeakPolarHBondContact CG2-O 3.28Å; I67-E73 HydrophobicContact CD1-CB 4.34Å; I67-E73 HydrophobicContact CD1-CG 3.83Å; I67-V76 HydrophobicContact CD1-CB 4.18Å; I67-V76 HydrophobicContact CD1-CG1 4.31Å; I67-V76 HydrophobicContact CD1-CG2 4.06Å; I67-V76 HydrophobicContact CG1-CG2 4.25Å; I67-V76 HydrophobicContact CG2-CG2 4.39Å
68	N	94	Very high	95.5	Very high	108 Å²	108	64.1 Å²	64.1	58%	0.578	32%	0.321	S	S	*	.			trans	-68.4	157.7	174.8	-64.7	-22.7	0	0	0	110.8	D70 V71	N68-D70 WeakPolarHBondContact CB-OD1 3.26Å; N68-D70 PolarHBondContact O-N 2.8Å; N68-D70 VanDerWaalsContact O-N 3.15Å; N68-V71 HydrophobicContact CB-CG2 4.35Å; N68-V71 PolarHBondContact O-N 2.99Å; N68-V71 VanDerWaalsContact O-N 3.1Å
69	K	91.5	Very high	95.5	Very high	221 Å²	221	62.2 Å²	62.2	96%	0.961	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-25.5	-173.2	-66	-178.5	-179.7	177.8	0	113.8
70	D	93.7	Very high	95.5	Very high	117 Å²	117	59.9 Å²	59.9	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.3	-179.3	58	-58.3	0	0	0	113.7	N68	N68-D70 WeakPolarHBondContact CB-OD1 3.26Å; N68-D70 PolarHBondContact O-N 2.8Å; N68-D70 VanDerWaalsContact O-N 3.15Å
71	V	94.8	Very high	95.6	Very high	16 Å²	16	63.5 Å²	63.5	10%	0.097	32%	0.318	C	S	.	.	S	Bend	trans	-104.3	122.2	-179.8	-179	0	0	0	0	109.5	Q51 Y52 P55 I67 N68 V76	Q51-V71 HydrophobicContact CG-CG2 4.32Å; Y52-V71 HydrophobicContact CD1-CG1 3.55Å; Y52-V71 HydrophobicContact CE1-CG1 3.84Å; P55-V71 HydrophobicContact CG-CG1 4.47Å; I67-V71 HydrophobicContact CG2-CB 3.7Å; I67-V71 HydrophobicContact CG2-CG1 3.9Å; I67-V71 VanDerWaalsContact CG2-O 3.27Å; I67-V71 WeakPolarHBondContact CG2-O 3.28Å; N68-V71 HydrophobicContact CB-CG2 4.35Å; N68-V71 PolarHBondContact O-N 2.99Å; N68-V71 VanDerWaalsContact O-N 3.1Å; V71-V76 HydrophobicContact CG1-CG2 3.72Å
72	S	95.3	Very high	95.6	Very high	43 Å²	43	62.2 Å²	62.2	30%	0.301	32%	0.315	S	S	.	.			trans	-65.4	134	175.9	156.8	0	0	0	0	111.4	E74 G75 V76	S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 PolarHBondContact O-N 3.1Å; S72-E74 WeakPolarHBondContact OG-CB 3.32Å; S72-E74 PolarHBondContact OG-N 3.22Å; S72-E74 PolarHBondContact OG-OE2 2.61Å; S72-G75 PolarHBondContact O-N 2.66Å; S72-G75 PolarHBondContact OG-N 3.23Å; S72-V76 PolarHBondContact O-N 3.26Å
73	E	95.7	Very high	95.5	Very high	21 Å²	21	58.3 Å²	58.3	10%	0.098	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-32.3	176.3	-66.5	168	159.3	0	0	111.6	I67 V76 L77 R95 I96 R99	I67-E73 HydrophobicContact CD1-CB 4.34Å; I67-E73 HydrophobicContact CD1-CG 3.83Å; E73-V76 PolarHBondContact O-N 2.82Å; E73-L77 WeakPolarHBondContact O-CB 3.32Å; E73-L77 PolarHBondContact O-N 2.9Å; E73-R95 VanDerWaalsContact OE1-CD 3.26Å; E73-R95 WeakPolarHBondContact OE1-CD 3.22Å; E73-R95 VanDerWaalsContact OE1-CG 3.28Å; E73-R95 WeakPolarHBondContact OE1-CG 3.36Å; E73-R95 IonicContact OE1-CZ 2.79Å; E73-R95 IonicContact OE1-NE 3.63Å; E73-R95 PolarHBondContact OE1-NE 3.32Å; E73-R95 IonicContact OE1-NH2 2.71Å; E73-I96 HydrophobicContact CB-CD1 4.16Å; E73-I96 HydrophobicContact CB-CG1 3.67Å; E73-R99 WeakPolarHBondContact OE2-CD 3.39Å; E73-R99 IonicContact OE2-CZ 3.46Å; E73-R99 IonicContact OE2-NE 3.6Å; E73-R99 IonicContact OE2-NH1 2.97Å; E73-R99 PolarHBondContact OE2-NH1 2.93Å
74	E	96.9	Very high	95.5	Very high	75 Å²	75	60.3 Å²	60.3	35%	0.35	30%	0.298	S	S	.	.	H	α-helix	trans	-65.3	-42.2	175	-60.1	73.1	-164.5	0	0	111.3	S72 V76 L77 E78 I96 R99	S72-E74 VanDerWaalsContact C-N 3.27Å; S72-E74 PolarHBondContact O-N 3.1Å; S72-E74 WeakPolarHBondContact OG-CB 3.32Å; S72-E74 PolarHBondContact OG-N 3.22Å; S72-E74 PolarHBondContact OG-OE2 2.61Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 3.01Å; E74-L77 WeakPolarHBondContact O-CB 3.39Å; E74-L77 PolarHBondContact O-N 3.48Å; E74-E78 PolarHBondContact O-N 3.46Å; E74-I96 HydrophobicContact CG-CD1 4.36Å; E74-R99 IonicContact OE1-CZ 3.19Å; E74-R99 IonicContact OE1-NH1 2.61Å; E74-R99 PolarHBondContact OE1-NH1 3.25Å; E74-R99 IonicContact OE1-NH2 3.52Å; E74-R99 PolarHBondContact OE1-NH2 3Å; E74-R99 IonicContact OE2-NH1 3.8Å
75	G	97.6	Very high	95.4	Very high	12 Å²	12	53.9 Å²	53.9	12%	0.124	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-36.5	175.4	0	0	0	0	0	112.8	Y52 S72 E78 E79	Y52-G75 VanDerWaalsContact CD1-C 3.47Å; S72-G75 PolarHBondContact O-N 2.66Å; S72-G75 PolarHBondContact OG-N 3.23Å; G75-E78 PolarHBondContact O-N 2.97Å; G75-E79 PolarHBondContact O-N 2.85Å
76	V	97.8	Very high	95.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.2	-35.4	173	-178.8	0	0	0	0	111.5	Y52 P55 L65 I67 V71 S72 E73 E74 E79 A80	Y52-V76 HydrophobicContact CD1-CG2 4.08Å; P55-V76 HydrophobicContact CB-CG1 3.9Å; P55-V76 HydrophobicContact CB-CG2 4.06Å; P55-V76 HydrophobicContact CG-CG2 3.87Å; L65-V76 HydrophobicContact CD1-CG1 4.2Å; I67-V76 HydrophobicContact CD1-CB 4.18Å; I67-V76 HydrophobicContact CD1-CG1 4.31Å; I67-V76 HydrophobicContact CD1-CG2 4.06Å; I67-V76 HydrophobicContact CG1-CG2 4.25Å; I67-V76 HydrophobicContact CG2-CG2 4.39Å; V71-V76 HydrophobicContact CG1-CG2 3.72Å; S72-V76 PolarHBondContact O-N 3.26Å; E73-V76 PolarHBondContact O-N 2.82Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 3.01Å; V76-E79 PolarHBondContact O-N 3Å; V76-A80 WeakPolarHBondContact O-CB 3.46Å; V76-A80 PolarHBondContact O-N 3.19Å
77	L	98	Very high	95.2	Very high	29 Å²	29	53.8 Å²	53.8	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-47.3	174	174.6	61.3	0	0	0	111.1	E73 E74 E79 A80 E81 V89 C92 R93 I96	E73-L77 WeakPolarHBondContact O-CB 3.32Å; E73-L77 PolarHBondContact O-N 2.9Å; E74-L77 WeakPolarHBondContact O-CB 3.39Å; E74-L77 PolarHBondContact O-N 3.48Å; L77-E79 VanDerWaalsContact C-N 3.34Å; L77-E79 PolarHBondContact O-N 2.75Å; L77-A80 WeakPolarHBondContact O-CB 3.47Å; L77-A80 PolarHBondContact O-N 3.27Å; L77-A80 VanDerWaalsContact O-N 3.11Å; L77-E81 HydrophobicContact CD1-CG 4.25Å; L77-E81 WeakPolarHBondContact O-CG 3.47Å; L77-E81 PolarHBondContact O-N 3.49Å; L77-V89 HydrophobicContact CD1-CB 4.37Å; L77-V89 HydrophobicContact CD1-CG1 3.91Å; L77-C92 HydrophobicContact CB-CB 3.94Å; L77-C92 HydrophobicContact CD1-CB 3.92Å; L77-C92 HydrophobicContact CG-CB 4.48Å; L77-R93 HydrophobicContact CD1-CG 3.96Å; L77-R93 HydrophobicContact CD2-CG 4.13Å; L77-I96 HydrophobicContact CB-CD1 4.35Å; L77-I96 HydrophobicContact CD2-CD1 3.92Å
78	E	97.6	Very high	95.3	Very high	108 Å²	108	53 Å²	53	51%	0.505	28%	0.279	S	S	.	.	H	α-helix	trans	-57.3	-45.9	177.6	-173.6	65.5	-157.9	0	0	111.6	E74 G75 E81 F82	E74-E78 PolarHBondContact O-N 3.46Å; G75-E78 PolarHBondContact O-N 2.97Å; E78-E81 PolarHBondContact O-N 2.72Å; E78-F82 WeakPolarHBondContact O-CB 3.46Å; E78-F82 PolarHBondContact O-N 3.35Å
79	E	96.6	Very high	95.4	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.028	26%	0.255	C	S	.	.	H	α-helix	trans	-65.6	-39.5	175.3	-68.9	-53.4	112.3	0	0	112.3	R48 Y52 V56 G75 V76 L77 E81 F82 Y83	R48-E79 WeakPolarHBondContact CB-OE2 3.4Å; R48-E79 IonicContact CZ-OE1 3.58Å; R48-E79 VanDerWaalsContact CZ-OE1 3.26Å; R48-E79 IonicContact NE-OE1 2.72Å; R48-E79 PolarHBondContact NE-OE1 2.82Å; R48-E79 IonicContact NE-OE2 3.78Å; R48-E79 PolarHBondContact NE-OE2 3.07Å; R48-E79 IonicContact NH2-OE1 2.85Å; R48-E79 PolarHBondContact NH2-OE1 3.48Å; Y52-E79 VanDerWaalsContact CB-CG 3.42Å; Y52-E79 HydrophobicContact CG-CG 4.46Å; V56-E79 HydrophobicContact CG2-CB 3.91Å; G75-E79 PolarHBondContact O-N 2.85Å; V76-E79 PolarHBondContact O-N 3Å; L77-E79 VanDerWaalsContact C-N 3.34Å; L77-E79 PolarHBondContact O-N 2.75Å; E79-E81 VanDerWaalsContact C-N 3.29Å; E79-E81 PolarHBondContact O-N 2.91Å; E79-F82 PolarHBondContact O-N 3.47Å; E79-Y83 HydrophobicContact CB-CD2 4.19Å; E79-Y83 HydrophobicContact CB-CE2 3.9Å; E79-Y83 HydrophobicContact CG-CE2 4.4Å; E79-Y83 WeakPolarHBondContact O-CD2 3.31Å; E79-Y83 PolarHBondContact O-N 3.29Å; E79-Y83 WeakPolarHBondContact OE2-CE2 3.36Å; E79-Y83 PolarHBondContact OE2-OH 2.94Å
80	A	96.2	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.9	-36.5	178.1	0	0	0	0	0	112.4	V76 L77 N84 L85 L88 V89	V76-A80 WeakPolarHBondContact O-CB 3.46Å; V76-A80 PolarHBondContact O-N 3.19Å; L77-A80 WeakPolarHBondContact O-CB 3.47Å; L77-A80 PolarHBondContact O-N 3.27Å; L77-A80 VanDerWaalsContact O-N 3.11Å; A80-N84 PolarHBondContact O-N 3.17Å; A80-L85 PolarHBondContact O-N 2.91Å; A80-L88 HydrophobicContact CB-CB 4.02Å; A80-L88 HydrophobicContact CB-CD2 3.67Å; A80-L88 HydrophobicContact CB-CG 3.64Å; A80-V89 HydrophobicContact CB-CG2 3.77Å
81	E	95.7	Very high	95.8	Very high	81 Å²	81	42 Å²	42	38%	0.379	22%	0.224	S	C	.	.	H	α-helix	trans	-68.6	-47	173.2	-69.4	-177.8	171.3	0	0	110.7	L77 E78 E79 Y83 N84 V89 R93	L77-E81 HydrophobicContact CD1-CG 4.25Å; L77-E81 WeakPolarHBondContact O-CG 3.47Å; L77-E81 PolarHBondContact O-N 3.49Å; E78-E81 PolarHBondContact O-N 2.72Å; E79-E81 VanDerWaalsContact C-N 3.29Å; E79-E81 PolarHBondContact O-N 2.91Å; E81-Y83 PolarHBondContact O-N 3.17Å; E81-N84 PolarHBondContact O-N 3.08Å; E81-V89 HydrophobicContact CB-CG2 4.48Å; E81-V89 HydrophobicContact CG-CG1 4.25Å; E81-V89 HydrophobicContact CG-CG2 3.69Å; E81-R93 IonicContact OE1-CZ 3.26Å; E81-R93 IonicContact OE1-NE 3.42Å; E81-R93 IonicContact OE1-NH2 3.02Å; E81-R93 PolarHBondContact OE1-NH2 3.32Å
82	F	94.5	Very high	95.9	Very high	74 Å²	74	41.2 Å²	41.2	33%	0.325	22%	0.219	S	C	.	.	H	α-helix	trans	-56.9	-46	177	178.3	-95.5	0	0	0	112.7	F29 R48 E78 E79 N84	F29-F82 AromaticContact CD1-CE1 3.76Å; F29-F82 HydrophobicContact CD1-CE1 3.76Å; F29-F82 HydrophobicContact CD1-CZ 4.07Å; F29-F82 AromaticContact CE1-CE1 3.83Å; F29-F82 HydrophobicContact CE1-CE1 3.83Å; F29-F82 AromaticContact CE1-CZ 3.72Å; F29-F82 HydrophobicContact CE1-CZ 3.72Å; F29-F82 HydrophobicContact CZ-CZ 4.21Å; R48-F82 HydrophobicContact CG-CD1 3.95Å; R48-F82 HydrophobicContact CG-CE1 3.56Å; R48-F82 HydrophobicContact CG-CZ 3.96Å; E78-F82 WeakPolarHBondContact O-CB 3.46Å; E78-F82 PolarHBondContact O-N 3.35Å; E79-F82 PolarHBondContact O-N 3.47Å; F82-N84 PolarHBondContact O-N 2.91Å
83	Y	93.6	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	3	179.1	-60.2	-61	0	0	0	114	S28 F29 L30 I46 R48 F53 V56 E79 E81	S28-Y83 VanDerWaalsContact CA-O 3.3Å; S28-Y83 WeakPolarHBondContact CA-O 3.49Å; S28-Y83 VanDerWaalsContact CB-O 3.32Å; S28-Y83 WeakPolarHBondContact CB-O 3.18Å; F29-Y83 HydrophobicContact CB-CD1 4.49Å; F29-Y83 HydrophobicContact CD1-CD1 4.34Å; F29-Y83 PolarHBondContact N-O 3.46Å; L30-Y83 HydrophobicContact CD1-CD1 4.07Å; L30-Y83 HydrophobicContact CD1-CG 4.07Å; L30-Y83 HydrophobicContact CD2-CD1 3.57Å; L30-Y83 HydrophobicContact CD2-CE1 3.56Å; L30-Y83 HydrophobicContact CD2-CG 4.38Å; L30-Y83 HydrophobicContact CG-CD1 3.49Å; L30-Y83 VanDerWaalsContact CG-CD1 3.49Å; L30-Y83 HydrophobicContact CG-CE1 4.04Å; L30-Y83 HydrophobicContact CG-CG 3.96Å; I46-Y83 HydrophobicContact CG2-CE1 4.23Å; R48-Y83 VanDerWaalsContact CB-OH 3.32Å; R48-Y83 WeakPolarHBondContact CB-OH 3.37Å; R48-Y83 WeakPolarHBondContact CG-OH 3.43Å; F53-Y83 AromaticContact CD2-CE2 3.67Å; F53-Y83 HydrophobicContact CD2-CE2 3.67Å; F53-Y83 AromaticContact CD2-CZ 3.7Å; F53-Y83 HydrophobicContact CE2-CE1 4.38Å; F53-Y83 HydrophobicContact CE2-CE2 4.05Å; F53-Y83 AromaticContact CE2-CZ 3.9Å; V56-Y83 HydrophobicContact CG1-CD2 3.8Å; V56-Y83 HydrophobicContact CG1-CE2 4.39Å; V56-Y83 HydrophobicContact CG2-CD2 4.27Å; V56-Y83 HydrophobicContact CG2-CE2 4.49Å; E79-Y83 HydrophobicContact CB-CD2 4.19Å; E79-Y83 HydrophobicContact CB-CE2 3.9Å; E79-Y83 HydrophobicContact CG-CE2 4.4Å; E79-Y83 WeakPolarHBondContact O-CD2 3.31Å; E79-Y83 PolarHBondContact O-N 3.29Å; E79-Y83 WeakPolarHBondContact OE2-CE2 3.36Å; E79-Y83 PolarHBondContact OE2-OH 2.94Å; E81-Y83 PolarHBondContact O-N 3.17Å
84	N	93.4	Very high	95.8	Very high	84 Å²	84	48.4 Å²	48.4	45%	0.449	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	56.7	-177.9	-171.1	34.8	0	0	0	112.7	N25 E27 A80 E81 F82 P86	N25-N84 PolarHBondContact ND2-O 3.22Å; E27-N84 PolarHBondContact O-ND2 2.93Å; A80-N84 PolarHBondContact O-N 3.17Å; E81-N84 PolarHBondContact O-N 3.08Å; F82-N84 PolarHBondContact O-N 2.91Å; N84-P86 WeakPolarHBondContact O-CD 3.3Å
85	L	94.1	Very high	95.6	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.245	C	C	.	.			trans	-112.5	77.5	-179	-63.2	177.2	0	0	0	110.9	N25 V56 Y59 L60 A80 G87 L88 V89	N25-L85 HydrophobicContact CB-CD2 4.07Å; V56-L85 HydrophobicContact CG1-CD1 3.48Å; V56-L85 VanDerWaalsContact CG1-CD1 3.48Å; Y59-L85 HydrophobicContact CD1-CD1 4.48Å; L60-L85 HydrophobicContact CD2-CD1 4.38Å; L60-L85 HydrophobicContact CD2-CD2 4.07Å; A80-L85 PolarHBondContact O-N 2.91Å; L85-G87 VanDerWaalsContact C-N 3.26Å; L85-G87 PolarHBondContact O-N 3.48Å; L85-G87 VanDerWaalsContact O-N 3.15Å; L85-L88 HydrophobicContact CB-CB 3.87Å; L85-L88 HydrophobicContact CD1-CD2 4.03Å; L85-L88 WeakPolarHBondContact O-CA 3.39Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 PolarHBondContact O-N 3.39Å; L85-V89 WeakPolarHBondContact O-CG2 3.2Å; L85-V89 PolarHBondContact O-N 3.2Å
86	P	93.7	Very high	95.4	Very high	85 Å²	85	49.4 Å²	49.4	55%	0.552	24%	0.243	S	C	*	.	H	α-helix	trans	-59	-34.6	-171.6	21.9	-33.9	0	0	0	113.7	N84 L88 V89 K90	N84-P86 WeakPolarHBondContact O-CD 3.3Å; P86-L88 VanDerWaalsContact C-N 3.34Å; P86-V89 PolarHBondContact O-N 3.47Å; P86-K90 PolarHBondContact O-N 3.42Å
87	G	94.6	Very high	95	Very high	31 Å²	31	52.7 Å²	52.7	32%	0.32	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-37.4	175	0	0	0	0	0	113	Y59 L85 L91	Y59-G87 WeakPolarHBondContact OH-CA 3.35Å; L85-G87 VanDerWaalsContact C-N 3.26Å; L85-G87 PolarHBondContact O-N 3.48Å; L85-G87 VanDerWaalsContact O-N 3.15Å; G87-L91 WeakPolarHBondContact O-CG 3.45Å; G87-L91 PolarHBondContact O-N 3.28Å
88	L	95.9	Very high	94.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-73.7	-42.9	176	-175.6	57.1	0	0	0	111.3	V56 Y59 L65 A80 L85 P86 K90 L91 C92	V56-L88 HydrophobicContact CB-CD2 4.24Å; V56-L88 HydrophobicContact CG1-CD2 4.23Å; V56-L88 HydrophobicContact CG2-CD2 3.91Å; Y59-L88 HydrophobicContact CD1-CB 3.85Å; Y59-L88 HydrophobicContact CD1-CD1 4.27Å; Y59-L88 HydrophobicContact CD1-CD2 4.04Å; Y59-L88 HydrophobicContact CD1-CG 4.29Å; Y59-L88 HydrophobicContact CD2-CB 4.39Å; Y59-L88 HydrophobicContact CD2-CD1 3.78Å; Y59-L88 HydrophobicContact CE1-CB 3.79Å; Y59-L88 HydrophobicContact CE2-CB 4.33Å; Y59-L88 HydrophobicContact CE2-CD1 4.37Å; Y59-L88 HydrophobicContact CG-CB 4.15Å; Y59-L88 HydrophobicContact CG-CD1 3.71Å; Y59-L88 HydrophobicContact CG-CD2 4.13Å; Y59-L88 HydrophobicContact CG-CG 4.22Å; L65-L88 HydrophobicContact CB-CD1 4.38Å; L65-L88 HydrophobicContact CD1-CD1 3.49Å; L65-L88 VanDerWaalsContact CD1-CD1 3.49Å; L65-L88 HydrophobicContact CG-CD1 4.44Å; A80-L88 HydrophobicContact CB-CB 4.02Å; A80-L88 HydrophobicContact CB-CD2 3.67Å; A80-L88 HydrophobicContact CB-CG 3.64Å; L85-L88 HydrophobicContact CB-CB 3.87Å; L85-L88 HydrophobicContact CD1-CD2 4.03Å; L85-L88 WeakPolarHBondContact O-CA 3.39Å; L85-L88 WeakPolarHBondContact O-CB 3.45Å; L85-L88 PolarHBondContact O-N 3.39Å; P86-L88 VanDerWaalsContact C-N 3.34Å; L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 PolarHBondContact O-N 3.01Å; L88-L91 PolarHBondContact O-N 3.21Å; L88-L91 VanDerWaalsContact O-N 3.1Å; L88-C92 PolarHBondContact O-N 3.46Å; L88-C92 PolarHBondContact O-SG 3.21Å
89	V	96.7	Very high	93.9	Very high	12 Å²	12	53.1 Å²	53.1	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-53.1	-47.3	174.8	170.1	0	0	0	0	110.8	L77 A80 E81 L85 P86 C92 R93	L77-V89 HydrophobicContact CD1-CB 4.37Å; L77-V89 HydrophobicContact CD1-CG1 3.91Å; A80-V89 HydrophobicContact CB-CG2 3.77Å; E81-V89 HydrophobicContact CB-CG2 4.48Å; E81-V89 HydrophobicContact CG-CG1 4.25Å; E81-V89 HydrophobicContact CG-CG2 3.69Å; L85-V89 WeakPolarHBondContact O-CG2 3.2Å; L85-V89 PolarHBondContact O-N 3.2Å; P86-V89 PolarHBondContact O-N 3.47Å; V89-C92 PolarHBondContact O-N 2.98Å; V89-R93 VanDerWaalsContact CG1-NH2 3.34Å; V89-R93 WeakPolarHBondContact O-CG 3.46Å; V89-R93 PolarHBondContact O-N 3.33Å
90	K	96.6	Very high	93.3	Very high	136 Å²	136	57.7 Å²	57.7	59%	0.591	30%	0.295	S	S	*	.	H	α-helix	trans	-58.4	-49.7	175.8	-175.9	-179	178.2	-176.6	0	111.9	P86 L88 C92 R93 D94	P86-K90 PolarHBondContact O-N 3.42Å; L88-K90 VanDerWaalsContact C-N 3.28Å; L88-K90 PolarHBondContact O-N 3.01Å; K90-C92 VanDerWaalsContact C-N 3.32Å; K90-C92 PolarHBondContact O-N 2.94Å; K90-R93 PolarHBondContact O-N 3.5Å; K90-D94 WeakPolarHBondContact O-CB 3.45Å; K90-D94 VanDerWaalsContact O-CG 3.25Å; K90-D94 PolarHBondContact O-N 3.38Å
91	L	96.6	Very high	92.2	Very high	65 Å²	65	58.5 Å²	58.5	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-40.5	179.7	-69.8	171.7	0	0	0	112.4	Y59 L65 G87 L88 R95	Y59-L91 HydrophobicContact CD2-CD1 4.19Å; Y59-L91 HydrophobicContact CE2-CD1 3.76Å; L65-L91 HydrophobicContact CB-CB 4.16Å; L65-L91 HydrophobicContact CB-CD1 4.13Å; L65-L91 HydrophobicContact CD2-CB 3.96Å; G87-L91 WeakPolarHBondContact O-CG 3.45Å; G87-L91 PolarHBondContact O-N 3.28Å; L88-L91 PolarHBondContact O-N 3.21Å; L88-L91 VanDerWaalsContact O-N 3.1Å; L91-R95 VanDerWaalsContact O-CB 3.32Å; L91-R95 WeakPolarHBondContact O-CB 3.45Å; L91-R95 PolarHBondContact O-N 2.79Å; L91-R95 VanDerWaalsContact O-N 3.08Å
92	C	96.8	Very high	91.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-48.5	176.7	-69	0	0	0	0	111.3	L77 L88 V89 K90 D94 R95 I96	L77-C92 HydrophobicContact CB-CB 3.94Å; L77-C92 HydrophobicContact CD1-CB 3.92Å; L77-C92 HydrophobicContact CG-CB 4.48Å; L88-C92 PolarHBondContact O-N 3.46Å; L88-C92 PolarHBondContact O-SG 3.21Å; V89-C92 PolarHBondContact O-N 2.98Å; K90-C92 VanDerWaalsContact C-N 3.32Å; K90-C92 PolarHBondContact O-N 2.94Å; C92-D94 PolarHBondContact O-N 3.45Å; C92-R95 PolarHBondContact O-N 2.98Å; C92-I96 VanDerWaalsContact O-CG1 3.28Å; C92-I96 WeakPolarHBondContact O-CG1 3.28Å; C92-I96 PolarHBondContact O-N 3.3Å
93	R	95.5	Very high	90.5	Very high	125 Å²	125	60.3 Å²	60.3	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-62	-42.4	178.8	-69.6	-178.3	-171.8	146.6	0.7	112.7	L77 E81 V89 K90 R95 I96 S97	L77-R93 HydrophobicContact CD1-CG 3.96Å; L77-R93 HydrophobicContact CD2-CG 4.13Å; E81-R93 IonicContact OE1-CZ 3.26Å; E81-R93 IonicContact OE1-NE 3.42Å; E81-R93 IonicContact OE1-NH2 3.02Å; E81-R93 PolarHBondContact OE1-NH2 3.32Å; V89-R93 VanDerWaalsContact CG1-NH2 3.34Å; V89-R93 WeakPolarHBondContact O-CG 3.46Å; V89-R93 PolarHBondContact O-N 3.33Å; K90-R93 PolarHBondContact O-N 3.5Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 2.9Å; R93-I96 PolarHBondContact O-N 3.25Å; R93-S97 VanDerWaalsContact O-CB 3.32Å; R93-S97 WeakPolarHBondContact O-CB 3.49Å; R93-S97 PolarHBondContact O-N 3.33Å; R93-S97 PolarHBondContact O-OG 3.38Å
94	D	93.7	Very high	89.4	Confident	90 Å²	90	61.2 Å²	61.2	48%	0.481	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-42.1	176.5	-70.7	-14.4	0	0	0	110.9	K90 C92 S98	K90-D94 WeakPolarHBondContact O-CB 3.45Å; K90-D94 VanDerWaalsContact O-CG 3.25Å; K90-D94 PolarHBondContact O-N 3.38Å; C92-D94 PolarHBondContact O-N 3.45Å; D94-S98 WeakPolarHBondContact O-CB 3.33Å; D94-S98 PolarHBondContact O-N 3.42Å
95	R	93.1	Very high	88.2	Confident	91 Å²	91	60.7 Å²	60.7	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-68.6	-45.9	179.5	-168.8	175	171.4	164	-2.7	112.4	L65 E73 L91 C92 R93 S97 S98 R99	L65-R95 HydrophobicContact CD2-CB 4.48Å; E73-R95 VanDerWaalsContact OE1-CD 3.26Å; E73-R95 WeakPolarHBondContact OE1-CD 3.22Å; E73-R95 VanDerWaalsContact OE1-CG 3.28Å; E73-R95 WeakPolarHBondContact OE1-CG 3.36Å; E73-R95 IonicContact OE1-CZ 2.79Å; E73-R95 IonicContact OE1-NE 3.63Å; E73-R95 PolarHBondContact OE1-NE 3.32Å; E73-R95 IonicContact OE1-NH2 2.71Å; L91-R95 VanDerWaalsContact O-CB 3.32Å; L91-R95 WeakPolarHBondContact O-CB 3.45Å; L91-R95 PolarHBondContact O-N 2.79Å; L91-R95 VanDerWaalsContact O-N 3.08Å; C92-R95 PolarHBondContact O-N 2.98Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 2.9Å; R95-S97 PolarHBondContact O-N 3.25Å; R95-S98 PolarHBondContact O-N 3.13Å; R95-R99 WeakPolarHBondContact O-CB 3.32Å; R95-R99 PolarHBondContact O-N 2.71Å
96	I	92.6	Very high	87.2	Confident	17 Å²	17	63.3 Å²	63.3	9%	0.087	34%	0.339	C	S	.	.	H	α-helix	trans	-58.7	-48.5	175.4	-68.2	163.8	0	0	0	109.9	E73 E74 L77 C92 R93 S98 R99 E100	E73-I96 HydrophobicContact CB-CD1 4.16Å; E73-I96 HydrophobicContact CB-CG1 3.67Å; E74-I96 HydrophobicContact CG-CD1 4.36Å; L77-I96 HydrophobicContact CB-CD1 4.35Å; L77-I96 HydrophobicContact CD2-CD1 3.92Å; C92-I96 VanDerWaalsContact O-CG1 3.28Å; C92-I96 WeakPolarHBondContact O-CG1 3.28Å; C92-I96 PolarHBondContact O-N 3.3Å; R93-I96 PolarHBondContact O-N 3.25Å; I96-S98 VanDerWaalsContact C-N 3.32Å; I96-S98 PolarHBondContact O-N 3.08Å; I96-R99 WeakPolarHBondContact O-CB 3.4Å; I96-R99 PolarHBondContact O-N 2.84Å; I96-E100 HydrophobicContact CG2-CG 4.44Å; I96-E100 WeakPolarHBondContact O-CG 3.44Å; I96-E100 PolarHBondContact O-N 3.42Å
97	S	88.8	Confident	86.2	Confident	69 Å²	69	63.1 Å²	63.1	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-39.5	179.1	-56.7	0	0	0	0	112.3	R93 R95 G101	R93-S97 VanDerWaalsContact O-CB 3.32Å; R93-S97 WeakPolarHBondContact O-CB 3.49Å; R93-S97 PolarHBondContact O-N 3.33Å; R93-S97 PolarHBondContact O-OG 3.38Å; R95-S97 PolarHBondContact O-N 3.25Å; S97-G101 PolarHBondContact O-N 3.39Å
98	S	86.7	Confident	84.9	Confident	78 Å²	78	63 Å²	63	55%	0.545	33%	0.331	S	S	.	.	H	α-helix	trans	-66.9	-42	176.7	-176.3	0	0	0	0	112.2	D94 R95 I96 G101 S102	D94-S98 WeakPolarHBondContact O-CB 3.33Å; D94-S98 PolarHBondContact O-N 3.42Å; R95-S98 PolarHBondContact O-N 3.13Å; I96-S98 VanDerWaalsContact C-N 3.32Å; I96-S98 PolarHBondContact O-N 3.08Å; S98-G101 PolarHBondContact O-N 2.95Å; S98-S102 WeakPolarHBondContact O-CB 3.42Å; S98-S102 PolarHBondContact O-N 3.11Å; S98-S102 PolarHBondContact O-OG 3.07Å
99	R	87	Confident	83.8	Confident	69 Å²	69	68 Å²	68	26%	0.26	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-44.9	176.4	-173.5	-165.2	71.5	-168.5	8.5	111.3	E73 E74 R95 I96 S102 K103	E73-R99 WeakPolarHBondContact OE2-CD 3.39Å; E73-R99 IonicContact OE2-CZ 3.46Å; E73-R99 IonicContact OE2-NE 3.6Å; E73-R99 IonicContact OE2-NH1 2.97Å; E73-R99 PolarHBondContact OE2-NH1 2.93Å; E74-R99 IonicContact OE1-CZ 3.19Å; E74-R99 IonicContact OE1-NH1 2.61Å; E74-R99 PolarHBondContact OE1-NH1 3.25Å; E74-R99 IonicContact OE1-NH2 3.52Å; E74-R99 PolarHBondContact OE1-NH2 3Å; E74-R99 IonicContact OE2-NH1 3.8Å; R95-R99 WeakPolarHBondContact O-CB 3.32Å; R95-R99 PolarHBondContact O-N 2.71Å; I96-R99 WeakPolarHBondContact O-CB 3.4Å; I96-R99 PolarHBondContact O-N 2.84Å; R99-S102 PolarHBondContact O-N 2.67Å; R99-K103 WeakPolarHBondContact O-CG 3.42Å; R99-K103 PolarHBondContact O-N 2.92Å
100	E	83.1	Confident	82.7	Confident	102 Å²	102	70.8 Å²	70.8	48%	0.477	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-44.5	176.4	-72.5	178.2	169.1	0	0	112	I96 S102 K103 A104	I96-E100 HydrophobicContact CG2-CG 4.44Å; I96-E100 WeakPolarHBondContact O-CG 3.44Å; I96-E100 PolarHBondContact O-N 3.42Å; E100-S102 PolarHBondContact O-N 3.47Å; E100-K103 PolarHBondContact O-N 2.96Å; E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.36Å
101	G	74	Confident	81.4	Confident	17 Å²	17	66 Å²	66	18%	0.175	36%	0.362	C	S	.	.	H	α-helix	trans	-59.1	-36.9	173.3	0	0	0	0	0	112.7	S97 S98 R105	S97-G101 PolarHBondContact O-N 3.39Å; S98-G101 PolarHBondContact O-N 2.95Å; G101-R105 WeakPolarHBondContact O-CB 3.47Å; G101-R105 VanDerWaalsContact O-CG 3.23Å; G101-R105 WeakPolarHBondContact O-CG 3.46Å; G101-R105 PolarHBondContact O-N 2.93Å
102	S	77.8	Confident	80	Confident	65 Å²	65	63.6 Å²	63.6	46%	0.455	35%	0.35	S	S	.	.	H	α-helix	trans	-71.6	-43	177.4	-58.3	0	0	0	0	112.3	S98 R99 E100 R105 A106	S98-S102 WeakPolarHBondContact O-CB 3.42Å; S98-S102 PolarHBondContact O-N 3.11Å; S98-S102 PolarHBondContact O-OG 3.07Å; R99-S102 PolarHBondContact O-N 2.67Å; E100-S102 PolarHBondContact O-N 3.47Å; S102-R105 PolarHBondContact O-N 2.75Å; S102-A106 WeakPolarHBondContact O-CB 3.16Å; S102-A106 PolarHBondContact O-N 3.22Å
103	K	76.1	Confident	78.8	Confident	127 Å²	127	69.3 Å²	69.3	55%	0.552	38%	0.381	S	S	*	.	H	α-helix	trans	-61.2	-45.6	174.1	-75.5	-180	178.9	-179.2	0	111.4	R99 E100 A106 S107	R99-K103 WeakPolarHBondContact O-CG 3.42Å; R99-K103 PolarHBondContact O-N 2.92Å; E100-K103 PolarHBondContact O-N 2.96Å; K103-A106 PolarHBondContact O-N 3.05Å; K103-S107 PolarHBondContact O-N 2.99Å; K103-S107 PolarHBondContact O-OG 2.91Å
104	A	69.8	Low	77.6	Confident	20 Å²	20	68.1 Å²	68.1	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-60.7	-46.2	175.8	0	0	0	0	0	111.4	E100 A106 S107 L108 L136	E100-A104 WeakPolarHBondContact O-CB 3.5Å; E100-A104 PolarHBondContact O-N 3.36Å; A104-A106 VanDerWaalsContact C-N 3.32Å; A104-A106 PolarHBondContact O-N 3.47Å; A104-S107 PolarHBondContact O-N 3.16Å; A104-S107 PolarHBondContact O-OG 2.93Å; A104-L108 VanDerWaalsContact O-CD1 3.27Å; A104-L108 WeakPolarHBondContact O-CD1 3.48Å; A104-L108 WeakPolarHBondContact O-CG 3.43Å; A104-L108 PolarHBondContact O-N 3.48Å; A104-L136 HydrophobicContact CB-CD2 3.67Å
105	R	68.4	Low	76.4	Confident	73 Å²	73	64.2 Å²	64.2	28%	0.275	36%	0.362	S	S	.	.	H	α-helix	trans	-58.5	-45	174.8	-75.2	172.1	-178.3	178.8	4.6	111.7	G101 S102 S107 L108 L109	G101-R105 WeakPolarHBondContact O-CB 3.47Å; G101-R105 VanDerWaalsContact O-CG 3.23Å; G101-R105 WeakPolarHBondContact O-CG 3.46Å; G101-R105 PolarHBondContact O-N 2.93Å; S102-R105 PolarHBondContact O-N 2.75Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S107 PolarHBondContact O-N 3.34Å; R105-L108 PolarHBondContact O-N 3.05Å; R105-L108 VanDerWaalsContact O-N 3.16Å; R105-L109 WeakPolarHBondContact O-CG 3.34Å; R105-L109 PolarHBondContact O-N 3.32Å
106	A	74.6	Confident	75.2	Confident	57 Å²	57	64.5 Å²	64.5	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-39.2	179.4	0	0	0	0	0	112.6	S102 K103 A104 L108 L109 P110	S102-A106 WeakPolarHBondContact O-CB 3.16Å; S102-A106 PolarHBondContact O-N 3.22Å; K103-A106 PolarHBondContact O-N 3.05Å; A104-A106 VanDerWaalsContact C-N 3.32Å; A104-A106 PolarHBondContact O-N 3.47Å; A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 PolarHBondContact O-N 3.1Å; A106-L109 PolarHBondContact O-N 3.34Å; A106-P110 WeakPolarHBondContact O-CD 3.4Å
107	S	71.5	Confident	74.4	Confident	82 Å²	82	74.4 Å²	74.4	57%	0.573	41%	0.407	S	S	*	.	H	α-helix	trans	-70.4	-21.6	176.9	61.3	0	0	0	0	113.5	K103 A104 R105	K103-S107 PolarHBondContact O-N 2.99Å; K103-S107 PolarHBondContact O-OG 2.91Å; A104-S107 PolarHBondContact O-N 3.16Å; A104-S107 PolarHBondContact O-OG 2.93Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S107 PolarHBondContact O-N 3.34Å
108	L	68.8	Low	73.6	Confident	27 Å²	27	76 Å²	76	14%	0.141	41%	0.41	C	S	.	.	H	α-helix	trans	-86.4	-25.4	179.4	-65.2	165.2	0	0	0	113.3	A104 R105 A106 A111 C112 I132 L136	A104-L108 VanDerWaalsContact O-CD1 3.27Å; A104-L108 WeakPolarHBondContact O-CD1 3.48Å; A104-L108 WeakPolarHBondContact O-CG 3.43Å; A104-L108 PolarHBondContact O-N 3.48Å; R105-L108 PolarHBondContact O-N 3.05Å; R105-L108 VanDerWaalsContact O-N 3.16Å; A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 PolarHBondContact O-N 3.1Å; L108-A111 PolarHBondContact O-N 2.75Å; L108-A111 VanDerWaalsContact O-N 3.13Å; L108-C112 PolarHBondContact O-N 2.9Å; L108-I132 HydrophobicContact CD1-CG2 3.26Å; L108-I132 HydrophobicContact CD2-CB 4.2Å; L108-I132 HydrophobicContact CD2-CD1 3.5Å; L108-I132 HydrophobicContact CD2-CG1 3.52Å; L108-I132 HydrophobicContact CD2-CG2 3.61Å; L108-I132 HydrophobicContact CG-CD1 4.47Å; L108-I132 HydrophobicContact CG-CG2 4.01Å; L108-L136 HydrophobicContact CD1-CD1 4.18Å
109	L	71.1	Confident	72.7	Confident	105 Å²	105	75.1 Å²	75.1	55%	0.55	41%	0.413	S	S	.	.	H	α-helix	trans	-53.9	-46.5	-179.1	-72.9	172.2	0	0	0	113	R105 A106 A111 C112 L113	R105-L109 WeakPolarHBondContact O-CG 3.34Å; R105-L109 PolarHBondContact O-N 3.32Å; A106-L109 PolarHBondContact O-N 3.34Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A111 PolarHBondContact O-N 2.97Å; L109-C112 PolarHBondContact O-N 3.33Å; L109-L113 WeakPolarHBondContact O-CB 3.42Å; L109-L113 PolarHBondContact O-N 3.02Å
110	P	74	Confident	71.5	Confident	72 Å²	72	78 Å²	78	47%	0.468	42%	0.424	S	S	.	.	H	α-helix	trans	-61.8	-41.8	177.4	-23.2	34.2	0	0	0	112.8	A106 L113 I114	A106-P110 WeakPolarHBondContact O-CD 3.4Å; P110-L113 WeakPolarHBondContact O-CB 3.32Å; P110-L113 PolarHBondContact O-N 2.92Å; P110-I114 VanDerWaalsContact O-CG1 3.28Å; P110-I114 WeakPolarHBondContact O-CG1 3.32Å; P110-I114 PolarHBondContact O-N 2.99Å
111	A	69.4	Low	70.7	Confident	36 Å²	36	83.6 Å²	83.6	30%	0.298	44%	0.441	S	S	.	.	H	α-helix	trans	-70.3	-39.9	-177.6	0	0	0	0	0	111.9	L108 L109 L113 I114 A115 F128	L108-A111 PolarHBondContact O-N 2.75Å; L108-A111 VanDerWaalsContact O-N 3.13Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A111 PolarHBondContact O-N 2.97Å; A111-L113 VanDerWaalsContact C-N 3.35Å; A111-L113 PolarHBondContact O-N 3.34Å; A111-I114 PolarHBondContact O-N 3.42Å; A111-A115 WeakPolarHBondContact O-CB 2.96Å; A111-A115 PolarHBondContact O-N 2.79Å; A111-F128 HydrophobicContact CB-CE1 4.21Å; A111-F128 HydrophobicContact CB-CE2 4.29Å; A111-F128 HydrophobicContact CB-CZ 3.44Å; A111-F128 VanDerWaalsContact CB-CZ 3.44Å
112	C	66.9	Low	70.1	Confident	13 Å²	13	92.1 Å²	92.1	9%	0.088	47%	0.468	C	S	.	.	H	α-helix	trans	-60.2	-43.2	169.4	-74.8	0	0	0	0	111.9	L108 L109 A115 L116 F125	L108-C112 PolarHBondContact O-N 2.9Å; L109-C112 PolarHBondContact O-N 3.33Å; C112-A115 PolarHBondContact O-N 3.27Å; C112-L116 WeakPolarHBondContact O-CG 3.4Å; C112-L116 PolarHBondContact O-N 3.39Å; C112-F125 HydrophobicContact CB-CZ 4.42Å
113	L	71.2	Confident	69.4	Low	121 Å²	121	94.7 Å²	94.7	63%	0.634	48%	0.477	S	S	*	.	H	α-helix	trans	-63.2	-42.8	178.9	-173.4	68.9	0	0	0	112.1	L109 P110 A111 L116 R117	L109-L113 WeakPolarHBondContact O-CB 3.42Å; L109-L113 PolarHBondContact O-N 3.02Å; P110-L113 WeakPolarHBondContact O-CB 3.32Å; P110-L113 PolarHBondContact O-N 2.92Å; A111-L113 VanDerWaalsContact C-N 3.35Å; A111-L113 PolarHBondContact O-N 3.34Å; L113-L116 PolarHBondContact O-N 2.71Å; L113-R117 WeakPolarHBondContact O-CB 3.32Å; L113-R117 PolarHBondContact O-N 2.87Å
114	I	71	Confident	68.8	Low	100 Å²	100	90.5 Å²	90.5	51%	0.513	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-45	175.4	-69.2	166.3	0	0	0	110.6	P110 A111 L116 R117 N118	P110-I114 VanDerWaalsContact O-CG1 3.28Å; P110-I114 WeakPolarHBondContact O-CG1 3.32Å; P110-I114 PolarHBondContact O-N 2.99Å; A111-I114 PolarHBondContact O-N 3.42Å; I114-L116 VanDerWaalsContact C-N 3.32Å; I114-L116 PolarHBondContact O-N 3.02Å; I114-R117 PolarHBondContact O-N 2.88Å; I114-N118 VanDerWaalsContact CG2-ND2 3.35Å; I114-N118 WeakPolarHBondContact CG2-ND2 3.38Å; I114-N118 WeakPolarHBondContact O-CB 3.49Å; I114-N118 PolarHBondContact O-N 2.88Å; I114-N118 PolarHBondContact O-ND2 2.89Å
115	A	68	Low	68.4	Low	7 Å²	7	90 Å²	90	6%	0.058	46%	0.46	C	S	.	.	H	α-helix	trans	-61.6	-40.2	178.5	0	0	0	0	0	112.1	A111 C112 Y120 F125	A111-A115 WeakPolarHBondContact O-CB 2.96Å; A111-A115 PolarHBondContact O-N 2.79Å; C112-A115 PolarHBondContact O-N 3.27Å; A115-Y120 HydrophobicContact CB-CD2 4.14Å; A115-Y120 HydrophobicContact CB-CG 4.27Å; A115-Y120 WeakPolarHBondContact O-CD2 3.37Å; A115-Y120 PolarHBondContact O-N 3.02Å; A115-F125 HydrophobicContact CB-CD2 3.79Å; A115-F125 HydrophobicContact CB-CE2 3.87Å
116	L	67.9	Low	68.1	Low	97 Å²	97	90.4 Å²	90.4	51%	0.508	47%	0.467	S	S	.	.	H	α-helix	trans	-64.3	-45	173.7	-71	171.5	0	0	0	111.9	C112 L113 I114 N118 G119	C112-L116 WeakPolarHBondContact O-CG 3.4Å; C112-L116 PolarHBondContact O-N 3.39Å; L113-L116 PolarHBondContact O-N 2.71Å; I114-L116 VanDerWaalsContact C-N 3.32Å; I114-L116 PolarHBondContact O-N 3.02Å; L116-N118 VanDerWaalsContact C-N 3.31Å; L116-N118 PolarHBondContact O-N 2.92Å; L116-G119 PolarHBondContact O-N 3.4Å
117	R	76.8	Confident	67.7	Low	225 Å²	225	92.6 Å²	92.6	85%	0.849	47%	0.47	S	S	*	.	H	α-helix	trans	-64	-34.1	179.8	-176	175.9	175.4	168.9	-0.9	113	L113 I114 G119	L113-R117 WeakPolarHBondContact O-CB 3.32Å; L113-R117 PolarHBondContact O-N 2.87Å; I114-R117 PolarHBondContact O-N 2.88Å; R117-G119 VanDerWaalsContact C-N 3.28Å; R117-G119 PolarHBondContact O-N 2.79Å
118	N	72.3	Confident	67.4	Low	104 Å²	104	91.7 Å²	91.7	56%	0.556	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	7.4	-178.7	-71.2	-33.6	0	0	0	113.9	I114 L116 Y120	I114-N118 VanDerWaalsContact CG2-ND2 3.35Å; I114-N118 WeakPolarHBondContact CG2-ND2 3.38Å; I114-N118 WeakPolarHBondContact O-CB 3.49Å; I114-N118 PolarHBondContact O-N 2.88Å; I114-N118 PolarHBondContact O-ND2 2.89Å; L116-N118 VanDerWaalsContact C-N 3.31Å; L116-N118 PolarHBondContact O-N 2.92Å; N118-Y120 VanDerWaalsContact C-N 3.31Å; N118-Y120 HydrophobicContact CB-CD2 3.91Å; N118-Y120 HydrophobicContact CB-CE2 3.95Å; N118-Y120 PolarHBondContact O-N 3.36Å
119	G	66.8	Low	67	Low	58 Å²	58	91.7 Å²	91.7	60%	0.598	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	33.5	175.5	0	0	0	0	0	113.7	L116 R117 R121	L116-G119 PolarHBondContact O-N 3.4Å; R117-G119 VanDerWaalsContact C-N 3.28Å; R117-G119 PolarHBondContact O-N 2.79Å; G119-R121 PolarHBondContact O-N 2.9Å; G119-R121 VanDerWaalsContact O-N 3.12Å
120	Y	62.4	Low	66.7	Low	130 Å²	130	91 Å²	91	51%	0.51	46%	0.455	S	S	.	.			trans	-52.5	121.8	176.7	-91.1	-110.4	0	0	0	109.9	A115 N118 A124	A115-Y120 HydrophobicContact CB-CD2 4.14Å; A115-Y120 HydrophobicContact CB-CG 4.27Å; A115-Y120 WeakPolarHBondContact O-CD2 3.37Å; A115-Y120 PolarHBondContact O-N 3.02Å; N118-Y120 VanDerWaalsContact C-N 3.31Å; N118-Y120 HydrophobicContact CB-CD2 3.91Å; N118-Y120 HydrophobicContact CB-CE2 3.95Å; N118-Y120 PolarHBondContact O-N 3.36Å; Y120-A124 HydrophobicContact CD1-CB 3.64Å; Y120-A124 HydrophobicContact CE1-CB 4.3Å
121	R	65.4	Low	66.3	Low	219 Å²	219	90.1 Å²	90.1	83%	0.826	45%	0.454	S	S	*	.			trans	-57.2	142.6	175	-68.4	-167.2	-178.9	-170.6	1.9	109.2	G119 N123 A124 F125	G119-R121 PolarHBondContact O-N 2.9Å; G119-R121 VanDerWaalsContact O-N 3.12Å; R121-N123 PolarHBondContact O-N 3.15Å; R121-A124 PolarHBondContact O-N 2.86Å; R121-F125 PolarHBondContact O-N 3.1Å
122	R	62.5	Low	65.9	Low	197 Å²	197	89.3 Å²	89.3	74%	0.743	44%	0.444	S	S	*	.	H	α-helix	trans	-34.9	-47.6	-176.8	-95.7	-174.8	-95.9	159.6	-8.9	114.2	F125 I126	R122-F125 PolarHBondContact O-N 3.47Å; R122-I126 VanDerWaalsContact O-CG1 3.25Å; R122-I126 WeakPolarHBondContact O-CG1 3.04Å; R122-I126 PolarHBondContact O-N 3.02Å
123	N	63.7	Low	65.5	Low	118 Å²	118	92.2 Å²	92.2	63%	0.631	46%	0.459	S	S	*	.	H	α-helix	trans	-66.7	-43	-177.2	-63.3	-6.7	0	0	0	113.2	R121 F125 I126 D127	R121-N123 PolarHBondContact O-N 3.15Å; N123-F125 VanDerWaalsContact C-N 3.26Å; N123-F125 PolarHBondContact O-N 2.84Å; N123-I126 WeakPolarHBondContact O-CB 3.47Å; N123-I126 PolarHBondContact O-N 3.42Å; N123-I126 VanDerWaalsContact O-N 3.13Å; N123-D127 VanDerWaalsContact O-CG 3.24Å; N123-D127 PolarHBondContact O-N 2.95Å
124	A	63.1	Low	65.1	Low	39 Å²	39	88.3 Å²	88.3	32%	0.322	44%	0.444	S	S	.	.	H	α-helix	trans	-67.4	-30.1	178.9	0	0	0	0	0	112.1	Y120 R121 F128	Y120-A124 HydrophobicContact CD1-CB 3.64Å; Y120-A124 HydrophobicContact CE1-CB 4.3Å; R121-A124 PolarHBondContact O-N 2.86Å; A124-F128 WeakPolarHBondContact O-CB 3.19Å; A124-F128 PolarHBondContact O-N 3.08Å; A124-F128 VanDerWaalsContact O-N 3.11Å
125	F	59.9	Low	64.3	Low	9 Å²	9	90.5 Å²	90.5	4%	0.039	46%	0.457	C	S	.	.	H	α-helix	trans	-73.1	-39.7	171.7	-168.9	-78.3	0	0	0	112	C112 A115 R121 R122 N123 D127 F128 C129 F150	C112-F125 HydrophobicContact CB-CZ 4.42Å; A115-F125 HydrophobicContact CB-CD2 3.79Å; A115-F125 HydrophobicContact CB-CE2 3.87Å; R121-F125 PolarHBondContact O-N 3.1Å; R122-F125 PolarHBondContact O-N 3.47Å; N123-F125 VanDerWaalsContact C-N 3.26Å; N123-F125 PolarHBondContact O-N 2.84Å; F125-D127 VanDerWaalsContact C-N 3.31Å; F125-D127 PolarHBondContact O-N 2.93Å; F125-F128 HydrophobicContact CE2-CD1 4.47Å; F125-F128 WeakPolarHBondContact O-CB 3.47Å; F125-F128 PolarHBondContact O-N 2.86Å; F125-C129 HydrophobicContact CE1-CB 4.41Å; F125-C129 WeakPolarHBondContact CE1-SG 3.49Å; F125-C129 PolarHBondContact O-N 3.26Å; F125-F150 HydrophobicContact CD1-CD1 4.23Å; F125-F150 AromaticContact CD1-CE1 3.26Å; F125-F150 HydrophobicContact CD1-CE1 3.26Å; F125-F150 AromaticContact CD1-CE2 3.95Å; F125-F150 HydrophobicContact CD1-CE2 3.95Å; F125-F150 AromaticContact CD1-CZ 3.17Å; F125-F150 HydrophobicContact CD1-CZ 3.17Å; F125-F150 HydrophobicContact CD2-CZ 4.18Å; F125-F150 HydrophobicContact CE1-CD1 4.05Å; F125-F150 AromaticContact CE1-CD2 3.85Å; F125-F150 HydrophobicContact CE1-CD2 3.85Å; F125-F150 AromaticContact CE1-CE1 3.24Å; F125-F150 HydrophobicContact CE1-CE1 3.24Å; F125-F150 AromaticContact CE1-CE2 3.02Å; F125-F150 HydrophobicContact CE1-CE2 3.02Å; F125-F150 HydrophobicContact CE1-CG 4.34Å; F125-F150 AromaticContact CE1-CZ 2.72Å; F125-F150 HydrophobicContact CE1-CZ 2.72Å; F125-F150 HydrophobicContact CE2-CE2 4.15Å; F125-F150 AromaticContact CE2-CZ 3.79Å; F125-F150 HydrophobicContact CE2-CZ 3.79Å; F125-F150 HydrophobicContact CG-CE1 4.16Å; F125-F150 AromaticContact CG-CZ 3.92Å; F125-F150 HydrophobicContact CG-CZ 3.92Å; F125-F150 HydrophobicContact CZ-CD2 4.23Å; F125-F150 HydrophobicContact CZ-CE1 4.05Å; F125-F150 AromaticContact CZ-CE2 3.13Å; F125-F150 HydrophobicContact CZ-CE2 3.13Å; F125-F150 AromaticContact CZ-CZ 3.07Å; F125-F150 HydrophobicContact CZ-CZ 3.07Å
126	I	63.8	Low	63.8	Low	82 Å²	82	92 Å²	92	42%	0.421	46%	0.464	S	S	.	.	H	α-helix	trans	-59.2	-44.6	173.2	-71.6	163.9	0	0	0	110.1	R122 N123 F128 C129 N130	R122-I126 VanDerWaalsContact O-CG1 3.25Å; R122-I126 WeakPolarHBondContact O-CG1 3.04Å; R122-I126 PolarHBondContact O-N 3.02Å; N123-I126 WeakPolarHBondContact O-CB 3.47Å; N123-I126 PolarHBondContact O-N 3.42Å; N123-I126 VanDerWaalsContact O-N 3.13Å; I126-F128 VanDerWaalsContact C-N 3.34Å; I126-F128 PolarHBondContact O-N 2.94Å; I126-C129 PolarHBondContact O-N 2.93Å; I126-N130 WeakPolarHBondContact CG2-ND2 3.37Å; I126-N130 WeakPolarHBondContact O-CB 3.45Å; I126-N130 PolarHBondContact O-N 3.14Å; I126-N130 PolarHBondContact O-ND2 2.99Å
127	D	65.8	Low	63	Low	103 Å²	103	97.1 Å²	97.1	55%	0.551	48%	0.476	S	S	*	.	H	α-helix	trans	-61.4	-42.2	177	-65.3	-27.6	0	0	0	111.7	N123 F125 N130 A131	N123-D127 VanDerWaalsContact O-CG 3.24Å; N123-D127 PolarHBondContact O-N 2.95Å; F125-D127 VanDerWaalsContact C-N 3.31Å; F125-D127 PolarHBondContact O-N 2.93Å; D127-N130 PolarHBondContact O-N 3.47Å; D127-A131 WeakPolarHBondContact O-CB 3.27Å; D127-A131 PolarHBondContact O-N 2.85Å
128	F	65.6	Low	61.7	Low	63 Å²	63	94.4 Å²	94.4	28%	0.276	48%	0.479	S	S	.	.	H	α-helix	trans	-60.3	-49.3	174.3	178.8	-108.7	0	0	0	112.1	A111 A124 F125 I126 N130 A131 I132	A111-F128 HydrophobicContact CB-CE1 4.21Å; A111-F128 HydrophobicContact CB-CE2 4.29Å; A111-F128 HydrophobicContact CB-CZ 3.44Å; A111-F128 VanDerWaalsContact CB-CZ 3.44Å; A124-F128 WeakPolarHBondContact O-CB 3.19Å; A124-F128 PolarHBondContact O-N 3.08Å; A124-F128 VanDerWaalsContact O-N 3.11Å; F125-F128 HydrophobicContact CE2-CD1 4.47Å; F125-F128 WeakPolarHBondContact O-CB 3.47Å; F125-F128 PolarHBondContact O-N 2.86Å; I126-F128 VanDerWaalsContact C-N 3.34Å; I126-F128 PolarHBondContact O-N 2.94Å; F128-N130 VanDerWaalsContact C-N 3.34Å; F128-N130 PolarHBondContact O-N 2.9Å; F128-A131 PolarHBondContact O-N 2.79Å; F128-I132 HydrophobicContact CD1-CD1 3.57Å; F128-I132 HydrophobicContact CD2-CD1 4.25Å; F128-I132 HydrophobicContact CE1-CD1 3.15Å; F128-I132 HydrophobicContact CE1-CG1 4.41Å; F128-I132 HydrophobicContact CE2-CD1 3.89Å; F128-I132 HydrophobicContact CE2-CG1 4.41Å; F128-I132 HydrophobicContact CG-CD1 4.1Å; F128-I132 HydrophobicContact CZ-CD1 3.31Å; F128-I132 HydrophobicContact CZ-CG1 4.23Å; F128-I132 WeakPolarHBondContact O-CD1 3.2Å; F128-I132 VanDerWaalsContact O-CG1 3.25Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 3.22Å
129	C	60.4	Low	60.5	Low	27 Å²	27	91.1 Å²	91.1	18%	0.182	46%	0.464	C	S	.	.	H	α-helix	trans	-62.3	-38.8	175.6	-89.9	0	0	0	0	113.1	F125 I126 I132 N133	F125-C129 HydrophobicContact CE1-CB 4.41Å; F125-C129 WeakPolarHBondContact CE1-SG 3.49Å; F125-C129 PolarHBondContact O-N 3.26Å; I126-C129 PolarHBondContact O-N 2.93Å; C129-I132 PolarHBondContact O-N 3.36Å; C129-N133 VanDerWaalsContact O-CB 3.29Å; C129-N133 WeakPolarHBondContact O-CB 3.41Å; C129-N133 PolarHBondContact O-N 3.38Å
130	N	64.4	Low	59.6	Low	91 Å²	91	94.9 Å²	94.9	49%	0.487	48%	0.481	S	S	.	.	H	α-helix	trans	-66.3	-41.8	176.7	-74.1	-24.5	0	0	0	111.2	I126 D127 F128 I132 N133 A134	I126-N130 WeakPolarHBondContact CG2-ND2 3.37Å; I126-N130 WeakPolarHBondContact O-CB 3.45Å; I126-N130 PolarHBondContact O-N 3.14Å; I126-N130 PolarHBondContact O-ND2 2.99Å; D127-N130 PolarHBondContact O-N 3.47Å; F128-N130 VanDerWaalsContact C-N 3.34Å; F128-N130 PolarHBondContact O-N 2.9Å; N130-I132 VanDerWaalsContact C-N 3.31Å; N130-I132 PolarHBondContact O-N 3.4Å; N130-N133 PolarHBondContact O-N 3.06Å; N130-A134 WeakPolarHBondContact O-CB 3.48Å; N130-A134 PolarHBondContact O-N 3.13Å
131	A	64.1	Low	58.9	Low	53 Å²	53	92.4 Å²	92.4	44%	0.438	48%	0.482	S	S	.	.	H	α-helix	trans	-62.6	-39.2	175.1	0	0	0	0	0	111.8	D127 F128 N135	D127-A131 WeakPolarHBondContact O-CB 3.27Å; D127-A131 PolarHBondContact O-N 2.85Å; F128-A131 PolarHBondContact O-N 2.79Å; A131-N135 PolarHBondContact O-N 2.9Å; A131-N135 PolarHBondContact O-ND2 3.27Å
132	I	61	Low	58	Low	19 Å²	19	83.6 Å²	83.6	10%	0.097	45%	0.452	C	S	.	.	H	α-helix	trans	-65.2	-50.3	173.5	-71	164.5	0	0	0	111.2	L108 F128 C129 N130 A134 N135 L136	L108-I132 HydrophobicContact CD1-CG2 3.26Å; L108-I132 HydrophobicContact CD2-CB 4.2Å; L108-I132 HydrophobicContact CD2-CD1 3.5Å; L108-I132 HydrophobicContact CD2-CG1 3.52Å; L108-I132 HydrophobicContact CD2-CG2 3.61Å; L108-I132 HydrophobicContact CG-CD1 4.47Å; L108-I132 HydrophobicContact CG-CG2 4.01Å; F128-I132 HydrophobicContact CD1-CD1 3.57Å; F128-I132 HydrophobicContact CD2-CD1 4.25Å; F128-I132 HydrophobicContact CE1-CD1 3.15Å; F128-I132 HydrophobicContact CE1-CG1 4.41Å; F128-I132 HydrophobicContact CE2-CD1 3.89Å; F128-I132 HydrophobicContact CE2-CG1 4.41Å; F128-I132 HydrophobicContact CG-CD1 4.1Å; F128-I132 HydrophobicContact CZ-CD1 3.31Å; F128-I132 HydrophobicContact CZ-CG1 4.23Å; F128-I132 WeakPolarHBondContact O-CD1 3.2Å; F128-I132 VanDerWaalsContact O-CG1 3.25Å; F128-I132 WeakPolarHBondContact O-CG1 3.38Å; F128-I132 PolarHBondContact O-N 3.22Å; C129-I132 PolarHBondContact O-N 3.36Å; N130-I132 VanDerWaalsContact C-N 3.31Å; N130-I132 PolarHBondContact O-N 3.4Å; I132-A134 VanDerWaalsContact C-N 3.28Å; I132-A134 PolarHBondContact O-N 2.95Å; I132-N135 PolarHBondContact O-N 3.05Å; I132-L136 HydrophobicContact CG2-CD1 3.97Å; I132-L136 WeakPolarHBondContact O-CG 3.33Å; I132-L136 PolarHBondContact O-N 3Å
133	N	60	Low	57.3	Low	75 Å²	75	81.4 Å²	81.4	40%	0.401	46%	0.455	S	S	.	.	H	α-helix	trans	-65.6	-34.4	-177	-162.8	29.5	0	0	0	111.5	C129 N130 N135 L136	C129-N133 VanDerWaalsContact O-CB 3.29Å; C129-N133 WeakPolarHBondContact O-CB 3.41Å; C129-N133 PolarHBondContact O-N 3.38Å; N130-N133 PolarHBondContact O-N 3.06Å; N133-N135 PolarHBondContact O-N 2.68Å; N133-L136 PolarHBondContact O-N 3.05Å
134	A	62.2	Low	56.8	Low	38 Å²	38	76.1 Å²	76.1	31%	0.314	43%	0.427	S	S	.	.	H	α-helix	trans	-62.2	-25.8	173.5	0	0	0	0	0	113.3	N130 I132 R137	N130-A134 WeakPolarHBondContact O-CB 3.48Å; N130-A134 PolarHBondContact O-N 3.13Å; I132-A134 VanDerWaalsContact C-N 3.28Å; I132-A134 PolarHBondContact O-N 2.95Å; A134-R137 VanDerWaalsContact O-CD 3.31Å; A134-R137 WeakPolarHBondContact O-CD 3.3Å; A134-R137 VanDerWaalsContact O-CG 3.25Å; A134-R137 WeakPolarHBondContact O-CG 3.32Å; A134-R137 PolarHBondContact O-NE 2.78Å
135	N	55	Low	56.3	Low	146 Å²	146	78.8 Å²	78.8	78%	0.781	44%	0.435	S	S	*	.	H	α-helix	trans	-85.9	-15.8	173.7	-78	-58.2	0	0	0	113	A131 I132 N133	A131-N135 PolarHBondContact O-N 2.9Å; A131-N135 PolarHBondContact O-ND2 3.27Å; I132-N135 PolarHBondContact O-N 3.05Å; N133-N135 PolarHBondContact O-N 2.68Å
136	L	56.3	Low	55.9	Low	40 Å²	40	79.6 Å²	79.6	21%	0.209	44%	0.44	C	S	.	.			trans	-99.8	17.3	-178.1	-62.5	173.7	0	0	0	113.7	A104 L108 I132 N133 N138 S139 L142	A104-L136 HydrophobicContact CB-CD2 3.67Å; L108-L136 HydrophobicContact CD1-CD1 4.18Å; I132-L136 HydrophobicContact CG2-CD1 3.97Å; I132-L136 WeakPolarHBondContact O-CG 3.33Å; I132-L136 PolarHBondContact O-N 3Å; N133-L136 PolarHBondContact O-N 3.05Å; L136-N138 PolarHBondContact O-N 3.17Å; L136-S139 PolarHBondContact O-N 3.34Å; L136-L142 HydrophobicContact CB-CD1 3.78Å; L136-L142 HydrophobicContact CB-CD2 4.37Å; L136-L142 HydrophobicContact CD1-CD1 4.21Å; L136-L142 HydrophobicContact CD1-CD2 3.66Å
137	R	51	Low	55.2	Low	203 Å²	203	79.5 Å²	79.5	77%	0.766	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-11.1	-170.5	-79.1	177	-157.8	-137.1	2.1	117	A134	A134-R137 VanDerWaalsContact O-CD 3.31Å; A134-R137 WeakPolarHBondContact O-CD 3.3Å; A134-R137 VanDerWaalsContact O-CG 3.25Å; A134-R137 WeakPolarHBondContact O-CG 3.32Å; A134-R137 PolarHBondContact O-NE 2.78Å
138	N	50.6	Low	54.7	Low	169 Å²	169	80.4 Å²	80.4	90%	0.904	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.4	176.8	-76.9	-13.8	0	0	0	115.1	L136	L136-N138 PolarHBondContact O-N 3.17Å
139	S	47.5	Very low	54.2	Low	35 Å²	35	81.7 Å²	81.7	25%	0.245	46%	0.456	C	S	.	.			trans	-104.9	93.7	178.1	177.8	0	0	0	0	110.5	L136 S141 L142	L136-S139 PolarHBondContact O-N 3.34Å; S139-S141 PolarHBondContact O-N 3.32Å; S139-S141 PolarHBondContact OG-OG 3.43Å; S139-L142 VanDerWaalsContact CB-CD1 3.43Å; S139-L142 PolarHBondContact O-N 3.38Å; S139-L142 VanDerWaalsContact O-N 3.17Å
140	S	47.7	Very low	53.8	Low	136 Å²	136	82.6 Å²	82.6	95%	0.951	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	3.4	170.3	47.6	0	0	0	0	114.2
141	S	47.4	Very low	53.2	Low	78 Å²	78	87.8 Å²	87.8	55%	0.545	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	7.5	175.3	79.7	0	0	0	0	114.5	S139 N143	S139-S141 PolarHBondContact O-N 3.32Å; S139-S141 PolarHBondContact OG-OG 3.43Å; S141-N143 PolarHBondContact O-N 2.96Å
142	L	46.1	Very low	52.5	Low	34 Å²	34	94.8 Å²	94.8	18%	0.178	48%	0.484	C	S	.	.			trans	-77.1	41	172.1	-88.6	114.4	0	0	0	114.4	L136 S139 C144	L136-L142 HydrophobicContact CB-CD1 3.78Å; L136-L142 HydrophobicContact CB-CD2 4.37Å; L136-L142 HydrophobicContact CD1-CD1 4.21Å; L136-L142 HydrophobicContact CD1-CD2 3.66Å; S139-L142 VanDerWaalsContact CB-CD1 3.43Å; S139-L142 PolarHBondContact O-N 3.38Å; S139-L142 VanDerWaalsContact O-N 3.17Å; L142-C144 HydrophobicContact CB-CB 4.16Å; L142-C144 HydrophobicContact CD2-CB 3.81Å; L142-C144 VanDerWaalsContact CD2-SG 3.57Å; L142-C144 HydrophobicContact CG-CB 4.11Å; L142-C144 PolarHBondContact O-N 3.29Å
143	N	47.5	Very low	51.8	Low	152 Å²	152	97.1 Å²	97.1	81%	0.813	50%	0.501	S	S	*	.	S	Bend	trans	-70.8	58.1	142.8	-95.2	-28.4	0	0	0	108.7	S141	S141-N143 PolarHBondContact O-N 2.96Å
144	C	53	Low	50.9	Low	6 Å²	6	96 Å²	96	4%	0.041	50%	0.499	C	S	.	.			trans	-66	142.9	-147.7	-163.8	0	0	0	0	110.5	L142 L146 C147 Q148	L142-C144 HydrophobicContact CB-CB 4.16Å; L142-C144 HydrophobicContact CD2-CB 3.81Å; L142-C144 VanDerWaalsContact CD2-SG 3.57Å; L142-C144 HydrophobicContact CG-CB 4.11Å; L142-C144 PolarHBondContact O-N 3.29Å; C144-L146 HydrophobicContact CB-CB 4.19Å; C144-L146 CarbonylContact O-C 3.56Å; C144-L146 PolarHBondContact O-N 3.22Å; C144-C147 WeakPolarHBondContact O-CA 3.27Å; C144-C147 WeakPolarHBondContact O-CB 3.36Å; C144-C147 PolarHBondContact O-N 3.29Å; C144-Q148 PolarHBondContact O-N 3.41Å
145	L	52.4	Low	50.1	Low	96 Å²	96	102.5 Å²	102.5	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-50.2	-28.6	166.4	-161.1	74	0	0	0	110.8	Q148 L149	L145-Q148 PolarHBondContact O-N 3.04Å; L145-L149 HydrophobicContact CD2-CD1 4.26Å; L145-L149 HydrophobicContact CG-CD1 3.96Å; L145-L149 HydrophobicContact CG-CG 4.29Å; L145-L149 WeakPolarHBondContact O-CB 3.27Å; L145-L149 WeakPolarHBondContact O-CD1 3.09Å; L145-L149 WeakPolarHBondContact O-CG 3.25Å; L145-L149 PolarHBondContact O-N 3.46Å
146	L	51.2	Low	49.7	Very low	26 Å²	26	100.2 Å²	100.2	14%	0.136	52%	0.516	C	S	.	.	H	α-helix	trans	-59.7	-47.7	168.5	-106.9	84.1	0	0	0	113	C144 Q148 F150	C144-L146 HydrophobicContact CB-CB 4.19Å; C144-L146 CarbonylContact O-C 3.56Å; C144-L146 PolarHBondContact O-N 3.22Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-F150 WeakPolarHBondContact O-CB 3.45Å; L146-F150 WeakPolarHBondContact O-CD2 3.4Å; L146-F150 PolarHBondContact O-N 2.92Å
147	C	50.6	Low	48.8	Very low	79 Å²	79	104.7 Å²	104.7	53%	0.534	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-35.9	175.8	-72.7	0	0	0	0	112.3	C144 F150 R151	C144-C147 WeakPolarHBondContact O-CA 3.27Å; C144-C147 WeakPolarHBondContact O-CB 3.36Å; C144-C147 PolarHBondContact O-N 3.29Å; C147-F150 PolarHBondContact O-N 3.35Å; C147-R151 PolarHBondContact O-N 2.9Å; C147-R151 VanDerWaalsContact O-N 3.07Å
148	Q	54.7	Low	48.1	Very low	123 Å²	123	104.1 Å²	104.1	58%	0.575	56%	0.561	S	S	*	*	H	α-helix	trans	-72.5	-42.1	176.7	-67.5	-176.2	-13.2	0	0	112.6	C144 L145 L146 F150 R151 R152	C144-Q148 PolarHBondContact O-N 3.41Å; L145-Q148 PolarHBondContact O-N 3.04Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; Q148-F150 VanDerWaalsContact C-N 3.28Å; Q148-R151 PolarHBondContact O-N 3.25Å; Q148-R152 PolarHBondContact O-N 3.15Å
149	L	55.5	Low	47.9	Very low	89 Å²	89	100.9 Å²	100.9	47%	0.466	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-36.2	171.6	-71.7	165.9	0	0	0	110.4	L145 R152 C153	L145-L149 HydrophobicContact CD2-CD1 4.26Å; L145-L149 HydrophobicContact CG-CD1 3.96Å; L145-L149 HydrophobicContact CG-CG 4.29Å; L145-L149 WeakPolarHBondContact O-CB 3.27Å; L145-L149 WeakPolarHBondContact O-CD1 3.09Å; L145-L149 WeakPolarHBondContact O-CG 3.25Å; L145-L149 PolarHBondContact O-N 3.46Å; L149-R152 PolarHBondContact O-N 3.38Å; L149-R152 VanDerWaalsContact O-N 3.14Å; L149-C153 PolarHBondContact O-N 3.48Å; L149-C153 PolarHBondContact O-SG 2.94Å
150	F	51.4	Low	48	Very low	47 Å²	47	104.4 Å²	104.4	21%	0.206	56%	0.56	C	S	.	*	H	α-helix	trans	-64.8	-41.7	176.4	-111.1	-96.4	0	0	0	114.1	F125 L146 C147 Q148 R152 C153 C154	F125-F150 HydrophobicContact CD1-CD1 4.23Å; F125-F150 AromaticContact CD1-CE1 3.26Å; F125-F150 HydrophobicContact CD1-CE1 3.26Å; F125-F150 AromaticContact CD1-CE2 3.95Å; F125-F150 HydrophobicContact CD1-CE2 3.95Å; F125-F150 AromaticContact CD1-CZ 3.17Å; F125-F150 HydrophobicContact CD1-CZ 3.17Å; F125-F150 HydrophobicContact CD2-CZ 4.18Å; F125-F150 HydrophobicContact CE1-CD1 4.05Å; F125-F150 AromaticContact CE1-CD2 3.85Å; F125-F150 HydrophobicContact CE1-CD2 3.85Å; F125-F150 AromaticContact CE1-CE1 3.24Å; F125-F150 HydrophobicContact CE1-CE1 3.24Å; F125-F150 AromaticContact CE1-CE2 3.02Å; F125-F150 HydrophobicContact CE1-CE2 3.02Å; F125-F150 HydrophobicContact CE1-CG 4.34Å; F125-F150 AromaticContact CE1-CZ 2.72Å; F125-F150 HydrophobicContact CE1-CZ 2.72Å; F125-F150 HydrophobicContact CE2-CE2 4.15Å; F125-F150 AromaticContact CE2-CZ 3.79Å; F125-F150 HydrophobicContact CE2-CZ 3.79Å; F125-F150 HydrophobicContact CG-CE1 4.16Å; F125-F150 AromaticContact CG-CZ 3.92Å; F125-F150 HydrophobicContact CG-CZ 3.92Å; F125-F150 HydrophobicContact CZ-CD2 4.23Å; F125-F150 HydrophobicContact CZ-CE1 4.05Å; F125-F150 AromaticContact CZ-CE2 3.13Å; F125-F150 HydrophobicContact CZ-CE2 3.13Å; F125-F150 AromaticContact CZ-CZ 3.07Å; F125-F150 HydrophobicContact CZ-CZ 3.07Å; L146-F150 WeakPolarHBondContact O-CB 3.45Å; L146-F150 WeakPolarHBondContact O-CD2 3.4Å; L146-F150 PolarHBondContact O-N 2.92Å; C147-F150 PolarHBondContact O-N 3.35Å; Q148-F150 VanDerWaalsContact C-N 3.28Å; F150-R152 PolarHBondContact O-N 2.64Å; F150-C153 PolarHBondContact O-N 2.97Å; F150-C154 VanDerWaalsContact CD1-SG 3.51Å; F150-C154 WeakPolarHBondContact CE1-SG 3.08Å; F150-C154 WeakPolarHBondContact O-CB 3.32Å; F150-C154 PolarHBondContact O-N 3Å
151	R	51.9	Low	48	Very low	199 Å²	199	102.6 Å²	102.6	75%	0.751	54%	0.538	S	S	*	.	H	α-helix	trans	-59.6	-30.7	172.8	-89.6	-172.4	177.8	-171.2	0.1	112.2	C147 Q148 F155	C147-R151 PolarHBondContact O-N 2.9Å; C147-R151 VanDerWaalsContact O-N 3.07Å; Q148-R151 PolarHBondContact O-N 3.25Å; R151-F155 VanDerWaalsContact O-CD2 3.27Å; R151-F155 WeakPolarHBondContact O-CD2 3.43Å
152	R	48.9	Very low	48	Very low	201 Å²	201	104.1 Å²	104.1	76%	0.758	54%	0.538	S	S	*	.	H	α-helix	trans	-78.6	-41.3	175.5	-77.7	-175.8	163.7	-172.2	-4.4	112.5	Q148 L149 F150 S156	Q148-R152 PolarHBondContact O-N 3.15Å; L149-R152 PolarHBondContact O-N 3.38Å; L149-R152 VanDerWaalsContact O-N 3.14Å; F150-R152 PolarHBondContact O-N 2.64Å; R152-S156 PolarHBondContact O-OG 3.48Å
153	C	46.1	Very low	48.1	Very low	67 Å²	67	108.4 Å²	108.4	45%	0.453	56%	0.561	S	S	.	*	H	α-helix	trans	-75.6	-37.3	-177.4	-67.3	0	0	0	0	113.9	L149 F150	L149-C153 PolarHBondContact O-N 3.48Å; L149-C153 PolarHBondContact O-SG 2.94Å; F150-C153 PolarHBondContact O-N 2.97Å
154	C	42.4	Very low	48.2	Very low	51 Å²	51	105.5 Å²	105.5	35%	0.345	54%	0.544	S	S	.	.	H	α-helix	trans	-77.4	-21.7	-176.8	-75.5	0	0	0	0	114.5	F150	F150-C154 VanDerWaalsContact CD1-SG 3.51Å; F150-C154 WeakPolarHBondContact CE1-SG 3.08Å; F150-C154 WeakPolarHBondContact O-CB 3.32Å; F150-C154 PolarHBondContact O-N 3Å
155	F	45.4	Very low	47.8	Very low	175 Å²	175	112.6 Å²	112.6	77%	0.768	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	1.9	179.3	-79.7	-88.1	0	0	0	113.6	R151	R151-F155 VanDerWaalsContact O-CD2 3.27Å; R151-F155 WeakPolarHBondContact O-CD2 3.43Å
156	S	46.1	Very low	47.5	Very low	99 Å²	99	113.9 Å²	113.9	69%	0.692	59%	0.586	S	S	*	*	S	Bend	trans	-109	12.7	177.9	-61	0	0	0	0	113.8	R152	R152-S156 PolarHBondContact O-OG 3.48Å
157	I	36.5	Very low	47.2	Very low	133 Å²	133	121.3 Å²	121.3	68%	0.682	62%	0.623	S	S	*	*			trans	-98.8	120.1	169.8	-56	169.3	0	0	0	106.1
158	P	36.7	Very low	46.9	Very low	192 Å²	192	125.1 Å²	125.1	100%	1.247	63%	0.631	S	S	*	*			trans	-59.8	0	-179.9	25.6	-33.5	0	0	0	113

Retrieved 158 of 158 residues in 294.3 ms (Link to these results)

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