A0A096MTA4_PAPAN Loading...

Myotubularin-related protein 9

AlphaFold DB , UniProt , Accession A0A096MTA4, Species PAPAN (Papio anubis, Olive baboon), Gene MTMR9, Length 549 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	56.9	Low	86.5	Confident	152 Å²	152	89.1 Å²	89.1	75%	0.749	45%	0.447	S	S	*	.				0	110.4	0	-171.4	179.5	-75.3	0	0	105.8	L6 L102 L107	M1-L6 HydrophobicContact SD-CD1 4.18Å; M1-L102 HydrophobicContact SD-CD2 4.42Å; M1-L107 HydrophobicContact CB-CD1 4.4Å; M1-L107 HydrophobicContact SD-CD1 3.89Å
2	E	75.4	Confident	87.2	Confident	137 Å²	137	82.6 Å²	82.6	64%	0.64	42%	0.415	S	S	*	.			trans	-88.4	122.6	174.5	-68.5	-172.7	171.8	0	0	107.2	A4 E5	E2-A4 PolarHBondContact O-N 3.37Å; E2-E5 HydrophobicContact CB-CG 4.33Å; E2-E5 WeakPolarHBondContact O-CB 3.28Å; E2-E5 PolarHBondContact O-N 2.92Å
3	F	85.6	Confident	87.8	Confident	33 Å²	33	80.5 Å²	80.5	15%	0.145	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-53.8	-26	179.4	-66.6	-76.2	0	0	0	113	E5 L6 H34 L99 L102 L107 F112	F3-E5 PolarHBondContact O-N 3.2Å; F3-L6 PolarHBondContact O-N 2.79Å; F3-L6 VanDerWaalsContact O-N 3.08Å; F3-H34 AromaticContact CE1-NE2 3.99Å; F3-H34 AromaticContact CE2-CE1 3.74Å; F3-H34 AromaticContact CE2-NE2 3.98Å; F3-H34 AromaticContact CZ-CE1 3.7Å; F3-H34 AromaticContact CZ-NE2 3.45Å; F3-H34 WeakPolarHBondContact CZ-NE2 3.45Å; F3-L99 HydrophobicContact CD1-CD2 3.96Å; F3-L102 HydrophobicContact CE1-CD1 3.82Å; F3-L107 HydrophobicContact CE1-CB 4.28Å; F3-L107 HydrophobicContact CZ-CB 3.98Å; F3-L107 HydrophobicContact CZ-CD2 4.24Å; F3-L107 WeakPolarHBondContact CZ-O 3.17Å; F3-F112 HydrophobicContact CE2-CE1 4.23Å; F3-F112 HydrophobicContact CE2-CE2 4.24Å; F3-F112 AromaticContact CE2-CZ 3.83Å; F3-F112 HydrophobicContact CE2-CZ 3.83Å; F3-F112 HydrophobicContact CZ-CE2 4.21Å; F3-F112 HydrophobicContact CZ-CZ 4.19Å
4	A	83.5	Confident	88.2	Confident	71 Å²	71	81.1 Å²	81.1	59%	0.587	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-56.8	-33.4	175	0	0	0	0	0	113.2	E2 L6 I7	E2-A4 PolarHBondContact O-N 3.37Å; A4-L6 PolarHBondContact O-N 3.33Å; A4-I7 PolarHBondContact O-N 3.36Å
5	E	88	Confident	88.7	Confident	144 Å²	144	75.7 Å²	75.7	67%	0.673	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-67.8	-23.1	178.7	-62.4	176	151.2	0	0	112.5	E2 F3	E2-E5 HydrophobicContact CB-CG 4.33Å; E2-E5 WeakPolarHBondContact O-CB 3.28Å; E2-E5 PolarHBondContact O-N 2.92Å; F3-E5 PolarHBondContact O-N 3.2Å
6	L	90.7	Very high	89.1	Confident	43 Å²	43	73.3 Å²	73.3	23%	0.225	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-90.1	-11	179.6	-56.3	179.1	0	0	0	112.6	M1 F3 A4 S95 A98 L99 L102	M1-L6 HydrophobicContact SD-CD1 4.18Å; F3-L6 PolarHBondContact O-N 2.79Å; F3-L6 VanDerWaalsContact O-N 3.08Å; A4-L6 PolarHBondContact O-N 3.33Å; L6-S95 WeakPolarHBondContact O-CA 3.37Å; L6-S95 WeakPolarHBondContact O-CB 3.4Å; L6-S95 PolarHBondContact O-OG 3.43Å; L6-A98 HydrophobicContact CB-CB 4.35Å; L6-A98 HydrophobicContact CD2-CB 4.3Å; L6-L99 HydrophobicContact CB-CD2 3.95Å; L6-L99 HydrophobicContact CB-CG 4.26Å; L6-L99 HydrophobicContact CD1-CD2 3.77Å; L6-L102 HydrophobicContact CD1-CD2 3.83Å
7	I	94.8	Very high	89.5	Confident	28 Å²	28	69 Å²	69	14%	0.144	35%	0.352	C	S	.	.			trans	-104.6	102.8	-176.5	-61.3	167.6	0	0	0	109	A4 P10 L31 L99	A4-I7 PolarHBondContact O-N 3.36Å; I7-P10 HydrophobicContact CG2-CB 3.86Å; I7-L31 HydrophobicContact CG2-CB 4.12Å; I7-L99 HydrophobicContact CD1-CD1 4.36Å; I7-L99 HydrophobicContact CG1-CD1 3.84Å
8	K	94.5	Very high	89.8	Confident	125 Å²	125	68.9 Å²	68.9	54%	0.543	35%	0.35	S	S	.	.	S	Bend	trans	-76	-41.6	-180	-68.1	177.7	177.3	172.7	0	112.6	N91 S94 S95	K8-N91 HydrophobicContact CB-CB 3.75Å; K8-N91 HydrophobicContact CD-CB 4.45Å; K8-S94 PolarHBondContact NZ-OG 3.18Å; K8-S95 PolarHBondContact N-OG 3.2Å
9	T	93.4	Very high	89.9	Confident	23 Å²	23	67.1 Å²	67.1	14%	0.141	34%	0.338	C	S	.	.			trans	-128.4	106.1	176.7	-59.7	0	0	0	0	108.1	V12 N91 I92	T9-V12 HydrophobicContact CG2-CG2 3.53Å; T9-N91 WeakPolarHBondContact OG1-CB 3.5Å; T9-N91 PolarHBondContact OG1-ND2 3.03Å; T9-I92 HydrophobicContact CG2-CD1 4.31Å; T9-I92 WeakPolarHBondContact O-CD1 3.31Å
10	P	93.3	Very high	89.8	Confident	81 Å²	81	65.4 Å²	65.4	53%	0.526	33%	0.331	S	S	.	.	S	Bend	trans	-78.1	-24.1	-173.9	29.5	-34.9	0	0	0	113.2	I7 C30 L31	I7-P10 HydrophobicContact CG2-CB 3.86Å; P10-C30 WeakPolarHBondContact O-CA 3.33Å; P10-L31 PolarHBondContact O-N 3.16Å
11	R	95.3	Very high	89.7	Confident	143 Å²	143	67.4 Å²	67.4	54%	0.54	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	135.8	-175	-179.5	178.8	168	170.1	1.9	111.3	D13 T28 L29	R11-D13 IonicContact CZ-OD1 3.52Å; R11-D13 IonicContact NE-OD1 3.53Å; R11-D13 PolarHBondContact NE-OD1 3Å; R11-D13 IonicContact NH2-OD1 3.46Å; R11-D13 PolarHBondContact NH2-OD1 2.91Å; R11-D13 IonicContact NH2-OD2 3.9Å; R11-T28 HydrophobicContact CG-CG2 3.68Å; R11-T28 VanDerWaalsContact NE-CG2 3.32Å; R11-L29 CarbonylContact C-O 3.53Å; R11-L29 VanDerWaalsContact CA-O 3.28Å; R11-L29 WeakPolarHBondContact CA-O 3.41Å
12	V	95.3	Very high	91.2	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.067	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	126.5	171.5	-173.1	0	0	0	0	109	T9 V15 T28 L29 I83 P84 E88 I92	T9-V12 HydrophobicContact CG2-CG2 3.53Å; V12-V15 HydrophobicContact CB-CG2 3.92Å; V12-V15 HydrophobicContact CG1-CG2 3.79Å; V12-T28 WeakPolarHBondContact O-CA 3.47Å; V12-L29 PolarHBondContact N-O 2.64Å; V12-L29 PolarHBondContact O-N 3.19Å; V12-I83 HydrophobicContact CG1-CG2 4.15Å; V12-P84 HydrophobicContact CG1-CG 4.09Å; V12-E88 HydrophobicContact CG2-CB 4.28Å; V12-I92 HydrophobicContact CG2-CD1 3.95Å; V12-I92 HydrophobicContact CG2-CG1 4.05Å
13	D	94.7	Very high	91.9	Very high	55 Å²	55	63.9 Å²	63.9	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	162.6	174.9	-68	-22.5	0	0	0	110.7	R11 V15 T28 R41 P84	R11-D13 IonicContact CZ-OD1 3.52Å; R11-D13 IonicContact NE-OD1 3.53Å; R11-D13 PolarHBondContact NE-OD1 3Å; R11-D13 IonicContact NH2-OD1 3.46Å; R11-D13 PolarHBondContact NH2-OD1 2.91Å; R11-D13 IonicContact NH2-OD2 3.9Å; D13-V15 VanDerWaalsContact C-N 3.29Å; D13-V15 PolarHBondContact O-N 2.71Å; D13-T28 WeakPolarHBondContact OD1-CG2 3.45Å; D13-T28 PolarHBondContact OD1-OG1 2.7Å; D13-R41 IonicContact OD1-NH2 2.75Å; D13-R41 IonicContact OD2-NH2 3.92Å; D13-R41 PolarHBondContact OD2-NH2 3.13Å; D13-P84 WeakPolarHBondContact O-CG 3.47Å
14	N	93.9	Very high	92.2	Very high	90 Å²	90	65 Å²	65	48%	0.481	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.6	34.5	177.1	-42.5	-40	0	0	0	113.7	G27	N14-G27 PolarHBondContact N-O 3.46Å; N14-G27 VanDerWaalsContact N-O 3.08Å
15	V	95.3	Very high	92.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.1	172	175.8	0	0	0	0	108.6	V12 D13 E26 G27 L29 L38 L81 D82 I83	V12-V15 HydrophobicContact CB-CG2 3.92Å; V12-V15 HydrophobicContact CG1-CG2 3.79Å; D13-V15 VanDerWaalsContact C-N 3.29Å; D13-V15 PolarHBondContact O-N 2.71Å; V15-E26 CarbonylContact O-C 3.59Å; V15-E26 WeakPolarHBondContact O-CA 3.43Å; V15-G27 PolarHBondContact N-O 3.11Å; V15-G27 PolarHBondContact O-N 3.23Å; V15-L29 HydrophobicContact CB-CB 4.05Å; V15-L29 HydrophobicContact CG1-CB 4.24Å; V15-L29 HydrophobicContact CG1-CD2 4.46Å; V15-L29 HydrophobicContact CG2-CB 3.71Å; V15-L29 HydrophobicContact CG2-CD2 4.39Å; V15-L38 HydrophobicContact CB-CD1 4.06Å; V15-L38 HydrophobicContact CG1-CD1 3.72Å; V15-L81 HydrophobicContact CG1-CB 4.23Å; V15-L81 HydrophobicContact CG1-CD2 4.18Å; V15-D82 WeakPolarHBondContact CA-O 3.37Å; V15-D82 WeakPolarHBondContact CG1-O 3.15Å; V15-I83 HydrophobicContact CG1-CG1 4.3Å; V15-I83 HydrophobicContact CG2-CG1 4.39Å
16	V	95.1	Very high	92.9	Very high	37 Å²	37	60.6 Å²	60.6	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.6	176.7	-173.6	0	0	0	0	109.8	A24 V25 E26 L81 D82	V16-A24 HydrophobicContact CG1-CB 3.99Å; V16-V25 WeakPolarHBondContact CA-O 3.42Å; V16-E26 HydrophobicContact CG2-CB 4.38Å; V16-E26 HydrophobicContact CG2-CG 4.26Å; V16-L81 WeakPolarHBondContact O-CA 3.47Å; V16-D82 HydrophobicContact CB-CB 4.22Å; V16-D82 PolarHBondContact N-O 3.27Å; V16-D82 PolarHBondContact O-N 3.44Å
17	L	95.4	Very high	93.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.6	175.7	170.8	63.1	0	0	0	110.5	R19 A24 V25 L38 L48 I79 Q80 L81	L17-R19 HydrophobicContact CD1-CG 3.84Å; L17-R19 HydrophobicContact CD2-CG 4.08Å; L17-R19 HydrophobicContact CG-CG 3.87Å; L17-A24 VanDerWaalsContact O-CA 3.31Å; L17-A24 WeakPolarHBondContact O-CA 3.36Å; L17-V25 HydrophobicContact CB-CB 4.48Å; L17-V25 PolarHBondContact N-O 3.36Å; L17-V25 PolarHBondContact O-N 3.38Å; L17-L38 HydrophobicContact CB-CD1 3.91Å; L17-L38 HydrophobicContact CB-CD2 4.07Å; L17-L38 HydrophobicContact CD2-CD2 4.11Å; L17-L48 HydrophobicContact CD1-CD2 3.97Å; L17-L48 HydrophobicContact CD2-CB 3.76Å; L17-L48 HydrophobicContact CD2-CD2 4Å; L17-L48 HydrophobicContact CD2-CG 4.38Å; L17-I79 HydrophobicContact CD1-CB 4.27Å; L17-Q80 WeakPolarHBondContact CA-O 3.45Å; L17-L81 HydrophobicContact CB-CD2 4.18Å; L17-L81 HydrophobicContact CD1-CD2 3.67Å
18	H	95	Very high	93.1	Very high	68 Å²	68	58.2 Å²	58.2	32%	0.315	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	167.5	-50.3	-99.6	0	0	0	110.1	Q80 D82	H18-Q80 HydrophobicContact CB-CB 4.17Å; H18-Q80 PolarHBondContact N-O 2.95Å; H18-Q80 PolarHBondContact O-N 3.12Å; H18-D82 IonicContact CD2-OD2 3.2Å; H18-D82 PolarHBondContact CD2-OD2 2.75Å; H18-D82 IonicContact CE1-OD2 3.29Å; H18-D82 IonicContact NE2-OD2 2.77Å; H18-D82 PolarHBondContact NE2-OD2 2.86Å
19	R	91.4	Very high	93.2	Very high	34 Å²	34	52.3 Å²	52.3	13%	0.128	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	150.6	-179.9	-69.5	177.8	-74.1	165.3	-5.1	109.8	L17 F21 Y22 E46 I79	L17-R19 HydrophobicContact CD1-CG 3.84Å; L17-R19 HydrophobicContact CD2-CG 4.08Å; L17-R19 HydrophobicContact CG-CG 3.87Å; R19-F21 PolarHBondContact O-N 3.27Å; R19-Y22 HydrophobicContact CB-CD2 4.36Å; R19-Y22 PolarHBondContact O-N 3.48Å; R19-E46 IonicContact CZ-OE2 3.7Å; R19-E46 IonicContact NH1-OE2 3.35Å; R19-E46 PolarHBondContact NH1-OE2 3.03Å; R19-I79 HydrophobicContact CG-CG2 4.07Å
20	P	88.3	Confident	93.3	Very high	32 Å²	32	53.4 Å²	53.4	21%	0.208	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.8	173.9	-22.1	32.8	0	0	0	111.4	Y22 I78 W501	P20-Y22 WeakPolarHBondContact O-CD2 3.4Å; P20-Y22 PolarHBondContact O-N 3.05Å; P20-Y22 VanDerWaalsContact O-N 3.11Å; P20-I78 WeakPolarHBondContact CD-O 3.46Å; P20-W501 WeakPolarHBondContact CB-O 3.35Å; P20-W501 HydrophobicContact CG-CB 4.39Å
21	F	88.4	Confident	93.4	Very high	109 Å²	109	50 Å²	50	48%	0.478	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	-1.6	178	-41.1	-59.2	0	0	0	117.8	R19 W501 R503	R19-F21 PolarHBondContact O-N 3.27Å; F21-W501 VanDerWaalsContact CE2-C 3.47Å; F21-W501 WeakPolarHBondContact CE2-O 3.28Å; F21-W501 WeakPolarHBondContact CZ-O 3.44Å; F21-R503 VanDerWaalsContact CZ-C 3.44Å
22	Y	87.8	Confident	93.4	Very high	115 Å²	115	45.8 Å²	45.8	45%	0.451	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.8	176.7	-67.9	-92.2	0	0	0	111	R19 P20 E46	R19-Y22 HydrophobicContact CB-CD2 4.36Å; R19-Y22 PolarHBondContact O-N 3.48Å; P20-Y22 WeakPolarHBondContact O-CD2 3.4Å; P20-Y22 PolarHBondContact O-N 3.05Å; P20-Y22 VanDerWaalsContact O-N 3.11Å; Y22-E46 WeakPolarHBondContact CE1-OE2 3.48Å
23	P	89.8	Confident	93.3	Very high	99 Å²	99	45.9 Å²	45.9	64%	0.643	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	154.2	171.3	28.3	-34.5	0	0	0	110.8	V25	P23-V25 PolarHBondContact O-N 3.3Å
24	A	92.6	Very high	93.3	Very high	58 Å²	58	44.4 Å²	44.4	48%	0.479	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	136.1	174.5	0	0	0	0	0	110.3	V16 L17	V16-A24 HydrophobicContact CG1-CB 3.99Å; L17-A24 VanDerWaalsContact O-CA 3.31Å; L17-A24 WeakPolarHBondContact O-CA 3.36Å
25	V	92.5	Very high	93.5	Very high	11 Å²	11	41 Å²	41	7%	0.067	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	117.2	-178.3	-179.7	0	0	0	0	109.1	V16 L17 P23 L38	V16-V25 WeakPolarHBondContact CA-O 3.42Å; L17-V25 HydrophobicContact CB-CB 4.48Å; L17-V25 PolarHBondContact N-O 3.36Å; L17-V25 PolarHBondContact O-N 3.38Å; P23-V25 PolarHBondContact O-N 3.3Å; V25-L38 HydrophobicContact CG1-CD2 4.08Å
26	E	93.6	Very high	93.5	Very high	111 Å²	111	41 Å²	41	52%	0.519	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	134.7	169.3	-171	-179.5	166.8	0	0	109.9	V15 V16 S40	V15-E26 CarbonylContact O-C 3.59Å; V15-E26 WeakPolarHBondContact O-CA 3.43Å; V16-E26 HydrophobicContact CG2-CB 4.38Å; V16-E26 HydrophobicContact CG2-CG 4.26Å; E26-S40 WeakPolarHBondContact O-CB 3.3Å; E26-S40 PolarHBondContact O-OG 3.21Å
27	G	93.9	Very high	93.6	Very high	5 Å²	5	40.4 Å²	40.4	5%	0.052	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-167.5	-176.3	0	0	0	0	0	114.5	N14 V15 S39	N14-G27 PolarHBondContact N-O 3.46Å; N14-G27 VanDerWaalsContact N-O 3.08Å; V15-G27 PolarHBondContact N-O 3.11Å; V15-G27 PolarHBondContact O-N 3.23Å; G27-S39 CarbonylContact C-O 3.5Å; G27-S39 VanDerWaalsContact CA-O 3.25Å; G27-S39 WeakPolarHBondContact CA-O 3.46Å
28	T	95.3	Very high	93.6	Very high	16 Å²	16	40.4 Å²	40.4	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.6	174.7	-56.5	0	0	0	0	108.9	R11 V12 D13 L38 S39	R11-T28 HydrophobicContact CG-CG2 3.68Å; R11-T28 VanDerWaalsContact NE-CG2 3.32Å; V12-T28 WeakPolarHBondContact O-CA 3.47Å; D13-T28 WeakPolarHBondContact OD1-CG2 3.45Å; D13-T28 PolarHBondContact OD1-OG1 2.7Å; T28-L38 WeakPolarHBondContact O-CA 3.46Å; T28-S39 PolarHBondContact N-O 2.71Å; T28-S39 PolarHBondContact O-N 3.19Å; T28-S39 VanDerWaalsContact O-N 3.09Å
29	L	96.2	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.3	173.3	-175.6	70.8	0	0	0	109.6	R11 V12 V15 L31 L36 I37 L38 L81 I83 I92	R11-L29 CarbonylContact C-O 3.53Å; R11-L29 VanDerWaalsContact CA-O 3.28Å; R11-L29 WeakPolarHBondContact CA-O 3.41Å; V12-L29 PolarHBondContact N-O 2.64Å; V12-L29 PolarHBondContact O-N 3.19Å; V15-L29 HydrophobicContact CB-CB 4.05Å; V15-L29 HydrophobicContact CG1-CB 4.24Å; V15-L29 HydrophobicContact CG1-CD2 4.46Å; V15-L29 HydrophobicContact CG2-CB 3.71Å; V15-L29 HydrophobicContact CG2-CD2 4.39Å; L29-L31 HydrophobicContact CD2-CD1 4.07Å; L29-L31 HydrophobicContact CG-CD1 3.98Å; L29-L36 HydrophobicContact CD1-CD1 4.16Å; L29-L36 HydrophobicContact CD1-CD2 3.71Å; L29-L36 HydrophobicContact CD1-CG 3.72Å; L29-I37 CarbonylContact C-O 3.58Å; L29-I37 WeakPolarHBondContact CA-O 3.46Å; L29-L38 HydrophobicContact CD1-CB 4.25Å; L29-L38 HydrophobicContact CD1-CD1 4.36Å; L29-L81 HydrophobicContact CD1-CD1 4.13Å; L29-L81 HydrophobicContact CD2-CD1 4.16Å; L29-I83 HydrophobicContact CD2-CD1 4.36Å; L29-I92 HydrophobicContact CD2-CD1 4.22Å; L29-I92 HydrophobicContact CD2-CG2 3.97Å
30	C	96	Very high	93.2	Very high	46 Å²	46	38.5 Å²	38.5	31%	0.311	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	130	177	-69.2	0	0	0	0	109.9	P10 I37	P10-C30 WeakPolarHBondContact O-CA 3.33Å; C30-I37 HydrophobicContact CB-CB 4.47Å; C30-I37 PolarHBondContact N-O 3.32Å; C30-I37 PolarHBondContact O-N 3.29Å
31	L	95.8	Very high	92.5	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.4	171.8	-82.1	68.7	0	0	0	109.3	I7 P10 L29 I92 I96	I7-L31 HydrophobicContact CG2-CB 4.12Å; P10-L31 PolarHBondContact O-N 3.16Å; L29-L31 HydrophobicContact CD2-CD1 4.07Å; L29-L31 HydrophobicContact CG-CD1 3.98Å; L31-I92 HydrophobicContact CD1-CD1 3.44Å; L31-I92 VanDerWaalsContact CD1-CD1 3.44Å; L31-I92 HydrophobicContact CD1-CG2 4.23Å; L31-I92 HydrophobicContact CD2-CD1 4.08Å; L31-I92 HydrophobicContact CD2-CG2 4.38Å; L31-I92 HydrophobicContact CG-CD1 4.37Å; L31-I96 HydrophobicContact CD2-CG1 4.31Å
32	T	94.6	Very high	91.8	Very high	54 Å²	54	47 Å²	47	33%	0.331	25%	0.249	S	C	.	.			trans	-112.6	177.3	169.9	70.1	0	0	0	0	109.2	H34 H35 I37 H52	T32-H34 PolarHBondContact O-N 3.22Å; T32-H34 VanDerWaalsContact O-N 3.16Å; T32-H34 PolarHBondContact OG1-N 2.95Å; T32-H35 PolarHBondContact N-O 2.85Å; T32-H35 WeakPolarHBondContact OG1-CA 3.44Å; T32-H35 WeakPolarHBondContact OG1-CB 3.31Å; T32-H35 PolarHBondContact OG1-N 2.86Å; T32-H35 PolarHBondContact OG1-O 3.42Å; T32-I37 HydrophobicContact CG2-CD1 4.2Å; T32-H52 PolarHBondContact O-NE2 3.37Å
33	G	94.1	Very high	90.6	Very high	13 Å²	13	49 Å²	49	13%	0.134	27%	0.267	C	S	.	.	S	Bend	trans	-61.1	-22.2	177.1	0	0	0	0	0	114.4
34	H	95.4	Very high	89.3	Confident	25 Å²	25	52.5 Å²	52.5	12%	0.116	28%	0.281	C	S	.	.	S	Bend	trans	-126.4	-22.5	-175	-60.2	103.7	0	0	0	114.5	F3 T32 L51 H52 L107 Y109 F112	F3-H34 AromaticContact CE1-NE2 3.99Å; F3-H34 AromaticContact CE2-CE1 3.74Å; F3-H34 AromaticContact CE2-NE2 3.98Å; F3-H34 AromaticContact CZ-CE1 3.7Å; F3-H34 AromaticContact CZ-NE2 3.45Å; F3-H34 WeakPolarHBondContact CZ-NE2 3.45Å; T32-H34 PolarHBondContact O-N 3.22Å; T32-H34 VanDerWaalsContact O-N 3.16Å; T32-H34 PolarHBondContact OG1-N 2.95Å; H34-L51 WeakPolarHBondContact O-CA 3.41Å; H34-H52 PolarHBondContact O-CD2 3.12Å; H34-H52 PolarHBondContact O-N 3.4Å; H34-L107 PolarHBondContact NE2-O 3.03Å; H34-Y109 HydrophobicContact CB-CD2 3.71Å; H34-Y109 HydrophobicContact CB-CG 4.01Å; H34-Y109 VanDerWaalsContact CD2-CA 3.49Å; H34-Y109 WeakPolarHBondContact CD2-CA 3.17Å; H34-Y109 PolarHBondContact CD2-N 2.94Å; H34-Y109 AromaticContact CG-CD2 3.63Å; H34-Y109 AromaticContact ND1-CD2 3.82Å; H34-F112 AromaticContact CE1-CD2 3.35Å; H34-F112 WeakPolarHBondContact CE1-CD2 3.26Å; H34-F112 AromaticContact CE1-CE2 3.83Å; H34-F112 AromaticContact CE1-CG 3.54Å; H34-F112 AromaticContact NE2-CD2 3.47Å; H34-F112 WeakPolarHBondContact NE2-CD2 3.3Å; H34-F112 AromaticContact NE2-CE2 3.78Å
35	H	96.6	Very high	88.2	Confident	18 Å²	18	51.9 Å²	51.9	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.8	-174.5	-56.9	79.7	0	0	0	112.7	T32 I37 L50 L51 H52 Y109	T32-H35 PolarHBondContact N-O 2.85Å; T32-H35 WeakPolarHBondContact OG1-CA 3.44Å; T32-H35 WeakPolarHBondContact OG1-CB 3.31Å; T32-H35 PolarHBondContact OG1-N 2.86Å; T32-H35 PolarHBondContact OG1-O 3.42Å; H35-I37 HydrophobicContact CB-CD1 4.07Å; H35-I37 HydrophobicContact CB-CG1 3.72Å; H35-L50 CarbonylContact C-O 3.56Å; H35-L50 VanDerWaalsContact CA-O 3.27Å; H35-L50 WeakPolarHBondContact CA-O 3.44Å; H35-L51 WeakPolarHBondContact NE2-CD2 3.2Å; H35-H52 PolarHBondContact O-CE1 3.19Å; H35-H52 PolarHBondContact O-NE2 3.45Å; H35-Y109 AromaticContact CE1-CD1 3.83Å; H35-Y109 AromaticContact CE1-CD2 3.84Å; H35-Y109 AromaticContact CE1-CE1 3.5Å; H35-Y109 AromaticContact CE1-CE2 3.56Å; H35-Y109 AromaticContact CE1-CG 3.98Å; H35-Y109 AromaticContact CE1-CZ 3.36Å; H35-Y109 AromaticContact NE2-CE1 3.69Å; H35-Y109 AromaticContact NE2-CZ 3.96Å
36	L	96.4	Very high	87.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.2	154.4	-178.8	142.8	0	0	0	107.7	L29 L48 L50 H52 I71 L81 I96	L29-L36 HydrophobicContact CD1-CD1 4.16Å; L29-L36 HydrophobicContact CD1-CD2 3.71Å; L29-L36 HydrophobicContact CD1-CG 3.72Å; L36-L48 HydrophobicContact CD2-CD2 3.62Å; L36-L48 HydrophobicContact CD2-CG 4.44Å; L36-L50 HydrophobicContact CB-CB 4.39Å; L36-L50 HydrophobicContact CD2-CB 4.45Å; L36-L50 PolarHBondContact N-O 3.27Å; L36-L50 PolarHBondContact O-N 2.85Å; L36-H52 PolarHBondContact N-CE1 3.49Å; L36-I71 HydrophobicContact CD1-CD1 3.98Å; L36-L81 HydrophobicContact CD1-CD1 4.02Å; L36-L81 HydrophobicContact CD2-CD1 4.19Å; L36-I96 HydrophobicContact CD1-CD1 3.57Å; L36-I96 HydrophobicContact CD1-CG1 4.05Å
37	I	96.2	Very high	86.8	Confident	25 Å²	25	55.1 Å²	55.1	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131	-176.1	-56.5	173.4	0	0	0	109	L29 C30 T32 H35 L48 W49	L29-I37 CarbonylContact C-O 3.58Å; L29-I37 WeakPolarHBondContact CA-O 3.46Å; C30-I37 HydrophobicContact CB-CB 4.47Å; C30-I37 PolarHBondContact N-O 3.32Å; C30-I37 PolarHBondContact O-N 3.29Å; T32-I37 HydrophobicContact CG2-CD1 4.2Å; H35-I37 HydrophobicContact CB-CD1 4.07Å; H35-I37 HydrophobicContact CB-CG1 3.72Å; I37-L48 CarbonylContact C-O 3.57Å; I37-L48 WeakPolarHBondContact CA-O 3.49Å; I37-W49 HydrophobicContact CD1-CD2 4.26Å; I37-W49 HydrophobicContact CD1-CE3 4.03Å; I37-W49 HydrophobicContact CD1-CH2 4.03Å; I37-W49 HydrophobicContact CD1-CZ2 4.25Å; I37-W49 HydrophobicContact CD1-CZ3 3.92Å; I37-W49 HydrophobicContact CG1-CD2 4.25Å; I37-W49 HydrophobicContact CG1-CE3 4.31Å
38	L	94.9	Very high	86.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.8	168.6	-173.4	143	0	0	0	109.5	V15 L17 V25 T28 L29 E47 L48 L81	V15-L38 HydrophobicContact CB-CD1 4.06Å; V15-L38 HydrophobicContact CG1-CD1 3.72Å; L17-L38 HydrophobicContact CB-CD1 3.91Å; L17-L38 HydrophobicContact CB-CD2 4.07Å; L17-L38 HydrophobicContact CD2-CD2 4.11Å; V25-L38 HydrophobicContact CG1-CD2 4.08Å; T28-L38 WeakPolarHBondContact O-CA 3.46Å; L29-L38 HydrophobicContact CD1-CB 4.25Å; L29-L38 HydrophobicContact CD1-CD1 4.36Å; L38-E47 CarbonylContact O-C 3.54Å; L38-E47 WeakPolarHBondContact O-CA 3.38Å; L38-L48 HydrophobicContact CB-CB 3.99Å; L38-L48 PolarHBondContact N-O 2.89Å; L38-L48 PolarHBondContact O-N 3.45Å; L38-L81 HydrophobicContact CD1-CD2 4.17Å
39	S	92.2	Very high	86.6	Confident	41 Å²	41	61.4 Å²	61.4	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.5	177.9	-176.9	0	0	0	0	109.4	G27 T28 E47	G27-S39 CarbonylContact C-O 3.5Å; G27-S39 VanDerWaalsContact CA-O 3.25Å; G27-S39 WeakPolarHBondContact CA-O 3.46Å; T28-S39 PolarHBondContact N-O 2.71Å; T28-S39 PolarHBondContact O-N 3.19Å; T28-S39 VanDerWaalsContact O-N 3.09Å; S39-E47 VanDerWaalsContact CB-OE1 3.31Å; S39-E47 WeakPolarHBondContact CB-OE1 3.45Å; S39-E47 PolarHBondContact OG-OE1 3.39Å
40	S	86.6	Confident	86.6	Confident	20 Å²	20	61.4 Å²	61.4	14%	0.14	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	160.1	175.9	-166.7	0	0	0	0	110.9	E26 Q42 T45	E26-S40 WeakPolarHBondContact O-CB 3.3Å; E26-S40 PolarHBondContact O-OG 3.21Å; S40-Q42 VanDerWaalsContact C-N 3.3Å; S40-Q42 PolarHBondContact OG-N 3.39Å; S40-T45 WeakPolarHBondContact CB-OG1 3.46Å
41	R	73.4	Confident	86.6	Confident	180 Å²	180	60.3 Å²	60.3	68%	0.679	30%	0.297	S	S	*	.	S	Bend	trans	-86.7	-1.5	173.4	-61.2	-176.2	-178.3	176.7	3.6	113	D13	D13-R41 IonicContact OD1-NH2 2.75Å; D13-R41 IonicContact OD2-NH2 3.92Å; D13-R41 PolarHBondContact OD2-NH2 3.13Å
42	Q	74.8	Confident	86.7	Confident	139 Å²	139	59.9 Å²	59.9	65%	0.65	30%	0.295	S	S	*	.	S	Bend	trans	-94.9	129.3	179.9	-63.5	-178.9	4.7	0	0	110.6	S40 T45	S40-Q42 VanDerWaalsContact C-N 3.3Å; S40-Q42 PolarHBondContact OG-N 3.39Å; Q42-T45 HydrophobicContact CB-CG2 3.89Å; Q42-T45 PolarHBondContact O-OG1 2.9Å
43	D	62	Low	86.6	Confident	157 Å²	157	59.1 Å²	59.1	84%	0.84	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	141.7	172.3	-67.7	-32.2	0	0	0	110.5
44	N	62.8	Low	86.8	Confident	174 Å²	174	59.3 Å²	59.3	93%	0.93	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	20.8	-179.6	-59.7	-24.1	0	0	0	117.4
45	T	69	Low	86.8	Confident	44 Å²	44	58.2 Å²	58.2	27%	0.27	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-98	133.9	170.5	53.5	0	0	0	0	111.2	S40 Q42 E47	S40-T45 WeakPolarHBondContact CB-OG1 3.46Å; Q42-T45 HydrophobicContact CB-CG2 3.89Å; Q42-T45 PolarHBondContact O-OG1 2.9Å; T45-E47 PolarHBondContact O-N 3.35Å
46	E	70.5	Confident	86.7	Confident	101 Å²	101	57.9 Å²	57.9	47%	0.472	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-64.5	125.1	178	-76	-176.7	170	0	0	111.6	R19 Y22	R19-E46 IonicContact CZ-OE2 3.7Å; R19-E46 IonicContact NH1-OE2 3.35Å; R19-E46 PolarHBondContact NH1-OE2 3.03Å; Y22-E46 WeakPolarHBondContact CE1-OE2 3.48Å
47	E	85.3	Confident	86.7	Confident	89 Å²	89	58.5 Å²	58.5	42%	0.416	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-70.8	144	169.5	-58.4	-168.5	148	0	0	111.2	L38 S39 T45 W49	L38-E47 CarbonylContact O-C 3.54Å; L38-E47 WeakPolarHBondContact O-CA 3.38Å; S39-E47 VanDerWaalsContact CB-OE1 3.31Å; S39-E47 WeakPolarHBondContact CB-OE1 3.45Å; S39-E47 PolarHBondContact OG-OE1 3.39Å; T45-E47 PolarHBondContact O-N 3.35Å; E47-W49 PolarHBondContact OE2-NE1 2.83Å
48	L	91.4	Very high	86.7	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.026	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125	166.9	177.2	65.3	0	0	0	109.1	L17 L36 I37 L38 L50 I79	L17-L48 HydrophobicContact CD1-CD2 3.97Å; L17-L48 HydrophobicContact CD2-CB 3.76Å; L17-L48 HydrophobicContact CD2-CD2 4Å; L17-L48 HydrophobicContact CD2-CG 4.38Å; L36-L48 HydrophobicContact CD2-CD2 3.62Å; L36-L48 HydrophobicContact CD2-CG 4.44Å; I37-L48 CarbonylContact C-O 3.57Å; I37-L48 WeakPolarHBondContact CA-O 3.49Å; L38-L48 HydrophobicContact CB-CB 3.99Å; L38-L48 PolarHBondContact N-O 2.89Å; L38-L48 PolarHBondContact O-N 3.45Å; L48-L50 HydrophobicContact CD1-CB 4.32Å; L48-L50 HydrophobicContact CG-CB 4.37Å; L48-I79 HydrophobicContact CD1-CD1 4.46Å; L48-I79 HydrophobicContact CD2-CD1 3.77Å
49	W	94.1	Very high	86.7	Confident	148 Å²	148	60.7 Å²	60.7	56%	0.561	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	107.6	166.3	-73.7	65.6	0	0	0	108.6	I37 E47	I37-W49 HydrophobicContact CD1-CD2 4.26Å; I37-W49 HydrophobicContact CD1-CE3 4.03Å; I37-W49 HydrophobicContact CD1-CH2 4.03Å; I37-W49 HydrophobicContact CD1-CZ2 4.25Å; I37-W49 HydrophobicContact CD1-CZ3 3.92Å; I37-W49 HydrophobicContact CG1-CD2 4.25Å; I37-W49 HydrophobicContact CG1-CE3 4.31Å; E47-W49 PolarHBondContact OE2-NE1 2.83Å
50	L	96.5	Very high	86.8	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.5	-177.9	174.1	60.9	0	0	0	110.5	H35 L36 L48 H52 N54 I55 I71 I79	H35-L50 CarbonylContact C-O 3.56Å; H35-L50 VanDerWaalsContact CA-O 3.27Å; H35-L50 WeakPolarHBondContact CA-O 3.44Å; L36-L50 HydrophobicContact CB-CB 4.39Å; L36-L50 HydrophobicContact CD2-CB 4.45Å; L36-L50 PolarHBondContact N-O 3.27Å; L36-L50 PolarHBondContact O-N 2.85Å; L48-L50 HydrophobicContact CD1-CB 4.32Å; L48-L50 HydrophobicContact CG-CB 4.37Å; L50-H52 PolarHBondContact O-N 2.77Å; L50-N54 HydrophobicContact CD1-CB 3.95Å; L50-I55 HydrophobicContact CD1-CG1 4.49Å; L50-I55 HydrophobicContact CD2-CD1 3.94Å; L50-I55 HydrophobicContact CD2-CG1 3.84Å; L50-I55 HydrophobicContact CG-CD1 4.35Å; L50-I55 HydrophobicContact CG-CG1 4.15Å; L50-I71 HydrophobicContact CD2-CD1 4.5Å; L50-I71 HydrophobicContact CD2-CG2 4.02Å; L50-I79 HydrophobicContact CD2-CD1 3.74Å
51	L	96.8	Very high	87.2	Confident	22 Å²	22	69.2 Å²	69.2	12%	0.115	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.4	170.1	-74.9	168.9	0	0	0	110.7	H34 H35 S53 N54 Y109 A431	H34-L51 WeakPolarHBondContact O-CA 3.41Å; H35-L51 WeakPolarHBondContact NE2-CD2 3.2Å; L51-S53 PolarHBondContact O-N 3.14Å; L51-N54 HydrophobicContact CB-CB 4.36Å; L51-N54 WeakPolarHBondContact O-CB 3.4Å; L51-N54 PolarHBondContact O-N 2.93Å; L51-Y109 HydrophobicContact CD2-CD1 3.59Å; L51-Y109 HydrophobicContact CD2-CE1 4.33Å; L51-Y109 HydrophobicContact CD2-CG 3.92Å; L51-A431 HydrophobicContact CD1-CB 4.36Å
52	H	96	Very high	88	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.009	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.2	-33.2	173.8	-63.1	-46.9	0	0	0	111.6	T32 H34 H35 L36 L50 N54 I55 L99 S100	T32-H52 PolarHBondContact O-NE2 3.37Å; H34-H52 PolarHBondContact O-CD2 3.12Å; H34-H52 PolarHBondContact O-N 3.4Å; H35-H52 PolarHBondContact O-CE1 3.19Å; H35-H52 PolarHBondContact O-NE2 3.45Å; L36-H52 PolarHBondContact N-CE1 3.49Å; L50-H52 PolarHBondContact O-N 2.77Å; H52-N54 PolarHBondContact O-N 3.45Å; H52-I55 WeakPolarHBondContact O-CB 3.19Å; H52-I55 PolarHBondContact O-N 3.42Å; H52-L99 HydrophobicContact CB-CB 4.05Å; H52-L99 WeakPolarHBondContact NE2-CD1 3.49Å; H52-S100 WeakPolarHBondContact O-CA 3.48Å; H52-S100 VanDerWaalsContact O-CB 3.23Å; H52-S100 WeakPolarHBondContact O-CB 3.46Å
53	S	94.6	Very high	88.6	Confident	38 Å²	38	63.1 Å²	63.1	27%	0.266	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-66.6	-17.8	176.7	62.9	0	0	0	0	114.1	L51 K74	L51-S53 PolarHBondContact O-N 3.14Å; S53-K74 WeakPolarHBondContact O-CD 3.38Å; S53-K74 WeakPolarHBondContact O-CE 3.2Å; S53-K74 PolarHBondContact O-NZ 2.88Å
54	N	96.5	Very high	89.8	Confident	16 Å²	16	59.2 Å²	59.2	9%	0.086	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-85.6	-11.9	174.2	-165.9	25.1	0	0	0	112.2	L50 L51 H52 D56 C73 K74 D75 A431	L50-N54 HydrophobicContact CD1-CB 3.95Å; L51-N54 HydrophobicContact CB-CB 4.36Å; L51-N54 WeakPolarHBondContact O-CB 3.4Å; L51-N54 PolarHBondContact O-N 2.93Å; H52-N54 PolarHBondContact O-N 3.45Å; N54-D56 PolarHBondContact O-N 3.42Å; N54-C73 CarbonylContact O-C 3.53Å; N54-C73 WeakPolarHBondContact O-CA 3.41Å; N54-K74 PolarHBondContact O-N 3.27Å; N54-K74 PolarHBondContact OD1-N 2.97Å; N54-D75 PolarHBondContact ND2-OD2 2.83Å; N54-A431 HydrophobicContact CB-CB 3.49Å; N54-A431 VanDerWaalsContact CB-CB 3.49Å
55	I	96.3	Very high	90.9	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.3	178	-59.7	175.3	0	0	0	108.3	L50 H52 I58 I71 I96	L50-I55 HydrophobicContact CD1-CG1 4.49Å; L50-I55 HydrophobicContact CD2-CD1 3.94Å; L50-I55 HydrophobicContact CD2-CG1 3.84Å; L50-I55 HydrophobicContact CG-CD1 4.35Å; L50-I55 HydrophobicContact CG-CG1 4.15Å; H52-I55 WeakPolarHBondContact O-CB 3.19Å; H52-I55 PolarHBondContact O-N 3.42Å; I55-I58 HydrophobicContact CG2-CG2 3.79Å; I55-I71 HydrophobicContact CB-CG2 4.35Å; I55-I71 HydrophobicContact CD1-CG2 4.04Å; I55-I71 HydrophobicContact CG1-CG2 3.78Å; I55-I71 HydrophobicContact CG2-CG2 3.84Å; I55-I96 HydrophobicContact CD1-CG2 3.57Å; I55-I96 HydrophobicContact CG2-CG2 4.08Å
56	D	94.9	Very high	91.9	Very high	12 Å²	12	57 Å²	57	6%	0.064	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	-42	-179	-154.4	34.2	0	0	0	110.7	N54 K72 K74 Q382 S383 A384 Y385 C386	N54-D56 PolarHBondContact O-N 3.42Å; D56-K72 WeakPolarHBondContact CB-O 3.35Å; D56-K72 PolarHBondContact N-O 3.08Å; D56-K74 HydrophobicContact CB-CG 3.71Å; D56-Q382 VanDerWaalsContact OD1-CA 3.31Å; D56-Q382 WeakPolarHBondContact OD1-CA 3.46Å; D56-S383 PolarHBondContact OD1-N 3.17Å; D56-S383 VanDerWaalsContact OD2-CA 3.32Å; D56-S383 WeakPolarHBondContact OD2-CA 3.32Å; D56-S383 WeakPolarHBondContact OD2-CB 3.45Å; D56-S383 PolarHBondContact OD2-N 3.21Å; D56-A384 PolarHBondContact OD2-N 3.07Å; D56-Y385 WeakPolarHBondContact OD2-CA 3.39Å; D56-Y385 PolarHBondContact OD2-N 3.04Å; D56-C386 PolarHBondContact OD2-N 3.15Å
57	A	95.5	Very high	93.1	Very high	12 Å²	12	52.2 Å²	52.2	10%	0.099	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	158.9	175.1	0	0	0	0	0	111.8	K72 Y385	A57-K72 HydrophobicContact CB-CB 4.4Å; A57-K72 PolarHBondContact N-O 3.07Å; A57-K72 VanDerWaalsContact N-O 3.1Å; A57-K72 PolarHBondContact O-N 3.09Å; A57-Y385 WeakPolarHBondContact CB-O 3.25Å
58	I	96	Very high	93.7	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.108	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.9	169.1	68.9	171.9	0	0	0	111	I55 I69 I70 I71 A93 I96 E97	I55-I58 HydrophobicContact CG2-CG2 3.79Å; I58-I69 HydrophobicContact CB-CG2 4.17Å; I58-I69 HydrophobicContact CD1-CG2 4.47Å; I58-I69 HydrophobicContact CG2-CG2 4.42Å; I58-I70 CarbonylContact C-O 3.6Å; I58-I70 VanDerWaalsContact CA-O 3.25Å; I58-I70 WeakPolarHBondContact CA-O 3.22Å; I58-I71 HydrophobicContact CG2-CB 4.47Å; I58-I71 HydrophobicContact CG2-CG1 4.13Å; I58-I71 HydrophobicContact CG2-CG2 4.37Å; I58-A93 HydrophobicContact CD1-CB 3.75Å; I58-A93 WeakPolarHBondContact CD1-O 3.44Å; I58-I96 HydrophobicContact CD1-CB 4.43Å; I58-I96 HydrophobicContact CD1-CG2 4.37Å; I58-I96 HydrophobicContact CG2-CG2 3.84Å; I58-E97 HydrophobicContact CD1-CG 3.65Å; I58-E97 HydrophobicContact CG1-CG 4.04Å
59	D	95.4	Very high	94	Very high	50 Å²	50	48.5 Å²	48.5	27%	0.267	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.1	169.7	-62.3	-52.5	0	0	0	109.7	I69 I70 K72	D59-I69 WeakPolarHBondContact O-CA 3.31Å; D59-I70 HydrophobicContact CB-CB 4.25Å; D59-I70 PolarHBondContact N-O 3.27Å; D59-I70 PolarHBondContact O-N 3.12Å; D59-K72 VanDerWaalsContact OD2-CE 3.27Å; D59-K72 WeakPolarHBondContact OD2-CE 3.33Å; D59-K72 IonicContact OD2-NZ 3.46Å; D59-K72 PolarHBondContact OD2-NZ 2.84Å
60	K	94.7	Very high	94.1	Very high	88 Å²	88	42.3 Å²	42.3	38%	0.383	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	134.7	-178.3	-66.1	165.1	-76.7	-143.9	0	110.1	F62 T68 A93 E97	K60-F62 HydrophobicContact CB-CE2 4.47Å; K60-T68 WeakPolarHBondContact CA-O 3.3Å; K60-A93 HydrophobicContact CD-CB 3.65Å; K60-A93 HydrophobicContact CG-CB 3.99Å; K60-E97 IonicContact NZ-OE1 2.91Å; K60-E97 PolarHBondContact NZ-OE1 2.88Å; K60-E97 IonicContact NZ-OE2 3.45Å
61	R	94.1	Very high	94.2	Very high	152 Å²	152	42.2 Å²	42.2	57%	0.574	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.8	174.1	-58.8	-178.7	-175.2	177.3	2.6	110.1	T68	R61-T68 PolarHBondContact N-O 2.88Å; R61-T68 PolarHBondContact O-N 2.8Å
62	F	91.1	Very high	94.2	Very high	79 Å²	79	43.4 Å²	43.4	35%	0.346	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.5	178.5	-63	-81.1	0	0	0	110.3	K60 M86 C89 L90	K60-F62 HydrophobicContact CB-CE2 4.47Å; F62-M86 HydrophobicContact CD1-CB 4.47Å; F62-M86 HydrophobicContact CD1-CG 3.97Å; F62-M86 HydrophobicContact CE1-CB 4.35Å; F62-M86 HydrophobicContact CE1-CG 3.73Å; F62-M86 HydrophobicContact CZ-CG 4.38Å; F62-C89 HydrophobicContact CE1-CB 3.98Å; F62-L90 HydrophobicContact CE1-CG 4.49Å; F62-L90 HydrophobicContact CE2-CD2 4.24Å; F62-L90 HydrophobicContact CZ-CD2 3.68Å; F62-L90 HydrophobicContact CZ-CG 3.88Å
63	V	88	Confident	94.2	Very high	112 Å²	112	43.3 Å²	43.3	68%	0.679	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.7	102.4	172.5	-176.9	0	0	0	0	107.7	S65 L66	V63-S65 PolarHBondContact O-N 3Å; V63-L66 PolarHBondContact N-O 3.48Å; V63-L66 PolarHBondContact O-N 2.82Å; V63-L66 VanDerWaalsContact O-N 3.13Å
64	G	87.1	Confident	94.3	Very high	76 Å²	76	42.1 Å²	42.1	78%	0.784	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.9	-123.4	-172.5	0	0	0	0	0	111.3
65	S	84.9	Confident	94.3	Very high	98 Å²	98	41.9 Å²	41.9	69%	0.685	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.4	177.2	58.5	0	0	0	0	114.2	V63 G85	V63-S65 PolarHBondContact O-N 3Å; S65-G85 WeakPolarHBondContact O-CA 3.45Å; S65-G85 PolarHBondContact O-N 3.07Å
66	L	91.3	Very high	94.3	Very high	73 Å²	73	42.1 Å²	42.1	38%	0.382	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	124.9	178.2	-170.9	72.9	0	0	0	109.6	V63 D82	V63-L66 PolarHBondContact N-O 3.48Å; V63-L66 PolarHBondContact O-N 2.82Å; V63-L66 VanDerWaalsContact O-N 3.13Å; L66-D82 HydrophobicContact CD1-CB 4.26Å; L66-D82 HydrophobicContact CD2-CB 4.35Å; L66-D82 HydrophobicContact CG-CB 4.5Å
67	G	95.3	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140	170.9	0	0	0	0	0	110.7	I83	G67-I83 PolarHBondContact N-O 3.23Å; G67-I83 PolarHBondContact O-N 2.78Å
68	T	97	Very high	94.4	Very high	17 Å²	17	45.7 Å²	45.7	10%	0.104	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.4	175.1	-62.9	0	0	0	0	109.3	K60 R61 I70 Q80 L81 D82	K60-T68 WeakPolarHBondContact CA-O 3.3Å; R61-T68 PolarHBondContact N-O 2.88Å; R61-T68 PolarHBondContact O-N 2.8Å; T68-I70 HydrophobicContact CG2-CG1 4.3Å; T68-Q80 HydrophobicContact CG2-CG 3.39Å; T68-L81 CarbonylContact C-O 3.55Å; T68-L81 WeakPolarHBondContact CA-O 3.25Å; T68-D82 WeakPolarHBondContact CG2-OD1 3.5Å; T68-D82 PolarHBondContact OG1-OD1 3.29Å
69	I	97.6	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.5	170.7	-55.1	-178.2	0	0	0	108.3	I58 D59 I71 Q80 L81 I83 I92 A93	I58-I69 HydrophobicContact CB-CG2 4.17Å; I58-I69 HydrophobicContact CD1-CG2 4.47Å; I58-I69 HydrophobicContact CG2-CG2 4.42Å; D59-I69 WeakPolarHBondContact O-CA 3.31Å; I69-I71 HydrophobicContact CG2-CD1 4.48Å; I69-I71 HydrophobicContact CG2-CG1 3.79Å; I69-Q80 WeakPolarHBondContact O-CA 3.44Å; I69-L81 PolarHBondContact N-O 2.87Å; I69-L81 PolarHBondContact O-N 3.47Å; I69-I83 HydrophobicContact CD1-CD1 3.42Å; I69-I83 VanDerWaalsContact CD1-CD1 3.42Å; I69-I83 HydrophobicContact CG1-CD1 3.9Å; I69-I92 HydrophobicContact CD1-CB 4.17Å; I69-I92 HydrophobicContact CD1-CG2 3.76Å; I69-A93 HydrophobicContact CD1-CB 3.81Å; I69-A93 HydrophobicContact CG1-CB 4.48Å
70	I	97.3	Very high	94.4	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.087	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	115.9	169.9	-57.9	173.1	0	0	0	106.9	I58 D59 T68 I78 I79 Q80	I58-I70 CarbonylContact C-O 3.6Å; I58-I70 VanDerWaalsContact CA-O 3.25Å; I58-I70 WeakPolarHBondContact CA-O 3.22Å; D59-I70 HydrophobicContact CB-CB 4.25Å; D59-I70 PolarHBondContact N-O 3.27Å; D59-I70 PolarHBondContact O-N 3.12Å; T68-I70 HydrophobicContact CG2-CG1 4.3Å; I70-I78 HydrophobicContact CG2-CG2 3.57Å; I70-I79 CarbonylContact C-O 3.53Å; I70-I79 WeakPolarHBondContact CA-O 3.28Å; I70-Q80 HydrophobicContact CG1-CG 4.46Å
71	I	97.3	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.6	179.5	-55.7	175	0	0	0	108.3	L36 L50 I55 I58 I69 I78 I79 L81 I96	L36-I71 HydrophobicContact CD1-CD1 3.98Å; L50-I71 HydrophobicContact CD2-CD1 4.5Å; L50-I71 HydrophobicContact CD2-CG2 4.02Å; I55-I71 HydrophobicContact CB-CG2 4.35Å; I55-I71 HydrophobicContact CD1-CG2 4.04Å; I55-I71 HydrophobicContact CG1-CG2 3.78Å; I55-I71 HydrophobicContact CG2-CG2 3.84Å; I58-I71 HydrophobicContact CG2-CB 4.47Å; I58-I71 HydrophobicContact CG2-CG1 4.13Å; I58-I71 HydrophobicContact CG2-CG2 4.37Å; I69-I71 HydrophobicContact CG2-CD1 4.48Å; I69-I71 HydrophobicContact CG2-CG1 3.79Å; I71-I78 WeakPolarHBondContact O-CA 3.29Å; I71-I79 HydrophobicContact CB-CD1 4.2Å; I71-I79 HydrophobicContact CB-CG1 3.66Å; I71-I79 HydrophobicContact CD1-CD1 4.11Å; I71-I79 HydrophobicContact CD1-CG1 4.31Å; I71-I79 HydrophobicContact CG1-CG1 4.35Å; I71-I79 HydrophobicContact CG2-CG1 4.31Å; I71-I79 PolarHBondContact N-O 2.96Å; I71-I79 PolarHBondContact O-N 2.82Å; I71-L81 HydrophobicContact CD1-CD1 3.65Å; I71-L81 HydrophobicContact CD1-CG 4.27Å; I71-I96 HydrophobicContact CD1-CD1 4.2Å
72	K	97.2	Very high	94.7	Very high	46 Å²	46	35 Å²	35	20%	0.2	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.9	177.5	-68	172.9	173.2	162.7	0	108.8	D56 A57 D59 I78 Y385	D56-K72 WeakPolarHBondContact CB-O 3.35Å; D56-K72 PolarHBondContact N-O 3.08Å; A57-K72 HydrophobicContact CB-CB 4.4Å; A57-K72 PolarHBondContact N-O 3.07Å; A57-K72 VanDerWaalsContact N-O 3.1Å; A57-K72 PolarHBondContact O-N 3.09Å; D59-K72 VanDerWaalsContact OD2-CE 3.27Å; D59-K72 WeakPolarHBondContact OD2-CE 3.33Å; D59-K72 IonicContact OD2-NZ 3.46Å; D59-K72 PolarHBondContact OD2-NZ 2.84Å; K72-I78 HydrophobicContact CG-CD1 4.49Å; K72-I78 HydrophobicContact CG-CG1 4.23Å; K72-I78 HydrophobicContact CG-CG2 4.43Å; K72-Y385 HydrophobicContact CB-CD1 4.3Å; K72-Y385 HydrophobicContact CB-CD2 3.58Å; K72-Y385 HydrophobicContact CB-CE2 4.08Å; K72-Y385 HydrophobicContact CB-CG 3.67Å; K72-Y385 HydrophobicContact CD-CD1 3.86Å; K72-Y385 HydrophobicContact CD-CE1 4.44Å; K72-Y385 HydrophobicContact CD-CG 3.95Å; K72-Y385 HydrophobicContact CG-CD1 4.36Å; K72-Y385 HydrophobicContact CG-CD2 4.39Å; K72-Y385 HydrophobicContact CG-CG 4.21Å
73	C	97.1	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	156.3	-171.4	-59.4	0	0	0	0	111.8	N54 D75 F76 R77 Y385	N54-C73 CarbonylContact O-C 3.53Å; N54-C73 WeakPolarHBondContact O-CA 3.41Å; C73-D75 WeakPolarHBondContact CB-OD1 3.39Å; C73-D75 PolarHBondContact O-N 3.33Å; C73-F76 PolarHBondContact O-N 2.77Å; C73-F76 VanDerWaalsContact O-N 3.07Å; C73-R77 HydrophobicContact CB-CB 4.16Å; C73-R77 WeakPolarHBondContact CB-O 3.46Å; C73-R77 PolarHBondContact N-O 3.25Å; C73-Y385 VanDerWaalsContact O-CD2 3.3Å; C73-Y385 WeakPolarHBondContact O-CD2 3.47Å; C73-Y385 WeakPolarHBondContact O-CE2 3.43Å
74	K	96.6	Very high	95.2	Very high	13 Å²	13	28.2 Å²	28.2	6%	0.057	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.4	-179.8	-66.3	174	178.8	178.9	0	112.9	S53 N54 D56 F76 A381 S383 Y430	S53-K74 WeakPolarHBondContact O-CD 3.38Å; S53-K74 WeakPolarHBondContact O-CE 3.2Å; S53-K74 PolarHBondContact O-NZ 2.88Å; N54-K74 PolarHBondContact O-N 3.27Å; N54-K74 PolarHBondContact OD1-N 2.97Å; D56-K74 HydrophobicContact CB-CG 3.71Å; K74-F76 PolarHBondContact O-N 3.43Å; K74-A381 VanDerWaalsContact CE-O 3.23Å; K74-A381 WeakPolarHBondContact CE-O 2.93Å; K74-A381 PolarHBondContact NZ-O 3.03Å; K74-S383 WeakPolarHBondContact O-CB 3.35Å; K74-S383 PolarHBondContact O-OG 3.12Å; K74-Y430 HydrophobicContact CB-CD1 3.99Å; K74-Y430 HydrophobicContact CB-CG 4.27Å; K74-Y430 HydrophobicContact CD-CD1 4.08Å; K74-Y430 HydrophobicContact CG-CD1 4.42Å
75	D	95.9	Very high	95.4	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.064	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	12.9	174.8	71.8	4.9	0	0	0	114	N54 C73 R77 F426 R500 W501	N54-D75 PolarHBondContact ND2-OD2 2.83Å; C73-D75 WeakPolarHBondContact CB-OD1 3.39Å; C73-D75 PolarHBondContact O-N 3.33Å; D75-R77 PolarHBondContact O-N 3.16Å; D75-R77 WeakPolarHBondContact OD1-CB 3.35Å; D75-R77 PolarHBondContact OD1-N 3.05Å; D75-F426 HydrophobicContact CB-CE1 4.38Å; D75-R500 PolarHBondContact O-NH2 3.4Å; D75-W501 PolarHBondContact O-NE1 3.37Å
76	F	96.8	Very high	95.7	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.026	13%	0.134	C	C	.	.	S	Bend	trans	72.6	-2.7	-178.7	-44.3	-46.1	0	0	0	116.3	C73 K74 L278 V282 S383 A384 Y385 L398 F426 I497 F498 W501	C73-F76 PolarHBondContact O-N 2.77Å; C73-F76 VanDerWaalsContact O-N 3.07Å; K74-F76 PolarHBondContact O-N 3.43Å; F76-L278 HydrophobicContact CE1-CD1 3.97Å; F76-L278 HydrophobicContact CE1-CD2 4.21Å; F76-L278 HydrophobicContact CE1-CG 4.43Å; F76-L278 HydrophobicContact CZ-CD1 3.74Å; F76-L278 HydrophobicContact CZ-CD2 4.38Å; F76-V282 HydrophobicContact CD1-CG1 4.36Å; F76-V282 HydrophobicContact CD1-CG2 3.68Å; F76-V282 HydrophobicContact CE1-CG2 3.78Å; F76-V282 HydrophobicContact CG-CG2 4.17Å; F76-V282 HydrophobicContact CZ-CG2 4.33Å; F76-S383 WeakPolarHBondContact CE1-OG 3.3Å; F76-A384 HydrophobicContact CD1-CB 4.05Å; F76-A384 HydrophobicContact CE1-CB 3.87Å; F76-Y385 PolarHBondContact O-OH 3.43Å; F76-L398 HydrophobicContact CE2-CD2 4.31Å; F76-L398 HydrophobicContact CZ-CD2 3.88Å; F76-F426 HydrophobicContact CD2-CE1 4.47Å; F76-F426 HydrophobicContact CD2-CZ 4.2Å; F76-F426 HydrophobicContact CE1-CZ 4.41Å; F76-F426 HydrophobicContact CE2-CE1 4.1Å; F76-F426 HydrophobicContact CE2-CE2 4.29Å; F76-F426 AromaticContact CE2-CZ 3.55Å; F76-F426 HydrophobicContact CE2-CZ 3.55Å; F76-F426 HydrophobicContact CZ-CE2 4.12Å; F76-F426 AromaticContact CZ-CZ 3.67Å; F76-F426 HydrophobicContact CZ-CZ 3.67Å; F76-I497 HydrophobicContact CD2-CG2 4.05Å; F76-I497 HydrophobicContact CE2-CG2 3.6Å; F76-F498 HydrophobicContact CD2-CD1 4.33Å; F76-F498 AromaticContact CE2-CD1 3.96Å; F76-F498 HydrophobicContact CE2-CD1 3.96Å; F76-F498 AromaticContact CE2-CE1 3.81Å; F76-F498 HydrophobicContact CE2-CE1 3.81Å; F76-F498 HydrophobicContact CZ-CE1 4.1Å; F76-W501 VanDerWaalsContact C-CD1 3.5Å
77	R	94.7	Very high	95.8	Very high	43 Å²	43	28.8 Å²	28.8	16%	0.162	15%	0.146	C	C	.	.			trans	-69.7	137.7	-179.8	-168.1	173.1	55.7	-179	-4.8	111.2	C73 D75 I79 W501	C73-R77 HydrophobicContact CB-CB 4.16Å; C73-R77 WeakPolarHBondContact CB-O 3.46Å; C73-R77 PolarHBondContact N-O 3.25Å; D75-R77 PolarHBondContact O-N 3.16Å; D75-R77 WeakPolarHBondContact OD1-CB 3.35Å; D75-R77 PolarHBondContact OD1-N 3.05Å; R77-I79 HydrophobicContact CG-CG2 3.94Å; R77-W501 HydrophobicContact CB-CD2 4.07Å; R77-W501 HydrophobicContact CB-CG 4.28Å; R77-W501 HydrophobicContact CB-CZ2 4.1Å; R77-W501 HydrophobicContact CG-CD2 4Å; R77-W501 HydrophobicContact CG-CE3 4.25Å; R77-W501 HydrophobicContact CG-CG 4.44Å; R77-W501 HydrophobicContact CG-CZ2 4.29Å
78	I	96.1	Very high	95.8	Very high	56 Å²	56	32.3 Å²	32.3	29%	0.287	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.7	170.3	-54.4	-178.1	0	0	0	107.8	P20 I70 I71 K72 Y385	P20-I78 WeakPolarHBondContact CD-O 3.46Å; I70-I78 HydrophobicContact CG2-CG2 3.57Å; I71-I78 WeakPolarHBondContact O-CA 3.29Å; K72-I78 HydrophobicContact CG-CD1 4.49Å; K72-I78 HydrophobicContact CG-CG1 4.23Å; K72-I78 HydrophobicContact CG-CG2 4.43Å; I78-Y385 HydrophobicContact CD1-CE1 4.27Å; I78-Y385 HydrophobicContact CG1-CE2 4.43Å
79	I	96.2	Very high	95.7	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.5	174.9	64.9	176.4	0	0	0	109.7	L17 R19 L48 L50 I70 I71 R77	L17-I79 HydrophobicContact CD1-CB 4.27Å; R19-I79 HydrophobicContact CG-CG2 4.07Å; L48-I79 HydrophobicContact CD1-CD1 4.46Å; L48-I79 HydrophobicContact CD2-CD1 3.77Å; L50-I79 HydrophobicContact CD2-CD1 3.74Å; I70-I79 CarbonylContact C-O 3.53Å; I70-I79 WeakPolarHBondContact CA-O 3.28Å; I71-I79 HydrophobicContact CB-CD1 4.2Å; I71-I79 HydrophobicContact CB-CG1 3.66Å; I71-I79 HydrophobicContact CD1-CD1 4.11Å; I71-I79 HydrophobicContact CD1-CG1 4.31Å; I71-I79 HydrophobicContact CG1-CG1 4.35Å; I71-I79 HydrophobicContact CG2-CG1 4.31Å; I71-I79 PolarHBondContact N-O 2.96Å; I71-I79 PolarHBondContact O-N 2.82Å; R77-I79 HydrophobicContact CG-CG2 3.94Å
80	Q	97.1	Very high	95.6	Very high	63 Å²	63	34.9 Å²	34.9	29%	0.294	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.7	177	-179.4	-176.5	-50.3	0	0	109.7	L17 H18 T68 I69 I70 D82	L17-Q80 WeakPolarHBondContact CA-O 3.45Å; H18-Q80 HydrophobicContact CB-CB 4.17Å; H18-Q80 PolarHBondContact N-O 2.95Å; H18-Q80 PolarHBondContact O-N 3.12Å; T68-Q80 HydrophobicContact CG2-CG 3.39Å; I69-Q80 WeakPolarHBondContact O-CA 3.44Å; I70-Q80 HydrophobicContact CG1-CG 4.46Å; Q80-D82 PolarHBondContact NE2-OD1 3.01Å; Q80-D82 PolarHBondContact NE2-OD2 3.06Å
81	L	97.3	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120	171.4	-60.2	176.6	0	0	0	108.7	V15 V16 L17 L29 L36 L38 T68 I69 I71 I83	V15-L81 HydrophobicContact CG1-CB 4.23Å; V15-L81 HydrophobicContact CG1-CD2 4.18Å; V16-L81 WeakPolarHBondContact O-CA 3.47Å; L17-L81 HydrophobicContact CB-CD2 4.18Å; L17-L81 HydrophobicContact CD1-CD2 3.67Å; L29-L81 HydrophobicContact CD1-CD1 4.13Å; L29-L81 HydrophobicContact CD2-CD1 4.16Å; L36-L81 HydrophobicContact CD1-CD1 4.02Å; L36-L81 HydrophobicContact CD2-CD1 4.19Å; L38-L81 HydrophobicContact CD1-CD2 4.17Å; T68-L81 CarbonylContact C-O 3.55Å; T68-L81 WeakPolarHBondContact CA-O 3.25Å; I69-L81 PolarHBondContact N-O 2.87Å; I69-L81 PolarHBondContact O-N 3.47Å; I71-L81 HydrophobicContact CD1-CD1 3.65Å; I71-L81 HydrophobicContact CD1-CG 4.27Å; L81-I83 HydrophobicContact CB-CG1 4.32Å
82	D	96.9	Very high	95.5	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.123	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	117.4	168.1	-60.3	-33	0	0	0	108.5	V15 V16 H18 L66 T68 Q80	V15-D82 WeakPolarHBondContact CA-O 3.37Å; V15-D82 WeakPolarHBondContact CG1-O 3.15Å; V16-D82 HydrophobicContact CB-CB 4.22Å; V16-D82 PolarHBondContact N-O 3.27Å; V16-D82 PolarHBondContact O-N 3.44Å; H18-D82 IonicContact CD2-OD2 3.2Å; H18-D82 PolarHBondContact CD2-OD2 2.75Å; H18-D82 IonicContact CE1-OD2 3.29Å; H18-D82 IonicContact NE2-OD2 2.77Å; H18-D82 PolarHBondContact NE2-OD2 2.86Å; L66-D82 HydrophobicContact CD1-CB 4.26Å; L66-D82 HydrophobicContact CD2-CB 4.35Å; L66-D82 HydrophobicContact CG-CB 4.5Å; T68-D82 WeakPolarHBondContact CG2-OD1 3.5Å; T68-D82 PolarHBondContact OG1-OD1 3.29Å; Q80-D82 PolarHBondContact NE2-OD1 3.01Å; Q80-D82 PolarHBondContact NE2-OD2 3.06Å
83	I	96.1	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.9	-171.9	-59.2	-179.9	0	0	0	108.7	V12 V15 L29 G67 I69 L81 G85 E88 C89 I92	V12-I83 HydrophobicContact CG1-CG2 4.15Å; V15-I83 HydrophobicContact CG1-CG1 4.3Å; V15-I83 HydrophobicContact CG2-CG1 4.39Å; L29-I83 HydrophobicContact CD2-CD1 4.36Å; G67-I83 PolarHBondContact N-O 3.23Å; G67-I83 PolarHBondContact O-N 2.78Å; I69-I83 HydrophobicContact CD1-CD1 3.42Å; I69-I83 VanDerWaalsContact CD1-CD1 3.42Å; I69-I83 HydrophobicContact CG1-CD1 3.9Å; L81-I83 HydrophobicContact CB-CG1 4.32Å; I83-G85 PolarHBondContact O-N 3.15Å; I83-E88 HydrophobicContact CG2-CB 3.97Å; I83-C89 HydrophobicContact CB-CB 4.14Å; I83-C89 HydrophobicContact CG2-CB 4.18Å; I83-I92 HydrophobicContact CD1-CB 4.04Å; I83-I92 HydrophobicContact CD1-CG1 4.3Å; I83-I92 HydrophobicContact CD1-CG2 3.87Å
84	P	94.2	Very high	95.4	Very high	48 Å²	48	35.3 Å²	35.3	31%	0.312	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	125	174.1	28.6	-32	0	0	0	109.6	V12 D13	V12-P84 HydrophobicContact CG1-CG 4.09Å; D13-P84 WeakPolarHBondContact O-CG 3.47Å
85	G	91.2	Very high	95.4	Very high	20 Å²	20	34.7 Å²	34.7	21%	0.206	18%	0.181	C	C	.	.	S	Bend	trans	95.1	134.8	176.9	0	0	0	0	0	113.8	S65 I83 E88 C89	S65-G85 WeakPolarHBondContact O-CA 3.45Å; S65-G85 PolarHBondContact O-N 3.07Å; I83-G85 PolarHBondContact O-N 3.15Å; G85-E88 VanDerWaalsContact CA-OE2 3.26Å; G85-E88 WeakPolarHBondContact CA-OE2 3.28Å; G85-C89 WeakPolarHBondContact O-CB 3.24Å; G85-C89 PolarHBondContact O-N 2.88Å
86	M	91.8	Very high	95.4	Very high	102 Å²	102	34.1 Å²	34.1	50%	0.502	18%	0.178	S	C	.	.	H	α-helix	trans	-70.6	-39.9	-178.2	-179.4	175.9	178.3	0	0	111.7	F62 L90	F62-M86 HydrophobicContact CD1-CB 4.47Å; F62-M86 HydrophobicContact CD1-CG 3.97Å; F62-M86 HydrophobicContact CE1-CB 4.35Å; F62-M86 HydrophobicContact CE1-CG 3.73Å; F62-M86 HydrophobicContact CZ-CG 4.38Å; M86-L90 HydrophobicContact CE-CD1 4.14Å; M86-L90 HydrophobicContact CG-CD1 4.2Å; M86-L90 VanDerWaalsContact O-CG 3.31Å; M86-L90 WeakPolarHBondContact O-CG 3.01Å; M86-L90 PolarHBondContact O-N 3.2Å; M86-L90 VanDerWaalsContact O-N 3.07Å
87	E	93.2	Very high	95.2	Very high	136 Å²	136	37.6 Å²	37.6	64%	0.636	19%	0.194	S	C	*	.	H	α-helix	trans	-67	-46	-179	-177.1	176.3	172.4	0	0	110.9	C89 L90 N91	E87-C89 PolarHBondContact O-N 3.27Å; E87-L90 PolarHBondContact O-N 3.34Å; E87-N91 WeakPolarHBondContact O-CB 3.43Å; E87-N91 VanDerWaalsContact O-CG 3.28Å; E87-N91 PolarHBondContact O-N 3.26Å
88	E	94.1	Very high	95.2	Very high	74 Å²	74	37.1 Å²	37.1	35%	0.346	20%	0.199	S	C	.	.	H	α-helix	trans	-58.7	-48.6	176.4	-66.5	80.1	178.3	0	0	110.6	V12 I83 G85 L90 N91 I92	V12-E88 HydrophobicContact CG2-CB 4.28Å; I83-E88 HydrophobicContact CG2-CB 3.97Å; G85-E88 VanDerWaalsContact CA-OE2 3.26Å; G85-E88 WeakPolarHBondContact CA-OE2 3.28Å; E88-L90 PolarHBondContact O-N 3.09Å; E88-N91 PolarHBondContact O-N 3.08Å; E88-I92 WeakPolarHBondContact O-CB 3.42Å; E88-I92 WeakPolarHBondContact O-CG1 3.3Å; E88-I92 PolarHBondContact O-N 3.29Å
89	C	95.6	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.7	-45.8	176.9	179.9	0	0	0	0	112.2	F62 I83 G85 E87 A93	F62-C89 HydrophobicContact CE1-CB 3.98Å; I83-C89 HydrophobicContact CB-CB 4.14Å; I83-C89 HydrophobicContact CG2-CB 4.18Å; G85-C89 WeakPolarHBondContact O-CB 3.24Å; G85-C89 PolarHBondContact O-N 2.88Å; E87-C89 PolarHBondContact O-N 3.27Å; C89-A93 VanDerWaalsContact O-CB 3.3Å; C89-A93 WeakPolarHBondContact O-CB 3.34Å; C89-A93 PolarHBondContact O-N 3.13Å
90	L	95.5	Very high	94.8	Very high	72 Å²	72	35.7 Å²	35.7	38%	0.377	19%	0.194	S	C	.	.	H	α-helix	trans	-65.3	-40.6	178	-72.1	172.6	0	0	0	112.4	F62 M86 E87 E88 S94	F62-L90 HydrophobicContact CE1-CG 4.49Å; F62-L90 HydrophobicContact CE2-CD2 4.24Å; F62-L90 HydrophobicContact CZ-CD2 3.68Å; F62-L90 HydrophobicContact CZ-CG 3.88Å; M86-L90 HydrophobicContact CE-CD1 4.14Å; M86-L90 HydrophobicContact CG-CD1 4.2Å; M86-L90 VanDerWaalsContact O-CG 3.31Å; M86-L90 WeakPolarHBondContact O-CG 3.01Å; M86-L90 PolarHBondContact O-N 3.2Å; M86-L90 VanDerWaalsContact O-N 3.07Å; E87-L90 PolarHBondContact O-N 3.34Å; E88-L90 PolarHBondContact O-N 3.09Å; L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 3.17Å; L90-S94 PolarHBondContact O-N 3.08Å
91	N	96.2	Very high	94.3	Very high	35 Å²	35	36.8 Å²	36.8	19%	0.187	21%	0.205	C	C	.	.	H	α-helix	trans	-65.9	-44.1	178.4	-76.7	-15.9	0	0	0	111.9	K8 T9 E87 E88 S94 S95	K8-N91 HydrophobicContact CB-CB 3.75Å; K8-N91 HydrophobicContact CD-CB 4.45Å; T9-N91 WeakPolarHBondContact OG1-CB 3.5Å; T9-N91 PolarHBondContact OG1-ND2 3.03Å; E87-N91 WeakPolarHBondContact O-CB 3.43Å; E87-N91 VanDerWaalsContact O-CG 3.28Å; E87-N91 PolarHBondContact O-N 3.26Å; E88-N91 PolarHBondContact O-N 3.08Å; N91-S94 PolarHBondContact O-N 2.85Å; N91-S95 WeakPolarHBondContact O-CB 3.48Å; N91-S95 PolarHBondContact O-N 2.85Å; N91-S95 PolarHBondContact O-OG 3.04Å
92	I	96.6	Very high	93.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-49.4	176.6	-65.8	-72.4	0	0	0	110.2	T9 V12 L29 L31 I69 I83 E88 S94 S95 I96	T9-I92 HydrophobicContact CG2-CD1 4.31Å; T9-I92 WeakPolarHBondContact O-CD1 3.31Å; V12-I92 HydrophobicContact CG2-CD1 3.95Å; V12-I92 HydrophobicContact CG2-CG1 4.05Å; L29-I92 HydrophobicContact CD2-CD1 4.22Å; L29-I92 HydrophobicContact CD2-CG2 3.97Å; L31-I92 HydrophobicContact CD1-CD1 3.44Å; L31-I92 VanDerWaalsContact CD1-CD1 3.44Å; L31-I92 HydrophobicContact CD1-CG2 4.23Å; L31-I92 HydrophobicContact CD2-CD1 4.08Å; L31-I92 HydrophobicContact CD2-CG2 4.38Å; L31-I92 HydrophobicContact CG-CD1 4.37Å; I69-I92 HydrophobicContact CD1-CB 4.17Å; I69-I92 HydrophobicContact CD1-CG2 3.76Å; I83-I92 HydrophobicContact CD1-CB 4.04Å; I83-I92 HydrophobicContact CD1-CG1 4.3Å; I83-I92 HydrophobicContact CD1-CG2 3.87Å; E88-I92 WeakPolarHBondContact O-CB 3.42Å; E88-I92 WeakPolarHBondContact O-CG1 3.3Å; E88-I92 PolarHBondContact O-N 3.29Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 2.8Å; I92-S95 WeakPolarHBondContact O-CB 3.45Å; I92-S95 PolarHBondContact O-N 3.14Å; I92-S95 VanDerWaalsContact O-N 3.1Å; I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 HydrophobicContact CG2-CG1 4.46Å; I92-I96 WeakPolarHBondContact O-CG1 3.44Å; I92-I96 PolarHBondContact O-N 3.17Å
93	A	96.1	Very high	93	Very high	1 Å²	1	45 Å²	45	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-44.7	178.9	0	0	0	0	0	112.3	I58 K60 I69 C89 S95 I96 E97	I58-A93 HydrophobicContact CD1-CB 3.75Å; I58-A93 WeakPolarHBondContact CD1-O 3.44Å; K60-A93 HydrophobicContact CD-CB 3.65Å; K60-A93 HydrophobicContact CG-CB 3.99Å; I69-A93 HydrophobicContact CD1-CB 3.81Å; I69-A93 HydrophobicContact CG1-CB 4.48Å; C89-A93 VanDerWaalsContact O-CB 3.3Å; C89-A93 WeakPolarHBondContact O-CB 3.34Å; C89-A93 PolarHBondContact O-N 3.13Å; A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.1Å; A93-I96 PolarHBondContact O-N 3.2Å; A93-E97 WeakPolarHBondContact O-CG 3.41Å; A93-E97 PolarHBondContact O-N 3.39Å
94	S	95.8	Very high	92.7	Very high	36 Å²	36	47.2 Å²	47.2	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-33.8	176.4	178.3	0	0	0	0	112.5	K8 L90 N91 I92 A98	K8-S94 PolarHBondContact NZ-OG 3.18Å; L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 3.17Å; L90-S94 PolarHBondContact O-N 3.08Å; N91-S94 PolarHBondContact O-N 2.85Å; I92-S94 VanDerWaalsContact C-N 3.35Å; I92-S94 PolarHBondContact O-N 2.8Å; S94-A98 WeakPolarHBondContact O-CB 3.37Å; S94-A98 PolarHBondContact O-N 3.29Å
95	S	96.6	Very high	92.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.5	-41.7	177	-53.3	0	0	0	0	110.8	L6 K8 N91 I92 A93 A98 L99	L6-S95 WeakPolarHBondContact O-CA 3.37Å; L6-S95 WeakPolarHBondContact O-CB 3.4Å; L6-S95 PolarHBondContact O-OG 3.43Å; K8-S95 PolarHBondContact N-OG 3.2Å; N91-S95 WeakPolarHBondContact O-CB 3.48Å; N91-S95 PolarHBondContact O-N 2.85Å; N91-S95 PolarHBondContact O-OG 3.04Å; I92-S95 WeakPolarHBondContact O-CB 3.45Å; I92-S95 PolarHBondContact O-N 3.14Å; I92-S95 VanDerWaalsContact O-N 3.1Å; A93-S95 VanDerWaalsContact C-N 3.28Å; A93-S95 PolarHBondContact O-N 3.1Å; S95-A98 PolarHBondContact O-N 3.43Å; S95-L99 WeakPolarHBondContact O-CB 3.4Å; S95-L99 VanDerWaalsContact O-CG 3.27Å; S95-L99 WeakPolarHBondContact O-CG 3.35Å; S95-L99 PolarHBondContact O-N 3.26Å
96	I	95.7	Very high	92.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-48.9	174.8	-67.9	166.6	0	0	0	110.7	L31 L36 I55 I58 I71 I92 A93 A98 L99 S100	L31-I96 HydrophobicContact CD2-CG1 4.31Å; L36-I96 HydrophobicContact CD1-CD1 3.57Å; L36-I96 HydrophobicContact CD1-CG1 4.05Å; I55-I96 HydrophobicContact CD1-CG2 3.57Å; I55-I96 HydrophobicContact CG2-CG2 4.08Å; I58-I96 HydrophobicContact CD1-CB 4.43Å; I58-I96 HydrophobicContact CD1-CG2 4.37Å; I58-I96 HydrophobicContact CG2-CG2 3.84Å; I71-I96 HydrophobicContact CD1-CD1 4.2Å; I92-I96 HydrophobicContact CG2-CD1 3.84Å; I92-I96 HydrophobicContact CG2-CG1 4.46Å; I92-I96 WeakPolarHBondContact O-CG1 3.44Å; I92-I96 PolarHBondContact O-N 3.17Å; A93-I96 PolarHBondContact O-N 3.2Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 PolarHBondContact O-N 3.16Å; I96-L99 PolarHBondContact O-N 3.05Å; I96-S100 WeakPolarHBondContact O-CB 3.37Å; I96-S100 PolarHBondContact O-N 3.04Å; I96-S100 PolarHBondContact O-OG 3.49Å; I96-S100 VanDerWaalsContact O-OG 3.08Å
97	E	93.5	Very high	92.8	Very high	78 Å²	78	44.9 Å²	44.9	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-57.1	-40	178.7	-75.6	166.6	-179.2	0	0	111.9	I58 K60 A93 S100 T101	I58-E97 HydrophobicContact CD1-CG 3.65Å; I58-E97 HydrophobicContact CG1-CG 4.04Å; K60-E97 IonicContact NZ-OE1 2.91Å; K60-E97 PolarHBondContact NZ-OE1 2.88Å; K60-E97 IonicContact NZ-OE2 3.45Å; A93-E97 WeakPolarHBondContact O-CG 3.41Å; A93-E97 PolarHBondContact O-N 3.39Å; E97-S100 PolarHBondContact O-OG 3.42Å; E97-T101 PolarHBondContact O-OG1 3.44Å
98	A	93	Very high	92.9	Very high	33 Å²	33	40 Å²	40	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-72	-39.9	178.1	0	0	0	0	0	113	L6 S94 S95 I96	L6-A98 HydrophobicContact CB-CB 4.35Å; L6-A98 HydrophobicContact CD2-CB 4.3Å; S94-A98 WeakPolarHBondContact O-CB 3.37Å; S94-A98 PolarHBondContact O-N 3.29Å; S95-A98 PolarHBondContact O-N 3.43Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 PolarHBondContact O-N 3.16Å
99	L	93.9	Very high	93	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-81.8	-25.7	-175.9	-68.2	168.1	0	0	0	113.6	F3 L6 I7 H52 S95 I96 T101 L102	F3-L99 HydrophobicContact CD1-CD2 3.96Å; L6-L99 HydrophobicContact CB-CD2 3.95Å; L6-L99 HydrophobicContact CB-CG 4.26Å; L6-L99 HydrophobicContact CD1-CD2 3.77Å; I7-L99 HydrophobicContact CD1-CD1 4.36Å; I7-L99 HydrophobicContact CG1-CD1 3.84Å; H52-L99 HydrophobicContact CB-CB 4.05Å; H52-L99 WeakPolarHBondContact NE2-CD1 3.49Å; S95-L99 WeakPolarHBondContact O-CB 3.4Å; S95-L99 VanDerWaalsContact O-CG 3.27Å; S95-L99 WeakPolarHBondContact O-CG 3.35Å; S95-L99 PolarHBondContact O-N 3.26Å; I96-L99 PolarHBondContact O-N 3.05Å; L99-T101 VanDerWaalsContact C-N 3.33Å; L99-L102 WeakPolarHBondContact O-CG 3.33Å
100	S	91.6	Very high	93.1	Very high	24 Å²	24	39 Å²	39	17%	0.168	22%	0.22	C	C	.	.	H	α-helix	trans	-78.7	-16.9	176.9	66.9	0	0	0	0	113.4	H52 I96 E97	H52-S100 WeakPolarHBondContact O-CA 3.48Å; H52-S100 VanDerWaalsContact O-CB 3.23Å; H52-S100 WeakPolarHBondContact O-CB 3.46Å; I96-S100 WeakPolarHBondContact O-CB 3.37Å; I96-S100 PolarHBondContact O-N 3.04Å; I96-S100 PolarHBondContact O-OG 3.49Å; I96-S100 VanDerWaalsContact O-OG 3.08Å; E97-S100 PolarHBondContact O-OG 3.42Å
101	T	85.9	Confident	93.2	Very high	86 Å²	86	36.7 Å²	36.7	53%	0.528	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	24.1	-174.1	59.3	0	0	0	0	113.8	E97 L99 D103	E97-T101 PolarHBondContact O-OG1 3.44Å; L99-T101 VanDerWaalsContact C-N 3.33Å; T101-D103 PolarHBondContact O-N 3.42Å
102	L	86	Confident	93.2	Very high	30 Å²	30	39.4 Å²	39.4	16%	0.157	22%	0.217	C	C	.	.			trans	-58.2	120.8	178.9	-65.9	171.9	0	0	0	112.1	M1 F3 L6 L99 S104 L107	M1-L102 HydrophobicContact SD-CD2 4.42Å; F3-L102 HydrophobicContact CE1-CD1 3.82Å; L6-L102 HydrophobicContact CD1-CD2 3.83Å; L99-L102 WeakPolarHBondContact O-CG 3.33Å; L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.91Å; L102-L107 HydrophobicContact CD1-CB 4.46Å
103	D	80	Confident	93.2	Very high	166 Å²	166	41.1 Å²	41.1	89%	0.888	22%	0.224	S	C	*	.			trans	-70	-28	-179.5	-70.2	-40	0	0	0	113.5	T101	T101-D103 PolarHBondContact O-N 3.42Å
104	S	90.3	Very high	93.1	Very high	47 Å²	47	50 Å²	50	33%	0.329	26%	0.257	S	S	.	.			trans	-93.4	115.3	-172.1	-174.3	0	0	0	0	112.3	L102 T106 L107	L102-S104 VanDerWaalsContact C-N 3.33Å; L102-S104 PolarHBondContact O-N 2.91Å; S104-T106 PolarHBondContact O-N 3.29Å; S104-T106 PolarHBondContact OG-OG1 3.12Å; S104-L107 WeakPolarHBondContact O-CB 3.45Å; S104-L107 PolarHBondContact O-N 3.47Å
105	I	92.1	Very high	92.8	Very high	29 Å²	29	50.5 Å²	50.5	15%	0.149	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-56.5	-36.3	176.8	-57.1	173.7	0	0	0	111.8	L107 M108 F111 Q377 L438 L448	I105-L107 PolarHBondContact O-N 2.88Å; I105-M108 HydrophobicContact CB-SD 4.42Å; I105-M108 HydrophobicContact CG1-CE 4.27Å; I105-M108 HydrophobicContact CG2-SD 4.11Å; I105-M108 VanDerWaalsContact O-CB 3.27Å; I105-M108 WeakPolarHBondContact O-CB 3.48Å; I105-M108 WeakPolarHBondContact O-CG 3.34Å; I105-M108 PolarHBondContact O-N 3.21Å; I105-F111 HydrophobicContact CG2-CE2 4.1Å; I105-F111 WeakPolarHBondContact O-CD2 3.3Å; I105-F111 WeakPolarHBondContact O-CE2 3.47Å; I105-Q377 HydrophobicContact CD1-CG 3.78Å; I105-Q377 HydrophobicContact CG1-CG 4.2Å; I105-L438 HydrophobicContact CG2-CB 4.44Å; I105-L438 HydrophobicContact CG2-CD1 4.16Å; I105-L448 HydrophobicContact CB-CD1 4.46Å; I105-L448 HydrophobicContact CB-CD2 4.48Å; I105-L448 HydrophobicContact CD1-CD1 4.15Å; I105-L448 HydrophobicContact CG2-CD1 3.96Å
106	T	94.4	Very high	92.4	Very high	59 Å²	59	59.8 Å²	59.8	36%	0.362	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-70.2	-11.3	-179.6	56.5	0	0	0	0	114	S104 F111 L448	S104-T106 PolarHBondContact O-N 3.29Å; S104-T106 PolarHBondContact OG-OG1 3.12Å; T106-F111 HydrophobicContact CG2-CE1 4.22Å; T106-F111 HydrophobicContact CG2-CZ 4.1Å; T106-L448 HydrophobicContact CG2-CD2 3.72Å
107	L	93.8	Very high	92.1	Very high	33 Å²	33	62.5 Å²	62.5	17%	0.173	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-91.1	-6	173	-62.2	-179.1	0	0	0	112.2	M1 F3 H34 L102 S104 I105	M1-L107 HydrophobicContact CB-CD1 4.4Å; M1-L107 HydrophobicContact SD-CD1 3.89Å; F3-L107 HydrophobicContact CE1-CB 4.28Å; F3-L107 HydrophobicContact CZ-CB 3.98Å; F3-L107 HydrophobicContact CZ-CD2 4.24Å; F3-L107 WeakPolarHBondContact CZ-O 3.17Å; H34-L107 PolarHBondContact NE2-O 3.03Å; L102-L107 HydrophobicContact CD1-CB 4.46Å; S104-L107 WeakPolarHBondContact O-CB 3.45Å; S104-L107 PolarHBondContact O-N 3.47Å; I105-L107 PolarHBondContact O-N 2.88Å
108	M	94.8	Very high	92	Very high	34 Å²	34	66.8 Å²	66.8	17%	0.167	34%	0.337	C	S	.	.	S	Bend	trans	-71.8	153.9	178.6	-62.9	177.3	180	0	0	111.8	I105 P110 F111 F112 L438	I105-M108 HydrophobicContact CB-SD 4.42Å; I105-M108 HydrophobicContact CG1-CE 4.27Å; I105-M108 HydrophobicContact CG2-SD 4.11Å; I105-M108 VanDerWaalsContact O-CB 3.27Å; I105-M108 WeakPolarHBondContact O-CB 3.48Å; I105-M108 WeakPolarHBondContact O-CG 3.34Å; I105-M108 PolarHBondContact O-N 3.21Å; M108-P110 VanDerWaalsContact C-N 3.31Å; M108-P110 VanDerWaalsContact O-N 3.13Å; M108-F111 PolarHBondContact O-N 3.45Å; M108-F111 VanDerWaalsContact O-N 3.15Å; M108-F112 WeakPolarHBondContact O-CD2 3.5Å; M108-L438 HydrophobicContact SD-CD2 3.93Å
109	Y	96.3	Very high	91.8	Very high	47 Å²	47	68.3 Å²	68.3	18%	0.184	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-52.8	-35.2	-173.8	-173.3	-131.4	0	0	0	115.4	H34 H35 L51 F111 F112 Y113 Q433	H34-Y109 HydrophobicContact CB-CD2 3.71Å; H34-Y109 HydrophobicContact CB-CG 4.01Å; H34-Y109 VanDerWaalsContact CD2-CA 3.49Å; H34-Y109 WeakPolarHBondContact CD2-CA 3.17Å; H34-Y109 PolarHBondContact CD2-N 2.94Å; H34-Y109 AromaticContact CG-CD2 3.63Å; H34-Y109 AromaticContact ND1-CD2 3.82Å; H35-Y109 AromaticContact CE1-CD1 3.83Å; H35-Y109 AromaticContact CE1-CD2 3.84Å; H35-Y109 AromaticContact CE1-CE1 3.5Å; H35-Y109 AromaticContact CE1-CE2 3.56Å; H35-Y109 AromaticContact CE1-CG 3.98Å; H35-Y109 AromaticContact CE1-CZ 3.36Å; H35-Y109 AromaticContact NE2-CE1 3.69Å; H35-Y109 AromaticContact NE2-CZ 3.96Å; L51-Y109 HydrophobicContact CD2-CD1 3.59Å; L51-Y109 HydrophobicContact CD2-CE1 4.33Å; L51-Y109 HydrophobicContact CD2-CG 3.92Å; Y109-F111 PolarHBondContact O-N 3.33Å; Y109-F112 HydrophobicContact CD2-CB 4.3Å; Y109-F112 CarbonylContact O-C 3.05Å; Y109-F112 WeakPolarHBondContact O-CA 3.44Å; Y109-F112 PolarHBondContact O-N 3.3Å; Y109-Y113 AromaticContact CE1-CD2 3.79Å; Y109-Y113 HydrophobicContact CE1-CD2 3.79Å; Y109-Y113 HydrophobicContact CE1-CG 4.36Å; Y109-Y113 AromaticContact CZ-CD2 3.74Å; Y109-Y113 PolarHBondContact O-N 3.28Å; Y109-Q433 HydrophobicContact CD1-CB 3.64Å; Y109-Q433 HydrophobicContact CE1-CB 3.52Å
110	P	97.3	Very high	91.7	Very high	4 Å²	4	73.8 Å²	73.8	3%	0.026	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-55.4	-24.9	178.5	-31.3	39	0	0	0	116.1	M108 F112 S432 Q433 F434 L438 T454	M108-P110 VanDerWaalsContact C-N 3.31Å; M108-P110 VanDerWaalsContact O-N 3.13Å; P110-F112 VanDerWaalsContact C-N 3.32Å; P110-S432 WeakPolarHBondContact CD-O 3.47Å; P110-S432 VanDerWaalsContact CG-O 3.28Å; P110-S432 WeakPolarHBondContact CG-O 3.43Å; P110-Q433 WeakPolarHBondContact CA-O 3.36Å; P110-F434 VanDerWaalsContact CG-O 3.3Å; P110-F434 WeakPolarHBondContact CG-O 3.21Å; P110-L438 HydrophobicContact CB-CD1 3.83Å; P110-L438 HydrophobicContact CG-CD1 3.89Å; P110-L438 HydrophobicContact CG-CG 4.44Å; P110-T454 HydrophobicContact CB-CG2 4.02Å; P110-T454 WeakPolarHBondContact O-CB 3.28Å; P110-T454 WeakPolarHBondContact O-CG2 3.44Å
111	F	97.1	Very high	91.7	Very high	24 Å²	24	75.2 Å²	75.2	11%	0.105	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-79.2	-15.2	175.5	-71.9	-91.1	0	0	0	113.8	I105 T106 M108 Y109 L438 L448 L450 K453 T454	I105-F111 HydrophobicContact CG2-CE2 4.1Å; I105-F111 WeakPolarHBondContact O-CD2 3.3Å; I105-F111 WeakPolarHBondContact O-CE2 3.47Å; T106-F111 HydrophobicContact CG2-CE1 4.22Å; T106-F111 HydrophobicContact CG2-CZ 4.1Å; M108-F111 PolarHBondContact O-N 3.45Å; M108-F111 VanDerWaalsContact O-N 3.15Å; Y109-F111 PolarHBondContact O-N 3.33Å; F111-L438 HydrophobicContact CD2-CD1 4.46Å; F111-L438 HydrophobicContact CE2-CD1 3.87Å; F111-L448 HydrophobicContact CZ-CB 4.39Å; F111-L448 HydrophobicContact CZ-CD2 4.49Å; F111-L450 HydrophobicContact CE1-CD2 4.29Å; F111-L450 HydrophobicContact CE2-CD2 4.11Å; F111-L450 HydrophobicContact CZ-CD2 3.54Å; F111-K453 HydrophobicContact CD1-CB 3.84Å; F111-K453 HydrophobicContact CD1-CD 4.1Å; F111-K453 HydrophobicContact CE1-CB 3.92Å; F111-K453 HydrophobicContact CE1-CD 3.97Å; F111-T454 HydrophobicContact CD1-CG2 3.94Å; F111-T454 HydrophobicContact CD2-CG2 4.1Å; F111-T454 HydrophobicContact CE1-CG2 4.02Å; F111-T454 HydrophobicContact CE2-CG2 4.16Å; F111-T454 HydrophobicContact CG-CG2 3.99Å; F111-T454 HydrophobicContact CZ-CG2 4.14Å
112	F	96.3	Very high	92.1	Very high	93 Å²	93	74.7 Å²	74.7	41%	0.408	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-18.8	-178.4	-61.4	-92.9	0	0	0	112.2	F3 H34 M108 Y109 P110 R114	F3-F112 HydrophobicContact CE2-CE1 4.23Å; F3-F112 HydrophobicContact CE2-CE2 4.24Å; F3-F112 AromaticContact CE2-CZ 3.83Å; F3-F112 HydrophobicContact CE2-CZ 3.83Å; F3-F112 HydrophobicContact CZ-CE2 4.21Å; F3-F112 HydrophobicContact CZ-CZ 4.19Å; H34-F112 AromaticContact CE1-CD2 3.35Å; H34-F112 WeakPolarHBondContact CE1-CD2 3.26Å; H34-F112 AromaticContact CE1-CE2 3.83Å; H34-F112 AromaticContact CE1-CG 3.54Å; H34-F112 AromaticContact NE2-CD2 3.47Å; H34-F112 WeakPolarHBondContact NE2-CD2 3.3Å; H34-F112 AromaticContact NE2-CE2 3.78Å; M108-F112 WeakPolarHBondContact O-CD2 3.5Å; Y109-F112 HydrophobicContact CD2-CB 4.3Å; Y109-F112 CarbonylContact O-C 3.05Å; Y109-F112 WeakPolarHBondContact O-CA 3.44Å; Y109-F112 PolarHBondContact O-N 3.3Å; P110-F112 VanDerWaalsContact C-N 3.32Å; F112-R114 PolarHBondContact O-N 2.95Å
113	Y	96.8	Very high	92.6	Very high	36 Å²	36	73.3 Å²	73.3	14%	0.141	36%	0.362	C	S	.	.			trans	-60.3	131.4	179	179.8	-115.1	0	0	0	111.5	Y109 P115 Q433 F434 M455	Y109-Y113 AromaticContact CE1-CD2 3.79Å; Y109-Y113 HydrophobicContact CE1-CD2 3.79Å; Y109-Y113 HydrophobicContact CE1-CG 4.36Å; Y109-Y113 AromaticContact CZ-CD2 3.74Å; Y109-Y113 PolarHBondContact O-N 3.28Å; Y113-P115 HydrophobicContact CE1-CB 4.39Å; Y113-Q433 WeakPolarHBondContact CB-O 3.22Å; Y113-Q433 HydrophobicContact CD1-CB 4.13Å; Y113-Q433 HydrophobicContact CD1-CG 4.17Å; Y113-Q433 WeakPolarHBondContact CD1-O 3.36Å; Y113-Q433 HydrophobicContact CD2-CB 3.76Å; Y113-Q433 HydrophobicContact CD2-CG 4.18Å; Y113-Q433 HydrophobicContact CE1-CB 4.45Å; Y113-Q433 HydrophobicContact CE1-CG 4.02Å; Y113-Q433 HydrophobicContact CE2-CB 4.1Å; Y113-Q433 HydrophobicContact CE2-CG 4.02Å; Y113-Q433 HydrophobicContact CG-CB 3.77Å; Y113-Q433 HydrophobicContact CG-CG 4.25Å; Y113-F434 HydrophobicContact CE1-CD1 4.32Å; Y113-F434 AromaticContact CE1-CE1 3.84Å; Y113-F434 HydrophobicContact CE1-CE1 3.84Å; Y113-M455 HydrophobicContact CD1-CB 4.24Å; Y113-M455 HydrophobicContact CD1-SD 4.45Å; Y113-M455 HydrophobicContact CE1-CB 4.46Å; Y113-M455 HydrophobicContact CE1-SD 3.79Å
114	R	93.4	Very high	93.3	Very high	186 Å²	186	66.7 Å²	66.7	70%	0.702	33%	0.325	S	S	*	.			trans	-122.9	120.5	172.5	-60.6	-61.1	179	-161.6	-2.4	108	F112	F112-R114 PolarHBondContact O-N 2.95Å
115	P	89.3	Confident	93.5	Very high	47 Å²	47	68.8 Å²	68.8	31%	0.305	33%	0.329	S	S	.	.			trans	-62.7	142.1	178.3	32	-40.9	0	0	0	110.5	Y113 F117 M455	Y113-P115 HydrophobicContact CE1-CB 4.39Å; P115-F117 HydrophobicContact CB-CD1 3.86Å; P115-F117 HydrophobicContact CB-CE1 3.68Å; P115-F117 HydrophobicContact CB-CG 4.45Å; P115-F117 HydrophobicContact CB-CZ 4.12Å; P115-M455 HydrophobicContact CB-CE 3.39Å; P115-M455 HydrophobicContact CB-SD 3.85Å; P115-M455 HydrophobicContact CG-CE 3.24Å; P115-M455 HydrophobicContact CG-SD 4.31Å
116	M	89.3	Confident	93.6	Very high	195 Å²	195	68.6 Å²	68.6	96%	0.961	33%	0.331	S	S	*	.	S	Bend	trans	-100.2	14.9	169	-63.7	-164.9	-72.3	0	0	112.2
117	F	89.8	Confident	93.6	Very high	58 Å²	58	67.3 Å²	67.3	25%	0.254	32%	0.32	S	S	.	.	S	Bend	trans	-122.9	156.8	177.8	66	-89.4	0	0	0	110.4	P115 V119 M455 W460 Q463	P115-F117 HydrophobicContact CB-CD1 3.86Å; P115-F117 HydrophobicContact CB-CE1 3.68Å; P115-F117 HydrophobicContact CB-CG 4.45Å; P115-F117 HydrophobicContact CB-CZ 4.12Å; F117-V119 HydrophobicContact CE2-CG2 4.08Å; F117-M455 HydrophobicContact CE1-SD 3.97Å; F117-M455 HydrophobicContact CE2-SD 4.5Å; F117-M455 HydrophobicContact CZ-CE 4.21Å; F117-M455 HydrophobicContact CZ-SD 3.52Å; F117-M455 VanDerWaalsContact CZ-SD 3.52Å; F117-W460 HydrophobicContact CE1-CB 4.31Å; F117-W460 AromaticContact CE1-CD1 3.8Å; F117-W460 HydrophobicContact CE1-CG 4.42Å; F117-W460 HydrophobicContact CZ-CB 3.79Å; F117-W460 HydrophobicContact CZ-CG 4.32Å; F117-Q463 HydrophobicContact CD2-CG 4.09Å; F117-Q463 HydrophobicContact CE2-CG 4.08Å
118	E	90.6	Very high	93.5	Very high	168 Å²	168	68.4 Å²	68.4	79%	0.785	33%	0.325	S	S	*	.			trans	-76.3	125.4	174.3	-174	176.1	-179	0	0	110.3	I120	E118-I120 PolarHBondContact O-N 3.21Å; E118-I120 VanDerWaalsContact O-N 3.1Å
119	V	89.9	Confident	93.4	Very high	64 Å²	64	68 Å²	68	39%	0.388	33%	0.325	S	S	.	.			trans	-78.6	99.2	179.5	-179.2	0	0	0	0	109.2	F117 E121 M455	F117-V119 HydrophobicContact CE2-CG2 4.08Å; V119-E121 WeakPolarHBondContact CG1-O 3.41Å; V119-M455 HydrophobicContact CG2-CE 3.57Å
120	I	91.1	Very high	93.2	Very high	119 Å²	119	68.7 Å²	68.7	61%	0.61	33%	0.33	S	S	*	.			trans	-70.2	-33.2	176.5	-54.6	178.3	0	0	0	111.9	E118	E118-I120 PolarHBondContact O-N 3.21Å; E118-I120 VanDerWaalsContact O-N 3.1Å
121	E	92.3	Very high	92.9	Very high	55 Å²	55	72.2 Å²	72.2	26%	0.257	35%	0.347	S	S	.	.	S	Bend	trans	-137.2	138.6	-177.7	-175.6	-176.5	158	0	0	112.2	V119 G123 S126 R359 S459	V119-E121 WeakPolarHBondContact CG1-O 3.41Å; E121-G123 PolarHBondContact O-N 3.46Å; E121-S126 WeakPolarHBondContact OE1-CB 3.25Å; E121-S126 PolarHBondContact OE1-OG 3.27Å; E121-R359 IonicContact OE1-CZ 3.44Å; E121-R359 IonicContact OE1-NH1 2.85Å; E121-R359 PolarHBondContact OE1-NH1 2.98Å; E121-R359 IonicContact OE1-NH2 3.06Å; E121-R359 IonicContact OE2-CZ 2.76Å; E121-R359 IonicContact OE2-NH1 2.81Å; E121-R359 PolarHBondContact OE2-NH1 2.76Å; E121-R359 IonicContact OE2-NH2 2.71Å; E121-R359 PolarHBondContact OE2-NH2 2.69Å; E121-S459 VanDerWaalsContact O-CB 3.31Å; E121-S459 WeakPolarHBondContact O-CB 3.48Å; E121-S459 PolarHBondContact O-OG 3.08Å
122	D	93.6	Very high	92.5	Very high	74 Å²	74	72.1 Å²	72.1	40%	0.396	35%	0.346	S	S	.	.			trans	-85.7	94.1	173.7	-175.8	4.8	0	0	0	112.4	W124 H125 S126	D122-W124 PolarHBondContact O-N 3.43Å; D122-W124 VanDerWaalsContact O-N 3.09Å; D122-W124 WeakPolarHBondContact OD1-CB 3.3Å; D122-W124 PolarHBondContact OD1-N 3.06Å; D122-H125 PolarHBondContact O-N 3.03Å; D122-H125 VanDerWaalsContact O-N 3.09Å; D122-H125 IonicContact OD1-ND1 2.85Å; D122-H125 IonicContact OD2-CE1 2.83Å; D122-H125 IonicContact OD2-CG 3.31Å; D122-H125 IonicContact OD2-ND1 3.94Å; D122-H125 PolarHBondContact OD2-ND1 3.5Å; D122-S126 PolarHBondContact O-N 3.38Å; D122-S126 PolarHBondContact O-OG 3.48Å
123	G	95.6	Very high	92.3	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.01	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.8	178	0	0	0	0	0	114.9	E121 S126 S456 S459	E121-G123 PolarHBondContact O-N 3.46Å; G123-S126 WeakPolarHBondContact CA-OG 3.28Å; G123-S456 PolarHBondContact O-OG 3.08Å; G123-S459 PolarHBondContact N-OG 2.95Å
124	W	95.8	Very high	92	Very high	27 Å²	27	73.5 Å²	73.5	10%	0.102	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-23.7	174.4	-71.7	118.6	0	0	0	113	D122 L450 Q451 T454	D122-W124 PolarHBondContact O-N 3.43Å; D122-W124 VanDerWaalsContact O-N 3.09Å; D122-W124 WeakPolarHBondContact OD1-CB 3.3Å; D122-W124 PolarHBondContact OD1-N 3.06Å; W124-L450 HydrophobicContact CH2-CB 3.94Å; W124-L450 HydrophobicContact CZ2-CB 4.28Å; W124-Q451 HydrophobicContact CB-CB 4.44Å; W124-Q451 HydrophobicContact CB-CG 4.08Å; W124-Q451 HydrophobicContact CD2-CB 4.23Å; W124-Q451 HydrophobicContact CD2-CG 3.79Å; W124-Q451 HydrophobicContact CE3-CG 3.74Å; W124-Q451 HydrophobicContact CG-CB 4.14Å; W124-Q451 HydrophobicContact CG-CG 3.96Å; W124-Q451 HydrophobicContact CZ3-CG 4.41Å; W124-T454 WeakPolarHBondContact CZ2-OG1 3.4Å; W124-T454 PolarHBondContact NE1-O 3.19Å
125	H	95	Very high	91.6	Very high	91 Å²	91	67.7 Å²	67.7	42%	0.421	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	4.6	-176.4	-61.8	95.2	0	0	0	113.4	D122 F127 Q131	D122-H125 PolarHBondContact O-N 3.03Å; D122-H125 VanDerWaalsContact O-N 3.09Å; D122-H125 IonicContact OD1-ND1 2.85Å; D122-H125 IonicContact OD2-CE1 2.83Å; D122-H125 IonicContact OD2-CG 3.31Å; D122-H125 IonicContact OD2-ND1 3.94Å; D122-H125 PolarHBondContact OD2-ND1 3.5Å; H125-F127 VanDerWaalsContact C-N 3.31Å; H125-F127 PolarHBondContact O-N 3.26Å; H125-Q131 PolarHBondContact O-NE2 2.97Å
126	S	93.3	Very high	91.3	Very high	26 Å²	26	66.1 Å²	66.1	18%	0.182	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.6	178.7	-56.2	0	0	0	0	114.5	E121 D122 G123 Q131	E121-S126 WeakPolarHBondContact OE1-CB 3.25Å; E121-S126 PolarHBondContact OE1-OG 3.27Å; D122-S126 PolarHBondContact O-N 3.38Å; D122-S126 PolarHBondContact O-OG 3.48Å; G123-S126 WeakPolarHBondContact CA-OG 3.28Å; S126-Q131 PolarHBondContact O-OE1 3.27Å; S126-Q131 VanDerWaalsContact O-OE1 3.11Å
127	F	93.8	Very high	91.2	Very high	32 Å²	32	59.5 Å²	59.5	14%	0.14	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.5	53.1	-169	-53.6	-64.4	0	0	0	113.1	H125 R359 E362 A363 E366 Q371 W458	H125-F127 VanDerWaalsContact C-N 3.31Å; H125-F127 PolarHBondContact O-N 3.26Å; F127-R359 WeakPolarHBondContact CE1-O 3.48Å; F127-E362 HydrophobicContact CE1-CB 4.22Å; F127-E362 HydrophobicContact CE2-CB 3.64Å; F127-E362 HydrophobicContact CZ-CB 3.47Å; F127-E362 VanDerWaalsContact CZ-CB 3.47Å; F127-E362 HydrophobicContact CZ-CG 4.44Å; F127-E362 VanDerWaalsContact CZ-OE2 3.27Å; F127-E362 WeakPolarHBondContact CZ-OE2 3.37Å; F127-A363 HydrophobicContact CD1-CB 3.45Å; F127-A363 VanDerWaalsContact CD1-CB 3.45Å; F127-A363 HydrophobicContact CE1-CB 3.82Å; F127-A363 HydrophobicContact CG-CB 4.24Å; F127-E366 HydrophobicContact CB-CB 3.87Å; F127-E366 HydrophobicContact CB-CG 3.95Å; F127-E366 HydrophobicContact CD2-CG 3.81Å; F127-E366 HydrophobicContact CG-CB 4.43Å; F127-E366 HydrophobicContact CG-CG 4.18Å; F127-Q371 PolarHBondContact O-NE2 3.02Å; F127-W458 HydrophobicContact CE2-CB 4.3Å; F127-W458 AromaticContact CE2-CD1 3.91Å; F127-W458 HydrophobicContact CE2-CG 4.04Å
128	L	92.8	Very high	90.9	Very high	55 Å²	55	61.4 Å²	61.4	29%	0.288	32%	0.319	S	S	.	.			trans	-75.8	145.7	-177.9	-62.9	175.7	0	0	0	112	E130 Q131 E132	L128-E130 PolarHBondContact O-N 2.85Å; L128-E130 VanDerWaalsContact O-N 3.12Å; L128-Q131 HydrophobicContact CB-CG 4.3Å; L128-Q131 PolarHBondContact O-N 3.35Å; L128-Q131 VanDerWaalsContact O-N 3.12Å; L128-E132 PolarHBondContact O-N 3.26Å
129	P	91.6	Very high	90.7	Very high	25 Å²	25	55.7 Å²	55.7	16%	0.162	30%	0.301	C	S	.	.	H	α-helix	trans	-51.8	-35.3	177.5	-27.4	33.8	0	0	0	114.3	E132 F133	P129-E132 PolarHBondContact O-N 3.23Å; P129-F133 WeakPolarHBondContact O-CB 3.4Å; P129-F133 PolarHBondContact O-N 2.86Å
130	E	93	Very high	90.7	Very high	63 Å²	63	53.6 Å²	53.6	29%	0.294	29%	0.288	S	S	.	.	H	α-helix	trans	-66.3	-45	179.6	-64.6	90.7	153	0	0	112.2	L128 E132 F133 E134 L145 I161	L128-E130 PolarHBondContact O-N 2.85Å; L128-E130 VanDerWaalsContact O-N 3.12Å; E130-E132 VanDerWaalsContact C-N 3.26Å; E130-E132 PolarHBondContact O-N 2.94Å; E130-F133 WeakPolarHBondContact O-CB 3.45Å; E130-F133 PolarHBondContact O-N 3.18Å; E130-F133 VanDerWaalsContact O-N 3.1Å; E130-E134 WeakPolarHBondContact O-CG 2.97Å; E130-E134 PolarHBondContact O-N 2.91Å; E130-L145 HydrophobicContact CG-CD1 3.95Å; E130-I161 WeakPolarHBondContact OE1-CD1 3.49Å
131	Q	91	Very high	90.7	Very high	78 Å²	78	52.3 Å²	52.3	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-40.2	177.4	-66.7	165.4	-16.5	0	0	110.6	H125 S126 L128 F133 E134	H125-Q131 PolarHBondContact O-NE2 2.97Å; S126-Q131 PolarHBondContact O-OE1 3.27Å; S126-Q131 VanDerWaalsContact O-OE1 3.11Å; L128-Q131 HydrophobicContact CB-CG 4.3Å; L128-Q131 PolarHBondContact O-N 3.35Å; L128-Q131 VanDerWaalsContact O-N 3.12Å; Q131-F133 VanDerWaalsContact C-N 3.35Å; Q131-E134 PolarHBondContact O-N 3.11Å
132	E	88.3	Confident	90.8	Very high	22 Å²	22	54 Å²	54	10%	0.103	30%	0.297	C	S	.	.	H	α-helix	trans	-68.8	-36	176.8	-174.9	57.1	-158	0	0	111.8	L128 P129 E130 L135 Y136 R354 R367	L128-E132 PolarHBondContact O-N 3.26Å; P129-E132 PolarHBondContact O-N 3.23Å; E130-E132 VanDerWaalsContact C-N 3.26Å; E130-E132 PolarHBondContact O-N 2.94Å; E132-L135 WeakPolarHBondContact O-CB 3.42Å; E132-L135 PolarHBondContact O-N 3.16Å; E132-Y136 HydrophobicContact CG-CE2 3.94Å; E132-Y136 WeakPolarHBondContact O-CD2 3.36Å; E132-Y136 VanDerWaalsContact O-CE2 3.3Å; E132-Y136 WeakPolarHBondContact O-CE2 3.33Å; E132-Y136 WeakPolarHBondContact OE1-CE2 3.29Å; E132-Y136 VanDerWaalsContact OE1-CZ 3.22Å; E132-Y136 PolarHBondContact OE1-OH 3.22Å; E132-R354 IonicContact OE1-CZ 2.72Å; E132-R354 IonicContact OE1-NH2 3.99Å; E132-R354 PolarHBondContact OE1-NH2 3.18Å; E132-R354 IonicContact OE2-CZ 2.63Å; E132-R354 VanDerWaalsContact OE2-CZ 3.28Å; E132-R354 IonicContact OE2-NH1 3.16Å; E132-R354 PolarHBondContact OE2-NH1 3.44Å; E132-R354 IonicContact OE2-NH2 2.96Å; E132-R354 PolarHBondContact OE2-NH2 3.2Å; E132-R367 IonicContact OE1-CZ 3.72Å; E132-R367 IonicContact OE1-NH1 3.87Å; E132-R367 PolarHBondContact OE1-NH1 3.11Å
133	F	91.9	Very high	90.9	Very high	32 Å²	32	51.4 Å²	51.4	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-36.6	175.4	-179.4	-100.7	0	0	0	112.9	P129 E130 Q131 L135 Y136 S137 W143 L145 T163	P129-F133 WeakPolarHBondContact O-CB 3.4Å; P129-F133 PolarHBondContact O-N 2.86Å; E130-F133 WeakPolarHBondContact O-CB 3.45Å; E130-F133 PolarHBondContact O-N 3.18Å; E130-F133 VanDerWaalsContact O-N 3.1Å; Q131-F133 VanDerWaalsContact C-N 3.35Å; F133-L135 PolarHBondContact O-N 2.93Å; F133-Y136 PolarHBondContact O-N 3.04Å; F133-S137 PolarHBondContact O-N 3.18Å; F133-S137 PolarHBondContact O-OG 3.45Å; F133-W143 HydrophobicContact CE2-CB 3.98Å; F133-L145 HydrophobicContact CB-CD1 4.34Å; F133-L145 HydrophobicContact CB-CD2 3.7Å; F133-L145 HydrophobicContact CB-CG 4.2Å; F133-L145 HydrophobicContact CD1-CD1 3.91Å; F133-L145 HydrophobicContact CD1-CD2 4.16Å; F133-L145 HydrophobicContact CD1-CG 3.74Å; F133-L145 HydrophobicContact CD2-CD2 3.78Å; F133-L145 HydrophobicContact CD2-CG 4.07Å; F133-L145 HydrophobicContact CE1-CG 4.1Å; F133-L145 HydrophobicContact CE2-CD2 4.47Å; F133-L145 HydrophobicContact CE2-CG 4.41Å; F133-L145 HydrophobicContact CG-CD1 4.16Å; F133-L145 HydrophobicContact CG-CD2 3.6Å; F133-L145 HydrophobicContact CG-CG 3.72Å; F133-L145 HydrophobicContact CZ-CG 4.43Å; F133-T163 HydrophobicContact CD2-CG2 3.69Å; F133-T163 HydrophobicContact CE2-CG2 3.78Å
134	E	90.8	Very high	91	Very high	126 Å²	126	53.8 Å²	53.8	59%	0.589	29%	0.291	S	S	*	.	H	α-helix	trans	-56.8	-34.4	176.7	-74.1	174.1	-176.4	0	0	112.5	E130 Q131 Y136 S137 S138	E130-E134 WeakPolarHBondContact O-CG 2.97Å; E130-E134 PolarHBondContact O-N 2.91Å; Q131-E134 PolarHBondContact O-N 3.11Å; E134-Y136 PolarHBondContact O-N 2.77Å; E134-S137 WeakPolarHBondContact CA-OG 3.35Å; E134-S137 PolarHBondContact O-N 3.39Å; E134-S137 PolarHBondContact O-OG 2.65Å; E134-S138 PolarHBondContact O-N 2.84Å; E134-S138 PolarHBondContact O-OG 2.81Å
135	L	85.3	Confident	91	Very high	63 Å²	63	54 Å²	54	33%	0.33	29%	0.294	S	S	.	.	H	α-helix	trans	-67	-23.7	177.4	-62.3	172.9	0	0	0	113.4	E132 F133 S138 K193 R354	E132-L135 WeakPolarHBondContact O-CB 3.42Å; E132-L135 PolarHBondContact O-N 3.16Å; F133-L135 PolarHBondContact O-N 2.93Å; L135-S138 PolarHBondContact O-OG 3.22Å; L135-K193 VanDerWaalsContact O-CE 3.26Å; L135-K193 WeakPolarHBondContact O-CE 3.3Å; L135-K193 PolarHBondContact O-NZ 3.47Å; L135-K193 VanDerWaalsContact O-NZ 3.07Å; L135-R354 VanDerWaalsContact CD1-CZ 3.42Å
136	Y	83.7	Confident	91.2	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.059	27%	0.274	C	S	.	.	H	α-helix	trans	-97.4	-35.7	176.4	-53.3	-56.7	0	0	0	112.7	E132 F133 E134 S138 A139 T140 Y191 R367	E132-Y136 HydrophobicContact CG-CE2 3.94Å; E132-Y136 WeakPolarHBondContact O-CD2 3.36Å; E132-Y136 VanDerWaalsContact O-CE2 3.3Å; E132-Y136 WeakPolarHBondContact O-CE2 3.33Å; E132-Y136 WeakPolarHBondContact OE1-CE2 3.29Å; E132-Y136 VanDerWaalsContact OE1-CZ 3.22Å; E132-Y136 PolarHBondContact OE1-OH 3.22Å; F133-Y136 PolarHBondContact O-N 3.04Å; E134-Y136 PolarHBondContact O-N 2.77Å; Y136-S138 PolarHBondContact O-N 3.23Å; Y136-A139 WeakPolarHBondContact O-CA 3.38Å; Y136-A139 WeakPolarHBondContact O-CB 3.35Å; Y136-A139 PolarHBondContact O-N 3.07Å; Y136-T140 PolarHBondContact O-N 2.69Å; Y136-Y191 HydrophobicContact CD1-CD1 4.33Å; Y136-Y191 HydrophobicContact CD1-CG 4.37Å; Y136-R367 PolarHBondContact OH-NH1 2.96Å; Y136-R367 VanDerWaalsContact OH-NH1 3.08Å
137	S	85.7	Confident	91.4	Very high	56 Å²	56	54.1 Å²	54.1	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-65.3	-24.1	-179.1	63.9	0	0	0	0	112.8	F133 E134 A139 T140	F133-S137 PolarHBondContact O-N 3.18Å; F133-S137 PolarHBondContact O-OG 3.45Å; E134-S137 WeakPolarHBondContact CA-OG 3.35Å; E134-S137 PolarHBondContact O-N 3.39Å; E134-S137 PolarHBondContact O-OG 2.65Å; S137-A139 PolarHBondContact O-N 3.06Å; S137-T140 WeakPolarHBondContact CA-O 3.45Å
138	S	83.5	Confident	91.6	Very high	97 Å²	97	52.9 Å²	52.9	68%	0.678	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-23.9	169	56.7	0	0	0	0	113.4	E134 L135 Y136	E134-S138 PolarHBondContact O-N 2.84Å; E134-S138 PolarHBondContact O-OG 2.81Å; L135-S138 PolarHBondContact O-OG 3.22Å; Y136-S138 PolarHBondContact O-N 3.23Å
139	A	86.1	Confident	91.8	Very high	49 Å²	49	50.3 Å²	50.3	41%	0.405	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-23.9	-177.8	0	0	0	0	0	113.7	Y136 S137 Y191 K193	Y136-A139 WeakPolarHBondContact O-CA 3.38Å; Y136-A139 WeakPolarHBondContact O-CB 3.35Å; Y136-A139 PolarHBondContact O-N 3.07Å; S137-A139 PolarHBondContact O-N 3.06Å; A139-Y191 HydrophobicContact CB-CE1 4.06Å; A139-K193 HydrophobicContact CB-CG 4.43Å
140	T	89.9	Confident	92.1	Very high	19 Å²	19	56 Å²	56	12%	0.117	29%	0.291	C	S	.	.			trans	-155.9	150.2	-179.3	176	0	0	0	0	112.8	Y136 S137 E142 Y191	Y136-T140 PolarHBondContact O-N 2.69Å; S137-T140 WeakPolarHBondContact CA-O 3.45Å; T140-E142 WeakPolarHBondContact OG1-CB 3.38Å; T140-E142 PolarHBondContact OG1-N 3.38Å; T140-E142 VanDerWaalsContact OG1-N 3.12Å; T140-E142 PolarHBondContact OG1-OE2 3.21Å; T140-Y191 HydrophobicContact CG2-CD2 4.24Å; T140-Y191 HydrophobicContact CG2-CE1 4.07Å; T140-Y191 HydrophobicContact CG2-CE2 3.71Å
141	S	92.4	Very high	92.3	Very high	93 Å²	93	61 Å²	61	65%	0.65	32%	0.315	S	S	*	.	S	Bend	trans	-104.3	9.8	174.4	65	0	0	0	0	113.9	K166	S141-K166 WeakPolarHBondContact O-CD 3.37Å
142	E	93.9	Very high	92.6	Very high	89 Å²	89	58.7 Å²	58.7	42%	0.416	30%	0.303	S	S	.	.	S	Bend	trans	-86.1	-7.2	-174.7	-65.2	169.1	121.5	0	0	114	T140 K166 R226	T140-E142 WeakPolarHBondContact OG1-CB 3.38Å; T140-E142 PolarHBondContact OG1-N 3.38Å; T140-E142 VanDerWaalsContact OG1-N 3.12Å; T140-E142 PolarHBondContact OG1-OE2 3.21Å; E142-K166 VanDerWaalsContact O-CB 3.3Å; E142-K166 WeakPolarHBondContact O-CB 3.49Å; E142-K166 PolarHBondContact O-N 2.82Å; E142-R226 IonicContact OE1-CZ 2.79Å; E142-R226 IonicContact OE1-NH1 3.28Å; E142-R226 PolarHBondContact OE1-NH1 2.94Å; E142-R226 IonicContact OE2-CZ 3.24Å; E142-R226 IonicContact OE2-NH1 3.48Å; E142-R226 PolarHBondContact OE2-NH1 3.27Å; E142-R226 IonicContact OE2-NH2 3.61Å; E142-R226 PolarHBondContact OE2-NH2 3.09Å
143	W	96	Very high	93	Very high	20 Å²	20	61.6 Å²	61.6	8%	0.076	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.3	-179.4	-63.3	86.7	0	0	0	110.7	F133 T163 V164 P165 L188 Y191 V198 T224	F133-W143 HydrophobicContact CE2-CB 3.98Å; W143-T163 HydrophobicContact CB-CG2 4.07Å; W143-T163 HydrophobicContact CD2-CG2 4.47Å; W143-T163 HydrophobicContact CE3-CG2 3.97Å; W143-V164 WeakPolarHBondContact CA-O 3.28Å; W143-P165 HydrophobicContact CE3-CG 4.36Å; W143-P165 HydrophobicContact CH2-CG 4.06Å; W143-P165 HydrophobicContact CZ3-CG 3.81Å; W143-L188 HydrophobicContact CD2-CD2 3.94Å; W143-L188 HydrophobicContact CE3-CB 3.94Å; W143-L188 HydrophobicContact CE3-CD1 4.45Å; W143-L188 HydrophobicContact CE3-CD2 3.96Å; W143-L188 HydrophobicContact CE3-CG 4.34Å; W143-L188 HydrophobicContact CG-CD2 4.38Å; W143-L188 HydrophobicContact CH2-CB 4.19Å; W143-L188 HydrophobicContact CH2-CD1 3.76Å; W143-L188 HydrophobicContact CH2-CG 4.43Å; W143-L188 HydrophobicContact CZ2-CD1 3.88Å; W143-L188 HydrophobicContact CZ3-CB 3.65Å; W143-L188 HydrophobicContact CZ3-CD1 4.06Å; W143-L188 HydrophobicContact CZ3-CD2 4.35Å; W143-L188 HydrophobicContact CZ3-CG 4.23Å; W143-Y191 AromaticContact NE1-CD2 3.89Å; W143-V198 HydrophobicContact CH2-CG1 4.47Å; W143-V198 HydrophobicContact CH2-CG2 4.31Å; W143-V198 HydrophobicContact CZ2-CB 4.24Å; W143-V198 HydrophobicContact CZ2-CG1 3.64Å; W143-V198 HydrophobicContact CZ2-CG2 4.09Å; W143-T224 HydrophobicContact CH2-CG2 3.77Å; W143-T224 HydrophobicContact CZ2-CG2 4.38Å
144	R	96.6	Very high	93.2	Very high	51 Å²	51	61 Å²	61	19%	0.192	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.6	173.9	68.8	177.6	-176.7	87.2	0.4	110.8	V164 K166 I168 D170	R144-V164 HydrophobicContact CG-CG2 3.84Å; R144-V164 PolarHBondContact N-O 3.26Å; R144-V164 PolarHBondContact O-N 3.01Å; R144-K166 HydrophobicContact CB-CB 4.49Å; R144-I168 VanDerWaalsContact CZ-O 3.27Å; R144-I168 PolarHBondContact NE-O 3.2Å; R144-I168 PolarHBondContact NH2-O 3.36Å; R144-D170 IonicContact CZ-OD1 3.67Å; R144-D170 VanDerWaalsContact CZ-OD1 3.28Å; R144-D170 IonicContact NH1-OD1 3.64Å; R144-D170 PolarHBondContact NH1-OD1 2.94Å; R144-D170 IonicContact NH2-OD1 3.5Å; R144-D170 PolarHBondContact NH2-OD1 3.38Å
145	L	97.3	Very high	93.6	Very high	33 Å²	33	55 Å²	55	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.1	161.7	-64	175.8	0	0	0	109.3	E130 F133 Y147 I161	E130-L145 HydrophobicContact CG-CD1 3.95Å; F133-L145 HydrophobicContact CB-CD1 4.34Å; F133-L145 HydrophobicContact CB-CD2 3.7Å; F133-L145 HydrophobicContact CB-CG 4.2Å; F133-L145 HydrophobicContact CD1-CD1 3.91Å; F133-L145 HydrophobicContact CD1-CD2 4.16Å; F133-L145 HydrophobicContact CD1-CG 3.74Å; F133-L145 HydrophobicContact CD2-CD2 3.78Å; F133-L145 HydrophobicContact CD2-CG 4.07Å; F133-L145 HydrophobicContact CE1-CG 4.1Å; F133-L145 HydrophobicContact CE2-CD2 4.47Å; F133-L145 HydrophobicContact CE2-CG 4.41Å; F133-L145 HydrophobicContact CG-CD1 4.16Å; F133-L145 HydrophobicContact CG-CD2 3.6Å; F133-L145 HydrophobicContact CG-CG 3.72Å; F133-L145 HydrophobicContact CZ-CG 4.43Å; L145-Y147 HydrophobicContact CB-CE2 4.33Å; L145-I161 HydrophobicContact CB-CG2 4.01Å; L145-I161 HydrophobicContact CD1-CG2 4.47Å; L145-I161 HydrophobicContact CD2-CG2 3.88Å; L145-I161 HydrophobicContact CG-CG2 4.35Å
146	S	97.8	Very high	94.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.6	170.4	175.5	0	0	0	0	109.5	V148 I161 V162 D170	S146-V148 VanDerWaalsContact OG-CB 3.31Å; S146-V148 WeakPolarHBondContact OG-CB 3.36Å; S146-V148 WeakPolarHBondContact OG-CG1 3.25Å; S146-V148 PolarHBondContact OG-N 3.38Å; S146-I161 WeakPolarHBondContact O-CA 3.45Å; S146-V162 PolarHBondContact N-O 3.07Å; S146-V162 PolarHBondContact O-N 3.43Å; S146-V162 VanDerWaalsContact O-N 3.09Å; S146-D170 WeakPolarHBondContact CB-OD1 3.37Å; S146-D170 PolarHBondContact OG-OD1 2.76Å
147	Y	97.8	Very high	94.7	Very high	118 Å²	118	55.4 Å²	55.4	46%	0.463	31%	0.311	S	S	.	.			trans	-100.9	15.3	175.4	-61.9	-91.6	0	0	0	111.4	L145 N149 K150 I161	L145-Y147 HydrophobicContact CB-CE2 4.33Å; Y147-N149 PolarHBondContact O-N 3.12Å; Y147-K150 VanDerWaalsContact O-CB 3.31Å; Y147-K150 WeakPolarHBondContact O-CB 3.46Å; Y147-K150 PolarHBondContact O-N 3.1Å; Y147-I161 HydrophobicContact CD1-CD1 4.06Å; Y147-I161 HydrophobicContact CD1-CG1 3.75Å; Y147-I161 HydrophobicContact CE1-CD1 3.51Å; Y147-I161 HydrophobicContact CE1-CG1 3.72Å; Y147-I161 HydrophobicContact CE1-CG2 4.27Å
148	V	98.2	Very high	95.3	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.042	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-26.8	-177.2	74.5	0	0	0	0	112.6	S146 V154 D170 L173 R174 F185	S146-V148 VanDerWaalsContact OG-CB 3.31Å; S146-V148 WeakPolarHBondContact OG-CB 3.36Å; S146-V148 WeakPolarHBondContact OG-CG1 3.25Å; S146-V148 PolarHBondContact OG-N 3.38Å; V148-V154 HydrophobicContact CG2-CG2 4.13Å; V148-V154 WeakPolarHBondContact O-CG2 3.16Å; V148-D170 HydrophobicContact CB-CB 4.07Å; V148-D170 HydrophobicContact CG2-CB 3.84Å; V148-L173 HydrophobicContact CB-CD1 4.49Å; V148-L173 HydrophobicContact CG1-CB 4.39Å; V148-L173 HydrophobicContact CG1-CD1 3.99Å; V148-R174 HydrophobicContact CG2-CG 3.79Å; V148-F185 HydrophobicContact CG1-CE1 4.4Å; V148-F185 HydrophobicContact CG1-CZ 3.94Å
149	N	97.9	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	14.9	-178.6	-159.9	47	0	0	0	114.1	Y147 E151 F152 V154 C155 Y158 P159 P160	Y147-N149 PolarHBondContact O-N 3.12Å; N149-E151 PolarHBondContact O-N 3.23Å; N149-F152 WeakPolarHBondContact O-CA 3.3Å; N149-F152 PolarHBondContact O-N 3.3Å; N149-F152 WeakPolarHBondContact OD1-CA 3.24Å; N149-V154 PolarHBondContact OD1-N 3.5Å; N149-C155 PolarHBondContact ND2-O 3.18Å; N149-C155 PolarHBondContact OD1-N 3.36Å; N149-C155 PolarHBondContact OD1-O 3.25Å; N149-Y158 PolarHBondContact ND2-O 2.97Å; N149-P159 PolarHBondContact ND2-O 2.97Å; N149-P160 CarbonylContact C-O 3.13Å; N149-P160 VanDerWaalsContact C-O 3.31Å; N149-P160 WeakPolarHBondContact O-CA 3.31Å
150	K	97.1	Very high	96.3	Very high	144 Å²	144	48 Å²	48	63%	0.626	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.3	-175.8	-176.7	176	179.3	178.4	0	114	Y147 P160	Y147-K150 VanDerWaalsContact O-CB 3.31Å; Y147-K150 WeakPolarHBondContact O-CB 3.46Å; Y147-K150 PolarHBondContact O-N 3.1Å; K150-P160 WeakPolarHBondContact CA-O 3.43Å; K150-P160 PolarHBondContact N-O 2.98Å; K150-P160 VanDerWaalsContact N-O 3.15Å
151	E	96.7	Very high	96.7	Very high	169 Å²	169	47.9 Å²	47.9	79%	0.79	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	11.9	179.2	-62.3	178.3	179.8	0	0	113.2	N149 A153	N149-E151 PolarHBondContact O-N 3.23Å; E151-A153 PolarHBondContact O-N 3.39Å; E151-A153 VanDerWaalsContact O-N 3.07Å
152	F	97.4	Very high	96.9	Very high	30 Å²	30	43.8 Å²	43.8	13%	0.132	22%	0.224	C	C	.	.	S	Bend	trans	61.7	11.3	-178.7	-54.6	-75	0	0	0	115.5	N149 V154 P156 P160 E442 C446	N149-F152 WeakPolarHBondContact O-CA 3.3Å; N149-F152 PolarHBondContact O-N 3.3Å; N149-F152 WeakPolarHBondContact OD1-CA 3.24Å; F152-V154 PolarHBondContact O-N 3.43Å; F152-P156 WeakPolarHBondContact O-CG 3.31Å; F152-P160 HydrophobicContact CE1-CB 4.37Å; F152-P160 HydrophobicContact CZ-CB 4.22Å; F152-P160 HydrophobicContact CZ-CG 4.33Å; F152-E442 HydrophobicContact CE1-CB 3.94Å; F152-E442 HydrophobicContact CE1-CG 3.97Å; F152-E442 HydrophobicContact CZ-CB 4.47Å; F152-E442 HydrophobicContact CZ-CG 4.12Å; F152-C446 HydrophobicContact CE2-CB 4.15Å; F152-C446 HydrophobicContact CZ-CB 4.36Å
153	A	96.4	Very high	97.1	Very high	82 Å²	82	40.6 Å²	40.6	68%	0.678	21%	0.211	S	C	*	.	S	Bend	trans	-72.3	-25.4	-176.6	0	0	0	0	0	113.9	E151	E151-A153 PolarHBondContact O-N 3.39Å; E151-A153 VanDerWaalsContact O-N 3.07Å
154	V	97.6	Very high	97.2	Very high	20 Å²	20	39.6 Å²	39.6	12%	0.121	21%	0.207	C	C	.	.	S	Bend	trans	-89.6	-42.8	-176.8	178.2	0	0	0	0	111.2	V148 N149 F152 R174 A177 F185	V148-V154 HydrophobicContact CG2-CG2 4.13Å; V148-V154 WeakPolarHBondContact O-CG2 3.16Å; N149-V154 PolarHBondContact OD1-N 3.5Å; F152-V154 PolarHBondContact O-N 3.43Å; V154-R174 HydrophobicContact CG2-CG 4.15Å; V154-A177 HydrophobicContact CG1-CB 3.34Å; V154-F185 HydrophobicContact CG1-CD1 4.26Å; V154-F185 HydrophobicContact CG1-CE1 3.81Å
155	C	98.1	Very high	97.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.			trans	-149.3	98.3	178.2	-178.6	0	0	0	0	109.4	N149 S157 Y158 G182 G183 R184	N149-C155 PolarHBondContact ND2-O 3.18Å; N149-C155 PolarHBondContact OD1-N 3.36Å; N149-C155 PolarHBondContact OD1-O 3.25Å; C155-S157 PolarHBondContact O-N 3.03Å; C155-S157 VanDerWaalsContact O-N 3.07Å; C155-S157 PolarHBondContact SG-OG 3.3Å; C155-S157 VanDerWaalsContact SG-OG 3.38Å; C155-Y158 HydrophobicContact CB-CD2 4.07Å; C155-Y158 HydrophobicContact CB-CG 4.16Å; C155-Y158 PolarHBondContact O-N 3.49Å; C155-Y158 VanDerWaalsContact O-N 3.08Å; C155-Y158 VanDerWaalsContact SG-CG 3.52Å; C155-G182 PolarHBondContact SG-O 3.15Å; C155-G183 WeakPolarHBondContact CB-O 3.08Å; C155-R184 WeakPolarHBondContact SG-CG 3.27Å
156	P	96.3	Very high	97.2	Very high	66 Å²	66	42.1 Å²	42.1	43%	0.429	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-24.4	-178.5	-25.2	33.5	0	0	0	114.3	F152 N441 S443	F152-P156 WeakPolarHBondContact O-CG 3.31Å; P156-N441 PolarHBondContact O-OD1 2.96Å; P156-S443 VanDerWaalsContact O-CB 3.25Å; P156-S443 WeakPolarHBondContact O-CB 3.27Å
157	S	96.5	Very high	97.2	Very high	21 Å²	21	45.9 Å²	45.9	15%	0.147	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.5	-178.4	62	0	0	0	0	114.5	C155 R184 A372 G373	C155-S157 PolarHBondContact O-N 3.03Å; C155-S157 VanDerWaalsContact O-N 3.07Å; C155-S157 PolarHBondContact SG-OG 3.3Å; C155-S157 VanDerWaalsContact SG-OG 3.38Å; S157-R184 VanDerWaalsContact CB-NH1 3.31Å; S157-R184 PolarHBondContact O-NH1 2.99Å; S157-R184 WeakPolarHBondContact OG-CD 3.29Å; S157-R184 WeakPolarHBondContact OG-CG 3.41Å; S157-R184 PolarHBondContact OG-NH1 3.27Å; S157-A372 CarbonylContact O-C 3.59Å; S157-A372 VanDerWaalsContact O-O 3.1Å; S157-G373 WeakPolarHBondContact O-CA 3.4Å
158	Y	97.3	Very high	97.2	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	22%	0.223	C	C	.	.	S	Bend	trans	-99.7	161.3	173.3	-88.9	-1	0	0	0	111.3	N149 C155 V162 R184 F185 V187 R201	N149-Y158 PolarHBondContact ND2-O 2.97Å; C155-Y158 HydrophobicContact CB-CD2 4.07Å; C155-Y158 HydrophobicContact CB-CG 4.16Å; C155-Y158 PolarHBondContact O-N 3.49Å; C155-Y158 VanDerWaalsContact O-N 3.08Å; C155-Y158 VanDerWaalsContact SG-CG 3.52Å; Y158-V162 HydrophobicContact CD2-CG1 4.18Å; Y158-R184 HydrophobicContact CD1-CG 4.39Å; Y158-R184 VanDerWaalsContact CD1-NH1 3.3Å; Y158-R184 HydrophobicContact CE1-CB 4.15Å; Y158-R184 HydrophobicContact CE1-CG 4.08Å; Y158-R184 VanDerWaalsContact CE1-CZ 3.4Å; Y158-R184 HydrophobicContact CE2-CB 4.39Å; Y158-F185 HydrophobicContact CD2-CE1 4.39Å; Y158-F185 HydrophobicContact CD2-CZ 4.5Å; Y158-F185 VanDerWaalsContact CE2-O 3.28Å; Y158-F185 WeakPolarHBondContact CE2-O 3.24Å; Y158-F185 PolarHBondContact OH-O 3.34Å; Y158-V187 HydrophobicContact CD2-CG1 4.2Å; Y158-V187 HydrophobicContact CE1-CG2 4.42Å; Y158-V187 HydrophobicContact CE2-CB 4.45Å; Y158-V187 HydrophobicContact CE2-CG1 3.6Å; Y158-V187 HydrophobicContact CE2-CG2 3.99Å; Y158-R201 PolarHBondContact OH-O 3.46Å
159	P	95.9	Very high	97.2	Very high	10 Å²	10	44.3 Å²	44.3	7%	0.065	24%	0.244	C	C	.	.			trans	-67.4	164.5	174.1	27.7	-27.3	0	0	0	110.8	N149 I161 V162 Q371	N149-P159 PolarHBondContact ND2-O 2.97Å; P159-I161 WeakPolarHBondContact CG-O 3.36Å; P159-I161 PolarHBondContact O-N 2.86Å; P159-V162 HydrophobicContact CG-CG1 4.02Å; P159-Q371 HydrophobicContact CB-CB 4.11Å; P159-Q371 WeakPolarHBondContact CD-O 3.39Å; P159-Q371 HydrophobicContact CG-CB 4.23Å
160	P	96	Very high	97.2	Very high	34 Å²	34	46.7 Å²	46.7	22%	0.221	26%	0.257	C	S	.	.	S	Bend	trans	-63.2	-23.1	178.8	24.8	-33.9	0	0	0	113.1	N149 K150 F152	N149-P160 CarbonylContact C-O 3.13Å; N149-P160 VanDerWaalsContact C-O 3.31Å; N149-P160 WeakPolarHBondContact O-CA 3.31Å; K150-P160 WeakPolarHBondContact CA-O 3.43Å; K150-P160 PolarHBondContact N-O 2.98Å; K150-P160 VanDerWaalsContact N-O 3.15Å; F152-P160 HydrophobicContact CE1-CB 4.37Å; F152-P160 HydrophobicContact CZ-CB 4.22Å; F152-P160 HydrophobicContact CZ-CG 4.33Å
161	I	97.1	Very high	97.3	Very high	18 Å²	18	45 Å²	45	9%	0.092	25%	0.251	C	S	.	.	S	Bend	trans	-127.8	130.3	-177	-51.8	172.4	0	0	0	108.4	E130 L145 S146 Y147 P159	E130-I161 WeakPolarHBondContact OE1-CD1 3.49Å; L145-I161 HydrophobicContact CB-CG2 4.01Å; L145-I161 HydrophobicContact CD1-CG2 4.47Å; L145-I161 HydrophobicContact CD2-CG2 3.88Å; L145-I161 HydrophobicContact CG-CG2 4.35Å; S146-I161 WeakPolarHBondContact O-CA 3.45Å; Y147-I161 HydrophobicContact CD1-CD1 4.06Å; Y147-I161 HydrophobicContact CD1-CG1 3.75Å; Y147-I161 HydrophobicContact CE1-CD1 3.51Å; Y147-I161 HydrophobicContact CE1-CG1 3.72Å; Y147-I161 HydrophobicContact CE1-CG2 4.27Å; P159-I161 WeakPolarHBondContact CG-O 3.36Å; P159-I161 PolarHBondContact O-N 2.86Å
162	V	97.1	Very high	97.4	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.042	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.7	179.5	-65.8	0	0	0	0	111.7	S146 Y158 P159 V164 F185 V187	S146-V162 PolarHBondContact N-O 3.07Å; S146-V162 PolarHBondContact O-N 3.43Å; S146-V162 VanDerWaalsContact O-N 3.09Å; Y158-V162 HydrophobicContact CD2-CG1 4.18Å; P159-V162 HydrophobicContact CG-CG1 4.02Å; V162-V164 HydrophobicContact CG2-CG1 4.11Å; V162-F185 HydrophobicContact CG2-CE2 3.96Å; V162-F185 HydrophobicContact CG2-CZ 3.81Å; V162-V187 HydrophobicContact CB-CG1 3.88Å; V162-V187 HydrophobicContact CG1-CG1 4.14Å; V162-V187 HydrophobicContact CG2-CG1 4.19Å
163	T	97.5	Very high	97.4	Very high	21 Å²	21	35.9 Å²	35.9	13%	0.129	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.7	177.9	-57	0	0	0	0	110.9	F133 W143 L188	F133-T163 HydrophobicContact CD2-CG2 3.69Å; F133-T163 HydrophobicContact CE2-CG2 3.78Å; W143-T163 HydrophobicContact CB-CG2 4.07Å; W143-T163 HydrophobicContact CD2-CG2 4.47Å; W143-T163 HydrophobicContact CE3-CG2 3.97Å; T163-L188 HydrophobicContact CG2-CB 3.97Å; T163-L188 HydrophobicContact CG2-CD2 3.6Å; T163-L188 HydrophobicContact CG2-CG 4.42Å; T163-L188 PolarHBondContact O-N 2.91Å
164	V	97.8	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.8	-174.1	-64	0	0	0	0	111.2	W143 R144 V162 K166 L173 F185 V187	W143-V164 WeakPolarHBondContact CA-O 3.28Å; R144-V164 HydrophobicContact CG-CG2 3.84Å; R144-V164 PolarHBondContact N-O 3.26Å; R144-V164 PolarHBondContact O-N 3.01Å; V162-V164 HydrophobicContact CG2-CG1 4.11Å; V164-K166 PolarHBondContact O-N 3.02Å; V164-L173 HydrophobicContact CB-CD1 4.44Å; V164-L173 HydrophobicContact CG1-CD1 4.02Å; V164-L173 HydrophobicContact CG1-CD2 4.12Å; V164-L173 HydrophobicContact CG2-CD1 4.1Å; V164-F185 HydrophobicContact CG1-CE2 4.02Å; V164-V187 HydrophobicContact CG1-CG1 4.48Å
165	P	97.6	Very high	97.6	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137	176.4	-22.9	35.3	0	0	0	111.7	W143 S167 I168 L220 A223 T224	W143-P165 HydrophobicContact CE3-CG 4.36Å; W143-P165 HydrophobicContact CH2-CG 4.06Å; W143-P165 HydrophobicContact CZ3-CG 3.81Å; P165-S167 PolarHBondContact O-N 3.32Å; P165-I168 HydrophobicContact CB-CG1 4.1Å; P165-I168 HydrophobicContact CG-CG1 4.44Å; P165-I168 PolarHBondContact O-N 2.89Å; P165-I168 VanDerWaalsContact O-N 3.11Å; P165-L220 HydrophobicContact CG-CD1 4.05Å; P165-A223 HydrophobicContact CB-CB 4.03Å; P165-A223 HydrophobicContact CG-CB 4.28Å; P165-T224 HydrophobicContact CG-CG2 3.71Å
166	K	96.9	Very high	97.6	Very high	131 Å²	131	40.3 Å²	40.3	57%	0.57	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.4	-177.1	-175.7	174.2	178.7	178.1	0	113.4	S141 E142 R144 V164 I168	S141-K166 WeakPolarHBondContact O-CD 3.37Å; E142-K166 VanDerWaalsContact O-CB 3.3Å; E142-K166 WeakPolarHBondContact O-CB 3.49Å; E142-K166 PolarHBondContact O-N 2.82Å; R144-K166 HydrophobicContact CB-CB 4.49Å; V164-K166 PolarHBondContact O-N 3.02Å; K166-I168 VanDerWaalsContact C-N 3.27Å; K166-I168 PolarHBondContact O-N 3.3Å
167	S	97.2	Very high	97.7	Very high	80 Å²	80	37.6 Å²	37.6	56%	0.559	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.7	179.7	58.9	0	0	0	0	114.5	P165	P165-S167 PolarHBondContact O-N 3.32Å
168	I	98.3	Very high	97.8	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.211	C	C	.	.	S	Bend	trans	-103.8	125.9	178.8	-54.3	-61	0	0	0	108.3	R144 P165 K166 A172 L173 K219 L220 A223	R144-I168 VanDerWaalsContact CZ-O 3.27Å; R144-I168 PolarHBondContact NE-O 3.2Å; R144-I168 PolarHBondContact NH2-O 3.36Å; P165-I168 HydrophobicContact CB-CG1 4.1Å; P165-I168 HydrophobicContact CG-CG1 4.44Å; P165-I168 PolarHBondContact O-N 2.89Å; P165-I168 VanDerWaalsContact O-N 3.11Å; K166-I168 VanDerWaalsContact C-N 3.27Å; K166-I168 PolarHBondContact O-N 3.3Å; I168-A172 HydrophobicContact CG2-CB 3.88Å; I168-L173 HydrophobicContact CG2-CD2 3.87Å; I168-L173 HydrophobicContact CG2-CG 4.19Å; I168-K219 HydrophobicContact CD1-CD 4.09Å; I168-K219 HydrophobicContact CD1-CG 3.88Å; I168-L220 HydrophobicContact CB-CD1 4.3Å; I168-L220 HydrophobicContact CG1-CD1 3.89Å; I168-L220 HydrophobicContact CG2-CD1 4.16Å; I168-A223 HydrophobicContact CD1-CB 4.04Å; I168-A223 HydrophobicContact CG1-CB 4.09Å
169	D	98.1	Very high	97.9	Very high	89 Å²	89	40.7 Å²	40.7	48%	0.476	21%	0.211	S	C	.	.			trans	-85.4	164.5	176.7	59.3	45.8	0	0	0	112.2	E171 A172 L173	D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 2.87Å; D169-E171 PolarHBondContact OD1-N 3.08Å; D169-A172 PolarHBondContact O-N 3.35Å; D169-A172 VanDerWaalsContact OD1-CB 3.28Å; D169-A172 WeakPolarHBondContact OD1-CB 3.37Å; D169-A172 PolarHBondContact OD1-N 2.85Å; D169-L173 WeakPolarHBondContact O-CG 3.43Å; D169-L173 PolarHBondContact O-N 3.15Å
170	D	98.5	Very high	98	Very high	50 Å²	50	40.2 Å²	40.2	27%	0.267	21%	0.208	S	C	.	.	H	α-helix	trans	-67.6	-25	-177	-76.4	-2.6	0	0	0	112.9	R144 S146 V148 L173 R174	R144-D170 IonicContact CZ-OD1 3.67Å; R144-D170 VanDerWaalsContact CZ-OD1 3.28Å; R144-D170 IonicContact NH1-OD1 3.64Å; R144-D170 PolarHBondContact NH1-OD1 2.94Å; R144-D170 IonicContact NH2-OD1 3.5Å; R144-D170 PolarHBondContact NH2-OD1 3.38Å; S146-D170 WeakPolarHBondContact CB-OD1 3.37Å; S146-D170 PolarHBondContact OG-OD1 2.76Å; V148-D170 HydrophobicContact CB-CB 4.07Å; V148-D170 HydrophobicContact CG2-CB 3.84Å; D170-L173 PolarHBondContact O-N 2.99Å; D170-R174 WeakPolarHBondContact O-CG 3.22Å; D170-R174 PolarHBondContact O-N 3.15Å
171	E	98.4	Very high	98.1	Very high	108 Å²	108	41.5 Å²	41.5	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-69.9	-42.1	176.3	-179.8	54.6	-151.6	0	0	111.3	D169 L173 R174 K175	D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 2.87Å; D169-E171 PolarHBondContact OD1-N 3.08Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.89Å; E171-R174 PolarHBondContact O-N 2.82Å; E171-K175 PolarHBondContact O-N 2.75Å
172	A	98.5	Very high	98.1	Very high	8 Å²	8	42.9 Å²	42.9	7%	0.066	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-44.5	170.7	0	0	0	0	0	110.9	I168 D169 R174 K175 V176 E216	I168-A172 HydrophobicContact CG2-CB 3.88Å; D169-A172 PolarHBondContact O-N 3.35Å; D169-A172 VanDerWaalsContact OD1-CB 3.28Å; D169-A172 WeakPolarHBondContact OD1-CB 3.37Å; D169-A172 PolarHBondContact OD1-N 2.85Å; A172-R174 VanDerWaalsContact C-N 3.33Å; A172-R174 PolarHBondContact O-N 3.32Å; A172-K175 WeakPolarHBondContact O-CB 3.36Å; A172-K175 PolarHBondContact O-N 3.07Å; A172-K175 VanDerWaalsContact O-N 3.12Å; A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 2.91Å; A172-E216 HydrophobicContact CB-CB 4.31Å; A172-E216 HydrophobicContact CB-CG 4.15Å
173	L	98.7	Very high	98.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-41.7	177.4	-62.8	177.1	0	0	0	112.4	V148 V164 I168 D169 D170 E171 K175 V176 A177 F185 L220	V148-L173 HydrophobicContact CB-CD1 4.49Å; V148-L173 HydrophobicContact CG1-CB 4.39Å; V148-L173 HydrophobicContact CG1-CD1 3.99Å; V164-L173 HydrophobicContact CB-CD1 4.44Å; V164-L173 HydrophobicContact CG1-CD1 4.02Å; V164-L173 HydrophobicContact CG1-CD2 4.12Å; V164-L173 HydrophobicContact CG2-CD1 4.1Å; I168-L173 HydrophobicContact CG2-CD2 3.87Å; I168-L173 HydrophobicContact CG2-CG 4.19Å; D169-L173 WeakPolarHBondContact O-CG 3.43Å; D169-L173 PolarHBondContact O-N 3.15Å; D170-L173 PolarHBondContact O-N 2.99Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 2.89Å; L173-K175 VanDerWaalsContact C-N 3.3Å; L173-K175 PolarHBondContact O-N 3.5Å; L173-V176 PolarHBondContact O-N 3.25Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 2.87Å; L173-F185 HydrophobicContact CD1-CE2 4.28Å; L173-F185 HydrophobicContact CD2-CD2 3.97Å; L173-F185 HydrophobicContact CD2-CE2 3.94Å; L173-F185 HydrophobicContact CG-CE2 4.48Å; L173-L220 HydrophobicContact CD2-CD1 4.18Å; L173-L220 HydrophobicContact CD2-CD2 4.13Å
174	R	98.7	Very high	98.2	Very high	110 Å²	110	42.1 Å²	42.1	42%	0.415	23%	0.226	S	C	.	.	H	α-helix	trans	-58.5	-43.2	175.5	-70.8	178.2	-167.3	-68.8	-5	111.4	V148 V154 D170 E171 A172 A177 T178	V148-R174 HydrophobicContact CG2-CG 3.79Å; V154-R174 HydrophobicContact CG2-CG 4.15Å; D170-R174 WeakPolarHBondContact O-CG 3.22Å; D170-R174 PolarHBondContact O-N 3.15Å; E171-R174 PolarHBondContact O-N 2.82Å; A172-R174 VanDerWaalsContact C-N 3.33Å; A172-R174 PolarHBondContact O-N 3.32Å; R174-A177 WeakPolarHBondContact O-CB 3.45Å; R174-A177 PolarHBondContact O-N 2.81Å; R174-T178 WeakPolarHBondContact O-CG2 3.49Å; R174-T178 PolarHBondContact O-N 3.06Å
175	K	98.7	Very high	98.2	Very high	86 Å²	86	42.1 Å²	42.1	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-64.2	-44.4	175.9	-66.1	173.4	178.6	175.2	0	112.1	E171 A172 L173 A177 T178 F179 E216	E171-K175 PolarHBondContact O-N 2.75Å; A172-K175 WeakPolarHBondContact O-CB 3.36Å; A172-K175 PolarHBondContact O-N 3.07Å; A172-K175 VanDerWaalsContact O-N 3.12Å; L173-K175 VanDerWaalsContact C-N 3.3Å; L173-K175 PolarHBondContact O-N 3.5Å; K175-A177 VanDerWaalsContact C-N 3.3Å; K175-A177 PolarHBondContact O-N 2.85Å; K175-T178 PolarHBondContact O-N 2.89Å; K175-T178 VanDerWaalsContact O-N 3.16Å; K175-T178 PolarHBondContact O-OG1 3.1Å; K175-F179 PolarHBondContact O-N 2.81Å; K175-E216 HydrophobicContact CB-CB 4.39Å; K175-E216 HydrophobicContact CB-CG 4.31Å; K175-E216 VanDerWaalsContact CD-CD 3.5Å; K175-E216 HydrophobicContact CD-CG 3.83Å; K175-E216 WeakPolarHBondContact CD-OE1 3.49Å; K175-E216 IonicContact NZ-OE1 2.92Å; K175-E216 PolarHBondContact NZ-OE1 2.87Å
176	V	98.7	Very high	98.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-40.2	176.8	-178.5	0	0	0	0	111.4	A172 L173 T178 F179 R180 F185 E216 D217 L220	A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 2.91Å; L173-V176 PolarHBondContact O-N 3.25Å; V176-T178 VanDerWaalsContact C-N 3.26Å; V176-T178 PolarHBondContact O-N 3.37Å; V176-F179 CarbonylContact O-C 3.55Å; V176-F179 WeakPolarHBondContact O-CA 3.39Å; V176-F179 WeakPolarHBondContact O-CB 3.27Å; V176-F179 PolarHBondContact O-N 2.85Å; V176-R180 HydrophobicContact CG1-CG 3.95Å; V176-R180 PolarHBondContact O-N 2.74Å; V176-F185 HydrophobicContact CB-CB 4.13Å; V176-F185 HydrophobicContact CG1-CB 3.58Å; V176-E216 VanDerWaalsContact CG2-C 3.44Å; V176-E216 HydrophobicContact CG2-CB 3.76Å; V176-D217 HydrophobicContact CG1-CB 4.02Å; V176-D217 WeakPolarHBondContact CG1-OD1 3.39Å; V176-D217 HydrophobicContact CG2-CB 4.18Å; V176-L220 HydrophobicContact CB-CD2 4.42Å; V176-L220 HydrophobicContact CG1-CD2 3.99Å; V176-L220 HydrophobicContact CG2-CB 4.49Å; V176-L220 HydrophobicContact CG2-CD2 4.22Å
177	A	98.6	Very high	98.3	Very high	9 Å²	9	36.1 Å²	36.1	7%	0.074	20%	0.2	C	C	.	.	H	α-helix	trans	-57.6	-39	176.4	0	0	0	0	0	112	V154 L173 R174 K175 F179 R180 G183 F185	V154-A177 HydrophobicContact CG1-CB 3.34Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 2.87Å; R174-A177 WeakPolarHBondContact O-CB 3.45Å; R174-A177 PolarHBondContact O-N 2.81Å; K175-A177 VanDerWaalsContact C-N 3.3Å; K175-A177 PolarHBondContact O-N 2.85Å; A177-F179 PolarHBondContact O-N 2.98Å; A177-R180 PolarHBondContact O-N 3.48Å; A177-G183 WeakPolarHBondContact O-CA 3.42Å; A177-F185 HydrophobicContact CB-CD1 3.93Å
178	T	98.4	Very high	98.4	Very high	86 Å²	86	33 Å²	33	53%	0.528	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.2	175	75.4	0	0	0	0	114.5	R174 K175 V176 R212	R174-T178 WeakPolarHBondContact O-CG2 3.49Å; R174-T178 PolarHBondContact O-N 3.06Å; K175-T178 PolarHBondContact O-N 2.89Å; K175-T178 VanDerWaalsContact O-N 3.16Å; K175-T178 PolarHBondContact O-OG1 3.1Å; V176-T178 VanDerWaalsContact C-N 3.26Å; V176-T178 PolarHBondContact O-N 3.37Å; T178-R212 PolarHBondContact O-NH1 2.89Å
179	F	98.5	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-14.8	178.4	-178.6	-111.7	0	0	0	112.8	K175 V176 A177 P205 L206 T207 R212 C214 D217	K175-F179 PolarHBondContact O-N 2.81Å; V176-F179 CarbonylContact O-C 3.55Å; V176-F179 WeakPolarHBondContact O-CA 3.39Å; V176-F179 WeakPolarHBondContact O-CB 3.27Å; V176-F179 PolarHBondContact O-N 2.85Å; A177-F179 PolarHBondContact O-N 2.98Å; F179-P205 HydrophobicContact CD1-CB 4.26Å; F179-P205 HydrophobicContact CE1-CB 3.52Å; F179-P205 HydrophobicContact CZ-CB 3.76Å; F179-P205 CarbonylContact O-C 3.52Å; F179-L206 VanDerWaalsContact O-CB 3.3Å; F179-L206 WeakPolarHBondContact O-CB 3.24Å; F179-L206 VanDerWaalsContact O-CG 3.31Å; F179-L206 WeakPolarHBondContact O-CG 3.28Å; F179-L206 PolarHBondContact O-N 2.91Å; F179-T207 HydrophobicContact CE2-CG2 4.27Å; F179-T207 HydrophobicContact CZ-CG2 3.77Å; F179-R212 HydrophobicContact CD2-CG 4.39Å; F179-R212 HydrophobicContact CE2-CB 4.46Å; F179-R212 HydrophobicContact CE2-CG 4.23Å; F179-R212 WeakPolarHBondContact CE2-O 3.42Å; F179-C214 HydrophobicContact CB-CB 3.78Å; F179-C214 HydrophobicContact CD1-CB 3.44Å; F179-C214 VanDerWaalsContact CD1-CB 3.44Å; F179-C214 HydrophobicContact CD2-CB 3.87Å; F179-C214 HydrophobicContact CE1-CB 3.92Å; F179-C214 HydrophobicContact CE2-CB 4.31Å; F179-C214 HydrophobicContact CG-CB 3.39Å; F179-C214 HydrophobicContact CZ-CB 4.32Å; F179-D217 HydrophobicContact CD1-CB 3.81Å; F179-D217 HydrophobicContact CE1-CB 4.15Å
180	R	98.5	Very high	98.3	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-106.6	136.7	-178.8	-71	-87.3	-177.5	-175.6	-7	110.2	V176 A177 G182 G183 S202 G203 D217 E253	V176-R180 HydrophobicContact CG1-CG 3.95Å; V176-R180 PolarHBondContact O-N 2.74Å; A177-R180 PolarHBondContact O-N 3.48Å; R180-G182 PolarHBondContact O-N 2.83Å; R180-G183 PolarHBondContact O-N 2.91Å; R180-S202 PolarHBondContact NH1-OG 2.66Å; R180-G203 WeakPolarHBondContact CD-O 3.46Å; R180-G203 PolarHBondContact NH1-O 2.55Å; R180-G203 VanDerWaalsContact NH1-O 3.11Å; R180-D217 IonicContact CZ-OD1 2.69Å; R180-D217 IonicContact CZ-OD2 3.91Å; R180-D217 IonicContact NE-OD1 3.78Å; R180-D217 PolarHBondContact NE-OD1 3.12Å; R180-D217 IonicContact NE-OD2 2.84Å; R180-D217 IonicContact NH2-OD1 3.5Å; R180-D217 PolarHBondContact NH2-OD1 3.31Å; R180-D217 IonicContact NH2-OD2 2.66Å; R180-D217 PolarHBondContact NH2-OD2 2.79Å; R180-E253 IonicContact CZ-OE1 3.28Å; R180-E253 VanDerWaalsContact CZ-OE1 3.24Å; R180-E253 IonicContact NH1-OE1 2.91Å; R180-E253 PolarHBondContact NH1-OE1 3.44Å; R180-E253 IonicContact NH2-OE1 2.71Å; R180-E253 PolarHBondContact NH2-OE1 2.99Å
181	H	98.1	Very high	98.2	Very high	60 Å²	60	27.1 Å²	27.1	28%	0.278	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-56.5	128.9	-176	-174.5	82.8	0	0	0	111.4	G183 R184 Q204 L206	H181-G183 PolarHBondContact O-N 2.9Å; H181-R184 PolarHBondContact O-N 3.45Å; H181-Q204 HydrophobicContact CB-CG 3.7Å; H181-Q204 WeakPolarHBondContact CB-O 3.2Å; H181-Q204 PolarHBondContact N-O 2.78Å; H181-L206 HydrophobicContact CB-CD2 4.06Å
182	G	97.1	Very high	98	Very high	47 Å²	47	22.1 Å²	22.1	49%	0.485	12%	0.122	S	C	.	.	G	3₁₀ helix	trans	67.2	14.1	-177.6	0	0	0	0	0	115.3	C155 R180 R184	C155-G182 PolarHBondContact SG-O 3.15Å; R180-G182 PolarHBondContact O-N 2.83Å; G182-R184 PolarHBondContact O-N 2.88Å
183	G	98.1	Very high	97.7	Very high	9 Å²	9	26.9 Å²	26.9	9%	0.093	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	78.8	3.6	-174.6	0	0	0	0	0	114	C155 A177 R180 H181 F185	C155-G183 WeakPolarHBondContact CB-O 3.08Å; A177-G183 WeakPolarHBondContact O-CA 3.42Å; R180-G183 PolarHBondContact O-N 2.91Å; H181-G183 PolarHBondContact O-N 2.9Å; G183-F185 VanDerWaalsContact C-N 3.29Å; G183-F185 WeakPolarHBondContact O-CD1 3.25Å; G183-F185 PolarHBondContact O-N 2.98Å
184	R	98.5	Very high	97.4	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.015	17%	0.17	C	C	.	.			trans	-80.4	72.5	-171.5	-64.5	175.9	70.4	80	-2.8	111.5	C155 S157 Y158 H181 G182 S202 G203 E335 G336 T337 A372	C155-R184 WeakPolarHBondContact SG-CG 3.27Å; S157-R184 VanDerWaalsContact CB-NH1 3.31Å; S157-R184 PolarHBondContact O-NH1 2.99Å; S157-R184 WeakPolarHBondContact OG-CD 3.29Å; S157-R184 WeakPolarHBondContact OG-CG 3.41Å; S157-R184 PolarHBondContact OG-NH1 3.27Å; Y158-R184 HydrophobicContact CD1-CG 4.39Å; Y158-R184 VanDerWaalsContact CD1-NH1 3.3Å; Y158-R184 HydrophobicContact CE1-CB 4.15Å; Y158-R184 HydrophobicContact CE1-CG 4.08Å; Y158-R184 VanDerWaalsContact CE1-CZ 3.4Å; Y158-R184 HydrophobicContact CE2-CB 4.39Å; H181-R184 PolarHBondContact O-N 3.45Å; G182-R184 PolarHBondContact O-N 2.88Å; R184-S202 WeakPolarHBondContact O-CA 3.27Å; R184-S202 VanDerWaalsContact O-CB 3.3Å; R184-S202 WeakPolarHBondContact O-CB 3.34Å; R184-G203 PolarHBondContact O-N 3.41Å; R184-E335 WeakPolarHBondContact CD-O 3.47Å; R184-E335 PolarHBondContact NE-O 3.32Å; R184-G336 PolarHBondContact NH2-O 3.48Å; R184-T337 VanDerWaalsContact CZ-CG2 3.5Å; R184-A372 VanDerWaalsContact CZ-O 3.27Å; R184-A372 PolarHBondContact NH1-O 3Å; R184-A372 PolarHBondContact NH2-O 2.92Å
185	F	98.6	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.			trans	-66.6	155.2	177.5	58.6	-93.9	0	0	0	112.3	V148 V154 Y158 V162 V164 L173 V176 A177 G183 V187	V148-F185 HydrophobicContact CG1-CE1 4.4Å; V148-F185 HydrophobicContact CG1-CZ 3.94Å; V154-F185 HydrophobicContact CG1-CD1 4.26Å; V154-F185 HydrophobicContact CG1-CE1 3.81Å; Y158-F185 HydrophobicContact CD2-CE1 4.39Å; Y158-F185 HydrophobicContact CD2-CZ 4.5Å; Y158-F185 VanDerWaalsContact CE2-O 3.28Å; Y158-F185 WeakPolarHBondContact CE2-O 3.24Å; Y158-F185 PolarHBondContact OH-O 3.34Å; V162-F185 HydrophobicContact CG2-CE2 3.96Å; V162-F185 HydrophobicContact CG2-CZ 3.81Å; V164-F185 HydrophobicContact CG1-CE2 4.02Å; L173-F185 HydrophobicContact CD1-CE2 4.28Å; L173-F185 HydrophobicContact CD2-CD2 3.97Å; L173-F185 HydrophobicContact CD2-CE2 3.94Å; L173-F185 HydrophobicContact CG-CE2 4.48Å; V176-F185 HydrophobicContact CB-CB 4.13Å; V176-F185 HydrophobicContact CG1-CB 3.58Å; A177-F185 HydrophobicContact CB-CD1 3.93Å; G183-F185 VanDerWaalsContact C-N 3.29Å; G183-F185 WeakPolarHBondContact O-CD1 3.25Å; G183-F185 PolarHBondContact O-N 2.98Å; F185-V187 HydrophobicContact CD2-CG1 3.82Å; F185-V187 HydrophobicContact CE2-CG1 3.55Å; F185-V187 HydrophobicContact CZ-CG1 4.36Å; F185-V187 PolarHBondContact O-N 3.23Å
186	P	98.7	Very high	97	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.013	15%	0.15	C	C	.	.			trans	-52.7	120.2	176.9	-28.5	35.5	0	0	0	113.5	M200 R201 L220 I221 L330	P186-M200 HydrophobicContact CB-SD 4.21Å; P186-R201 WeakPolarHBondContact CA-O 3.39Å; P186-L220 HydrophobicContact CB-CD2 4.06Å; P186-L220 HydrophobicContact CB-CG 4.46Å; P186-L220 HydrophobicContact CG-CD2 4.17Å; P186-I221 HydrophobicContact CB-CG2 4.06Å; P186-I221 HydrophobicContact CG-CG2 3.7Å; P186-L330 HydrophobicContact CB-CD1 4.04Å; P186-L330 HydrophobicContact CG-CD1 4.21Å; P186-L330 HydrophobicContact CG-CD2 4.43Å
187	V	98.3	Very high	96.9	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	154.3	175	-65	0	0	0	0	110.6	Y158 V162 V164 F185 S189 M200 R201	Y158-V187 HydrophobicContact CD2-CG1 4.2Å; Y158-V187 HydrophobicContact CE1-CG2 4.42Å; Y158-V187 HydrophobicContact CE2-CB 4.45Å; Y158-V187 HydrophobicContact CE2-CG1 3.6Å; Y158-V187 HydrophobicContact CE2-CG2 3.99Å; V162-V187 HydrophobicContact CB-CG1 3.88Å; V162-V187 HydrophobicContact CG1-CG1 4.14Å; V162-V187 HydrophobicContact CG2-CG1 4.19Å; V164-V187 HydrophobicContact CG1-CG1 4.48Å; F185-V187 HydrophobicContact CD2-CG1 3.82Å; F185-V187 HydrophobicContact CE2-CG1 3.55Å; F185-V187 HydrophobicContact CZ-CG1 4.36Å; F185-V187 PolarHBondContact O-N 3.23Å; V187-S189 PolarHBondContact O-N 2.94Å; V187-M200 VanDerWaalsContact O-CA 3.24Å; V187-M200 WeakPolarHBondContact O-CA 3.36Å; V187-R201 HydrophobicContact CG2-CG 3.83Å; V187-R201 PolarHBondContact N-O 3.19Å; V187-R201 VanDerWaalsContact N-O 3.11Å; V187-R201 PolarHBondContact O-N 3.31Å; V187-R201 VanDerWaalsContact O-N 3.08Å
188	L	97.9	Very high	96.8	Very high	15 Å²	15	27.2 Å²	27.2	8%	0.079	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	131.3	174.7	-173.6	66.3	0	0	0	110.4	W143 T163 Y190 V198	W143-L188 HydrophobicContact CD2-CD2 3.94Å; W143-L188 HydrophobicContact CE3-CB 3.94Å; W143-L188 HydrophobicContact CE3-CD1 4.45Å; W143-L188 HydrophobicContact CE3-CD2 3.96Å; W143-L188 HydrophobicContact CE3-CG 4.34Å; W143-L188 HydrophobicContact CG-CD2 4.38Å; W143-L188 HydrophobicContact CH2-CB 4.19Å; W143-L188 HydrophobicContact CH2-CD1 3.76Å; W143-L188 HydrophobicContact CH2-CG 4.43Å; W143-L188 HydrophobicContact CZ2-CD1 3.88Å; W143-L188 HydrophobicContact CZ3-CB 3.65Å; W143-L188 HydrophobicContact CZ3-CD1 4.06Å; W143-L188 HydrophobicContact CZ3-CD2 4.35Å; W143-L188 HydrophobicContact CZ3-CG 4.23Å; T163-L188 HydrophobicContact CG2-CB 3.97Å; T163-L188 HydrophobicContact CG2-CD2 3.6Å; T163-L188 HydrophobicContact CG2-CG 4.42Å; T163-L188 PolarHBondContact O-N 2.91Å; L188-Y190 WeakPolarHBondContact CD1-O 3.34Å; L188-V198 HydrophobicContact CD1-CB 3.7Å; L188-V198 HydrophobicContact CD1-CG1 3.77Å
189	S	97.3	Very high	96.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-39	171.5	173.3	0	0	0	0	111.3	V187 I199 Q348 E368	V187-S189 PolarHBondContact O-N 2.94Å; S189-I199 WeakPolarHBondContact CB-O 3.34Å; S189-I199 PolarHBondContact N-O 2.99Å; S189-Q348 PolarHBondContact OG-NE2 3.15Å; S189-E368 WeakPolarHBondContact CB-OE1 3.27Å; S189-E368 PolarHBondContact OG-OE1 3.26Å; S189-E368 PolarHBondContact OG-OE2 3.41Å; S189-E368 VanDerWaalsContact OG-OE2 3.09Å
190	Y	97.1	Very high	96.8	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.1	179.1	176.2	-107.5	0	0	0	111.9	L188 H192 V198 I199 I322 Q348 L351 E352	L188-Y190 WeakPolarHBondContact CD1-O 3.34Å; Y190-H192 HydrophobicContact CE1-CB 3.74Å; Y190-H192 PolarHBondContact OH-ND1 3.09Å; Y190-V198 CarbonylContact O-C 3.15Å; Y190-V198 VanDerWaalsContact O-CA 3.29Å; Y190-V198 WeakPolarHBondContact O-CA 3.27Å; Y190-I199 HydrophobicContact CD1-CD1 3.9Å; Y190-I199 HydrophobicContact CD1-CG1 4.04Å; Y190-I199 HydrophobicContact CG-CD1 4.35Å; Y190-I199 PolarHBondContact N-O 3.15Å; Y190-I199 VanDerWaalsContact N-O 3.15Å; Y190-I199 PolarHBondContact O-N 3.01Å; Y190-I322 HydrophobicContact CE1-CG2 4.4Å; Y190-Q348 HydrophobicContact CD2-CG 3.83Å; Y190-Q348 HydrophobicContact CG-CG 3.82Å; Y190-L351 HydrophobicContact CD1-CD1 4.16Å; Y190-L351 HydrophobicContact CE1-CB 4.26Å; Y190-L351 HydrophobicContact CE1-CD1 3.75Å; Y190-E352 HydrophobicContact CE2-CB 3.89Å; Y190-E352 HydrophobicContact CE2-CG 4.28Å
191	Y	96.3	Very high	96.8	Very high	12 Å²	12	23.7 Å²	23.7	5%	0.047	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.3	173	178.7	-91	0	0	0	110.3	Y136 A139 T140 W143 K193 V198 R226	Y136-Y191 HydrophobicContact CD1-CD1 4.33Å; Y136-Y191 HydrophobicContact CD1-CG 4.37Å; A139-Y191 HydrophobicContact CB-CE1 4.06Å; T140-Y191 HydrophobicContact CG2-CD2 4.24Å; T140-Y191 HydrophobicContact CG2-CE1 4.07Å; T140-Y191 HydrophobicContact CG2-CE2 3.71Å; W143-Y191 AromaticContact NE1-CD2 3.89Å; Y191-K193 HydrophobicContact CD1-CG 4.25Å; Y191-K193 HydrophobicContact CE1-CG 4.47Å; Y191-K193 PolarHBondContact O-N 2.69Å; Y191-V198 HydrophobicContact CD2-CG1 3.57Å; Y191-V198 HydrophobicContact CE2-CG1 4.28Å; Y191-V198 HydrophobicContact CG-CG1 4.43Å; Y191-R226 PolarHBondContact OH-NH2 3.09Å
192	H	95.3	Very high	96.9	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.019	11%	0.113	C	C	.	.			trans	-80.3	103.5	179.9	-166.6	19.8	0	0	0	111	Y190 K194 N195 G196 M197 I322 D323	Y190-H192 HydrophobicContact CE1-CB 3.74Å; Y190-H192 PolarHBondContact OH-ND1 3.09Å; H192-K194 PolarHBondContact O-N 3.03Å; H192-K194 VanDerWaalsContact O-N 3.12Å; H192-N195 WeakPolarHBondContact CB-OD1 3.42Å; H192-N195 PolarHBondContact CD2-OD1 3.37Å; H192-N195 VanDerWaalsContact CD2-OD1 3.24Å; H192-N195 PolarHBondContact O-N 3.03Å; H192-G196 WeakPolarHBondContact O-CA 3.47Å; H192-G196 PolarHBondContact O-N 3.35Å; H192-M197 WeakPolarHBondContact CB-O 3.46Å; H192-M197 PolarHBondContact N-O 2.99Å; H192-I322 HydrophobicContact CB-CG2 3.66Å; H192-I322 VanDerWaalsContact CD2-CG2 3.42Å; H192-I322 WeakPolarHBondContact CD2-CG2 3.5Å; H192-D323 IonicContact CE1-OD1 2.69Å; H192-D323 IonicContact NE2-OD1 2.68Å; H192-D323 PolarHBondContact NE2-OD1 3.5Å
193	K	92.5	Very high	96.9	Very high	108 Å²	108	18.6 Å²	18.6	47%	0.47	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.9	-175	-66.2	-178.1	178.3	-175.9	0	113.8	L135 A139 Y191	L135-K193 VanDerWaalsContact O-CE 3.26Å; L135-K193 WeakPolarHBondContact O-CE 3.3Å; L135-K193 PolarHBondContact O-NZ 3.47Å; L135-K193 VanDerWaalsContact O-NZ 3.07Å; A139-K193 HydrophobicContact CB-CG 4.43Å; Y191-K193 HydrophobicContact CD1-CG 4.25Å; Y191-K193 HydrophobicContact CE1-CG 4.47Å; Y191-K193 PolarHBondContact O-N 2.69Å
194	K	92.1	Very high	96.9	Very high	140 Å²	140	18.6 Å²	18.6	61%	0.609	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-34.6	-176	-67.4	-178.2	-176.5	170.1	0	113.5	H192	H192-K194 PolarHBondContact O-N 3.03Å; H192-K194 VanDerWaalsContact O-N 3.12Å
195	N	93.6	Very high	96.9	Very high	56 Å²	56	18.4 Å²	18.4	30%	0.299	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	0.7	-173.1	67.5	11.5	0	0	0	114.5	H192 M197 I322	H192-N195 WeakPolarHBondContact CB-OD1 3.42Å; H192-N195 PolarHBondContact CD2-OD1 3.37Å; H192-N195 VanDerWaalsContact CD2-OD1 3.24Å; H192-N195 PolarHBondContact O-N 3.03Å; N195-M197 VanDerWaalsContact O-CE 3.3Å; N195-M197 WeakPolarHBondContact O-CE 3.32Å; N195-M197 PolarHBondContact O-N 3.11Å; N195-M197 WeakPolarHBondContact OD1-CB 3.32Å; N195-M197 VanDerWaalsContact OD1-CG 3.32Å; N195-M197 WeakPolarHBondContact OD1-CG 3.3Å; N195-M197 PolarHBondContact OD1-N 3.44Å; N195-I322 PolarHBondContact ND2-O 2.87Å
196	G	94	Very high	96.9	Very high	7 Å²	7	20.6 Å²	20.6	7%	0.072	10%	0.098	C	C	.	.			trans	68.2	18.2	177.6	0	0	0	0	0	114.8	H192 R226	H192-G196 WeakPolarHBondContact O-CA 3.47Å; H192-G196 PolarHBondContact O-N 3.35Å; G196-R226 PolarHBondContact O-NE 3.39Å; G196-R226 PolarHBondContact O-NH2 3.13Å
197	M	96.6	Very high	96.8	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.03	10%	0.099	C	C	.	.			trans	-80.1	153.1	171.7	-64.1	-55.4	109.6	0	0	111.3	H192 N195 R226 I322 G326 S328	H192-M197 WeakPolarHBondContact CB-O 3.46Å; H192-M197 PolarHBondContact N-O 2.99Å; N195-M197 VanDerWaalsContact O-CE 3.3Å; N195-M197 WeakPolarHBondContact O-CE 3.32Å; N195-M197 PolarHBondContact O-N 3.11Å; N195-M197 WeakPolarHBondContact OD1-CB 3.32Å; N195-M197 VanDerWaalsContact OD1-CG 3.32Å; N195-M197 WeakPolarHBondContact OD1-CG 3.3Å; N195-M197 PolarHBondContact OD1-N 3.44Å; M197-R226 HydrophobicContact CE-CB 4.25Å; M197-R226 HydrophobicContact CE-CG 3.44Å; M197-R226 VanDerWaalsContact CE-CG 3.44Å; M197-I322 HydrophobicContact CB-CD1 3.9Å; M197-I322 HydrophobicContact CB-CG2 4.38Å; M197-G326 VanDerWaalsContact CG-C 3.48Å; M197-S328 PolarHBondContact SD-OG 3.46Å
198	V	97.6	Very high	96.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	149.6	-175	-58.8	0	0	0	0	113.6	W143 L188 Y190 Y191 M200 I322 S328 I329	W143-V198 HydrophobicContact CH2-CG1 4.47Å; W143-V198 HydrophobicContact CH2-CG2 4.31Å; W143-V198 HydrophobicContact CZ2-CB 4.24Å; W143-V198 HydrophobicContact CZ2-CG1 3.64Å; W143-V198 HydrophobicContact CZ2-CG2 4.09Å; L188-V198 HydrophobicContact CD1-CB 3.7Å; L188-V198 HydrophobicContact CD1-CG1 3.77Å; Y190-V198 CarbonylContact O-C 3.15Å; Y190-V198 VanDerWaalsContact O-CA 3.29Å; Y190-V198 WeakPolarHBondContact O-CA 3.27Å; Y191-V198 HydrophobicContact CD2-CG1 3.57Å; Y191-V198 HydrophobicContact CE2-CG1 4.28Å; Y191-V198 HydrophobicContact CG-CG1 4.43Å; V198-M200 HydrophobicContact CG2-CG 4.33Å; V198-I322 WeakPolarHBondContact O-CD1 3.14Å; V198-S328 PolarHBondContact N-OG 3.18Å; V198-S328 VanDerWaalsContact N-OG 3.15Å; V198-S328 CarbonylContact O-C 3.56Å; V198-S328 WeakPolarHBondContact O-CA 3.44Å; V198-I329 PolarHBondContact O-N 3.17Å
199	I	98.7	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.7	164.1	-52.8	179.8	0	0	0	107.1	S189 Y190 I322 I329 I331 T344 A347 L351	S189-I199 WeakPolarHBondContact CB-O 3.34Å; S189-I199 PolarHBondContact N-O 2.99Å; Y190-I199 HydrophobicContact CD1-CD1 3.9Å; Y190-I199 HydrophobicContact CD1-CG1 4.04Å; Y190-I199 HydrophobicContact CG-CD1 4.35Å; Y190-I199 PolarHBondContact N-O 3.15Å; Y190-I199 VanDerWaalsContact N-O 3.15Å; Y190-I199 PolarHBondContact O-N 3.01Å; I199-I322 HydrophobicContact CD1-CG1 4.15Å; I199-I322 HydrophobicContact CG1-CD1 3.71Å; I199-I322 HydrophobicContact CG1-CG1 3.75Å; I199-I329 HydrophobicContact CB-CD1 4.42Å; I199-I329 HydrophobicContact CB-CG1 4.11Å; I199-I329 HydrophobicContact CD1-CD1 4.26Å; I199-I329 HydrophobicContact CG1-CD1 3.85Å; I199-I329 HydrophobicContact CG1-CG1 3.88Å; I199-I329 HydrophobicContact CG2-CD1 4.1Å; I199-I329 HydrophobicContact CG2-CG1 3.96Å; I199-I331 HydrophobicContact CG2-CD1 3.76Å; I199-I331 HydrophobicContact CG2-CG1 4.28Å; I199-T344 HydrophobicContact CG2-CG2 3.99Å; I199-A347 HydrophobicContact CD1-CB 3.91Å; I199-L351 HydrophobicContact CD1-CD1 4.11Å
200	M	98.7	Very high	95.9	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	156.3	169.9	-65	178.9	-76.4	0	0	110.8	P186 V187 V198 T224 W261 I329 L330 I331	P186-M200 HydrophobicContact CB-SD 4.21Å; V187-M200 VanDerWaalsContact O-CA 3.24Å; V187-M200 WeakPolarHBondContact O-CA 3.36Å; V198-M200 HydrophobicContact CG2-CG 4.33Å; M200-T224 HydrophobicContact CE-CG2 4.02Å; M200-T224 WeakPolarHBondContact CE-OG1 3.47Å; M200-T224 HydrophobicContact SD-CG2 3.41Å; M200-T224 WeakPolarHBondContact SD-CG2 3.47Å; M200-W261 HydrophobicContact CE-CH2 3.36Å; M200-W261 HydrophobicContact CE-CZ2 3.98Å; M200-W261 HydrophobicContact CE-CZ3 4.13Å; M200-I329 PolarHBondContact N-O 2.92Å; M200-L330 HydrophobicContact CB-CD1 3.59Å; M200-L330 HydrophobicContact CE-CB 4.13Å; M200-I331 PolarHBondContact O-N 3.06Å
201	R	98.7	Very high	95.6	Very high	10 Å²	10	32.4 Å²	32.4	4%	0.038	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.3	173.6	61.9	-171.9	179.2	166	4.6	111.4	Y158 P186 V187 I331 T340 T344 R367 E368 A372	Y158-R201 PolarHBondContact OH-O 3.46Å; P186-R201 WeakPolarHBondContact CA-O 3.39Å; V187-R201 HydrophobicContact CG2-CG 3.83Å; V187-R201 PolarHBondContact N-O 3.19Å; V187-R201 VanDerWaalsContact N-O 3.11Å; V187-R201 PolarHBondContact O-N 3.31Å; V187-R201 VanDerWaalsContact O-N 3.08Å; R201-I331 WeakPolarHBondContact CA-O 3.5Å; R201-T340 HydrophobicContact CB-CG2 3.92Å; R201-T344 HydrophobicContact CB-CG2 4.15Å; R201-R367 PolarHBondContact NH2-O 2.87Å; R201-E368 IonicContact CZ-OE1 2.77Å; R201-E368 IonicContact CZ-OE2 3.72Å; R201-E368 IonicContact NE-OE1 3.43Å; R201-E368 IonicContact NE-OE2 2.78Å; R201-E368 VanDerWaalsContact NH1-CA 3.32Å; R201-E368 PolarHBondContact NH1-O 2.89Å; R201-E368 VanDerWaalsContact NH1-O 3.08Å; R201-E368 IonicContact NH1-OE1 2.86Å; R201-E368 PolarHBondContact NH1-OE1 2.72Å; R201-E368 IonicContact NH1-OE2 3.7Å; R201-E368 PolarHBondContact NH1-OE2 2.79Å; R201-E368 IonicContact NH2-OE1 3.74Å; R201-A372 VanDerWaalsContact CZ-CB 3.44Å; R201-A372 VanDerWaalsContact NH2-CB 3.34Å
202	S	98.7	Very high	95.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	174.2	178.3	64	0	0	0	0	112	R180 R184 I331 H332 G336	R180-S202 PolarHBondContact NH1-OG 2.66Å; R184-S202 WeakPolarHBondContact O-CA 3.27Å; R184-S202 VanDerWaalsContact O-CB 3.3Å; R184-S202 WeakPolarHBondContact O-CB 3.34Å; S202-I331 PolarHBondContact N-O 2.84Å; S202-H332 WeakPolarHBondContact O-CB 3.39Å; S202-G336 WeakPolarHBondContact O-CA 3.38Å
203	G	98.4	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	166.1	157.9	0	0	0	0	0	111.7	R180 R184	R180-G203 WeakPolarHBondContact CD-O 3.46Å; R180-G203 PolarHBondContact NH1-O 2.55Å; R180-G203 VanDerWaalsContact NH1-O 3.11Å; R184-G203 PolarHBondContact O-N 3.41Å
204	Q	98.3	Very high	95.7	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.037	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-58.2	152	177	71.4	177.6	-33.2	0	0	111.9	H181 G251 G333 T334	H181-Q204 HydrophobicContact CB-CG 3.7Å; H181-Q204 WeakPolarHBondContact CB-O 3.2Å; H181-Q204 PolarHBondContact N-O 2.78Å; Q204-G251 PolarHBondContact OE1-O 3.26Å; Q204-G333 PolarHBondContact N-O 2.69Å; Q204-T334 WeakPolarHBondContact CG-O 3.37Å; Q204-T334 PolarHBondContact N-O 3.02Å
205	P	98.3	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-73.7	147.2	170.2	32.7	-36.2	0	0	0	111.6	F179 T207 G250 G251 E253	F179-P205 HydrophobicContact CD1-CB 4.26Å; F179-P205 HydrophobicContact CE1-CB 3.52Å; F179-P205 HydrophobicContact CZ-CB 3.76Å; F179-P205 CarbonylContact O-C 3.52Å; P205-T207 VanDerWaalsContact C-N 3.31Å; P205-T207 HydrophobicContact CB-CG2 4.18Å; P205-T207 HydrophobicContact CG-CG2 4.29Å; P205-T207 PolarHBondContact O-N 2.84Å; P205-G250 CarbonylContact O-C 3.31Å; P205-G251 PolarHBondContact O-N 3.21Å; P205-G251 VanDerWaalsContact O-N 3.09Å; P205-E253 HydrophobicContact CG-CG 4.19Å
206	L	97.8	Very high	96.3	Very high	46 Å²	46	39.7 Å²	39.7	24%	0.241	20%	0.196	C	C	.	.			trans	-92	60	179.4	-59.1	177.6	0	0	0	110.5	F179 H181 G249	F179-L206 VanDerWaalsContact O-CB 3.3Å; F179-L206 WeakPolarHBondContact O-CB 3.24Å; F179-L206 VanDerWaalsContact O-CG 3.31Å; F179-L206 WeakPolarHBondContact O-CG 3.28Å; F179-L206 PolarHBondContact O-N 2.91Å; H181-L206 HydrophobicContact CB-CD2 4.06Å; L206-G249 CarbonylContact C-O 3.57Å; L206-G249 WeakPolarHBondContact CA-O 3.36Å
207	T	95.9	Very high	96.5	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.037	19%	0.192	C	C	.	.			trans	-74.2	-36.2	-178.9	52.6	0	0	0	0	112.2	F179 P205 G211 R212 G250	F179-T207 HydrophobicContact CE2-CG2 4.27Å; F179-T207 HydrophobicContact CZ-CG2 3.77Å; P205-T207 VanDerWaalsContact C-N 3.31Å; P205-T207 HydrophobicContact CB-CG2 4.18Å; P205-T207 HydrophobicContact CG-CG2 4.29Å; P205-T207 PolarHBondContact O-N 2.84Å; T207-G211 CarbonylContact O-C 3.58Å; T207-G211 WeakPolarHBondContact O-CA 3.2Å; T207-G211 PolarHBondContact O-N 3.38Å; T207-R212 WeakPolarHBondContact O-CB 3.13Å; T207-R212 PolarHBondContact O-N 2.77Å; T207-G250 PolarHBondContact N-O 2.71Å; T207-G250 PolarHBondContact OG1-O 2.82Å
208	G	94	Very high	96.6	Very high	9 Å²	9	40.3 Å²	40.3	9%	0.093	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-172.3	-177.4	0	0	0	0	0	114.1	N210 G211 R246 G250	G208-N210 VanDerWaalsContact C-N 3.33Å; G208-G211 PolarHBondContact O-N 2.9Å; G208-R246 CarbonylContact C-O 3.47Å; G208-R246 WeakPolarHBondContact CA-O 3.3Å; G208-R246 WeakPolarHBondContact O-CG 3.01Å; G208-R246 PolarHBondContact O-NE 2.63Å; G208-G250 WeakPolarHBondContact CA-O 3.28Å; G208-G250 PolarHBondContact N-O 3.46Å
209	T	91.9	Very high	96.6	Very high	90 Å²	90	45.8 Å²	45.8	55%	0.552	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-39.8	175.7	49.5	0	0	0	0	111.7	G211 R246	T209-G211 PolarHBondContact O-N 3.46Å; T209-G211 VanDerWaalsContact O-N 3.14Å; T209-R246 PolarHBondContact N-O 2.67Å; T209-R246 PolarHBondContact O-NH2 3.12Å; T209-R246 VanDerWaalsContact O-NH2 3.17Å
210	N	89.8	Confident	96.6	Very high	155 Å²	155	45.9 Å²	45.9	83%	0.829	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.2	-178.7	-60.9	-12.6	0	0	0	114.3	G208	G208-N210 VanDerWaalsContact C-N 3.33Å
211	G	90.1	Very high	96.5	Very high	18 Å²	18	45.7 Å²	45.7	19%	0.186	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	39.8	179	0	0	0	0	0	112.9	T207 G208 T209 R213	T207-G211 CarbonylContact O-C 3.58Å; T207-G211 WeakPolarHBondContact O-CA 3.2Å; T207-G211 PolarHBondContact O-N 3.38Å; G208-G211 PolarHBondContact O-N 2.9Å; T209-G211 PolarHBondContact O-N 3.46Å; T209-G211 VanDerWaalsContact O-N 3.14Å; G211-R213 PolarHBondContact O-N 2.86Å
212	R	94.3	Very high	96.5	Very high	125 Å²	125	47.5 Å²	47.5	47%	0.472	23%	0.23	S	C	.	.			trans	-50.4	137.8	174.4	-176.8	-178.5	180	-154.2	-2.3	109.5	T178 F179 T207	T178-R212 PolarHBondContact O-NH1 2.89Å; F179-R212 HydrophobicContact CD2-CG 4.39Å; F179-R212 HydrophobicContact CE2-CB 4.46Å; F179-R212 HydrophobicContact CE2-CG 4.23Å; F179-R212 WeakPolarHBondContact CE2-O 3.42Å; T207-R212 WeakPolarHBondContact O-CB 3.13Å; T207-R212 PolarHBondContact O-N 2.77Å
213	R	95.6	Very high	96.4	Very high	119 Å²	119	49.3 Å²	49.3	45%	0.449	25%	0.245	S	C	.	.			trans	-117.6	158.6	178.3	-63.4	-178.4	63.1	-177.2	-1	111.1	G211 E218 H257	G211-R213 PolarHBondContact O-N 2.86Å; R213-E218 IonicContact CZ-OE1 3.63Å; R213-E218 VanDerWaalsContact CZ-OE1 3.31Å; R213-E218 IonicContact CZ-OE2 2.83Å; R213-E218 IonicContact NE-OE1 3.77Å; R213-E218 PolarHBondContact NE-OE1 3.18Å; R213-E218 IonicContact NH2-OE1 3.44Å; R213-E218 PolarHBondContact NH2-OE1 3.31Å; R213-E218 IonicContact NH2-OE2 2.74Å; R213-E218 PolarHBondContact NH2-OE2 2.84Å; R213-H257 WeakPolarHBondContact CD-NE2 3.38Å; R213-H257 VanDerWaalsContact CZ-ND1 3.3Å; R213-H257 VanDerWaalsContact NE-CG 3.3Å; R213-H257 PolarHBondContact NE-ND1 3.23Å; R213-H257 PolarHBondContact NH1-ND1 3.3Å
214	C	97.9	Very high	96.2	Very high	12 Å²	12	49.8 Å²	49.8	8%	0.081	25%	0.248	C	C	.	.			trans	-137	110.1	171.8	-179.9	0	0	0	0	108.6	F179 E216 D217 E218	F179-C214 HydrophobicContact CB-CB 3.78Å; F179-C214 HydrophobicContact CD1-CB 3.44Å; F179-C214 VanDerWaalsContact CD1-CB 3.44Å; F179-C214 HydrophobicContact CD2-CB 3.87Å; F179-C214 HydrophobicContact CE1-CB 3.92Å; F179-C214 HydrophobicContact CE2-CB 4.31Å; F179-C214 HydrophobicContact CG-CB 3.39Å; F179-C214 HydrophobicContact CZ-CB 4.32Å; C214-E216 PolarHBondContact O-N 3.42Å; C214-D217 HydrophobicContact CB-CB 3.8Å; C214-D217 PolarHBondContact O-N 3.24Å; C214-D217 PolarHBondContact SG-N 3.33Å; C214-D217 VanDerWaalsContact SG-N 3.39Å; C214-E218 WeakPolarHBondContact O-CG 3.43Å; C214-E218 PolarHBondContact O-N 3Å; C214-E218 VanDerWaalsContact O-N 3.13Å
215	K	98.1	Very high	96.1	Very high	162 Å²	162	50.5 Å²	50.5	70%	0.704	25%	0.252	S	S	*	.	H	α-helix	trans	-65.2	-32.9	-179.5	-68.6	-176	179.7	179.5	0	111.4	K219	K215-K219 WeakPolarHBondContact O-CB 3.43Å; K215-K219 PolarHBondContact O-N 2.84Å
216	E	98.6	Very high	95.7	Very high	55 Å²	55	53.8 Å²	53.8	26%	0.257	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-34.3	176.1	-66.8	84	171.6	0	0	112.1	A172 K175 V176 C214 K219 L220	A172-E216 HydrophobicContact CB-CB 4.31Å; A172-E216 HydrophobicContact CB-CG 4.15Å; K175-E216 HydrophobicContact CB-CB 4.39Å; K175-E216 HydrophobicContact CB-CG 4.31Å; K175-E216 VanDerWaalsContact CD-CD 3.5Å; K175-E216 HydrophobicContact CD-CG 3.83Å; K175-E216 WeakPolarHBondContact CD-OE1 3.49Å; K175-E216 IonicContact NZ-OE1 2.92Å; K175-E216 PolarHBondContact NZ-OE1 2.87Å; V176-E216 VanDerWaalsContact CG2-C 3.44Å; V176-E216 HydrophobicContact CG2-CB 3.76Å; C214-E216 PolarHBondContact O-N 3.42Å; E216-K219 PolarHBondContact O-N 3.08Å; E216-L220 VanDerWaalsContact O-CB 3.28Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 PolarHBondContact O-N 3.49Å
217	D	98.7	Very high	95.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69	-46.8	174.7	-172.7	83.2	0	0	0	110.2	V176 F179 R180 C214 K219 L220 I221 Y258	V176-D217 HydrophobicContact CG1-CB 4.02Å; V176-D217 WeakPolarHBondContact CG1-OD1 3.39Å; V176-D217 HydrophobicContact CG2-CB 4.18Å; F179-D217 HydrophobicContact CD1-CB 3.81Å; F179-D217 HydrophobicContact CE1-CB 4.15Å; R180-D217 IonicContact CZ-OD1 2.69Å; R180-D217 IonicContact CZ-OD2 3.91Å; R180-D217 IonicContact NE-OD1 3.78Å; R180-D217 PolarHBondContact NE-OD1 3.12Å; R180-D217 IonicContact NE-OD2 2.84Å; R180-D217 IonicContact NH2-OD1 3.5Å; R180-D217 PolarHBondContact NH2-OD1 3.31Å; R180-D217 IonicContact NH2-OD2 2.66Å; R180-D217 PolarHBondContact NH2-OD2 2.79Å; C214-D217 HydrophobicContact CB-CB 3.8Å; C214-D217 PolarHBondContact O-N 3.24Å; C214-D217 PolarHBondContact SG-N 3.33Å; C214-D217 VanDerWaalsContact SG-N 3.39Å; D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 3.09Å; D217-L220 PolarHBondContact O-N 2.64Å; D217-I221 PolarHBondContact O-N 3.36Å; D217-Y258 PolarHBondContact OD2-OH 3.43Å; D217-Y258 VanDerWaalsContact OD2-OH 3.06Å
218	E	98.1	Very high	94.7	Very high	25 Å²	25	60.6 Å²	60.6	12%	0.117	34%	0.336	C	S	.	.	H	α-helix	trans	-54.5	-45.1	172.9	-66.7	170.1	-154.5	0	0	111	R213 C214 N222 Y258	R213-E218 IonicContact CZ-OE1 3.63Å; R213-E218 VanDerWaalsContact CZ-OE1 3.31Å; R213-E218 IonicContact CZ-OE2 2.83Å; R213-E218 IonicContact NE-OE1 3.77Å; R213-E218 PolarHBondContact NE-OE1 3.18Å; R213-E218 IonicContact NH2-OE1 3.44Å; R213-E218 PolarHBondContact NH2-OE1 3.31Å; R213-E218 IonicContact NH2-OE2 2.74Å; R213-E218 PolarHBondContact NH2-OE2 2.84Å; C214-E218 WeakPolarHBondContact O-CG 3.43Å; C214-E218 PolarHBondContact O-N 3Å; C214-E218 VanDerWaalsContact O-N 3.13Å; E218-N222 VanDerWaalsContact O-CB 3.29Å; E218-N222 WeakPolarHBondContact O-CB 3.3Å; E218-N222 PolarHBondContact O-N 3.19Å; E218-N222 VanDerWaalsContact O-N 3.15Å; E218-N222 PolarHBondContact O-ND2 3.05Å; E218-N222 VanDerWaalsContact O-ND2 3.07Å; E218-Y258 HydrophobicContact CB-CE1 4.16Å; E218-Y258 HydrophobicContact CG-CD1 4.01Å; E218-Y258 HydrophobicContact CG-CE1 3.49Å; E218-Y258 VanDerWaalsContact CG-CE1 3.49Å; E218-Y258 HydrophobicContact CG-CE2 4.44Å
219	K	98.1	Very high	94.5	Very high	118 Å²	118	64.7 Å²	64.7	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-44.3	177.1	-171.9	-174	175.6	-171.4	0	112.2	I168 K215 E216 D217 N222 A223	I168-K219 HydrophobicContact CD1-CD 4.09Å; I168-K219 HydrophobicContact CD1-CG 3.88Å; K215-K219 WeakPolarHBondContact O-CB 3.43Å; K215-K219 PolarHBondContact O-N 2.84Å; E216-K219 PolarHBondContact O-N 3.08Å; D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 3.09Å; K219-N222 PolarHBondContact O-N 2.65Å; K219-A223 WeakPolarHBondContact O-CB 3.43Å; K219-A223 PolarHBondContact O-N 2.82Å
220	L	98.4	Very high	94.6	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-51.4	-178.6	169	61.8	0	0	0	111.2	P165 I168 L173 V176 P186 E216 D217 A223	P165-L220 HydrophobicContact CG-CD1 4.05Å; I168-L220 HydrophobicContact CB-CD1 4.3Å; I168-L220 HydrophobicContact CG1-CD1 3.89Å; I168-L220 HydrophobicContact CG2-CD1 4.16Å; L173-L220 HydrophobicContact CD2-CD1 4.18Å; L173-L220 HydrophobicContact CD2-CD2 4.13Å; V176-L220 HydrophobicContact CB-CD2 4.42Å; V176-L220 HydrophobicContact CG1-CD2 3.99Å; V176-L220 HydrophobicContact CG2-CB 4.49Å; V176-L220 HydrophobicContact CG2-CD2 4.22Å; P186-L220 HydrophobicContact CB-CD2 4.06Å; P186-L220 HydrophobicContact CB-CG 4.46Å; P186-L220 HydrophobicContact CG-CD2 4.17Å; E216-L220 VanDerWaalsContact O-CB 3.28Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 PolarHBondContact O-N 3.49Å; D217-L220 PolarHBondContact O-N 2.64Å; L220-A223 WeakPolarHBondContact O-CB 3.31Å; L220-A223 PolarHBondContact O-N 3.18Å
221	I	97.5	Very high	95	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-39.2	-178.4	69.9	171.9	0	0	0	110.9	P186 D217 A223 T224 Y258 W261 L330	P186-I221 HydrophobicContact CB-CG2 4.06Å; P186-I221 HydrophobicContact CG-CG2 3.7Å; D217-I221 PolarHBondContact O-N 3.36Å; I221-A223 PolarHBondContact O-N 3.24Å; I221-T224 PolarHBondContact O-N 3.48Å; I221-T224 PolarHBondContact O-OG1 3.24Å; I221-Y258 HydrophobicContact CD1-CD1 3.33Å; I221-Y258 HydrophobicContact CD1-CE1 3.59Å; I221-Y258 HydrophobicContact CD1-CG 4.39Å; I221-Y258 HydrophobicContact CG1-CD1 4.18Å; I221-Y258 HydrophobicContact CG1-CE1 4.31Å; I221-W261 HydrophobicContact CB-CZ2 4.04Å; I221-W261 HydrophobicContact CD1-CD2 4.14Å; I221-W261 HydrophobicContact CD1-CG 4.04Å; I221-W261 HydrophobicContact CG1-CZ2 4.42Å; I221-W261 VanDerWaalsContact O-CZ2 3.25Å; I221-W261 WeakPolarHBondContact O-CZ2 3.15Å; I221-L330 HydrophobicContact CG2-CD2 4.26Å
222	N	97.2	Very high	95.4	Very high	48 Å²	48	63.2 Å²	63.2	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-65	-27	177	-72	-21.7	0	0	0	113.1	E218 K219 T224 L225 Q260 W261	E218-N222 VanDerWaalsContact O-CB 3.29Å; E218-N222 WeakPolarHBondContact O-CB 3.3Å; E218-N222 PolarHBondContact O-N 3.19Å; E218-N222 VanDerWaalsContact O-N 3.15Å; E218-N222 PolarHBondContact O-ND2 3.05Å; E218-N222 VanDerWaalsContact O-ND2 3.07Å; K219-N222 PolarHBondContact O-N 2.65Å; N222-T224 PolarHBondContact O-N 2.91Å; N222-T224 VanDerWaalsContact O-N 3.16Å; N222-L225 PolarHBondContact O-N 2.8Å; N222-L225 VanDerWaalsContact O-N 3.12Å; N222-Q260 PolarHBondContact OD1-OE1 3.11Å; N222-W261 VanDerWaalsContact OD1-CD1 3.29Å; N222-W261 PolarHBondContact OD1-NE1 2.88Å
223	A	97	Very high	95.6	Very high	39 Å²	39	57.3 Å²	57.3	32%	0.322	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.3	174.7	0	0	0	0	0	113.4	P165 I168 K219 L220 I221	P165-A223 HydrophobicContact CB-CB 4.03Å; P165-A223 HydrophobicContact CG-CB 4.28Å; I168-A223 HydrophobicContact CD1-CB 4.04Å; I168-A223 HydrophobicContact CG1-CB 4.09Å; K219-A223 WeakPolarHBondContact O-CB 3.43Å; K219-A223 PolarHBondContact O-N 2.82Å; L220-A223 WeakPolarHBondContact O-CB 3.31Å; L220-A223 PolarHBondContact O-N 3.18Å; I221-A223 PolarHBondContact O-N 3.24Å
224	T	95.6	Very high	95.7	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-8	176.8	81.2	0	0	0	0	113.2	W143 P165 M200 I221 N222	W143-T224 HydrophobicContact CH2-CG2 3.77Å; W143-T224 HydrophobicContact CZ2-CG2 4.38Å; P165-T224 HydrophobicContact CG-CG2 3.71Å; M200-T224 HydrophobicContact CE-CG2 4.02Å; M200-T224 WeakPolarHBondContact CE-OG1 3.47Å; M200-T224 HydrophobicContact SD-CG2 3.41Å; M200-T224 WeakPolarHBondContact SD-CG2 3.47Å; I221-T224 PolarHBondContact O-N 3.48Å; I221-T224 PolarHBondContact O-OG1 3.24Å; N222-T224 PolarHBondContact O-N 2.91Å; N222-T224 VanDerWaalsContact O-N 3.16Å
225	L	95.3	Very high	95.8	Very high	23 Å²	23	51 Å²	51	12%	0.12	27%	0.272	C	S	.	.	S	Bend	trans	-82.9	136.4	177.5	-65	-179.1	0	0	0	110.5	N222 Q260 W261	N222-L225 PolarHBondContact O-N 2.8Å; N222-L225 VanDerWaalsContact O-N 3.12Å; L225-Q260 HydrophobicContact CD1-CB 3.51Å; L225-Q260 HydrophobicContact CD1-CG 4.36Å; L225-W261 HydrophobicContact CD1-CZ2 4.04Å; L225-W261 HydrophobicContact CD2-CH2 3.77Å; L225-W261 HydrophobicContact CD2-CZ2 3.48Å; L225-W261 VanDerWaalsContact CD2-CZ2 3.48Å; L225-W261 HydrophobicContact CD2-CZ3 4.49Å; L225-W261 HydrophobicContact CG-CH2 4.36Å; L225-W261 HydrophobicContact CG-CZ2 3.58Å
226	R	89.1	Confident	95.8	Very high	70 Å²	70	43.4 Å²	43.4	26%	0.264	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-71.8	152.4	167.7	-59.7	-61.9	-174.5	171.4	-8.5	110.3	E142 Y191 G196 M197 G228 K229	E142-R226 IonicContact OE1-CZ 2.79Å; E142-R226 IonicContact OE1-NH1 3.28Å; E142-R226 PolarHBondContact OE1-NH1 2.94Å; E142-R226 IonicContact OE2-CZ 3.24Å; E142-R226 IonicContact OE2-NH1 3.48Å; E142-R226 PolarHBondContact OE2-NH1 3.27Å; E142-R226 IonicContact OE2-NH2 3.61Å; E142-R226 PolarHBondContact OE2-NH2 3.09Å; Y191-R226 PolarHBondContact OH-NH2 3.09Å; G196-R226 PolarHBondContact O-NE 3.39Å; G196-R226 PolarHBondContact O-NH2 3.13Å; M197-R226 HydrophobicContact CE-CB 4.25Å; M197-R226 HydrophobicContact CE-CG 3.44Å; M197-R226 VanDerWaalsContact CE-CG 3.44Å; R226-G228 PolarHBondContact O-N 2.85Å; R226-K229 HydrophobicContact CB-CB 4.23Å; R226-K229 HydrophobicContact CB-CG 3.83Å; R226-K229 WeakPolarHBondContact O-CB 3.42Å; R226-K229 PolarHBondContact O-N 3.49Å
227	A	86.9	Confident	95.7	Very high	106 Å²	106	41.2 Å²	41.2	88%	0.876	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	128.5	176.8	0	0	0	0	0	111.5	K229	A227-K229 PolarHBondContact O-N 2.93Å
228	G	86.1	Confident	95.6	Very high	88 Å²	88	42.8 Å²	42.8	91%	0.907	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	1.3	-179.5	0	0	0	0	0	115.6	R226	R226-G228 PolarHBondContact O-N 2.85Å
229	K	90.8	Very high	95.5	Very high	95 Å²	95	45.2 Å²	45.2	41%	0.413	25%	0.252	S	S	.	.			trans	-95.2	153.2	176.1	-62.5	-63.9	-171.6	166.3	0	111.6	R226 A227	R226-K229 HydrophobicContact CB-CB 4.23Å; R226-K229 HydrophobicContact CB-CG 3.83Å; R226-K229 WeakPolarHBondContact O-CB 3.42Å; R226-K229 PolarHBondContact O-N 3.49Å; A227-K229 PolarHBondContact O-N 2.93Å
230	R	93.8	Very high	95.4	Very high	190 Å²	190	44.7 Å²	44.7	72%	0.717	26%	0.255	S	S	*	.			trans	-109	159.2	170.2	-67.1	-176.2	177	-163.2	-2.2	109.1	Q260	R230-Q260 WeakPolarHBondContact CA-O 3.35Å; R230-Q260 WeakPolarHBondContact CB-O 3.26Å
231	G	97.3	Very high	95.3	Very high	1 Å²	1	47 Å²	47	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	169.3	176.4	0	0	0	0	0	112.9	Q260 W261 R262 S328	G231-Q260 PolarHBondContact N-O 3.17Å; G231-W261 WeakPolarHBondContact O-CA 3.44Å; G231-R262 PolarHBondContact O-N 2.95Å; G231-S328 CarbonylContact C-O 3.45Å; G231-S328 WeakPolarHBondContact CA-O 3.32Å
232	Y	98.5	Very high	95.2	Very high	41 Å²	41	47 Å²	47	16%	0.161	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	143.5	173.1	-64.7	-79.5	0	0	0	111.8	W261 R262 I264 C321 E325 A327 S328 I329 L330	Y232-W261 WeakPolarHBondContact O-CZ3 3.22Å; Y232-R262 CarbonylContact C-O 3.55Å; Y232-R262 VanDerWaalsContact CA-O 3.27Å; Y232-R262 WeakPolarHBondContact CA-O 3.43Å; Y232-R262 HydrophobicContact CD1-CB 3.87Å; Y232-R262 HydrophobicContact CD1-CG 4.29Å; Y232-R262 HydrophobicContact CE1-CB 4.05Å; Y232-R262 HydrophobicContact CE1-CG 4.28Å; Y232-I264 HydrophobicContact CD1-CD1 3.53Å; Y232-I264 HydrophobicContact CD1-CG1 4.15Å; Y232-I264 HydrophobicContact CE1-CD1 3.94Å; Y232-I264 HydrophobicContact CG-CD1 4.2Å; Y232-C321 HydrophobicContact CD2-CB 4.05Å; Y232-C321 HydrophobicContact CE2-CB 4.47Å; Y232-E325 WeakPolarHBondContact CE2-OE2 3.38Å; Y232-E325 PolarHBondContact OH-OE2 3.05Å; Y232-A327 HydrophobicContact CD2-CB 3.75Å; Y232-A327 HydrophobicContact CE2-CB 3.68Å; Y232-S328 PolarHBondContact N-O 2.82Å; Y232-I329 HydrophobicContact CD2-CG2 4.49Å; Y232-I329 CarbonylContact O-C 3.57Å; Y232-I329 VanDerWaalsContact O-CA 3.24Å; Y232-I329 WeakPolarHBondContact O-CA 3.29Å; Y232-L330 PolarHBondContact O-N 3.18Å
233	I	98.8	Very high	95.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	111.2	168.7	-58.3	177	0	0	0	107.2	E253 W261 R262 R263 I264 L330 H332	I233-E253 HydrophobicContact CD1-CB 3.58Å; I233-E253 HydrophobicContact CD1-CG 3.62Å; I233-W261 HydrophobicContact CD1-CB 3.77Å; I233-W261 HydrophobicContact CD1-CE3 4.49Å; I233-W261 HydrophobicContact CD1-CG 4.28Å; I233-W261 HydrophobicContact CG1-CB 3.99Å; I233-W261 HydrophobicContact CG1-CD2 4.28Å; I233-W261 HydrophobicContact CG1-CE3 3.76Å; I233-W261 HydrophobicContact CG1-CG 4.41Å; I233-R262 PolarHBondContact N-O 3.09Å; I233-R263 HydrophobicContact CB-CB 4.39Å; I233-R263 HydrophobicContact CB-CG 4.3Å; I233-R263 HydrophobicContact CG2-CG 4.34Å; I233-R263 CarbonylContact O-C 3.36Å; I233-R263 VanDerWaalsContact O-CA 3.31Å; I233-R263 WeakPolarHBondContact O-CA 3.46Å; I233-I264 PolarHBondContact O-N 3.16Å; I233-L330 CarbonylContact C-O 3.45Å; I233-L330 VanDerWaalsContact CA-O 3.3Å; I233-L330 WeakPolarHBondContact CA-O 3.38Å; I233-L330 HydrophobicContact CG1-CB 4.29Å; I233-L330 HydrophobicContact CG1-CD2 4.47Å; I233-H332 WeakPolarHBondContact CG2-NE2 3.21Å
234	I	98.7	Very high	95.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	101.6	176.3	-56.2	178.8	0	0	0	107.6	I264 K266 L317 A318 I329 L330 I331 H332	I234-I264 WeakPolarHBondContact CA-O 3.43Å; I234-K266 HydrophobicContact CG2-CB 4.18Å; I234-K266 HydrophobicContact CG2-CG 4.19Å; I234-L317 HydrophobicContact CD1-CD2 4.42Å; I234-L317 HydrophobicContact CD1-CG 4.39Å; I234-A318 HydrophobicContact CD1-CB 3.96Å; I234-I329 HydrophobicContact CD1-CD1 4.25Å; I234-L330 PolarHBondContact N-O 2.99Å; I234-I331 HydrophobicContact CB-CG1 4.29Å; I234-I331 WeakPolarHBondContact O-CA 3.23Å; I234-H332 PolarHBondContact O-N 3.06Å; I234-H332 VanDerWaalsContact O-N 3.1Å
235	D	98.6	Very high	95.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117.4	171.7	-168.8	-35.6	0	0	0	108.2	R237 I264 H265 K266 H332	D235-R237 PolarHBondContact O-N 3.35Å; D235-R237 VanDerWaalsContact O-N 3.15Å; D235-R237 VanDerWaalsContact OD1-CB 3.24Å; D235-R237 WeakPolarHBondContact OD1-CB 3.34Å; D235-R237 WeakPolarHBondContact OD1-CG 3.27Å; D235-R237 IonicContact OD1-CZ 2.76Å; D235-R237 PolarHBondContact OD1-N 3.28Å; D235-R237 IonicContact OD1-NE 2.77Å; D235-R237 PolarHBondContact OD1-NE 3.48Å; D235-R237 IonicContact OD1-NH2 3.24Å; D235-R237 IonicContact OD2-CZ 2.69Å; D235-R237 IonicContact OD2-NE 2.81Å; D235-R237 PolarHBondContact OD2-NE 3.45Å; D235-R237 IonicContact OD2-NH2 2.86Å; D235-R237 PolarHBondContact OD2-NH2 2.92Å; D235-I264 PolarHBondContact N-O 3.22Å; D235-H265 WeakPolarHBondContact O-CA 3.48Å; D235-H265 IonicContact OD2-CE1 3.21Å; D235-K266 PolarHBondContact O-N 2.94Å; D235-H332 CarbonylContact C-O 3.31Å; D235-H332 WeakPolarHBondContact CA-O 3.4Å; D235-H332 IonicContact OD2-CE1 3.53Å
236	T	98.3	Very high	95.1	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	30%	0.303	C	S	.	.			trans	-76.4	5	-176.4	61.2	0	0	0	0	113.4	K266 I268 I331 H332 G333 S339 V343	T236-K266 CarbonylContact C-O 3.46Å; T236-K266 WeakPolarHBondContact CA-O 3.18Å; T236-I268 HydrophobicContact CG2-CD1 4.44Å; T236-I268 PolarHBondContact O-N 3.25Å; T236-I331 HydrophobicContact CG2-CG2 3.99Å; T236-H332 PolarHBondContact N-O 2.84Å; T236-H332 PolarHBondContact OG1-O 3.18Å; T236-G333 VanDerWaalsContact OG1-CA 3.25Å; T236-G333 WeakPolarHBondContact OG1-CA 3.23Å; T236-S339 WeakPolarHBondContact CB-OG 3.36Å; T236-S339 PolarHBondContact OG1-OG 3.4Å; T236-V343 HydrophobicContact CG2-CG2 4.28Å
237	R	97.6	Very high	95.4	Very high	9 Å²	9	56.6 Å²	56.6	3%	0.034	32%	0.319	C	S	.	.	S	Bend	trans	-103.3	151.7	177.6	-53.6	168.5	-62.9	176.3	-1.4	110.5	D235 V241 A245 G251 H265 T334	D235-R237 PolarHBondContact O-N 3.35Å; D235-R237 VanDerWaalsContact O-N 3.15Å; D235-R237 VanDerWaalsContact OD1-CB 3.24Å; D235-R237 WeakPolarHBondContact OD1-CB 3.34Å; D235-R237 WeakPolarHBondContact OD1-CG 3.27Å; D235-R237 IonicContact OD1-CZ 2.76Å; D235-R237 PolarHBondContact OD1-N 3.28Å; D235-R237 IonicContact OD1-NE 2.77Å; D235-R237 PolarHBondContact OD1-NE 3.48Å; D235-R237 IonicContact OD1-NH2 3.24Å; D235-R237 IonicContact OD2-CZ 2.69Å; D235-R237 IonicContact OD2-NE 2.81Å; D235-R237 PolarHBondContact OD2-NE 3.45Å; D235-R237 IonicContact OD2-NH2 2.86Å; D235-R237 PolarHBondContact OD2-NH2 2.92Å; R237-V241 HydrophobicContact CB-CB 4.21Å; R237-V241 HydrophobicContact CB-CG1 4.09Å; R237-V241 HydrophobicContact CG-CG1 4.26Å; R237-A245 VanDerWaalsContact NH1-CB 3.3Å; R237-G251 PolarHBondContact NH2-O 3.26Å; R237-H265 PolarHBondContact O-ND1 3.36Å; R237-T334 VanDerWaalsContact CD-OG1 3.31Å; R237-T334 WeakPolarHBondContact CD-OG1 3.4Å
238	S	96.1	Very high	95.8	Very high	34 Å²	34	60.5 Å²	60.5	24%	0.238	32%	0.316	C	S	.	.			trans	-58.9	153.3	163.8	71.3	0	0	0	0	111	N240 V241 A242 S267	S238-N240 PolarHBondContact O-N 2.75Å; S238-V241 PolarHBondContact O-N 2.76Å; S238-V241 VanDerWaalsContact O-N 3.15Å; S238-V241 VanDerWaalsContact OG-CG2 3.3Å; S238-V241 WeakPolarHBondContact OG-CG2 3.36Å; S238-V241 PolarHBondContact OG-N 3.38Å; S238-A242 PolarHBondContact O-N 2.61Å; S238-S267 PolarHBondContact N-OG 3.15Å
239	L	95.4	Very high	96.2	Very high	76 Å²	76	58 Å²	58	40%	0.398	29%	0.29	S	S	.	.	H	α-helix	trans	-54.5	-40.6	177.9	-179.9	62.4	0	0	0	111.6	A242 Q243	L239-A242 PolarHBondContact O-N 3.15Å; L239-Q243 HydrophobicContact CD1-CG 4.45Å; L239-Q243 WeakPolarHBondContact O-CB 3.44Å; L239-Q243 VanDerWaalsContact O-CG 3.28Å; L239-Q243 WeakPolarHBondContact O-CG 3.33Å; L239-Q243 PolarHBondContact O-N 2.86Å
240	N	96.1	Very high	96.5	Very high	106 Å²	106	53.6 Å²	53.6	57%	0.567	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-45.1	179.6	-66.7	-9.4	0	0	0	111.7	S238 A242 Q243 Q244	S238-N240 PolarHBondContact O-N 2.75Å; N240-A242 VanDerWaalsContact C-N 3.35Å; N240-Q243 PolarHBondContact O-N 2.89Å; N240-Q244 WeakPolarHBondContact O-CG 3.45Å; N240-Q244 PolarHBondContact O-N 2.9Å
241	V	95.8	Very high	96.5	Very high	51 Å²	51	44.5 Å²	44.5	31%	0.309	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-39.9	177.9	172.6	0	0	0	0	110.8	R237 S238 Q243 Q244 A245	R237-V241 HydrophobicContact CB-CB 4.21Å; R237-V241 HydrophobicContact CB-CG1 4.09Å; R237-V241 HydrophobicContact CG-CG1 4.26Å; S238-V241 PolarHBondContact O-N 2.76Å; S238-V241 VanDerWaalsContact O-N 3.15Å; S238-V241 VanDerWaalsContact OG-CG2 3.3Å; S238-V241 WeakPolarHBondContact OG-CG2 3.36Å; S238-V241 PolarHBondContact OG-N 3.38Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 2.77Å; V241-Q244 PolarHBondContact O-N 3.32Å; V241-A245 WeakPolarHBondContact O-CB 3.46Å; V241-A245 PolarHBondContact O-N 3.34Å
242	A	96.1	Very high	96.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-38.2	175.9	0	0	0	0	0	112.3	S238 L239 N240 A245 R246 F252	S238-A242 PolarHBondContact O-N 2.61Å; L239-A242 PolarHBondContact O-N 3.15Å; N240-A242 VanDerWaalsContact C-N 3.35Å; A242-A245 PolarHBondContact O-N 3.15Å; A242-R246 PolarHBondContact O-N 3.1Å; A242-F252 HydrophobicContact CB-CD1 3.9Å; A242-F252 HydrophobicContact CB-CE1 4.41Å
243	Q	96.1	Very high	96.4	Very high	99 Å²	99	43.7 Å²	43.7	46%	0.463	23%	0.234	S	C	.	.	H	α-helix	trans	-66.7	-42.2	173.4	-73.5	173.6	-6.1	0	0	112.4	L239 N240 V241 A245 R246 A247 F252	L239-Q243 HydrophobicContact CD1-CG 4.45Å; L239-Q243 WeakPolarHBondContact O-CB 3.44Å; L239-Q243 VanDerWaalsContact O-CG 3.28Å; L239-Q243 WeakPolarHBondContact O-CG 3.33Å; L239-Q243 PolarHBondContact O-N 2.86Å; N240-Q243 PolarHBondContact O-N 2.89Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 2.77Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 3.23Å; Q243-R246 WeakPolarHBondContact O-CB 3.47Å; Q243-R246 PolarHBondContact O-N 3.42Å; Q243-A247 PolarHBondContact O-N 2.96Å; Q243-A247 VanDerWaalsContact O-N 3.07Å; Q243-F252 HydrophobicContact CG-CE1 4.32Å
244	Q	95.9	Very high	96.1	Very high	121 Å²	121	46.1 Å²	46.1	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-62.7	-38.9	174.1	-71.7	176.3	8	0	0	111.8	N240 V241 R246 A247 K248	N240-Q244 WeakPolarHBondContact O-CG 3.45Å; N240-Q244 PolarHBondContact O-N 2.9Å; V241-Q244 PolarHBondContact O-N 3.32Å; Q244-R246 VanDerWaalsContact C-N 3.31Å; Q244-R246 PolarHBondContact O-N 2.88Å; Q244-A247 WeakPolarHBondContact O-CB 3.35Å; Q244-A247 PolarHBondContact O-N 2.72Å; Q244-K248 PolarHBondContact O-N 2.62Å
245	A	95	Very high	95.8	Very high	14 Å²	14	52.9 Å²	52.9	12%	0.116	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-39.4	174.5	0	0	0	0	0	111.5	R237 V241 A242 Q243 A247 K248 G249 G250	R237-A245 VanDerWaalsContact NH1-CB 3.3Å; V241-A245 WeakPolarHBondContact O-CB 3.46Å; V241-A245 PolarHBondContact O-N 3.34Å; A242-A245 PolarHBondContact O-N 3.15Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 3.23Å; A245-A247 VanDerWaalsContact C-N 3.33Å; A245-A247 PolarHBondContact O-N 3.43Å; A245-K248 CarbonylContact O-C 3.55Å; A245-K248 WeakPolarHBondContact O-CA 3.49Å; A245-K248 PolarHBondContact O-N 2.94Å; A245-G249 PolarHBondContact O-N 2.83Å; A245-G250 WeakPolarHBondContact O-CA 3.48Å; A245-G250 PolarHBondContact O-N 2.85Å
246	R	96	Very high	95.6	Very high	84 Å²	84	57 Å²	57	32%	0.317	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-42.6	172.6	-172.7	-176.4	170.6	-159	-4.9	112.4	G208 T209 A242 Q243 Q244 K248 G249 G250	G208-R246 CarbonylContact C-O 3.47Å; G208-R246 WeakPolarHBondContact CA-O 3.3Å; G208-R246 WeakPolarHBondContact O-CG 3.01Å; G208-R246 PolarHBondContact O-NE 2.63Å; T209-R246 PolarHBondContact N-O 2.67Å; T209-R246 PolarHBondContact O-NH2 3.12Å; T209-R246 VanDerWaalsContact O-NH2 3.17Å; A242-R246 PolarHBondContact O-N 3.1Å; Q243-R246 WeakPolarHBondContact O-CB 3.47Å; Q243-R246 PolarHBondContact O-N 3.42Å; Q244-R246 VanDerWaalsContact C-N 3.31Å; Q244-R246 PolarHBondContact O-N 2.88Å; R246-K248 PolarHBondContact O-N 3.33Å; R246-G249 PolarHBondContact O-N 2.86Å; R246-G249 VanDerWaalsContact O-N 3.13Å; R246-G250 WeakPolarHBondContact CA-O 3.3Å
247	A	95.5	Very high	95.4	Very high	71 Å²	71	59 Å²	59	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-61.9	-27.6	175.8	0	0	0	0	0	112.7	Q243 Q244 A245	Q243-A247 PolarHBondContact O-N 2.96Å; Q243-A247 VanDerWaalsContact O-N 3.07Å; Q244-A247 WeakPolarHBondContact O-CB 3.35Å; Q244-A247 PolarHBondContact O-N 2.72Å; A245-A247 VanDerWaalsContact C-N 3.33Å; A245-A247 PolarHBondContact O-N 3.43Å
248	K	95.5	Very high	95.4	Very high	188 Å²	188	58.9 Å²	58.9	82%	0.817	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	13.1	177.3	-63.2	-179.7	-179	180	0	114.1	Q244 A245 R246	Q244-K248 PolarHBondContact O-N 2.62Å; A245-K248 CarbonylContact O-C 3.55Å; A245-K248 WeakPolarHBondContact O-CA 3.49Å; A245-K248 PolarHBondContact O-N 2.94Å; R246-K248 PolarHBondContact O-N 3.33Å
249	G	94.3	Very high	95.3	Very high	35 Å²	35	61.4 Å²	61.4	36%	0.361	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-7	178	0	0	0	0	0	115.8	L206 A245 R246	L206-G249 CarbonylContact C-O 3.57Å; L206-G249 WeakPolarHBondContact CA-O 3.36Å; A245-G249 PolarHBondContact O-N 2.83Å; R246-G249 PolarHBondContact O-N 2.86Å; R246-G249 VanDerWaalsContact O-N 3.13Å
250	G	96.2	Very high	95.4	Very high	3 Å²	3	61.6 Å²	61.6	3%	0.031	34%	0.335	C	S	.	.			trans	-80.5	-143.2	167.7	0	0	0	0	0	111.9	P205 T207 G208 A245 R246	P205-G250 CarbonylContact O-C 3.31Å; T207-G250 PolarHBondContact N-O 2.71Å; T207-G250 PolarHBondContact OG1-O 2.82Å; G208-G250 WeakPolarHBondContact CA-O 3.28Å; G208-G250 PolarHBondContact N-O 3.46Å; A245-G250 WeakPolarHBondContact O-CA 3.48Å; A245-G250 PolarHBondContact O-N 2.85Å; R246-G250 WeakPolarHBondContact CA-O 3.3Å
251	G	95.2	Very high	95.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.309	C	S	.	.			trans	140.5	-146.4	170.4	0	0	0	0	0	113.7	Q204 P205 R237	Q204-G251 PolarHBondContact OE1-O 3.26Å; P205-G251 PolarHBondContact O-N 3.21Å; P205-G251 VanDerWaalsContact O-N 3.09Å; R237-G251 PolarHBondContact NH2-O 3.26Å
252	F	96.4	Very high	95.6	Very high	21 Å²	21	62.2 Å²	62.2	9%	0.092	32%	0.323	C	S	.	.			trans	-150.7	162.2	-176.6	52.8	-97.6	0	0	0	110.7	A242 Q243 Q254	A242-F252 HydrophobicContact CB-CD1 3.9Å; A242-F252 HydrophobicContact CB-CE1 4.41Å; Q243-F252 HydrophobicContact CG-CE1 4.32Å; F252-Q254 PolarHBondContact O-N 2.98Å
253	E	96.7	Very high	95.6	Very high	3 Å²	3	65.6 Å²	65.6	1%	0.014	34%	0.336	C	S	.	.			trans	-68.1	118.9	-179.1	-66.3	87.5	170.2	0	0	111.2	R180 P205 I233 Y258 R263 H332	R180-E253 IonicContact CZ-OE1 3.28Å; R180-E253 VanDerWaalsContact CZ-OE1 3.24Å; R180-E253 IonicContact NH1-OE1 2.91Å; R180-E253 PolarHBondContact NH1-OE1 3.44Å; R180-E253 IonicContact NH2-OE1 2.71Å; R180-E253 PolarHBondContact NH2-OE1 2.99Å; P205-E253 HydrophobicContact CG-CG 4.19Å; I233-E253 HydrophobicContact CD1-CB 3.58Å; I233-E253 HydrophobicContact CD1-CG 3.62Å; E253-Y258 HydrophobicContact CB-CD2 3.48Å; E253-Y258 VanDerWaalsContact CB-CD2 3.48Å; E253-Y258 HydrophobicContact CB-CE2 3.66Å; E253-Y258 HydrophobicContact CB-CG 3.96Å; E253-Y258 HydrophobicContact CG-CD1 4.48Å; E253-Y258 HydrophobicContact CG-CD2 4.07Å; E253-Y258 HydrophobicContact CG-CE1 4.23Å; E253-Y258 HydrophobicContact CG-CE2 3.86Å; E253-Y258 HydrophobicContact CG-CG 4.37Å; E253-R263 PolarHBondContact O-NH1 2.97Å; E253-H332 IonicContact OE1-CD2 3.07Å; E253-H332 IonicContact OE1-NE2 2.76Å; E253-H332 PolarHBondContact OE1-NE2 3.37Å; E253-H332 VanDerWaalsContact OE1-NE2 3.16Å; E253-H332 IonicContact OE2-CD2 3.23Å; E253-H332 IonicContact OE2-CE1 3.51Å; E253-H332 IonicContact OE2-NE2 2.91Å; E253-H332 PolarHBondContact OE2-NE2 3.29Å
254	Q	93.1	Very high	95.6	Very high	52 Å²	52	62.8 Å²	62.8	24%	0.243	32%	0.324	C	S	.	.			trans	-82.2	131.3	-179.2	-61.4	-175.2	39.1	0	0	111.6	F252 A256 H257 Y258	F252-Q254 PolarHBondContact O-N 2.98Å; Q254-A256 PolarHBondContact O-N 3.2Å; Q254-A256 VanDerWaalsContact O-N 3.1Å; Q254-H257 PolarHBondContact O-N 3.29Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.41Å; Q254-Y258 PolarHBondContact O-N 2.99Å; Q254-Y258 VanDerWaalsContact O-N 3.08Å
255	E	92.3	Very high	95.7	Very high	143 Å²	143	59.5 Å²	59.5	67%	0.668	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.5	-174.2	-171.7	171.5	-175.8	0	0	113.5	H257 Y258 P259	E255-H257 PolarHBondContact O-N 2.94Å; E255-H257 VanDerWaalsContact O-N 3.14Å; E255-Y258 CarbonylContact O-C 3.54Å; E255-Y258 VanDerWaalsContact O-C 3.31Å; E255-Y258 PolarHBondContact O-N 3.08Å; E255-P259 WeakPolarHBondContact O-CA 3.37Å
256	A	93.4	Very high	95.8	Very high	86 Å²	86	61.5 Å²	61.5	71%	0.711	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.4	175.3	0	0	0	0	0	114.3	Q254	Q254-A256 PolarHBondContact O-N 3.2Å; Q254-A256 VanDerWaalsContact O-N 3.1Å
257	H	94.9	Very high	95.8	Very high	44 Å²	44	59.7 Å²	59.7	20%	0.204	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-19.5	179.9	-54.9	-28.4	0	0	0	112.3	R213 Q254 E255 P259	R213-H257 WeakPolarHBondContact CD-NE2 3.38Å; R213-H257 VanDerWaalsContact CZ-ND1 3.3Å; R213-H257 VanDerWaalsContact NE-CG 3.3Å; R213-H257 PolarHBondContact NE-ND1 3.23Å; R213-H257 PolarHBondContact NH1-ND1 3.3Å; Q254-H257 PolarHBondContact O-N 3.29Å; E255-H257 PolarHBondContact O-N 2.94Å; E255-H257 VanDerWaalsContact O-N 3.14Å; H257-P259 WeakPolarHBondContact O-CD 3.46Å
258	Y	96.6	Very high	95.9	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.02	29%	0.289	C	S	.	.			trans	-124.7	59.5	178.4	-56.2	-88.8	0	0	0	110.6	D217 E218 I221 E253 Q254 E255 Q260 W261	D217-Y258 PolarHBondContact OD2-OH 3.43Å; D217-Y258 VanDerWaalsContact OD2-OH 3.06Å; E218-Y258 HydrophobicContact CB-CE1 4.16Å; E218-Y258 HydrophobicContact CG-CD1 4.01Å; E218-Y258 HydrophobicContact CG-CE1 3.49Å; E218-Y258 VanDerWaalsContact CG-CE1 3.49Å; E218-Y258 HydrophobicContact CG-CE2 4.44Å; I221-Y258 HydrophobicContact CD1-CD1 3.33Å; I221-Y258 HydrophobicContact CD1-CE1 3.59Å; I221-Y258 HydrophobicContact CD1-CG 4.39Å; I221-Y258 HydrophobicContact CG1-CD1 4.18Å; I221-Y258 HydrophobicContact CG1-CE1 4.31Å; E253-Y258 HydrophobicContact CB-CD2 3.48Å; E253-Y258 VanDerWaalsContact CB-CD2 3.48Å; E253-Y258 HydrophobicContact CB-CE2 3.66Å; E253-Y258 HydrophobicContact CB-CG 3.96Å; E253-Y258 HydrophobicContact CG-CD1 4.48Å; E253-Y258 HydrophobicContact CG-CD2 4.07Å; E253-Y258 HydrophobicContact CG-CE1 4.23Å; E253-Y258 HydrophobicContact CG-CE2 3.86Å; E253-Y258 HydrophobicContact CG-CG 4.37Å; Q254-Y258 WeakPolarHBondContact O-CD2 3.41Å; Q254-Y258 PolarHBondContact O-N 2.99Å; Q254-Y258 VanDerWaalsContact O-N 3.08Å; E255-Y258 CarbonylContact O-C 3.54Å; E255-Y258 VanDerWaalsContact O-C 3.31Å; E255-Y258 PolarHBondContact O-N 3.08Å; Y258-Q260 PolarHBondContact O-N 3.39Å; Y258-Q260 VanDerWaalsContact O-N 3.08Å; Y258-W261 PolarHBondContact O-N 2.84Å; Y258-W261 VanDerWaalsContact O-O 3.14Å
259	P	95.7	Very high	95.9	Very high	87 Å²	87	51.5 Å²	51.5	57%	0.565	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.1	-169.5	27.4	-37.2	0	0	0	114.3	E255 H257	E255-P259 WeakPolarHBondContact O-CA 3.37Å; H257-P259 WeakPolarHBondContact O-CD 3.46Å
260	Q	96.8	Very high	95.8	Very high	81 Å²	81	53.8 Å²	53.8	38%	0.379	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.5	175.6	-61.1	-177.6	-61	0	0	113	N222 L225 R230 G231 Y258	N222-Q260 PolarHBondContact OD1-OE1 3.11Å; L225-Q260 HydrophobicContact CD1-CB 3.51Å; L225-Q260 HydrophobicContact CD1-CG 4.36Å; R230-Q260 WeakPolarHBondContact CA-O 3.35Å; R230-Q260 WeakPolarHBondContact CB-O 3.26Å; G231-Q260 PolarHBondContact N-O 3.17Å; Y258-Q260 PolarHBondContact O-N 3.39Å; Y258-Q260 VanDerWaalsContact O-N 3.08Å
261	W	97.6	Very high	95.5	Very high	6 Å²	6	55.2 Å²	55.2	2%	0.023	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.9	-173.2	-69	89.5	0	0	0	111.2	M200 I221 N222 L225 G231 Y232 I233 Y258 L330	M200-W261 HydrophobicContact CE-CH2 3.36Å; M200-W261 HydrophobicContact CE-CZ2 3.98Å; M200-W261 HydrophobicContact CE-CZ3 4.13Å; I221-W261 HydrophobicContact CB-CZ2 4.04Å; I221-W261 HydrophobicContact CD1-CD2 4.14Å; I221-W261 HydrophobicContact CD1-CG 4.04Å; I221-W261 HydrophobicContact CG1-CZ2 4.42Å; I221-W261 VanDerWaalsContact O-CZ2 3.25Å; I221-W261 WeakPolarHBondContact O-CZ2 3.15Å; N222-W261 VanDerWaalsContact OD1-CD1 3.29Å; N222-W261 PolarHBondContact OD1-NE1 2.88Å; L225-W261 HydrophobicContact CD1-CZ2 4.04Å; L225-W261 HydrophobicContact CD2-CH2 3.77Å; L225-W261 HydrophobicContact CD2-CZ2 3.48Å; L225-W261 VanDerWaalsContact CD2-CZ2 3.48Å; L225-W261 HydrophobicContact CD2-CZ3 4.49Å; L225-W261 HydrophobicContact CG-CH2 4.36Å; L225-W261 HydrophobicContact CG-CZ2 3.58Å; G231-W261 WeakPolarHBondContact O-CA 3.44Å; Y232-W261 WeakPolarHBondContact O-CZ3 3.22Å; I233-W261 HydrophobicContact CD1-CB 3.77Å; I233-W261 HydrophobicContact CD1-CE3 4.49Å; I233-W261 HydrophobicContact CD1-CG 4.28Å; I233-W261 HydrophobicContact CG1-CB 3.99Å; I233-W261 HydrophobicContact CG1-CD2 4.28Å; I233-W261 HydrophobicContact CG1-CE3 3.76Å; I233-W261 HydrophobicContact CG1-CG 4.41Å; Y258-W261 PolarHBondContact O-N 2.84Å; Y258-W261 VanDerWaalsContact O-O 3.14Å; W261-L330 HydrophobicContact CZ3-CB 4.21Å
262	R	97.2	Very high	95.3	Very high	164 Å²	164	60 Å²	60	62%	0.619	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.1	175.9	-177.9	171.3	177	-161	3.9	110.2	G231 Y232 I233	G231-R262 PolarHBondContact O-N 2.95Å; Y232-R262 CarbonylContact C-O 3.55Å; Y232-R262 VanDerWaalsContact CA-O 3.27Å; Y232-R262 WeakPolarHBondContact CA-O 3.43Å; Y232-R262 HydrophobicContact CD1-CB 3.87Å; Y232-R262 HydrophobicContact CD1-CG 4.29Å; Y232-R262 HydrophobicContact CE1-CB 4.05Å; Y232-R262 HydrophobicContact CE1-CG 4.28Å; I233-R262 PolarHBondContact N-O 3.09Å
263	R	96.9	Very high	95.2	Very high	70 Å²	70	61.5 Å²	61.5	26%	0.264	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	138	177.5	-167.4	174.9	66	-94.7	-7.9	111.8	I233 E253 H265	I233-R263 HydrophobicContact CB-CB 4.39Å; I233-R263 HydrophobicContact CB-CG 4.3Å; I233-R263 HydrophobicContact CG2-CG 4.34Å; I233-R263 CarbonylContact O-C 3.36Å; I233-R263 VanDerWaalsContact O-CA 3.31Å; I233-R263 WeakPolarHBondContact O-CA 3.46Å; E253-R263 PolarHBondContact O-NH1 2.97Å; R263-H265 PolarHBondContact NE-NE2 2.9Å
264	I	97.3	Very high	95.2	Very high	40 Å²	40	61.5 Å²	61.5	21%	0.205	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	135.9	175	-56	174.9	0	0	0	107.8	Y232 I233 I234 D235 K266 L317	Y232-I264 HydrophobicContact CD1-CD1 3.53Å; Y232-I264 HydrophobicContact CD1-CG1 4.15Å; Y232-I264 HydrophobicContact CE1-CD1 3.94Å; Y232-I264 HydrophobicContact CG-CD1 4.2Å; I233-I264 PolarHBondContact O-N 3.16Å; I234-I264 WeakPolarHBondContact CA-O 3.43Å; D235-I264 PolarHBondContact N-O 3.22Å; I264-K266 HydrophobicContact CG2-CG 4.49Å; I264-L317 HydrophobicContact CD1-CD2 4.31Å; I264-L317 HydrophobicContact CG2-CD2 3.99Å
265	H	97.1	Very high	95.3	Very high	52 Å²	52	59 Å²	59	24%	0.241	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.5	174.8	-72.3	-85	0	0	0	110.2	D235 R237 R263	D235-H265 WeakPolarHBondContact O-CA 3.48Å; D235-H265 IonicContact OD2-CE1 3.21Å; R237-H265 PolarHBondContact O-ND1 3.36Å; R263-H265 PolarHBondContact NE-NE2 2.9Å
266	K	97.1	Very high	95.5	Very high	57 Å²	57	56.7 Å²	56.7	25%	0.248	28%	0.278	C	S	.	.			trans	-129	91.5	173	-74.9	-62	-174	178.4	0	109.2	I234 D235 T236 I264 I268 A314 L317	I234-K266 HydrophobicContact CG2-CB 4.18Å; I234-K266 HydrophobicContact CG2-CG 4.19Å; D235-K266 PolarHBondContact O-N 2.94Å; T236-K266 CarbonylContact C-O 3.46Å; T236-K266 WeakPolarHBondContact CA-O 3.18Å; I264-K266 HydrophobicContact CG2-CG 4.49Å; K266-I268 PolarHBondContact O-N 2.94Å; K266-A314 HydrophobicContact CB-CB 3.91Å; K266-A314 HydrophobicContact CG-CB 4.24Å; K266-L317 HydrophobicContact CD-CD2 4.22Å; K266-L317 HydrophobicContact CG-CD2 3.93Å
267	S	96.1	Very high	95.7	Very high	45 Å²	45	52.8 Å²	52.8	32%	0.315	25%	0.246	S	C	.	.			trans	-65.4	118.3	-171.5	-162.8	0	0	0	0	111.5	S238	S238-S267 PolarHBondContact N-OG 3.15Å
268	I	97.5	Very high	95.9	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.056	24%	0.236	C	C	.	.			trans	-120.5	129.2	167.9	-62.4	168.3	0	0	0	106.8	T236 K266 I311 A314 V343	T236-I268 HydrophobicContact CG2-CD1 4.44Å; T236-I268 PolarHBondContact O-N 3.25Å; K266-I268 PolarHBondContact O-N 2.94Å; I268-I311 HydrophobicContact CD1-CG1 4.09Å; I268-I311 HydrophobicContact CG1-CG1 4.18Å; I268-I311 HydrophobicContact CG2-CD1 4.38Å; I268-I311 HydrophobicContact CG2-CG1 3.86Å; I268-A314 HydrophobicContact CD1-CB 4.09Å; I268-V343 HydrophobicContact CD1-CG2 3.55Å
269	E	96	Very high	95.9	Very high	77 Å²	77	51.7 Å²	51.7	36%	0.36	24%	0.241	S	C	.	.			trans	-66.2	156.6	-174.1	-65.9	-57.7	158.4	0	0	112.9	I273 L274	E269-I273 HydrophobicContact CB-CB 4.11Å; E269-I273 HydrophobicContact CB-CD1 4.37Å; E269-I273 HydrophobicContact CB-CG2 3.95Å; E269-I273 HydrophobicContact CG-CD1 4.41Å; E269-I273 HydrophobicContact CG-CG2 4Å; E269-I273 WeakPolarHBondContact OE2-CD1 3.41Å; E269-L274 HydrophobicContact CB-CD2 3.92Å; E269-L274 HydrophobicContact CB-CG 4.37Å; E269-L274 WeakPolarHBondContact O-CD1 3.49Å
270	R	92	Very high	96	Very high	82 Å²	82	51.1 Å²	51.1	31%	0.309	23%	0.23	S	C	.	.			trans	-91.1	162.6	-179.8	-65.1	-168.8	77.5	-167.1	5	111.8	H272 I273 L274 E335	R270-H272 VanDerWaalsContact C-N 3.33Å; R270-H272 PolarHBondContact O-N 3.15Å; R270-I273 PolarHBondContact O-N 2.9Å; R270-L274 PolarHBondContact O-N 3.04Å; R270-E335 IonicContact NH2-OE2 3.38Å; R270-E335 PolarHBondContact NH2-OE2 3.14Å
271	Y	89.4	Confident	96	Very high	33 Å²	33	47.2 Å²	47.2	13%	0.129	21%	0.212	C	C	.	.	H	α-helix	trans	-39.8	-49.2	-171.3	49.8	-100.3	0	0	0	115.7	I273 L274 Q275 K391 W392	Y271-I273 PolarHBondContact O-N 3.22Å; Y271-L274 PolarHBondContact O-N 3.36Å; Y271-L274 VanDerWaalsContact O-N 3.16Å; Y271-Q275 WeakPolarHBondContact O-CB 3.5Å; Y271-Q275 PolarHBondContact O-N 3.33Å; Y271-K391 WeakPolarHBondContact CE2-O 3.49Å; Y271-W392 HydrophobicContact CE2-CE3 4.33Å; Y271-W392 AromaticContact CZ-CE3 3.96Å; Y271-W392 WeakPolarHBondContact OH-CZ3 3.32Å
272	H	90.5	Very high	96	Very high	101 Å²	101	47.1 Å²	47.1	47%	0.468	21%	0.212	S	C	.	.	H	α-helix	trans	-58.5	-41.8	-178.9	65.1	-70.8	0	0	0	114.1	R270 E276	R270-H272 VanDerWaalsContact C-N 3.33Å; R270-H272 PolarHBondContact O-N 3.15Å; H272-E276 PolarHBondContact O-N 3.2Å; H272-E276 VanDerWaalsContact O-N 3.15Å
273	I	95	Very high	95.9	Very high	53 Å²	53	44.9 Å²	44.9	27%	0.272	21%	0.208	S	C	.	.	H	α-helix	trans	-70.3	-41.1	178	-65.6	164	0	0	0	110	E269 R270 Y271 Q275 E276 S277	E269-I273 HydrophobicContact CB-CB 4.11Å; E269-I273 HydrophobicContact CB-CD1 4.37Å; E269-I273 HydrophobicContact CB-CG2 3.95Å; E269-I273 HydrophobicContact CG-CD1 4.41Å; E269-I273 HydrophobicContact CG-CG2 4Å; E269-I273 WeakPolarHBondContact OE2-CD1 3.41Å; R270-I273 PolarHBondContact O-N 2.9Å; Y271-I273 PolarHBondContact O-N 3.22Å; I273-Q275 VanDerWaalsContact C-N 3.3Å; I273-Q275 PolarHBondContact O-N 3.27Å; I273-E276 PolarHBondContact O-N 3.01Å; I273-S277 WeakPolarHBondContact O-CB 3.41Å; I273-S277 PolarHBondContact O-N 3.46Å
274	L	96.6	Very high	95.9	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-35.5	178.6	-58.8	179.6	0	0	0	112	E269 R270 Y271 S277 L278 H307 A394 P395 V396 L399	E269-L274 HydrophobicContact CB-CD2 3.92Å; E269-L274 HydrophobicContact CB-CG 4.37Å; E269-L274 WeakPolarHBondContact O-CD1 3.49Å; R270-L274 PolarHBondContact O-N 3.04Å; Y271-L274 PolarHBondContact O-N 3.36Å; Y271-L274 VanDerWaalsContact O-N 3.16Å; L274-S277 WeakPolarHBondContact O-CB 3.3Å; L274-S277 PolarHBondContact O-N 3.11Å; L274-L278 PolarHBondContact O-N 2.84Å; L274-H307 HydrophobicContact CD2-CB 4.28Å; L274-A394 HydrophobicContact CB-CB 4.45Å; L274-P395 HydrophobicContact CB-CG 4.19Å; L274-P395 WeakPolarHBondContact O-CG 3.45Å; L274-V396 HydrophobicContact CD1-CG2 4.28Å; L274-L399 HydrophobicContact CB-CD1 4.18Å; L274-L399 HydrophobicContact CD1-CD1 3.8Å; L274-L399 HydrophobicContact CD2-CD1 3.79Å; L274-L399 HydrophobicContact CG-CD1 4.13Å
275	Q	96.1	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.6	-43.2	175.8	-171.3	61.6	20.9	0	0	111.4	Y271 I273 S277 L278 I279 S383 Q390 A394	Y271-Q275 WeakPolarHBondContact O-CB 3.5Å; Y271-Q275 PolarHBondContact O-N 3.33Å; I273-Q275 VanDerWaalsContact C-N 3.3Å; I273-Q275 PolarHBondContact O-N 3.27Å; Q275-S277 VanDerWaalsContact C-N 3.29Å; Q275-S277 PolarHBondContact O-N 2.89Å; Q275-L278 PolarHBondContact O-N 3.22Å; Q275-I279 HydrophobicContact CG-CD1 4.3Å; Q275-I279 VanDerWaalsContact O-CG1 3.3Å; Q275-I279 WeakPolarHBondContact O-CG1 3.43Å; Q275-I279 PolarHBondContact O-N 2.99Å; Q275-S383 VanDerWaalsContact NE2-C 3.33Å; Q275-S383 PolarHBondContact NE2-O 2.92Å; Q275-Q390 HydrophobicContact CB-CG 4.45Å; Q275-Q390 HydrophobicContact CG-CG 3.75Å; Q275-A394 VanDerWaalsContact OE1-CA 3.32Å
276	E	95.7	Very high	95.6	Very high	94 Å²	94	40 Å²	40	44%	0.439	19%	0.19	S	C	.	.	H	α-helix	trans	-61.9	-38.7	173.9	-168.5	-173.8	156.2	0	0	111.8	H272 I273 I279 K280	H272-E276 PolarHBondContact O-N 3.2Å; H272-E276 VanDerWaalsContact O-N 3.15Å; I273-E276 PolarHBondContact O-N 3.01Å; E276-I279 PolarHBondContact O-N 3.22Å; E276-K280 HydrophobicContact CG-CD 4.34Å; E276-K280 WeakPolarHBondContact O-CG 3.47Å; E276-K280 PolarHBondContact O-N 2.99Å; E276-K280 VanDerWaalsContact OE1-CE 3.28Å; E276-K280 WeakPolarHBondContact OE1-CE 3.37Å; E276-K280 IonicContact OE1-NZ 3.87Å; E276-K280 PolarHBondContact OE1-NZ 2.69Å
277	S	97.9	Very high	95.4	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.028	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-47.4	173.9	178.1	0	0	0	0	111.9	I273 L274 Q275 K280 L281 S302 W304 H307	I273-S277 WeakPolarHBondContact O-CB 3.41Å; I273-S277 PolarHBondContact O-N 3.46Å; L274-S277 WeakPolarHBondContact O-CB 3.3Å; L274-S277 PolarHBondContact O-N 3.11Å; Q275-S277 VanDerWaalsContact C-N 3.29Å; Q275-S277 PolarHBondContact O-N 2.89Å; S277-K280 PolarHBondContact O-N 3.22Å; S277-L281 WeakPolarHBondContact O-CB 3.36Å; S277-L281 PolarHBondContact O-N 3.01Å; S277-S302 VanDerWaalsContact CA-O 3.28Å; S277-S302 WeakPolarHBondContact CA-O 3.5Å; S277-S302 WeakPolarHBondContact CB-O 3.47Å; S277-S302 PolarHBondContact OG-O 2.93Å; S277-W304 WeakPolarHBondContact OG-CA 3.18Å; S277-W304 PolarHBondContact OG-N 3.47Å; S277-H307 PolarHBondContact OG-CD2 3.46Å
278	L	97.9	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-46	176.9	177.1	63.8	0	0	0	112.3	F76 L274 Q275 K280 L281 V282 W304 A384 P395 L398 F498	F76-L278 HydrophobicContact CE1-CD1 3.97Å; F76-L278 HydrophobicContact CE1-CD2 4.21Å; F76-L278 HydrophobicContact CE1-CG 4.43Å; F76-L278 HydrophobicContact CZ-CD1 3.74Å; F76-L278 HydrophobicContact CZ-CD2 4.38Å; L274-L278 PolarHBondContact O-N 2.84Å; Q275-L278 PolarHBondContact O-N 3.22Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 3.01Å; L278-L281 PolarHBondContact O-N 3.14Å; L278-V282 HydrophobicContact CD1-CG2 3.91Å; L278-V282 HydrophobicContact CG-CG2 4.42Å; L278-V282 WeakPolarHBondContact O-CG2 3.42Å; L278-V282 PolarHBondContact O-N 3.49Å; L278-W304 HydrophobicContact CB-CZ3 3.97Å; L278-W304 HydrophobicContact CD1-CH2 4.29Å; L278-W304 HydrophobicContact CD1-CZ3 4.04Å; L278-A384 HydrophobicContact CD2-CB 4.12Å; L278-A384 HydrophobicContact CG-CB 3.89Å; L278-P395 HydrophobicContact CB-CG 4.05Å; L278-P395 HydrophobicContact CD2-CB 3.98Å; L278-P395 HydrophobicContact CD2-CG 4.35Å; L278-L398 HydrophobicContact CD1-CD2 4.2Å; L278-F498 HydrophobicContact CD1-CE1 3.82Å
279	I	96.8	Very high	94.4	Very high	26 Å²	26	47.6 Å²	47.6	13%	0.133	23%	0.228	C	C	.	.	H	α-helix	trans	-56.7	-51.4	179.4	-67	164.5	0	0	0	109.7	Q275 E276 L281 V282 E283 A384 Q390	Q275-I279 HydrophobicContact CG-CD1 4.3Å; Q275-I279 VanDerWaalsContact O-CG1 3.3Å; Q275-I279 WeakPolarHBondContact O-CG1 3.43Å; Q275-I279 PolarHBondContact O-N 2.99Å; E276-I279 PolarHBondContact O-N 3.22Å; I279-L281 VanDerWaalsContact C-N 3.32Å; I279-L281 PolarHBondContact O-N 3.38Å; I279-V282 PolarHBondContact O-N 2.89Å; I279-E283 HydrophobicContact CG2-CG 4.45Å; I279-E283 WeakPolarHBondContact O-CB 3.35Å; I279-E283 VanDerWaalsContact O-CG 3.3Å; I279-E283 WeakPolarHBondContact O-CG 3.24Å; I279-E283 PolarHBondContact O-N 2.89Å; I279-A384 WeakPolarHBondContact CG1-O 3.41Å; I279-Q390 VanDerWaalsContact CD1-NE2 3.28Å
280	K	97.6	Very high	93.6	Very high	74 Å²	74	52.9 Å²	52.9	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-38.7	178.4	-74.9	172.1	170.8	169.2	0	112.9	E276 S277 L278 A284	E276-K280 HydrophobicContact CG-CD 4.34Å; E276-K280 WeakPolarHBondContact O-CG 3.47Å; E276-K280 PolarHBondContact O-N 2.99Å; E276-K280 VanDerWaalsContact OE1-CE 3.28Å; E276-K280 WeakPolarHBondContact OE1-CE 3.37Å; E276-K280 IonicContact OE1-NZ 3.87Å; E276-K280 PolarHBondContact OE1-NZ 2.69Å; S277-K280 PolarHBondContact O-N 3.22Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 3.01Å; K280-A284 WeakPolarHBondContact O-CB 3.45Å; K280-A284 PolarHBondContact O-N 3.38Å
281	L	98.2	Very high	93.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-49.4	177.4	177	61.1	0	0	0	111.3	S277 L278 I279 E283 A284 C285 L299 W304 L493 F498	S277-L281 WeakPolarHBondContact O-CB 3.36Å; S277-L281 PolarHBondContact O-N 3.01Å; L278-L281 PolarHBondContact O-N 3.14Å; I279-L281 VanDerWaalsContact C-N 3.32Å; I279-L281 PolarHBondContact O-N 3.38Å; L281-E283 VanDerWaalsContact C-N 3.3Å; L281-E283 PolarHBondContact O-N 3.44Å; L281-A284 WeakPolarHBondContact O-CA 3.12Å; L281-A284 VanDerWaalsContact O-CB 3.27Å; L281-A284 WeakPolarHBondContact O-CB 3.31Å; L281-A284 PolarHBondContact O-N 3.38Å; L281-C285 PolarHBondContact O-N 2.99Å; L281-C285 PolarHBondContact O-SG 3Å; L281-C285 VanDerWaalsContact O-SG 3.33Å; L281-L299 HydrophobicContact CD1-CD1 3.58Å; L281-W304 HydrophobicContact CD2-CB 3.84Å; L281-W304 HydrophobicContact CD2-CD2 3.62Å; L281-W304 HydrophobicContact CD2-CE3 4.15Å; L281-W304 HydrophobicContact CD2-CG 3.46Å; L281-W304 VanDerWaalsContact CD2-CG 3.46Å; L281-L493 HydrophobicContact CD1-CD1 3.88Å; L281-L493 HydrophobicContact CD2-CD1 4.09Å; L281-F498 HydrophobicContact CD2-CD1 3.66Å; L281-F498 HydrophobicContact CD2-CD2 4.03Å; L281-F498 HydrophobicContact CD2-CE1 3.53Å; L281-F498 HydrophobicContact CD2-CE2 3.9Å; L281-F498 HydrophobicContact CD2-CG 3.92Å; L281-F498 HydrophobicContact CD2-CZ 3.66Å; L281-F498 HydrophobicContact CG-CD1 4.19Å; L281-F498 HydrophobicContact CG-CE1 4.41Å; L281-F498 HydrophobicContact CG-CG 4.49Å
282	V	97.4	Very high	93.9	Very high	4 Å²	4	57 Å²	57	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-35.9	-179.9	172.8	0	0	0	0	111.1	F76 L278 I279 A284 C285 N286 A384 Y385 F498	F76-V282 HydrophobicContact CD1-CG1 4.36Å; F76-V282 HydrophobicContact CD1-CG2 3.68Å; F76-V282 HydrophobicContact CE1-CG2 3.78Å; F76-V282 HydrophobicContact CG-CG2 4.17Å; F76-V282 HydrophobicContact CZ-CG2 4.33Å; L278-V282 HydrophobicContact CD1-CG2 3.91Å; L278-V282 HydrophobicContact CG-CG2 4.42Å; L278-V282 WeakPolarHBondContact O-CG2 3.42Å; L278-V282 PolarHBondContact O-N 3.49Å; I279-V282 PolarHBondContact O-N 2.89Å; V282-A284 VanDerWaalsContact C-N 3.29Å; V282-A284 PolarHBondContact O-N 3.43Å; V282-C285 PolarHBondContact O-N 3.45Å; V282-N286 WeakPolarHBondContact O-CB 3.5Å; V282-N286 PolarHBondContact O-N 2.97Å; V282-N286 PolarHBondContact O-ND2 3.07Å; V282-A384 HydrophobicContact CB-CB 3.7Å; V282-A384 HydrophobicContact CG1-CB 3.92Å; V282-A384 HydrophobicContact CG2-CB 3.52Å; V282-Y385 HydrophobicContact CG1-CE1 3.66Å; V282-Y385 HydrophobicContact CG1-CE2 4.47Å; V282-Y385 WeakPolarHBondContact CG1-OH 3.39Å; V282-F498 HydrophobicContact CG2-CD1 4.49Å
283	E	95.6	Very high	94.2	Very high	116 Å²	116	58.1 Å²	58.1	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-33.9	169.6	-75.6	178.2	177.1	0	0	113.2	I279 L281	I279-E283 HydrophobicContact CG2-CG 4.45Å; I279-E283 WeakPolarHBondContact O-CB 3.35Å; I279-E283 VanDerWaalsContact O-CG 3.3Å; I279-E283 WeakPolarHBondContact O-CG 3.24Å; I279-E283 PolarHBondContact O-N 2.89Å; L281-E283 VanDerWaalsContact C-N 3.3Å; L281-E283 PolarHBondContact O-N 3.44Å
284	A	96	Very high	94.2	Very high	1 Å²	1	61 Å²	61	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-46.6	173.9	0	0	0	0	0	111.1	K280 L281 V282 N286 D287 W295 K298	K280-A284 WeakPolarHBondContact O-CB 3.45Å; K280-A284 PolarHBondContact O-N 3.38Å; L281-A284 WeakPolarHBondContact O-CA 3.12Å; L281-A284 VanDerWaalsContact O-CB 3.27Å; L281-A284 WeakPolarHBondContact O-CB 3.31Å; L281-A284 PolarHBondContact O-N 3.38Å; V282-A284 VanDerWaalsContact C-N 3.29Å; V282-A284 PolarHBondContact O-N 3.43Å; A284-N286 VanDerWaalsContact C-N 3.27Å; A284-N286 PolarHBondContact O-N 3.43Å; A284-D287 VanDerWaalsContact O-CB 3.3Å; A284-D287 WeakPolarHBondContact O-CB 3.43Å; A284-D287 PolarHBondContact O-N 3.46Å; A284-D287 VanDerWaalsContact O-N 3.12Å; A284-W295 HydrophobicContact CB-CZ3 4.2Å; A284-K298 HydrophobicContact CB-CB 3.62Å; A284-K298 HydrophobicContact CB-CD 4.31Å
285	C	95.4	Very high	94.1	Very high	9 Å²	9	64.1 Å²	64.1	6%	0.061	31%	0.308	C	S	.	.	H	α-helix	trans	-60.4	-35.4	178.7	-68.4	0	0	0	0	112.9	L281 V282 D287 F498 L499 N502	L281-C285 PolarHBondContact O-N 2.99Å; L281-C285 PolarHBondContact O-SG 3Å; L281-C285 VanDerWaalsContact O-SG 3.33Å; V282-C285 PolarHBondContact O-N 3.45Å; C285-D287 VanDerWaalsContact C-N 3.31Å; C285-D287 PolarHBondContact O-N 3.17Å; C285-F498 WeakPolarHBondContact CB-O 3.36Å; C285-L499 HydrophobicContact CB-CD2 3.82Å; C285-N502 PolarHBondContact O-ND2 3.24Å
286	N	93.7	Very high	94.1	Very high	50 Å²	50	68.7 Å²	68.7	27%	0.267	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.6	178.4	-71.9	-34.5	0	0	0	114.5	V282 A284 Q288 Y385 N502	V282-N286 WeakPolarHBondContact O-CB 3.5Å; V282-N286 PolarHBondContact O-N 2.97Å; V282-N286 PolarHBondContact O-ND2 3.07Å; A284-N286 VanDerWaalsContact C-N 3.27Å; A284-N286 PolarHBondContact O-N 3.43Å; N286-Q288 PolarHBondContact O-N 3.22Å; N286-Y385 PolarHBondContact ND2-OH 2.71Å; N286-N502 PolarHBondContact OD1-ND2 2.99Å
287	D	91.5	Very high	94.2	Very high	40 Å²	40	67.6 Å²	67.6	21%	0.214	34%	0.335	C	S	.	.			trans	-75	116.7	179.3	-164	-28.5	0	0	0	111.8	A284 C285 T289 R294 K298	A284-D287 VanDerWaalsContact O-CB 3.3Å; A284-D287 WeakPolarHBondContact O-CB 3.43Å; A284-D287 PolarHBondContact O-N 3.46Å; A284-D287 VanDerWaalsContact O-N 3.12Å; C285-D287 VanDerWaalsContact C-N 3.31Å; C285-D287 PolarHBondContact O-N 3.17Å; D287-T289 VanDerWaalsContact CG-OG1 3.31Å; D287-T289 VanDerWaalsContact OD1-CB 3.29Å; D287-T289 WeakPolarHBondContact OD1-CB 3.47Å; D287-T289 VanDerWaalsContact OD1-CG2 3.28Å; D287-T289 WeakPolarHBondContact OD1-CG2 3.27Å; D287-T289 PolarHBondContact OD1-N 3.17Å; D287-T289 PolarHBondContact OD1-OG1 2.98Å; D287-R294 IonicContact OD1-CZ 3.49Å; D287-R294 IonicContact OD1-NE 3.9Å; D287-R294 IonicContact OD1-NH2 3.84Å; D287-R294 PolarHBondContact OD1-NH2 2.84Å; D287-R294 IonicContact OD2-CZ 2.8Å; D287-R294 IonicContact OD2-NE 3.91Å; D287-R294 PolarHBondContact OD2-NE 2.88Å; D287-R294 IonicContact OD2-NH2 2.78Å; D287-R294 PolarHBondContact OD2-NH2 2.93Å; D287-K298 VanDerWaalsContact OD2-CE 3.27Å; D287-K298 WeakPolarHBondContact OD2-CE 3.35Å; D287-K298 IonicContact OD2-NZ 3.87Å; D287-K298 PolarHBondContact OD2-NZ 3.16Å
288	Q	87.6	Confident	94.2	Very high	163 Å²	163	70.6 Å²	70.6	76%	0.762	35%	0.348	S	S	*	.			trans	-89.1	3.9	-178.7	-62.7	-174.2	-18.9	0	0	114.1	N286 H290	N286-Q288 PolarHBondContact O-N 3.22Å; Q288-H290 PolarHBondContact O-CD2 3Å; Q288-H290 PolarHBondContact O-N 3.21Å
289	T	85.1	Confident	94.1	Very high	69 Å²	69	71.8 Å²	71.8	42%	0.423	35%	0.354	S	S	.	.	S	Bend	trans	-72.2	3.2	-174.1	54.9	0	0	0	0	115.1	D287 N291 R294	D287-T289 VanDerWaalsContact CG-OG1 3.31Å; D287-T289 VanDerWaalsContact OD1-CB 3.29Å; D287-T289 WeakPolarHBondContact OD1-CB 3.47Å; D287-T289 VanDerWaalsContact OD1-CG2 3.28Å; D287-T289 WeakPolarHBondContact OD1-CG2 3.27Å; D287-T289 PolarHBondContact OD1-N 3.17Å; D287-T289 PolarHBondContact OD1-OG1 2.98Å; T289-N291 PolarHBondContact O-N 2.83Å; T289-R294 VanDerWaalsContact OG1-CD 3.29Å; T289-R294 WeakPolarHBondContact OG1-CD 3.5Å; T289-R294 PolarHBondContact OG1-NE 3.26Å; T289-R294 VanDerWaalsContact OG1-NE 3.13Å
290	H	80.6	Confident	94.1	Very high	188 Å²	188	77.8 Å²	77.8	87%	0.87	38%	0.381	S	S	*	.			trans	41	39	173.2	-60.6	-59.8	0	0	0	114.5	Q288	Q288-H290 PolarHBondContact O-CD2 3Å; Q288-H290 PolarHBondContact O-N 3.21Å
291	N	93	Very high	94.2	Very high	77 Å²	77	76.7 Å²	76.7	41%	0.412	39%	0.386	S	S	.	.			trans	-117.1	125.3	-178.1	177.5	-76.4	0	0	0	110.4	T289 D293 R294 W295	T289-N291 PolarHBondContact O-N 2.83Å; N291-D293 PolarHBondContact OD1-N 3.44Å; N291-R294 HydrophobicContact CB-CB 4.06Å; N291-R294 WeakPolarHBondContact OD1-CB 3.47Å; N291-R294 PolarHBondContact OD1-N 2.97Å; N291-W295 WeakPolarHBondContact O-CB 3.42Å; N291-W295 PolarHBondContact O-N 3.05Å
292	M	94.1	Very high	94.2	Very high	125 Å²	125	76.8 Å²	76.8	62%	0.616	39%	0.387	S	S	*	.	H	α-helix	trans	-66	-46.7	-174.1	-72.7	-56.1	-57	0	0	113.5	R294 W295 L296	M292-R294 VanDerWaalsContact C-N 3.27Å; M292-R294 PolarHBondContact O-N 3.36Å; M292-W295 PolarHBondContact O-N 2.93Å; M292-L296 WeakPolarHBondContact O-CG 3.37Å; M292-L296 PolarHBondContact O-N 3.14Å
293	D	95.6	Very high	94.2	Very high	125 Å²	125	80.2 Å²	80.2	67%	0.668	41%	0.405	S	S	*	.	H	α-helix	trans	-62.1	-40.3	-178.8	-62.3	-34	0	0	0	111	N291 S297	N291-D293 PolarHBondContact OD1-N 3.44Å; D293-S297 WeakPolarHBondContact O-CB 3.11Å; D293-S297 PolarHBondContact O-N 3.32Å
294	R	95.2	Very high	94.4	Very high	112 Å²	112	74.7 Å²	74.7	42%	0.423	38%	0.379	S	S	.	.	H	α-helix	trans	-67.5	-42.2	176.7	-176.8	169	164.9	163.3	-8	112.5	D287 T289 N291 M292 K298	D287-R294 IonicContact OD1-CZ 3.49Å; D287-R294 IonicContact OD1-NE 3.9Å; D287-R294 IonicContact OD1-NH2 3.84Å; D287-R294 PolarHBondContact OD1-NH2 2.84Å; D287-R294 IonicContact OD2-CZ 2.8Å; D287-R294 IonicContact OD2-NE 3.91Å; D287-R294 PolarHBondContact OD2-NE 2.88Å; D287-R294 IonicContact OD2-NH2 2.78Å; D287-R294 PolarHBondContact OD2-NH2 2.93Å; T289-R294 VanDerWaalsContact OG1-CD 3.29Å; T289-R294 WeakPolarHBondContact OG1-CD 3.5Å; T289-R294 PolarHBondContact OG1-NE 3.26Å; T289-R294 VanDerWaalsContact OG1-NE 3.13Å; N291-R294 HydrophobicContact CB-CB 4.06Å; N291-R294 WeakPolarHBondContact OD1-CB 3.47Å; N291-R294 PolarHBondContact OD1-N 2.97Å; M292-R294 VanDerWaalsContact C-N 3.27Å; M292-R294 PolarHBondContact O-N 3.36Å; R294-K298 HydrophobicContact CG-CD 4.46Å; R294-K298 WeakPolarHBondContact O-CB 3.23Å; R294-K298 WeakPolarHBondContact O-CG 3.3Å; R294-K298 PolarHBondContact O-N 2.99Å
295	W	95.2	Very high	94.5	Very high	70 Å²	70	76.7 Å²	76.7	27%	0.265	39%	0.389	S	S	.	.	H	α-helix	trans	-58.4	-53.1	174.3	166	-108.9	0	0	0	111.1	A284 N291 M292 S297 K298 L299 L493 L499	A284-W295 HydrophobicContact CB-CZ3 4.2Å; N291-W295 WeakPolarHBondContact O-CB 3.42Å; N291-W295 PolarHBondContact O-N 3.05Å; M292-W295 PolarHBondContact O-N 2.93Å; W295-S297 PolarHBondContact O-N 3.09Å; W295-K298 PolarHBondContact O-N 3.45Å; W295-L299 HydrophobicContact CZ2-CD2 4.29Å; W295-L299 WeakPolarHBondContact O-CB 3.25Å; W295-L299 PolarHBondContact O-N 3.3Å; W295-L493 HydrophobicContact CH2-CD2 3.65Å; W295-L493 HydrophobicContact CZ2-CD2 3.69Å; W295-L499 HydrophobicContact CH2-CD2 4.25Å
296	L	96.3	Very high	94.6	Very high	95 Å²	95	79.4 Å²	79.4	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-62.6	-43.2	-178.8	-66.8	175	0	0	0	111.5	M292 K298 L299 E300	M292-L296 WeakPolarHBondContact O-CG 3.37Å; M292-L296 PolarHBondContact O-N 3.14Å; L296-K298 PolarHBondContact O-N 3.04Å; L296-L299 PolarHBondContact O-N 3.23Å; L296-E300 WeakPolarHBondContact O-CB 3.28Å; L296-E300 PolarHBondContact O-N 3.08Å
297	S	97.1	Very high	94.9	Very high	72 Å²	72	77.9 Å²	77.9	50%	0.503	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-43	177.8	178.7	0	0	0	0	112.4	D293 W295 A301	D293-S297 WeakPolarHBondContact O-CB 3.11Å; D293-S297 PolarHBondContact O-N 3.32Å; W295-S297 PolarHBondContact O-N 3.09Å; S297-A301 VanDerWaalsContact O-CB 3.28Å; S297-A301 WeakPolarHBondContact O-CB 3.45Å; S297-A301 PolarHBondContact O-N 2.91Å
298	K	97.6	Very high	95.2	Very high	67 Å²	67	76 Å²	76	29%	0.291	39%	0.387	S	S	.	.	H	α-helix	trans	-68.7	-40.6	176.8	-77.1	-174	157.9	-163.5	0	112.4	A284 D287 R294 W295 L296 E300 A301 S302	A284-K298 HydrophobicContact CB-CB 3.62Å; A284-K298 HydrophobicContact CB-CD 4.31Å; D287-K298 VanDerWaalsContact OD2-CE 3.27Å; D287-K298 WeakPolarHBondContact OD2-CE 3.35Å; D287-K298 IonicContact OD2-NZ 3.87Å; D287-K298 PolarHBondContact OD2-NZ 3.16Å; R294-K298 HydrophobicContact CG-CD 4.46Å; R294-K298 WeakPolarHBondContact O-CB 3.23Å; R294-K298 WeakPolarHBondContact O-CG 3.3Å; R294-K298 PolarHBondContact O-N 2.99Å; W295-K298 PolarHBondContact O-N 3.45Å; L296-K298 PolarHBondContact O-N 3.04Å; K298-E300 VanDerWaalsContact C-N 3.34Å; K298-A301 PolarHBondContact O-N 2.84Å; K298-S302 PolarHBondContact O-N 3.01Å
299	L	96.7	Very high	95.7	Very high	25 Å²	25	71.2 Å²	71.2	13%	0.131	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-45.8	175.6	-179.4	62	0	0	0	110.7	L281 W295 L296 S302 L305 L493	L281-L299 HydrophobicContact CD1-CD1 3.58Å; W295-L299 HydrophobicContact CZ2-CD2 4.29Å; W295-L299 WeakPolarHBondContact O-CB 3.25Å; W295-L299 PolarHBondContact O-N 3.3Å; L296-L299 PolarHBondContact O-N 3.23Å; L299-S302 WeakPolarHBondContact O-CB 3.46Å; L299-S302 PolarHBondContact O-N 3.22Å; L299-S302 PolarHBondContact O-OG 3.06Å; L299-L305 HydrophobicContact CD2-CD1 4.32Å; L299-L493 HydrophobicContact CD1-CD1 4.34Å
300	E	97.3	Very high	96.4	Very high	151 Å²	151	70.9 Å²	70.9	71%	0.706	36%	0.358	S	S	*	.	H	α-helix	trans	-61	-47.4	173.8	-177.2	179.8	-166.7	0	0	111.6	L296 K298 S302 N303	L296-E300 WeakPolarHBondContact O-CB 3.28Å; L296-E300 PolarHBondContact O-N 3.08Å; K298-E300 VanDerWaalsContact C-N 3.34Å; E300-S302 PolarHBondContact O-N 3.37Å; E300-S302 VanDerWaalsContact O-N 3.15Å; E300-N303 PolarHBondContact O-N 3.2Å
301	A	98.2	Very high	97.2	Very high	52 Å²	52	62 Å²	62	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-24.5	179.9	0	0	0	0	0	113.6	S297 K298 N303	S297-A301 VanDerWaalsContact O-CB 3.28Å; S297-A301 WeakPolarHBondContact O-CB 3.45Å; S297-A301 PolarHBondContact O-N 2.91Å; K298-A301 PolarHBondContact O-N 2.84Å; A301-N303 VanDerWaalsContact C-N 3.27Å; A301-N303 PolarHBondContact O-N 3.49Å; A301-N303 PolarHBondContact O-ND2 3.33Å
302	S	98.2	Very high	97.5	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-67.5	-25.2	174	80.5	0	0	0	0	113.2	S277 K298 L299 E300 W304	S277-S302 VanDerWaalsContact CA-O 3.28Å; S277-S302 WeakPolarHBondContact CA-O 3.5Å; S277-S302 WeakPolarHBondContact CB-O 3.47Å; S277-S302 PolarHBondContact OG-O 2.93Å; K298-S302 PolarHBondContact O-N 3.01Å; L299-S302 WeakPolarHBondContact O-CB 3.46Å; L299-S302 PolarHBondContact O-N 3.22Å; L299-S302 PolarHBondContact O-OG 3.06Å; E300-S302 PolarHBondContact O-N 3.37Å; E300-S302 VanDerWaalsContact O-N 3.15Å; S302-W304 PolarHBondContact O-N 2.94Å; S302-W304 VanDerWaalsContact O-N 3.08Å; S302-W304 PolarHBondContact OG-N 3.16Å
303	N	98.4	Very high	97.7	Very high	76 Å²	76	53.8 Å²	53.8	41%	0.406	28%	0.276	S	S	.	.			trans	57	9.8	-171.2	-66.9	-78.4	0	0	0	115.8	E300 A301 L305 T306 H307	E300-N303 PolarHBondContact O-N 3.2Å; A301-N303 VanDerWaalsContact C-N 3.27Å; A301-N303 PolarHBondContact O-N 3.49Å; A301-N303 PolarHBondContact O-ND2 3.33Å; N303-L305 PolarHBondContact O-N 2.87Å; N303-T306 WeakPolarHBondContact O-CA 3.46Å; N303-T306 VanDerWaalsContact O-CB 3.27Å; N303-T306 WeakPolarHBondContact O-CB 3.38Å; N303-T306 PolarHBondContact O-N 2.92Å; N303-T306 VanDerWaalsContact O-N 3.09Å; N303-H307 PolarHBondContact O-CD2 3.22Å; N303-H307 VanDerWaalsContact O-CD2 3.24Å; N303-H307 PolarHBondContact O-N 3.46Å
304	W	98.7	Very high	97.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-52.7	-175.1	-176	-96.8	0	0	0	112.6	S277 L278 L281 S302 T306 H307 I308 P395 L398 L399 D402 F498	S277-W304 WeakPolarHBondContact OG-CA 3.18Å; S277-W304 PolarHBondContact OG-N 3.47Å; L278-W304 HydrophobicContact CB-CZ3 3.97Å; L278-W304 HydrophobicContact CD1-CH2 4.29Å; L278-W304 HydrophobicContact CD1-CZ3 4.04Å; L281-W304 HydrophobicContact CD2-CB 3.84Å; L281-W304 HydrophobicContact CD2-CD2 3.62Å; L281-W304 HydrophobicContact CD2-CE3 4.15Å; L281-W304 HydrophobicContact CD2-CG 3.46Å; L281-W304 VanDerWaalsContact CD2-CG 3.46Å; S302-W304 PolarHBondContact O-N 2.94Å; S302-W304 VanDerWaalsContact O-N 3.08Å; S302-W304 PolarHBondContact OG-N 3.16Å; W304-T306 PolarHBondContact O-N 3.02Å; W304-H307 WeakPolarHBondContact O-CB 3.43Å; W304-H307 PolarHBondContact O-N 2.9Å; W304-I308 PolarHBondContact O-N 3.16Å; W304-P395 HydrophobicContact CH2-CB 3.98Å; W304-P395 HydrophobicContact CH2-CG 4.06Å; W304-P395 HydrophobicContact CZ3-CB 4.18Å; W304-P395 HydrophobicContact CZ3-CG 3.78Å; W304-L398 HydrophobicContact CH2-CD2 3.96Å; W304-L398 HydrophobicContact CH2-CG 4.03Å; W304-L398 HydrophobicContact CZ2-CD2 4.37Å; W304-L398 HydrophobicContact CZ2-CG 4.18Å; W304-L399 HydrophobicContact CD2-CD2 4Å; W304-L399 HydrophobicContact CE3-CD2 4.01Å; W304-L399 HydrophobicContact CH2-CD2 3.53Å; W304-L399 HydrophobicContact CH2-CG 3.6Å; W304-L399 HydrophobicContact CZ2-CD2 3.49Å; W304-L399 VanDerWaalsContact CZ2-CD2 3.49Å; W304-L399 HydrophobicContact CZ2-CG 3.94Å; W304-L399 HydrophobicContact CZ3-CD2 3.78Å; W304-L399 HydrophobicContact CZ3-CG 4.01Å; W304-D402 PolarHBondContact NE1-OD2 3.47Å; W304-F498 HydrophobicContact CD2-CZ 4.41Å; W304-F498 AromaticContact CE2-CE2 3.97Å; W304-F498 AromaticContact CE2-CZ 3.63Å; W304-F498 HydrophobicContact CH2-CZ 4.08Å; W304-F498 HydrophobicContact CZ2-CE1 4.45Å; W304-F498 HydrophobicContact CZ2-CE2 4.1Å; W304-F498 AromaticContact CZ2-CZ 3.46Å; W304-F498 HydrophobicContact CZ2-CZ 3.46Å; W304-F498 VanDerWaalsContact CZ2-CZ 3.46Å; W304-F498 AromaticContact NE1-CE2 3.72Å; W304-F498 AromaticContact NE1-CZ 3.88Å
305	L	98.5	Very high	98.1	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.225	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-27.6	179	-63.3	177.7	0	0	0	112.5	L299 N303 K309	L299-L305 HydrophobicContact CD2-CD1 4.32Å; N303-L305 PolarHBondContact O-N 2.87Å; L305-K309 WeakPolarHBondContact O-CB 3.24Å; L305-K309 PolarHBondContact O-N 2.95Å
306	T	98.4	Very high	98.2	Very high	67 Å²	67	40 Å²	40	41%	0.411	22%	0.217	S	C	.	.	H	α-helix	trans	-64.4	-45.2	171.3	-56.4	0	0	0	0	110.5	N303 W304 K309 E310	N303-T306 WeakPolarHBondContact O-CA 3.46Å; N303-T306 VanDerWaalsContact O-CB 3.27Å; N303-T306 WeakPolarHBondContact O-CB 3.38Å; N303-T306 PolarHBondContact O-N 2.92Å; N303-T306 VanDerWaalsContact O-N 3.09Å; W304-T306 PolarHBondContact O-N 3.02Å; T306-K309 PolarHBondContact O-N 3.1Å; T306-E310 WeakPolarHBondContact O-CG 3.33Å; T306-E310 PolarHBondContact O-N 3.25Å
307	H	98.7	Very high	98.3	Very high	18 Å²	18	36.9 Å²	36.9	8%	0.083	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-44.2	176.4	-60.5	-42.5	0	0	0	112.1	L274 S277 N303 W304 K309 E310 I311 L399	L274-H307 HydrophobicContact CD2-CB 4.28Å; S277-H307 PolarHBondContact OG-CD2 3.46Å; N303-H307 PolarHBondContact O-CD2 3.22Å; N303-H307 VanDerWaalsContact O-CD2 3.24Å; N303-H307 PolarHBondContact O-N 3.46Å; W304-H307 WeakPolarHBondContact O-CB 3.43Å; W304-H307 PolarHBondContact O-N 2.9Å; H307-K309 VanDerWaalsContact C-N 3.34Å; H307-K309 PolarHBondContact O-N 2.9Å; H307-E310 PolarHBondContact O-N 3.42Å; H307-I311 WeakPolarHBondContact O-CD1 3.43Å; H307-I311 VanDerWaalsContact O-CG1 3.27Å; H307-I311 WeakPolarHBondContact O-CG1 3.29Å; H307-I311 PolarHBondContact O-N 2.87Å; H307-L399 HydrophobicContact CB-CD2 4.22Å
308	I	98.8	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-55.9	-48.3	174.4	-64.6	-60.7	0	0	0	111.1	W304 E310 I311 L312 L399 D402 Q406 L491	W304-I308 PolarHBondContact O-N 3.16Å; I308-E310 PolarHBondContact O-N 2.87Å; I308-I311 PolarHBondContact O-N 3.01Å; I308-L312 HydrophobicContact CG2-CD1 3.91Å; I308-L312 WeakPolarHBondContact O-CB 3.37Å; I308-L312 WeakPolarHBondContact O-CG 3.49Å; I308-L312 PolarHBondContact O-N 3.27Å; I308-L399 HydrophobicContact CD1-CD2 3.62Å; I308-L399 HydrophobicContact CG1-CD2 4.27Å; I308-D402 HydrophobicContact CD1-CB 3.58Å; I308-D402 VanDerWaalsContact CD1-CG 3.49Å; I308-Q406 HydrophobicContact CG2-CG 3.77Å; I308-L491 HydrophobicContact CG2-CD2 4.48Å
309	K	98.6	Very high	98.5	Very high	63 Å²	63	30.2 Å²	30.2	27%	0.274	16%	0.163	S	C	.	.	H	α-helix	trans	-57.8	-48.1	177.2	170.9	174.3	163.5	-82.2	0	112.3	L305 T306 H307 T313 P488 L491	L305-K309 WeakPolarHBondContact O-CB 3.24Å; L305-K309 PolarHBondContact O-N 2.95Å; T306-K309 PolarHBondContact O-N 3.1Å; H307-K309 VanDerWaalsContact C-N 3.34Å; H307-K309 PolarHBondContact O-N 2.9Å; K309-T313 VanDerWaalsContact O-CB 3.25Å; K309-T313 WeakPolarHBondContact O-CB 3.31Å; K309-T313 PolarHBondContact O-N 3.03Å; K309-T313 PolarHBondContact O-OG1 2.97Å; K309-P488 HydrophobicContact CD-CG 4.16Å; K309-L491 HydrophobicContact CB-CD1 3.67Å; K309-L491 HydrophobicContact CG-CD1 4.35Å
310	E	98.6	Very high	98.6	Very high	62 Å²	62	33.3 Å²	33.3	29%	0.29	18%	0.177	S	C	.	.	H	α-helix	trans	-68.2	-38.3	-176.9	-66.2	-49.9	130.1	0	0	112.1	T306 H307 I308 T313 A314	T306-E310 WeakPolarHBondContact O-CG 3.33Å; T306-E310 PolarHBondContact O-N 3.25Å; H307-E310 PolarHBondContact O-N 3.42Å; I308-E310 PolarHBondContact O-N 2.87Å; E310-T313 PolarHBondContact O-N 3.33Å; E310-A314 PolarHBondContact O-N 3.21Å
311	I	98.8	Very high	98.6	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-63.5	-50.4	175.2	-67.1	163.8	0	0	0	110.6	I268 H307 I308 T313 A314 A315 Q342 L346 L399	I268-I311 HydrophobicContact CD1-CG1 4.09Å; I268-I311 HydrophobicContact CG1-CG1 4.18Å; I268-I311 HydrophobicContact CG2-CD1 4.38Å; I268-I311 HydrophobicContact CG2-CG1 3.86Å; H307-I311 WeakPolarHBondContact O-CD1 3.43Å; H307-I311 VanDerWaalsContact O-CG1 3.27Å; H307-I311 WeakPolarHBondContact O-CG1 3.29Å; H307-I311 PolarHBondContact O-N 2.87Å; I308-I311 PolarHBondContact O-N 3.01Å; I311-T313 VanDerWaalsContact C-N 3.31Å; I311-T313 PolarHBondContact O-N 2.7Å; I311-A314 PolarHBondContact O-N 3.49Å; I311-A315 PolarHBondContact O-N 3.09Å; I311-Q342 HydrophobicContact CG2-CB 4.1Å; I311-L346 HydrophobicContact CG2-CD1 3.42Å; I311-L346 VanDerWaalsContact CG2-CD1 3.42Å; I311-L399 HydrophobicContact CD1-CB 4.08Å; I311-L399 HydrophobicContact CD1-CD1 4.4Å
312	L	98.8	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.5	-38.3	177.2	-74.4	171.9	0	0	0	111.8	I308 A314 A315 C316 L346 C403 Q406 I407 V486 L491	I308-L312 HydrophobicContact CG2-CD1 3.91Å; I308-L312 WeakPolarHBondContact O-CB 3.37Å; I308-L312 WeakPolarHBondContact O-CG 3.49Å; I308-L312 PolarHBondContact O-N 3.27Å; L312-A314 VanDerWaalsContact C-N 3.32Å; L312-A314 PolarHBondContact O-N 2.91Å; L312-A315 PolarHBondContact O-N 3.26Å; L312-C316 WeakPolarHBondContact O-CB 3.4Å; L312-C316 PolarHBondContact O-N 2.95Å; L312-C316 PolarHBondContact O-SG 3.48Å; L312-C316 VanDerWaalsContact O-SG 3.37Å; L312-L346 HydrophobicContact CD2-CD1 4.49Å; L312-C403 HydrophobicContact CD2-CB 3.81Å; L312-C403 HydrophobicContact CG-CB 4.07Å; L312-Q406 HydrophobicContact CD1-CB 4Å; L312-Q406 HydrophobicContact CD1-CG 4.24Å; L312-I407 HydrophobicContact CD2-CD1 3.95Å; L312-I407 HydrophobicContact CD2-CG1 4.02Å; L312-V486 HydrophobicContact CB-CG1 3.67Å; L312-L491 HydrophobicContact CD1-CD2 3.75Å
313	T	98.8	Very high	98.6	Very high	30 Å²	30	25.4 Å²	25.4	18%	0.184	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-41.6	176.3	-62.7	0	0	0	0	111.4	K309 E310 I311 L317	K309-T313 VanDerWaalsContact O-CB 3.25Å; K309-T313 WeakPolarHBondContact O-CB 3.31Å; K309-T313 PolarHBondContact O-N 3.03Å; K309-T313 PolarHBondContact O-OG1 2.97Å; E310-T313 PolarHBondContact O-N 3.33Å; I311-T313 VanDerWaalsContact C-N 3.31Å; I311-T313 PolarHBondContact O-N 2.7Å; T313-L317 PolarHBondContact O-N 2.85Å
314	A	98.8	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-41.6	175.8	0	0	0	0	0	112	K266 I268 E310 I311 L312 L317 A318 V343	K266-A314 HydrophobicContact CB-CB 3.91Å; K266-A314 HydrophobicContact CG-CB 4.24Å; I268-A314 HydrophobicContact CD1-CB 4.09Å; E310-A314 PolarHBondContact O-N 3.21Å; I311-A314 PolarHBondContact O-N 3.49Å; L312-A314 VanDerWaalsContact C-N 3.32Å; L312-A314 PolarHBondContact O-N 2.91Å; A314-L317 PolarHBondContact O-N 2.72Å; A314-A318 PolarHBondContact O-N 3.48Å; A314-V343 HydrophobicContact CB-CG1 4.34Å; A314-V343 HydrophobicContact CB-CG2 3.73Å
315	A	98.8	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-43.6	176.7	0	0	0	0	0	112.7	I311 L312 L317 A318 A319 L346 I350	I311-A315 PolarHBondContact O-N 3.09Å; L312-A315 PolarHBondContact O-N 3.26Å; A315-L317 VanDerWaalsContact C-N 3.33Å; A315-L317 PolarHBondContact O-N 3.08Å; A315-A318 WeakPolarHBondContact O-CB 3.44Å; A315-A318 PolarHBondContact O-N 3.24Å; A315-A319 PolarHBondContact O-N 2.88Å; A315-L346 HydrophobicContact CB-CB 3.43Å; A315-L346 VanDerWaalsContact CB-CB 3.43Å; A315-L346 HydrophobicContact CB-CD1 4.26Å; A315-L346 HydrophobicContact CB-CG 4.5Å; A315-I350 HydrophobicContact CB-CD1 4.27Å
316	C	98.8	Very high	98.3	Very high	18 Å²	18	32.3 Å²	32.3	12%	0.122	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-40.5	174.2	-74.4	0	0	0	0	111.7	L312 A319 Q320	L312-C316 WeakPolarHBondContact O-CB 3.4Å; L312-C316 PolarHBondContact O-N 2.95Å; L312-C316 PolarHBondContact O-SG 3.48Å; L312-C316 VanDerWaalsContact O-SG 3.37Å; C316-A319 PolarHBondContact O-N 2.98Å; C316-Q320 VanDerWaalsContact O-CB 3.25Å; C316-Q320 WeakPolarHBondContact O-CB 3.27Å; C316-Q320 PolarHBondContact O-N 3.1Å
317	L	98.7	Very high	98.3	Very high	28 Å²	28	29.5 Å²	29.5	15%	0.147	14%	0.14	C	C	.	.	H	α-helix	trans	-61.6	-47.2	173.4	175.5	64.5	0	0	0	111.2	I234 I264 K266 T313 A314 A315 A319 Q320 C321	I234-L317 HydrophobicContact CD1-CD2 4.42Å; I234-L317 HydrophobicContact CD1-CG 4.39Å; I264-L317 HydrophobicContact CD1-CD2 4.31Å; I264-L317 HydrophobicContact CG2-CD2 3.99Å; K266-L317 HydrophobicContact CD-CD2 4.22Å; K266-L317 HydrophobicContact CG-CD2 3.93Å; T313-L317 PolarHBondContact O-N 2.85Å; A314-L317 PolarHBondContact O-N 2.72Å; A315-L317 VanDerWaalsContact C-N 3.33Å; A315-L317 PolarHBondContact O-N 3.08Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.37Å; L317-Q320 PolarHBondContact O-N 2.99Å; L317-Q320 VanDerWaalsContact O-N 3.17Å; L317-C321 PolarHBondContact O-N 3.22Å; L317-C321 PolarHBondContact O-SG 2.89Å
318	A	98.8	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57.8	-46.7	177.9	0	0	0	0	0	111.5	I234 A314 A315 Q320 C321 I322 I329 I331 V343 A347	I234-A318 HydrophobicContact CD1-CB 3.96Å; A314-A318 PolarHBondContact O-N 3.48Å; A315-A318 WeakPolarHBondContact O-CB 3.44Å; A315-A318 PolarHBondContact O-N 3.24Å; A318-Q320 PolarHBondContact O-N 3.43Å; A318-C321 PolarHBondContact O-N 2.95Å; A318-I322 WeakPolarHBondContact O-CG1 3.4Å; A318-I322 PolarHBondContact O-N 3.22Å; A318-I329 HydrophobicContact CB-CD1 3.55Å; A318-I331 HydrophobicContact CB-CD1 4.05Å; A318-V343 HydrophobicContact CB-CG1 3.98Å; A318-A347 HydrophobicContact CB-CB 3.9Å
319	A	98.8	Very high	98.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-40.6	175.1	0	0	0	0	0	112.6	A315 C316 L317 I322 D323 I350 L351 W483	A315-A319 PolarHBondContact O-N 2.88Å; C316-A319 PolarHBondContact O-N 2.98Å; L317-A319 VanDerWaalsContact C-N 3.33Å; L317-A319 PolarHBondContact O-N 3.37Å; A319-I322 PolarHBondContact O-N 3.32Å; A319-D323 WeakPolarHBondContact O-CB 3.45Å; A319-D323 PolarHBondContact O-N 3.39Å; A319-I350 HydrophobicContact CB-CB 4.14Å; A319-I350 HydrophobicContact CB-CD1 4.47Å; A319-I350 HydrophobicContact CB-CG2 3.45Å; A319-I350 VanDerWaalsContact CB-CG2 3.45Å; A319-L351 HydrophobicContact CB-CD1 4.3Å; A319-L351 HydrophobicContact CB-CD2 3.98Å; A319-L351 HydrophobicContact CB-CG 3.91Å; A319-W483 HydrophobicContact CB-CH2 3.93Å; A319-W483 HydrophobicContact CB-CZ3 3.83Å
320	Q	98.4	Very high	98.2	Very high	90 Å²	90	25.7 Å²	25.7	42%	0.421	12%	0.123	S	C	.	.	H	α-helix	trans	-63.1	-44	178.6	-177.6	178.1	-2.9	0	0	112	C316 L317 A318 I322 R324 E325 W483	C316-Q320 VanDerWaalsContact O-CB 3.25Å; C316-Q320 WeakPolarHBondContact O-CB 3.27Å; C316-Q320 PolarHBondContact O-N 3.1Å; L317-Q320 PolarHBondContact O-N 2.99Å; L317-Q320 VanDerWaalsContact O-N 3.17Å; A318-Q320 PolarHBondContact O-N 3.43Å; Q320-I322 VanDerWaalsContact C-N 3.26Å; Q320-I322 PolarHBondContact O-N 2.72Å; Q320-R324 HydrophobicContact CG-CB 4.1Å; Q320-R324 HydrophobicContact CG-CG 4.21Å; Q320-R324 WeakPolarHBondContact O-CA 3.31Å; Q320-R324 WeakPolarHBondContact O-CB 3.33Å; Q320-R324 PolarHBondContact O-N 2.94Å; Q320-E325 PolarHBondContact O-N 3.08Å; Q320-E325 VanDerWaalsContact O-N 3.09Å; Q320-W483 HydrophobicContact CB-CH2 4.11Å; Q320-W483 HydrophobicContact CB-CZ3 4.05Å
321	C	98.3	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.5	-41.9	175.4	-68.4	0	0	0	0	111.5	Y232 L317 A318 G326 A327 I329	Y232-C321 HydrophobicContact CD2-CB 4.05Å; Y232-C321 HydrophobicContact CE2-CB 4.47Å; L317-C321 PolarHBondContact O-N 3.22Å; L317-C321 PolarHBondContact O-SG 2.89Å; A318-C321 PolarHBondContact O-N 2.95Å; C321-G326 PolarHBondContact O-N 3.24Å; C321-G326 VanDerWaalsContact O-N 3.15Å; C321-A327 CarbonylContact C-O 3.55Å; C321-A327 PolarHBondContact O-N 2.83Å; C321-I329 HydrophobicContact CB-CG2 3.5Å
322	I	98.1	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.9	-54.3	-178.8	-66.7	-70.8	0	0	0	111.9	Y190 H192 N195 M197 V198 I199 A318 A319 Q320 I329 L351	Y190-I322 HydrophobicContact CE1-CG2 4.4Å; H192-I322 HydrophobicContact CB-CG2 3.66Å; H192-I322 VanDerWaalsContact CD2-CG2 3.42Å; H192-I322 WeakPolarHBondContact CD2-CG2 3.5Å; N195-I322 PolarHBondContact ND2-O 2.87Å; M197-I322 HydrophobicContact CB-CD1 3.9Å; M197-I322 HydrophobicContact CB-CG2 4.38Å; V198-I322 WeakPolarHBondContact O-CD1 3.14Å; I199-I322 HydrophobicContact CD1-CG1 4.15Å; I199-I322 HydrophobicContact CG1-CD1 3.71Å; I199-I322 HydrophobicContact CG1-CG1 3.75Å; A318-I322 WeakPolarHBondContact O-CG1 3.4Å; A318-I322 PolarHBondContact O-N 3.22Å; A319-I322 PolarHBondContact O-N 3.32Å; Q320-I322 VanDerWaalsContact C-N 3.26Å; Q320-I322 PolarHBondContact O-N 2.72Å; I322-I329 HydrophobicContact CD1-CD1 4.45Å; I322-I329 HydrophobicContact CD1-CG1 4.2Å; I322-I329 HydrophobicContact CG1-CD1 4.11Å; I322-I329 HydrophobicContact CG1-CG1 4.39Å; I322-L351 HydrophobicContact CB-CD1 4.06Å; I322-L351 HydrophobicContact CG1-CD1 4.38Å; I322-L351 HydrophobicContact CG2-CD1 3.85Å; I322-L351 HydrophobicContact CG2-CD2 4.28Å
323	D	97.8	Very high	98.1	Very high	37 Å²	37	22.8 Å²	22.8	20%	0.198	11%	0.11	C	C	.	.	H	α-helix	trans	-86	-40.2	-168.7	-168.8	68.5	0	0	0	113.2	H192 A319 L351 W483	H192-D323 IonicContact CE1-OD1 2.69Å; H192-D323 IonicContact NE2-OD1 2.68Å; H192-D323 PolarHBondContact NE2-OD1 3.5Å; A319-D323 WeakPolarHBondContact O-CB 3.45Å; A319-D323 PolarHBondContact O-N 3.39Å; D323-L351 HydrophobicContact CB-CD2 3.72Å; D323-W483 HydrophobicContact CB-CH2 4.44Å; D323-W483 HydrophobicContact CB-CZ2 4.2Å
324	R	96.9	Very high	98	Very high	169 Å²	169	22.5 Å²	22.5	64%	0.638	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-44.3	-173.5	-56.8	-59.9	-169.4	163	0.8	112.9	Q320 W483	Q320-R324 HydrophobicContact CG-CB 4.1Å; Q320-R324 HydrophobicContact CG-CG 4.21Å; Q320-R324 WeakPolarHBondContact O-CA 3.31Å; Q320-R324 WeakPolarHBondContact O-CB 3.33Å; Q320-R324 PolarHBondContact O-N 2.94Å; R324-W483 HydrophobicContact CG-CH2 4.27Å; R324-W483 HydrophobicContact CG-CZ2 4.02Å
325	E	96.3	Very high	97.8	Very high	83 Å²	83	25.1 Å²	25.1	39%	0.388	12%	0.121	S	C	.	.	S	Bend	trans	-85.8	-19.6	-178.1	-58.4	-173.9	-158.1	0	0	112.7	Y232 Q320 A327	Y232-E325 WeakPolarHBondContact CE2-OE2 3.38Å; Y232-E325 PolarHBondContact OH-OE2 3.05Å; Q320-E325 PolarHBondContact O-N 3.08Å; Q320-E325 VanDerWaalsContact O-N 3.09Å; E325-A327 VanDerWaalsContact C-N 3.35Å; E325-A327 HydrophobicContact CB-CB 4.45Å
326	G	96.4	Very high	97.7	Very high	13 Å²	13	25.2 Å²	25.2	13%	0.134	12%	0.122	C	C	.	.			trans	60.9	46.1	-176.1	0	0	0	0	0	111.5	M197 C321	M197-G326 VanDerWaalsContact CG-C 3.48Å; C321-G326 PolarHBondContact O-N 3.24Å; C321-G326 VanDerWaalsContact O-N 3.15Å
327	A	97.5	Very high	97.7	Very high	7 Å²	7	25 Å²	25	6%	0.058	12%	0.12	C	C	.	.			trans	-120.9	137.3	178.9	0	0	0	0	0	110.8	Y232 C321 E325	Y232-A327 HydrophobicContact CD2-CB 3.75Å; Y232-A327 HydrophobicContact CE2-CB 3.68Å; C321-A327 CarbonylContact C-O 3.55Å; C321-A327 PolarHBondContact O-N 2.83Å; E325-A327 VanDerWaalsContact C-N 3.35Å; E325-A327 HydrophobicContact CB-CB 4.45Å
328	S	98	Very high	97.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.007	12%	0.118	C	C	.	.			trans	-78.1	148.9	172.7	-63.6	0	0	0	0	110.6	M197 V198 G231 Y232	M197-S328 PolarHBondContact SD-OG 3.46Å; V198-S328 PolarHBondContact N-OG 3.18Å; V198-S328 VanDerWaalsContact N-OG 3.15Å; V198-S328 CarbonylContact O-C 3.56Å; V198-S328 WeakPolarHBondContact O-CA 3.44Å; G231-S328 CarbonylContact C-O 3.45Å; G231-S328 WeakPolarHBondContact CA-O 3.32Å; Y232-S328 PolarHBondContact N-O 2.82Å
329	I	98.6	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.9	-174.5	70.5	-178.4	0	0	0	112	V198 I199 M200 Y232 I234 A318 C321 I322 I331	V198-I329 PolarHBondContact O-N 3.17Å; I199-I329 HydrophobicContact CB-CD1 4.42Å; I199-I329 HydrophobicContact CB-CG1 4.11Å; I199-I329 HydrophobicContact CD1-CD1 4.26Å; I199-I329 HydrophobicContact CG1-CD1 3.85Å; I199-I329 HydrophobicContact CG1-CG1 3.88Å; I199-I329 HydrophobicContact CG2-CD1 4.1Å; I199-I329 HydrophobicContact CG2-CG1 3.96Å; M200-I329 PolarHBondContact N-O 2.92Å; Y232-I329 HydrophobicContact CD2-CG2 4.49Å; Y232-I329 CarbonylContact O-C 3.57Å; Y232-I329 VanDerWaalsContact O-CA 3.24Å; Y232-I329 WeakPolarHBondContact O-CA 3.29Å; I234-I329 HydrophobicContact CD1-CD1 4.25Å; A318-I329 HydrophobicContact CB-CD1 3.55Å; C321-I329 HydrophobicContact CB-CG2 3.5Å; I322-I329 HydrophobicContact CD1-CD1 4.45Å; I322-I329 HydrophobicContact CD1-CG1 4.2Å; I322-I329 HydrophobicContact CG1-CD1 4.11Å; I322-I329 HydrophobicContact CG1-CG1 4.39Å; I329-I331 HydrophobicContact CD1-CD1 3.81Å; I329-I331 HydrophobicContact CD1-CG1 4.08Å; I329-I331 HydrophobicContact CG1-CD1 4.39Å; I329-I331 HydrophobicContact CG1-CG1 4.23Å
330	L	98.8	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.4	165.5	177.5	63.2	0	0	0	108.2	P186 M200 I221 Y232 I233 I234 W261	P186-L330 HydrophobicContact CB-CD1 4.04Å; P186-L330 HydrophobicContact CG-CD1 4.21Å; P186-L330 HydrophobicContact CG-CD2 4.43Å; M200-L330 HydrophobicContact CB-CD1 3.59Å; M200-L330 HydrophobicContact CE-CB 4.13Å; I221-L330 HydrophobicContact CG2-CD2 4.26Å; Y232-L330 PolarHBondContact O-N 3.18Å; I233-L330 CarbonylContact C-O 3.45Å; I233-L330 VanDerWaalsContact CA-O 3.3Å; I233-L330 WeakPolarHBondContact CA-O 3.38Å; I233-L330 HydrophobicContact CG1-CB 4.29Å; I233-L330 HydrophobicContact CG1-CD2 4.47Å; I234-L330 PolarHBondContact N-O 2.99Å; W261-L330 HydrophobicContact CZ3-CB 4.21Å
331	I	98.9	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.1	177.4	-51	177.8	0	0	0	108.4	I199 M200 R201 S202 I234 T236 A318 I329 T340 V343 T344	I199-I331 HydrophobicContact CG2-CD1 3.76Å; I199-I331 HydrophobicContact CG2-CG1 4.28Å; M200-I331 PolarHBondContact O-N 3.06Å; R201-I331 WeakPolarHBondContact CA-O 3.5Å; S202-I331 PolarHBondContact N-O 2.84Å; I234-I331 HydrophobicContact CB-CG1 4.29Å; I234-I331 WeakPolarHBondContact O-CA 3.23Å; T236-I331 HydrophobicContact CG2-CG2 3.99Å; A318-I331 HydrophobicContact CB-CD1 4.05Å; I329-I331 HydrophobicContact CD1-CD1 3.81Å; I329-I331 HydrophobicContact CD1-CG1 4.08Å; I329-I331 HydrophobicContact CG1-CD1 4.39Å; I329-I331 HydrophobicContact CG1-CG1 4.23Å; I331-T340 HydrophobicContact CB-CG2 4.29Å; I331-T340 HydrophobicContact CG2-CG2 4.01Å; I331-T340 WeakPolarHBondContact O-CG2 3.36Å; I331-V343 HydrophobicContact CD1-CB 4.46Å; I331-V343 HydrophobicContact CD1-CG1 3.75Å; I331-V343 HydrophobicContact CG2-CB 4.33Å; I331-V343 HydrophobicContact CG2-CG1 4.34Å; I331-T344 HydrophobicContact CB-CG2 4.24Å; I331-T344 HydrophobicContact CD1-CG2 3.84Å; I331-T344 HydrophobicContact CG1-CG2 4.5Å
332	H	98.7	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.2	171.5	66.4	82.7	0	0	0	112	S202 I233 I234 D235 T236 E253 T340	S202-H332 WeakPolarHBondContact O-CB 3.39Å; I233-H332 WeakPolarHBondContact CG2-NE2 3.21Å; I234-H332 PolarHBondContact O-N 3.06Å; I234-H332 VanDerWaalsContact O-N 3.1Å; D235-H332 CarbonylContact C-O 3.31Å; D235-H332 WeakPolarHBondContact CA-O 3.4Å; D235-H332 IonicContact OD2-CE1 3.53Å; T236-H332 PolarHBondContact N-O 2.84Å; T236-H332 PolarHBondContact OG1-O 3.18Å; E253-H332 IonicContact OE1-CD2 3.07Å; E253-H332 IonicContact OE1-NE2 2.76Å; E253-H332 PolarHBondContact OE1-NE2 3.37Å; E253-H332 VanDerWaalsContact OE1-NE2 3.16Å; E253-H332 IonicContact OE2-CD2 3.23Å; E253-H332 IonicContact OE2-CE1 3.51Å; E253-H332 IonicContact OE2-NE2 2.91Å; E253-H332 PolarHBondContact OE2-NE2 3.29Å; H332-T340 VanDerWaalsContact C-OG1 3.29Å; H332-T340 WeakPolarHBondContact CA-OG1 3.48Å
333	G	96.1	Very high	97.7	Very high	2 Å²	2	21.1 Å²	21.1	2%	0.021	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-153.2	162.9	0	0	0	0	0	108.7	Q204 T236 T340	Q204-G333 PolarHBondContact N-O 2.69Å; T236-G333 VanDerWaalsContact OG1-CA 3.25Å; T236-G333 WeakPolarHBondContact OG1-CA 3.23Å; G333-T340 PolarHBondContact N-OG1 3.45Å
334	T	95.7	Very high	97.7	Very high	24 Å²	24	19.3 Å²	19.3	15%	0.147	9%	0.094	C	C	.	.	S	Bend	trans	-61.2	-61	176.2	-54.1	0	0	0	0	111.1	Q204 R237	Q204-T334 WeakPolarHBondContact CG-O 3.37Å; Q204-T334 PolarHBondContact N-O 3.02Å; R237-T334 VanDerWaalsContact CD-OG1 3.31Å; R237-T334 WeakPolarHBondContact CD-OG1 3.4Å
335	E	96.1	Very high	97.8	Very high	55 Å²	55	11.3 Å²	11.3	26%	0.257	6%	0.064	S	C	.	.	S	Bend	trans	-97.9	-19.7	-178.2	-69.1	146	143.9	0	0	112.3	R184 R270 T337	R184-E335 WeakPolarHBondContact CD-O 3.47Å; R184-E335 PolarHBondContact NE-O 3.32Å; R270-E335 IonicContact NH2-OE2 3.38Å; R270-E335 PolarHBondContact NH2-OE2 3.14Å; E335-T337 VanDerWaalsContact C-N 3.31Å; E335-T337 HydrophobicContact CB-CG2 4.35Å; E335-T337 PolarHBondContact O-N 3.4Å
336	G	97.1	Very high	97.9	Very high	3 Å²	3	7.3 Å²	7.3	3%	0.031	5%	0.045	C	C	.	.	S	Bend	trans	70.2	26.5	-177	0	0	0	0	0	114	R184 S202 T340	R184-G336 PolarHBondContact NH2-O 3.48Å; S202-G336 WeakPolarHBondContact O-CA 3.38Å; G336-T340 WeakPolarHBondContact CA-OG1 3.34Å
337	T	97.1	Very high	98	Very high	12 Å²	12	6.7 Å²	6.7	7%	0.074	4%	0.039	C	C	.	.	S	Bend	trans	-120	-8.4	-176	53.3	0	0	0	0	114.1	R184 E335 L341 G373 H374	R184-T337 VanDerWaalsContact CZ-CG2 3.5Å; E335-T337 VanDerWaalsContact C-N 3.31Å; E335-T337 HydrophobicContact CB-CG2 4.35Å; E335-T337 PolarHBondContact O-N 3.4Å; T337-L341 WeakPolarHBondContact O-CD1 3.41Å; T337-G373 WeakPolarHBondContact CG2-O 3.48Å; T337-H374 PolarHBondContact O-ND1 3.25Å
338	D	97.8	Very high	98.1	Very high	19 Å²	19	6.5 Å²	6.5	10%	0.102	4%	0.037	C	C	.	.	S	Bend	trans	-119.6	-98.5	-179.1	-64.5	-47.9	0	0	0	109.9	T340 L341 Q342 H374 R379 V396	D338-T340 PolarHBondContact O-N 2.81Å; D338-T340 VanDerWaalsContact O-N 3.09Å; D338-L341 WeakPolarHBondContact O-CA 3.31Å; D338-L341 WeakPolarHBondContact O-CB 3.39Å; D338-L341 PolarHBondContact O-N 2.83Å; D338-Q342 PolarHBondContact O-N 3.25Å; D338-Q342 VanDerWaalsContact O-N 3.17Å; D338-H374 IonicContact OD1-CE1 2.99Å; D338-H374 PolarHBondContact OD1-CE1 2.87Å; D338-H374 VanDerWaalsContact OD1-CE1 3.24Å; D338-H374 IonicContact OD1-ND1 3.52Å; D338-R379 IonicContact OD1-CZ 3.79Å; D338-R379 IonicContact OD1-NE 2.65Å; D338-R379 PolarHBondContact OD1-NE 3.25Å; D338-R379 IonicContact OD1-NH2 3.79Å; D338-R379 PolarHBondContact OD1-NH2 3.16Å; D338-R379 IonicContact OD2-CZ 2.69Å; D338-R379 IonicContact OD2-NE 3.73Å; D338-R379 PolarHBondContact OD2-NE 3.45Å; D338-R379 IonicContact OD2-NH2 3.89Å; D338-R379 PolarHBondContact OD2-NH2 3.26Å; D338-V396 HydrophobicContact CB-CG1 3.96Å; D338-V396 HydrophobicContact CB-CG2 4.27Å
339	S	98.1	Very high	98.1	Very high	17 Å²	17	6.4 Å²	6.4	12%	0.119	4%	0.036	C	C	.	.	H	α-helix	trans	-58.1	-29	-176.2	55.2	0	0	0	0	114.4	T236 L341 Q342 V343	T236-S339 WeakPolarHBondContact CB-OG 3.36Å; T236-S339 PolarHBondContact OG1-OG 3.4Å; S339-L341 VanDerWaalsContact C-N 3.33Å; S339-L341 PolarHBondContact O-N 3.39Å; S339-Q342 PolarHBondContact O-N 3.22Å; S339-V343 VanDerWaalsContact O-CG2 3.3Å; S339-V343 WeakPolarHBondContact O-CG2 3.38Å; S339-V343 PolarHBondContact O-N 3.07Å; S339-V343 VanDerWaalsContact O-N 3.07Å
340	T	98.8	Very high	98.1	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-58.7	-45.4	170.9	-57.1	0	0	0	0	111.8	R201 I331 H332 G333 G336 D338 V343 T344	R201-T340 HydrophobicContact CB-CG2 3.92Å; I331-T340 HydrophobicContact CB-CG2 4.29Å; I331-T340 HydrophobicContact CG2-CG2 4.01Å; I331-T340 WeakPolarHBondContact O-CG2 3.36Å; H332-T340 VanDerWaalsContact C-OG1 3.29Å; H332-T340 WeakPolarHBondContact CA-OG1 3.48Å; G333-T340 PolarHBondContact N-OG1 3.45Å; G336-T340 WeakPolarHBondContact CA-OG1 3.34Å; D338-T340 PolarHBondContact O-N 2.81Å; D338-T340 VanDerWaalsContact O-N 3.09Å; T340-V343 PolarHBondContact O-N 2.97Å; T340-T344 HydrophobicContact CG2-CG2 4.37Å; T340-T344 VanDerWaalsContact O-CG2 3.27Å; T340-T344 WeakPolarHBondContact O-CG2 3.36Å; T340-T344 PolarHBondContact O-N 3.43Å; T340-T344 PolarHBondContact O-OG1 3.27Å; T340-T344 VanDerWaalsContact O-OG1 3.13Å
341	L	98.7	Very high	98.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-72.5	-34	-177.9	-52.8	-175.1	0	0	0	111.6	T337 D338 S339 T344 S345 E368 W369 A372 H374	T337-L341 WeakPolarHBondContact O-CD1 3.41Å; D338-L341 WeakPolarHBondContact O-CA 3.31Å; D338-L341 WeakPolarHBondContact O-CB 3.39Å; D338-L341 PolarHBondContact O-N 2.83Å; S339-L341 VanDerWaalsContact C-N 3.33Å; S339-L341 PolarHBondContact O-N 3.39Å; L341-T344 WeakPolarHBondContact CA-OG1 3.32Å; L341-T344 PolarHBondContact O-OG1 3.43Å; L341-S345 WeakPolarHBondContact O-CB 3.46Å; L341-S345 PolarHBondContact O-N 3.27Å; L341-S345 PolarHBondContact O-OG 2.97Å; L341-E368 WeakPolarHBondContact CD1-O 3.46Å; L341-E368 WeakPolarHBondContact CD2-O 3.39Å; L341-W369 HydrophobicContact CB-CZ2 4.47Å; L341-A372 HydrophobicContact CD1-CB 4.04Å; L341-A372 HydrophobicContact CD2-CB 3.94Å; L341-H374 HydrophobicContact CD1-CB 3.82Å
342	Q	98.8	Very high	98	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-58.2	-51.8	170.9	-65.8	179.1	-48.8	0	0	110.7	I311 D338 S339 L346 W369 V396 F400	I311-Q342 HydrophobicContact CG2-CB 4.1Å; D338-Q342 PolarHBondContact O-N 3.25Å; D338-Q342 VanDerWaalsContact O-N 3.17Å; S339-Q342 PolarHBondContact O-N 3.22Å; Q342-L346 WeakPolarHBondContact O-CB 3.39Å; Q342-L346 WeakPolarHBondContact O-CD1 3.13Å; Q342-L346 VanDerWaalsContact O-CG 3.27Å; Q342-L346 WeakPolarHBondContact O-CG 3.3Å; Q342-L346 PolarHBondContact O-N 3.43Å; Q342-W369 HydrophobicContact CG-CH2 3.76Å; Q342-W369 HydrophobicContact CG-CZ2 4.2Å; Q342-V396 HydrophobicContact CG-CG1 3.99Å; Q342-V396 PolarHBondContact NE2-O 2.77Å; Q342-F400 HydrophobicContact CG-CB 4.31Å
343	V	98.9	Very high	97.9	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.6	-44	-177	-179.9	0	0	0	0	111.6	T236 I268 A314 A318 I331 S339 T340 S345 A347	T236-V343 HydrophobicContact CG2-CG2 4.28Å; I268-V343 HydrophobicContact CD1-CG2 3.55Å; A314-V343 HydrophobicContact CB-CG1 4.34Å; A314-V343 HydrophobicContact CB-CG2 3.73Å; A318-V343 HydrophobicContact CB-CG1 3.98Å; I331-V343 HydrophobicContact CD1-CB 4.46Å; I331-V343 HydrophobicContact CD1-CG1 3.75Å; I331-V343 HydrophobicContact CG2-CB 4.33Å; I331-V343 HydrophobicContact CG2-CG1 4.34Å; S339-V343 VanDerWaalsContact O-CG2 3.3Å; S339-V343 WeakPolarHBondContact O-CG2 3.38Å; S339-V343 PolarHBondContact O-N 3.07Å; S339-V343 VanDerWaalsContact O-N 3.07Å; T340-V343 PolarHBondContact O-N 2.97Å; V343-S345 PolarHBondContact O-N 2.99Å; V343-A347 VanDerWaalsContact O-CB 3.24Å; V343-A347 WeakPolarHBondContact O-CB 3.48Å; V343-A347 PolarHBondContact O-N 3.37Å
344	T	98.8	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.9	-41.2	179	55.9	0	0	0	0	111.6	I199 R201 I331 T340 L341 Q348 E368	I199-T344 HydrophobicContact CG2-CG2 3.99Å; R201-T344 HydrophobicContact CB-CG2 4.15Å; I331-T344 HydrophobicContact CB-CG2 4.24Å; I331-T344 HydrophobicContact CD1-CG2 3.84Å; I331-T344 HydrophobicContact CG1-CG2 4.5Å; T340-T344 HydrophobicContact CG2-CG2 4.37Å; T340-T344 VanDerWaalsContact O-CG2 3.27Å; T340-T344 WeakPolarHBondContact O-CG2 3.36Å; T340-T344 PolarHBondContact O-N 3.43Å; T340-T344 PolarHBondContact O-OG1 3.27Å; T340-T344 VanDerWaalsContact O-OG1 3.13Å; L341-T344 WeakPolarHBondContact CA-OG1 3.32Å; L341-T344 PolarHBondContact O-OG1 3.43Å; T344-Q348 VanDerWaalsContact O-CG 3.27Å; T344-Q348 WeakPolarHBondContact O-CG 3.3Å; T344-Q348 PolarHBondContact O-N 3.43Å; T344-Q348 PolarHBondContact O-NE2 3.27Å; T344-E368 WeakPolarHBondContact CB-OE2 3.48Å; T344-E368 PolarHBondContact OG1-OE2 3.13Å
345	S	98.9	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-68.1	-47.8	179.5	-56	0	0	0	0	111.8	L341 V343 A347 Q348 I349 E368 W369 F400	L341-S345 WeakPolarHBondContact O-CB 3.46Å; L341-S345 PolarHBondContact O-N 3.27Å; L341-S345 PolarHBondContact O-OG 2.97Å; V343-S345 PolarHBondContact O-N 2.99Å; S345-A347 PolarHBondContact O-N 3.41Å; S345-Q348 WeakPolarHBondContact O-CB 3.45Å; S345-Q348 PolarHBondContact O-N 3.41Å; S345-Q348 VanDerWaalsContact O-N 3.14Å; S345-I349 WeakPolarHBondContact O-CG1 3.4Å; S345-I349 PolarHBondContact O-N 2.87Å; S345-E368 VanDerWaalsContact OG-CB 3.27Å; S345-E368 WeakPolarHBondContact OG-CB 3.38Å; S345-W369 PolarHBondContact OG-NE1 3.06Å; S345-F400 VanDerWaalsContact CB-CE2 3.46Å
346	L	98.9	Very high	98.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66.2	-37.9	-179.9	-71.1	166.3	0	0	0	112.4	I311 L312 A315 Q342 Q348 I349 I350 F400 C403 V404 I407	I311-L346 HydrophobicContact CG2-CD1 3.42Å; I311-L346 VanDerWaalsContact CG2-CD1 3.42Å; L312-L346 HydrophobicContact CD2-CD1 4.49Å; A315-L346 HydrophobicContact CB-CB 3.43Å; A315-L346 VanDerWaalsContact CB-CB 3.43Å; A315-L346 HydrophobicContact CB-CD1 4.26Å; A315-L346 HydrophobicContact CB-CG 4.5Å; Q342-L346 WeakPolarHBondContact O-CB 3.39Å; Q342-L346 WeakPolarHBondContact O-CD1 3.13Å; Q342-L346 VanDerWaalsContact O-CG 3.27Å; Q342-L346 WeakPolarHBondContact O-CG 3.3Å; Q342-L346 PolarHBondContact O-N 3.43Å; L346-Q348 VanDerWaalsContact C-N 3.25Å; L346-Q348 PolarHBondContact O-N 3.33Å; L346-I349 HydrophobicContact CD2-CD1 4.37Å; L346-I349 PolarHBondContact O-N 3.44Å; L346-I350 WeakPolarHBondContact O-CG1 3.47Å; L346-I350 PolarHBondContact O-N 3.44Å; L346-F400 HydrophobicContact CD1-CD2 4.49Å; L346-F400 HydrophobicContact CD2-CD2 4.04Å; L346-F400 HydrophobicContact CD2-CE2 4.05Å; L346-F400 HydrophobicContact CG-CD2 3.91Å; L346-F400 HydrophobicContact CG-CE2 4.09Å; L346-C403 HydrophobicContact CD1-CB 3.6Å; L346-C403 HydrophobicContact CD2-CB 3.65Å; L346-C403 HydrophobicContact CG-CB 4.28Å; L346-V404 HydrophobicContact CD2-CG2 3.84Å; L346-I407 HydrophobicContact CD2-CD1 3.99Å
347	A	98.9	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.7	-39.5	173.2	0	0	0	0	0	111.2	I199 A318 V343 S345 I350 L351	I199-A347 HydrophobicContact CD1-CB 3.91Å; A318-A347 HydrophobicContact CB-CB 3.9Å; V343-A347 VanDerWaalsContact O-CB 3.24Å; V343-A347 WeakPolarHBondContact O-CB 3.48Å; V343-A347 PolarHBondContact O-N 3.37Å; S345-A347 PolarHBondContact O-N 3.41Å; A347-I350 PolarHBondContact O-N 2.82Å; A347-L351 VanDerWaalsContact O-CB 3.31Å; A347-L351 WeakPolarHBondContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CD1 3.39Å; A347-L351 WeakPolarHBondContact O-CG 3.47Å; A347-L351 PolarHBondContact O-N 2.91Å
348	Q	98.7	Very high	98.3	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.009	6%	0.057	C	C	.	.	H	α-helix	trans	-68.8	-35.7	176.3	-71.3	-176.7	71.7	0	0	113.2	S189 Y190 T344 S345 L346 I350 L351 E352 S355 L364 E368	S189-Q348 PolarHBondContact OG-NE2 3.15Å; Y190-Q348 HydrophobicContact CD2-CG 3.83Å; Y190-Q348 HydrophobicContact CG-CG 3.82Å; T344-Q348 VanDerWaalsContact O-CG 3.27Å; T344-Q348 WeakPolarHBondContact O-CG 3.3Å; T344-Q348 PolarHBondContact O-N 3.43Å; T344-Q348 PolarHBondContact O-NE2 3.27Å; S345-Q348 WeakPolarHBondContact O-CB 3.45Å; S345-Q348 PolarHBondContact O-N 3.41Å; S345-Q348 VanDerWaalsContact O-N 3.14Å; L346-Q348 VanDerWaalsContact C-N 3.25Å; L346-Q348 PolarHBondContact O-N 3.33Å; Q348-I350 VanDerWaalsContact C-N 3.32Å; Q348-L351 PolarHBondContact O-N 3.24Å; Q348-E352 WeakPolarHBondContact O-CA 3.46Å; Q348-E352 VanDerWaalsContact O-CB 3.3Å; Q348-E352 WeakPolarHBondContact O-CB 3.43Å; Q348-E352 PolarHBondContact O-N 3.34Å; Q348-S355 PolarHBondContact O-OG 2.86Å; Q348-L364 HydrophobicContact CB-CD1 4.11Å; Q348-E368 PolarHBondContact NE2-OE1 2.98Å
349	I	98.8	Very high	98.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65	-38.6	174.2	-67.9	163.3	0	0	0	111.3	S345 L346 R356 F361 L364 F400 V404 I407 F415	S345-I349 WeakPolarHBondContact O-CG1 3.4Å; S345-I349 PolarHBondContact O-N 2.87Å; L346-I349 HydrophobicContact CD2-CD1 4.37Å; L346-I349 PolarHBondContact O-N 3.44Å; I349-R356 HydrophobicContact CG2-CG 4.25Å; I349-F361 HydrophobicContact CD1-CD2 4.23Å; I349-F361 HydrophobicContact CD1-CE2 3.6Å; I349-F361 HydrophobicContact CG1-CE2 4.35Å; I349-L364 HydrophobicContact CD1-CD2 3.79Å; I349-L364 HydrophobicContact CG1-CD2 3.59Å; I349-F400 HydrophobicContact CD1-CE2 3.85Å; I349-F400 HydrophobicContact CD1-CZ 3.97Å; I349-V404 HydrophobicContact CD1-CG2 3.55Å; I349-I407 HydrophobicContact CG2-CD1 4.37Å; I349-F415 HydrophobicContact CG2-CE1 3.74Å; I349-F415 HydrophobicContact CG2-CZ 3.75Å
350	I	98.8	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.3	-44.3	175.6	-73.1	165.2	0	0	0	111.2	A315 A319 L346 A347 Q348 I407 V481 I482 W483 P484	A315-I350 HydrophobicContact CB-CD1 4.27Å; A319-I350 HydrophobicContact CB-CB 4.14Å; A319-I350 HydrophobicContact CB-CD1 4.47Å; A319-I350 HydrophobicContact CB-CG2 3.45Å; A319-I350 VanDerWaalsContact CB-CG2 3.45Å; L346-I350 WeakPolarHBondContact O-CG1 3.47Å; L346-I350 PolarHBondContact O-N 3.44Å; A347-I350 PolarHBondContact O-N 2.82Å; Q348-I350 VanDerWaalsContact C-N 3.32Å; I350-I407 HydrophobicContact CG1-CD1 4.3Å; I350-V481 HydrophobicContact CG2-CG1 3.77Å; I350-V481 WeakPolarHBondContact O-CA 3.46Å; I350-V481 WeakPolarHBondContact O-CG1 3.3Å; I350-I482 VanDerWaalsContact CG2-O 3.3Å; I350-I482 WeakPolarHBondContact CG2-O 3.35Å; I350-I482 PolarHBondContact O-N 3.16Å; I350-W483 HydrophobicContact CG2-CE3 4.47Å; I350-W483 HydrophobicContact CG2-CZ3 4.45Å; I350-P484 HydrophobicContact CD1-CG 4.22Å; I350-P484 HydrophobicContact CG1-CG 4.4Å
351	L	98.6	Very high	98.2	Very high	4 Å²	4	14 Å²	14	2%	0.021	7%	0.065	C	C	.	.	H	α-helix	trans	-85.4	-37.9	-170.3	-69.1	168.5	0	0	0	114.4	Y190 I199 A319 I322 D323 A347 Q348 V481	Y190-L351 HydrophobicContact CD1-CD1 4.16Å; Y190-L351 HydrophobicContact CE1-CB 4.26Å; Y190-L351 HydrophobicContact CE1-CD1 3.75Å; I199-L351 HydrophobicContact CD1-CD1 4.11Å; A319-L351 HydrophobicContact CB-CD1 4.3Å; A319-L351 HydrophobicContact CB-CD2 3.98Å; A319-L351 HydrophobicContact CB-CG 3.91Å; I322-L351 HydrophobicContact CB-CD1 4.06Å; I322-L351 HydrophobicContact CG1-CD1 4.38Å; I322-L351 HydrophobicContact CG2-CD1 3.85Å; I322-L351 HydrophobicContact CG2-CD2 4.28Å; D323-L351 HydrophobicContact CB-CD2 3.72Å; A347-L351 VanDerWaalsContact O-CB 3.31Å; A347-L351 WeakPolarHBondContact O-CB 3.27Å; A347-L351 WeakPolarHBondContact O-CD1 3.39Å; A347-L351 WeakPolarHBondContact O-CG 3.47Å; A347-L351 PolarHBondContact O-N 2.91Å; Q348-L351 PolarHBondContact O-N 3.24Å; L351-V481 HydrophobicContact CD2-CG1 4.17Å; L351-V481 HydrophobicContact CD2-CG2 4.39Å
352	E	96.1	Very high	98.2	Very high	43 Å²	43	14 Å²	14	20%	0.201	7%	0.065	C	C	.	.			trans	-117.3	114.3	-163.2	178	55.8	-107.9	0	0	111.6	Y190 Q348 R354 S355	Y190-E352 HydrophobicContact CE2-CB 3.89Å; Y190-E352 HydrophobicContact CE2-CG 4.28Å; Q348-E352 WeakPolarHBondContact O-CA 3.46Å; Q348-E352 VanDerWaalsContact O-CB 3.3Å; Q348-E352 WeakPolarHBondContact O-CB 3.43Å; Q348-E352 PolarHBondContact O-N 3.34Å; E352-R354 VanDerWaalsContact C-N 3.25Å; E352-R354 HydrophobicContact CG-CB 4.03Å; E352-R354 PolarHBondContact O-N 2.97Å; E352-R354 PolarHBondContact OE1-N 3.01Å; E352-R354 VanDerWaalsContact OE1-N 3.15Å; E352-S355 WeakPolarHBondContact O-CB 3.25Å; E352-S355 PolarHBondContact O-N 3.27Å; E352-S355 VanDerWaalsContact O-N 3.11Å
353	P	97	Very high	98.2	Very high	29 Å²	29	14.4 Å²	14.4	19%	0.188	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-51.9	-38.3	174.6	-25.7	30.9	0	0	0	114.7	S355 R356 N479	P353-S355 PolarHBondContact O-N 2.71Å; P353-R356 VanDerWaalsContact CA-NH2 3.34Å; P353-R356 WeakPolarHBondContact O-CB 3.43Å; P353-R356 PolarHBondContact O-N 2.65Å; P353-N479 HydrophobicContact CG-CB 4.4Å
354	R	96.3	Very high	98.2	Very high	76 Å²	76	14.5 Å²	14.5	29%	0.287	7%	0.07	S	C	.	.	G	3₁₀ helix	trans	-59.2	-37.1	179.5	-171.3	179.9	62.4	134.2	-1.7	111.8	E132 L135 E352 R356 T357 G360	E132-R354 IonicContact OE1-CZ 2.72Å; E132-R354 IonicContact OE1-NH2 3.99Å; E132-R354 PolarHBondContact OE1-NH2 3.18Å; E132-R354 IonicContact OE2-CZ 2.63Å; E132-R354 VanDerWaalsContact OE2-CZ 3.28Å; E132-R354 IonicContact OE2-NH1 3.16Å; E132-R354 PolarHBondContact OE2-NH1 3.44Å; E132-R354 IonicContact OE2-NH2 2.96Å; E132-R354 PolarHBondContact OE2-NH2 3.2Å; L135-R354 VanDerWaalsContact CD1-CZ 3.42Å; E352-R354 VanDerWaalsContact C-N 3.25Å; E352-R354 HydrophobicContact CG-CB 4.03Å; E352-R354 PolarHBondContact O-N 2.97Å; E352-R354 PolarHBondContact OE1-N 3.01Å; E352-R354 VanDerWaalsContact OE1-N 3.15Å; R354-R356 PolarHBondContact O-N 3.08Å; R354-T357 PolarHBondContact O-N 2.76Å; R354-T357 VanDerWaalsContact O-N 3.1Å; R354-T357 PolarHBondContact O-OG1 3.23Å; R354-G360 VanDerWaalsContact O-CA 3.26Å; R354-G360 WeakPolarHBondContact O-CA 3.21Å
355	S	97.6	Very high	98.2	Very high	4 Å²	4	14.5 Å²	14.5	3%	0.028	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-64.9	-5.2	178.5	-53.2	0	0	0	0	114	Q348 E352 P353 F361	Q348-S355 PolarHBondContact O-OG 2.86Å; E352-S355 WeakPolarHBondContact O-CB 3.25Å; E352-S355 PolarHBondContact O-N 3.27Å; E352-S355 VanDerWaalsContact O-N 3.11Å; P353-S355 PolarHBondContact O-N 2.71Å; S355-F361 WeakPolarHBondContact O-CD2 3.16Å
356	R	98.6	Very high	98.1	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.008	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-106.7	-1.8	179.6	-58.6	178.8	-85.1	168	-8.2	113	I349 P353 R354 S414 F415 E416 N478 L480 I482	I349-R356 HydrophobicContact CG2-CG 4.25Å; P353-R356 VanDerWaalsContact CA-NH2 3.34Å; P353-R356 WeakPolarHBondContact O-CB 3.43Å; P353-R356 PolarHBondContact O-N 2.65Å; R354-R356 PolarHBondContact O-N 3.08Å; R356-S414 VanDerWaalsContact CB-O 3.32Å; R356-S414 WeakPolarHBondContact CB-O 3.28Å; R356-F415 HydrophobicContact CB-CD1 3.8Å; R356-F415 HydrophobicContact CB-CE1 4.05Å; R356-F415 HydrophobicContact CB-CG 4.33Å; R356-F415 HydrophobicContact CG-CD1 3.95Å; R356-F415 HydrophobicContact CG-CE1 3.66Å; R356-F415 HydrophobicContact CG-CZ 4.04Å; R356-F415 WeakPolarHBondContact O-CA 3.36Å; R356-E416 PolarHBondContact O-N 3.31Å; R356-N478 PolarHBondContact NH1-O 2.9Å; R356-N478 PolarHBondContact NH2-O 3.31Å; R356-L480 PolarHBondContact NH2-O 3.25Å; R356-I482 VanDerWaalsContact NH1-CG2 3.32Å
357	T	98.4	Very high	98	Very high	35 Å²	35	16.5 Å²	16.5	22%	0.215	8%	0.078	C	C	.	.	S	Bend	trans	-85.2	158.1	168.1	70.5	0	0	0	0	109.9	R354 G360 F361 E416 F475	R354-T357 PolarHBondContact O-N 2.76Å; R354-T357 VanDerWaalsContact O-N 3.1Å; R354-T357 PolarHBondContact O-OG1 3.23Å; T357-G360 PolarHBondContact O-N 3.07Å; T357-G360 PolarHBondContact OG1-N 3.11Å; T357-F361 VanDerWaalsContact O-CB 3.29Å; T357-F361 WeakPolarHBondContact O-CB 3.38Å; T357-F361 PolarHBondContact O-N 2.74Å; T357-E416 VanDerWaalsContact CA-OE2 3.29Å; T357-E416 WeakPolarHBondContact CA-OE2 3.4Å; T357-E416 WeakPolarHBondContact CB-OE2 3.45Å; T357-F475 HydrophobicContact CG2-CZ 4.41Å
358	I	98.2	Very high	98	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.015	8%	0.078	C	C	.	.	H	α-helix	trans	-55.8	-56.5	177.3	-70.2	165.2	0	0	0	108.9	G360 F361 E362 E416 F417 F421 L467	I358-G360 VanDerWaalsContact C-N 3.33Å; I358-G360 PolarHBondContact O-N 3.02Å; I358-F361 PolarHBondContact O-N 2.95Å; I358-F361 VanDerWaalsContact O-N 3.16Å; I358-E362 WeakPolarHBondContact O-CG 3.29Å; I358-E362 PolarHBondContact O-N 2.89Å; I358-E416 HydrophobicContact CD1-CG 4.14Å; I358-E416 HydrophobicContact CG1-CB 4.41Å; I358-E416 HydrophobicContact CG1-CG 4.18Å; I358-E416 PolarHBondContact N-OE2 3.09Å; I358-F417 HydrophobicContact CG1-CB 3.78Å; I358-F421 HydrophobicContact CG2-CE2 4.2Å; I358-F421 HydrophobicContact CG2-CZ 4.19Å; I358-L467 HydrophobicContact CB-CD1 4.45Å; I358-L467 HydrophobicContact CD1-CD1 3.64Å; I358-L467 HydrophobicContact CD1-CG 4.43Å; I358-L467 HydrophobicContact CG2-CD1 3.81Å
359	R	97.5	Very high	98	Very high	88 Å²	88	16.4 Å²	16.4	33%	0.332	8%	0.078	S	C	.	.	H	α-helix	trans	-61.4	-38.6	-179.7	-63.3	-54.2	-166.6	131.8	6.7	113.7	E121 F127 F361 E362 A363 N462	E121-R359 IonicContact OE1-CZ 3.44Å; E121-R359 IonicContact OE1-NH1 2.85Å; E121-R359 PolarHBondContact OE1-NH1 2.98Å; E121-R359 IonicContact OE1-NH2 3.06Å; E121-R359 IonicContact OE2-CZ 2.76Å; E121-R359 IonicContact OE2-NH1 2.81Å; E121-R359 PolarHBondContact OE2-NH1 2.76Å; E121-R359 IonicContact OE2-NH2 2.71Å; E121-R359 PolarHBondContact OE2-NH2 2.69Å; F127-R359 WeakPolarHBondContact CE1-O 3.48Å; R359-F361 VanDerWaalsContact C-N 3.34Å; R359-E362 WeakPolarHBondContact CD-OE2 3.27Å; R359-E362 IonicContact NE-OE2 3.21Å; R359-A363 WeakPolarHBondContact O-CB 3.28Å; R359-A363 PolarHBondContact O-N 3.28Å; R359-N462 WeakPolarHBondContact CD-OD1 3.31Å; R359-N462 PolarHBondContact NE-OD1 2.74Å; R359-N462 PolarHBondContact NH1-ND2 3.22Å
360	G	97.8	Very high	98	Very high	6 Å²	6	16.6 Å²	16.6	6%	0.062	8%	0.079	C	C	.	.	H	α-helix	trans	-73.8	-28.4	179.5	0	0	0	0	0	112.9	R354 T357 I358 L364	R354-G360 VanDerWaalsContact O-CA 3.26Å; R354-G360 WeakPolarHBondContact O-CA 3.21Å; T357-G360 PolarHBondContact O-N 3.07Å; T357-G360 PolarHBondContact OG1-N 3.11Å; I358-G360 VanDerWaalsContact C-N 3.33Å; I358-G360 PolarHBondContact O-N 3.02Å; G360-L364 WeakPolarHBondContact O-CB 3.32Å; G360-L364 PolarHBondContact O-N 3.21Å
361	F	98.8	Very high	97.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-74	-38.4	171.9	-163.9	-97.1	0	0	0	112.2	I349 S355 T357 I358 R359 L364 I365 F400 L401 V404 F417 F421 L422 L425	I349-F361 HydrophobicContact CD1-CD2 4.23Å; I349-F361 HydrophobicContact CD1-CE2 3.6Å; I349-F361 HydrophobicContact CG1-CE2 4.35Å; S355-F361 WeakPolarHBondContact O-CD2 3.16Å; T357-F361 VanDerWaalsContact O-CB 3.29Å; T357-F361 WeakPolarHBondContact O-CB 3.38Å; T357-F361 PolarHBondContact O-N 2.74Å; I358-F361 PolarHBondContact O-N 2.95Å; I358-F361 VanDerWaalsContact O-N 3.16Å; R359-F361 VanDerWaalsContact C-N 3.34Å; F361-L364 HydrophobicContact CD2-CD2 4.34Å; F361-L364 WeakPolarHBondContact O-CB 3.5Å; F361-L364 PolarHBondContact O-N 2.88Å; F361-I365 HydrophobicContact CD1-CD1 3.62Å; F361-I365 HydrophobicContact CD1-CG1 4.24Å; F361-I365 HydrophobicContact CE1-CD1 3.5Å; F361-I365 HydrophobicContact CE1-CG1 4.17Å; F361-I365 HydrophobicContact CZ-CD1 4.49Å; F361-I365 WeakPolarHBondContact O-CG1 3.48Å; F361-I365 PolarHBondContact O-N 3.24Å; F361-F400 HydrophobicContact CE2-CE1 4.48Å; F361-F400 AromaticContact CE2-CZ 3.98Å; F361-F400 HydrophobicContact CE2-CZ 3.98Å; F361-F400 AromaticContact CZ-CE1 3.82Å; F361-F400 HydrophobicContact CZ-CE1 3.82Å; F361-F400 AromaticContact CZ-CZ 3.78Å; F361-F400 HydrophobicContact CZ-CZ 3.78Å; F361-L401 HydrophobicContact CE1-CD2 4.37Å; F361-L401 HydrophobicContact CZ-CD2 4.34Å; F361-V404 HydrophobicContact CE2-CG1 3.84Å; F361-V404 HydrophobicContact CE2-CG2 3.95Å; F361-V404 HydrophobicContact CZ-CB 4.44Å; F361-V404 HydrophobicContact CZ-CG1 4.02Å; F361-V404 HydrophobicContact CZ-CG2 4Å; F361-F417 HydrophobicContact CB-CD1 4.19Å; F361-F417 HydrophobicContact CB-CE1 3.61Å; F361-F417 HydrophobicContact CB-CZ 4.35Å; F361-F417 HydrophobicContact CD1-CE1 4.38Å; F361-F417 HydrophobicContact CD1-CZ 4.44Å; F361-F417 AromaticContact CD2-CE1 3.7Å; F361-F417 HydrophobicContact CD2-CE1 3.7Å; F361-F417 AromaticContact CD2-CZ 3.59Å; F361-F417 HydrophobicContact CD2-CZ 3.59Å; F361-F417 HydrophobicContact CE2-CE1 4.41Å; F361-F417 AromaticContact CE2-CZ 3.85Å; F361-F417 HydrophobicContact CE2-CZ 3.85Å; F361-F417 HydrophobicContact CG-CD1 4.46Å; F361-F417 AromaticContact CG-CE1 3.66Å; F361-F417 HydrophobicContact CG-CE1 3.66Å; F361-F417 AromaticContact CG-CZ 3.89Å; F361-F417 HydrophobicContact CG-CZ 3.89Å; F361-F417 HydrophobicContact CZ-CZ 4.36Å; F361-F421 HydrophobicContact CB-CE1 4.44Å; F361-F421 HydrophobicContact CD1-CD1 4.49Å; F361-F421 AromaticContact CD1-CE1 3.62Å; F361-F421 HydrophobicContact CD1-CE1 3.62Å; F361-F421 HydrophobicContact CD1-CZ 4.43Å; F361-F421 HydrophobicContact CE1-CE1 4.24Å; F361-F421 HydrophobicContact CG-CE1 4.35Å; F361-L422 HydrophobicContact CE1-CD2 4.05Å; F361-L422 HydrophobicContact CZ-CD2 4.01Å; F361-L425 HydrophobicContact CD1-CD1 4.05Å; F361-L425 HydrophobicContact CE1-CD1 3.57Å
362	E	98.6	Very high	97.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-57.7	-48.8	169.2	-66	176.6	154.4	0	0	110.9	F127 I358 R359 L364 I365 E366 F421 W458 V461 N462	F127-E362 HydrophobicContact CE1-CB 4.22Å; F127-E362 HydrophobicContact CE2-CB 3.64Å; F127-E362 HydrophobicContact CZ-CB 3.47Å; F127-E362 VanDerWaalsContact CZ-CB 3.47Å; F127-E362 HydrophobicContact CZ-CG 4.44Å; F127-E362 VanDerWaalsContact CZ-OE2 3.27Å; F127-E362 WeakPolarHBondContact CZ-OE2 3.37Å; I358-E362 WeakPolarHBondContact O-CG 3.29Å; I358-E362 PolarHBondContact O-N 2.89Å; R359-E362 WeakPolarHBondContact CD-OE2 3.27Å; R359-E362 IonicContact NE-OE2 3.21Å; E362-L364 VanDerWaalsContact C-N 3.29Å; E362-L364 PolarHBondContact O-N 3.43Å; E362-I365 PolarHBondContact O-N 2.82Å; E362-I365 VanDerWaalsContact O-N 3.16Å; E362-E366 PolarHBondContact O-N 2.87Å; E362-F421 HydrophobicContact CG-CZ 4.17Å; E362-W458 HydrophobicContact CB-CD2 4.32Å; E362-W458 HydrophobicContact CB-CE3 4.26Å; E362-W458 HydrophobicContact CB-CZ3 4.43Å; E362-W458 HydrophobicContact CG-CD2 4.14Å; E362-W458 HydrophobicContact CG-CE3 3.61Å; E362-W458 HydrophobicContact CG-CH2 4.36Å; E362-W458 HydrophobicContact CG-CZ3 3.75Å; E362-V461 WeakPolarHBondContact OE1-CG1 3.19Å; E362-N462 PolarHBondContact OE1-ND2 3.05Å; E362-N462 PolarHBondContact OE1-OD1 2.84Å; E362-N462 PolarHBondContact OE2-ND2 3.49Å
363	A	97.9	Very high	97.9	Very high	11 Å²	11	15.3 Å²	15.3	9%	0.091	7%	0.073	C	C	.	.	H	α-helix	trans	-59.3	-39.2	174.8	0	0	0	0	0	112.6	F127 R359 R367	F127-A363 HydrophobicContact CD1-CB 3.45Å; F127-A363 VanDerWaalsContact CD1-CB 3.45Å; F127-A363 HydrophobicContact CE1-CB 3.82Å; F127-A363 HydrophobicContact CG-CB 4.24Å; R359-A363 WeakPolarHBondContact O-CB 3.28Å; R359-A363 PolarHBondContact O-N 3.28Å; A363-R367 WeakPolarHBondContact O-CB 3.22Å; A363-R367 PolarHBondContact O-N 2.88Å
364	L	98.5	Very high	98	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-63.3	-45.5	175.5	-178.6	67.8	0	0	0	111	Q348 I349 G360 F361 E362 E368	Q348-L364 HydrophobicContact CB-CD1 4.11Å; I349-L364 HydrophobicContact CD1-CD2 3.79Å; I349-L364 HydrophobicContact CG1-CD2 3.59Å; G360-L364 WeakPolarHBondContact O-CB 3.32Å; G360-L364 PolarHBondContact O-N 3.21Å; F361-L364 HydrophobicContact CD2-CD2 4.34Å; F361-L364 WeakPolarHBondContact O-CB 3.5Å; F361-L364 PolarHBondContact O-N 2.88Å; E362-L364 VanDerWaalsContact C-N 3.29Å; E362-L364 PolarHBondContact O-N 3.43Å; L364-E368 HydrophobicContact CD1-CB 4.28Å; L364-E368 HydrophobicContact CD1-CG 3.63Å; L364-E368 HydrophobicContact CG-CG 4.5Å; L364-E368 WeakPolarHBondContact O-CA 3.43Å; L364-E368 WeakPolarHBondContact O-CB 3.22Å; L364-E368 PolarHBondContact O-N 2.84Å
365	I	98.8	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63	-47.6	177.1	-70.5	169.4	0	0	0	110.7	F361 E362 R367 W369 L370 F397 L425 F437 W458	F361-I365 HydrophobicContact CD1-CD1 3.62Å; F361-I365 HydrophobicContact CD1-CG1 4.24Å; F361-I365 HydrophobicContact CE1-CD1 3.5Å; F361-I365 HydrophobicContact CE1-CG1 4.17Å; F361-I365 HydrophobicContact CZ-CD1 4.49Å; F361-I365 WeakPolarHBondContact O-CG1 3.48Å; F361-I365 PolarHBondContact O-N 3.24Å; E362-I365 PolarHBondContact O-N 2.82Å; E362-I365 VanDerWaalsContact O-N 3.16Å; I365-R367 PolarHBondContact O-N 3.22Å; I365-W369 HydrophobicContact CG2-CB 4.44Å; I365-W369 WeakPolarHBondContact O-CA 3.42Å; I365-W369 VanDerWaalsContact O-CB 3.28Å; I365-W369 WeakPolarHBondContact O-CB 3.44Å; I365-W369 PolarHBondContact O-N 3.36Å; I365-L370 HydrophobicContact CG2-CD1 4.26Å; I365-L370 HydrophobicContact CG2-CG 4.41Å; I365-L370 PolarHBondContact O-N 3.39Å; I365-L370 VanDerWaalsContact O-N 3.12Å; I365-F397 HydrophobicContact CD1-CZ 4.07Å; I365-F397 HydrophobicContact CG1-CE2 4.41Å; I365-F397 HydrophobicContact CG1-CZ 4.38Å; I365-F397 HydrophobicContact CG2-CZ 4.46Å; I365-L425 HydrophobicContact CD1-CD1 3.62Å; I365-L425 HydrophobicContact CD1-CD2 3.95Å; I365-L425 HydrophobicContact CD1-CG 4.42Å; I365-F437 HydrophobicContact CG2-CE1 3.94Å; I365-F437 HydrophobicContact CG2-CZ 4.2Å; I365-W458 HydrophobicContact CB-CZ2 4.47Å; I365-W458 HydrophobicContact CD1-CH2 4.25Å; I365-W458 HydrophobicContact CG2-CH2 4.37Å; I365-W458 HydrophobicContact CG2-CZ2 4.1Å
366	E	98.1	Very high	98.1	Very high	15 Å²	15	11 Å²	11	7%	0.07	5%	0.054	C	C	.	.	I	π-helix	trans	-56.8	-52.3	178.6	-81.4	-67.8	167.9	0	0	111.6	F127 E362 L370 Q371 W458	F127-E366 HydrophobicContact CB-CB 3.87Å; F127-E366 HydrophobicContact CB-CG 3.95Å; F127-E366 HydrophobicContact CD2-CG 3.81Å; F127-E366 HydrophobicContact CG-CB 4.43Å; F127-E366 HydrophobicContact CG-CG 4.18Å; E362-E366 PolarHBondContact O-N 2.87Å; E366-L370 HydrophobicContact CG-CD1 4.25Å; E366-L370 PolarHBondContact O-N 3.37Å; E366-L370 VanDerWaalsContact OE1-CD1 3.26Å; E366-L370 WeakPolarHBondContact OE1-CD1 3.33Å; E366-L370 WeakPolarHBondContact OE2-CD1 3.18Å; E366-Q371 VanDerWaalsContact O-CB 3.3Å; E366-Q371 WeakPolarHBondContact O-CB 3.48Å; E366-Q371 VanDerWaalsContact O-CG 3.25Å; E366-Q371 WeakPolarHBondContact O-CG 3.28Å; E366-Q371 PolarHBondContact O-N 2.89Å; E366-W458 PolarHBondContact OE1-NE1 2.74Å
367	R	97.1	Very high	98	Very high	28 Å²	28	13 Å²	13	11%	0.106	6%	0.063	C	C	.	.	I	π-helix	trans	-72.1	-48.5	-179.1	-176.2	-169.6	62.3	-140	-17.2	112.9	E132 Y136 R201 A363 I365 A372	E132-R367 IonicContact OE1-CZ 3.72Å; E132-R367 IonicContact OE1-NH1 3.87Å; E132-R367 PolarHBondContact OE1-NH1 3.11Å; Y136-R367 PolarHBondContact OH-NH1 2.96Å; Y136-R367 VanDerWaalsContact OH-NH1 3.08Å; R201-R367 PolarHBondContact NH2-O 2.87Å; A363-R367 WeakPolarHBondContact O-CB 3.22Å; A363-R367 PolarHBondContact O-N 2.88Å; I365-R367 PolarHBondContact O-N 3.22Å; R367-A372 PolarHBondContact O-N 3.24Å
368	E	97.8	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-82.7	-25.2	-168.8	-72.3	-63.5	129.2	0	0	113.7	S189 R201 L341 T344 S345 Q348 L364 A372	S189-E368 WeakPolarHBondContact CB-OE1 3.27Å; S189-E368 PolarHBondContact OG-OE1 3.26Å; S189-E368 PolarHBondContact OG-OE2 3.41Å; S189-E368 VanDerWaalsContact OG-OE2 3.09Å; R201-E368 IonicContact CZ-OE1 2.77Å; R201-E368 IonicContact CZ-OE2 3.72Å; R201-E368 IonicContact NE-OE1 3.43Å; R201-E368 IonicContact NE-OE2 2.78Å; R201-E368 VanDerWaalsContact NH1-CA 3.32Å; R201-E368 PolarHBondContact NH1-O 2.89Å; R201-E368 VanDerWaalsContact NH1-O 3.08Å; R201-E368 IonicContact NH1-OE1 2.86Å; R201-E368 PolarHBondContact NH1-OE1 2.72Å; R201-E368 IonicContact NH1-OE2 3.7Å; R201-E368 PolarHBondContact NH1-OE2 2.79Å; R201-E368 IonicContact NH2-OE1 3.74Å; L341-E368 WeakPolarHBondContact CD1-O 3.46Å; L341-E368 WeakPolarHBondContact CD2-O 3.39Å; T344-E368 WeakPolarHBondContact CB-OE2 3.48Å; T344-E368 PolarHBondContact OG1-OE2 3.13Å; S345-E368 VanDerWaalsContact OG-CB 3.27Å; S345-E368 WeakPolarHBondContact OG-CB 3.38Å; Q348-E368 PolarHBondContact NE2-OE1 2.98Å; L364-E368 HydrophobicContact CD1-CB 4.28Å; L364-E368 HydrophobicContact CD1-CG 3.63Å; L364-E368 HydrophobicContact CG-CG 4.5Å; L364-E368 WeakPolarHBondContact O-CA 3.43Å; L364-E368 WeakPolarHBondContact O-CB 3.22Å; L364-E368 PolarHBondContact O-N 2.84Å; E368-A372 WeakPolarHBondContact O-CB 3.37Å
369	W	98.6	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-114.5	-52.7	-175.7	-65.8	77.9	0	0	0	112.4	L341 Q342 S345 I365 G373 H374 F376 V396 F397 F400	L341-W369 HydrophobicContact CB-CZ2 4.47Å; Q342-W369 HydrophobicContact CG-CH2 3.76Å; Q342-W369 HydrophobicContact CG-CZ2 4.2Å; S345-W369 PolarHBondContact OG-NE1 3.06Å; I365-W369 HydrophobicContact CG2-CB 4.44Å; I365-W369 WeakPolarHBondContact O-CA 3.42Å; I365-W369 VanDerWaalsContact O-CB 3.28Å; I365-W369 WeakPolarHBondContact O-CB 3.44Å; I365-W369 PolarHBondContact O-N 3.36Å; W369-G373 PolarHBondContact O-N 2.88Å; W369-H374 HydrophobicContact CB-CB 4.41Å; W369-H374 HydrophobicContact CE3-CB 3.89Å; W369-H374 AromaticContact CE3-CD2 3.74Å; W369-H374 AromaticContact CE3-CG 3.56Å; W369-H374 AromaticContact CE3-ND1 3.96Å; W369-H374 AromaticContact CZ3-CD2 3.97Å; W369-H374 AromaticContact CZ3-CE1 3.91Å; W369-H374 AromaticContact CZ3-CG 3.89Å; W369-H374 AromaticContact CZ3-ND1 3.84Å; W369-H374 AromaticContact CZ3-NE2 3.99Å; W369-H374 VanDerWaalsContact O-CB 3.25Å; W369-H374 WeakPolarHBondContact O-CB 3.38Å; W369-H374 PolarHBondContact O-N 3.5Å; W369-F376 HydrophobicContact CB-CE2 3.94Å; W369-F376 HydrophobicContact CB-CZ 4.09Å; W369-F376 HydrophobicContact CE3-CZ 4.17Å; W369-V396 HydrophobicContact CH2-CG1 4.13Å; W369-V396 HydrophobicContact CZ3-CG1 4.05Å; W369-F397 AromaticContact CD2-CD2 3.66Å; W369-F397 HydrophobicContact CD2-CD2 3.66Å; W369-F397 AromaticContact CD2-CE2 3.94Å; W369-F397 HydrophobicContact CD2-CE2 3.94Å; W369-F397 AromaticContact CE2-CD2 3.94Å; W369-F397 HydrophobicContact CE3-CB 4.42Å; W369-F397 AromaticContact CE3-CD2 3.52Å; W369-F397 HydrophobicContact CE3-CD2 3.52Å; W369-F397 HydrophobicContact CE3-CE2 4.24Å; W369-F397 HydrophobicContact CE3-CG 4.39Å; W369-F397 HydrophobicContact CG-CD2 4.34Å; W369-F397 HydrophobicContact CG-CE2 4.18Å; W369-F397 AromaticContact CH2-CD2 3.98Å; W369-F397 HydrophobicContact CH2-CD2 3.98Å; W369-F397 HydrophobicContact CZ2-CD2 4.12Å; W369-F397 HydrophobicContact CZ3-CB 4Å; W369-F397 AromaticContact CZ3-CD2 3.69Å; W369-F397 HydrophobicContact CZ3-CD2 3.69Å; W369-F397 HydrophobicContact CZ3-CG 4.34Å; W369-F400 AromaticContact CE2-CD1 3.9Å; W369-F400 HydrophobicContact CH2-CB 3.61Å; W369-F400 HydrophobicContact CH2-CD1 4.37Å; W369-F400 HydrophobicContact CH2-CG 4.02Å; W369-F400 HydrophobicContact CZ2-CB 3.43Å; W369-F400 VanDerWaalsContact CZ2-CB 3.43Å; W369-F400 AromaticContact CZ2-CD1 3.62Å; W369-F400 HydrophobicContact CZ2-CD1 3.62Å; W369-F400 AromaticContact CZ2-CD2 3.79Å; W369-F400 HydrophobicContact CZ2-CD2 3.79Å; W369-F400 HydrophobicContact CZ2-CE1 4.31Å; W369-F400 HydrophobicContact CZ2-CE2 4.46Å; W369-F400 AromaticContact CZ2-CG 3.31Å; W369-F400 HydrophobicContact CZ2-CG 3.31Å; W369-F400 AromaticContact NE1-CE1 3.88Å
370	L	98.4	Very high	97.6	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.021	6%	0.057	C	C	.	.	I	π-helix	trans	-75.9	-61.8	-173.3	-62.5	172.7	0	0	0	111.4	I365 E366 A372 G373 F376 T436 F437	I365-L370 HydrophobicContact CG2-CD1 4.26Å; I365-L370 HydrophobicContact CG2-CG 4.41Å; I365-L370 PolarHBondContact O-N 3.39Å; I365-L370 VanDerWaalsContact O-N 3.12Å; E366-L370 HydrophobicContact CG-CD1 4.25Å; E366-L370 PolarHBondContact O-N 3.37Å; E366-L370 VanDerWaalsContact OE1-CD1 3.26Å; E366-L370 WeakPolarHBondContact OE1-CD1 3.33Å; E366-L370 WeakPolarHBondContact OE2-CD1 3.18Å; L370-A372 PolarHBondContact O-N 3.08Å; L370-G373 PolarHBondContact O-N 3.44Å; L370-F376 HydrophobicContact CD2-CD2 3.75Å; L370-F376 HydrophobicContact CD2-CE2 3.54Å; L370-F376 HydrophobicContact CD2-CZ 4.45Å; L370-F376 HydrophobicContact CG-CE2 4.36Å; L370-T436 HydrophobicContact CD1-CG2 3.67Å; L370-T436 VanDerWaalsContact CD2-O 3.24Å; L370-T436 WeakPolarHBondContact CD2-O 3.46Å; L370-F437 HydrophobicContact CD2-CD1 3.86Å; L370-F437 HydrophobicContact CD2-CE1 4.27Å
371	Q	96.9	Very high	97.4	Very high	18 Å²	18	12.3 Å²	12.3	8%	0.084	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-33.6	178.2	-67.2	172.3	18.8	0	0	111.6	F127 P159 E366 G373	F127-Q371 PolarHBondContact O-NE2 3.02Å; P159-Q371 HydrophobicContact CB-CB 4.11Å; P159-Q371 WeakPolarHBondContact CD-O 3.39Å; P159-Q371 HydrophobicContact CG-CB 4.23Å; E366-Q371 VanDerWaalsContact O-CB 3.3Å; E366-Q371 WeakPolarHBondContact O-CB 3.48Å; E366-Q371 VanDerWaalsContact O-CG 3.25Å; E366-Q371 WeakPolarHBondContact O-CG 3.28Å; E366-Q371 PolarHBondContact O-N 2.89Å; Q371-G373 PolarHBondContact O-N 3.43Å
372	A	97.4	Very high	97.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.7	176.5	0	0	0	0	0	114.4	S157 R184 R201 L341 R367 E368 L370	S157-A372 CarbonylContact O-C 3.59Å; S157-A372 VanDerWaalsContact O-O 3.1Å; R184-A372 VanDerWaalsContact CZ-O 3.27Å; R184-A372 PolarHBondContact NH1-O 3Å; R184-A372 PolarHBondContact NH2-O 2.92Å; R201-A372 VanDerWaalsContact CZ-CB 3.44Å; R201-A372 VanDerWaalsContact NH2-CB 3.34Å; L341-A372 HydrophobicContact CD1-CB 4.04Å; L341-A372 HydrophobicContact CD2-CB 3.94Å; R367-A372 PolarHBondContact O-N 3.24Å; E368-A372 WeakPolarHBondContact O-CB 3.37Å; L370-A372 PolarHBondContact O-N 3.08Å
373	G	98	Very high	97	Very high	2 Å²	2	13.9 Å²	13.9	2%	0.021	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	44	179.6	0	0	0	0	0	114.3	S157 T337 W369 L370 Q371 N440	S157-G373 WeakPolarHBondContact O-CA 3.4Å; T337-G373 WeakPolarHBondContact CG2-O 3.48Å; W369-G373 PolarHBondContact O-N 2.88Å; L370-G373 PolarHBondContact O-N 3.44Å; Q371-G373 PolarHBondContact O-N 3.43Å; G373-N440 CarbonylContact C-O 3.49Å
374	H	98.6	Very high	96.8	Very high	3 Å²	3	13.7 Å²	13.7	1%	0.014	7%	0.071	C	C	.	.			trans	-62.7	127.2	161	-175.5	63.3	0	0	0	109	T337 D338 L341 W369 F376 N440	T337-H374 PolarHBondContact O-ND1 3.25Å; D338-H374 IonicContact OD1-CE1 2.99Å; D338-H374 PolarHBondContact OD1-CE1 2.87Å; D338-H374 VanDerWaalsContact OD1-CE1 3.24Å; D338-H374 IonicContact OD1-ND1 3.52Å; L341-H374 HydrophobicContact CD1-CB 3.82Å; W369-H374 HydrophobicContact CB-CB 4.41Å; W369-H374 HydrophobicContact CE3-CB 3.89Å; W369-H374 AromaticContact CE3-CD2 3.74Å; W369-H374 AromaticContact CE3-CG 3.56Å; W369-H374 AromaticContact CE3-ND1 3.96Å; W369-H374 AromaticContact CZ3-CD2 3.97Å; W369-H374 AromaticContact CZ3-CE1 3.91Å; W369-H374 AromaticContact CZ3-CG 3.89Å; W369-H374 AromaticContact CZ3-ND1 3.84Å; W369-H374 AromaticContact CZ3-NE2 3.99Å; W369-H374 VanDerWaalsContact O-CB 3.25Å; W369-H374 WeakPolarHBondContact O-CB 3.38Å; W369-H374 PolarHBondContact O-N 3.5Å; H374-F376 HydrophobicContact CB-CD2 4.15Å; H374-F376 HydrophobicContact CB-CE2 3.94Å; H374-F376 AromaticContact CD2-CD1 3.9Å; H374-F376 AromaticContact CD2-CD2 3.7Å; H374-F376 AromaticContact CD2-CE1 3.87Å; H374-F376 AromaticContact CD2-CE2 3.66Å; H374-F376 AromaticContact CD2-CG 3.81Å; H374-F376 AromaticContact CD2-CZ 3.74Å; H374-F376 PolarHBondContact O-N 2.95Å; H374-N440 CarbonylContact C-O 3.52Å
375	P	97.7	Very high	96.7	Very high	11 Å²	11	14.6 Å²	14.6	7%	0.071	8%	0.075	C	C	.	.			trans	-79.3	66.5	-173.8	31.4	-35.6	0	0	0	112.8	Q377 Q378 R379 N440	P375-Q377 VanDerWaalsContact C-N 3.33Å; P375-Q377 PolarHBondContact O-N 2.95Å; P375-Q378 HydrophobicContact CB-CB 4.37Å; P375-Q378 PolarHBondContact O-N 3.48Å; P375-Q378 VanDerWaalsContact O-N 3.11Å; P375-R379 HydrophobicContact CG-CG 3.91Å; P375-R379 WeakPolarHBondContact O-CB 3.38Å; P375-R379 VanDerWaalsContact O-CG 3.3Å; P375-R379 WeakPolarHBondContact O-CG 3.2Å; P375-R379 PolarHBondContact O-N 2.87Å; P375-N440 WeakPolarHBondContact CA-O 3.33Å; P375-N440 HydrophobicContact CB-CB 3.88Å
376	F	98.2	Very high	95.8	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.013	8%	0.079	C	C	.	.	H	α-helix	trans	-53.1	-46.5	-176.6	-82.9	-79.8	0	0	0	112.8	W369 L370 H374 Q378 R379 C380 F397 A429 F437	W369-F376 HydrophobicContact CB-CE2 3.94Å; W369-F376 HydrophobicContact CB-CZ 4.09Å; W369-F376 HydrophobicContact CE3-CZ 4.17Å; L370-F376 HydrophobicContact CD2-CD2 3.75Å; L370-F376 HydrophobicContact CD2-CE2 3.54Å; L370-F376 HydrophobicContact CD2-CZ 4.45Å; L370-F376 HydrophobicContact CG-CE2 4.36Å; H374-F376 HydrophobicContact CB-CD2 4.15Å; H374-F376 HydrophobicContact CB-CE2 3.94Å; H374-F376 AromaticContact CD2-CD1 3.9Å; H374-F376 AromaticContact CD2-CD2 3.7Å; H374-F376 AromaticContact CD2-CE1 3.87Å; H374-F376 AromaticContact CD2-CE2 3.66Å; H374-F376 AromaticContact CD2-CG 3.81Å; H374-F376 AromaticContact CD2-CZ 3.74Å; H374-F376 PolarHBondContact O-N 2.95Å; F376-Q378 PolarHBondContact O-N 3.29Å; F376-R379 PolarHBondContact O-N 2.92Å; F376-C380 WeakPolarHBondContact O-CB 3.41Å; F376-C380 PolarHBondContact O-N 3.4Å; F376-F397 HydrophobicContact CE1-CB 3.9Å; F376-F397 AromaticContact CE1-CD1 3.74Å; F376-F397 HydrophobicContact CE1-CD1 3.74Å; F376-F397 HydrophobicContact CE1-CD2 4.07Å; F376-F397 HydrophobicContact CE1-CE1 4.23Å; F376-F397 AromaticContact CE1-CG 3.64Å; F376-F397 HydrophobicContact CE1-CG 3.64Å; F376-F397 HydrophobicContact CZ-CB 4.46Å; F376-F397 HydrophobicContact CZ-CD1 4.3Å; F376-F397 AromaticContact CZ-CD2 3.91Å; F376-F397 HydrophobicContact CZ-CD2 3.91Å; F376-F397 HydrophobicContact CZ-CE2 4.16Å; F376-F397 AromaticContact CZ-CG 3.98Å; F376-F397 HydrophobicContact CZ-CG 3.98Å; F376-F397 HydrophobicContact CZ-CZ 4.46Å; F376-A429 HydrophobicContact CD1-CB 4.39Å; F376-A429 HydrophobicContact CE1-CB 4.26Å; F376-F437 VanDerWaalsContact CB-O 3.22Å; F376-F437 WeakPolarHBondContact CB-O 3.47Å; F376-F437 HydrophobicContact CD1-CB 4.33Å; F376-F437 AromaticContact CD1-CD1 3.83Å; F376-F437 HydrophobicContact CD1-CD1 3.83Å; F376-F437 HydrophobicContact CD1-CG 4.44Å; F376-F437 HydrophobicContact CD2-CD1 4.15Å; F376-F437 AromaticContact CE1-CD1 3.51Å; F376-F437 HydrophobicContact CE1-CD1 3.51Å; F376-F437 AromaticContact CE1-CE1 3.9Å; F376-F437 HydrophobicContact CE1-CE1 3.9Å; F376-F437 HydrophobicContact CE1-CG 4.43Å; F376-F437 AromaticContact CE2-CD1 3.85Å; F376-F437 HydrophobicContact CE2-CD1 3.85Å; F376-F437 HydrophobicContact CE2-CE1 4.25Å; F376-F437 HydrophobicContact CG-CB 4.41Å; F376-F437 HydrophobicContact CG-CD1 4.14Å; F376-F437 AromaticContact CZ-CD1 3.52Å; F376-F437 HydrophobicContact CZ-CD1 3.52Å; F376-F437 AromaticContact CZ-CE1 3.68Å; F376-F437 HydrophobicContact CZ-CE1 3.68Å
377	Q	95.9	Very high	94.5	Very high	45 Å²	45	20.4 Å²	20.4	21%	0.21	11%	0.107	C	C	.	.	H	α-helix	trans	-57.9	-35.6	-179.3	-176.1	65.4	61.7	0	0	113.1	I105 P375 A381 G439 N440	I105-Q377 HydrophobicContact CD1-CG 3.78Å; I105-Q377 HydrophobicContact CG1-CG 4.2Å; P375-Q377 VanDerWaalsContact C-N 3.33Å; P375-Q377 PolarHBondContact O-N 2.95Å; Q377-A381 WeakPolarHBondContact O-CB 3.43Å; Q377-G439 PolarHBondContact N-O 2.87Å; Q377-N440 WeakPolarHBondContact CB-OD1 3.27Å
378	Q	95.2	Very high	93.4	Very high	75 Å²	75	23.2 Å²	23.2	35%	0.35	13%	0.127	S	C	.	.	H	α-helix	trans	-82.4	-42.7	175.9	-72.8	171.3	10.1	0	0	112.4	P375 F376 W392 N440	P375-Q378 HydrophobicContact CB-CB 4.37Å; P375-Q378 PolarHBondContact O-N 3.48Å; P375-Q378 VanDerWaalsContact O-N 3.11Å; F376-Q378 PolarHBondContact O-N 3.29Å; Q378-W392 HydrophobicContact CB-CB 4.15Å; Q378-N440 VanDerWaalsContact CG-OD1 3.29Å; Q378-N440 WeakPolarHBondContact CG-OD1 3.42Å; Q378-N440 PolarHBondContact N-OD1 2.85Å
379	R	96.7	Very high	92.1	Very high	5 Å²	5	32.1 Å²	32.1	2%	0.019	17%	0.166	C	C	.	.	H	α-helix	trans	-70.9	-36.8	-173.5	-68.3	-75.7	179.5	-79.1	-4.4	112.2	D338 P375 F376 W392 E393 A394	D338-R379 IonicContact OD1-CZ 3.79Å; D338-R379 IonicContact OD1-NE 2.65Å; D338-R379 PolarHBondContact OD1-NE 3.25Å; D338-R379 IonicContact OD1-NH2 3.79Å; D338-R379 PolarHBondContact OD1-NH2 3.16Å; D338-R379 IonicContact OD2-CZ 2.69Å; D338-R379 IonicContact OD2-NE 3.73Å; D338-R379 PolarHBondContact OD2-NE 3.45Å; D338-R379 IonicContact OD2-NH2 3.89Å; D338-R379 PolarHBondContact OD2-NH2 3.26Å; P375-R379 HydrophobicContact CG-CG 3.91Å; P375-R379 WeakPolarHBondContact O-CB 3.38Å; P375-R379 VanDerWaalsContact O-CG 3.3Å; P375-R379 WeakPolarHBondContact O-CG 3.2Å; P375-R379 PolarHBondContact O-N 2.87Å; F376-R379 PolarHBondContact O-N 2.92Å; R379-W392 WeakPolarHBondContact CD-O 3.44Å; R379-W392 PolarHBondContact NH1-O 3.37Å; R379-E393 WeakPolarHBondContact O-CA 3.47Å; R379-A394 PolarHBondContact O-N 2.8Å
380	C	95.8	Very high	90.9	Very high	10 Å²	10	35.6 Å²	35.6	7%	0.068	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	11	-177.8	-60.9	0	0	0	0	113.4	F376 Q382 A429 Y430	F376-C380 WeakPolarHBondContact O-CB 3.41Å; F376-C380 PolarHBondContact O-N 3.4Å; C380-Q382 PolarHBondContact O-N 2.84Å; C380-A429 WeakPolarHBondContact CB-O 2.99Å; C380-Y430 HydrophobicContact CB-CD1 3.8Å; C380-Y430 HydrophobicContact CB-CE1 3.98Å; C380-Y430 HydrophobicContact CB-CG 4.14Å; C380-Y430 WeakPolarHBondContact O-CD1 3.25Å
381	A	93.2	Very high	90	Very high	27 Å²	27	42.6 Å²	42.6	22%	0.223	21%	0.212	C	C	.	.	S	Bend	trans	-59.6	-34.4	179.8	0	0	0	0	0	112.5	K74 Q377 E393	K74-A381 VanDerWaalsContact CE-O 3.23Å; K74-A381 WeakPolarHBondContact CE-O 2.93Å; K74-A381 PolarHBondContact NZ-O 3.03Å; Q377-A381 WeakPolarHBondContact O-CB 3.43Å; A381-E393 HydrophobicContact CB-CG 4.17Å
382	Q	92.3	Very high	89.7	Confident	33 Å²	33	47.4 Å²	47.4	15%	0.154	23%	0.23	C	C	.	.			trans	-141.8	165.7	176.6	-56.6	-79.2	-72.2	0	0	110.1	D56 C380 C386 E393	D56-Q382 VanDerWaalsContact OD1-CA 3.31Å; D56-Q382 WeakPolarHBondContact OD1-CA 3.46Å; C380-Q382 PolarHBondContact O-N 2.84Å; Q382-C386 HydrophobicContact CB-CB 3.84Å; Q382-C386 HydrophobicContact CG-CB 4.35Å; Q382-C386 PolarHBondContact OE1-SG 2.99Å; Q382-E393 HydrophobicContact CB-CG 4Å; Q382-E393 HydrophobicContact CG-CG 4.26Å
383	S	95.1	Very high	89.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.			trans	-129.9	-150.7	-179.1	-167.8	0	0	0	0	110.9	D56 K74 F76 Q275 Y385 C386	D56-S383 PolarHBondContact OD1-N 3.17Å; D56-S383 VanDerWaalsContact OD2-CA 3.32Å; D56-S383 WeakPolarHBondContact OD2-CA 3.32Å; D56-S383 WeakPolarHBondContact OD2-CB 3.45Å; D56-S383 PolarHBondContact OD2-N 3.21Å; K74-S383 WeakPolarHBondContact O-CB 3.35Å; K74-S383 PolarHBondContact O-OG 3.12Å; F76-S383 WeakPolarHBondContact CE1-OG 3.3Å; Q275-S383 VanDerWaalsContact NE2-C 3.33Å; Q275-S383 PolarHBondContact NE2-O 2.92Å; S383-Y385 VanDerWaalsContact C-N 3.25Å; S383-Y385 PolarHBondContact O-N 2.83Å; S383-C386 WeakPolarHBondContact O-CB 3.43Å; S383-C386 PolarHBondContact O-N 3.28Å
384	A	95.6	Very high	89.4	Confident	7 Å²	7	48.6 Å²	48.6	6%	0.058	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.5	-169.2	0	0	0	0	0	115.7	D56 F76 L278 I279 V282	D56-A384 PolarHBondContact OD2-N 3.07Å; F76-A384 HydrophobicContact CD1-CB 4.05Å; F76-A384 HydrophobicContact CE1-CB 3.87Å; L278-A384 HydrophobicContact CD2-CB 4.12Å; L278-A384 HydrophobicContact CG-CB 3.89Å; I279-A384 WeakPolarHBondContact CG1-O 3.41Å; V282-A384 HydrophobicContact CB-CB 3.7Å; V282-A384 HydrophobicContact CG1-CB 3.92Å; V282-A384 HydrophobicContact CG2-CB 3.52Å
385	Y	94.6	Very high	89.4	Confident	21 Å²	21	48.5 Å²	48.5	8%	0.082	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	9.3	-176.7	-56.8	-64	0	0	0	113	D56 A57 K72 C73 F76 I78 V282 N286 S383 N387	D56-Y385 WeakPolarHBondContact OD2-CA 3.39Å; D56-Y385 PolarHBondContact OD2-N 3.04Å; A57-Y385 WeakPolarHBondContact CB-O 3.25Å; K72-Y385 HydrophobicContact CB-CD1 4.3Å; K72-Y385 HydrophobicContact CB-CD2 3.58Å; K72-Y385 HydrophobicContact CB-CE2 4.08Å; K72-Y385 HydrophobicContact CB-CG 3.67Å; K72-Y385 HydrophobicContact CD-CD1 3.86Å; K72-Y385 HydrophobicContact CD-CE1 4.44Å; K72-Y385 HydrophobicContact CD-CG 3.95Å; K72-Y385 HydrophobicContact CG-CD1 4.36Å; K72-Y385 HydrophobicContact CG-CD2 4.39Å; K72-Y385 HydrophobicContact CG-CG 4.21Å; C73-Y385 VanDerWaalsContact O-CD2 3.3Å; C73-Y385 WeakPolarHBondContact O-CD2 3.47Å; C73-Y385 WeakPolarHBondContact O-CE2 3.43Å; F76-Y385 PolarHBondContact O-OH 3.43Å; I78-Y385 HydrophobicContact CD1-CE1 4.27Å; I78-Y385 HydrophobicContact CG1-CE2 4.43Å; V282-Y385 HydrophobicContact CG1-CE1 3.66Å; V282-Y385 HydrophobicContact CG1-CE2 4.47Å; V282-Y385 WeakPolarHBondContact CG1-OH 3.39Å; N286-Y385 PolarHBondContact ND2-OH 2.71Å; S383-Y385 VanDerWaalsContact C-N 3.25Å; S383-Y385 PolarHBondContact O-N 2.83Å; Y385-N387 PolarHBondContact O-N 3.1Å; Y385-N387 PolarHBondContact O-OD1 2.85Å
386	C	81	Confident	89.4	Confident	13 Å²	13	48 Å²	48	9%	0.088	23%	0.231	C	C	.	.			trans	-58.4	123.5	176.7	-175.1	0	0	0	0	111.8	D56 Q382 S383 T388	D56-C386 PolarHBondContact OD2-N 3.15Å; Q382-C386 HydrophobicContact CB-CB 3.84Å; Q382-C386 HydrophobicContact CG-CB 4.35Å; Q382-C386 PolarHBondContact OE1-SG 2.99Å; S383-C386 WeakPolarHBondContact O-CB 3.43Å; S383-C386 PolarHBondContact O-N 3.28Å; C386-T388 PolarHBondContact SG-N 2.85Å; C386-T388 VanDerWaalsContact SG-N 3.43Å; C386-T388 PolarHBondContact SG-OG1 3.07Å
387	N	70.6	Confident	89.4	Confident	124 Å²	124	48 Å²	48	66%	0.663	23%	0.232	S	C	*	.			trans	-94.3	-0.3	176.6	-68.8	-27.7	0	0	0	113.1	Y385	Y385-N387 PolarHBondContact O-N 3.1Å; Y385-N387 PolarHBondContact O-OD1 2.85Å
388	T	73.1	Confident	89.6	Confident	87 Å²	87	46 Å²	46	53%	0.534	22%	0.222	S	C	.	.	S	Bend	trans	-99.5	157.8	-177.9	71.2	0	0	0	0	111.7	C386 Q390	C386-T388 PolarHBondContact SG-N 2.85Å; C386-T388 VanDerWaalsContact SG-N 3.43Å; C386-T388 PolarHBondContact SG-OG1 3.07Å; T388-Q390 PolarHBondContact O-N 3.3Å; T388-Q390 VanDerWaalsContact O-N 3.14Å
389	K	72.3	Confident	89.7	Confident	186 Å²	186	42.4 Å²	42.4	81%	0.809	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-64.7	117.2	178.9	-172.4	175.1	-177.2	175.8	0	109.7	K391	K389-K391 PolarHBondContact O-N 2.84Å
390	Q	72	Confident	89.9	Confident	74 Å²	74	42.2 Å²	42.2	35%	0.346	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-59.3	134.2	-178.7	-55.4	86.4	-3.6	0	0	110.5	Q275 I279 T388	Q275-Q390 HydrophobicContact CB-CG 4.45Å; Q275-Q390 HydrophobicContact CG-CG 3.75Å; I279-Q390 VanDerWaalsContact CD1-NE2 3.28Å; T388-Q390 PolarHBondContact O-N 3.3Å; T388-Q390 VanDerWaalsContact O-N 3.14Å
391	K	80.3	Confident	90	Very high	150 Å²	150	41.7 Å²	41.7	65%	0.652	20%	0.201	S	C	*	.	S	Bend	trans	-114.3	-51	175.2	-72.7	-176.8	-179.8	170.7	0	111.7	Y271 K389 E393	Y271-K391 WeakPolarHBondContact CE2-O 3.49Å; K389-K391 PolarHBondContact O-N 2.84Å; K391-E393 PolarHBondContact N-OE2 2.86Å
392	W	89.6	Confident	90.3	Very high	120 Å²	120	40.4 Å²	40.4	46%	0.455	19%	0.191	S	C	.	.	S	Bend	trans	-141.2	-8.1	-168.3	-49.3	108.8	0	0	0	113.4	Y271 Q378 R379	Y271-W392 HydrophobicContact CE2-CE3 4.33Å; Y271-W392 AromaticContact CZ-CE3 3.96Å; Y271-W392 WeakPolarHBondContact OH-CZ3 3.32Å; Q378-W392 HydrophobicContact CB-CB 4.15Å; R379-W392 WeakPolarHBondContact CD-O 3.44Å; R379-W392 PolarHBondContact NH1-O 3.37Å
393	E	93.9	Very high	90.6	Very high	26 Å²	26	38.9 Å²	38.9	12%	0.121	18%	0.183	C	C	.	.			trans	-69.6	139.4	-177.1	-57.4	78.9	-172.3	0	0	109.9	R379 A381 Q382 K391	R379-E393 WeakPolarHBondContact O-CA 3.47Å; A381-E393 HydrophobicContact CB-CG 4.17Å; Q382-E393 HydrophobicContact CB-CG 4Å; Q382-E393 HydrophobicContact CG-CG 4.26Å; K391-E393 PolarHBondContact N-OE2 2.86Å
394	A	96.1	Very high	90.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	18%	0.183	C	C	.	.			trans	-169	150.2	172.5	0	0	0	0	0	113.1	L274 Q275 R379 V396	L274-A394 HydrophobicContact CB-CB 4.45Å; Q275-A394 VanDerWaalsContact OE1-CA 3.32Å; R379-A394 PolarHBondContact O-N 2.8Å; A394-V396 HydrophobicContact CB-CG2 3.82Å; A394-V396 PolarHBondContact O-N 3.39Å
395	P	97.6	Very high	90.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.185	C	C	.	.			trans	-80.3	41.3	179.3	38.1	-41.2	0	0	0	112.7	L274 L278 W304 F397 L398 L399	L274-P395 HydrophobicContact CB-CG 4.19Å; L274-P395 WeakPolarHBondContact O-CG 3.45Å; L278-P395 HydrophobicContact CB-CG 4.05Å; L278-P395 HydrophobicContact CD2-CB 3.98Å; L278-P395 HydrophobicContact CD2-CG 4.35Å; W304-P395 HydrophobicContact CH2-CB 3.98Å; W304-P395 HydrophobicContact CH2-CG 4.06Å; W304-P395 HydrophobicContact CZ3-CB 4.18Å; W304-P395 HydrophobicContact CZ3-CG 3.78Å; P395-F397 PolarHBondContact O-N 2.85Å; P395-L398 HydrophobicContact CB-CB 4.03Å; P395-L398 HydrophobicContact CB-CD2 4.19Å; P395-L398 PolarHBondContact O-N 3.23Å; P395-L399 HydrophobicContact CG-CD1 4.18Å; P395-L399 HydrophobicContact CG-CG 4.47Å; P395-L399 WeakPolarHBondContact O-CB 3.32Å; P395-L399 WeakPolarHBondContact O-CG 3.49Å; P395-L399 PolarHBondContact O-N 3.48Å
396	V	98.6	Very high	91.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-61.5	-46.2	-174.2	179.7	0	0	0	0	111.2	L274 D338 Q342 W369 A394 F400	L274-V396 HydrophobicContact CD1-CG2 4.28Å; D338-V396 HydrophobicContact CB-CG1 3.96Å; D338-V396 HydrophobicContact CB-CG2 4.27Å; Q342-V396 HydrophobicContact CG-CG1 3.99Å; Q342-V396 PolarHBondContact NE2-O 2.77Å; W369-V396 HydrophobicContact CH2-CG1 4.13Å; W369-V396 HydrophobicContact CZ3-CG1 4.05Å; A394-V396 HydrophobicContact CB-CG2 3.82Å; A394-V396 PolarHBondContact O-N 3.39Å; V396-F400 PolarHBondContact O-N 3.04Å; V396-F400 VanDerWaalsContact O-N 3.14Å
397	F	98.8	Very high	92	Very high	4 Å²	4	38 Å²	38	2%	0.018	18%	0.176	C	C	.	.	H	α-helix	trans	-70	-37.8	176.7	-170.3	-119.6	0	0	0	112	I365 W369 F376 P395 F400 L401 L425 A429 F437	I365-F397 HydrophobicContact CD1-CZ 4.07Å; I365-F397 HydrophobicContact CG1-CE2 4.41Å; I365-F397 HydrophobicContact CG1-CZ 4.38Å; I365-F397 HydrophobicContact CG2-CZ 4.46Å; W369-F397 AromaticContact CD2-CD2 3.66Å; W369-F397 HydrophobicContact CD2-CD2 3.66Å; W369-F397 AromaticContact CD2-CE2 3.94Å; W369-F397 HydrophobicContact CD2-CE2 3.94Å; W369-F397 AromaticContact CE2-CD2 3.94Å; W369-F397 HydrophobicContact CE3-CB 4.42Å; W369-F397 AromaticContact CE3-CD2 3.52Å; W369-F397 HydrophobicContact CE3-CD2 3.52Å; W369-F397 HydrophobicContact CE3-CE2 4.24Å; W369-F397 HydrophobicContact CE3-CG 4.39Å; W369-F397 HydrophobicContact CG-CD2 4.34Å; W369-F397 HydrophobicContact CG-CE2 4.18Å; W369-F397 AromaticContact CH2-CD2 3.98Å; W369-F397 HydrophobicContact CH2-CD2 3.98Å; W369-F397 HydrophobicContact CZ2-CD2 4.12Å; W369-F397 HydrophobicContact CZ3-CB 4Å; W369-F397 AromaticContact CZ3-CD2 3.69Å; W369-F397 HydrophobicContact CZ3-CD2 3.69Å; W369-F397 HydrophobicContact CZ3-CG 4.34Å; F376-F397 HydrophobicContact CE1-CB 3.9Å; F376-F397 AromaticContact CE1-CD1 3.74Å; F376-F397 HydrophobicContact CE1-CD1 3.74Å; F376-F397 HydrophobicContact CE1-CD2 4.07Å; F376-F397 HydrophobicContact CE1-CE1 4.23Å; F376-F397 AromaticContact CE1-CG 3.64Å; F376-F397 HydrophobicContact CE1-CG 3.64Å; F376-F397 HydrophobicContact CZ-CB 4.46Å; F376-F397 HydrophobicContact CZ-CD1 4.3Å; F376-F397 AromaticContact CZ-CD2 3.91Å; F376-F397 HydrophobicContact CZ-CD2 3.91Å; F376-F397 HydrophobicContact CZ-CE2 4.16Å; F376-F397 AromaticContact CZ-CG 3.98Å; F376-F397 HydrophobicContact CZ-CG 3.98Å; F376-F397 HydrophobicContact CZ-CZ 4.46Å; P395-F397 PolarHBondContact O-N 2.85Å; F397-F400 AromaticContact CD2-CD1 3.83Å; F397-F400 HydrophobicContact CD2-CD1 3.83Å; F397-F400 AromaticContact CE2-CD1 3.71Å; F397-F400 HydrophobicContact CE2-CD1 3.71Å; F397-F400 AromaticContact CE2-CE1 3.95Å; F397-F400 HydrophobicContact CE2-CE1 3.95Å; F397-F400 WeakPolarHBondContact O-CB 3.47Å; F397-F400 PolarHBondContact O-N 2.92Å; F397-F400 VanDerWaalsContact O-N 3.17Å; F397-L401 HydrophobicContact CD1-CD1 3.91Å; F397-L401 HydrophobicContact CD1-CG 4.37Å; F397-L401 HydrophobicContact CE1-CD1 3.73Å; F397-L401 HydrophobicContact CE1-CD2 4.36Å; F397-L401 HydrophobicContact CE1-CG 4.19Å; F397-L401 HydrophobicContact CZ-CD1 4.33Å; F397-L401 HydrophobicContact CZ-CD2 4.13Å; F397-L401 HydrophobicContact CZ-CG 4.35Å; F397-L401 WeakPolarHBondContact O-CG 3.44Å; F397-L401 PolarHBondContact O-N 2.83Å; F397-L425 HydrophobicContact CE1-CB 4.33Å; F397-A429 HydrophobicContact CD1-CB 3.81Å; F397-A429 HydrophobicContact CE1-CB 4.09Å; F397-F437 HydrophobicContact CE1-CE1 4.12Å; F397-F437 HydrophobicContact CE1-CZ 4.17Å; F397-F437 HydrophobicContact CZ-CE1 4.08Å; F397-F437 HydrophobicContact CZ-CZ 4.2Å
398	L	98.8	Very high	93.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-43.1	174.7	172.9	60.3	0	0	0	112.1	F76 L278 W304 P395 F400 L401 D402 F426 W494 I497 F498	F76-L398 HydrophobicContact CE2-CD2 4.31Å; F76-L398 HydrophobicContact CZ-CD2 3.88Å; L278-L398 HydrophobicContact CD1-CD2 4.2Å; W304-L398 HydrophobicContact CH2-CD2 3.96Å; W304-L398 HydrophobicContact CH2-CG 4.03Å; W304-L398 HydrophobicContact CZ2-CD2 4.37Å; W304-L398 HydrophobicContact CZ2-CG 4.18Å; P395-L398 HydrophobicContact CB-CB 4.03Å; P395-L398 HydrophobicContact CB-CD2 4.19Å; P395-L398 PolarHBondContact O-N 3.23Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 PolarHBondContact O-N 3.21Å; L398-L401 PolarHBondContact O-N 3.33Å; L398-D402 PolarHBondContact O-N 3.43Å; L398-F426 HydrophobicContact CB-CD2 4.23Å; L398-F426 HydrophobicContact CD1-CB 4.47Å; L398-F426 HydrophobicContact CD1-CD2 3.7Å; L398-F426 HydrophobicContact CD1-CE2 4.14Å; L398-F426 HydrophobicContact CD1-CG 4.13Å; L398-F426 HydrophobicContact CD2-CD2 4.22Å; L398-F426 HydrophobicContact CD2-CE2 3.87Å; L398-F426 HydrophobicContact CG-CD2 4.26Å; L398-F426 HydrophobicContact CG-CE2 4.41Å; L398-W494 HydrophobicContact CD1-CZ3 4.34Å; L398-I497 HydrophobicContact CD1-CG2 4.41Å; L398-F498 HydrophobicContact CD2-CE1 4.34Å; L398-F498 HydrophobicContact CD2-CZ 4.19Å
399	L	98.8	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-37.1	173.8	-78.5	163.4	0	0	0	111.8	L274 W304 H307 I308 I311 P395 C403	L274-L399 HydrophobicContact CB-CD1 4.18Å; L274-L399 HydrophobicContact CD1-CD1 3.8Å; L274-L399 HydrophobicContact CD2-CD1 3.79Å; L274-L399 HydrophobicContact CG-CD1 4.13Å; W304-L399 HydrophobicContact CD2-CD2 4Å; W304-L399 HydrophobicContact CE3-CD2 4.01Å; W304-L399 HydrophobicContact CH2-CD2 3.53Å; W304-L399 HydrophobicContact CH2-CG 3.6Å; W304-L399 HydrophobicContact CZ2-CD2 3.49Å; W304-L399 VanDerWaalsContact CZ2-CD2 3.49Å; W304-L399 HydrophobicContact CZ2-CG 3.94Å; W304-L399 HydrophobicContact CZ3-CD2 3.78Å; W304-L399 HydrophobicContact CZ3-CG 4.01Å; H307-L399 HydrophobicContact CB-CD2 4.22Å; I308-L399 HydrophobicContact CD1-CD2 3.62Å; I308-L399 HydrophobicContact CG1-CD2 4.27Å; I311-L399 HydrophobicContact CD1-CB 4.08Å; I311-L399 HydrophobicContact CD1-CD1 4.4Å; P395-L399 HydrophobicContact CG-CD1 4.18Å; P395-L399 HydrophobicContact CG-CG 4.47Å; P395-L399 WeakPolarHBondContact O-CB 3.32Å; P395-L399 WeakPolarHBondContact O-CG 3.49Å; P395-L399 PolarHBondContact O-N 3.48Å; L399-C403 PolarHBondContact O-N 3.37Å; L399-C403 PolarHBondContact O-SG 3.47Å
400	F	98.9	Very high	95.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-50.1	172	160.9	-107.2	0	0	0	111.2	Q342 S345 L346 I349 F361 W369 V396 F397 L398 D402 C403 V404	Q342-F400 HydrophobicContact CG-CB 4.31Å; S345-F400 VanDerWaalsContact CB-CE2 3.46Å; L346-F400 HydrophobicContact CD1-CD2 4.49Å; L346-F400 HydrophobicContact CD2-CD2 4.04Å; L346-F400 HydrophobicContact CD2-CE2 4.05Å; L346-F400 HydrophobicContact CG-CD2 3.91Å; L346-F400 HydrophobicContact CG-CE2 4.09Å; I349-F400 HydrophobicContact CD1-CE2 3.85Å; I349-F400 HydrophobicContact CD1-CZ 3.97Å; F361-F400 HydrophobicContact CE2-CE1 4.48Å; F361-F400 AromaticContact CE2-CZ 3.98Å; F361-F400 HydrophobicContact CE2-CZ 3.98Å; F361-F400 AromaticContact CZ-CE1 3.82Å; F361-F400 HydrophobicContact CZ-CE1 3.82Å; F361-F400 AromaticContact CZ-CZ 3.78Å; F361-F400 HydrophobicContact CZ-CZ 3.78Å; W369-F400 AromaticContact CE2-CD1 3.9Å; W369-F400 HydrophobicContact CH2-CB 3.61Å; W369-F400 HydrophobicContact CH2-CD1 4.37Å; W369-F400 HydrophobicContact CH2-CG 4.02Å; W369-F400 HydrophobicContact CZ2-CB 3.43Å; W369-F400 VanDerWaalsContact CZ2-CB 3.43Å; W369-F400 AromaticContact CZ2-CD1 3.62Å; W369-F400 HydrophobicContact CZ2-CD1 3.62Å; W369-F400 AromaticContact CZ2-CD2 3.79Å; W369-F400 HydrophobicContact CZ2-CD2 3.79Å; W369-F400 HydrophobicContact CZ2-CE1 4.31Å; W369-F400 HydrophobicContact CZ2-CE2 4.46Å; W369-F400 AromaticContact CZ2-CG 3.31Å; W369-F400 HydrophobicContact CZ2-CG 3.31Å; W369-F400 AromaticContact NE1-CE1 3.88Å; V396-F400 PolarHBondContact O-N 3.04Å; V396-F400 VanDerWaalsContact O-N 3.14Å; F397-F400 AromaticContact CD2-CD1 3.83Å; F397-F400 HydrophobicContact CD2-CD1 3.83Å; F397-F400 AromaticContact CE2-CD1 3.71Å; F397-F400 HydrophobicContact CE2-CD1 3.71Å; F397-F400 AromaticContact CE2-CE1 3.95Å; F397-F400 HydrophobicContact CE2-CE1 3.95Å; F397-F400 WeakPolarHBondContact O-CB 3.47Å; F397-F400 PolarHBondContact O-N 2.92Å; F397-F400 VanDerWaalsContact O-N 3.17Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 PolarHBondContact O-N 3.21Å; F400-D402 VanDerWaalsContact C-N 3.31Å; F400-D402 PolarHBondContact O-N 2.93Å; F400-C403 WeakPolarHBondContact O-CB 3.18Å; F400-C403 PolarHBondContact O-N 3.45Å; F400-C403 VanDerWaalsContact O-N 3.16Å; F400-V404 HydrophobicContact CD2-CG2 4.11Å; F400-V404 HydrophobicContact CE1-CG2 4.27Å; F400-V404 HydrophobicContact CE2-CG2 3.63Å; F400-V404 HydrophobicContact CZ-CG2 3.73Å; F400-V404 WeakPolarHBondContact O-CG2 3.27Å; F400-V404 PolarHBondContact O-N 3.03Å
401	L	98.9	Very high	97	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-39.1	179	-65	174.3	0	0	0	112.1	F361 F397 L398 V404 W405 L422 L425 F426 W494	F361-L401 HydrophobicContact CE1-CD2 4.37Å; F361-L401 HydrophobicContact CZ-CD2 4.34Å; F397-L401 HydrophobicContact CD1-CD1 3.91Å; F397-L401 HydrophobicContact CD1-CG 4.37Å; F397-L401 HydrophobicContact CE1-CD1 3.73Å; F397-L401 HydrophobicContact CE1-CD2 4.36Å; F397-L401 HydrophobicContact CE1-CG 4.19Å; F397-L401 HydrophobicContact CZ-CD1 4.33Å; F397-L401 HydrophobicContact CZ-CD2 4.13Å; F397-L401 HydrophobicContact CZ-CG 4.35Å; F397-L401 WeakPolarHBondContact O-CG 3.44Å; F397-L401 PolarHBondContact O-N 2.83Å; L398-L401 PolarHBondContact O-N 3.33Å; L401-V404 WeakPolarHBondContact O-CB 3.28Å; L401-V404 PolarHBondContact O-N 3.45Å; L401-V404 VanDerWaalsContact O-N 3.17Å; L401-W405 PolarHBondContact O-N 2.97Å; L401-L422 HydrophobicContact CD2-CD2 4.06Å; L401-L425 HydrophobicContact CD1-CB 4.02Å; L401-L425 HydrophobicContact CD2-CB 4.24Å; L401-L425 HydrophobicContact CD2-CD1 4.06Å; L401-F426 HydrophobicContact CD1-CB 3.89Å; L401-W494 HydrophobicContact CB-CH2 4.23Å; L401-W494 HydrophobicContact CB-CZ3 4.02Å
402	D	98.9	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.2	-48.2	173.6	-171.4	-33.9	0	0	0	110.2	W304 I308 L398 F400 V404 W405 Q406 W494	W304-D402 PolarHBondContact NE1-OD2 3.47Å; I308-D402 HydrophobicContact CD1-CB 3.58Å; I308-D402 VanDerWaalsContact CD1-CG 3.49Å; L398-D402 PolarHBondContact O-N 3.43Å; F400-D402 VanDerWaalsContact C-N 3.31Å; F400-D402 PolarHBondContact O-N 2.93Å; D402-V404 PolarHBondContact O-N 2.61Å; D402-W405 CarbonylContact O-C 3.58Å; D402-W405 WeakPolarHBondContact O-CA 3.49Å; D402-W405 WeakPolarHBondContact O-CB 3.38Å; D402-W405 PolarHBondContact O-N 3.42Å; D402-Q406 WeakPolarHBondContact O-CG 3.42Å; D402-Q406 PolarHBondContact O-N 2.96Å; D402-Q406 PolarHBondContact OD1-NE2 3.04Å; D402-W494 HydrophobicContact CB-CE3 3.72Å; D402-W494 HydrophobicContact CB-CZ3 4.13Å
403	C	98.9	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-55.5	-38.5	172.7	-70.6	0	0	0	0	112.8	L312 L346 L399 F400 Q406 I407	L312-C403 HydrophobicContact CD2-CB 3.81Å; L312-C403 HydrophobicContact CG-CB 4.07Å; L346-C403 HydrophobicContact CD1-CB 3.6Å; L346-C403 HydrophobicContact CD2-CB 3.65Å; L346-C403 HydrophobicContact CG-CB 4.28Å; L399-C403 PolarHBondContact O-N 3.37Å; L399-C403 PolarHBondContact O-SG 3.47Å; F400-C403 WeakPolarHBondContact O-CB 3.18Å; F400-C403 PolarHBondContact O-N 3.45Å; F400-C403 VanDerWaalsContact O-N 3.16Å; C403-Q406 PolarHBondContact O-N 3.2Å; C403-I407 WeakPolarHBondContact O-CG1 3.28Å; C403-I407 PolarHBondContact O-N 3.09Å
404	V	98.9	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-43.1	174.3	179.1	0	0	0	0	111	L346 I349 F361 F400 L401 D402 Q406 I407 L408 F415 F417 L422	L346-V404 HydrophobicContact CD2-CG2 3.84Å; I349-V404 HydrophobicContact CD1-CG2 3.55Å; F361-V404 HydrophobicContact CE2-CG1 3.84Å; F361-V404 HydrophobicContact CE2-CG2 3.95Å; F361-V404 HydrophobicContact CZ-CB 4.44Å; F361-V404 HydrophobicContact CZ-CG1 4.02Å; F361-V404 HydrophobicContact CZ-CG2 4Å; F400-V404 HydrophobicContact CD2-CG2 4.11Å; F400-V404 HydrophobicContact CE1-CG2 4.27Å; F400-V404 HydrophobicContact CE2-CG2 3.63Å; F400-V404 HydrophobicContact CZ-CG2 3.73Å; F400-V404 WeakPolarHBondContact O-CG2 3.27Å; F400-V404 PolarHBondContact O-N 3.03Å; L401-V404 WeakPolarHBondContact O-CB 3.28Å; L401-V404 PolarHBondContact O-N 3.45Å; L401-V404 VanDerWaalsContact O-N 3.17Å; D402-V404 PolarHBondContact O-N 2.61Å; V404-Q406 VanDerWaalsContact C-N 3.32Å; V404-Q406 PolarHBondContact O-N 3.08Å; V404-I407 PolarHBondContact O-N 3.41Å; V404-I407 VanDerWaalsContact O-N 3.12Å; V404-L408 WeakPolarHBondContact O-CB 3.48Å; V404-L408 PolarHBondContact O-N 2.96Å; V404-F415 HydrophobicContact CG1-CE1 4.35Å; V404-F417 HydrophobicContact CG1-CE2 4.02Å; V404-F417 HydrophobicContact CG1-CZ 4.07Å; V404-L422 HydrophobicContact CB-CD1 4.38Å; V404-L422 HydrophobicContact CB-CD2 4.48Å; V404-L422 HydrophobicContact CG1-CD1 4.09Å; V404-L422 HydrophobicContact CG1-CD2 4Å
405	W	98.8	Very high	98.4	Very high	22 Å²	22	18.5 Å²	18.5	8%	0.083	9%	0.091	C	C	.	.	H	α-helix	trans	-59.6	-40.9	174.7	177.6	85.4	0	0	0	112.1	L401 D402 I407 L408 R409 E419 L422 P492 W494	L401-W405 PolarHBondContact O-N 2.97Å; D402-W405 CarbonylContact O-C 3.58Å; D402-W405 WeakPolarHBondContact O-CA 3.49Å; D402-W405 WeakPolarHBondContact O-CB 3.38Å; D402-W405 PolarHBondContact O-N 3.42Å; W405-I407 VanDerWaalsContact C-N 3.29Å; W405-I407 PolarHBondContact O-N 3.03Å; W405-L408 PolarHBondContact O-N 3.46Å; W405-R409 WeakPolarHBondContact O-CB 3.43Å; W405-R409 PolarHBondContact O-N 3.18Å; W405-E419 VanDerWaalsContact NE1-CD 3.27Å; W405-E419 PolarHBondContact NE1-OE2 3.27Å; W405-L422 HydrophobicContact CB-CD1 3.9Å; W405-P492 HydrophobicContact CH2-CG 3.85Å; W405-P492 HydrophobicContact CZ3-CG 3.98Å; W405-W494 HydrophobicContact CB-CD2 3.99Å; W405-W494 HydrophobicContact CB-CE3 4.16Å; W405-W494 HydrophobicContact CB-CH2 4.31Å; W405-W494 HydrophobicContact CB-CZ2 4.13Å; W405-W494 HydrophobicContact CB-CZ3 4.31Å; W405-W494 AromaticContact CD1-CD1 3.77Å; W405-W494 AromaticContact CD1-CE2 3.56Å; W405-W494 AromaticContact CD1-NE1 3.33Å; W405-W494 VanDerWaalsContact CD1-NE1 3.33Å; W405-W494 HydrophobicContact CD2-CB 4.07Å; W405-W494 AromaticContact CD2-CD1 3.53Å; W405-W494 AromaticContact CD2-CD2 3.98Å; W405-W494 HydrophobicContact CD2-CD2 3.98Å; W405-W494 AromaticContact CD2-CG 3.6Å; W405-W494 HydrophobicContact CD2-CG 3.6Å; W405-W494 AromaticContact CD2-NE1 3.89Å; W405-W494 AromaticContact CE2-CD1 3.3Å; W405-W494 AromaticContact CE2-CG 3.86Å; W405-W494 AromaticContact CE2-NE1 3.7Å; W405-W494 HydrophobicContact CE3-CB 3.74Å; W405-W494 HydrophobicContact CE3-CD2 4.39Å; W405-W494 AromaticContact CE3-CG 3.82Å; W405-W494 HydrophobicContact CE3-CG 3.82Å; W405-W494 AromaticContact CG-CD1 3.84Å; W405-W494 AromaticContact CG-CD2 3.78Å; W405-W494 HydrophobicContact CG-CD2 3.78Å; W405-W494 AromaticContact CG-CE2 3.62Å; W405-W494 HydrophobicContact CG-CE3 4.43Å; W405-W494 AromaticContact CG-CG 3.93Å; W405-W494 HydrophobicContact CG-CG 3.93Å; W405-W494 HydrophobicContact CG-CZ2 4.15Å; W405-W494 AromaticContact CG-NE1 3.69Å; W405-W494 HydrophobicContact CH2-CB 4.23Å; W405-W494 HydrophobicContact CH2-CG 4.49Å; W405-W494 AromaticContact CZ2-CD1 3.72Å; W405-W494 HydrophobicContact CZ2-CG 4.31Å; W405-W494 HydrophobicContact CZ3-CB 3.84Å; W405-W494 HydrophobicContact CZ3-CG 4.26Å; W405-W494 AromaticContact NE1-CD1 3.44Å; W405-W494 AromaticContact NE1-NE1 3.32Å
406	Q	98.8	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.6	-40.6	174.4	-60.9	-62.8	-22.7	0	0	111.9	I308 L312 D402 C403 V404 Q410 L491 P492	I308-Q406 HydrophobicContact CG2-CG 3.77Å; L312-Q406 HydrophobicContact CD1-CB 4Å; L312-Q406 HydrophobicContact CD1-CG 4.24Å; D402-Q406 WeakPolarHBondContact O-CG 3.42Å; D402-Q406 PolarHBondContact O-N 2.96Å; D402-Q406 PolarHBondContact OD1-NE2 3.04Å; C403-Q406 PolarHBondContact O-N 3.2Å; V404-Q406 VanDerWaalsContact C-N 3.32Å; V404-Q406 PolarHBondContact O-N 3.08Å; Q406-Q410 WeakPolarHBondContact O-CG 3.37Å; Q406-Q410 PolarHBondContact O-N 3.48Å; Q406-L491 HydrophobicContact CB-CD2 4.21Å; Q406-L491 HydrophobicContact CG-CD2 4.09Å; Q406-P492 PolarHBondContact NE2-O 3.02Å
407	I	98.8	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.8	-45.7	177.8	-58.5	169.4	0	0	0	110.2	L312 L346 I349 I350 C403 V404 W405 R409 Q410 F411 F415 I482 P484	L312-I407 HydrophobicContact CD2-CD1 3.95Å; L312-I407 HydrophobicContact CD2-CG1 4.02Å; L346-I407 HydrophobicContact CD2-CD1 3.99Å; I349-I407 HydrophobicContact CG2-CD1 4.37Å; I350-I407 HydrophobicContact CG1-CD1 4.3Å; C403-I407 WeakPolarHBondContact O-CG1 3.28Å; C403-I407 PolarHBondContact O-N 3.09Å; V404-I407 PolarHBondContact O-N 3.41Å; V404-I407 VanDerWaalsContact O-N 3.12Å; W405-I407 VanDerWaalsContact C-N 3.29Å; W405-I407 PolarHBondContact O-N 3.03Å; I407-R409 VanDerWaalsContact C-N 3.31Å; I407-R409 PolarHBondContact O-N 3.06Å; I407-Q410 PolarHBondContact O-N 2.92Å; I407-Q410 VanDerWaalsContact O-N 3.09Å; I407-F411 HydrophobicContact CG2-CD2 3.94Å; I407-F411 HydrophobicContact CG2-CE2 4.48Å; I407-F411 WeakPolarHBondContact O-CD2 3.2Å; I407-F411 PolarHBondContact O-N 2.96Å; I407-F415 HydrophobicContact CB-CZ 4.21Å; I407-F415 HydrophobicContact CG2-CE2 3.88Å; I407-F415 HydrophobicContact CG2-CZ 3.69Å; I407-I482 HydrophobicContact CG2-CD1 3.58Å; I407-I482 HydrophobicContact CG2-CG1 4.43Å; I407-P484 HydrophobicContact CD1-CG 4.37Å; I407-P484 HydrophobicContact CG1-CB 4Å; I407-P484 HydrophobicContact CG1-CG 3.97Å
408	L	98.3	Very high	98.3	Very high	21 Å²	21	21.4 Å²	21.4	11%	0.11	11%	0.105	C	C	.	.	H	α-helix	trans	-54.9	-47.5	177.4	-175.8	159.9	0	0	0	110.7	V404 W405 Q410 F411 P412 F415 F417 L422	V404-L408 WeakPolarHBondContact O-CB 3.48Å; V404-L408 PolarHBondContact O-N 2.96Å; W405-L408 PolarHBondContact O-N 3.46Å; L408-Q410 VanDerWaalsContact C-N 3.3Å; L408-Q410 PolarHBondContact O-N 3.29Å; L408-F411 CarbonylContact O-C 3.57Å; L408-F411 PolarHBondContact O-N 2.81Å; L408-F411 VanDerWaalsContact O-N 3.11Å; L408-P412 VanDerWaalsContact O-CA 3.28Å; L408-P412 WeakPolarHBondContact O-CA 3.39Å; L408-P412 VanDerWaalsContact O-N 3.1Å; L408-F415 HydrophobicContact CB-CD2 4.04Å; L408-F415 HydrophobicContact CB-CE2 4.21Å; L408-F415 HydrophobicContact CB-CG 4.35Å; L408-F415 HydrophobicContact CD1-CB 4.22Å; L408-F415 HydrophobicContact CD1-CG 4.37Å; L408-F415 HydrophobicContact CG-CB 4.26Å; L408-F415 HydrophobicContact CG-CD2 4.13Å; L408-F415 HydrophobicContact CG-CG 4.2Å; L408-F417 HydrophobicContact CD1-CD2 3.97Å; L408-F417 HydrophobicContact CD1-CE2 3.98Å; L408-L422 HydrophobicContact CD1-CD1 4.36Å
409	R	97.8	Very high	98.2	Very high	122 Å²	122	24.1 Å²	24.1	46%	0.46	12%	0.118	S	C	.	.	H	α-helix	trans	-60.8	-36.8	177.6	179.7	-179.8	158.9	-88.7	-3.2	113	W405 I407 S490 P492	W405-R409 WeakPolarHBondContact O-CB 3.43Å; W405-R409 PolarHBondContact O-N 3.18Å; I407-R409 VanDerWaalsContact C-N 3.31Å; I407-R409 PolarHBondContact O-N 3.06Å; R409-S490 PolarHBondContact NH1-O 2.86Å; R409-S490 VanDerWaalsContact NH1-O 3.11Å; R409-P492 VanDerWaalsContact NH1-CD 3.33Å
410	Q	98.3	Very high	98.1	Very high	50 Å²	50	28.1 Å²	28.1	23%	0.234	14%	0.139	C	C	.	.	H	α-helix	trans	-77.7	-22.2	178	-69	-176.4	50.3	0	0	112.8	Q406 I407 L408 S485	Q406-Q410 WeakPolarHBondContact O-CG 3.37Å; Q406-Q410 PolarHBondContact O-N 3.48Å; I407-Q410 PolarHBondContact O-N 2.92Å; I407-Q410 VanDerWaalsContact O-N 3.09Å; L408-Q410 VanDerWaalsContact C-N 3.3Å; L408-Q410 PolarHBondContact O-N 3.29Å; Q410-S485 PolarHBondContact NE2-O 2.77Å
411	F	98.1	Very high	98.1	Very high	50 Å²	50	28.1 Å²	28.1	22%	0.219	14%	0.139	C	C	.	.	S	Bend	trans	-131.7	64.3	180	-60	-81.8	0	0	0	111.5	I407 L408 C413 S414 F415 I482 P484	I407-F411 HydrophobicContact CG2-CD2 3.94Å; I407-F411 HydrophobicContact CG2-CE2 4.48Å; I407-F411 WeakPolarHBondContact O-CD2 3.2Å; I407-F411 PolarHBondContact O-N 2.96Å; L408-F411 CarbonylContact O-C 3.57Å; L408-F411 PolarHBondContact O-N 2.81Å; L408-F411 VanDerWaalsContact O-N 3.11Å; F411-C413 PolarHBondContact O-N 2.92Å; F411-C413 VanDerWaalsContact O-N 3.09Å; F411-S414 WeakPolarHBondContact O-CB 3.42Å; F411-S414 PolarHBondContact O-N 2.82Å; F411-F415 HydrophobicContact CB-CE2 4.45Å; F411-I482 HydrophobicContact CB-CD1 4.4Å; F411-I482 HydrophobicContact CD1-CB 4.06Å; F411-I482 HydrophobicContact CD1-CG2 3.83Å; F411-I482 HydrophobicContact CD2-CB 3.96Å; F411-I482 HydrophobicContact CD2-CD1 4.02Å; F411-I482 HydrophobicContact CD2-CG1 4.47Å; F411-I482 HydrophobicContact CE1-CB 3.96Å; F411-I482 HydrophobicContact CE1-CG2 4.01Å; F411-I482 HydrophobicContact CE2-CB 3.87Å; F411-I482 HydrophobicContact CG-CB 4.06Å; F411-I482 HydrophobicContact CG-CD1 4.23Å; F411-I482 HydrophobicContact CG-CG2 4.1Å; F411-I482 HydrophobicContact CZ-CB 3.87Å; F411-I482 HydrophobicContact CZ-CG2 4.44Å; F411-P484 HydrophobicContact CE2-CB 4.27Å
412	P	96.1	Very high	98.1	Very high	62 Å²	62	28.1 Å²	28.1	40%	0.403	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.8	-166.6	23.4	-35	0	0	0	114.3	L408 N472	L408-P412 VanDerWaalsContact O-CA 3.28Å; L408-P412 WeakPolarHBondContact O-CA 3.39Å; L408-P412 VanDerWaalsContact O-N 3.1Å; P412-N472 PolarHBondContact O-ND2 2.9Å
413	C	96.8	Very high	98.1	Very high	45 Å²	45	29 Å²	29	30%	0.304	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-8.3	178.1	-49.2	0	0	0	0	113.4	F411 L474 F475 E476	F411-C413 PolarHBondContact O-N 2.92Å; F411-C413 VanDerWaalsContact O-N 3.09Å; C413-L474 VanDerWaalsContact CA-O 3.31Å; C413-L474 WeakPolarHBondContact CA-O 3.48Å; C413-L474 VanDerWaalsContact CB-O 3.24Å; C413-L474 WeakPolarHBondContact CB-O 3.47Å; C413-F475 WeakPolarHBondContact O-CA 3.42Å; C413-F475 WeakPolarHBondContact O-CD2 3.49Å; C413-E476 HydrophobicContact CB-CB 4.39Å; C413-E476 PolarHBondContact O-N 3.45Å; C413-E476 VanDerWaalsContact O-O 3.06Å
414	S	98.2	Very high	98.1	Very high	10 Å²	10	29.4 Å²	29.4	7%	0.07	15%	0.146	C	C	.	.	S	Bend	trans	-89.6	-2.9	-170.2	-67	0	0	0	0	114.9	R356 F411 N478	R356-S414 VanDerWaalsContact CB-O 3.32Å; R356-S414 WeakPolarHBondContact CB-O 3.28Å; F411-S414 WeakPolarHBondContact O-CB 3.42Å; F411-S414 PolarHBondContact O-N 2.82Å; S414-N478 PolarHBondContact OG-ND2 2.98Å
415	F	98.5	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.			trans	-119.6	131.4	-177.5	-70	-94.7	0	0	0	110.3	I349 R356 V404 I407 L408 F411 F417 N472 F475 I482	I349-F415 HydrophobicContact CG2-CE1 3.74Å; I349-F415 HydrophobicContact CG2-CZ 3.75Å; R356-F415 HydrophobicContact CB-CD1 3.8Å; R356-F415 HydrophobicContact CB-CE1 4.05Å; R356-F415 HydrophobicContact CB-CG 4.33Å; R356-F415 HydrophobicContact CG-CD1 3.95Å; R356-F415 HydrophobicContact CG-CE1 3.66Å; R356-F415 HydrophobicContact CG-CZ 4.04Å; R356-F415 WeakPolarHBondContact O-CA 3.36Å; V404-F415 HydrophobicContact CG1-CE1 4.35Å; I407-F415 HydrophobicContact CB-CZ 4.21Å; I407-F415 HydrophobicContact CG2-CE2 3.88Å; I407-F415 HydrophobicContact CG2-CZ 3.69Å; L408-F415 HydrophobicContact CB-CD2 4.04Å; L408-F415 HydrophobicContact CB-CE2 4.21Å; L408-F415 HydrophobicContact CB-CG 4.35Å; L408-F415 HydrophobicContact CD1-CB 4.22Å; L408-F415 HydrophobicContact CD1-CG 4.37Å; L408-F415 HydrophobicContact CG-CB 4.26Å; L408-F415 HydrophobicContact CG-CD2 4.13Å; L408-F415 HydrophobicContact CG-CG 4.2Å; F411-F415 HydrophobicContact CB-CE2 4.45Å; F415-F417 VanDerWaalsContact C-N 3.3Å; F415-F417 HydrophobicContact CB-CE2 4.47Å; F415-F417 AromaticContact CD1-CE1 3.81Å; F415-F417 HydrophobicContact CD1-CE1 3.81Å; F415-F417 AromaticContact CD1-CE2 3.69Å; F415-F417 HydrophobicContact CD1-CE2 3.69Å; F415-F417 AromaticContact CD1-CZ 3.31Å; F415-F417 HydrophobicContact CD1-CZ 3.31Å; F415-F417 HydrophobicContact CE1-CE2 4.33Å; F415-F417 AromaticContact CE1-CZ 3.81Å; F415-F417 HydrophobicContact CE1-CZ 3.81Å; F415-F417 HydrophobicContact CG-CE2 4.41Å; F415-F417 HydrophobicContact CG-CZ 4.35Å; F415-N472 WeakPolarHBondContact O-CB 3.34Å; F415-N472 PolarHBondContact O-ND2 3.37Å; F415-F475 WeakPolarHBondContact O-CD2 3.48Å; F415-I482 HydrophobicContact CE2-CD1 3.89Å; F415-I482 HydrophobicContact CZ-CD1 4Å
416	E	98.4	Very high	98.1	Very high	57 Å²	57	28.5 Å²	28.5	27%	0.266	14%	0.142	S	C	.	.	S	Bend	trans	-72.5	-28.7	175.9	-171.8	-178.9	-145.3	0	0	111.3	R356 T357 I358 T471 N472 F475	R356-E416 PolarHBondContact O-N 3.31Å; T357-E416 VanDerWaalsContact CA-OE2 3.29Å; T357-E416 WeakPolarHBondContact CA-OE2 3.4Å; T357-E416 WeakPolarHBondContact CB-OE2 3.45Å; I358-E416 HydrophobicContact CD1-CG 4.14Å; I358-E416 HydrophobicContact CG1-CB 4.41Å; I358-E416 HydrophobicContact CG1-CG 4.18Å; I358-E416 PolarHBondContact N-OE2 3.09Å; E416-T471 CarbonylContact O-C 3.59Å; E416-T471 WeakPolarHBondContact O-CA 3.35Å; E416-N472 WeakPolarHBondContact O-CB 3.32Å; E416-N472 PolarHBondContact O-N 2.83Å; E416-F475 VanDerWaalsContact CA-CG 3.49Å; E416-F475 HydrophobicContact CB-CD1 3.86Å; E416-F475 HydrophobicContact CB-CD2 4.16Å; E416-F475 HydrophobicContact CB-CE1 3.89Å; E416-F475 HydrophobicContact CB-CE2 4.18Å; E416-F475 HydrophobicContact CB-CG 3.99Å; E416-F475 HydrophobicContact CB-CZ 4.04Å; E416-F475 HydrophobicContact CG-CD1 3.89Å; E416-F475 HydrophobicContact CG-CE1 4.05Å; E416-F475 HydrophobicContact CG-CG 4.38Å; E416-F475 VanDerWaalsContact N-CD2 3.28Å
417	F	98.4	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-91.7	152.2	176.3	54.3	-97.5	0	0	0	112.5	I358 F361 V404 L408 F415 F421 L422 F470	I358-F417 HydrophobicContact CG1-CB 3.78Å; F361-F417 HydrophobicContact CB-CD1 4.19Å; F361-F417 HydrophobicContact CB-CE1 3.61Å; F361-F417 HydrophobicContact CB-CZ 4.35Å; F361-F417 HydrophobicContact CD1-CE1 4.38Å; F361-F417 HydrophobicContact CD1-CZ 4.44Å; F361-F417 AromaticContact CD2-CE1 3.7Å; F361-F417 HydrophobicContact CD2-CE1 3.7Å; F361-F417 AromaticContact CD2-CZ 3.59Å; F361-F417 HydrophobicContact CD2-CZ 3.59Å; F361-F417 HydrophobicContact CE2-CE1 4.41Å; F361-F417 AromaticContact CE2-CZ 3.85Å; F361-F417 HydrophobicContact CE2-CZ 3.85Å; F361-F417 HydrophobicContact CG-CD1 4.46Å; F361-F417 AromaticContact CG-CE1 3.66Å; F361-F417 HydrophobicContact CG-CE1 3.66Å; F361-F417 AromaticContact CG-CZ 3.89Å; F361-F417 HydrophobicContact CG-CZ 3.89Å; F361-F417 HydrophobicContact CZ-CZ 4.36Å; V404-F417 HydrophobicContact CG1-CE2 4.02Å; V404-F417 HydrophobicContact CG1-CZ 4.07Å; L408-F417 HydrophobicContact CD1-CD2 3.97Å; L408-F417 HydrophobicContact CD1-CE2 3.98Å; F415-F417 VanDerWaalsContact C-N 3.3Å; F415-F417 HydrophobicContact CB-CE2 4.47Å; F415-F417 AromaticContact CD1-CE1 3.81Å; F415-F417 HydrophobicContact CD1-CE1 3.81Å; F415-F417 AromaticContact CD1-CE2 3.69Å; F415-F417 HydrophobicContact CD1-CE2 3.69Å; F415-F417 AromaticContact CD1-CZ 3.31Å; F415-F417 HydrophobicContact CD1-CZ 3.31Å; F415-F417 HydrophobicContact CE1-CE2 4.33Å; F415-F417 AromaticContact CE1-CZ 3.81Å; F415-F417 HydrophobicContact CE1-CZ 3.81Å; F415-F417 HydrophobicContact CG-CE2 4.41Å; F415-F417 HydrophobicContact CG-CZ 4.35Å; F417-F421 HydrophobicContact CB-CB 3.83Å; F417-F421 HydrophobicContact CB-CD1 3.5Å; F417-F421 VanDerWaalsContact CB-CD1 3.5Å; F417-F421 HydrophobicContact CB-CE1 4.21Å; F417-F421 HydrophobicContact CB-CG 3.79Å; F417-F421 HydrophobicContact CD1-CD1 4.1Å; F417-F421 HydrophobicContact CD1-CE1 4.18Å; F417-F421 AromaticContact CD2-CD1 3.84Å; F417-F421 HydrophobicContact CD2-CD1 3.84Å; F417-F421 AromaticContact CG-CD1 3.55Å; F417-F421 HydrophobicContact CG-CD1 3.55Å; F417-F421 HydrophobicContact CG-CE1 4.1Å; F417-F421 HydrophobicContact CG-CG 4.33Å; F417-L422 HydrophobicContact CD2-CD2 4.17Å; F417-L422 HydrophobicContact CD2-CG 4.36Å; F417-L422 HydrophobicContact CE2-CD1 4.45Å; F417-L422 HydrophobicContact CE2-CD2 3.75Å; F417-L422 HydrophobicContact CE2-CG 4.22Å; F417-F470 CarbonylContact C-O 3.52Å; F417-F470 WeakPolarHBondContact CA-O 3.24Å
418	N	97.1	Very high	98	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.043	16%	0.161	C	C	.	.			trans	-97.3	-177.1	174.7	66.5	21.7	0	0	0	112.1	N420 F421 K469 F470 N472 Y512	N418-N420 VanDerWaalsContact C-N 3.32Å; N418-N420 PolarHBondContact O-N 2.88Å; N418-N420 WeakPolarHBondContact OD1-CB 3.14Å; N418-N420 PolarHBondContact OD1-N 3.07Å; N418-N420 VanDerWaalsContact OD1-N 3.09Å; N418-F421 WeakPolarHBondContact O-CB 3.5Å; N418-F421 PolarHBondContact O-N 2.78Å; N418-F421 PolarHBondContact OD1-N 3.22Å; N418-K469 PolarHBondContact ND2-O 3.11Å; N418-F470 VanDerWaalsContact CG-O 3.23Å; N418-F470 PolarHBondContact N-O 3.12Å; N418-F470 PolarHBondContact OD1-O 3.35Å; N418-N472 HydrophobicContact CB-CB 4.34Å; N418-Y512 PolarHBondContact ND2-OH 3.36Å
419	E	96.8	Very high	98	Very high	59 Å²	59	32 Å²	32	28%	0.276	16%	0.16	S	C	.	.	H	α-helix	trans	-62.3	-36.2	178.8	-180	170.7	166.8	0	0	113.1	W405 F421 L422 I423 W494 G496	W405-E419 VanDerWaalsContact NE1-CD 3.27Å; W405-E419 PolarHBondContact NE1-OE2 3.27Å; E419-F421 PolarHBondContact O-N 3.13Å; E419-L422 WeakPolarHBondContact O-CB 3.28Å; E419-L422 PolarHBondContact O-N 3.27Å; E419-I423 HydrophobicContact CG-CD1 3.96Å; E419-I423 HydrophobicContact CG-CG1 4.32Å; E419-I423 WeakPolarHBondContact O-CG1 3.38Å; E419-I423 PolarHBondContact O-N 2.79Å; E419-W494 VanDerWaalsContact CD-NE1 3.34Å; E419-W494 HydrophobicContact CG-CZ2 4.16Å; E419-W494 PolarHBondContact OE1-NE1 2.97Å; E419-G496 WeakPolarHBondContact OE1-CA 3.31Å
420	N	97	Very high	98	Very high	85 Å²	85	26.9 Å²	26.9	46%	0.455	14%	0.14	S	C	.	.	H	α-helix	trans	-61.7	-31.2	-179.6	-67.2	-29.4	0	0	0	112.3	N418 I423 M424 F470	N418-N420 VanDerWaalsContact C-N 3.32Å; N418-N420 PolarHBondContact O-N 2.88Å; N418-N420 WeakPolarHBondContact OD1-CB 3.14Å; N418-N420 PolarHBondContact OD1-N 3.07Å; N418-N420 VanDerWaalsContact OD1-N 3.09Å; N420-I423 PolarHBondContact O-N 2.85Å; N420-M424 VanDerWaalsContact O-CB 3.28Å; N420-M424 WeakPolarHBondContact O-CB 3.4Å; N420-M424 PolarHBondContact O-N 3.44Å; N420-F470 HydrophobicContact CB-CD1 4.33Å
421	F	98.6	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.8	-42.5	173.2	-175.5	-114.5	0	0	0	112.2	I358 F361 E362 F417 N418 E419 M424 L425 V461 F470	I358-F421 HydrophobicContact CG2-CE2 4.2Å; I358-F421 HydrophobicContact CG2-CZ 4.19Å; F361-F421 HydrophobicContact CB-CE1 4.44Å; F361-F421 HydrophobicContact CD1-CD1 4.49Å; F361-F421 AromaticContact CD1-CE1 3.62Å; F361-F421 HydrophobicContact CD1-CE1 3.62Å; F361-F421 HydrophobicContact CD1-CZ 4.43Å; F361-F421 HydrophobicContact CE1-CE1 4.24Å; F361-F421 HydrophobicContact CG-CE1 4.35Å; E362-F421 HydrophobicContact CG-CZ 4.17Å; F417-F421 HydrophobicContact CB-CB 3.83Å; F417-F421 HydrophobicContact CB-CD1 3.5Å; F417-F421 VanDerWaalsContact CB-CD1 3.5Å; F417-F421 HydrophobicContact CB-CE1 4.21Å; F417-F421 HydrophobicContact CB-CG 3.79Å; F417-F421 HydrophobicContact CD1-CD1 4.1Å; F417-F421 HydrophobicContact CD1-CE1 4.18Å; F417-F421 AromaticContact CD2-CD1 3.84Å; F417-F421 HydrophobicContact CD2-CD1 3.84Å; F417-F421 AromaticContact CG-CD1 3.55Å; F417-F421 HydrophobicContact CG-CD1 3.55Å; F417-F421 HydrophobicContact CG-CE1 4.1Å; F417-F421 HydrophobicContact CG-CG 4.33Å; N418-F421 WeakPolarHBondContact O-CB 3.5Å; N418-F421 PolarHBondContact O-N 2.78Å; N418-F421 PolarHBondContact OD1-N 3.22Å; E419-F421 PolarHBondContact O-N 3.13Å; F421-M424 HydrophobicContact CD2-CE 3.57Å; F421-M424 HydrophobicContact CE2-CE 3.59Å; F421-M424 PolarHBondContact O-N 2.93Å; F421-L425 HydrophobicContact CD1-CD1 4.1Å; F421-L425 HydrophobicContact CE1-CD1 3.82Å; F421-L425 HydrophobicContact CZ-CD1 4.17Å; F421-L425 WeakPolarHBondContact O-CG 3.4Å; F421-L425 PolarHBondContact O-N 3.09Å; F421-L425 VanDerWaalsContact O-N 3.08Å; F421-V461 HydrophobicContact CE2-CG1 3.91Å; F421-F470 HydrophobicContact CB-CB 4Å; F421-F470 HydrophobicContact CB-CD1 3.97Å; F421-F470 HydrophobicContact CB-CG 4.2Å; F421-F470 HydrophobicContact CD2-CB 3.93Å; F421-F470 HydrophobicContact CD2-CD1 4.23Å; F421-F470 HydrophobicContact CD2-CD2 4.27Å; F421-F470 AromaticContact CD2-CG 3.87Å; F421-F470 HydrophobicContact CD2-CG 3.87Å; F421-F470 HydrophobicContact CG-CB 4.33Å
422	L	98.8	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.3	-38.6	177.9	-57.3	179.7	0	0	0	111.4	F361 L401 V404 W405 L408 F417 E419 L425 F426 W494	F361-L422 HydrophobicContact CE1-CD2 4.05Å; F361-L422 HydrophobicContact CZ-CD2 4.01Å; L401-L422 HydrophobicContact CD2-CD2 4.06Å; V404-L422 HydrophobicContact CB-CD1 4.38Å; V404-L422 HydrophobicContact CB-CD2 4.48Å; V404-L422 HydrophobicContact CG1-CD1 4.09Å; V404-L422 HydrophobicContact CG1-CD2 4Å; W405-L422 HydrophobicContact CB-CD1 3.9Å; L408-L422 HydrophobicContact CD1-CD1 4.36Å; F417-L422 HydrophobicContact CD2-CD2 4.17Å; F417-L422 HydrophobicContact CD2-CG 4.36Å; F417-L422 HydrophobicContact CE2-CD1 4.45Å; F417-L422 HydrophobicContact CE2-CD2 3.75Å; F417-L422 HydrophobicContact CE2-CG 4.22Å; E419-L422 WeakPolarHBondContact O-CB 3.28Å; E419-L422 PolarHBondContact O-N 3.27Å; L422-L425 PolarHBondContact O-N 3.4Å; L422-F426 PolarHBondContact O-N 3.25Å; L422-W494 HydrophobicContact CB-CH2 3.69Å; L422-W494 HydrophobicContact CB-CZ2 3.94Å; L422-W494 HydrophobicContact CD1-CH2 4.46Å
423	I	98.4	Very high	97.8	Very high	19 Å²	19	22.8 Å²	22.8	10%	0.097	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-46.5	174.4	-65.7	173	0	0	0	110.6	E419 N420 L425 F426 E427 W494 I497	E419-I423 HydrophobicContact CG-CD1 3.96Å; E419-I423 HydrophobicContact CG-CG1 4.32Å; E419-I423 WeakPolarHBondContact O-CG1 3.38Å; E419-I423 PolarHBondContact O-N 2.79Å; N420-I423 PolarHBondContact O-N 2.85Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 PolarHBondContact O-N 2.68Å; I423-F426 WeakPolarHBondContact O-CB 3.26Å; I423-F426 PolarHBondContact O-N 3.07Å; I423-F426 VanDerWaalsContact O-N 3.13Å; I423-E427 WeakPolarHBondContact O-CG 3.41Å; I423-E427 PolarHBondContact O-N 3.18Å; I423-W494 HydrophobicContact CG1-CZ2 3.99Å; I423-I497 HydrophobicContact CB-CD1 4.32Å; I423-I497 HydrophobicContact CG1-CD1 3.84Å; I423-I497 HydrophobicContact CG1-CG1 4.1Å; I423-I497 HydrophobicContact CG2-CD1 4.28Å
424	M	98.4	Very high	97.9	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.039	11%	0.106	C	C	.	.	H	α-helix	trans	-56.6	-45.8	176.5	177	-76.4	-68.9	0	0	111.2	N420 F421 F426 E427 H428 L457 W460 V461 F470	N420-M424 VanDerWaalsContact O-CB 3.28Å; N420-M424 WeakPolarHBondContact O-CB 3.4Å; N420-M424 PolarHBondContact O-N 3.44Å; F421-M424 HydrophobicContact CD2-CE 3.57Å; F421-M424 HydrophobicContact CE2-CE 3.59Å; F421-M424 PolarHBondContact O-N 2.93Å; M424-F426 VanDerWaalsContact C-N 3.33Å; M424-F426 PolarHBondContact O-N 3.48Å; M424-E427 PolarHBondContact O-N 2.93Å; M424-H428 WeakPolarHBondContact O-CB 3.08Å; M424-H428 PolarHBondContact O-CD2 3.21Å; M424-H428 PolarHBondContact O-N 3.3Å; M424-H428 PolarHBondContact SD-CD2 2.7Å; M424-L457 HydrophobicContact SD-CD1 3.89Å; M424-L457 HydrophobicContact SD-CD2 3.94Å; M424-L457 HydrophobicContact SD-CG 4.34Å; M424-W460 HydrophobicContact CG-CZ3 4.1Å; M424-W460 HydrophobicContact SD-CZ3 4.33Å; M424-V461 HydrophobicContact CE-CG1 4.32Å; M424-V461 HydrophobicContact CE-CG2 3.54Å; M424-V461 HydrophobicContact SD-CG2 4.05Å; M424-F470 HydrophobicContact CB-CE1 3.94Å; M424-F470 HydrophobicContact CB-CZ 4.17Å; M424-F470 HydrophobicContact CE-CZ 4.44Å; M424-F470 HydrophobicContact CG-CE1 4.14Å; M424-F470 HydrophobicContact CG-CZ 3.84Å
425	L	98.8	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-39.3	176.9	-70.8	171	0	0	0	112.9	F361 I365 F397 L401 F421 L422 I423 A429 F437 L457 W458	F361-L425 HydrophobicContact CD1-CD1 4.05Å; F361-L425 HydrophobicContact CE1-CD1 3.57Å; I365-L425 HydrophobicContact CD1-CD1 3.62Å; I365-L425 HydrophobicContact CD1-CD2 3.95Å; I365-L425 HydrophobicContact CD1-CG 4.42Å; F397-L425 HydrophobicContact CE1-CB 4.33Å; L401-L425 HydrophobicContact CD1-CB 4.02Å; L401-L425 HydrophobicContact CD2-CB 4.24Å; L401-L425 HydrophobicContact CD2-CD1 4.06Å; F421-L425 HydrophobicContact CD1-CD1 4.1Å; F421-L425 HydrophobicContact CE1-CD1 3.82Å; F421-L425 HydrophobicContact CZ-CD1 4.17Å; F421-L425 WeakPolarHBondContact O-CG 3.4Å; F421-L425 PolarHBondContact O-N 3.09Å; F421-L425 VanDerWaalsContact O-N 3.08Å; L422-L425 PolarHBondContact O-N 3.4Å; I423-L425 VanDerWaalsContact C-N 3.32Å; I423-L425 PolarHBondContact O-N 2.68Å; L425-A429 VanDerWaalsContact O-CB 3.31Å; L425-A429 WeakPolarHBondContact O-CB 3.3Å; L425-A429 PolarHBondContact O-N 2.97Å; L425-A429 VanDerWaalsContact O-N 3.08Å; L425-F437 HydrophobicContact CD2-CE2 4.39Å; L425-F437 HydrophobicContact CD2-CZ 4.12Å; L425-L457 HydrophobicContact CD2-CD2 4.24Å; L425-W458 HydrophobicContact CD2-CH2 3.58Å; L425-W458 HydrophobicContact CD2-CZ3 3.74Å
426	F	98.7	Very high	97.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-51.5	173.8	158.8	-111	0	0	0	110.8	D75 F76 L398 L401 L422 I423 M424 H428 A429 Y430 I497	D75-F426 HydrophobicContact CB-CE1 4.38Å; F76-F426 HydrophobicContact CD2-CE1 4.47Å; F76-F426 HydrophobicContact CD2-CZ 4.2Å; F76-F426 HydrophobicContact CE1-CZ 4.41Å; F76-F426 HydrophobicContact CE2-CE1 4.1Å; F76-F426 HydrophobicContact CE2-CE2 4.29Å; F76-F426 AromaticContact CE2-CZ 3.55Å; F76-F426 HydrophobicContact CE2-CZ 3.55Å; F76-F426 HydrophobicContact CZ-CE2 4.12Å; F76-F426 AromaticContact CZ-CZ 3.67Å; F76-F426 HydrophobicContact CZ-CZ 3.67Å; L398-F426 HydrophobicContact CB-CD2 4.23Å; L398-F426 HydrophobicContact CD1-CB 4.47Å; L398-F426 HydrophobicContact CD1-CD2 3.7Å; L398-F426 HydrophobicContact CD1-CE2 4.14Å; L398-F426 HydrophobicContact CD1-CG 4.13Å; L398-F426 HydrophobicContact CD2-CD2 4.22Å; L398-F426 HydrophobicContact CD2-CE2 3.87Å; L398-F426 HydrophobicContact CG-CD2 4.26Å; L398-F426 HydrophobicContact CG-CE2 4.41Å; L401-F426 HydrophobicContact CD1-CB 3.89Å; L422-F426 PolarHBondContact O-N 3.25Å; I423-F426 WeakPolarHBondContact O-CB 3.26Å; I423-F426 PolarHBondContact O-N 3.07Å; I423-F426 VanDerWaalsContact O-N 3.13Å; M424-F426 VanDerWaalsContact C-N 3.33Å; M424-F426 PolarHBondContact O-N 3.48Å; F426-H428 PolarHBondContact O-N 3.16Å; F426-A429 PolarHBondContact O-N 2.87Å; F426-Y430 AromaticContact CD2-CD2 3.76Å; F426-Y430 HydrophobicContact CD2-CD2 3.76Å; F426-Y430 AromaticContact CD2-CE2 3.61Å; F426-Y430 HydrophobicContact CD2-CE2 3.61Å; F426-Y430 AromaticContact CE2-CD2 3.57Å; F426-Y430 HydrophobicContact CE2-CD2 3.57Å; F426-Y430 AromaticContact CE2-CE2 3.35Å; F426-Y430 HydrophobicContact CE2-CE2 3.35Å; F426-Y430 HydrophobicContact CZ-CD2 4.45Å; F426-Y430 HydrophobicContact CZ-CE2 4.49Å; F426-Y430 WeakPolarHBondContact O-CD2 3.22Å; F426-Y430 PolarHBondContact O-N 3.38Å; F426-I497 HydrophobicContact CB-CD1 4.24Å; F426-I497 HydrophobicContact CD1-CD1 3.48Å; F426-I497 VanDerWaalsContact CD1-CD1 3.48Å; F426-I497 HydrophobicContact CE1-CD1 4.05Å; F426-I497 HydrophobicContact CG-CD1 4.01Å
427	E	98.1	Very high	97.9	Very high	64 Å²	64	18.1 Å²	18.1	30%	0.299	9%	0.093	S	C	.	.	H	α-helix	trans	-60.9	-49.4	-177.5	-68.7	178.6	155.9	0	0	111.6	I423 M424 A429 Y430 A431 R500	I423-E427 WeakPolarHBondContact O-CG 3.41Å; I423-E427 PolarHBondContact O-N 3.18Å; M424-E427 PolarHBondContact O-N 2.93Å; E427-A429 PolarHBondContact O-N 2.84Å; E427-Y430 PolarHBondContact O-N 2.88Å; E427-Y430 VanDerWaalsContact O-N 3.09Å; E427-A431 PolarHBondContact O-N 3.11Å; E427-R500 IonicContact OE1-CZ 3.95Å; E427-R500 IonicContact OE1-NH1 2.78Å; E427-R500 PolarHBondContact OE1-NH1 2.98Å; E427-R500 IonicContact OE1-NH2 2.7Å; E427-R500 PolarHBondContact OE1-NH2 2.93Å
428	H	98.5	Very high	97.8	Very high	22 Å²	22	19 Å²	19	10%	0.102	10%	0.098	C	C	.	.	H	α-helix	trans	-69.9	-17.4	-179.3	-75.1	-72.9	0	0	0	114.1	M424 F426 S432 F434 F437 L457 W460	M424-H428 WeakPolarHBondContact O-CB 3.08Å; M424-H428 PolarHBondContact O-CD2 3.21Å; M424-H428 PolarHBondContact O-N 3.3Å; M424-H428 PolarHBondContact SD-CD2 2.7Å; F426-H428 PolarHBondContact O-N 3.16Å; H428-S432 PolarHBondContact ND1-OG 3.34Å; H428-S432 VanDerWaalsContact O-CB 3.31Å; H428-S432 WeakPolarHBondContact O-CB 3.39Å; H428-F434 AromaticContact CE1-CD2 3.8Å; H428-F434 AromaticContact CE1-CE2 3.68Å; H428-F434 AromaticContact ND1-CD2 3.72Å; H428-F437 HydrophobicContact CB-CD2 4.41Å; H428-F437 HydrophobicContact CB-CE2 4.45Å; H428-F437 WeakPolarHBondContact O-CD2 3.35Å; H428-L457 HydrophobicContact CB-CD1 4.38Å; H428-L457 HydrophobicContact CB-CD2 4.07Å; H428-W460 AromaticContact NE2-CZ3 3.87Å
429	A	98.3	Very high	97.8	Very high	9 Å²	9	18.7 Å²	18.7	7%	0.074	10%	0.096	C	C	.	.	H	α-helix	trans	-73.7	-30.5	170.9	0	0	0	0	0	112.5	F376 C380 F397 L425 F426 E427 F437	F376-A429 HydrophobicContact CD1-CB 4.39Å; F376-A429 HydrophobicContact CE1-CB 4.26Å; C380-A429 WeakPolarHBondContact CB-O 2.99Å; F397-A429 HydrophobicContact CD1-CB 3.81Å; F397-A429 HydrophobicContact CE1-CB 4.09Å; L425-A429 VanDerWaalsContact O-CB 3.31Å; L425-A429 WeakPolarHBondContact O-CB 3.3Å; L425-A429 PolarHBondContact O-N 2.97Å; L425-A429 VanDerWaalsContact O-N 3.08Å; F426-A429 PolarHBondContact O-N 2.87Å; E427-A429 PolarHBondContact O-N 2.84Å; A429-F437 HydrophobicContact CB-CD2 4.37Å; A429-F437 HydrophobicContact CB-CG 4.29Å
430	Y	96.9	Very high	97.8	Very high	15 Å²	15	16.7 Å²	16.7	6%	0.059	9%	0.087	C	C	.	.	H	α-helix	trans	-95.1	-38.2	-179.6	-78.3	-91.9	0	0	0	113.5	K74 C380 F426 E427	K74-Y430 HydrophobicContact CB-CD1 3.99Å; K74-Y430 HydrophobicContact CB-CG 4.27Å; K74-Y430 HydrophobicContact CD-CD1 4.08Å; K74-Y430 HydrophobicContact CG-CD1 4.42Å; C380-Y430 HydrophobicContact CB-CD1 3.8Å; C380-Y430 HydrophobicContact CB-CE1 3.98Å; C380-Y430 HydrophobicContact CB-CG 4.14Å; C380-Y430 WeakPolarHBondContact O-CD1 3.25Å; F426-Y430 AromaticContact CD2-CD2 3.76Å; F426-Y430 HydrophobicContact CD2-CD2 3.76Å; F426-Y430 AromaticContact CD2-CE2 3.61Å; F426-Y430 HydrophobicContact CD2-CE2 3.61Å; F426-Y430 AromaticContact CE2-CD2 3.57Å; F426-Y430 HydrophobicContact CE2-CD2 3.57Å; F426-Y430 AromaticContact CE2-CE2 3.35Å; F426-Y430 HydrophobicContact CE2-CE2 3.35Å; F426-Y430 HydrophobicContact CZ-CD2 4.45Å; F426-Y430 HydrophobicContact CZ-CE2 4.49Å; F426-Y430 WeakPolarHBondContact O-CD2 3.22Å; F426-Y430 PolarHBondContact O-N 3.38Å; E427-Y430 PolarHBondContact O-N 2.88Å; E427-Y430 VanDerWaalsContact O-N 3.09Å
431	A	96.1	Very high	97.8	Very high	14 Å²	14	13.6 Å²	13.6	12%	0.116	7%	0.071	C	C	.	.	S	Bend	trans	-151.4	125.3	177.9	0	0	0	0	0	110.8	L51 N54 E427	L51-A431 HydrophobicContact CD1-CB 4.36Å; N54-A431 HydrophobicContact CB-CB 3.49Å; N54-A431 VanDerWaalsContact CB-CB 3.49Å; E427-A431 PolarHBondContact O-N 3.11Å
432	S	96.9	Very high	97.6	Very high	14 Å²	14	14.7 Å²	14.7	10%	0.098	8%	0.076	C	C	.	.			trans	-150.6	153.2	-172.6	-170.7	0	0	0	0	112	P110 H428 F434	P110-S432 WeakPolarHBondContact CD-O 3.47Å; P110-S432 VanDerWaalsContact CG-O 3.28Å; P110-S432 WeakPolarHBondContact CG-O 3.43Å; H428-S432 PolarHBondContact ND1-OG 3.34Å; H428-S432 VanDerWaalsContact O-CB 3.31Å; H428-S432 WeakPolarHBondContact O-CB 3.39Å; S432-F434 VanDerWaalsContact C-N 3.28Å; S432-F434 WeakPolarHBondContact OG-CB 3.39Å; S432-F434 WeakPolarHBondContact OG-CD2 3.31Å; S432-F434 PolarHBondContact OG-N 3.35Å
433	Q	96.6	Very high	97.5	Very high	48 Å²	48	15 Å²	15	22%	0.224	8%	0.078	C	C	.	.	S	Bend	trans	-81.6	-7.4	162.5	65.3	-116.7	3.5	0	0	113.4	Y109 P110 Y113	Y109-Q433 HydrophobicContact CD1-CB 3.64Å; Y109-Q433 HydrophobicContact CE1-CB 3.52Å; P110-Q433 WeakPolarHBondContact CA-O 3.36Å; Y113-Q433 WeakPolarHBondContact CB-O 3.22Å; Y113-Q433 HydrophobicContact CD1-CB 4.13Å; Y113-Q433 HydrophobicContact CD1-CG 4.17Å; Y113-Q433 WeakPolarHBondContact CD1-O 3.36Å; Y113-Q433 HydrophobicContact CD2-CB 3.76Å; Y113-Q433 HydrophobicContact CD2-CG 4.18Å; Y113-Q433 HydrophobicContact CE1-CB 4.45Å; Y113-Q433 HydrophobicContact CE1-CG 4.02Å; Y113-Q433 HydrophobicContact CE2-CB 4.1Å; Y113-Q433 HydrophobicContact CE2-CG 4.02Å; Y113-Q433 HydrophobicContact CG-CB 3.77Å; Y113-Q433 HydrophobicContact CG-CG 4.25Å
434	F	98.2	Very high	97.4	Very high	2 Å²	2	17 Å²	17	1%	0.009	9%	0.087	C	C	.	.	S	Bend	trans	-103.5	151.3	-177.6	-52.8	-67.2	0	0	0	111.8	P110 Y113 H428 S432 M455 L457 W460	P110-F434 VanDerWaalsContact CG-O 3.3Å; P110-F434 WeakPolarHBondContact CG-O 3.21Å; Y113-F434 HydrophobicContact CE1-CD1 4.32Å; Y113-F434 AromaticContact CE1-CE1 3.84Å; Y113-F434 HydrophobicContact CE1-CE1 3.84Å; H428-F434 AromaticContact CE1-CD2 3.8Å; H428-F434 AromaticContact CE1-CE2 3.68Å; H428-F434 AromaticContact ND1-CD2 3.72Å; S432-F434 VanDerWaalsContact C-N 3.28Å; S432-F434 WeakPolarHBondContact OG-CB 3.39Å; S432-F434 WeakPolarHBondContact OG-CD2 3.31Å; S432-F434 PolarHBondContact OG-N 3.35Å; F434-M455 CarbonylContact C-O 3.53Å; F434-M455 WeakPolarHBondContact CA-O 3.39Å; F434-M455 WeakPolarHBondContact CB-O 3.46Å; F434-M455 HydrophobicContact CD1-CB 3.98Å; F434-M455 HydrophobicContact CD1-CG 3.69Å; F434-M455 HydrophobicContact CD1-SD 4.18Å; F434-M455 HydrophobicContact CE1-CG 3.9Å; F434-M455 HydrophobicContact CE1-SD 3.78Å; F434-L457 HydrophobicContact CB-CB 4.01Å; F434-L457 HydrophobicContact CD2-CB 4.06Å; F434-L457 HydrophobicContact CD2-CD1 3.37Å; F434-L457 HydrophobicContact CD2-CG 4.33Å; F434-L457 HydrophobicContact CE2-CD1 3.58Å; F434-L457 HydrophobicContact CG-CB 4.1Å; F434-L457 HydrophobicContact CG-CD1 4.24Å; F434-W460 HydrophobicContact CE1-CB 3.7Å; F434-W460 HydrophobicContact CE1-CG 4.21Å; F434-W460 HydrophobicContact CE2-CB 4.21Å; F434-W460 AromaticContact CE2-CD2 3.95Å; F434-W460 HydrophobicContact CE2-CD2 3.95Å; F434-W460 AromaticContact CE2-CE3 3.73Å; F434-W460 HydrophobicContact CE2-CE3 3.73Å; F434-W460 HydrophobicContact CE2-CG 4.17Å; F434-W460 HydrophobicContact CE2-CZ3 4.45Å; F434-W460 HydrophobicContact CZ-CB 3.37Å; F434-W460 AromaticContact CZ-CD2 3.7Å; F434-W460 HydrophobicContact CZ-CD2 3.7Å; F434-W460 AromaticContact CZ-CE3 3.96Å; F434-W460 HydrophobicContact CZ-CE3 3.96Å; F434-W460 AromaticContact CZ-CG 3.44Å; F434-W460 HydrophobicContact CZ-CG 3.44Å; F434-W460 VanDerWaalsContact CZ-CG 3.44Å
435	G	97.9	Very high	97.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-84.6	-4.8	-179.8	0	0	0	0	0	114.8	F437 L438 M455	G435-F437 VanDerWaalsContact C-N 3.3Å; G435-F437 PolarHBondContact O-N 2.94Å; G435-L438 WeakPolarHBondContact O-CB 3.49Å; G435-L438 PolarHBondContact O-N 3.09Å; G435-M455 PolarHBondContact N-O 3.3Å
436	T	98.4	Very high	97.3	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-39.3	-170.4	-63.6	0	0	0	0	113.8	L370 R445 S456 L457 W458	L370-T436 HydrophobicContact CD1-CG2 3.67Å; L370-T436 VanDerWaalsContact CD2-O 3.24Å; L370-T436 WeakPolarHBondContact CD2-O 3.46Å; T436-R445 VanDerWaalsContact O-CZ 3.26Å; T436-R445 PolarHBondContact O-NH1 3.44Å; T436-R445 PolarHBondContact O-NH2 3.34Å; T436-S456 PolarHBondContact OG1-OG 3.16Å; T436-L457 HydrophobicContact CG2-CB 4.27Å; T436-L457 WeakPolarHBondContact OG1-CB 3.37Å; T436-L457 PolarHBondContact OG1-N 2.82Å; T436-W458 HydrophobicContact CG2-CZ2 3.79Å
437	F	98.3	Very high	97.2	Very high	11 Å²	11	27.4 Å²	27.4	5%	0.048	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.6	-179.4	-65.2	-70	0	0	0	114	I365 L370 F376 F397 L425 H428 A429 G435 L457 W458	I365-F437 HydrophobicContact CG2-CE1 3.94Å; I365-F437 HydrophobicContact CG2-CZ 4.2Å; L370-F437 HydrophobicContact CD2-CD1 3.86Å; L370-F437 HydrophobicContact CD2-CE1 4.27Å; F376-F437 VanDerWaalsContact CB-O 3.22Å; F376-F437 WeakPolarHBondContact CB-O 3.47Å; F376-F437 HydrophobicContact CD1-CB 4.33Å; F376-F437 AromaticContact CD1-CD1 3.83Å; F376-F437 HydrophobicContact CD1-CD1 3.83Å; F376-F437 HydrophobicContact CD1-CG 4.44Å; F376-F437 HydrophobicContact CD2-CD1 4.15Å; F376-F437 AromaticContact CE1-CD1 3.51Å; F376-F437 HydrophobicContact CE1-CD1 3.51Å; F376-F437 AromaticContact CE1-CE1 3.9Å; F376-F437 HydrophobicContact CE1-CE1 3.9Å; F376-F437 HydrophobicContact CE1-CG 4.43Å; F376-F437 AromaticContact CE2-CD1 3.85Å; F376-F437 HydrophobicContact CE2-CD1 3.85Å; F376-F437 HydrophobicContact CE2-CE1 4.25Å; F376-F437 HydrophobicContact CG-CB 4.41Å; F376-F437 HydrophobicContact CG-CD1 4.14Å; F376-F437 AromaticContact CZ-CD1 3.52Å; F376-F437 HydrophobicContact CZ-CD1 3.52Å; F376-F437 AromaticContact CZ-CE1 3.68Å; F376-F437 HydrophobicContact CZ-CE1 3.68Å; F397-F437 HydrophobicContact CE1-CE1 4.12Å; F397-F437 HydrophobicContact CE1-CZ 4.17Å; F397-F437 HydrophobicContact CZ-CE1 4.08Å; F397-F437 HydrophobicContact CZ-CZ 4.2Å; L425-F437 HydrophobicContact CD2-CE2 4.39Å; L425-F437 HydrophobicContact CD2-CZ 4.12Å; H428-F437 HydrophobicContact CB-CD2 4.41Å; H428-F437 HydrophobicContact CB-CE2 4.45Å; H428-F437 WeakPolarHBondContact O-CD2 3.35Å; A429-F437 HydrophobicContact CB-CD2 4.37Å; A429-F437 HydrophobicContact CB-CG 4.29Å; G435-F437 VanDerWaalsContact C-N 3.3Å; G435-F437 PolarHBondContact O-N 2.94Å; F437-L457 HydrophobicContact CD2-CD2 4.42Å; F437-L457 HydrophobicContact CE2-CD2 3.68Å; F437-W458 HydrophobicContact CZ-CH2 4.31Å
438	L	97.3	Very high	97.1	Very high	19 Å²	19	25.8 Å²	25.8	10%	0.099	13%	0.131	C	C	.	.			trans	-80.1	149	176.9	-65.6	-173.3	0	0	0	113.1	I105 M108 P110 F111 G435 R445 L450	I105-L438 HydrophobicContact CG2-CB 4.44Å; I105-L438 HydrophobicContact CG2-CD1 4.16Å; M108-L438 HydrophobicContact SD-CD2 3.93Å; P110-L438 HydrophobicContact CB-CD1 3.83Å; P110-L438 HydrophobicContact CG-CD1 3.89Å; P110-L438 HydrophobicContact CG-CG 4.44Å; F111-L438 HydrophobicContact CD2-CD1 4.46Å; F111-L438 HydrophobicContact CE2-CD1 3.87Å; G435-L438 WeakPolarHBondContact O-CB 3.49Å; G435-L438 PolarHBondContact O-N 3.09Å; L438-R445 WeakPolarHBondContact O-CG 3.38Å; L438-R445 PolarHBondContact O-NH1 3.32Å; L438-L450 HydrophobicContact CB-CD1 3.92Å; L438-L450 HydrophobicContact CB-CD2 4.24Å; L438-L450 HydrophobicContact CD1-CD2 4.16Å
439	G	96.6	Very high	97.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	83.7	174.8	178.7	0	0	0	0	0	114	Q377	Q377-G439 PolarHBondContact N-O 2.87Å
440	N	97.3	Very high	97.1	Very high	16 Å²	16	30 Å²	30	9%	0.086	15%	0.148	C	C	.	.	S	Bend	trans	-106	-15.1	-179.4	-59.9	-68.9	0	0	0	114.7	G373 H374 P375 Q377 Q378 E444	G373-N440 CarbonylContact C-O 3.49Å; H374-N440 CarbonylContact C-O 3.52Å; P375-N440 WeakPolarHBondContact CA-O 3.33Å; P375-N440 HydrophobicContact CB-CB 3.88Å; Q377-N440 WeakPolarHBondContact CB-OD1 3.27Å; Q378-N440 VanDerWaalsContact CG-OD1 3.29Å; Q378-N440 WeakPolarHBondContact CG-OD1 3.42Å; Q378-N440 PolarHBondContact N-OD1 2.85Å; N440-E444 VanDerWaalsContact CB-OE2 3.28Å; N440-E444 WeakPolarHBondContact CB-OE2 3.08Å; N440-E444 PolarHBondContact N-OE2 3.42Å; N440-E444 PolarHBondContact ND2-OE2 3.18Å
441	N	96.9	Very high	97	Very high	21 Å²	21	32.8 Å²	32.8	11%	0.112	16%	0.161	C	C	.	.	S	Bend	trans	-166.6	167.6	-176.6	51.6	74.7	0	0	0	111.2	P156 S443 E444 R445	P156-N441 PolarHBondContact O-OD1 2.96Å; N441-S443 VanDerWaalsContact C-N 3.31Å; N441-S443 PolarHBondContact O-N 3.46Å; N441-S443 WeakPolarHBondContact OD1-CB 3.43Å; N441-S443 PolarHBondContact OD1-N 3.06Å; N441-E444 PolarHBondContact ND2-OE1 2.91Å; N441-E444 PolarHBondContact O-N 2.9Å; N441-E444 WeakPolarHBondContact OD1-CG 3.46Å; N441-E444 PolarHBondContact OD1-N 3.02Å; N441-R445 WeakPolarHBondContact O-CD 3.39Å; N441-R445 WeakPolarHBondContact O-CG 3.4Å; N441-R445 PolarHBondContact O-N 3Å
442	E	93.7	Very high	97	Very high	23 Å²	23	38.5 Å²	38.5	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-59.5	-37.5	-178.3	-161.2	61	-164.1	0	0	113.3	F152 E444 R445 C446	F152-E442 HydrophobicContact CE1-CB 3.94Å; F152-E442 HydrophobicContact CE1-CG 3.97Å; F152-E442 HydrophobicContact CZ-CB 4.47Å; F152-E442 HydrophobicContact CZ-CG 4.12Å; E442-E444 PolarHBondContact O-N 2.69Å; E442-R445 PolarHBondContact O-N 2.87Å; E442-R445 IonicContact OE2-NE 2.93Å; E442-C446 PolarHBondContact O-N 3.3Å; E442-C446 PolarHBondContact O-SG 3.01Å
443	S	97.3	Very high	97	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-45.2	176.7	-172.9	0	0	0	0	112.4	P156 N441 K447	P156-S443 VanDerWaalsContact O-CB 3.25Å; P156-S443 WeakPolarHBondContact O-CB 3.27Å; N441-S443 VanDerWaalsContact C-N 3.31Å; N441-S443 PolarHBondContact O-N 3.46Å; N441-S443 WeakPolarHBondContact OD1-CB 3.43Å; N441-S443 PolarHBondContact OD1-N 3.06Å; S443-K447 VanDerWaalsContact O-CG 3.28Å; S443-K447 WeakPolarHBondContact O-CG 3.45Å; S443-K447 PolarHBondContact O-N 3.26Å
444	E	97.2	Very high	97.1	Very high	60 Å²	60	41.3 Å²	41.3	28%	0.28	20%	0.197	S	C	.	.	H	α-helix	trans	-63.4	-44.4	174.9	-75.9	171.4	-149.7	0	0	111.8	N440 N441 E442 C446 K447 L448	N440-E444 VanDerWaalsContact CB-OE2 3.28Å; N440-E444 WeakPolarHBondContact CB-OE2 3.08Å; N440-E444 PolarHBondContact N-OE2 3.42Å; N440-E444 PolarHBondContact ND2-OE2 3.18Å; N441-E444 PolarHBondContact ND2-OE1 2.91Å; N441-E444 PolarHBondContact O-N 2.9Å; N441-E444 WeakPolarHBondContact OD1-CG 3.46Å; N441-E444 PolarHBondContact OD1-N 3.02Å; E442-E444 PolarHBondContact O-N 2.69Å; E444-C446 VanDerWaalsContact C-N 3.33Å; E444-C446 PolarHBondContact O-N 3.33Å; E444-K447 PolarHBondContact O-N 3.23Å; E444-K447 VanDerWaalsContact O-N 3.16Å; E444-L448 WeakPolarHBondContact O-CB 3.3Å; E444-L448 VanDerWaalsContact O-CG 3.3Å; E444-L448 WeakPolarHBondContact O-CG 3.43Å; E444-L448 PolarHBondContact O-N 2.8Å
445	R	97.2	Very high	97	Very high	14 Å²	14	42.4 Å²	42.4	5%	0.053	20%	0.202	C	C	.	.	H	α-helix	trans	-59.5	-42.9	178.6	-66.5	165.5	69.1	89.2	-11.4	111.7	T436 L438 N441 E442 L448 K449 L450	T436-R445 VanDerWaalsContact O-CZ 3.26Å; T436-R445 PolarHBondContact O-NH1 3.44Å; T436-R445 PolarHBondContact O-NH2 3.34Å; L438-R445 WeakPolarHBondContact O-CG 3.38Å; L438-R445 PolarHBondContact O-NH1 3.32Å; N441-R445 WeakPolarHBondContact O-CD 3.39Å; N441-R445 WeakPolarHBondContact O-CG 3.4Å; N441-R445 PolarHBondContact O-N 3Å; E442-R445 PolarHBondContact O-N 2.87Å; E442-R445 IonicContact OE2-NE 2.93Å; R445-L448 PolarHBondContact O-N 3.31Å; R445-K449 PolarHBondContact O-N 2.63Å; R445-K449 VanDerWaalsContact O-N 3.15Å; R445-L450 HydrophobicContact CB-CD1 3.83Å; R445-L450 HydrophobicContact CB-CG 4.46Å; R445-L450 HydrophobicContact CG-CD1 3.7Å; R445-L450 PolarHBondContact O-N 3.33Å
446	C	96.1	Very high	97	Very high	56 Å²	56	42.4 Å²	42.4	38%	0.378	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-44	173.6	-67.9	0	0	0	0	112.3	F152 E442 E444 L448 K449	F152-C446 HydrophobicContact CE2-CB 4.15Å; F152-C446 HydrophobicContact CZ-CB 4.36Å; E442-C446 PolarHBondContact O-N 3.3Å; E442-C446 PolarHBondContact O-SG 3.01Å; E444-C446 VanDerWaalsContact C-N 3.33Å; E444-C446 PolarHBondContact O-N 3.33Å; C446-L448 VanDerWaalsContact C-N 3.3Å; C446-L448 PolarHBondContact O-N 3.36Å; C446-K449 PolarHBondContact O-N 2.93Å
447	K	97.1	Very high	97	Very high	159 Å²	159	42.4 Å²	42.4	69%	0.691	20%	0.202	S	C	*	.	H	α-helix	trans	-61.9	-38.6	177.4	-73.6	169.4	-173.6	169.3	0	112.2	S443 E444 K449	S443-K447 VanDerWaalsContact O-CG 3.28Å; S443-K447 WeakPolarHBondContact O-CG 3.45Å; S443-K447 PolarHBondContact O-N 3.26Å; E444-K447 PolarHBondContact O-N 3.23Å; E444-K447 VanDerWaalsContact O-N 3.16Å; K447-K449 PolarHBondContact O-N 2.86Å
448	L	97.2	Very high	97	Very high	31 Å²	31	41.9 Å²	41.9	16%	0.162	20%	0.2	C	C	.	.	H	α-helix	trans	-71.9	-14.3	175.9	-71	170.1	0	0	0	113	I105 T106 F111 E444 R445 C446 L450	I105-L448 HydrophobicContact CB-CD1 4.46Å; I105-L448 HydrophobicContact CB-CD2 4.48Å; I105-L448 HydrophobicContact CD1-CD1 4.15Å; I105-L448 HydrophobicContact CG2-CD1 3.96Å; T106-L448 HydrophobicContact CG2-CD2 3.72Å; F111-L448 HydrophobicContact CZ-CB 4.39Å; F111-L448 HydrophobicContact CZ-CD2 4.49Å; E444-L448 WeakPolarHBondContact O-CB 3.3Å; E444-L448 VanDerWaalsContact O-CG 3.3Å; E444-L448 WeakPolarHBondContact O-CG 3.43Å; E444-L448 PolarHBondContact O-N 2.8Å; R445-L448 PolarHBondContact O-N 3.31Å; C446-L448 VanDerWaalsContact C-N 3.3Å; C446-L448 PolarHBondContact O-N 3.36Å; L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 HydrophobicContact CB-CD2 3.86Å; L448-L450 HydrophobicContact CB-CG 3.97Å; L448-L450 HydrophobicContact CD1-CD2 4.34Å; L448-L450 PolarHBondContact O-N 3Å
449	K	97.7	Very high	97	Very high	117 Å²	117	41.1 Å²	41.1	51%	0.509	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	43.6	-176.7	-61.3	-177.6	179.8	-174.4	0	111.9	R445 C446 K447 Q451 Q452 K453	R445-K449 PolarHBondContact O-N 2.63Å; R445-K449 VanDerWaalsContact O-N 3.15Å; C446-K449 PolarHBondContact O-N 2.93Å; K447-K449 PolarHBondContact O-N 2.86Å; K449-Q451 VanDerWaalsContact C-N 3.32Å; K449-Q451 PolarHBondContact O-N 3.08Å; K449-Q452 VanDerWaalsContact C-OE1 3.32Å; K449-Q452 VanDerWaalsContact CA-OE1 3.23Å; K449-Q452 VanDerWaalsContact CB-OE1 3.26Å; K449-Q452 PolarHBondContact O-N 3.02Å; K449-Q452 VanDerWaalsContact O-N 3.09Å; K449-Q452 PolarHBondContact O-OE1 3.29Å; K449-K453 HydrophobicContact CB-CD 4.19Å; K449-K453 HydrophobicContact CB-CG 4.19Å; K449-K453 WeakPolarHBondContact O-CB 3.44Å; K449-K453 WeakPolarHBondContact O-CG 3.49Å; K449-K453 PolarHBondContact O-N 2.91Å
450	L	97.5	Very high	97	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-44.5	-173.3	-66.1	-177.5	0	0	0	112.2	F111 W124 L438 R445 L448 Q452 K453 T454	F111-L450 HydrophobicContact CE1-CD2 4.29Å; F111-L450 HydrophobicContact CE2-CD2 4.11Å; F111-L450 HydrophobicContact CZ-CD2 3.54Å; W124-L450 HydrophobicContact CH2-CB 3.94Å; W124-L450 HydrophobicContact CZ2-CB 4.28Å; L438-L450 HydrophobicContact CB-CD1 3.92Å; L438-L450 HydrophobicContact CB-CD2 4.24Å; L438-L450 HydrophobicContact CD1-CD2 4.16Å; R445-L450 HydrophobicContact CB-CD1 3.83Å; R445-L450 HydrophobicContact CB-CG 4.46Å; R445-L450 HydrophobicContact CG-CD1 3.7Å; R445-L450 PolarHBondContact O-N 3.33Å; L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 HydrophobicContact CB-CD2 3.86Å; L448-L450 HydrophobicContact CB-CG 3.97Å; L448-L450 HydrophobicContact CD1-CD2 4.34Å; L448-L450 PolarHBondContact O-N 3Å; L450-Q452 PolarHBondContact O-N 3.15Å; L450-K453 PolarHBondContact O-N 2.91Å; L450-T454 HydrophobicContact CD2-CG2 4.11Å; L450-T454 PolarHBondContact O-N 2.69Å; L450-T454 PolarHBondContact O-OG1 3.14Å
451	Q	95.5	Very high	96.9	Very high	74 Å²	74	42.4 Å²	42.4	35%	0.346	20%	0.199	S	C	.	.	H	α-helix	trans	-55.8	-34.8	177.4	-65.7	174.2	-17.6	0	0	113	W124 K449	W124-Q451 HydrophobicContact CB-CB 4.44Å; W124-Q451 HydrophobicContact CB-CG 4.08Å; W124-Q451 HydrophobicContact CD2-CB 4.23Å; W124-Q451 HydrophobicContact CD2-CG 3.79Å; W124-Q451 HydrophobicContact CE3-CG 3.74Å; W124-Q451 HydrophobicContact CG-CB 4.14Å; W124-Q451 HydrophobicContact CG-CG 3.96Å; W124-Q451 HydrophobicContact CZ3-CG 4.41Å; K449-Q451 VanDerWaalsContact C-N 3.32Å; K449-Q451 PolarHBondContact O-N 3.08Å
452	Q	96.1	Very high	96.9	Very high	133 Å²	133	42 Å²	42	62%	0.621	20%	0.198	S	C	*	.	H	α-helix	trans	-92.9	-22.3	-178.1	-58.2	81.9	17.7	0	0	113.4	K449 L450	K449-Q452 VanDerWaalsContact C-OE1 3.32Å; K449-Q452 VanDerWaalsContact CA-OE1 3.23Å; K449-Q452 VanDerWaalsContact CB-OE1 3.26Å; K449-Q452 PolarHBondContact O-N 3.02Å; K449-Q452 VanDerWaalsContact O-N 3.09Å; K449-Q452 PolarHBondContact O-OE1 3.29Å; L450-Q452 PolarHBondContact O-N 3.15Å
453	K	97.5	Very high	96.9	Very high	107 Å²	107	42.2 Å²	42.2	47%	0.465	20%	0.198	S	C	.	.	H	α-helix	trans	-111.3	-13.2	-170	-68.9	-170.7	173.7	-175.4	0	114.5	F111 K449 L450	F111-K453 HydrophobicContact CD1-CB 3.84Å; F111-K453 HydrophobicContact CD1-CD 4.1Å; F111-K453 HydrophobicContact CE1-CB 3.92Å; F111-K453 HydrophobicContact CE1-CD 3.97Å; K449-K453 HydrophobicContact CB-CD 4.19Å; K449-K453 HydrophobicContact CB-CG 4.19Å; K449-K453 WeakPolarHBondContact O-CB 3.44Å; K449-K453 WeakPolarHBondContact O-CG 3.49Å; K449-K453 PolarHBondContact O-N 2.91Å; L450-K453 PolarHBondContact O-N 2.91Å
454	T	97.8	Very high	96.7	Very high	15 Å²	15	46.2 Å²	46.2	9%	0.092	22%	0.224	C	C	.	.	S	Bend	trans	-138.2	164.6	-175.2	68.5	0	0	0	0	110.3	P110 F111 W124 L450	P110-T454 HydrophobicContact CB-CG2 4.02Å; P110-T454 WeakPolarHBondContact O-CB 3.28Å; P110-T454 WeakPolarHBondContact O-CG2 3.44Å; F111-T454 HydrophobicContact CD1-CG2 3.94Å; F111-T454 HydrophobicContact CD2-CG2 4.1Å; F111-T454 HydrophobicContact CE1-CG2 4.02Å; F111-T454 HydrophobicContact CE2-CG2 4.16Å; F111-T454 HydrophobicContact CG-CG2 3.99Å; F111-T454 HydrophobicContact CZ-CG2 4.14Å; W124-T454 WeakPolarHBondContact CZ2-OG1 3.4Å; W124-T454 PolarHBondContact NE1-O 3.19Å; L450-T454 HydrophobicContact CD2-CG2 4.11Å; L450-T454 PolarHBondContact O-N 2.69Å; L450-T454 PolarHBondContact O-OG1 3.14Å
455	M	97.1	Very high	96.5	Very high	24 Å²	24	45.6 Å²	45.6	12%	0.118	23%	0.234	C	C	.	.			trans	-91.9	143.6	176.6	177.5	163.5	-77.4	0	0	111.4	Y113 P115 F117 V119 F434 G435	Y113-M455 HydrophobicContact CD1-CB 4.24Å; Y113-M455 HydrophobicContact CD1-SD 4.45Å; Y113-M455 HydrophobicContact CE1-CB 4.46Å; Y113-M455 HydrophobicContact CE1-SD 3.79Å; P115-M455 HydrophobicContact CB-CE 3.39Å; P115-M455 HydrophobicContact CB-SD 3.85Å; P115-M455 HydrophobicContact CG-CE 3.24Å; P115-M455 HydrophobicContact CG-SD 4.31Å; F117-M455 HydrophobicContact CE1-SD 3.97Å; F117-M455 HydrophobicContact CE2-SD 4.5Å; F117-M455 HydrophobicContact CZ-CE 4.21Å; F117-M455 HydrophobicContact CZ-SD 3.52Å; F117-M455 VanDerWaalsContact CZ-SD 3.52Å; V119-M455 HydrophobicContact CG2-CE 3.57Å; F434-M455 CarbonylContact C-O 3.53Å; F434-M455 WeakPolarHBondContact CA-O 3.39Å; F434-M455 WeakPolarHBondContact CB-O 3.46Å; F434-M455 HydrophobicContact CD1-CB 3.98Å; F434-M455 HydrophobicContact CD1-CG 3.69Å; F434-M455 HydrophobicContact CD1-SD 4.18Å; F434-M455 HydrophobicContact CE1-CG 3.9Å; F434-M455 HydrophobicContact CE1-SD 3.78Å; G435-M455 PolarHBondContact N-O 3.3Å
456	S	97.8	Very high	96.3	Very high	1 Å²	1	47 Å²	47	1%	0.007	24%	0.241	C	C	.	.			trans	-76.4	137.7	169.3	-178.9	0	0	0	0	110.8	G123 T436 W458 S459	G123-S456 PolarHBondContact O-OG 3.08Å; T436-S456 PolarHBondContact OG1-OG 3.16Å; S456-W458 PolarHBondContact O-N 3.45Å; S456-W458 PolarHBondContact OG-N 2.67Å; S456-S459 WeakPolarHBondContact O-CB 3.49Å; S456-S459 PolarHBondContact O-N 2.91Å
457	L	98.1	Very high	96.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-39.9	169.9	175.1	63.6	0	0	0	110.9	M424 L425 H428 F434 T436 F437 S459 W460 V461	M424-L457 HydrophobicContact SD-CD1 3.89Å; M424-L457 HydrophobicContact SD-CD2 3.94Å; M424-L457 HydrophobicContact SD-CG 4.34Å; L425-L457 HydrophobicContact CD2-CD2 4.24Å; H428-L457 HydrophobicContact CB-CD1 4.38Å; H428-L457 HydrophobicContact CB-CD2 4.07Å; F434-L457 HydrophobicContact CB-CB 4.01Å; F434-L457 HydrophobicContact CD2-CB 4.06Å; F434-L457 HydrophobicContact CD2-CD1 3.37Å; F434-L457 HydrophobicContact CD2-CG 4.33Å; F434-L457 HydrophobicContact CE2-CD1 3.58Å; F434-L457 HydrophobicContact CG-CB 4.1Å; F434-L457 HydrophobicContact CG-CD1 4.24Å; T436-L457 HydrophobicContact CG2-CB 4.27Å; T436-L457 WeakPolarHBondContact OG1-CB 3.37Å; T436-L457 PolarHBondContact OG1-N 2.82Å; F437-L457 HydrophobicContact CD2-CD2 4.42Å; F437-L457 HydrophobicContact CE2-CD2 3.68Å; L457-S459 VanDerWaalsContact C-N 3.26Å; L457-S459 PolarHBondContact O-N 3.36Å; L457-W460 HydrophobicContact CD1-CE3 3.73Å; L457-W460 HydrophobicContact CD1-CZ3 4.05Å; L457-W460 PolarHBondContact O-N 3.09Å; L457-V461 HydrophobicContact CD1-CG2 3.75Å; L457-V461 HydrophobicContact CG-CG2 3.82Å; L457-V461 WeakPolarHBondContact O-CG2 3.47Å; L457-V461 PolarHBondContact O-N 3.34Å
458	W	97.8	Very high	96.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-27.9	-176.9	-41.7	131.2	0	0	0	112.6	F127 E362 I365 E366 L425 T436 F437 S456 W460 N462	F127-W458 HydrophobicContact CE2-CB 4.3Å; F127-W458 AromaticContact CE2-CD1 3.91Å; F127-W458 HydrophobicContact CE2-CG 4.04Å; E362-W458 HydrophobicContact CB-CD2 4.32Å; E362-W458 HydrophobicContact CB-CE3 4.26Å; E362-W458 HydrophobicContact CB-CZ3 4.43Å; E362-W458 HydrophobicContact CG-CD2 4.14Å; E362-W458 HydrophobicContact CG-CE3 3.61Å; E362-W458 HydrophobicContact CG-CH2 4.36Å; E362-W458 HydrophobicContact CG-CZ3 3.75Å; I365-W458 HydrophobicContact CB-CZ2 4.47Å; I365-W458 HydrophobicContact CD1-CH2 4.25Å; I365-W458 HydrophobicContact CG2-CH2 4.37Å; I365-W458 HydrophobicContact CG2-CZ2 4.1Å; E366-W458 PolarHBondContact OE1-NE1 2.74Å; L425-W458 HydrophobicContact CD2-CH2 3.58Å; L425-W458 HydrophobicContact CD2-CZ3 3.74Å; T436-W458 HydrophobicContact CG2-CZ2 3.79Å; F437-W458 HydrophobicContact CZ-CH2 4.31Å; S456-W458 PolarHBondContact O-N 3.45Å; S456-W458 PolarHBondContact OG-N 2.67Å; W458-W460 PolarHBondContact O-N 2.9Å; W458-N462 VanDerWaalsContact O-CB 3.28Å; W458-N462 WeakPolarHBondContact O-CB 3.25Å; W458-N462 PolarHBondContact O-N 3.37Å; W458-N462 PolarHBondContact O-ND2 2.99Å
459	S	97.1	Very high	96	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.028	24%	0.242	C	C	.	.	H	α-helix	trans	-64.6	-28.4	173.1	-76	0	0	0	0	112.9	E121 G123 S456 L457 Q463	E121-S459 VanDerWaalsContact O-CB 3.31Å; E121-S459 WeakPolarHBondContact O-CB 3.48Å; E121-S459 PolarHBondContact O-OG 3.08Å; G123-S459 PolarHBondContact N-OG 2.95Å; S456-S459 WeakPolarHBondContact O-CB 3.49Å; S456-S459 PolarHBondContact O-N 2.91Å; L457-S459 VanDerWaalsContact C-N 3.26Å; L457-S459 PolarHBondContact O-N 3.36Å; S459-Q463 PolarHBondContact O-NE2 2.83Å
460	W	96.8	Very high	96	Very high	43 Å²	43	41.4 Å²	41.4	16%	0.163	22%	0.221	C	C	.	.	H	α-helix	trans	-90.2	-48.6	177.9	170.4	73.2	0	0	0	111.9	F117 M424 H428 F434 L457 W458 N462 Q463 E466 F470	F117-W460 HydrophobicContact CE1-CB 4.31Å; F117-W460 AromaticContact CE1-CD1 3.8Å; F117-W460 HydrophobicContact CE1-CG 4.42Å; F117-W460 HydrophobicContact CZ-CB 3.79Å; F117-W460 HydrophobicContact CZ-CG 4.32Å; M424-W460 HydrophobicContact CG-CZ3 4.1Å; M424-W460 HydrophobicContact SD-CZ3 4.33Å; H428-W460 AromaticContact NE2-CZ3 3.87Å; F434-W460 HydrophobicContact CE1-CB 3.7Å; F434-W460 HydrophobicContact CE1-CG 4.21Å; F434-W460 HydrophobicContact CE2-CB 4.21Å; F434-W460 AromaticContact CE2-CD2 3.95Å; F434-W460 HydrophobicContact CE2-CD2 3.95Å; F434-W460 AromaticContact CE2-CE3 3.73Å; F434-W460 HydrophobicContact CE2-CE3 3.73Å; F434-W460 HydrophobicContact CE2-CG 4.17Å; F434-W460 HydrophobicContact CE2-CZ3 4.45Å; F434-W460 HydrophobicContact CZ-CB 3.37Å; F434-W460 AromaticContact CZ-CD2 3.7Å; F434-W460 HydrophobicContact CZ-CD2 3.7Å; F434-W460 AromaticContact CZ-CE3 3.96Å; F434-W460 HydrophobicContact CZ-CE3 3.96Å; F434-W460 AromaticContact CZ-CG 3.44Å; F434-W460 HydrophobicContact CZ-CG 3.44Å; F434-W460 VanDerWaalsContact CZ-CG 3.44Å; L457-W460 HydrophobicContact CD1-CE3 3.73Å; L457-W460 HydrophobicContact CD1-CZ3 4.05Å; L457-W460 PolarHBondContact O-N 3.09Å; W458-W460 PolarHBondContact O-N 2.9Å; W460-N462 PolarHBondContact O-N 2.98Å; W460-Q463 VanDerWaalsContact O-CB 3.3Å; W460-Q463 WeakPolarHBondContact O-CB 3.41Å; W460-Q463 VanDerWaalsContact O-CG 3.23Å; W460-Q463 WeakPolarHBondContact O-CG 3.39Å; W460-Q463 PolarHBondContact O-N 2.99Å; W460-Q463 VanDerWaalsContact O-N 3.08Å; W460-E466 HydrophobicContact CD2-CG 4.47Å; W460-E466 HydrophobicContact CZ2-CG 3.92Å; W460-E466 WeakPolarHBondContact CZ2-OE2 3.41Å; W460-F470 HydrophobicContact CH2-CZ 4.25Å; W460-F470 HydrophobicContact CZ3-CZ 4.49Å
461	V	96.1	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-39.1	-179	168.6	0	0	0	0	111.9	E362 F421 M424 L457 Q463 L467 F470	E362-V461 WeakPolarHBondContact OE1-CG1 3.19Å; F421-V461 HydrophobicContact CE2-CG1 3.91Å; M424-V461 HydrophobicContact CE-CG1 4.32Å; M424-V461 HydrophobicContact CE-CG2 3.54Å; M424-V461 HydrophobicContact SD-CG2 4.05Å; L457-V461 HydrophobicContact CD1-CG2 3.75Å; L457-V461 HydrophobicContact CG-CG2 3.82Å; L457-V461 WeakPolarHBondContact O-CG2 3.47Å; L457-V461 PolarHBondContact O-N 3.34Å; V461-Q463 PolarHBondContact O-N 2.85Å; V461-L467 WeakPolarHBondContact O-CA 3.41Å; V461-L467 PolarHBondContact O-N 3.02Å; V461-F470 HydrophobicContact CG1-CD2 4.09Å; V461-F470 HydrophobicContact CG1-CE2 4.27Å
462	N	95.9	Very high	96	Very high	14 Å²	14	40.9 Å²	40.9	8%	0.075	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	5.7	-176.1	-70.4	-56.1	0	0	0	114.4	R359 E362 W458 W460	R359-N462 WeakPolarHBondContact CD-OD1 3.31Å; R359-N462 PolarHBondContact NE-OD1 2.74Å; R359-N462 PolarHBondContact NH1-ND2 3.22Å; E362-N462 PolarHBondContact OE1-ND2 3.05Å; E362-N462 PolarHBondContact OE1-OD1 2.84Å; E362-N462 PolarHBondContact OE2-ND2 3.49Å; W458-N462 VanDerWaalsContact O-CB 3.28Å; W458-N462 WeakPolarHBondContact O-CB 3.25Å; W458-N462 PolarHBondContact O-N 3.37Å; W458-N462 PolarHBondContact O-ND2 2.99Å; W460-N462 PolarHBondContact O-N 2.98Å
463	Q	94.8	Very high	95.8	Very high	26 Å²	26	35.8 Å²	35.8	12%	0.121	20%	0.201	C	C	.	.	S	Bend	trans	-65	137.1	167.8	-64.7	-58.1	-40.9	0	0	109.6	F117 S459 W460 V461 G465 E466 L467	F117-Q463 HydrophobicContact CD2-CG 4.09Å; F117-Q463 HydrophobicContact CE2-CG 4.08Å; S459-Q463 PolarHBondContact O-NE2 2.83Å; W460-Q463 VanDerWaalsContact O-CB 3.3Å; W460-Q463 WeakPolarHBondContact O-CB 3.41Å; W460-Q463 VanDerWaalsContact O-CG 3.23Å; W460-Q463 WeakPolarHBondContact O-CG 3.39Å; W460-Q463 PolarHBondContact O-N 2.99Å; W460-Q463 VanDerWaalsContact O-N 3.08Å; V461-Q463 PolarHBondContact O-N 2.85Å; Q463-G465 VanDerWaalsContact C-N 3.25Å; Q463-G465 PolarHBondContact O-N 3.12Å; Q463-G465 VanDerWaalsContact O-N 3.08Å; Q463-E466 HydrophobicContact CB-CG 4.45Å; Q463-E466 PolarHBondContact O-N 3.27Å; Q463-L467 WeakPolarHBondContact O-CB 3.32Å; Q463-L467 PolarHBondContact O-N 2.85Å
464	P	93.2	Very high	95.6	Very high	91 Å²	91	33.5 Å²	33.5	59%	0.591	19%	0.193	S	C	*	.	H	α-helix	trans	-51.9	-39.6	-174	-30.1	35	0	0	0	114.9	S468	P464-S468 PolarHBondContact O-N 3.03Å; P464-S468 PolarHBondContact O-OG 2.81Å
465	G	91.8	Very high	95.5	Very high	46 Å²	46	35.9 Å²	35.9	47%	0.474	20%	0.202	S	C	.	.	H	α-helix	trans	-75.8	-23.1	-179.7	0	0	0	0	0	115	Q463 S468 K469	Q463-G465 VanDerWaalsContact C-N 3.25Å; Q463-G465 PolarHBondContact O-N 3.12Å; Q463-G465 VanDerWaalsContact O-N 3.08Å; G465-S468 PolarHBondContact O-OG 2.95Å; G465-K469 WeakPolarHBondContact O-CE 3.48Å
466	E	94.1	Very high	95.4	Very high	43 Å²	43	41.4 Å²	41.4	20%	0.201	23%	0.228	C	C	.	.	H	α-helix	trans	-87.9	-43.5	173.9	-63.8	-54.7	139.2	0	0	110.5	W460 Q463 S468 K469 F470	W460-E466 HydrophobicContact CD2-CG 4.47Å; W460-E466 HydrophobicContact CZ2-CG 3.92Å; W460-E466 WeakPolarHBondContact CZ2-OE2 3.41Å; Q463-E466 HydrophobicContact CB-CG 4.45Å; Q463-E466 PolarHBondContact O-N 3.27Å; E466-S468 PolarHBondContact O-N 3.32Å; E466-K469 WeakPolarHBondContact O-CB 3.43Å; E466-K469 PolarHBondContact O-N 2.97Å; E466-K469 IonicContact OE1-NZ 2.98Å; E466-K469 PolarHBondContact OE1-NZ 2.87Å; E466-K469 IonicContact OE2-NZ 3.7Å; E466-K469 PolarHBondContact OE2-NZ 2.8Å; E466-F470 HydrophobicContact CB-CE2 4.33Å; E466-F470 WeakPolarHBondContact O-CD2 3.47Å
467	L	95.3	Very high	95.2	Very high	46 Å²	46	45.2 Å²	45.2	24%	0.241	26%	0.26	C	S	.	.	H	α-helix	trans	-54.7	-41.4	179	-171.8	67.6	0	0	0	111.8	I358 V461 Q463 K469 F470 T471	I358-L467 HydrophobicContact CB-CD1 4.45Å; I358-L467 HydrophobicContact CD1-CD1 3.64Å; I358-L467 HydrophobicContact CD1-CG 4.43Å; I358-L467 HydrophobicContact CG2-CD1 3.81Å; V461-L467 WeakPolarHBondContact O-CA 3.41Å; V461-L467 PolarHBondContact O-N 3.02Å; Q463-L467 WeakPolarHBondContact O-CB 3.32Å; Q463-L467 PolarHBondContact O-N 2.85Å; L467-K469 PolarHBondContact O-N 2.85Å; L467-F470 PolarHBondContact O-N 2.81Å; L467-T471 PolarHBondContact O-N 2.87Å; L467-T471 VanDerWaalsContact O-N 3.11Å; L467-T471 PolarHBondContact O-OG1 2.87Å; L467-T471 VanDerWaalsContact O-OG1 3.07Å
468	S	94.3	Very high	95	Very high	78 Å²	78	47.2 Å²	47.2	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-59.9	-28.9	177.8	60.4	0	0	0	0	113.8	P464 G465 E466 F470	P464-S468 PolarHBondContact O-N 3.03Å; P464-S468 PolarHBondContact O-OG 2.81Å; G465-S468 PolarHBondContact O-OG 2.95Å; E466-S468 PolarHBondContact O-N 3.32Å; S468-F470 VanDerWaalsContact C-N 3.27Å; S468-F470 PolarHBondContact O-N 3.49Å
469	K	94.6	Very high	94.8	Very high	110 Å²	110	52.8 Å²	52.8	48%	0.478	30%	0.3	S	S	.	.	H	α-helix	trans	-73.7	-21.9	177.7	-56.1	175.8	-169.4	163.4	0	112.4	N418 G465 E466 L467	N418-K469 PolarHBondContact ND2-O 3.11Å; G465-K469 WeakPolarHBondContact O-CE 3.48Å; E466-K469 WeakPolarHBondContact O-CB 3.43Å; E466-K469 PolarHBondContact O-N 2.97Å; E466-K469 IonicContact OE1-NZ 2.98Å; E466-K469 PolarHBondContact OE1-NZ 2.87Å; E466-K469 IonicContact OE2-NZ 3.7Å; E466-K469 PolarHBondContact OE2-NZ 2.8Å; L467-K469 PolarHBondContact O-N 2.85Å
470	F	97.1	Very high	94.8	Very high	13 Å²	13	58.2 Å²	58.2	6%	0.057	33%	0.328	C	S	.	.	H	α-helix	trans	-99.4	-15.2	-178	-59.3	-49.4	0	0	0	112.9	F417 N418 N420 F421 M424 W460 V461 E466 L467 S468	F417-F470 CarbonylContact C-O 3.52Å; F417-F470 WeakPolarHBondContact CA-O 3.24Å; N418-F470 VanDerWaalsContact CG-O 3.23Å; N418-F470 PolarHBondContact N-O 3.12Å; N418-F470 PolarHBondContact OD1-O 3.35Å; N420-F470 HydrophobicContact CB-CD1 4.33Å; F421-F470 HydrophobicContact CB-CB 4Å; F421-F470 HydrophobicContact CB-CD1 3.97Å; F421-F470 HydrophobicContact CB-CG 4.2Å; F421-F470 HydrophobicContact CD2-CB 3.93Å; F421-F470 HydrophobicContact CD2-CD1 4.23Å; F421-F470 HydrophobicContact CD2-CD2 4.27Å; F421-F470 AromaticContact CD2-CG 3.87Å; F421-F470 HydrophobicContact CD2-CG 3.87Å; F421-F470 HydrophobicContact CG-CB 4.33Å; M424-F470 HydrophobicContact CB-CE1 3.94Å; M424-F470 HydrophobicContact CB-CZ 4.17Å; M424-F470 HydrophobicContact CE-CZ 4.44Å; M424-F470 HydrophobicContact CG-CE1 4.14Å; M424-F470 HydrophobicContact CG-CZ 3.84Å; W460-F470 HydrophobicContact CH2-CZ 4.25Å; W460-F470 HydrophobicContact CZ3-CZ 4.49Å; V461-F470 HydrophobicContact CG1-CD2 4.09Å; V461-F470 HydrophobicContact CG1-CE2 4.27Å; E466-F470 HydrophobicContact CB-CE2 4.33Å; E466-F470 WeakPolarHBondContact O-CD2 3.47Å; L467-F470 PolarHBondContact O-N 2.81Å; S468-F470 VanDerWaalsContact C-N 3.27Å; S468-F470 PolarHBondContact O-N 3.49Å
471	T	96.5	Very high	94.9	Very high	52 Å²	52	57 Å²	57	32%	0.319	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-70.8	132.2	178.5	-57.9	0	0	0	0	111.6	E416 L467	E416-T471 CarbonylContact O-C 3.59Å; E416-T471 WeakPolarHBondContact O-CA 3.35Å; L467-T471 PolarHBondContact O-N 2.87Å; L467-T471 VanDerWaalsContact O-N 3.11Å; L467-T471 PolarHBondContact O-OG1 2.87Å; L467-T471 VanDerWaalsContact O-OG1 3.07Å
472	N	95.7	Very high	95	Very high	13 Å²	13	57.2 Å²	57.2	7%	0.07	33%	0.327	C	S	.	.			trans	-83.2	116.6	172.1	176.6	15.3	0	0	0	110	P412 F415 E416 N418 L474 F475	P412-N472 PolarHBondContact O-ND2 2.9Å; F415-N472 WeakPolarHBondContact O-CB 3.34Å; F415-N472 PolarHBondContact O-ND2 3.37Å; E416-N472 WeakPolarHBondContact O-CB 3.32Å; E416-N472 PolarHBondContact O-N 2.83Å; N418-N472 HydrophobicContact CB-CB 4.34Å; N472-L474 PolarHBondContact O-N 3.35Å; N472-L474 WeakPolarHBondContact OD1-CB 3.47Å; N472-L474 PolarHBondContact OD1-N 3.32Å; N472-F475 HydrophobicContact CB-CB 4.42Å; N472-F475 VanDerWaalsContact O-CB 3.32Å; N472-F475 WeakPolarHBondContact O-CB 3.35Å; N472-F475 PolarHBondContact O-N 2.7Å; N472-F475 VanDerWaalsContact O-N 3.13Å
473	P	92.6	Very high	95.1	Very high	26 Å²	26	60.3 Å²	60.3	17%	0.169	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.7	-178.9	31.9	-39.9	0	0	0	112.9	F475 Y512 M515 V516 I519	P473-F475 VanDerWaalsContact C-N 3.3Å; P473-Y512 WeakPolarHBondContact CD-OH 3.49Å; P473-M515 HydrophobicContact CG-CE 3.86Å; P473-V516 HydrophobicContact CB-CG2 4.44Å; P473-V516 HydrophobicContact CG-CG2 3.96Å; P473-I519 HydrophobicContact CB-CD1 3.73Å; P473-I519 HydrophobicContact CB-CG2 4.38Å; P473-I519 HydrophobicContact CG-CD1 3.89Å
474	L	93.8	Very high	95.2	Very high	59 Å²	59	59.6 Å²	59.6	31%	0.309	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.9	177.1	-63.5	173.6	0	0	0	113.5	C413 N472 E476 M515 I519	C413-L474 VanDerWaalsContact CA-O 3.31Å; C413-L474 WeakPolarHBondContact CA-O 3.48Å; C413-L474 VanDerWaalsContact CB-O 3.24Å; C413-L474 WeakPolarHBondContact CB-O 3.47Å; N472-L474 PolarHBondContact O-N 3.35Å; N472-L474 WeakPolarHBondContact OD1-CB 3.47Å; N472-L474 PolarHBondContact OD1-N 3.32Å; L474-E476 PolarHBondContact O-N 2.98Å; L474-M515 HydrophobicContact CD1-CE 4.39Å; L474-M515 HydrophobicContact CD1-SD 3.77Å; L474-M515 HydrophobicContact CD2-SD 4.38Å; L474-M515 HydrophobicContact CG-CE 4.49Å; L474-M515 HydrophobicContact CG-SD 4.11Å; L474-I519 HydrophobicContact CD2-CD1 3.48Å; L474-I519 VanDerWaalsContact CD2-CD1 3.48Å; L474-I519 HydrophobicContact CD2-CG1 4.35Å; L474-I519 HydrophobicContact CG-CD1 4.01Å
475	F	96	Very high	95.5	Very high	64 Å²	64	57.3 Å²	57.3	28%	0.281	32%	0.321	S	S	.	.			trans	-62.2	126.6	-174	176.8	-123.2	0	0	0	112.4	T357 C413 F415 E416 N472 P473	T357-F475 HydrophobicContact CG2-CZ 4.41Å; C413-F475 WeakPolarHBondContact O-CA 3.42Å; C413-F475 WeakPolarHBondContact O-CD2 3.49Å; F415-F475 WeakPolarHBondContact O-CD2 3.48Å; E416-F475 VanDerWaalsContact CA-CG 3.49Å; E416-F475 HydrophobicContact CB-CD1 3.86Å; E416-F475 HydrophobicContact CB-CD2 4.16Å; E416-F475 HydrophobicContact CB-CE1 3.89Å; E416-F475 HydrophobicContact CB-CE2 4.18Å; E416-F475 HydrophobicContact CB-CG 3.99Å; E416-F475 HydrophobicContact CB-CZ 4.04Å; E416-F475 HydrophobicContact CG-CD1 3.89Å; E416-F475 HydrophobicContact CG-CE1 4.05Å; E416-F475 HydrophobicContact CG-CG 4.38Å; E416-F475 VanDerWaalsContact N-CD2 3.28Å; N472-F475 HydrophobicContact CB-CB 4.42Å; N472-F475 VanDerWaalsContact O-CB 3.32Å; N472-F475 WeakPolarHBondContact O-CB 3.35Å; N472-F475 PolarHBondContact O-N 2.7Å; N472-F475 VanDerWaalsContact O-N 3.13Å; P473-F475 VanDerWaalsContact C-N 3.3Å
476	E	94	Very high	95.7	Very high	140 Å²	140	57 Å²	57	65%	0.654	31%	0.31	S	S	*	.			trans	-129.5	130.8	171.2	-67.2	-176.4	-179.8	0	0	108.9	C413 L474 N478	C413-E476 HydrophobicContact CB-CB 4.39Å; C413-E476 PolarHBondContact O-N 3.45Å; C413-E476 VanDerWaalsContact O-O 3.06Å; L474-E476 PolarHBondContact O-N 2.98Å; E476-N478 PolarHBondContact O-N 3.5Å
477	A	93.1	Very high	95.8	Very high	82 Å²	82	56.6 Å²	56.6	68%	0.678	31%	0.314	S	S	*	.			trans	-61.7	102.5	-178	0	0	0	0	0	111.2
478	N	94.5	Very high	95.8	Very high	42 Å²	42	58.6 Å²	58.6	23%	0.225	33%	0.33	C	S	.	.			trans	-102.2	108.2	179	-179.7	1.4	0	0	0	110.6	R356 S414 E476 L480	R356-N478 PolarHBondContact NH1-O 2.9Å; R356-N478 PolarHBondContact NH2-O 3.31Å; S414-N478 PolarHBondContact OG-ND2 2.98Å; E476-N478 PolarHBondContact O-N 3.5Å; N478-L480 VanDerWaalsContact C-N 3.29Å; N478-L480 PolarHBondContact O-N 3.24Å; N478-L480 VanDerWaalsContact OD1-CB 3.28Å; N478-L480 WeakPolarHBondContact OD1-CB 3.39Å; N478-L480 PolarHBondContact OD1-N 3.44Å
479	N	94.3	Very high	95.9	Very high	117 Å²	117	62.9 Å²	62.9	63%	0.626	34%	0.341	S	S	*	.			trans	-84.3	1.4	-179.1	-67.5	-40	0	0	0	114.6	P353	P353-N479 HydrophobicContact CG-CB 4.4Å
480	L	96.6	Very high	96	Very high	117 Å²	117	59.2 Å²	59.2	61%	0.613	33%	0.329	S	S	*	.	S	Bend	trans	-87.7	155.2	-178.8	-55.4	178.3	0	0	0	111.7	R356 N478	R356-L480 PolarHBondContact NH2-O 3.25Å; N478-L480 VanDerWaalsContact C-N 3.29Å; N478-L480 PolarHBondContact O-N 3.24Å; N478-L480 VanDerWaalsContact OD1-CB 3.28Å; N478-L480 WeakPolarHBondContact OD1-CB 3.39Å; N478-L480 PolarHBondContact OD1-N 3.44Å
481	V	98.1	Very high	96	Very high	19 Å²	19	59 Å²	59	12%	0.115	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-69	128.3	167.1	-178.3	0	0	0	0	108.1	I350 L351 W483	I350-V481 HydrophobicContact CG2-CG1 3.77Å; I350-V481 WeakPolarHBondContact O-CA 3.46Å; I350-V481 WeakPolarHBondContact O-CG1 3.3Å; L351-V481 HydrophobicContact CD2-CG1 4.17Å; L351-V481 HydrophobicContact CD2-CG2 4.39Å; V481-W483 HydrophobicContact CB-CZ2 4.49Å; V481-W483 HydrophobicContact CG1-CD2 4.27Å; V481-W483 HydrophobicContact CG1-CH2 4.23Å; V481-W483 HydrophobicContact CG1-CZ2 3.52Å
482	I	97.9	Very high	96.1	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-103.2	117.6	-177.4	53.4	169.1	0	0	0	110.5	I350 R356 I407 F411 F415 P484	I350-I482 VanDerWaalsContact CG2-O 3.3Å; I350-I482 WeakPolarHBondContact CG2-O 3.35Å; I350-I482 PolarHBondContact O-N 3.16Å; R356-I482 VanDerWaalsContact NH1-CG2 3.32Å; I407-I482 HydrophobicContact CG2-CD1 3.58Å; I407-I482 HydrophobicContact CG2-CG1 4.43Å; F411-I482 HydrophobicContact CB-CD1 4.4Å; F411-I482 HydrophobicContact CD1-CB 4.06Å; F411-I482 HydrophobicContact CD1-CG2 3.83Å; F411-I482 HydrophobicContact CD2-CB 3.96Å; F411-I482 HydrophobicContact CD2-CD1 4.02Å; F411-I482 HydrophobicContact CD2-CG1 4.47Å; F411-I482 HydrophobicContact CE1-CB 3.96Å; F411-I482 HydrophobicContact CE1-CG2 4.01Å; F411-I482 HydrophobicContact CE2-CB 3.87Å; F411-I482 HydrophobicContact CG-CB 4.06Å; F411-I482 HydrophobicContact CG-CD1 4.23Å; F411-I482 HydrophobicContact CG-CG2 4.1Å; F411-I482 HydrophobicContact CZ-CB 3.87Å; F411-I482 HydrophobicContact CZ-CG2 4.44Å; F415-I482 HydrophobicContact CE2-CD1 3.89Å; F415-I482 HydrophobicContact CZ-CD1 4Å; I482-P484 WeakPolarHBondContact O-CD 3.4Å
483	W	98.2	Very high	96.2	Very high	79 Å²	79	58.6 Å²	58.6	30%	0.299	33%	0.327	S	S	.	.			trans	-100.6	96.1	-175.1	-63.4	95.8	0	0	0	110.4	A319 Q320 D323 R324 I350 V481	A319-W483 HydrophobicContact CB-CH2 3.93Å; A319-W483 HydrophobicContact CB-CZ3 3.83Å; Q320-W483 HydrophobicContact CB-CH2 4.11Å; Q320-W483 HydrophobicContact CB-CZ3 4.05Å; D323-W483 HydrophobicContact CB-CH2 4.44Å; D323-W483 HydrophobicContact CB-CZ2 4.2Å; R324-W483 HydrophobicContact CG-CH2 4.27Å; R324-W483 HydrophobicContact CG-CZ2 4.02Å; I350-W483 HydrophobicContact CG2-CE3 4.47Å; I350-W483 HydrophobicContact CG2-CZ3 4.45Å; V481-W483 HydrophobicContact CB-CZ2 4.49Å; V481-W483 HydrophobicContact CG1-CD2 4.27Å; V481-W483 HydrophobicContact CG1-CH2 4.23Å; V481-W483 HydrophobicContact CG1-CZ2 3.52Å
484	P	98.1	Very high	96.4	Very high	10 Å²	10	57.3 Å²	57.3	7%	0.065	32%	0.319	C	S	.	.			trans	-68.2	142.2	179.3	30.8	-37	0	0	0	110.8	I350 I407 F411 I482 V486	I350-P484 HydrophobicContact CD1-CG 4.22Å; I350-P484 HydrophobicContact CG1-CG 4.4Å; I407-P484 HydrophobicContact CD1-CG 4.37Å; I407-P484 HydrophobicContact CG1-CB 4Å; I407-P484 HydrophobicContact CG1-CG 3.97Å; F411-P484 HydrophobicContact CE2-CB 4.27Å; I482-P484 WeakPolarHBondContact O-CD 3.4Å; P484-V486 PolarHBondContact O-N 3.29Å
485	S	98.3	Very high	96.4	Very high	44 Å²	44	58.6 Å²	58.6	31%	0.308	32%	0.323	S	S	.	.			trans	-66.7	127.9	165.3	178.7	0	0	0	0	109.6	Q410 A487 S490	Q410-S485 PolarHBondContact NE2-O 2.77Å; S485-A487 WeakPolarHBondContact OG-CB 3.4Å; S485-A487 PolarHBondContact OG-N 3.08Å; S485-S490 WeakPolarHBondContact CB-OG 3.39Å; S485-S490 WeakPolarHBondContact OG-CB 3.16Å; S485-S490 PolarHBondContact OG-OG 3.37Å
486	V	96.8	Very high	96.4	Very high	39 Å²	39	56.7 Å²	56.7	24%	0.236	32%	0.321	C	S	.	.			trans	-104.1	11.6	172.5	-58	0	0	0	0	112	L312 P484	L312-V486 HydrophobicContact CB-CG1 3.67Å; P484-V486 PolarHBondContact O-N 3.29Å
487	A	97	Very high	96.4	Very high	35 Å²	35	50 Å²	50	29%	0.289	29%	0.29	S	S	.	.	S	Bend	trans	-64.6	137.2	173.9	0	0	0	0	0	109.1	S485 Q489 S490	S485-A487 WeakPolarHBondContact OG-CB 3.4Å; S485-A487 PolarHBondContact OG-N 3.08Å; A487-Q489 PolarHBondContact O-N 3.04Å; A487-Q489 VanDerWaalsContact O-N 3.08Å; A487-S490 WeakPolarHBondContact O-CB 3.37Å; A487-S490 PolarHBondContact O-N 3.21Å
488	P	94.8	Very high	96.6	Very high	87 Å²	87	46.3 Å²	46.3	57%	0.565	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-52.6	-35	-178.9	-28.3	34.8	0	0	0	113.8	K309 S490 L491	K309-P488 HydrophobicContact CD-CG 4.16Å; P488-S490 PolarHBondContact O-N 3.04Å; P488-L491 PolarHBondContact O-N 3.38Å
489	Q	95.6	Very high	96.6	Very high	169 Å²	169	45.1 Å²	45.1	79%	0.79	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-66.6	-18.3	178.5	-55.9	86.1	-12.9	0	0	113.5	A487	A487-Q489 PolarHBondContact O-N 3.04Å; A487-Q489 VanDerWaalsContact O-N 3.08Å
490	S	96.8	Very high	96.5	Very high	33 Å²	33	41.6 Å²	41.6	23%	0.231	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-91.7	-9.2	-179.7	-56.7	0	0	0	0	113.4	R409 S485 A487 P488 P492	R409-S490 PolarHBondContact NH1-O 2.86Å; R409-S490 VanDerWaalsContact NH1-O 3.11Å; S485-S490 WeakPolarHBondContact CB-OG 3.39Å; S485-S490 WeakPolarHBondContact OG-CB 3.16Å; S485-S490 PolarHBondContact OG-OG 3.37Å; A487-S490 WeakPolarHBondContact O-CB 3.37Å; A487-S490 PolarHBondContact O-N 3.21Å; P488-S490 PolarHBondContact O-N 3.04Å; S490-P492 WeakPolarHBondContact O-CD 3.47Å
491	L	97.7	Very high	96.3	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	21%	0.212	C	C	.	.			trans	-110.9	83.9	-170.7	-58.5	177	0	0	0	111.2	I308 K309 L312 Q406 P488	I308-L491 HydrophobicContact CG2-CD2 4.48Å; K309-L491 HydrophobicContact CB-CD1 3.67Å; K309-L491 HydrophobicContact CG-CD1 4.35Å; L312-L491 HydrophobicContact CD1-CD2 3.75Å; Q406-L491 HydrophobicContact CB-CD2 4.21Å; Q406-L491 HydrophobicContact CG-CD2 4.09Å; P488-L491 PolarHBondContact O-N 3.38Å
492	P	97.4	Very high	95.9	Very high	42 Å²	42	40.8 Å²	40.8	27%	0.273	22%	0.221	S	C	.	.			trans	-74.6	164.8	174	33.1	-38.3	0	0	0	112.2	W405 Q406 R409 S490	W405-P492 HydrophobicContact CH2-CG 3.85Å; W405-P492 HydrophobicContact CZ3-CG 3.98Å; Q406-P492 PolarHBondContact NE2-O 3.02Å; R409-P492 VanDerWaalsContact NH1-CD 3.33Å; S490-P492 WeakPolarHBondContact O-CD 3.47Å
493	L	97.8	Very high	95.4	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.079	25%	0.245	C	C	.	.			trans	-63.3	137.4	165.8	-179.7	65.9	0	0	0	110.1	L281 W295 L299 E495 F498 L499	L281-L493 HydrophobicContact CD1-CD1 3.88Å; L281-L493 HydrophobicContact CD2-CD1 4.09Å; W295-L493 HydrophobicContact CH2-CD2 3.65Å; W295-L493 HydrophobicContact CZ2-CD2 3.69Å; L299-L493 HydrophobicContact CD1-CD1 4.34Å; L493-E495 VanDerWaalsContact C-N 3.33Å; L493-E495 PolarHBondContact O-N 3.46Å; L493-F498 HydrophobicContact CD1-CB 4.24Å; L493-F498 HydrophobicContact CD1-CD2 3.63Å; L493-F498 HydrophobicContact CD1-CE2 4.34Å; L493-F498 HydrophobicContact CD1-CG 4.13Å; L493-F498 HydrophobicContact CD2-CB 4.48Å; L493-F498 HydrophobicContact CG-CB 4.48Å; L493-F498 HydrophobicContact CG-CD2 4.38Å; L493-L499 HydrophobicContact CD2-CD1 4.22Å; L493-L499 HydrophobicContact CD2-CG 4.29Å
494	W	97.7	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.			trans	-74.3	84.8	172.6	-172.1	5.2	0	0	0	111.1	L398 L401 D402 W405 E419 L422 I423 G496 I497 F498	L398-W494 HydrophobicContact CD1-CZ3 4.34Å; L401-W494 HydrophobicContact CB-CH2 4.23Å; L401-W494 HydrophobicContact CB-CZ3 4.02Å; D402-W494 HydrophobicContact CB-CE3 3.72Å; D402-W494 HydrophobicContact CB-CZ3 4.13Å; W405-W494 HydrophobicContact CB-CD2 3.99Å; W405-W494 HydrophobicContact CB-CE3 4.16Å; W405-W494 HydrophobicContact CB-CH2 4.31Å; W405-W494 HydrophobicContact CB-CZ2 4.13Å; W405-W494 HydrophobicContact CB-CZ3 4.31Å; W405-W494 AromaticContact CD1-CD1 3.77Å; W405-W494 AromaticContact CD1-CE2 3.56Å; W405-W494 AromaticContact CD1-NE1 3.33Å; W405-W494 VanDerWaalsContact CD1-NE1 3.33Å; W405-W494 HydrophobicContact CD2-CB 4.07Å; W405-W494 AromaticContact CD2-CD1 3.53Å; W405-W494 AromaticContact CD2-CD2 3.98Å; W405-W494 HydrophobicContact CD2-CD2 3.98Å; W405-W494 AromaticContact CD2-CG 3.6Å; W405-W494 HydrophobicContact CD2-CG 3.6Å; W405-W494 AromaticContact CD2-NE1 3.89Å; W405-W494 AromaticContact CE2-CD1 3.3Å; W405-W494 AromaticContact CE2-CG 3.86Å; W405-W494 AromaticContact CE2-NE1 3.7Å; W405-W494 HydrophobicContact CE3-CB 3.74Å; W405-W494 HydrophobicContact CE3-CD2 4.39Å; W405-W494 AromaticContact CE3-CG 3.82Å; W405-W494 HydrophobicContact CE3-CG 3.82Å; W405-W494 AromaticContact CG-CD1 3.84Å; W405-W494 AromaticContact CG-CD2 3.78Å; W405-W494 HydrophobicContact CG-CD2 3.78Å; W405-W494 AromaticContact CG-CE2 3.62Å; W405-W494 HydrophobicContact CG-CE3 4.43Å; W405-W494 AromaticContact CG-CG 3.93Å; W405-W494 HydrophobicContact CG-CG 3.93Å; W405-W494 HydrophobicContact CG-CZ2 4.15Å; W405-W494 AromaticContact CG-NE1 3.69Å; W405-W494 HydrophobicContact CH2-CB 4.23Å; W405-W494 HydrophobicContact CH2-CG 4.49Å; W405-W494 AromaticContact CZ2-CD1 3.72Å; W405-W494 HydrophobicContact CZ2-CG 4.31Å; W405-W494 HydrophobicContact CZ3-CB 3.84Å; W405-W494 HydrophobicContact CZ3-CG 4.26Å; W405-W494 AromaticContact NE1-CD1 3.44Å; W405-W494 AromaticContact NE1-NE1 3.32Å; E419-W494 VanDerWaalsContact CD-NE1 3.34Å; E419-W494 HydrophobicContact CG-CZ2 4.16Å; E419-W494 PolarHBondContact OE1-NE1 2.97Å; L422-W494 HydrophobicContact CB-CH2 3.69Å; L422-W494 HydrophobicContact CB-CZ2 3.94Å; L422-W494 HydrophobicContact CD1-CH2 4.46Å; I423-W494 HydrophobicContact CG1-CZ2 3.99Å; W494-G496 VanDerWaalsContact C-N 3.29Å; W494-G496 PolarHBondContact O-N 3.24Å; W494-I497 HydrophobicContact CD2-CB 4Å; W494-I497 HydrophobicContact CD2-CG1 3.56Å; W494-I497 VanDerWaalsContact CE2-CG1 3.45Å; W494-I497 HydrophobicContact CE3-CB 4.25Å; W494-I497 HydrophobicContact CE3-CG1 3.71Å; W494-I497 HydrophobicContact CG-CB 4.22Å; W494-I497 HydrophobicContact CG-CG1 4.23Å; W494-I497 HydrophobicContact CH2-CD1 4.21Å; W494-I497 HydrophobicContact CH2-CG1 3.7Å; W494-I497 HydrophobicContact CZ2-CD1 4.3Å; W494-I497 HydrophobicContact CZ2-CG1 3.55Å; W494-I497 HydrophobicContact CZ3-CD1 4.47Å; W494-I497 HydrophobicContact CZ3-CG1 3.78Å; W494-I497 PolarHBondContact O-N 2.98Å; W494-F498 HydrophobicContact CB-CD2 4.16Å; W494-F498 HydrophobicContact CB-CE2 4.26Å; W494-F498 WeakPolarHBondContact O-CD2 3.38Å; W494-F498 PolarHBondContact O-N 3.36Å
495	E	94.9	Very high	94.2	Very high	86 Å²	86	49 Å²	49	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-36.7	-174.5	-56.9	-166.1	162.5	0	0	112.9	L493 I497 F498 L499 R500 R503	L493-E495 VanDerWaalsContact C-N 3.33Å; L493-E495 PolarHBondContact O-N 3.46Å; E495-I497 PolarHBondContact O-N 2.92Å; E495-I497 VanDerWaalsContact O-N 3.16Å; E495-F498 PolarHBondContact O-N 3.29Å; E495-L499 HydrophobicContact CB-CB 4.41Å; E495-L499 HydrophobicContact CB-CD1 4.24Å; E495-L499 HydrophobicContact CG-CD1 4.01Å; E495-L499 CarbonylContact O-C 3.53Å; E495-L499 WeakPolarHBondContact O-CA 3.43Å; E495-L499 WeakPolarHBondContact O-CB 3.32Å; E495-L499 PolarHBondContact O-N 3.23Å; E495-R500 PolarHBondContact O-N 2.94Å; E495-R503 VanDerWaalsContact CD-NH1 3.28Å; E495-R503 IonicContact OE1-NH1 3.92Å; E495-R503 PolarHBondContact OE1-NH1 3.41Å; E495-R503 IonicContact OE2-CZ 3.83Å; E495-R503 IonicContact OE2-NH1 3.06Å; E495-R503 PolarHBondContact OE2-NH1 2.89Å
496	G	94.2	Very high	93.6	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-11.6	-179.8	0	0	0	0	0	115.1	E419 W494 R500	E419-G496 WeakPolarHBondContact OE1-CA 3.31Å; W494-G496 VanDerWaalsContact C-N 3.29Å; W494-G496 PolarHBondContact O-N 3.24Å; G496-R500 WeakPolarHBondContact O-CB 3.37Å; G496-R500 VanDerWaalsContact O-CD 3.22Å; G496-R500 WeakPolarHBondContact O-CD 3.43Å
497	I	95.6	Very high	93.2	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-102	-56.4	167.2	-76.8	-81.6	0	0	0	110.5	F76 L398 I423 F426 W494 E495 R500	F76-I497 HydrophobicContact CD2-CG2 4.05Å; F76-I497 HydrophobicContact CE2-CG2 3.6Å; L398-I497 HydrophobicContact CD1-CG2 4.41Å; I423-I497 HydrophobicContact CB-CD1 4.32Å; I423-I497 HydrophobicContact CG1-CD1 3.84Å; I423-I497 HydrophobicContact CG1-CG1 4.1Å; I423-I497 HydrophobicContact CG2-CD1 4.28Å; F426-I497 HydrophobicContact CB-CD1 4.24Å; F426-I497 HydrophobicContact CD1-CD1 3.48Å; F426-I497 VanDerWaalsContact CD1-CD1 3.48Å; F426-I497 HydrophobicContact CE1-CD1 4.05Å; F426-I497 HydrophobicContact CG-CD1 4.01Å; W494-I497 HydrophobicContact CD2-CB 4Å; W494-I497 HydrophobicContact CD2-CG1 3.56Å; W494-I497 VanDerWaalsContact CE2-CG1 3.45Å; W494-I497 HydrophobicContact CE3-CB 4.25Å; W494-I497 HydrophobicContact CE3-CG1 3.71Å; W494-I497 HydrophobicContact CG-CB 4.22Å; W494-I497 HydrophobicContact CG-CG1 4.23Å; W494-I497 HydrophobicContact CH2-CD1 4.21Å; W494-I497 HydrophobicContact CH2-CG1 3.7Å; W494-I497 HydrophobicContact CZ2-CD1 4.3Å; W494-I497 HydrophobicContact CZ2-CG1 3.55Å; W494-I497 HydrophobicContact CZ3-CD1 4.47Å; W494-I497 HydrophobicContact CZ3-CG1 3.78Å; W494-I497 PolarHBondContact O-N 2.98Å; E495-I497 PolarHBondContact O-N 2.92Å; E495-I497 VanDerWaalsContact O-N 3.16Å; I497-R500 WeakPolarHBondContact O-CG 3.33Å
498	F	97.1	Very high	92.6	Very high	5 Å²	5	63.2 Å²	63.2	2%	0.022	32%	0.319	C	S	.	.	H	α-helix	trans	-84.2	-20.6	-164.1	-66	-68.3	0	0	0	114	F76 L278 L281 V282 C285 W304 L398 L493 W494 E495	F76-F498 HydrophobicContact CD2-CD1 4.33Å; F76-F498 AromaticContact CE2-CD1 3.96Å; F76-F498 HydrophobicContact CE2-CD1 3.96Å; F76-F498 AromaticContact CE2-CE1 3.81Å; F76-F498 HydrophobicContact CE2-CE1 3.81Å; F76-F498 HydrophobicContact CZ-CE1 4.1Å; L278-F498 HydrophobicContact CD1-CE1 3.82Å; L281-F498 HydrophobicContact CD2-CD1 3.66Å; L281-F498 HydrophobicContact CD2-CD2 4.03Å; L281-F498 HydrophobicContact CD2-CE1 3.53Å; L281-F498 HydrophobicContact CD2-CE2 3.9Å; L281-F498 HydrophobicContact CD2-CG 3.92Å; L281-F498 HydrophobicContact CD2-CZ 3.66Å; L281-F498 HydrophobicContact CG-CD1 4.19Å; L281-F498 HydrophobicContact CG-CE1 4.41Å; L281-F498 HydrophobicContact CG-CG 4.49Å; V282-F498 HydrophobicContact CG2-CD1 4.49Å; C285-F498 WeakPolarHBondContact CB-O 3.36Å; W304-F498 HydrophobicContact CD2-CZ 4.41Å; W304-F498 AromaticContact CE2-CE2 3.97Å; W304-F498 AromaticContact CE2-CZ 3.63Å; W304-F498 HydrophobicContact CH2-CZ 4.08Å; W304-F498 HydrophobicContact CZ2-CE1 4.45Å; W304-F498 HydrophobicContact CZ2-CE2 4.1Å; W304-F498 AromaticContact CZ2-CZ 3.46Å; W304-F498 HydrophobicContact CZ2-CZ 3.46Å; W304-F498 VanDerWaalsContact CZ2-CZ 3.46Å; W304-F498 AromaticContact NE1-CE2 3.72Å; W304-F498 AromaticContact NE1-CZ 3.88Å; L398-F498 HydrophobicContact CD2-CE1 4.34Å; L398-F498 HydrophobicContact CD2-CZ 4.19Å; L493-F498 HydrophobicContact CD1-CB 4.24Å; L493-F498 HydrophobicContact CD1-CD2 3.63Å; L493-F498 HydrophobicContact CD1-CE2 4.34Å; L493-F498 HydrophobicContact CD1-CG 4.13Å; L493-F498 HydrophobicContact CD2-CB 4.48Å; L493-F498 HydrophobicContact CG-CB 4.48Å; L493-F498 HydrophobicContact CG-CD2 4.38Å; W494-F498 HydrophobicContact CB-CD2 4.16Å; W494-F498 HydrophobicContact CB-CE2 4.26Å; W494-F498 WeakPolarHBondContact O-CD2 3.38Å; W494-F498 PolarHBondContact O-N 3.36Å; E495-F498 PolarHBondContact O-N 3.29Å
499	L	94.1	Very high	92.2	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.089	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	1.8	-179.4	-60	-179.9	0	0	0	113.3	C285 W295 L493 E495 W501 N502 R503	C285-L499 HydrophobicContact CB-CD2 3.82Å; W295-L499 HydrophobicContact CH2-CD2 4.25Å; L493-L499 HydrophobicContact CD2-CD1 4.22Å; L493-L499 HydrophobicContact CD2-CG 4.29Å; E495-L499 HydrophobicContact CB-CB 4.41Å; E495-L499 HydrophobicContact CB-CD1 4.24Å; E495-L499 HydrophobicContact CG-CD1 4.01Å; E495-L499 CarbonylContact O-C 3.53Å; E495-L499 WeakPolarHBondContact O-CA 3.43Å; E495-L499 WeakPolarHBondContact O-CB 3.32Å; E495-L499 PolarHBondContact O-N 3.23Å; L499-W501 PolarHBondContact O-N 3.11Å; L499-W501 VanDerWaalsContact O-N 3.12Å; L499-N502 HydrophobicContact CD2-CB 4.43Å; L499-N502 CarbonylContact O-C 3.5Å; L499-N502 WeakPolarHBondContact O-CA 3.37Å; L499-N502 PolarHBondContact O-N 3.44Å; L499-R503 PolarHBondContact O-N 3.15Å
500	R	92.8	Very high	92	Very high	43 Å²	43	59 Å²	59	16%	0.162	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.9	-177	72.8	-170.9	-178.9	153.7	3.9	114.9	D75 E427 E495 G496 I497	D75-R500 PolarHBondContact O-NH2 3.4Å; E427-R500 IonicContact OE1-CZ 3.95Å; E427-R500 IonicContact OE1-NH1 2.78Å; E427-R500 PolarHBondContact OE1-NH1 2.98Å; E427-R500 IonicContact OE1-NH2 2.7Å; E427-R500 PolarHBondContact OE1-NH2 2.93Å; E495-R500 PolarHBondContact O-N 2.94Å; G496-R500 WeakPolarHBondContact O-CB 3.37Å; G496-R500 VanDerWaalsContact O-CD 3.22Å; G496-R500 WeakPolarHBondContact O-CD 3.43Å; I497-R500 WeakPolarHBondContact O-CG 3.33Å
501	W	92.6	Very high	91.6	Very high	60 Å²	60	60.3 Å²	60.3	23%	0.227	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-3.1	175.6	-53.4	122.5	0	0	0	113.1	P20 F21 D75 F76 R77 L499	P20-W501 WeakPolarHBondContact CB-O 3.35Å; P20-W501 HydrophobicContact CG-CB 4.39Å; F21-W501 VanDerWaalsContact CE2-C 3.47Å; F21-W501 WeakPolarHBondContact CE2-O 3.28Å; F21-W501 WeakPolarHBondContact CZ-O 3.44Å; D75-W501 PolarHBondContact O-NE1 3.37Å; F76-W501 VanDerWaalsContact C-CD1 3.5Å; R77-W501 HydrophobicContact CB-CD2 4.07Å; R77-W501 HydrophobicContact CB-CG 4.28Å; R77-W501 HydrophobicContact CB-CZ2 4.1Å; R77-W501 HydrophobicContact CG-CD2 4Å; R77-W501 HydrophobicContact CG-CE3 4.25Å; R77-W501 HydrophobicContact CG-CG 4.44Å; R77-W501 HydrophobicContact CG-CZ2 4.29Å; L499-W501 PolarHBondContact O-N 3.11Å; L499-W501 VanDerWaalsContact O-N 3.12Å
502	N	89.4	Confident	91.1	Very high	58 Å²	58	63.8 Å²	63.8	31%	0.31	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-21.3	-173.1	-58.7	60.6	0	0	0	111.6	C285 N286 L499	C285-N502 PolarHBondContact O-ND2 3.24Å; N286-N502 PolarHBondContact OD1-ND2 2.99Å; L499-N502 HydrophobicContact CD2-CB 4.43Å; L499-N502 CarbonylContact O-C 3.5Å; L499-N502 WeakPolarHBondContact O-CA 3.37Å; L499-N502 PolarHBondContact O-N 3.44Å
503	R	87	Confident	90.8	Very high	137 Å²	137	67.7 Å²	67.7	52%	0.517	33%	0.334	S	S	.	.	S	Bend	trans	-131.4	137.1	172.8	-63.3	176.2	64.6	-161.3	-8	109.8	F21 E495 L499	F21-R503 VanDerWaalsContact CZ-C 3.44Å; E495-R503 VanDerWaalsContact CD-NH1 3.28Å; E495-R503 IonicContact OE1-NH1 3.92Å; E495-R503 PolarHBondContact OE1-NH1 3.41Å; E495-R503 IonicContact OE2-CZ 3.83Å; E495-R503 IonicContact OE2-NH1 3.06Å; E495-R503 PolarHBondContact OE2-NH1 2.89Å; L499-R503 PolarHBondContact O-N 3.15Å
504	S	85.9	Confident	90.5	Very high	72 Å²	72	72 Å²	72	50%	0.503	35%	0.354	S	S	.	.			trans	-67.8	133.7	173.6	178.8	0	0	0	0	110.5	K506	S504-K506 VanDerWaalsContact C-N 3.28Å; S504-K506 WeakPolarHBondContact OG-CB 3.46Å; S504-K506 PolarHBondContact OG-N 3.28Å
505	S	84.9	Confident	90.2	Very high	58 Å²	58	74.6 Å²	74.6	41%	0.406	37%	0.367	S	S	.	.			trans	-79.4	-7	175.3	56.9	0	0	0	0	113.6	Y507 L508 D509	S505-Y507 VanDerWaalsContact C-N 3.32Å; S505-Y507 PolarHBondContact O-N 3.09Å; S505-L508 WeakPolarHBondContact O-CA 3.41Å; S505-L508 WeakPolarHBondContact O-CB 3.34Å; S505-L508 PolarHBondContact O-N 2.91Å; S505-D509 VanDerWaalsContact CB-OD2 3.23Å; S505-D509 WeakPolarHBondContact CB-OD2 3.07Å; S505-D509 PolarHBondContact O-N 2.93Å; S505-D509 PolarHBondContact OG-OD2 2.89Å
506	K	86.4	Confident	90	Very high	114 Å²	114	72 Å²	72	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-42.4	-51.5	-169.6	178.3	176.6	173.9	176.2	0	114.6	S504 D509 E510	S504-K506 VanDerWaalsContact C-N 3.28Å; S504-K506 WeakPolarHBondContact OG-CB 3.46Å; S504-K506 PolarHBondContact OG-N 3.28Å; K506-D509 PolarHBondContact O-N 3.25Å; K506-E510 WeakPolarHBondContact CE-OE1 3.45Å; K506-E510 IonicContact NZ-OE1 3.57Å; K506-E510 WeakPolarHBondContact O-CB 3.43Å; K506-E510 VanDerWaalsContact O-CG 3.31Å; K506-E510 WeakPolarHBondContact O-CG 3.37Å; K506-E510 PolarHBondContact O-N 3.34Å
507	Y	86.8	Confident	89.9	Confident	179 Å²	179	75 Å²	75	70%	0.702	37%	0.367	S	S	*	.	H	α-helix	trans	-72.4	-28.8	-178	-62.4	-62.5	0	0	0	113.7	S505 A511	S505-Y507 VanDerWaalsContact C-N 3.32Å; S505-Y507 PolarHBondContact O-N 3.09Å; Y507-A511 VanDerWaalsContact O-CB 3.31Å; Y507-A511 WeakPolarHBondContact O-CB 3.4Å; Y507-A511 PolarHBondContact O-N 2.98Å; Y507-A511 VanDerWaalsContact O-N 3.09Å
508	L	85.4	Confident	89.8	Confident	123 Å²	123	78.9 Å²	78.9	64%	0.644	39%	0.387	S	S	*	.	H	α-helix	trans	-71.9	-39.6	173.5	-65.9	172.3	0	0	0	110.2	S505 A511 Y512	S505-L508 WeakPolarHBondContact O-CA 3.41Å; S505-L508 WeakPolarHBondContact O-CB 3.34Å; S505-L508 PolarHBondContact O-N 2.91Å; L508-A511 PolarHBondContact O-N 2.96Å; L508-Y512 WeakPolarHBondContact O-CB 3.35Å; L508-Y512 PolarHBondContact O-N 3.32Å
509	D	86.4	Confident	89.4	Confident	78 Å²	78	79.9 Å²	79.9	42%	0.417	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-47.8	176.8	-57.5	-28.5	0	0	0	110.4	S505 K506 A511 Y512 E513	S505-D509 VanDerWaalsContact CB-OD2 3.23Å; S505-D509 WeakPolarHBondContact CB-OD2 3.07Å; S505-D509 PolarHBondContact O-N 2.93Å; S505-D509 PolarHBondContact OG-OD2 2.89Å; K506-D509 PolarHBondContact O-N 3.25Å; D509-A511 VanDerWaalsContact C-N 3.32Å; D509-A511 PolarHBondContact O-N 3.48Å; D509-Y512 WeakPolarHBondContact O-CB 3.46Å; D509-Y512 PolarHBondContact O-N 3.28Å; D509-Y512 VanDerWaalsContact O-N 3.12Å; D509-E513 WeakPolarHBondContact O-CG 3.47Å; D509-E513 PolarHBondContact O-N 2.96Å
510	E	90.4	Very high	89.2	Confident	89 Å²	89	84.2 Å²	84.2	42%	0.416	41%	0.412	S	S	.	.	H	α-helix	trans	-57.3	-42.9	174	-74.5	171.2	-174.9	0	0	111.9	K506 E514	K506-E510 WeakPolarHBondContact CE-OE1 3.45Å; K506-E510 IonicContact NZ-OE1 3.57Å; K506-E510 WeakPolarHBondContact O-CB 3.43Å; K506-E510 VanDerWaalsContact O-CG 3.31Å; K506-E510 WeakPolarHBondContact O-CG 3.37Å; K506-E510 PolarHBondContact O-N 3.34Å; E510-E514 PolarHBondContact O-N 2.95Å
511	A	88.3	Confident	89.2	Confident	60 Å²	60	88.6 Å²	88.6	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-67.3	-36	177.2	0	0	0	0	0	112.5	Y507 L508 D509 M515	Y507-A511 VanDerWaalsContact O-CB 3.31Å; Y507-A511 WeakPolarHBondContact O-CB 3.4Å; Y507-A511 PolarHBondContact O-N 2.98Å; Y507-A511 VanDerWaalsContact O-N 3.09Å; L508-A511 PolarHBondContact O-N 2.96Å; D509-A511 VanDerWaalsContact C-N 3.32Å; D509-A511 PolarHBondContact O-N 3.48Å; A511-M515 WeakPolarHBondContact O-CB 3.24Å; A511-M515 PolarHBondContact O-N 3.37Å
512	Y	88.3	Confident	89.2	Confident	80 Å²	80	89.4 Å²	89.4	31%	0.314	44%	0.439	S	S	.	.	H	α-helix	trans	-68.4	-44.5	176.6	-176.2	-93.7	0	0	0	111.5	N418 P473 L508 D509 E514 M515 V516	N418-Y512 PolarHBondContact ND2-OH 3.36Å; P473-Y512 WeakPolarHBondContact CD-OH 3.49Å; L508-Y512 WeakPolarHBondContact O-CB 3.35Å; L508-Y512 PolarHBondContact O-N 3.32Å; D509-Y512 WeakPolarHBondContact O-CB 3.46Å; D509-Y512 PolarHBondContact O-N 3.28Å; D509-Y512 VanDerWaalsContact O-N 3.12Å; Y512-E514 VanDerWaalsContact C-N 3.35Å; Y512-E514 PolarHBondContact O-N 2.97Å; Y512-M515 HydrophobicContact CD2-CE 3.45Å; Y512-M515 VanDerWaalsContact CD2-CE 3.45Å; Y512-M515 HydrophobicContact CE2-CE 3.46Å; Y512-M515 VanDerWaalsContact CE2-CE 3.46Å; Y512-M515 HydrophobicContact CG-CE 4.3Å; Y512-M515 WeakPolarHBondContact O-CB 3.39Å; Y512-M515 PolarHBondContact O-N 3.5Å; Y512-V516 HydrophobicContact CD1-CG2 4.13Å; Y512-V516 HydrophobicContact CE1-CG2 3.79Å; Y512-V516 WeakPolarHBondContact O-CG2 3.5Å; Y512-V516 PolarHBondContact O-N 2.94Å
513	E	90.4	Very high	89.1	Confident	124 Å²	124	92.3 Å²	92.3	58%	0.579	45%	0.448	S	S	*	.	H	α-helix	trans	-58.9	-46	175	-73.6	178.7	-178.9	0	0	111.3	D509 M515 V516 N517	D509-E513 WeakPolarHBondContact O-CG 3.47Å; D509-E513 PolarHBondContact O-N 2.96Å; E513-M515 VanDerWaalsContact C-N 3.33Å; E513-M515 PolarHBondContact O-N 3.08Å; E513-V516 WeakPolarHBondContact O-CB 3.4Å; E513-V516 PolarHBondContact O-N 2.96Å; E513-N517 VanDerWaalsContact O-CG 3.25Å; E513-N517 PolarHBondContact O-N 3.35Å; E513-N517 PolarHBondContact O-ND2 3.32Å
514	E	92.1	Very high	89.4	Confident	107 Å²	107	90.9 Å²	90.9	50%	0.5	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-39.2	177.5	-174.8	58.8	-165.2	0	0	112.1	E510 Y512 V516 N517 I518	E510-E514 PolarHBondContact O-N 2.95Å; Y512-E514 VanDerWaalsContact C-N 3.35Å; Y512-E514 PolarHBondContact O-N 2.97Å; E514-V516 VanDerWaalsContact C-N 3.34Å; E514-V516 PolarHBondContact O-N 3.45Å; E514-N517 PolarHBondContact O-N 3.43Å; E514-I518 HydrophobicContact CG-CD1 4.04Å; E514-I518 VanDerWaalsContact O-CG1 3.27Å; E514-I518 WeakPolarHBondContact O-CG1 3.43Å; E514-I518 PolarHBondContact O-N 3.44Å
515	M	91	Very high	89.8	Confident	54 Å²	54	90.6 Å²	90.6	27%	0.266	44%	0.44	S	S	.	.	H	α-helix	trans	-59.8	-44.3	173.2	176.1	-173.1	76	0	0	111.6	P473 L474 A511 Y512 E513 I518 I519	P473-M515 HydrophobicContact CG-CE 3.86Å; L474-M515 HydrophobicContact CD1-CE 4.39Å; L474-M515 HydrophobicContact CD1-SD 3.77Å; L474-M515 HydrophobicContact CD2-SD 4.38Å; L474-M515 HydrophobicContact CG-CE 4.49Å; L474-M515 HydrophobicContact CG-SD 4.11Å; A511-M515 WeakPolarHBondContact O-CB 3.24Å; A511-M515 PolarHBondContact O-N 3.37Å; Y512-M515 HydrophobicContact CD2-CE 3.45Å; Y512-M515 VanDerWaalsContact CD2-CE 3.45Å; Y512-M515 HydrophobicContact CE2-CE 3.46Å; Y512-M515 VanDerWaalsContact CE2-CE 3.46Å; Y512-M515 HydrophobicContact CG-CE 4.3Å; Y512-M515 WeakPolarHBondContact O-CB 3.39Å; Y512-M515 PolarHBondContact O-N 3.5Å; E513-M515 VanDerWaalsContact C-N 3.33Å; E513-M515 PolarHBondContact O-N 3.08Å; M515-I518 PolarHBondContact O-N 2.91Å; M515-I519 HydrophobicContact CG-CD1 3.82Å; M515-I519 WeakPolarHBondContact O-CD1 3.37Å; M515-I519 VanDerWaalsContact O-CG1 3.24Å; M515-I519 WeakPolarHBondContact O-CG1 3.42Å; M515-I519 PolarHBondContact O-N 3.39Å
516	V	90.3	Very high	90.1	Very high	32 Å²	32	94 Å²	94	19%	0.194	45%	0.449	C	S	.	.	H	α-helix	trans	-59.2	-49.6	175.7	171.6	0	0	0	0	110.2	P473 Y512 E513 E514 I518 I519 E520	P473-V516 HydrophobicContact CB-CG2 4.44Å; P473-V516 HydrophobicContact CG-CG2 3.96Å; Y512-V516 HydrophobicContact CD1-CG2 4.13Å; Y512-V516 HydrophobicContact CE1-CG2 3.79Å; Y512-V516 WeakPolarHBondContact O-CG2 3.5Å; Y512-V516 PolarHBondContact O-N 2.94Å; E513-V516 WeakPolarHBondContact O-CB 3.4Å; E513-V516 PolarHBondContact O-N 2.96Å; E514-V516 VanDerWaalsContact C-N 3.34Å; E514-V516 PolarHBondContact O-N 3.45Å; V516-I518 VanDerWaalsContact C-N 3.33Å; V516-I518 PolarHBondContact O-N 2.76Å; V516-I519 PolarHBondContact O-N 2.82Å; V516-I519 VanDerWaalsContact O-N 3.11Å; V516-E520 HydrophobicContact CG1-CG 4.34Å; V516-E520 WeakPolarHBondContact O-CG 3.31Å; V516-E520 PolarHBondContact O-N 3.36Å
517	N	92.6	Very high	90.4	Very high	84 Å²	84	90.9 Å²	90.9	45%	0.449	45%	0.445	S	S	.	.	H	α-helix	trans	-56	-46.1	178.8	-67.5	-25	0	0	0	111.9	E513 E514 I519 E520 Y521	E513-N517 VanDerWaalsContact O-CG 3.25Å; E513-N517 PolarHBondContact O-N 3.35Å; E513-N517 PolarHBondContact O-ND2 3.32Å; E514-N517 PolarHBondContact O-N 3.43Å; N517-I519 VanDerWaalsContact C-N 3.34Å; N517-I519 PolarHBondContact O-N 2.94Å; N517-E520 PolarHBondContact O-N 3.18Å; N517-Y521 VanDerWaalsContact O-CB 3.26Å; N517-Y521 WeakPolarHBondContact O-CB 3.16Å; N517-Y521 PolarHBondContact O-N 3.45Å
518	I	93	Very high	90.8	Very high	83 Å²	83	87.6 Å²	87.6	43%	0.426	44%	0.435	S	S	.	.	H	α-helix	trans	-62	-42.4	178.5	-70	166.5	0	0	0	111.1	E514 M515 V516 N522	E514-I518 HydrophobicContact CG-CD1 4.04Å; E514-I518 VanDerWaalsContact O-CG1 3.27Å; E514-I518 WeakPolarHBondContact O-CG1 3.43Å; E514-I518 PolarHBondContact O-N 3.44Å; M515-I518 PolarHBondContact O-N 2.91Å; V516-I518 VanDerWaalsContact C-N 3.33Å; V516-I518 PolarHBondContact O-N 2.76Å; I518-N522 WeakPolarHBondContact O-CB 3.47Å; I518-N522 VanDerWaalsContact O-CG 3.27Å; I518-N522 PolarHBondContact O-N 3.31Å; I518-N522 PolarHBondContact O-ND2 3.11Å; I518-N522 VanDerWaalsContact O-ND2 3.09Å
519	I	89.2	Confident	91.2	Very high	26 Å²	26	84.8 Å²	84.8	13%	0.133	42%	0.423	C	S	.	.	H	α-helix	trans	-66.7	-45.7	-179.7	-69.3	163.4	0	0	0	110.8	P473 L474 M515 V516 N517 N522 K523	P473-I519 HydrophobicContact CB-CD1 3.73Å; P473-I519 HydrophobicContact CB-CG2 4.38Å; P473-I519 HydrophobicContact CG-CD1 3.89Å; L474-I519 HydrophobicContact CD2-CD1 3.48Å; L474-I519 VanDerWaalsContact CD2-CD1 3.48Å; L474-I519 HydrophobicContact CD2-CG1 4.35Å; L474-I519 HydrophobicContact CG-CD1 4.01Å; M515-I519 HydrophobicContact CG-CD1 3.82Å; M515-I519 WeakPolarHBondContact O-CD1 3.37Å; M515-I519 VanDerWaalsContact O-CG1 3.24Å; M515-I519 WeakPolarHBondContact O-CG1 3.42Å; M515-I519 PolarHBondContact O-N 3.39Å; V516-I519 PolarHBondContact O-N 2.82Å; V516-I519 VanDerWaalsContact O-N 3.11Å; N517-I519 VanDerWaalsContact C-N 3.34Å; N517-I519 PolarHBondContact O-N 2.94Å; I519-N522 PolarHBondContact O-N 3.34Å; I519-K523 HydrophobicContact CG2-CD 4.37Å; I519-K523 WeakPolarHBondContact O-CG 3.4Å; I519-K523 PolarHBondContact O-N 3.47Å
520	E	90	Very high	91.6	Very high	108 Å²	108	85.1 Å²	85.1	51%	0.505	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-46.5	177.9	-70.6	-173.8	163.9	0	0	111.3	V516 N517 N522 K523 E524	V516-E520 HydrophobicContact CG1-CG 4.34Å; V516-E520 WeakPolarHBondContact O-CG 3.31Å; V516-E520 PolarHBondContact O-N 3.36Å; N517-E520 PolarHBondContact O-N 3.18Å; E520-N522 VanDerWaalsContact C-N 3.31Å; E520-N522 PolarHBondContact O-N 2.93Å; E520-K523 WeakPolarHBondContact O-CB 3.36Å; E520-K523 PolarHBondContact O-N 2.94Å; E520-K523 VanDerWaalsContact O-N 3.08Å; E520-E524 PolarHBondContact O-N 3.06Å
521	Y	92.7	Very high	91.8	Very high	134 Å²	134	85.3 Å²	85.3	53%	0.525	43%	0.427	S	S	.	.	H	α-helix	trans	-59.3	-41.3	175.8	-175.4	-114.1	0	0	0	112.3	N517 K523 E524 L525	N517-Y521 VanDerWaalsContact O-CB 3.26Å; N517-Y521 WeakPolarHBondContact O-CB 3.16Å; N517-Y521 PolarHBondContact O-N 3.45Å; Y521-K523 PolarHBondContact O-N 3.41Å; Y521-E524 PolarHBondContact O-N 3.09Å; Y521-L525 HydrophobicContact CD1-CD1 3.93Å; Y521-L525 HydrophobicContact CD1-CG 4.48Å; Y521-L525 HydrophobicContact CE1-CD1 3.5Å; Y521-L525 VanDerWaalsContact CE1-CD1 3.5Å; Y521-L525 HydrophobicContact CE1-CG 4.16Å; Y521-L525 HydrophobicContact CE2-CG 4.48Å; Y521-L525 WeakPolarHBondContact O-CG 3.23Å; Y521-L525 PolarHBondContact O-N 2.88Å
522	N	91.9	Very high	92.1	Very high	77 Å²	77	87.5 Å²	87.5	41%	0.412	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-39.9	174.4	-79.8	-36.3	0	0	0	112.5	I518 I519 E520 E524 L525 Q526	I518-N522 WeakPolarHBondContact O-CB 3.47Å; I518-N522 VanDerWaalsContact O-CG 3.27Å; I518-N522 PolarHBondContact O-N 3.31Å; I518-N522 PolarHBondContact O-ND2 3.11Å; I518-N522 VanDerWaalsContact O-ND2 3.09Å; I519-N522 PolarHBondContact O-N 3.34Å; E520-N522 VanDerWaalsContact C-N 3.31Å; E520-N522 PolarHBondContact O-N 2.93Å; N522-E524 VanDerWaalsContact C-N 3.34Å; N522-L525 PolarHBondContact O-N 3.36Å; N522-Q526 WeakPolarHBondContact O-CG 3.39Å; N522-Q526 PolarHBondContact O-N 3.12Å
523	K	89.2	Confident	92.3	Very high	119 Å²	119	91.8 Å²	91.8	52%	0.517	45%	0.446	S	S	.	.	H	α-helix	trans	-61.9	-42.6	175	-73.9	173.5	-179	172.2	0	111.2	I519 E520 Y521 Q526 A527	I519-K523 HydrophobicContact CG2-CD 4.37Å; I519-K523 WeakPolarHBondContact O-CG 3.4Å; I519-K523 PolarHBondContact O-N 3.47Å; E520-K523 WeakPolarHBondContact O-CB 3.36Å; E520-K523 PolarHBondContact O-N 2.94Å; E520-K523 VanDerWaalsContact O-N 3.08Å; Y521-K523 PolarHBondContact O-N 3.41Å; K523-Q526 PolarHBondContact O-N 3.48Å; K523-A527 PolarHBondContact O-N 3.25Å
524	E	92.9	Very high	92.4	Very high	108 Å²	108	94.4 Å²	94.4	51%	0.505	45%	0.45	S	S	.	.	H	α-helix	trans	-62.4	-44.3	175.3	-69.5	-173.3	179.6	0	0	112.5	E520 Y521 N522 A527 K528	E520-E524 PolarHBondContact O-N 3.06Å; Y521-E524 PolarHBondContact O-N 3.09Å; N522-E524 VanDerWaalsContact C-N 3.34Å; E524-A527 PolarHBondContact O-N 2.88Å; E524-K528 WeakPolarHBondContact O-CG 3.35Å; E524-K528 PolarHBondContact O-N 3.48Å
525	L	93.7	Very high	92.5	Very high	66 Å²	66	93.8 Å²	93.8	35%	0.346	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-43	177	-72.8	178	0	0	0	111.6	Y521 N522 A527 K528 V529	Y521-L525 HydrophobicContact CD1-CD1 3.93Å; Y521-L525 HydrophobicContact CD1-CG 4.48Å; Y521-L525 HydrophobicContact CE1-CD1 3.5Å; Y521-L525 VanDerWaalsContact CE1-CD1 3.5Å; Y521-L525 HydrophobicContact CE1-CG 4.16Å; Y521-L525 HydrophobicContact CE2-CG 4.48Å; Y521-L525 WeakPolarHBondContact O-CG 3.23Å; Y521-L525 PolarHBondContact O-N 2.88Å; N522-L525 PolarHBondContact O-N 3.36Å; L525-A527 VanDerWaalsContact C-N 3.34Å; L525-A527 PolarHBondContact O-N 3.02Å; L525-K528 PolarHBondContact O-N 2.93Å; L525-V529 WeakPolarHBondContact O-CG2 3.33Å; L525-V529 PolarHBondContact O-N 2.88Å
526	Q	91.6	Very high	92.5	Very high	128 Å²	128	95.9 Å²	95.9	60%	0.598	46%	0.459	S	S	*	.	H	α-helix	trans	-61.7	-41.8	175	-73.5	177.3	-0.1	0	0	112	N522 K523 V529 N530	N522-Q526 WeakPolarHBondContact O-CG 3.39Å; N522-Q526 PolarHBondContact O-N 3.12Å; K523-Q526 PolarHBondContact O-N 3.48Å; Q526-V529 PolarHBondContact O-N 3.11Å; Q526-N530 WeakPolarHBondContact O-CB 3.27Å; Q526-N530 VanDerWaalsContact O-CG 3.28Å; Q526-N530 PolarHBondContact O-N 3.43Å; Q526-N530 PolarHBondContact O-ND2 2.92Å
527	A	92.8	Very high	92.6	Very high	49 Å²	49	96.6 Å²	96.6	41%	0.405	47%	0.469	S	S	.	.	H	α-helix	trans	-61.4	-45.2	175.1	0	0	0	0	0	111.6	K523 E524 L525 N530 I531	K523-A527 PolarHBondContact O-N 3.25Å; E524-A527 PolarHBondContact O-N 2.88Å; L525-A527 VanDerWaalsContact C-N 3.34Å; L525-A527 PolarHBondContact O-N 3.02Å; A527-N530 PolarHBondContact O-N 2.8Å; A527-I531 WeakPolarHBondContact O-CG1 3.47Å; A527-I531 PolarHBondContact O-N 3.37Å
528	K	94.3	Very high	92.5	Very high	110 Å²	110	98.2 Å²	98.2	48%	0.478	47%	0.473	S	S	.	.	H	α-helix	trans	-60.4	-45.6	175.4	-72.7	169.9	-175.8	164.7	0	111.9	E524 L525 N530 I531 L532	E524-K528 WeakPolarHBondContact O-CG 3.35Å; E524-K528 PolarHBondContact O-N 3.48Å; L525-K528 PolarHBondContact O-N 2.93Å; K528-N530 VanDerWaalsContact C-N 3.31Å; K528-N530 PolarHBondContact O-N 2.85Å; K528-I531 PolarHBondContact O-N 2.81Å; K528-L532 WeakPolarHBondContact O-CG 3.41Å; K528-L532 PolarHBondContact O-N 3.46Å
529	V	94.6	Very high	92.3	Very high	65 Å²	65	99.1 Å²	99.1	39%	0.394	48%	0.478	S	S	.	.	H	α-helix	trans	-59.6	-42.4	176.1	169	0	0	0	0	111.2	L525 Q526 L532 R533	L525-V529 WeakPolarHBondContact O-CG2 3.33Å; L525-V529 PolarHBondContact O-N 2.88Å; Q526-V529 PolarHBondContact O-N 3.11Å; V529-L532 PolarHBondContact O-N 3.41Å; V529-R533 HydrophobicContact CG1-CG 4.43Å; V529-R533 WeakPolarHBondContact O-CB 3.29Å; V529-R533 WeakPolarHBondContact O-CG 3.29Å; V529-R533 PolarHBondContact O-N 2.86Å
530	N	93.6	Very high	92.3	Very high	85 Å²	85	103.8 Å²	103.8	46%	0.455	50%	0.5	S	S	.	.	H	α-helix	trans	-66	-37.5	178.2	-72.6	-25.4	0	0	0	112.6	Q526 A527 K528 R534	Q526-N530 WeakPolarHBondContact O-CB 3.27Å; Q526-N530 VanDerWaalsContact O-CG 3.28Å; Q526-N530 PolarHBondContact O-N 3.43Å; Q526-N530 PolarHBondContact O-ND2 2.92Å; A527-N530 PolarHBondContact O-N 2.8Å; K528-N530 VanDerWaalsContact C-N 3.31Å; K528-N530 PolarHBondContact O-N 2.85Å; N530-R534 WeakPolarHBondContact O-CG 3.28Å; N530-R534 PolarHBondContact O-N 2.62Å; N530-R534 VanDerWaalsContact O-N 3.14Å
531	I	94.8	Very high	91.8	Very high	92 Å²	92	103.3 Å²	103.3	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-64.3	-49.3	173.9	-67.8	165	0	0	0	110.3	A527 K528 R533 R534 Q535	A527-I531 WeakPolarHBondContact O-CG1 3.47Å; A527-I531 PolarHBondContact O-N 3.37Å; K528-I531 PolarHBondContact O-N 2.81Å; I531-R533 VanDerWaalsContact C-N 3.31Å; I531-R533 PolarHBondContact O-N 3.03Å; I531-R534 WeakPolarHBondContact O-CB 3.35Å; I531-R534 PolarHBondContact O-N 2.78Å; I531-R534 VanDerWaalsContact O-N 3.11Å; I531-Q535 WeakPolarHBondContact O-CG 3.27Å; I531-Q535 PolarHBondContact O-N 2.77Å
532	L	94.8	Very high	90.9	Very high	107 Å²	107	102.6 Å²	102.6	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-37.8	179.5	-70	171.3	0	0	0	112.2	K528 V529 Q535 L536	K528-L532 WeakPolarHBondContact O-CG 3.41Å; K528-L532 PolarHBondContact O-N 3.46Å; V529-L532 PolarHBondContact O-N 3.41Å; L532-Q535 PolarHBondContact O-N 3.29Å; L532-L536 WeakPolarHBondContact O-CB 3.35Å; L532-L536 PolarHBondContact O-N 2.92Å
533	R	93.3	Very high	89.6	Confident	170 Å²	170	104 Å²	104	64%	0.642	51%	0.513	S	S	*	.	H	α-helix	trans	-63.7	-38.5	174	-78.5	177.4	175.8	178.1	-1.3	112.6	V529 I531 A537	V529-R533 HydrophobicContact CG1-CG 4.43Å; V529-R533 WeakPolarHBondContact O-CB 3.29Å; V529-R533 WeakPolarHBondContact O-CG 3.29Å; V529-R533 PolarHBondContact O-N 2.86Å; I531-R533 VanDerWaalsContact C-N 3.31Å; I531-R533 PolarHBondContact O-N 3.03Å; R533-A537 WeakPolarHBondContact O-CB 3.49Å; R533-A537 PolarHBondContact O-N 2.81Å; R533-A537 VanDerWaalsContact O-N 3.09Å
534	R	92.6	Very high	88.2	Confident	178 Å²	178	100.7 Å²	100.7	67%	0.672	51%	0.513	S	S	*	.	H	α-helix	trans	-66.1	-45.4	175	-73	175.2	-176.6	178.1	1.2	111.1	N530 I531 L536 A537 E538	N530-R534 WeakPolarHBondContact O-CG 3.28Å; N530-R534 PolarHBondContact O-N 2.62Å; N530-R534 VanDerWaalsContact O-N 3.14Å; I531-R534 WeakPolarHBondContact O-CB 3.35Å; I531-R534 PolarHBondContact O-N 2.78Å; I531-R534 VanDerWaalsContact O-N 3.11Å; R534-L536 PolarHBondContact O-N 3.37Å; R534-A537 PolarHBondContact O-N 3.29Å; R534-E538 WeakPolarHBondContact O-CG 3.46Å; R534-E538 PolarHBondContact O-N 3.13Å
535	Q	93.5	Very high	86.4	Confident	95 Å²	95	102.7 Å²	102.7	44%	0.444	52%	0.524	S	S	.	.	H	α-helix	trans	-61.6	-41.6	176.6	-71	177.3	-25	0	0	112.4	I531 L532 E538 L539	I531-Q535 WeakPolarHBondContact O-CG 3.27Å; I531-Q535 PolarHBondContact O-N 2.77Å; L532-Q535 PolarHBondContact O-N 3.29Å; Q535-E538 PolarHBondContact O-N 2.59Å; Q535-L539 WeakPolarHBondContact O-CG 3.26Å; Q535-L539 PolarHBondContact O-N 3.13Å
536	L	91.9	Very high	84.6	Confident	97 Å²	97	107.2 Å²	107.2	51%	0.508	54%	0.544	S	S	.	.	H	α-helix	trans	-62	-44.8	175.4	-178.3	63.8	0	0	0	111.4	L532 R534 E538 L539 E540	L532-L536 WeakPolarHBondContact O-CB 3.35Å; L532-L536 PolarHBondContact O-N 2.92Å; R534-L536 PolarHBondContact O-N 3.37Å; L536-E538 VanDerWaalsContact C-N 3.33Å; L536-E538 PolarHBondContact O-N 2.78Å; L536-L539 PolarHBondContact O-N 2.97Å; L536-E540 HydrophobicContact CD1-CG 4.43Å; L536-E540 HydrophobicContact CG-CG 4.49Å; L536-E540 WeakPolarHBondContact O-CG 3.31Å; L536-E540 PolarHBondContact O-N 2.9Å
537	A	91.3	Very high	82.7	Confident	48 Å²	48	109.4 Å²	109.4	40%	0.397	55%	0.554	S	S	.	*	H	α-helix	trans	-63.3	-37.6	178	0	0	0	0	0	112.6	R533 R534 T541	R533-A537 WeakPolarHBondContact O-CB 3.49Å; R533-A537 PolarHBondContact O-N 2.81Å; R533-A537 VanDerWaalsContact O-N 3.09Å; R534-A537 PolarHBondContact O-N 3.29Å; A537-T541 WeakPolarHBondContact O-CG2 3.31Å; A537-T541 PolarHBondContact O-N 2.8Å; A537-T541 VanDerWaalsContact O-N 3.15Å; A537-T541 PolarHBondContact O-OG1 3.36Å
538	E	90.9	Very high	80.6	Confident	117 Å²	117	111 Å²	111	55%	0.547	56%	0.562	S	S	.	*	H	α-helix	trans	-63	-46.9	174.3	-73.2	167	-175.1	0	0	111.2	R534 Q535 L536 T541 E542	R534-E538 WeakPolarHBondContact O-CG 3.46Å; R534-E538 PolarHBondContact O-N 3.13Å; Q535-E538 PolarHBondContact O-N 2.59Å; L536-E538 VanDerWaalsContact C-N 3.33Å; L536-E538 PolarHBondContact O-N 2.78Å; E538-T541 PolarHBondContact O-N 3.49Å; E538-T541 PolarHBondContact O-OG1 2.95Å; E538-E542 PolarHBondContact O-N 3.18Å; E538-E542 VanDerWaalsContact O-N 3.08Å
539	L	89.8	Confident	78.6	Confident	102 Å²	102	115.4 Å²	115.4	53%	0.534	60%	0.602	S	S	.	*	H	α-helix	trans	-64.3	-41.2	177.6	-70	170.2	0	0	0	112.7	Q535 L536 T541 E542 D543	Q535-L539 WeakPolarHBondContact O-CG 3.26Å; Q535-L539 PolarHBondContact O-N 3.13Å; L536-L539 PolarHBondContact O-N 2.97Å; L539-T541 VanDerWaalsContact C-N 3.26Å; L539-T541 PolarHBondContact O-N 3.24Å; L539-E542 PolarHBondContact O-N 2.95Å; L539-E542 VanDerWaalsContact O-N 3.16Å; L539-D543 PolarHBondContact O-N 3.09Å
540	E	87.3	Confident	77.8	Confident	125 Å²	125	117.9 Å²	117.9	58%	0.584	61%	0.612	S	S	*	*	H	α-helix	trans	-62.2	-33.5	175.7	-74.5	176.3	168.4	0	0	112.2	L536 G544	L536-E540 HydrophobicContact CD1-CG 4.43Å; L536-E540 HydrophobicContact CG-CG 4.49Å; L536-E540 WeakPolarHBondContact O-CG 3.31Å; L536-E540 PolarHBondContact O-N 2.9Å; E540-G544 PolarHBondContact O-N 3.36Å
541	T	81	Confident	77	Confident	97 Å²	97	119.6 Å²	119.6	60%	0.595	62%	0.62	S	S	*	*	H	α-helix	trans	-74.3	-30.2	174.1	51.1	0	0	0	0	113.7	A537 E538 L539	A537-T541 WeakPolarHBondContact O-CG2 3.31Å; A537-T541 PolarHBondContact O-N 2.8Å; A537-T541 VanDerWaalsContact O-N 3.15Å; A537-T541 PolarHBondContact O-OG1 3.36Å; E538-T541 PolarHBondContact O-N 3.49Å; E538-T541 PolarHBondContact O-OG1 2.95Å; L539-T541 VanDerWaalsContact C-N 3.26Å; L539-T541 PolarHBondContact O-N 3.24Å
542	E	74.4	Confident	76	Confident	120 Å²	120	121.2 Å²	121.2	56%	0.561	63%	0.629	S	S	*	*	H	α-helix	trans	-74.8	-41	176.6	-73.1	-178	172.2	0	0	112.1	E538 L539 M545 Q546	E538-E542 PolarHBondContact O-N 3.18Å; E538-E542 VanDerWaalsContact O-N 3.08Å; L539-E542 PolarHBondContact O-N 2.95Å; L539-E542 VanDerWaalsContact O-N 3.16Å; E542-M545 PolarHBondContact O-N 2.93Å; E542-Q546 PolarHBondContact O-N 3.05Å
543	D	63.6	Low	74.9	Confident	106 Å²	106	122 Å²	122	57%	0.567	63%	0.633	S	S	*	*	H	α-helix	trans	-65.7	-38.8	175.3	-89.4	-11.2	0	0	0	111.7	L539 M545 Q546 E547	L539-D543 PolarHBondContact O-N 3.09Å; D543-M545 PolarHBondContact O-N 3.36Å; D543-Q546 PolarHBondContact O-N 3.07Å; D543-E547 PolarHBondContact O-N 3.02Å
544	G	58.7	Low	73.7	Confident	50 Å²	50	119 Å²	119	52%	0.515	63%	0.632	S	S	.	*	H	α-helix	trans	-64.3	-20	175.6	0	0	0	0	0	114.6	E540	E540-G544 PolarHBondContact O-N 3.36Å
545	M	56.6	Low	72.5	Confident	150 Å²	150	115.1 Å²	115.1	74%	0.739	63%	0.629	S	S	*	*	H	α-helix	trans	-87	-17.3	173.1	-76.3	-169.4	57.2	0	0	113.5	E542 D543 S548	E542-M545 PolarHBondContact O-N 2.93Å; D543-M545 PolarHBondContact O-N 3.36Å; M545-S548 PolarHBondContact O-OG 2.94Å
546	Q	54.5	Low	71	Confident	161 Å²	161	116.5 Å²	116.5	75%	0.752	64%	0.643	S	S	*	*	H	α-helix	trans	-89.9	-18.1	176.4	-68	-173	8.8	0	0	113	E542 D543	E542-Q546 PolarHBondContact O-N 3.05Å; D543-Q546 PolarHBondContact O-N 3.07Å
547	E	53.3	Low	69.4	Low	174 Å²	174	118 Å²	118	81%	0.813	65%	0.653	S	S	*	*	S	Bend	trans	-92.3	3.7	177.6	-69.6	-164.2	155.3	0	0	115.1	D543 P549	D543-E547 PolarHBondContact O-N 3.02Å; E547-P549 WeakPolarHBondContact O-CD 2.85Å
548	S	48.5	Very low	67.5	Low	82 Å²	82	123.8 Å²	123.8	57%	0.573	67%	0.674	S	S	*	*			trans	-88.1	112.6	170.4	52.7	0	0	0	0	111.2	M545	M545-S548 PolarHBondContact O-OG 2.94Å
549	P	51.8	Low	65.4	Low	202 Å²	202	124.5 Å²	124.5	100%	1.312	69%	0.686	S	S	*	*			trans	-68.3	0	-179.1	-14.2	28.8	0	0	0	114.7	E547	E547-P549 WeakPolarHBondContact O-CD 2.85Å

Retrieved 549 of 549 residues in 4529.3 ms (Link to these results)

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