A0A087XWN3_POEFO Loading...

Myotubularin-related protein 9

AlphaFold DB , UniProt , Accession A0A087XWN3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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	53	Low	85.5	Confident	217 Å²	217	97.5 Å²	97.5	100%	1.069	49%	0.489	S	S	*	.				0	-38.1	0	-100.5	-179.6	-89.8	0	0	111.8	F3 A4	M1-F3 PolarHBondContact O-N 3.44Å; M1-A4 PolarHBondContact O-N 3.36Å
2	E	70.7	Confident	86.4	Confident	136 Å²	136	90.5 Å²	90.5	64%	0.636	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.2	-172.2	-68.4	178.2	158.7	0	0	116.9	L107	E2-L107 WeakPolarHBondContact OE2-CD2 3.39Å
3	F	84.5	Confident	87	Confident	27 Å²	27	89.7 Å²	89.7	12%	0.118	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-11.1	-178.7	-54.9	-70.6	0	0	0	114.6	M1 E5 L6 H34 L99 L102 L107 F112	M1-F3 PolarHBondContact O-N 3.44Å; F3-E5 VanDerWaalsContact C-N 3.27Å; F3-E5 PolarHBondContact O-N 2.98Å; F3-L6 PolarHBondContact O-N 3.46Å; F3-L6 VanDerWaalsContact O-N 3.11Å; F3-H34 AromaticContact CE2-CE1 3.69Å; F3-H34 AromaticContact CE2-NE2 3.92Å; F3-H34 AromaticContact CZ-CE1 3.95Å; F3-H34 AromaticContact CZ-NE2 3.69Å; F3-L99 HydrophobicContact CB-CD2 4.44Å; F3-L99 HydrophobicContact CD1-CD2 4.04Å; F3-L102 HydrophobicContact CD1-CD1 4.33Å; F3-L102 HydrophobicContact CE1-CD1 3.8Å; F3-L107 HydrophobicContact CE1-CB 4.12Å; F3-L107 HydrophobicContact CZ-CB 3.95Å; F3-L107 HydrophobicContact CZ-CD2 4.2Å; F3-L107 WeakPolarHBondContact CZ-O 3.19Å; F3-F112 HydrophobicContact CE2-CE2 4.46Å; F3-F112 HydrophobicContact CE2-CZ 4.13Å; F3-F112 HydrophobicContact CZ-CE2 4.41Å; F3-F112 HydrophobicContact CZ-CZ 4.37Å
4	A	81.1	Confident	87.5	Confident	69 Å²	69	85.2 Å²	85.2	57%	0.57	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-65.5	-33.6	-170.9	0	0	0	0	0	112	M1 L6 I7	M1-A4 PolarHBondContact O-N 3.36Å; A4-L6 PolarHBondContact O-N 3.07Å; A4-I7 PolarHBondContact O-N 3.45Å
5	E	87.8	Confident	88.1	Confident	178 Å²	178	79.5 Å²	79.5	83%	0.832	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.5	178.3	-61.3	-178.5	178	0	0	113	F3	F3-E5 VanDerWaalsContact C-N 3.27Å; F3-E5 PolarHBondContact O-N 2.98Å
6	L	91.1	Very high	88.6	Confident	57 Å²	57	76.8 Å²	76.8	30%	0.298	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-86.6	-15.2	178.9	-55.6	-179.7	0	0	0	112.5	F3 A4 S95 A98 L99 L102	F3-L6 PolarHBondContact O-N 3.46Å; F3-L6 VanDerWaalsContact O-N 3.11Å; A4-L6 PolarHBondContact O-N 3.07Å; L6-S95 WeakPolarHBondContact O-CA 3.5Å; L6-S95 WeakPolarHBondContact O-CB 3.38Å; L6-S95 PolarHBondContact O-OG 2.97Å; L6-A98 HydrophobicContact CB-CB 4.36Å; L6-A98 HydrophobicContact CD2-CB 4.26Å; L6-L99 HydrophobicContact CB-CD2 3.95Å; L6-L99 HydrophobicContact CB-CG 4.27Å; L6-L99 HydrophobicContact CD1-CD2 3.73Å; L6-L99 HydrophobicContact CG-CD2 4.5Å; L6-L102 HydrophobicContact CD1-CD2 3.86Å
7	I	94.9	Very high	89	Confident	30 Å²	30	72.3 Å²	72.3	15%	0.154	38%	0.375	C	S	.	.			trans	-103.6	101.7	-176.8	-60.2	169.6	0	0	0	109.1	A4 P10 L31 L99	A4-I7 PolarHBondContact O-N 3.45Å; I7-P10 HydrophobicContact CG2-CB 3.86Å; I7-L31 HydrophobicContact CG2-CB 4.12Å; I7-L99 HydrophobicContact CD1-CD1 4.35Å; I7-L99 HydrophobicContact CG1-CD1 3.86Å
8	K	94.7	Very high	89.3	Confident	120 Å²	120	71.6 Å²	71.6	52%	0.522	37%	0.37	S	S	.	.	S	Bend	trans	-76.8	-42.5	-179.1	-65.8	179.5	177.5	171.3	0	112.5	N91 S94 S95	K8-N91 HydrophobicContact CB-CB 3.77Å; K8-S94 PolarHBondContact NZ-OG 3.04Å; K8-S95 PolarHBondContact N-OG 2.82Å
9	T	93.5	Very high	89.5	Confident	24 Å²	24	69.6 Å²	69.6	15%	0.147	36%	0.357	C	S	.	.			trans	-126.5	107.4	175.2	-61.4	0	0	0	0	108	R11 V12 N91 I92	T9-R11 WeakPolarHBondContact CG2-O 3.48Å; T9-V12 HydrophobicContact CG2-CG2 3.54Å; T9-N91 WeakPolarHBondContact OG1-CB 3.42Å; T9-N91 PolarHBondContact OG1-ND2 3.48Å; T9-N91 VanDerWaalsContact OG1-ND2 3.16Å; T9-I92 HydrophobicContact CG2-CD1 4.19Å; T9-I92 WeakPolarHBondContact O-CD1 3.34Å
10	P	93.4	Very high	89.5	Confident	80 Å²	80	67.9 Å²	67.9	52%	0.519	35%	0.35	S	S	.	.			trans	-78.5	-22.6	-174.4	29.7	-34.9	0	0	0	113.1	I7 C30 L31	I7-P10 HydrophobicContact CG2-CB 3.86Å; P10-C30 WeakPolarHBondContact O-CA 3.06Å; P10-L31 PolarHBondContact O-N 3.48Å
11	R	95.5	Very high	89.4	Confident	135 Å²	135	70.2 Å²	70.2	51%	0.509	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	135.8	-173.6	-177.5	179.6	167.7	166.8	3.5	111.5	T9 D13 T28 L29	T9-R11 WeakPolarHBondContact CG2-O 3.48Å; R11-D13 IonicContact CZ-OD1 3.55Å; R11-D13 IonicContact NE-OD1 2.75Å; R11-D13 PolarHBondContact NE-OD1 3.16Å; R11-D13 IonicContact NH2-OD1 2.7Å; R11-D13 PolarHBondContact NH2-OD1 3.22Å; R11-D13 IonicContact NH2-OD2 3.91Å; R11-T28 HydrophobicContact CG-CG2 3.6Å; R11-T28 VanDerWaalsContact NE-CG2 3.3Å; R11-L29 CarbonylContact C-O 3.57Å; R11-L29 VanDerWaalsContact CA-O 3.28Å; R11-L29 WeakPolarHBondContact CA-O 3.3Å
12	V	96	Very high	91.1	Very high	13 Å²	13	64 Å²	64	8%	0.079	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	127.7	172.2	-174.4	0	0	0	0	108.9	T9 V15 T28 L29 I83 E88 I92	T9-V12 HydrophobicContact CG2-CG2 3.54Å; V12-V15 HydrophobicContact CB-CG2 3.98Å; V12-V15 HydrophobicContact CG1-CG2 3.83Å; V12-T28 CarbonylContact O-C 3.51Å; V12-T28 WeakPolarHBondContact O-CA 3.35Å; V12-L29 PolarHBondContact N-O 3.09Å; V12-L29 PolarHBondContact O-N 3.14Å; V12-I83 HydrophobicContact CG1-CG2 4.22Å; V12-E88 HydrophobicContact CG2-CB 4.21Å; V12-E88 HydrophobicContact CG2-CG 4.36Å; V12-I92 HydrophobicContact CG2-CD1 4.09Å; V12-I92 HydrophobicContact CG2-CG1 4.08Å
13	D	95.4	Very high	92	Very high	80 Å²	80	62.4 Å²	62.4	43%	0.428	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	156.8	174.2	-68.1	-45.5	0	0	0	110.5	R11 T28 R41	R11-D13 IonicContact CZ-OD1 3.55Å; R11-D13 IonicContact NE-OD1 2.75Å; R11-D13 PolarHBondContact NE-OD1 3.16Å; R11-D13 IonicContact NH2-OD1 2.7Å; R11-D13 PolarHBondContact NH2-OD1 3.22Å; R11-D13 IonicContact NH2-OD2 3.91Å; D13-T28 WeakPolarHBondContact OD1-CB 3.4Å; D13-T28 WeakPolarHBondContact OD1-CG2 3.41Å; D13-T28 PolarHBondContact OD1-OG1 3.42Å; D13-R41 IonicContact OD1-NH2 3.04Å; D13-R41 PolarHBondContact OD1-NH2 2.97Å; D13-R41 IonicContact OD2-NH2 3.64Å
14	G	94	Very high	92.4	Very high	27 Å²	27	65.3 Å²	65.3	28%	0.278	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.6	22.8	176.7	0	0	0	0	0	114	G27 P84	G14-G27 PolarHBondContact N-O 3.32Å; G14-P84 WeakPolarHBondContact O-CG 3.26Å
15	V	96.1	Very high	93	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.3	176.1	173.5	0	0	0	0	109.5	V12 E26 G27 L29 L38 L81 D82 I83	V12-V15 HydrophobicContact CB-CG2 3.98Å; V12-V15 HydrophobicContact CG1-CG2 3.83Å; V15-E26 CarbonylContact O-C 3.59Å; V15-E26 WeakPolarHBondContact O-CA 3.38Å; V15-G27 PolarHBondContact N-O 2.97Å; V15-G27 PolarHBondContact O-N 2.9Å; V15-L29 HydrophobicContact CB-CB 4.04Å; V15-L29 HydrophobicContact CG1-CB 4.2Å; V15-L29 HydrophobicContact CG1-CD2 4.48Å; V15-L29 HydrophobicContact CG2-CB 3.71Å; V15-L29 HydrophobicContact CG2-CD2 4.43Å; V15-L38 HydrophobicContact CB-CD1 3.99Å; V15-L38 HydrophobicContact CG1-CD1 3.58Å; V15-L81 HydrophobicContact CG1-CB 4.35Å; V15-L81 HydrophobicContact CG1-CD2 4.09Å; V15-D82 WeakPolarHBondContact CA-O 3.48Å; V15-I83 HydrophobicContact CB-CD1 4.34Å; V15-I83 HydrophobicContact CG1-CD1 3.69Å; V15-I83 HydrophobicContact CG2-CD1 3.68Å
16	V	95.4	Very high	93.3	Very high	36 Å²	36	60.3 Å²	60.3	22%	0.218	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.9	176	-173.3	0	0	0	0	110.1	V25 E26 L81 D82	V16-V25 WeakPolarHBondContact CA-O 3.47Å; V16-E26 HydrophobicContact CG2-CB 4.32Å; V16-E26 HydrophobicContact CG2-CG 4.18Å; V16-L81 WeakPolarHBondContact O-CA 3.28Å; V16-D82 HydrophobicContact CB-CB 4.17Å; V16-D82 PolarHBondContact N-O 3.01Å; V16-D82 PolarHBondContact O-N 3.17Å
17	L	95.8	Very high	93.4	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.1	176.4	171.2	63.8	0	0	0	110.7	R19 T24 V25 L38 L48 I79 Q80 L81	L17-R19 HydrophobicContact CD1-CG 3.87Å; L17-R19 HydrophobicContact CD2-CG 4.14Å; L17-R19 HydrophobicContact CG-CG 3.9Å; L17-T24 WeakPolarHBondContact O-CA 3.48Å; L17-V25 HydrophobicContact CB-CB 4.41Å; L17-V25 PolarHBondContact N-O 3.47Å; L17-V25 PolarHBondContact O-N 3.05Å; L17-L38 HydrophobicContact CB-CD1 3.97Å; L17-L38 HydrophobicContact CB-CD2 4.21Å; L17-L38 HydrophobicContact CD2-CD2 4.28Å; L17-L48 HydrophobicContact CD1-CD2 4.18Å; L17-L48 HydrophobicContact CD2-CB 3.78Å; L17-L48 HydrophobicContact CD2-CD2 4.25Å; L17-L48 HydrophobicContact CD2-CG 4.44Å; L17-I79 HydrophobicContact CD1-CB 4.24Å; L17-I79 HydrophobicContact CD1-CD1 4.21Å; L17-Q80 WeakPolarHBondContact CA-O 3.48Å; L17-L81 HydrophobicContact CB-CD2 4.17Å; L17-L81 HydrophobicContact CD1-CD2 3.68Å
18	H	95.1	Very high	93.5	Very high	60 Å²	60	57.1 Å²	57.1	28%	0.278	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.7	169.9	-53.5	-101.8	0	0	0	109.7	T24 Q80 D82	H18-T24 VanDerWaalsContact ND1-CG2 3.3Å; H18-T24 WeakPolarHBondContact ND1-CG2 3.48Å; H18-Q80 HydrophobicContact CB-CB 4.14Å; H18-Q80 PolarHBondContact N-O 3.27Å; H18-Q80 PolarHBondContact O-N 3.39Å; H18-D82 IonicContact CD2-OD2 3.68Å; H18-D82 IonicContact CE1-OD2 3.79Å; H18-D82 IonicContact NE2-OD2 3.44Å; H18-D82 PolarHBondContact NE2-OD2 2.94Å
19	R	92	Very high	93.6	Very high	33 Å²	33	51.4 Å²	51.4	13%	0.125	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.3	-179.8	-71.4	176.7	-70.6	165.5	0.5	109.8	L17 F21 M22 E46 I79	L17-R19 HydrophobicContact CD1-CG 3.87Å; L17-R19 HydrophobicContact CD2-CG 4.14Å; L17-R19 HydrophobicContact CG-CG 3.9Å; R19-F21 PolarHBondContact O-N 3.07Å; R19-M22 HydrophobicContact CB-CB 4.04Å; R19-M22 HydrophobicContact CB-CG 4.47Å; R19-M22 PolarHBondContact O-N 3.31Å; R19-E46 IonicContact CZ-OE2 2.84Å; R19-E46 VanDerWaalsContact NH1-CD 3.34Å; R19-E46 IonicContact NH1-OE1 3.93Å; R19-E46 IonicContact NH1-OE2 3.42Å; R19-E46 PolarHBondContact NH1-OE2 3.31Å; R19-E46 IonicContact NH2-OE2 2.96Å; R19-I79 HydrophobicContact CG-CG2 3.95Å
20	P	89.2	Confident	93.7	Very high	35 Å²	35	52.3 Å²	52.3	23%	0.227	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	132.7	174.4	-23.6	33.7	0	0	0	111.5	M22 V78 W501	P20-M22 WeakPolarHBondContact O-CG 3.39Å; P20-M22 PolarHBondContact O-N 3.45Å; P20-V78 WeakPolarHBondContact CD-O 3.5Å; P20-W501 WeakPolarHBondContact CB-O 3.35Å; P20-W501 HydrophobicContact CG-CB 4.42Å
21	F	88.6	Confident	93.8	Very high	118 Å²	118	49 Å²	49	52%	0.518	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	9.3	175.5	-44	-59.4	0	0	0	117	R19 W501	R19-F21 PolarHBondContact O-N 3.07Å; F21-W501 VanDerWaalsContact CE2-O 3.27Å; F21-W501 WeakPolarHBondContact CE2-O 3.34Å
22	M	88.5	Confident	93.7	Very high	87 Å²	87	45.1 Å²	45.1	43%	0.429	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148	-177.9	-64.2	-66.5	-87.4	0	0	110.6	R19 P20 E46	R19-M22 HydrophobicContact CB-CB 4.04Å; R19-M22 HydrophobicContact CB-CG 4.47Å; R19-M22 PolarHBondContact O-N 3.31Å; P20-M22 WeakPolarHBondContact O-CG 3.39Å; P20-M22 PolarHBondContact O-N 3.45Å; M22-E46 WeakPolarHBondContact CE-OE2 3.47Å
23	P	89.9	Confident	93.6	Very high	101 Å²	101	45.1 Å²	45.1	66%	0.656	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	150.3	171.2	-22.4	33.5	0	0	0	112
24	T	92.3	Very high	93.6	Very high	89 Å²	89	42.4 Å²	42.4	55%	0.546	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	138.4	173.8	54.4	0	0	0	0	110.6	L17 H18	L17-T24 WeakPolarHBondContact O-CA 3.48Å; H18-T24 VanDerWaalsContact ND1-CG2 3.3Å; H18-T24 WeakPolarHBondContact ND1-CG2 3.48Å
25	V	93.1	Very high	93.8	Very high	12 Å²	12	41.9 Å²	41.9	7%	0.073	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118	179.5	-178.1	0	0	0	0	109.2	V16 L17 L38 S40	V16-V25 WeakPolarHBondContact CA-O 3.47Å; L17-V25 HydrophobicContact CB-CB 4.41Å; L17-V25 PolarHBondContact N-O 3.47Å; L17-V25 PolarHBondContact O-N 3.05Å; V25-L38 HydrophobicContact CB-CD2 4.35Å; V25-L38 HydrophobicContact CG1-CD2 3.79Å; V25-S40 VanDerWaalsContact CG1-CB 3.49Å
26	E	94	Very high	93.8	Very high	129 Å²	129	41.9 Å²	41.9	60%	0.603	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.9	170	-172.9	-177.5	163.9	0	0	109.7	V15 V16 S40	V15-E26 CarbonylContact O-C 3.59Å; V15-E26 WeakPolarHBondContact O-CA 3.38Å; V16-E26 HydrophobicContact CG2-CB 4.32Å; V16-E26 HydrophobicContact CG2-CG 4.18Å; E26-S40 WeakPolarHBondContact O-CB 3.25Å
27	G	94.4	Very high	93.8	Very high	9 Å²	9	41.3 Å²	41.3	9%	0.093	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-163	-177.6	0	0	0	0	0	114.9	G14 V15 S39	G14-G27 PolarHBondContact N-O 3.32Å; V15-G27 PolarHBondContact N-O 2.97Å; V15-G27 PolarHBondContact O-N 2.9Å; G27-S39 WeakPolarHBondContact CA-O 3.46Å
28	T	95.9	Very high	93.8	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.9	174.8	-59.7	0	0	0	0	108.8	R11 V12 D13 L38 S39	R11-T28 HydrophobicContact CG-CG2 3.6Å; R11-T28 VanDerWaalsContact NE-CG2 3.3Å; V12-T28 CarbonylContact O-C 3.51Å; V12-T28 WeakPolarHBondContact O-CA 3.35Å; D13-T28 WeakPolarHBondContact OD1-CB 3.4Å; D13-T28 WeakPolarHBondContact OD1-CG2 3.41Å; D13-T28 PolarHBondContact OD1-OG1 3.42Å; T28-L38 WeakPolarHBondContact O-CA 3.34Å; T28-S39 PolarHBondContact N-O 2.92Å; T28-S39 PolarHBondContact O-N 3.28Å; T28-S39 VanDerWaalsContact O-N 3.08Å
29	L	96.8	Very high	93.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.5	171.3	-171.6	73.2	0	0	0	109.7	R11 V12 V15 L31 L36 I37 L38 L81 I83 I92	R11-L29 CarbonylContact C-O 3.57Å; R11-L29 VanDerWaalsContact CA-O 3.28Å; R11-L29 WeakPolarHBondContact CA-O 3.3Å; V12-L29 PolarHBondContact N-O 3.09Å; V12-L29 PolarHBondContact O-N 3.14Å; V15-L29 HydrophobicContact CB-CB 4.04Å; V15-L29 HydrophobicContact CG1-CB 4.2Å; V15-L29 HydrophobicContact CG1-CD2 4.48Å; V15-L29 HydrophobicContact CG2-CB 3.71Å; V15-L29 HydrophobicContact CG2-CD2 4.43Å; L29-L31 HydrophobicContact CD2-CD1 4.02Å; L29-L31 HydrophobicContact CG-CD1 3.99Å; L29-L36 HydrophobicContact CD1-CD1 3.67Å; L29-L36 HydrophobicContact CD1-CG 3.99Å; L29-L36 HydrophobicContact CD2-CD1 4.1Å; L29-L36 HydrophobicContact CG-CD1 4.02Å; L29-I37 CarbonylContact C-O 3.58Å; L29-I37 WeakPolarHBondContact CA-O 3.34Å; L29-L38 HydrophobicContact CD1-CB 4.07Å; L29-L38 HydrophobicContact CD1-CD1 4.21Å; L29-L81 HydrophobicContact CD1-CD1 4.23Å; L29-L81 HydrophobicContact CD1-CD2 4.47Å; L29-L81 HydrophobicContact CD2-CD1 4.29Å; L29-I83 HydrophobicContact CD2-CD1 3.75Å; L29-I92 HydrophobicContact CD2-CG1 4.46Å; L29-I92 HydrophobicContact CD2-CG2 4.01Å
30	C	96.2	Very high	93.5	Very high	44 Å²	44	39.2 Å²	39.2	30%	0.297	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.5	178.3	-70	0	0	0	0	109.9	P10 I37	P10-C30 WeakPolarHBondContact O-CA 3.06Å; C30-I37 HydrophobicContact CB-CB 4.42Å; C30-I37 PolarHBondContact N-O 3.33Å; C30-I37 PolarHBondContact O-N 3.4Å
31	L	95.5	Very high	92.8	Very high	10 Å²	10	46.2 Å²	46.2	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.7	173.3	-82.3	66.8	0	0	0	109.1	I7 P10 L29 L36 I92 I96	I7-L31 HydrophobicContact CG2-CB 4.12Å; P10-L31 PolarHBondContact O-N 3.48Å; L29-L31 HydrophobicContact CD2-CD1 4.02Å; L29-L31 HydrophobicContact CG-CD1 3.99Å; L31-L36 HydrophobicContact CD1-CD1 3.42Å; L31-L36 VanDerWaalsContact CD1-CD1 3.42Å; L31-L36 HydrophobicContact CG-CD1 3.79Å; L31-I92 HydrophobicContact CD1-CD1 3.61Å; L31-I92 HydrophobicContact CD1-CG2 4.3Å; L31-I92 HydrophobicContact CD2-CD1 3.89Å; L31-I92 HydrophobicContact CD2-CG2 4.32Å; L31-I92 HydrophobicContact CG-CD1 4.36Å; L31-I96 HydrophobicContact CD2-CG1 4.36Å
32	T	94.6	Very high	92.3	Very high	53 Å²	53	47 Å²	47	33%	0.325	25%	0.25	S	C	.	.			trans	-111.2	178.2	170.1	70.5	0	0	0	0	109.5	H34 H35 I37 H52	T32-H34 PolarHBondContact O-N 2.93Å; T32-H34 PolarHBondContact OG1-N 3.36Å; T32-H35 PolarHBondContact N-O 3.3Å; T32-H35 WeakPolarHBondContact OG1-CA 3.44Å; T32-H35 WeakPolarHBondContact OG1-CB 3.45Å; T32-H35 PolarHBondContact OG1-N 2.93Å; T32-H35 PolarHBondContact OG1-O 3.37Å; T32-H35 VanDerWaalsContact OG1-O 3.1Å; T32-I37 HydrophobicContact CG2-CD1 4.14Å; T32-H52 PolarHBondContact O-NE2 2.96Å
33	G	94.1	Very high	91.3	Very high	13 Å²	13	50.5 Å²	50.5	13%	0.134	27%	0.27	C	S	.	.	S	Bend	trans	-61.5	-22.5	176.1	0	0	0	0	0	114.1
34	H	95.3	Very high	90.3	Very high	24 Å²	24	54 Å²	54	11%	0.111	28%	0.283	C	S	.	.	S	Bend	trans	-126.1	-21.2	-174.3	-60.2	104.7	0	0	0	114.6	F3 T32 L51 H52 L107 Y109 F112	F3-H34 AromaticContact CE2-CE1 3.69Å; F3-H34 AromaticContact CE2-NE2 3.92Å; F3-H34 AromaticContact CZ-CE1 3.95Å; F3-H34 AromaticContact CZ-NE2 3.69Å; T32-H34 PolarHBondContact O-N 2.93Å; T32-H34 PolarHBondContact OG1-N 3.36Å; H34-L51 CarbonylContact O-C 3.56Å; H34-L51 WeakPolarHBondContact O-CA 3.39Å; H34-H52 PolarHBondContact O-CD2 3.17Å; H34-H52 PolarHBondContact O-N 3.3Å; H34-L107 PolarHBondContact NE2-O 3.47Å; H34-Y109 HydrophobicContact CB-CD2 3.7Å; H34-Y109 HydrophobicContact CB-CG 4.01Å; H34-Y109 PolarHBondContact CD2-N 3.22Å; H34-Y109 AromaticContact CG-CD2 3.65Å; H34-Y109 AromaticContact ND1-CD2 3.84Å; H34-F112 AromaticContact CE1-CD2 3.37Å; H34-F112 WeakPolarHBondContact CE1-CD2 3.35Å; H34-F112 AromaticContact CE1-CE2 3.86Å; H34-F112 AromaticContact CE1-CG 3.55Å; H34-F112 AromaticContact NE2-CD2 3.5Å; H34-F112 AromaticContact NE2-CE2 3.82Å
35	H	96.6	Very high	89.4	Confident	16 Å²	16	51.7 Å²	51.7	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.5	-173.7	-57.8	76.9	0	0	0	112.9	T32 I37 L50 L51 H52 Y109	T32-H35 PolarHBondContact N-O 3.3Å; T32-H35 WeakPolarHBondContact OG1-CA 3.44Å; T32-H35 WeakPolarHBondContact OG1-CB 3.45Å; T32-H35 PolarHBondContact OG1-N 2.93Å; T32-H35 PolarHBondContact OG1-O 3.37Å; T32-H35 VanDerWaalsContact OG1-O 3.1Å; H35-I37 HydrophobicContact CB-CD1 3.96Å; H35-I37 HydrophobicContact CB-CG1 3.64Å; H35-L50 CarbonylContact C-O 3.55Å; H35-L50 VanDerWaalsContact CA-O 3.28Å; H35-L50 WeakPolarHBondContact CA-O 3.39Å; H35-L51 WeakPolarHBondContact NE2-CD2 3.43Å; H35-H52 PolarHBondContact N-CD2 3.47Å; H35-H52 PolarHBondContact N-NE2 3.32Å; H35-H52 PolarHBondContact O-CE1 2.92Å; H35-H52 PolarHBondContact O-NE2 3.3Å; H35-Y109 AromaticContact CE1-CD1 3.74Å; H35-Y109 AromaticContact CE1-CD2 3.73Å; H35-Y109 AromaticContact CE1-CE1 3.45Å; H35-Y109 VanDerWaalsContact CE1-CE1 3.45Å; H35-Y109 WeakPolarHBondContact CE1-CE1 3.25Å; H35-Y109 AromaticContact CE1-CE2 3.48Å; H35-Y109 VanDerWaalsContact CE1-CE2 3.48Å; H35-Y109 WeakPolarHBondContact CE1-CE2 3.24Å; H35-Y109 AromaticContact CE1-CG 3.86Å; H35-Y109 AromaticContact CE1-CZ 3.31Å; H35-Y109 AromaticContact NE2-CD1 3.98Å; H35-Y109 AromaticContact NE2-CE1 3.63Å; H35-Y109 AromaticContact NE2-CZ 3.87Å
36	L	96.7	Very high	88.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	113.8	156.2	-173.7	66	0	0	0	107.7	L29 L31 L50 H52 L81 I96	L29-L36 HydrophobicContact CD1-CD1 3.67Å; L29-L36 HydrophobicContact CD1-CG 3.99Å; L29-L36 HydrophobicContact CD2-CD1 4.1Å; L29-L36 HydrophobicContact CG-CD1 4.02Å; L31-L36 HydrophobicContact CD1-CD1 3.42Å; L31-L36 VanDerWaalsContact CD1-CD1 3.42Å; L31-L36 HydrophobicContact CG-CD1 3.79Å; L36-L50 HydrophobicContact CB-CB 4.3Å; L36-L50 HydrophobicContact CD2-CD2 4.26Å; L36-L50 PolarHBondContact N-O 3.33Å; L36-L50 PolarHBondContact O-N 3.15Å; L36-H52 PolarHBondContact N-CE1 2.91Å; L36-L81 HydrophobicContact CD2-CD1 3.81Å; L36-I96 HydrophobicContact CD1-CD1 4.2Å; L36-I96 HydrophobicContact CD2-CD1 4.02Å
37	I	96.4	Very high	88.3	Confident	23 Å²	23	54 Å²	54	12%	0.118	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131	-175.2	-56.8	172.6	0	0	0	109.2	L29 C30 T32 H35 L48 W49	L29-I37 CarbonylContact C-O 3.58Å; L29-I37 WeakPolarHBondContact CA-O 3.34Å; C30-I37 HydrophobicContact CB-CB 4.42Å; C30-I37 PolarHBondContact N-O 3.33Å; C30-I37 PolarHBondContact O-N 3.4Å; T32-I37 HydrophobicContact CG2-CD1 4.14Å; H35-I37 HydrophobicContact CB-CD1 3.96Å; H35-I37 HydrophobicContact CB-CG1 3.64Å; I37-L48 CarbonylContact C-O 3.57Å; I37-L48 WeakPolarHBondContact CA-O 3.23Å; I37-W49 HydrophobicContact CD1-CD2 4.24Å; I37-W49 HydrophobicContact CD1-CE3 3.88Å; I37-W49 HydrophobicContact CD1-CH2 3.83Å; I37-W49 HydrophobicContact CD1-CZ2 4.17Å; I37-W49 HydrophobicContact CD1-CZ3 3.67Å; I37-W49 HydrophobicContact CG1-CD2 4.19Å; I37-W49 HydrophobicContact CG1-CE3 4.13Å; I37-W49 HydrophobicContact CG1-CZ3 4.43Å; I37-W49 HydrophobicContact CG2-CD2 4.44Å; I37-W49 HydrophobicContact CG2-CZ2 4.41Å
38	L	95.6	Very high	88.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.6	168.2	-173.2	142.1	0	0	0	109.2	V15 L17 V25 T28 L29 E47 L48 L81	V15-L38 HydrophobicContact CB-CD1 3.99Å; V15-L38 HydrophobicContact CG1-CD1 3.58Å; L17-L38 HydrophobicContact CB-CD1 3.97Å; L17-L38 HydrophobicContact CB-CD2 4.21Å; L17-L38 HydrophobicContact CD2-CD2 4.28Å; V25-L38 HydrophobicContact CB-CD2 4.35Å; V25-L38 HydrophobicContact CG1-CD2 3.79Å; T28-L38 WeakPolarHBondContact O-CA 3.34Å; L29-L38 HydrophobicContact CD1-CB 4.07Å; L29-L38 HydrophobicContact CD1-CD1 4.21Å; L38-E47 CarbonylContact O-C 3.39Å; L38-E47 VanDerWaalsContact O-CA 3.31Å; L38-E47 WeakPolarHBondContact O-CA 3.18Å; L38-E47 WeakPolarHBondContact O-CB 3.39Å; L38-L48 HydrophobicContact CB-CB 3.83Å; L38-L48 HydrophobicContact CB-CD2 4.43Å; L38-L48 PolarHBondContact N-O 3.49Å; L38-L48 PolarHBondContact O-N 3.45Å; L38-L81 HydrophobicContact CD1-CD2 4.2Å
39	S	92.8	Very high	88.1	Confident	39 Å²	39	60.3 Å²	60.3	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.6	177.2	-179.8	0	0	0	0	109.2	G27 T28 E47	G27-S39 WeakPolarHBondContact CA-O 3.46Å; T28-S39 PolarHBondContact N-O 2.92Å; T28-S39 PolarHBondContact O-N 3.28Å; T28-S39 VanDerWaalsContact O-N 3.08Å; S39-E47 VanDerWaalsContact CB-OE1 3.23Å; S39-E47 WeakPolarHBondContact CB-OE1 3.42Å; S39-E47 PolarHBondContact OG-OE1 2.98Å
40	S	86.4	Confident	88.1	Confident	10 Å²	10	60.4 Å²	60.4	7%	0.07	30%	0.3	C	S	.	.			trans	-86.5	138.2	168.5	149.3	0	0	0	0	108.2	V25 E26 Q42 T45	V25-S40 VanDerWaalsContact CG1-CB 3.49Å; E26-S40 WeakPolarHBondContact O-CB 3.25Å; S40-Q42 PolarHBondContact O-N 3.27Å; S40-Q42 VanDerWaalsContact O-N 3.15Å; S40-Q42 WeakPolarHBondContact OG-CB 3.5Å; S40-Q42 PolarHBondContact OG-N 3.47Å; S40-T45 WeakPolarHBondContact CB-OG1 2.87Å; S40-T45 PolarHBondContact OG-OG1 3Å
41	R	75	Confident	88.1	Confident	183 Å²	183	59.5 Å²	59.5	69%	0.691	29%	0.292	S	S	*	.	S	Bend	trans	-78.7	12.7	178.1	-57	-174.4	-170.9	175.6	8.2	112.6	D13	D13-R41 IonicContact OD1-NH2 3.04Å; D13-R41 PolarHBondContact OD1-NH2 2.97Å; D13-R41 IonicContact OD2-NH2 3.64Å
42	Q	77.3	Confident	88.2	Confident	135 Å²	135	59.2 Å²	59.2	63%	0.631	29%	0.29	S	S	*	.	S	Bend	trans	-98.9	138.9	177.6	-57.8	-179.8	-1.6	0	0	109.6	S40 T45	S40-Q42 PolarHBondContact O-N 3.27Å; S40-Q42 VanDerWaalsContact O-N 3.15Å; S40-Q42 WeakPolarHBondContact OG-CB 3.5Å; S40-Q42 PolarHBondContact OG-N 3.47Å; Q42-T45 HydrophobicContact CB-CG2 3.87Å; Q42-T45 PolarHBondContact O-OG1 3.35Å
43	D	68.8	Low	88.2	Confident	159 Å²	159	58.4 Å²	58.4	85%	0.85	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	143.1	173.6	-67.8	-34.9	0	0	0	110.4	T45	D43-T45 VanDerWaalsContact C-N 3.3Å; D43-T45 PolarHBondContact O-N 3.37Å
44	N	68.1	Low	88.3	Confident	176 Å²	176	58.5 Å²	58.5	94%	0.941	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	14.5	179.2	-61.3	-23.6	0	0	0	117.1
45	T	74.6	Confident	88.4	Confident	40 Å²	40	57.5 Å²	57.5	25%	0.245	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-88.7	127.1	168.1	51.8	0	0	0	0	111.1	S40 Q42 D43 E47	S40-T45 WeakPolarHBondContact CB-OG1 2.87Å; S40-T45 PolarHBondContact OG-OG1 3Å; Q42-T45 HydrophobicContact CB-CG2 3.87Å; Q42-T45 PolarHBondContact O-OG1 3.35Å; D43-T45 VanDerWaalsContact C-N 3.3Å; D43-T45 PolarHBondContact O-N 3.37Å; T45-E47 PolarHBondContact O-N 2.95Å
46	E	76.3	Confident	88.4	Confident	111 Å²	111	57.7 Å²	57.7	52%	0.519	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-64.5	122.8	177.9	-167.4	-167.2	-170.6	0	0	111.2	R19 M22	R19-E46 IonicContact CZ-OE2 2.84Å; R19-E46 VanDerWaalsContact NH1-CD 3.34Å; R19-E46 IonicContact NH1-OE1 3.93Å; R19-E46 IonicContact NH1-OE2 3.42Å; R19-E46 PolarHBondContact NH1-OE2 3.31Å; R19-E46 IonicContact NH2-OE2 2.96Å; M22-E46 WeakPolarHBondContact CE-OE2 3.47Å
47	E	86.3	Confident	88.4	Confident	78 Å²	78	58.2 Å²	58.2	36%	0.364	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-75.9	149.1	176.8	-58.8	-169.4	148.8	0	0	111.7	L38 S39 T45 W49	L38-E47 CarbonylContact O-C 3.39Å; L38-E47 VanDerWaalsContact O-CA 3.31Å; L38-E47 WeakPolarHBondContact O-CA 3.18Å; L38-E47 WeakPolarHBondContact O-CB 3.39Å; S39-E47 VanDerWaalsContact CB-OE1 3.23Å; S39-E47 WeakPolarHBondContact CB-OE1 3.42Å; S39-E47 PolarHBondContact OG-OE1 2.98Å; T45-E47 PolarHBondContact O-N 2.95Å; E47-W49 PolarHBondContact OE2-NE1 3.04Å
48	L	92.4	Very high	88.4	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.5	166.7	179.1	66.4	0	0	0	109.3	L17 I37 L38 L50 I79	L17-L48 HydrophobicContact CD1-CD2 4.18Å; L17-L48 HydrophobicContact CD2-CB 3.78Å; L17-L48 HydrophobicContact CD2-CD2 4.25Å; L17-L48 HydrophobicContact CD2-CG 4.44Å; I37-L48 CarbonylContact C-O 3.57Å; I37-L48 WeakPolarHBondContact CA-O 3.23Å; L38-L48 HydrophobicContact CB-CB 3.83Å; L38-L48 HydrophobicContact CB-CD2 4.43Å; L38-L48 PolarHBondContact N-O 3.49Å; L38-L48 PolarHBondContact O-N 3.45Å; L48-L50 HydrophobicContact CD1-CB 4.16Å; L48-L50 HydrophobicContact CG-CB 4.27Å; L48-I79 HydrophobicContact CD1-CD1 4.07Å; L48-I79 HydrophobicContact CD2-CD1 3.74Å
49	W	94.2	Very high	88.4	Confident	149 Å²	149	60.5 Å²	60.5	56%	0.564	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	102.8	165	-74.9	71.6	0	0	0	108.5	I37 E47	I37-W49 HydrophobicContact CD1-CD2 4.24Å; I37-W49 HydrophobicContact CD1-CE3 3.88Å; I37-W49 HydrophobicContact CD1-CH2 3.83Å; I37-W49 HydrophobicContact CD1-CZ2 4.17Å; I37-W49 HydrophobicContact CD1-CZ3 3.67Å; I37-W49 HydrophobicContact CG1-CD2 4.19Å; I37-W49 HydrophobicContact CG1-CE3 4.13Å; I37-W49 HydrophobicContact CG1-CZ3 4.43Å; I37-W49 HydrophobicContact CG2-CD2 4.44Å; I37-W49 HydrophobicContact CG2-CZ2 4.41Å; E47-W49 PolarHBondContact OE2-NE1 3.04Å
50	L	96.7	Very high	88.5	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.4	-177.6	173.6	60	0	0	0	110.6	H35 L36 L48 H52 N54 I55 V71 I79	H35-L50 CarbonylContact C-O 3.55Å; H35-L50 VanDerWaalsContact CA-O 3.28Å; H35-L50 WeakPolarHBondContact CA-O 3.39Å; L36-L50 HydrophobicContact CB-CB 4.3Å; L36-L50 HydrophobicContact CD2-CD2 4.26Å; L36-L50 PolarHBondContact N-O 3.33Å; L36-L50 PolarHBondContact O-N 3.15Å; L48-L50 HydrophobicContact CD1-CB 4.16Å; L48-L50 HydrophobicContact CG-CB 4.27Å; L50-H52 PolarHBondContact O-N 2.94Å; L50-N54 HydrophobicContact CD1-CB 3.9Å; L50-I55 HydrophobicContact CD1-CG1 4.49Å; L50-I55 HydrophobicContact CD2-CD1 3.99Å; L50-I55 HydrophobicContact CD2-CG1 3.85Å; L50-I55 HydrophobicContact CG-CD1 4.34Å; L50-I55 HydrophobicContact CG-CG1 4.12Å; L50-V71 HydrophobicContact CD2-CG1 3.9Å; L50-I79 HydrophobicContact CD2-CD1 3.9Å
51	L	96.9	Very high	88.8	Confident	25 Å²	25	68.5 Å²	68.5	13%	0.131	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.6	170.8	-74.1	169.1	0	0	0	110.7	H34 H35 S53 N54 Y109 A431	H34-L51 CarbonylContact O-C 3.56Å; H34-L51 WeakPolarHBondContact O-CA 3.39Å; H35-L51 WeakPolarHBondContact NE2-CD2 3.43Å; L51-S53 PolarHBondContact O-N 3.05Å; L51-N54 HydrophobicContact CB-CB 4.29Å; L51-N54 WeakPolarHBondContact O-CB 3.35Å; L51-N54 PolarHBondContact O-N 3.33Å; L51-Y109 HydrophobicContact CD2-CD1 3.55Å; L51-Y109 HydrophobicContact CD2-CE1 4.29Å; L51-Y109 HydrophobicContact CD2-CG 3.87Å; L51-A431 HydrophobicContact CD1-CB 4.42Å
52	H	96.3	Very high	89.5	Confident	3 Å²	3	63.8 Å²	63.8	1%	0.014	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.4	-34.3	173.6	-63.4	-44.9	0	0	0	111.6	T32 H34 H35 L36 L50 N54 I55 L99 S100	T32-H52 PolarHBondContact O-NE2 2.96Å; H34-H52 PolarHBondContact O-CD2 3.17Å; H34-H52 PolarHBondContact O-N 3.3Å; H35-H52 PolarHBondContact N-CD2 3.47Å; H35-H52 PolarHBondContact N-NE2 3.32Å; H35-H52 PolarHBondContact O-CE1 2.92Å; H35-H52 PolarHBondContact O-NE2 3.3Å; L36-H52 PolarHBondContact N-CE1 2.91Å; L50-H52 PolarHBondContact O-N 2.94Å; H52-N54 PolarHBondContact O-N 3.34Å; H52-I55 WeakPolarHBondContact O-CB 3.5Å; H52-I55 PolarHBondContact O-N 2.72Å; H52-L99 HydrophobicContact CB-CB 4.02Å; H52-L99 WeakPolarHBondContact NE2-CD1 3.43Å; H52-S100 WeakPolarHBondContact O-CA 3.29Å; H52-S100 WeakPolarHBondContact O-CB 3.49Å
53	S	95	Very high	90	Very high	36 Å²	36	62.7 Å²	62.7	25%	0.252	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-65.9	-18.1	176.6	63.3	0	0	0	0	113.9	L51 K74	L51-S53 PolarHBondContact O-N 3.05Å; S53-K74 WeakPolarHBondContact O-CD 3.31Å; S53-K74 VanDerWaalsContact O-CE 3.25Å; S53-K74 WeakPolarHBondContact O-CE 3.49Å; S53-K74 PolarHBondContact O-NZ 2.99Å
54	N	97	Very high	90.9	Very high	15 Å²	15	59 Å²	59	8%	0.08	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-85.8	-12.1	174	-165.8	25	0	0	0	112.3	L50 L51 H52 D56 C73 K74 D75 A431	L50-N54 HydrophobicContact CD1-CB 3.9Å; L51-N54 HydrophobicContact CB-CB 4.29Å; L51-N54 WeakPolarHBondContact O-CB 3.35Å; L51-N54 PolarHBondContact O-N 3.33Å; H52-N54 PolarHBondContact O-N 3.34Å; N54-D56 PolarHBondContact O-N 2.98Å; N54-C73 CarbonylContact O-C 3.55Å; N54-C73 WeakPolarHBondContact O-CA 3.35Å; N54-C73 WeakPolarHBondContact O-CB 3Å; N54-K74 PolarHBondContact O-N 2.93Å; N54-K74 PolarHBondContact OD1-N 2.96Å; N54-D75 PolarHBondContact ND2-OD2 3.41Å; N54-D75 PolarHBondContact OD1-N 3.42Å; N54-A431 HydrophobicContact CB-CB 3.44Å; N54-A431 VanDerWaalsContact CB-CB 3.44Å
55	I	97.1	Very high	91.8	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.5	177.9	-59.5	175	0	0	0	108.1	L50 H52 I58 V71 I96	L50-I55 HydrophobicContact CD1-CG1 4.49Å; L50-I55 HydrophobicContact CD2-CD1 3.99Å; L50-I55 HydrophobicContact CD2-CG1 3.85Å; L50-I55 HydrophobicContact CG-CD1 4.34Å; L50-I55 HydrophobicContact CG-CG1 4.12Å; H52-I55 WeakPolarHBondContact O-CB 3.5Å; H52-I55 PolarHBondContact O-N 2.72Å; I55-I58 HydrophobicContact CG2-CG2 3.82Å; I55-V71 HydrophobicContact CB-CG1 4.35Å; I55-V71 HydrophobicContact CD1-CG1 3.92Å; I55-V71 HydrophobicContact CG1-CG1 3.75Å; I55-V71 HydrophobicContact CG2-CG1 3.83Å; I55-I96 HydrophobicContact CD1-CG2 3.58Å; I55-I96 HydrophobicContact CG2-CG2 4.07Å
56	D	95.9	Very high	92.6	Very high	19 Å²	19	56 Å²	56	10%	0.102	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-40.6	-179.5	-157	31.6	0	0	0	110.9	N54 K72 K74 Q382 S383 A384 Y385 S386	N54-D56 PolarHBondContact O-N 2.98Å; D56-K72 WeakPolarHBondContact CB-O 3.49Å; D56-K72 PolarHBondContact N-O 3.09Å; D56-K74 HydrophobicContact CB-CG 3.68Å; D56-Q382 WeakPolarHBondContact OD1-CA 3.44Å; D56-S383 VanDerWaalsContact CG-N 3.33Å; D56-S383 PolarHBondContact OD1-N 3.04Å; D56-S383 VanDerWaalsContact OD2-CA 3.27Å; D56-S383 WeakPolarHBondContact OD2-CA 3.05Å; D56-S383 WeakPolarHBondContact OD2-CB 3.46Å; D56-S383 PolarHBondContact OD2-N 3.36Å; D56-S383 VanDerWaalsContact OD2-N 3.15Å; D56-A384 PolarHBondContact OD2-N 3.18Å; D56-Y385 WeakPolarHBondContact OD2-CA 3.29Å; D56-Y385 PolarHBondContact OD2-N 3.21Å; D56-S386 PolarHBondContact OD2-N 2.84Å
57	S	96.4	Very high	93.5	Very high	11 Å²	11	50.8 Å²	50.8	8%	0.077	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	163.7	171.4	64.3	0	0	0	0	112.2	K72 Y385	S57-K72 PolarHBondContact N-O 2.96Å; S57-K72 VanDerWaalsContact N-O 3.14Å; S57-K72 PolarHBondContact O-N 3.36Å; S57-Y385 VanDerWaalsContact CB-O 3.24Å; S57-Y385 WeakPolarHBondContact CB-O 3.2Å; S57-Y385 PolarHBondContact OG-O 3.35Å
58	I	96.9	Very high	93.9	Very high	16 Å²	16	47.9 Å²	47.9	8%	0.082	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.5	170.6	66.9	172	0	0	0	110.9	I55 I69 I70 V71 A93 I96 E97	I55-I58 HydrophobicContact CG2-CG2 3.82Å; I58-I69 HydrophobicContact CB-CG2 4.22Å; I58-I69 HydrophobicContact CD1-CG2 4.49Å; I58-I69 HydrophobicContact CG2-CG2 4.42Å; I58-I70 CarbonylContact C-O 3.6Å; I58-I70 VanDerWaalsContact CA-O 3.24Å; I58-I70 WeakPolarHBondContact CA-O 3.39Å; I58-V71 HydrophobicContact CG2-CB 4.5Å; I58-V71 HydrophobicContact CG2-CG1 4.33Å; I58-V71 HydrophobicContact CG2-CG2 4.21Å; I58-A93 HydrophobicContact CD1-CB 3.75Å; I58-A93 WeakPolarHBondContact CD1-O 3.16Å; I58-I96 HydrophobicContact CD1-CB 4.43Å; I58-I96 HydrophobicContact CD1-CG2 4.38Å; I58-I96 HydrophobicContact CG2-CG2 3.79Å; I58-E97 HydrophobicContact CD1-CG 3.67Å; I58-E97 HydrophobicContact CG1-CG 3.98Å
59	E	96.1	Very high	94.2	Very high	56 Å²	56	47.7 Å²	47.7	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.3	166.6	-62	177.8	-163	0	0	109.8	R61 I69 I70 K72	E59-R61 IonicContact OE2-CZ 3.28Å; E59-R61 IonicContact OE2-NE 2.7Å; E59-R61 IonicContact OE2-NH2 2.7Å; E59-R61 PolarHBondContact OE2-NH2 3.37Å; E59-I69 WeakPolarHBondContact O-CA 3.44Å; E59-I70 HydrophobicContact CB-CB 4.21Å; E59-I70 PolarHBondContact N-O 3.05Å; E59-I70 PolarHBondContact O-N 3.38Å; E59-K72 WeakPolarHBondContact OE1-CE 3.41Å; E59-K72 IonicContact OE1-NZ 3.58Å; E59-K72 PolarHBondContact OE1-NZ 3.44Å
60	K	94.4	Very high	94.3	Very high	75 Å²	75	41.8 Å²	41.8	33%	0.326	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.2	-177.4	-52.1	169	-148.9	-170.9	0	108.7	N68 A93 E97	K60-N68 CarbonylContact C-O 3.52Å; K60-N68 WeakPolarHBondContact CA-O 3.4Å; K60-A93 HydrophobicContact CD-CB 3.57Å; K60-A93 HydrophobicContact CG-CB 3.96Å; K60-E97 WeakPolarHBondContact CE-OE1 3.5Å; K60-E97 IonicContact NZ-OE1 3.66Å; K60-E97 PolarHBondContact NZ-OE1 2.92Å; K60-E97 IonicContact NZ-OE2 3.51Å; K60-E97 PolarHBondContact NZ-OE2 2.93Å
61	R	93.5	Very high	94.4	Very high	142 Å²	142	41.7 Å²	41.7	54%	0.536	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	156.2	175	-57.7	-178	-171.9	-164.8	3.6	109.4	E59 N68	E59-R61 IonicContact OE2-CZ 3.28Å; E59-R61 IonicContact OE2-NE 2.7Å; E59-R61 IonicContact OE2-NH2 2.7Å; E59-R61 PolarHBondContact OE2-NH2 3.37Å; R61-N68 HydrophobicContact CB-CB 4.2Å; R61-N68 PolarHBondContact N-O 3.46Å; R61-N68 PolarHBondContact O-N 3.09Å
62	F	90.4	Very high	94.4	Very high	83 Å²	83	42.5 Å²	42.5	36%	0.364	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.8	178.1	-64.1	-81.9	0	0	0	109.9	M86 C89 L90	F62-M86 HydrophobicContact CD1-CG 4.12Å; F62-M86 HydrophobicContact CE1-CB 4.28Å; F62-M86 HydrophobicContact CE1-CG 3.68Å; F62-M86 HydrophobicContact CZ-CE 4.45Å; F62-M86 HydrophobicContact CZ-CG 4.21Å; F62-C89 HydrophobicContact CE1-CB 4.03Å; F62-L90 HydrophobicContact CE2-CD2 4.36Å; F62-L90 HydrophobicContact CZ-CD2 3.77Å; F62-L90 HydrophobicContact CZ-CG 3.97Å
63	V	86.3	Confident	94.5	Very high	113 Å²	113	42.4 Å²	42.4	69%	0.685	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	99.4	174.8	-175.9	0	0	0	0	107.5	S65 V66	V63-S65 PolarHBondContact O-N 2.94Å; V63-V66 PolarHBondContact N-O 3.45Å; V63-V66 PolarHBondContact O-N 3.27Å
64	G	87.6	Confident	94.6	Very high	81 Å²	81	41.5 Å²	41.5	84%	0.835	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	-123.1	-172.8	0	0	0	0	0	111.5
65	S	86.6	Confident	94.5	Very high	96 Å²	96	41.3 Å²	41.3	67%	0.671	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.8	178.8	56.9	0	0	0	0	114.3	V63 G85	V63-S65 PolarHBondContact O-N 2.94Å; S65-G85 WeakPolarHBondContact O-CA 3.45Å; S65-G85 PolarHBondContact O-N 3.29Å; S65-G85 VanDerWaalsContact O-N 3.13Å
66	V	91.9	Very high	94.5	Very high	58 Å²	58	41.5 Å²	41.5	35%	0.352	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.9	179.9	-179.1	0	0	0	0	109.2	V63 D82	V63-V66 PolarHBondContact N-O 3.45Å; V63-V66 PolarHBondContact O-N 3.27Å; V66-D82 HydrophobicContact CG1-CB 3.98Å
67	G	95.1	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	143.8	170.5	0	0	0	0	0	110.7	D82 I83	G67-D82 CarbonylContact O-C 3.57Å; G67-D82 WeakPolarHBondContact O-CA 3.44Å; G67-I83 PolarHBondContact N-O 2.88Å; G67-I83 PolarHBondContact O-N 2.91Å
68	N	95.7	Very high	94.4	Very high	18 Å²	18	44.6 Å²	44.6	10%	0.096	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.5	-179.9	-179.8	-89.8	0	0	0	108.7	K60 R61 I70 Q80 L81 D82	K60-N68 CarbonylContact C-O 3.52Å; K60-N68 WeakPolarHBondContact CA-O 3.4Å; R61-N68 HydrophobicContact CB-CB 4.2Å; R61-N68 PolarHBondContact N-O 3.46Å; R61-N68 PolarHBondContact O-N 3.09Å; N68-I70 WeakPolarHBondContact OD1-CG1 3.26Å; N68-Q80 WeakPolarHBondContact ND2-CG 3.39Å; N68-Q80 PolarHBondContact ND2-NE2 3.19Å; N68-L81 WeakPolarHBondContact CA-O 3.48Å; N68-D82 PolarHBondContact ND2-OD1 3.03Å
69	I	97.6	Very high	94.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	112	175.5	-55.5	177.1	0	0	0	108	I58 E59 V71 Q80 L81 I83 I92 A93	I58-I69 HydrophobicContact CB-CG2 4.22Å; I58-I69 HydrophobicContact CD1-CG2 4.49Å; I58-I69 HydrophobicContact CG2-CG2 4.42Å; E59-I69 WeakPolarHBondContact O-CA 3.44Å; I69-V71 HydrophobicContact CG2-CG2 3.84Å; I69-Q80 WeakPolarHBondContact O-CA 3.36Å; I69-L81 HydrophobicContact CB-CB 4.45Å; I69-L81 PolarHBondContact N-O 2.96Å; I69-L81 PolarHBondContact O-N 3.48Å; I69-I83 HydrophobicContact CD1-CG1 3.97Å; I69-I83 HydrophobicContact CG1-CG1 4.28Å; I69-I92 HydrophobicContact CD1-CB 4.11Å; I69-I92 HydrophobicContact CD1-CG2 3.73Å; I69-A93 HydrophobicContact CD1-CB 3.95Å
70	I	97.5	Very high	94.4	Very high	24 Å²	24	44.2 Å²	44.2	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.9	170.3	-55.5	174.6	0	0	0	106.9	I58 E59 N68 K72 V78 I79	I58-I70 CarbonylContact C-O 3.6Å; I58-I70 VanDerWaalsContact CA-O 3.24Å; I58-I70 WeakPolarHBondContact CA-O 3.39Å; E59-I70 HydrophobicContact CB-CB 4.21Å; E59-I70 PolarHBondContact N-O 3.05Å; E59-I70 PolarHBondContact O-N 3.38Å; N68-I70 WeakPolarHBondContact OD1-CG1 3.26Å; I70-K72 HydrophobicContact CG2-CG 4.41Å; I70-V78 HydrophobicContact CG2-CG1 3.52Å; I70-I79 CarbonylContact C-O 3.6Å; I70-I79 WeakPolarHBondContact CA-O 3.34Å
71	V	97.7	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	119.7	179.5	-175.5	0	0	0	0	108.7	L50 I55 I58 I69 V78 I79 L81	L50-V71 HydrophobicContact CD2-CG1 3.9Å; I55-V71 HydrophobicContact CB-CG1 4.35Å; I55-V71 HydrophobicContact CD1-CG1 3.92Å; I55-V71 HydrophobicContact CG1-CG1 3.75Å; I55-V71 HydrophobicContact CG2-CG1 3.83Å; I58-V71 HydrophobicContact CG2-CB 4.5Å; I58-V71 HydrophobicContact CG2-CG1 4.33Å; I58-V71 HydrophobicContact CG2-CG2 4.21Å; I69-V71 HydrophobicContact CG2-CG2 3.84Å; V71-V78 WeakPolarHBondContact O-CA 3.37Å; V71-I79 HydrophobicContact CB-CD1 4.32Å; V71-I79 HydrophobicContact CB-CG1 3.73Å; V71-I79 HydrophobicContact CG1-CG1 4.45Å; V71-I79 HydrophobicContact CG2-CG1 4.37Å; V71-I79 PolarHBondContact N-O 3.05Å; V71-I79 PolarHBondContact O-N 3.05Å; V71-L81 HydrophobicContact CG2-CD1 4.34Å
72	K	97.6	Very high	94.8	Very high	43 Å²	43	35.5 Å²	35.5	19%	0.187	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.1	179.1	-66.6	179.5	170.3	174.9	0	109.2	D56 S57 E59 I70 V78 Y385	D56-K72 WeakPolarHBondContact CB-O 3.49Å; D56-K72 PolarHBondContact N-O 3.09Å; S57-K72 PolarHBondContact N-O 2.96Å; S57-K72 VanDerWaalsContact N-O 3.14Å; S57-K72 PolarHBondContact O-N 3.36Å; E59-K72 WeakPolarHBondContact OE1-CE 3.41Å; E59-K72 IonicContact OE1-NZ 3.58Å; E59-K72 PolarHBondContact OE1-NZ 3.44Å; I70-K72 HydrophobicContact CG2-CG 4.41Å; K72-V78 HydrophobicContact CG-CG1 4.18Å; K72-V78 HydrophobicContact CG-CG2 4.12Å; K72-Y385 HydrophobicContact CB-CD1 4.49Å; K72-Y385 HydrophobicContact CB-CD2 3.65Å; K72-Y385 HydrophobicContact CB-CE2 4.32Å; K72-Y385 HydrophobicContact CB-CG 3.72Å; K72-Y385 HydrophobicContact CD-CD1 3.89Å; K72-Y385 HydrophobicContact CD-CG 3.89Å; K72-Y385 HydrophobicContact CG-CD2 4.38Å; K72-Y385 HydrophobicContact CG-CG 4.23Å
73	C	97.5	Very high	95.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	157.1	-169.8	-58.7	0	0	0	0	112	N54 D75 L76 R77 Y385	N54-C73 CarbonylContact O-C 3.55Å; N54-C73 WeakPolarHBondContact O-CA 3.35Å; N54-C73 WeakPolarHBondContact O-CB 3Å; C73-D75 WeakPolarHBondContact CB-OD1 3.46Å; C73-D75 PolarHBondContact O-N 3.26Å; C73-L76 PolarHBondContact O-N 2.64Å; C73-L76 VanDerWaalsContact O-N 3.08Å; C73-R77 HydrophobicContact CB-CB 4.19Å; C73-R77 WeakPolarHBondContact CB-O 3.38Å; C73-R77 PolarHBondContact N-O 2.97Å; C73-Y385 WeakPolarHBondContact O-CD2 3.44Å
74	K	97.1	Very high	95.5	Very high	18 Å²	18	28.7 Å²	28.7	8%	0.078	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.1	-179.1	-65.6	175.6	-175	174.2	0	112.6	S53 N54 D56 L76 A381 S383 Y430	S53-K74 WeakPolarHBondContact O-CD 3.31Å; S53-K74 VanDerWaalsContact O-CE 3.25Å; S53-K74 WeakPolarHBondContact O-CE 3.49Å; S53-K74 PolarHBondContact O-NZ 2.99Å; N54-K74 PolarHBondContact O-N 2.93Å; N54-K74 PolarHBondContact OD1-N 2.96Å; D56-K74 HydrophobicContact CB-CG 3.68Å; K74-L76 PolarHBondContact O-N 2.88Å; K74-A381 WeakPolarHBondContact CE-O 3.31Å; K74-A381 PolarHBondContact NZ-O 2.56Å; K74-S383 PolarHBondContact O-OG 2.7Å; K74-Y430 HydrophobicContact CB-CD1 3.81Å; K74-Y430 HydrophobicContact CB-CG 4.19Å; K74-Y430 HydrophobicContact CD-CD1 4.09Å; K74-Y430 HydrophobicContact CG-CD1 4.33Å
75	D	95.6	Very high	95.7	Very high	10 Å²	10	26 Å²	26	5%	0.053	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	12.2	171	70.1	6.6	0	0	0	114.1	N54 C73 R77 E427 R500 W501	N54-D75 PolarHBondContact ND2-OD2 3.41Å; N54-D75 PolarHBondContact OD1-N 3.42Å; C73-D75 WeakPolarHBondContact CB-OD1 3.46Å; C73-D75 PolarHBondContact O-N 3.26Å; D75-R77 PolarHBondContact O-N 2.9Å; D75-R77 WeakPolarHBondContact OD1-CB 3.37Å; D75-R77 PolarHBondContact OD1-N 3.08Å; D75-E427 HydrophobicContact CB-CG 4.35Å; D75-R500 PolarHBondContact O-NH2 2.97Å; D75-W501 PolarHBondContact O-NE1 2.92Å
76	L	96.6	Very high	96	Very high	9 Å²	9	26.5 Å²	26.5	5%	0.047	14%	0.143	C	C	.	.	S	Bend	trans	70.2	4.4	-179.6	-46.8	-178.9	0	0	0	115.2	C73 K74 V282 A384 Y385 F426 V497 F498 W501	C73-L76 PolarHBondContact O-N 2.64Å; C73-L76 VanDerWaalsContact O-N 3.08Å; K74-L76 PolarHBondContact O-N 2.88Å; L76-V282 HydrophobicContact CD1-CG2 4.07Å; L76-V282 HydrophobicContact CD2-CG1 4.42Å; L76-V282 HydrophobicContact CD2-CG2 3.73Å; L76-A384 HydrophobicContact CD2-CB 3.98Å; L76-Y385 PolarHBondContact O-OH 2.61Å; L76-F426 HydrophobicContact CG-CZ 4.35Å; L76-V497 HydrophobicContact CD1-CG1 4.07Å; L76-F498 HydrophobicContact CD1-CD1 3.7Å; L76-F498 HydrophobicContact CD1-CE1 4.1Å; L76-W501 VanDerWaalsContact O-CD1 3.25Å
77	R	94.6	Very high	96	Very high	46 Å²	46	29.1 Å²	29.1	17%	0.174	16%	0.155	C	C	.	.			trans	-76.1	137.9	177.7	-170	173.1	55.5	-178.8	-5.4	110.6	C73 D75 I79 W501	C73-R77 HydrophobicContact CB-CB 4.19Å; C73-R77 WeakPolarHBondContact CB-O 3.38Å; C73-R77 PolarHBondContact N-O 2.97Å; D75-R77 PolarHBondContact O-N 2.9Å; D75-R77 WeakPolarHBondContact OD1-CB 3.37Å; D75-R77 PolarHBondContact OD1-N 3.08Å; R77-I79 HydrophobicContact CG-CG2 3.93Å; R77-W501 HydrophobicContact CB-CD2 4.09Å; R77-W501 HydrophobicContact CB-CG 4.35Å; R77-W501 HydrophobicContact CB-CZ2 4.02Å; R77-W501 HydrophobicContact CG-CD2 4.03Å; R77-W501 HydrophobicContact CG-CE3 4.26Å; R77-W501 HydrophobicContact CG-CH2 4.48Å; R77-W501 HydrophobicContact CG-CZ2 4.24Å; R77-W501 HydrophobicContact CG-CZ3 4.48Å
78	V	96.2	Very high	96	Very high	48 Å²	48	32.8 Å²	32.8	29%	0.291	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.6	169.7	-174.4	0	0	0	0	108.5	P20 I70 V71 K72 Y385	P20-V78 WeakPolarHBondContact CD-O 3.5Å; I70-V78 HydrophobicContact CG2-CG1 3.52Å; V71-V78 WeakPolarHBondContact O-CA 3.37Å; K72-V78 HydrophobicContact CG-CG1 4.18Å; K72-V78 HydrophobicContact CG-CG2 4.12Å; V78-Y385 HydrophobicContact CG2-CE2 4.03Å
79	I	96.6	Very high	96	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.5	174.9	66.7	174.7	0	0	0	109.6	L17 R19 L48 L50 I70 V71 R77	L17-I79 HydrophobicContact CD1-CB 4.24Å; L17-I79 HydrophobicContact CD1-CD1 4.21Å; R19-I79 HydrophobicContact CG-CG2 3.95Å; L48-I79 HydrophobicContact CD1-CD1 4.07Å; L48-I79 HydrophobicContact CD2-CD1 3.74Å; L50-I79 HydrophobicContact CD2-CD1 3.9Å; I70-I79 CarbonylContact C-O 3.6Å; I70-I79 WeakPolarHBondContact CA-O 3.34Å; V71-I79 HydrophobicContact CB-CD1 4.32Å; V71-I79 HydrophobicContact CB-CG1 3.73Å; V71-I79 HydrophobicContact CG1-CG1 4.45Å; V71-I79 HydrophobicContact CG2-CG1 4.37Å; V71-I79 PolarHBondContact N-O 3.05Å; V71-I79 PolarHBondContact O-N 3.05Å; R77-I79 HydrophobicContact CG-CG2 3.93Å
80	Q	97.2	Very high	95.9	Very high	62 Å²	62	35.1 Å²	35.1	29%	0.29	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.9	177.5	167.8	-172.2	-42.9	0	0	110	L17 H18 N68 I69 D82	L17-Q80 WeakPolarHBondContact CA-O 3.48Å; H18-Q80 HydrophobicContact CB-CB 4.14Å; H18-Q80 PolarHBondContact N-O 3.27Å; H18-Q80 PolarHBondContact O-N 3.39Å; N68-Q80 WeakPolarHBondContact ND2-CG 3.39Å; N68-Q80 PolarHBondContact ND2-NE2 3.19Å; I69-Q80 WeakPolarHBondContact O-CA 3.36Å; Q80-D82 PolarHBondContact NE2-OD1 3.16Å
81	L	97.4	Very high	95.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.8	174.5	-62.1	171.8	0	0	0	109.3	V15 V16 L17 L29 L36 L38 N68 I69 V71 I83	V15-L81 HydrophobicContact CG1-CB 4.35Å; V15-L81 HydrophobicContact CG1-CD2 4.09Å; V16-L81 WeakPolarHBondContact O-CA 3.28Å; L17-L81 HydrophobicContact CB-CD2 4.17Å; L17-L81 HydrophobicContact CD1-CD2 3.68Å; L29-L81 HydrophobicContact CD1-CD1 4.23Å; L29-L81 HydrophobicContact CD1-CD2 4.47Å; L29-L81 HydrophobicContact CD2-CD1 4.29Å; L36-L81 HydrophobicContact CD2-CD1 3.81Å; L38-L81 HydrophobicContact CD1-CD2 4.2Å; N68-L81 WeakPolarHBondContact CA-O 3.48Å; I69-L81 HydrophobicContact CB-CB 4.45Å; I69-L81 PolarHBondContact N-O 2.96Å; I69-L81 PolarHBondContact O-N 3.48Å; V71-L81 HydrophobicContact CG2-CD1 4.34Å; L81-I83 HydrophobicContact CB-CD1 4.04Å
82	D	97.1	Very high	95.8	Very high	34 Å²	34	36.4 Å²	36.4	18%	0.182	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.8	169.3	-59.4	-27	0	0	0	108.4	V15 V16 H18 V66 G67 N68 Q80	V15-D82 WeakPolarHBondContact CA-O 3.48Å; V16-D82 HydrophobicContact CB-CB 4.17Å; V16-D82 PolarHBondContact N-O 3.01Å; V16-D82 PolarHBondContact O-N 3.17Å; H18-D82 IonicContact CD2-OD2 3.68Å; H18-D82 IonicContact CE1-OD2 3.79Å; H18-D82 IonicContact NE2-OD2 3.44Å; H18-D82 PolarHBondContact NE2-OD2 2.94Å; V66-D82 HydrophobicContact CG1-CB 3.98Å; G67-D82 CarbonylContact O-C 3.57Å; G67-D82 WeakPolarHBondContact O-CA 3.44Å; N68-D82 PolarHBondContact ND2-OD1 3.03Å; Q80-D82 PolarHBondContact NE2-OD1 3.16Å
83	I	96.8	Very high	95.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.4	-175.6	-51.1	-62.5	0	0	0	109.2	V12 V15 L29 G67 I69 L81 G85 E88 C89	V12-I83 HydrophobicContact CG1-CG2 4.22Å; V15-I83 HydrophobicContact CB-CD1 4.34Å; V15-I83 HydrophobicContact CG1-CD1 3.69Å; V15-I83 HydrophobicContact CG2-CD1 3.68Å; L29-I83 HydrophobicContact CD2-CD1 3.75Å; G67-I83 PolarHBondContact N-O 2.88Å; G67-I83 PolarHBondContact O-N 2.91Å; I69-I83 HydrophobicContact CD1-CG1 3.97Å; I69-I83 HydrophobicContact CG1-CG1 4.28Å; L81-I83 HydrophobicContact CB-CD1 4.04Å; I83-G85 PolarHBondContact O-N 3.15Å; I83-E88 HydrophobicContact CG2-CB 3.92Å; I83-C89 HydrophobicContact CB-CB 4.03Å; I83-C89 HydrophobicContact CG2-CB 4.14Å
84	P	95	Very high	95.7	Very high	54 Å²	54	36 Å²	36	35%	0.351	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	124.5	170.3	-19.5	32.2	0	0	0	110.5	G14	G14-P84 WeakPolarHBondContact O-CG 3.26Å
85	G	92.1	Very high	95.7	Very high	23 Å²	23	35.1 Å²	35.1	24%	0.237	19%	0.19	C	C	.	.	S	Bend	trans	91.8	138.5	176.2	0	0	0	0	0	114.1	S65 I83 E88 C89	S65-G85 WeakPolarHBondContact O-CA 3.45Å; S65-G85 PolarHBondContact O-N 3.29Å; S65-G85 VanDerWaalsContact O-N 3.13Å; I83-G85 PolarHBondContact O-N 3.15Å; G85-E88 VanDerWaalsContact CA-OE2 3.31Å; G85-E88 WeakPolarHBondContact CA-OE2 3.41Å; G85-C89 WeakPolarHBondContact O-CB 3.19Å; G85-C89 PolarHBondContact O-N 3.39Å
86	M	92.3	Very high	95.7	Very high	107 Å²	107	34.7 Å²	34.7	53%	0.527	19%	0.188	S	C	.	.	H	α-helix	trans	-72.6	-42.5	-176.7	-179.4	169.1	179.7	0	0	111.8	F62 C89 L90	F62-M86 HydrophobicContact CD1-CG 4.12Å; F62-M86 HydrophobicContact CE1-CB 4.28Å; F62-M86 HydrophobicContact CE1-CG 3.68Å; F62-M86 HydrophobicContact CZ-CE 4.45Å; F62-M86 HydrophobicContact CZ-CG 4.21Å; M86-C89 PolarHBondContact O-N 2.7Å; M86-L90 HydrophobicContact CE-CD1 4.25Å; M86-L90 HydrophobicContact CG-CD1 4.25Å; M86-L90 WeakPolarHBondContact O-CG 3.47Å; M86-L90 PolarHBondContact O-N 2.79Å
87	D	93.5	Very high	95.6	Very high	113 Å²	113	38 Å²	38	60%	0.604	20%	0.203	S	C	*	.	H	α-helix	trans	-68.1	-41.8	-178	-69.4	-26.5	0	0	0	111.1	L90 N91	D87-L90 PolarHBondContact O-N 3.11Å; D87-N91 WeakPolarHBondContact O-CB 3.5Å; D87-N91 VanDerWaalsContact O-CG 3.25Å; D87-N91 PolarHBondContact O-N 2.91Å
88	E	94.6	Very high	95.6	Very high	78 Å²	78	37.3 Å²	37.3	36%	0.364	21%	0.207	S	C	.	.	H	α-helix	trans	-59	-50.4	173.8	-67.7	79.5	-177.5	0	0	110.6	V12 I83 G85 L90 N91 I92	V12-E88 HydrophobicContact CG2-CB 4.21Å; V12-E88 HydrophobicContact CG2-CG 4.36Å; I83-E88 HydrophobicContact CG2-CB 3.92Å; G85-E88 VanDerWaalsContact CA-OE2 3.31Å; G85-E88 WeakPolarHBondContact CA-OE2 3.41Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 3.02Å; E88-N91 PolarHBondContact O-N 3.16Å; E88-I92 WeakPolarHBondContact O-CB 3.4Å; E88-I92 VanDerWaalsContact O-CG1 3.28Å; E88-I92 WeakPolarHBondContact O-CG1 3.23Å; E88-I92 PolarHBondContact O-N 2.88Å
89	C	95.8	Very high	95.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.6	-47.7	177.6	-179.9	0	0	0	0	112.1	F62 I83 G85 M86 N91 I92 A93	F62-C89 HydrophobicContact CE1-CB 4.03Å; I83-C89 HydrophobicContact CB-CB 4.03Å; I83-C89 HydrophobicContact CG2-CB 4.14Å; G85-C89 WeakPolarHBondContact O-CB 3.19Å; G85-C89 PolarHBondContact O-N 3.39Å; M86-C89 PolarHBondContact O-N 2.7Å; C89-N91 PolarHBondContact O-N 3.06Å; C89-I92 PolarHBondContact O-N 3.32Å; C89-A93 VanDerWaalsContact O-CB 3.25Å; C89-A93 WeakPolarHBondContact O-CB 3.37Å; C89-A93 PolarHBondContact O-N 3.15Å
90	L	95.8	Very high	95.2	Very high	66 Å²	66	36.4 Å²	36.4	35%	0.346	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-40.5	178.9	-71.1	174	0	0	0	112.3	F62 M86 D87 E88 S94	F62-L90 HydrophobicContact CE2-CD2 4.36Å; F62-L90 HydrophobicContact CZ-CD2 3.77Å; F62-L90 HydrophobicContact CZ-CG 3.97Å; M86-L90 HydrophobicContact CE-CD1 4.25Å; M86-L90 HydrophobicContact CG-CD1 4.25Å; M86-L90 WeakPolarHBondContact O-CG 3.47Å; M86-L90 PolarHBondContact O-N 2.79Å; D87-L90 PolarHBondContact O-N 3.11Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 3.02Å; L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 3.31Å; L90-S94 PolarHBondContact O-N 2.93Å
91	N	96.3	Very high	94.7	Very high	52 Å²	52	37.8 Å²	37.8	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-66.3	-45.3	177.8	-77.6	-14.5	0	0	0	112.2	K8 T9 D87 E88 C89 S94 S95	K8-N91 HydrophobicContact CB-CB 3.77Å; T9-N91 WeakPolarHBondContact OG1-CB 3.42Å; T9-N91 PolarHBondContact OG1-ND2 3.48Å; T9-N91 VanDerWaalsContact OG1-ND2 3.16Å; D87-N91 WeakPolarHBondContact O-CB 3.5Å; D87-N91 VanDerWaalsContact O-CG 3.25Å; D87-N91 PolarHBondContact O-N 2.91Å; E88-N91 PolarHBondContact O-N 3.16Å; C89-N91 PolarHBondContact O-N 3.06Å; N91-S94 PolarHBondContact O-N 2.88Å; N91-S95 WeakPolarHBondContact O-CB 3.49Å; N91-S95 PolarHBondContact O-N 3.09Å; N91-S95 PolarHBondContact O-OG 3.46Å
92	I	96.9	Very high	94.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-50.6	175.6	-67.1	-49.8	0	0	0	110.2	T9 V12 L29 L31 I69 E88 C89 S94 S95 I96	T9-I92 HydrophobicContact CG2-CD1 4.19Å; T9-I92 WeakPolarHBondContact O-CD1 3.34Å; V12-I92 HydrophobicContact CG2-CD1 4.09Å; V12-I92 HydrophobicContact CG2-CG1 4.08Å; L29-I92 HydrophobicContact CD2-CG1 4.46Å; L29-I92 HydrophobicContact CD2-CG2 4.01Å; L31-I92 HydrophobicContact CD1-CD1 3.61Å; L31-I92 HydrophobicContact CD1-CG2 4.3Å; L31-I92 HydrophobicContact CD2-CD1 3.89Å; L31-I92 HydrophobicContact CD2-CG2 4.32Å; L31-I92 HydrophobicContact CG-CD1 4.36Å; I69-I92 HydrophobicContact CD1-CB 4.11Å; I69-I92 HydrophobicContact CD1-CG2 3.73Å; E88-I92 WeakPolarHBondContact O-CB 3.4Å; E88-I92 VanDerWaalsContact O-CG1 3.28Å; E88-I92 WeakPolarHBondContact O-CG1 3.23Å; E88-I92 PolarHBondContact O-N 2.88Å; C89-I92 PolarHBondContact O-N 3.32Å; I92-S94 VanDerWaalsContact C-N 3.34Å; I92-S94 PolarHBondContact O-N 3.31Å; I92-S95 PolarHBondContact O-N 3.39Å; I92-S95 VanDerWaalsContact O-N 3.08Å; I92-I96 HydrophobicContact CG2-CD1 3.77Å; I92-I96 HydrophobicContact CG2-CG1 4.42Å; I92-I96 WeakPolarHBondContact O-CG1 3.19Å; I92-I96 PolarHBondContact O-N 3.45Å
93	A	96.4	Very high	93.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-44.1	-179.3	0	0	0	0	0	112.2	I58 K60 I69 C89 S95 I96 E97	I58-A93 HydrophobicContact CD1-CB 3.75Å; I58-A93 WeakPolarHBondContact CD1-O 3.16Å; K60-A93 HydrophobicContact CD-CB 3.57Å; K60-A93 HydrophobicContact CG-CB 3.96Å; I69-A93 HydrophobicContact CD1-CB 3.95Å; C89-A93 VanDerWaalsContact O-CB 3.25Å; C89-A93 WeakPolarHBondContact O-CB 3.37Å; C89-A93 PolarHBondContact O-N 3.15Å; A93-S95 VanDerWaalsContact C-N 3.3Å; A93-S95 PolarHBondContact O-N 3.48Å; A93-I96 PolarHBondContact O-N 2.95Å; A93-E97 WeakPolarHBondContact O-CG 3.35Å; A93-E97 PolarHBondContact O-N 3.27Å
94	S	96.2	Very high	93	Very high	34 Å²	34	48.1 Å²	48.1	24%	0.238	27%	0.274	C	S	.	.	H	α-helix	trans	-64	-34	175.8	179	0	0	0	0	112.8	K8 L90 N91 I92 A98	K8-S94 PolarHBondContact NZ-OG 3.04Å; L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 3.31Å; L90-S94 PolarHBondContact O-N 2.93Å; N91-S94 PolarHBondContact O-N 2.88Å; I92-S94 VanDerWaalsContact C-N 3.34Å; I92-S94 PolarHBondContact O-N 3.31Å; S94-A98 PolarHBondContact O-N 2.71Å
95	S	96.8	Very high	92.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-41.3	178	-53.3	0	0	0	0	110.7	L6 K8 N91 I92 A93 A98 L99	L6-S95 WeakPolarHBondContact O-CA 3.5Å; L6-S95 WeakPolarHBondContact O-CB 3.38Å; L6-S95 PolarHBondContact O-OG 2.97Å; K8-S95 PolarHBondContact N-OG 2.82Å; N91-S95 WeakPolarHBondContact O-CB 3.49Å; N91-S95 PolarHBondContact O-N 3.09Å; N91-S95 PolarHBondContact O-OG 3.46Å; I92-S95 PolarHBondContact O-N 3.39Å; I92-S95 VanDerWaalsContact O-N 3.08Å; A93-S95 VanDerWaalsContact C-N 3.3Å; A93-S95 PolarHBondContact O-N 3.48Å; S95-A98 PolarHBondContact O-N 3.26Å; S95-L99 WeakPolarHBondContact O-CB 3.46Å; S95-L99 VanDerWaalsContact O-CG 3.29Å; S95-L99 WeakPolarHBondContact O-CG 3.36Å; S95-L99 PolarHBondContact O-N 3.03Å
96	I	96	Very high	92.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-48.2	174.9	-68.8	169.1	0	0	0	110.7	L31 L36 I55 I58 I92 A93 A98 L99 S100	L31-I96 HydrophobicContact CD2-CG1 4.36Å; L36-I96 HydrophobicContact CD1-CD1 4.2Å; L36-I96 HydrophobicContact CD2-CD1 4.02Å; I55-I96 HydrophobicContact CD1-CG2 3.58Å; I55-I96 HydrophobicContact CG2-CG2 4.07Å; I58-I96 HydrophobicContact CD1-CB 4.43Å; I58-I96 HydrophobicContact CD1-CG2 4.38Å; I58-I96 HydrophobicContact CG2-CG2 3.79Å; I92-I96 HydrophobicContact CG2-CD1 3.77Å; I92-I96 HydrophobicContact CG2-CG1 4.42Å; I92-I96 WeakPolarHBondContact O-CG1 3.19Å; I92-I96 PolarHBondContact O-N 3.45Å; A93-I96 PolarHBondContact O-N 2.95Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 PolarHBondContact O-N 3.34Å; I96-L99 PolarHBondContact O-N 3.28Å; I96-S100 WeakPolarHBondContact O-CB 3.49Å; I96-S100 PolarHBondContact O-N 3.47Å; I96-S100 PolarHBondContact O-OG 2.98Å; I96-S100 VanDerWaalsContact O-OG 3.09Å
97	E	94.1	Very high	92.9	Very high	78 Å²	78	45.1 Å²	45.1	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-38.8	178.8	-76.5	166.1	166	0	0	112.5	I58 K60 A93 T101	I58-E97 HydrophobicContact CD1-CG 3.67Å; I58-E97 HydrophobicContact CG1-CG 3.98Å; K60-E97 WeakPolarHBondContact CE-OE1 3.5Å; K60-E97 IonicContact NZ-OE1 3.66Å; K60-E97 PolarHBondContact NZ-OE1 2.92Å; K60-E97 IonicContact NZ-OE2 3.51Å; K60-E97 PolarHBondContact NZ-OE2 2.93Å; A93-E97 WeakPolarHBondContact O-CG 3.35Å; A93-E97 PolarHBondContact O-N 3.27Å; E97-T101 PolarHBondContact O-OG1 2.76Å
98	A	93.6	Very high	92.9	Very high	33 Å²	33	41.3 Å²	41.3	27%	0.273	24%	0.236	S	C	.	.	H	α-helix	trans	-71.9	-40.6	178.4	0	0	0	0	0	112.5	L6 S94 S95 I96	L6-A98 HydrophobicContact CB-CB 4.36Å; L6-A98 HydrophobicContact CD2-CB 4.26Å; S94-A98 PolarHBondContact O-N 2.71Å; S95-A98 PolarHBondContact O-N 3.26Å; I96-A98 VanDerWaalsContact C-N 3.27Å; I96-A98 PolarHBondContact O-N 3.34Å
99	L	94.1	Very high	93	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-81	-26.6	-176.3	-67.7	168.7	0	0	0	113.6	F3 L6 I7 H52 S95 I96 T101 L102	F3-L99 HydrophobicContact CB-CD2 4.44Å; F3-L99 HydrophobicContact CD1-CD2 4.04Å; L6-L99 HydrophobicContact CB-CD2 3.95Å; L6-L99 HydrophobicContact CB-CG 4.27Å; L6-L99 HydrophobicContact CD1-CD2 3.73Å; L6-L99 HydrophobicContact CG-CD2 4.5Å; I7-L99 HydrophobicContact CD1-CD1 4.35Å; I7-L99 HydrophobicContact CG1-CD1 3.86Å; H52-L99 HydrophobicContact CB-CB 4.02Å; H52-L99 WeakPolarHBondContact NE2-CD1 3.43Å; S95-L99 WeakPolarHBondContact O-CB 3.46Å; S95-L99 VanDerWaalsContact O-CG 3.29Å; S95-L99 WeakPolarHBondContact O-CG 3.36Å; S95-L99 PolarHBondContact O-N 3.03Å; I96-L99 PolarHBondContact O-N 3.28Å; L99-T101 VanDerWaalsContact C-N 3.29Å; L99-L102 HydrophobicContact CD2-CD1 4.45Å; L99-L102 WeakPolarHBondContact O-CD1 3.47Å; L99-L102 WeakPolarHBondContact O-CG 3.3Å
100	S	92.3	Very high	93.1	Very high	25 Å²	25	39.9 Å²	39.9	18%	0.175	23%	0.228	C	C	.	.	H	α-helix	trans	-77.6	-15.5	177.4	67.3	0	0	0	0	113.7	H52 I96	H52-S100 WeakPolarHBondContact O-CA 3.29Å; H52-S100 WeakPolarHBondContact O-CB 3.49Å; I96-S100 WeakPolarHBondContact O-CB 3.49Å; I96-S100 PolarHBondContact O-N 3.47Å; I96-S100 PolarHBondContact O-OG 2.98Å; I96-S100 VanDerWaalsContact O-OG 3.09Å
101	T	86.6	Confident	93.1	Very high	92 Å²	92	38.3 Å²	38.3	56%	0.564	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113	21.4	-174.7	58	0	0	0	0	113.6	E97 L99 D103	E97-T101 PolarHBondContact O-OG1 2.76Å; L99-T101 VanDerWaalsContact C-N 3.29Å; T101-D103 PolarHBondContact O-N 2.82Å
102	L	85.6	Confident	93.1	Very high	39 Å²	39	40 Å²	40	20%	0.204	22%	0.223	C	C	.	.			trans	-59.3	121.3	178.7	-67.7	168.9	0	0	0	111.6	F3 L6 L99	F3-L102 HydrophobicContact CD1-CD1 4.33Å; F3-L102 HydrophobicContact CE1-CD1 3.8Å; L6-L102 HydrophobicContact CD1-CD2 3.86Å; L99-L102 HydrophobicContact CD2-CD1 4.45Å; L99-L102 WeakPolarHBondContact O-CD1 3.47Å; L99-L102 WeakPolarHBondContact O-CG 3.3Å
103	D	79.8	Confident	93.1	Very high	165 Å²	165	41.4 Å²	41.4	88%	0.882	23%	0.229	S	C	*	.			trans	-74.9	-26.7	-177.6	-71.1	-38.8	0	0	0	113.6	T101	T101-D103 PolarHBondContact O-N 2.82Å
104	S	89.8	Confident	93	Very high	46 Å²	46	51 Å²	51	32%	0.322	27%	0.265	S	S	.	.			trans	-89.2	115.5	-173.8	-174.7	0	0	0	0	112.2	S106 L107	S104-S106 PolarHBondContact O-N 2.64Å; S104-S106 PolarHBondContact OG-OG 2.91Å; S104-S106 VanDerWaalsContact OG-OG 3.08Å; S104-L107 WeakPolarHBondContact O-CB 3.28Å; S104-L107 PolarHBondContact O-N 3.16Å
105	V	91.6	Very high	92.7	Very high	26 Å²	26	51.7 Å²	51.7	16%	0.158	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-58.3	-35.8	177	-178.2	0	0	0	0	112	L107 M108 F111 Q377 L438 L448	V105-L107 PolarHBondContact O-N 3.19Å; V105-M108 HydrophobicContact CG1-SD 4.31Å; V105-M108 HydrophobicContact CG2-CE 4.35Å; V105-M108 VanDerWaalsContact O-CB 3.28Å; V105-M108 WeakPolarHBondContact O-CB 3.29Å; V105-M108 WeakPolarHBondContact O-CG 3.45Å; V105-M108 PolarHBondContact O-N 3.06Å; V105-M108 VanDerWaalsContact O-N 3.08Å; V105-F111 HydrophobicContact CG1-CE2 4.14Å; V105-F111 VanDerWaalsContact O-CD2 3.31Å; V105-F111 WeakPolarHBondContact O-CD2 3.4Å; V105-F111 WeakPolarHBondContact O-CE2 3.47Å; V105-Q377 HydrophobicContact CG2-CG 3.99Å; V105-L438 HydrophobicContact CG1-CB 4.37Å; V105-L438 HydrophobicContact CG1-CD1 4.17Å; V105-L448 HydrophobicContact CB-CD1 4.37Å; V105-L448 HydrophobicContact CB-CD2 4.48Å; V105-L448 HydrophobicContact CG1-CD1 3.78Å; V105-L448 HydrophobicContact CG1-CD2 4.47Å
106	S	92.2	Very high	92.4	Very high	57 Å²	57	60.9 Å²	60.9	40%	0.399	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-69.4	-14.7	179.6	65.6	0	0	0	0	113.9	S104	S104-S106 PolarHBondContact O-N 2.64Å; S104-S106 PolarHBondContact OG-OG 2.91Å; S104-S106 VanDerWaalsContact OG-OG 3.08Å
107	L	93	Very high	92.2	Very high	39 Å²	39	62.2 Å²	62.2	20%	0.204	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-89.9	-5.2	174.8	-63.4	-176.8	0	0	0	112.5	E2 F3 H34 S104 V105	E2-L107 WeakPolarHBondContact OE2-CD2 3.39Å; F3-L107 HydrophobicContact CE1-CB 4.12Å; F3-L107 HydrophobicContact CZ-CB 3.95Å; F3-L107 HydrophobicContact CZ-CD2 4.2Å; F3-L107 WeakPolarHBondContact CZ-O 3.19Å; H34-L107 PolarHBondContact NE2-O 3.47Å; S104-L107 WeakPolarHBondContact O-CB 3.28Å; S104-L107 PolarHBondContact O-N 3.16Å; V105-L107 PolarHBondContact O-N 3.19Å
108	M	94.6	Very high	92	Very high	32 Å²	32	66.1 Å²	66.1	16%	0.158	34%	0.338	C	S	.	.	S	Bend	trans	-72.4	154.2	179.4	-61.7	-174.5	177.5	0	0	111.9	V105 P110 F111 F112 Q377 L438	V105-M108 HydrophobicContact CG1-SD 4.31Å; V105-M108 HydrophobicContact CG2-CE 4.35Å; V105-M108 VanDerWaalsContact O-CB 3.28Å; V105-M108 WeakPolarHBondContact O-CB 3.29Å; V105-M108 WeakPolarHBondContact O-CG 3.45Å; V105-M108 PolarHBondContact O-N 3.06Å; V105-M108 VanDerWaalsContact O-N 3.08Å; M108-P110 VanDerWaalsContact C-N 3.31Å; M108-P110 VanDerWaalsContact O-N 3.13Å; M108-F111 PolarHBondContact O-N 3.46Å; M108-F111 VanDerWaalsContact O-N 3.16Å; M108-F112 WeakPolarHBondContact O-CD2 3.4Å; M108-Q377 VanDerWaalsContact CE-NE2 3.33Å; M108-L438 HydrophobicContact SD-CD2 3.97Å
109	Y	96	Very high	91.8	Very high	46 Å²	46	67.7 Å²	67.7	18%	0.18	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-53.1	-35.4	-173.3	-173.8	-129.9	0	0	0	115.6	H34 H35 L51 F111 F112 Y113 Q433	H34-Y109 HydrophobicContact CB-CD2 3.7Å; H34-Y109 HydrophobicContact CB-CG 4.01Å; H34-Y109 PolarHBondContact CD2-N 3.22Å; H34-Y109 AromaticContact CG-CD2 3.65Å; H34-Y109 AromaticContact ND1-CD2 3.84Å; H35-Y109 AromaticContact CE1-CD1 3.74Å; H35-Y109 AromaticContact CE1-CD2 3.73Å; H35-Y109 AromaticContact CE1-CE1 3.45Å; H35-Y109 VanDerWaalsContact CE1-CE1 3.45Å; H35-Y109 WeakPolarHBondContact CE1-CE1 3.25Å; H35-Y109 AromaticContact CE1-CE2 3.48Å; H35-Y109 VanDerWaalsContact CE1-CE2 3.48Å; H35-Y109 WeakPolarHBondContact CE1-CE2 3.24Å; H35-Y109 AromaticContact CE1-CG 3.86Å; H35-Y109 AromaticContact CE1-CZ 3.31Å; H35-Y109 AromaticContact NE2-CD1 3.98Å; H35-Y109 AromaticContact NE2-CE1 3.63Å; H35-Y109 AromaticContact NE2-CZ 3.87Å; L51-Y109 HydrophobicContact CD2-CD1 3.55Å; L51-Y109 HydrophobicContact CD2-CE1 4.29Å; L51-Y109 HydrophobicContact CD2-CG 3.87Å; Y109-F111 PolarHBondContact O-N 2.73Å; Y109-F112 HydrophobicContact CD2-CB 4.32Å; Y109-F112 CarbonylContact O-C 3.47Å; Y109-F112 WeakPolarHBondContact O-CA 3.48Å; Y109-F112 PolarHBondContact O-N 2.86Å; Y109-Y113 AromaticContact CE1-CD2 3.66Å; Y109-Y113 HydrophobicContact CE1-CD2 3.66Å; Y109-Y113 HydrophobicContact CE1-CE2 4.46Å; Y109-Y113 HydrophobicContact CE1-CG 4.24Å; Y109-Y113 AromaticContact CZ-CD2 3.64Å; Y109-Y113 PolarHBondContact O-N 2.85Å; Y109-Y113 WeakPolarHBondContact OH-CD2 3.36Å; Y109-Q433 HydrophobicContact CD1-CB 3.64Å; Y109-Q433 HydrophobicContact CE1-CB 3.56Å
110	P	97.1	Very high	91.5	Very high	3 Å²	3	73.5 Å²	73.5	2%	0.019	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-55.1	-26.2	179.1	-31.5	39.5	0	0	0	115.9	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 3.33Å; P110-S432 VanDerWaalsContact CG-O 3.27Å; P110-S432 WeakPolarHBondContact CG-O 3.3Å; P110-Q433 WeakPolarHBondContact CA-O 3.5Å; P110-F434 WeakPolarHBondContact CG-O 3.37Å; P110-L438 HydrophobicContact CB-CD1 3.79Å; P110-L438 HydrophobicContact CG-CD1 3.81Å; P110-L438 HydrophobicContact CG-CG 4.35Å; P110-T454 HydrophobicContact CB-CG2 4.04Å; P110-T454 WeakPolarHBondContact O-CG2 3.24Å
111	F	96.8	Very high	91.5	Very high	33 Å²	33	75 Å²	75	15%	0.145	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-79	-16	175.9	-69.6	-88.7	0	0	0	113.7	V105 M108 Y109 L438 L448 L450 K453 T454	V105-F111 HydrophobicContact CG1-CE2 4.14Å; V105-F111 VanDerWaalsContact O-CD2 3.31Å; V105-F111 WeakPolarHBondContact O-CD2 3.4Å; V105-F111 WeakPolarHBondContact O-CE2 3.47Å; M108-F111 PolarHBondContact O-N 3.46Å; M108-F111 VanDerWaalsContact O-N 3.16Å; Y109-F111 PolarHBondContact O-N 2.73Å; F111-L438 HydrophobicContact CD2-CD1 4.37Å; F111-L438 HydrophobicContact CE2-CD1 3.75Å; F111-L448 HydrophobicContact CZ-CB 4.26Å; F111-L448 HydrophobicContact CZ-CD2 4.22Å; F111-L450 HydrophobicContact CE1-CD2 4.21Å; F111-L450 HydrophobicContact CE2-CD2 4.23Å; F111-L450 HydrophobicContact CZ-CD2 3.55Å; F111-K453 HydrophobicContact CD1-CB 3.86Å; F111-K453 HydrophobicContact CD1-CD 4.21Å; F111-K453 HydrophobicContact CE1-CB 3.99Å; F111-K453 HydrophobicContact CE1-CD 4.11Å; F111-T454 HydrophobicContact CD1-CG2 3.97Å; F111-T454 HydrophobicContact CD2-CG2 4.32Å; F111-T454 HydrophobicContact CE1-CG2 4.04Å; F111-T454 HydrophobicContact CE2-CG2 4.37Å; F111-T454 HydrophobicContact CG-CG2 4.12Å; F111-T454 HydrophobicContact CZ-CG2 4.24Å
112	F	95.9	Very high	91.9	Very high	87 Å²	87	73.8 Å²	73.8	38%	0.382	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-15.4	179.8	-61.4	-93.1	0	0	0	112.2	F3 H34 M108 Y109 P110 R114	F3-F112 HydrophobicContact CE2-CE2 4.46Å; F3-F112 HydrophobicContact CE2-CZ 4.13Å; F3-F112 HydrophobicContact CZ-CE2 4.41Å; F3-F112 HydrophobicContact CZ-CZ 4.37Å; H34-F112 AromaticContact CE1-CD2 3.37Å; H34-F112 WeakPolarHBondContact CE1-CD2 3.35Å; H34-F112 AromaticContact CE1-CE2 3.86Å; H34-F112 AromaticContact CE1-CG 3.55Å; H34-F112 AromaticContact NE2-CD2 3.5Å; H34-F112 AromaticContact NE2-CE2 3.82Å; M108-F112 WeakPolarHBondContact O-CD2 3.4Å; Y109-F112 HydrophobicContact CD2-CB 4.32Å; Y109-F112 CarbonylContact O-C 3.47Å; Y109-F112 WeakPolarHBondContact O-CA 3.48Å; Y109-F112 PolarHBondContact O-N 2.86Å; P110-F112 VanDerWaalsContact C-N 3.33Å; F112-R114 PolarHBondContact O-N 2.74Å
113	Y	96.5	Very high	92.4	Very high	30 Å²	30	72 Å²	72	12%	0.118	36%	0.359	C	S	.	.			trans	-62.8	131.2	-179.1	-179.8	-119.3	0	0	0	111.4	Y109 P115 Q433 F434 V455	Y109-Y113 AromaticContact CE1-CD2 3.66Å; Y109-Y113 HydrophobicContact CE1-CD2 3.66Å; Y109-Y113 HydrophobicContact CE1-CE2 4.46Å; Y109-Y113 HydrophobicContact CE1-CG 4.24Å; Y109-Y113 AromaticContact CZ-CD2 3.64Å; Y109-Y113 PolarHBondContact O-N 2.85Å; Y109-Y113 WeakPolarHBondContact OH-CD2 3.36Å; Y113-P115 HydrophobicContact CE1-CB 4.03Å; Y113-Q433 WeakPolarHBondContact CB-O 3.36Å; Y113-Q433 HydrophobicContact CD1-CB 4.18Å; Y113-Q433 HydrophobicContact CD1-CG 4.25Å; Y113-Q433 WeakPolarHBondContact CD1-O 3.44Å; Y113-Q433 HydrophobicContact CD2-CB 3.89Å; Y113-Q433 HydrophobicContact CD2-CG 4.36Å; Y113-Q433 HydrophobicContact CE1-CB 4.4Å; Y113-Q433 HydrophobicContact CE1-CG 4.01Å; Y113-Q433 HydrophobicContact CE2-CB 4.11Å; Y113-Q433 HydrophobicContact CE2-CG 4.12Å; Y113-Q433 HydrophobicContact CG-CB 3.9Å; Y113-Q433 HydrophobicContact CG-CG 4.41Å; Y113-F434 HydrophobicContact CE1-CD1 4.31Å; Y113-F434 AromaticContact CE1-CE1 3.85Å; Y113-F434 HydrophobicContact CE1-CE1 3.85Å; Y113-F434 HydrophobicContact CE1-CZ 4.49Å; Y113-V455 HydrophobicContact CD1-CB 4.4Å; Y113-V455 HydrophobicContact CD1-CG2 4.25Å
114	R	94.1	Very high	93.2	Very high	202 Å²	202	65.6 Å²	65.6	76%	0.762	32%	0.323	S	S	*	.			trans	-117.8	114.8	172.1	-61.4	-61.7	-178.7	177.5	-3	107.5	F112 M116	F112-R114 PolarHBondContact O-N 2.74Å; R114-M116 PolarHBondContact O-N 2.91Å
115	P	90.8	Very high	93.4	Very high	47 Å²	47	68 Å²	68	31%	0.305	33%	0.332	S	S	.	.			trans	-64.9	131.9	-177.4	27.8	-33.3	0	0	0	109.6	Y113 F117 V455	Y113-P115 HydrophobicContact CE1-CB 4.03Å; P115-F117 HydrophobicContact CB-CD1 3.79Å; P115-F117 HydrophobicContact CB-CE1 3.52Å; P115-F117 HydrophobicContact CB-CE2 4.36Å; P115-F117 HydrophobicContact CB-CG 4.31Å; P115-F117 HydrophobicContact CB-CZ 3.83Å; P115-F117 PolarHBondContact O-N 3.45Å; P115-V455 HydrophobicContact CB-CG2 4.41Å; P115-V455 HydrophobicContact CG-CG2 3.87Å
116	M	89.9	Confident	93.5	Very high	194 Å²	194	68.1 Å²	68.1	96%	0.956	33%	0.334	S	S	*	.	S	Bend	trans	-88.9	17.1	172.7	-62.4	-163.4	-66.9	0	0	112.2	R114	R114-M116 PolarHBondContact O-N 2.91Å
117	F	91.6	Very high	93.6	Very high	28 Å²	28	66.7 Å²	66.7	12%	0.123	32%	0.321	C	S	.	.	S	Bend	trans	-126.3	155.3	179.3	63.9	-94	0	0	0	110.7	P115 V119 F434 V455 W460	P115-F117 HydrophobicContact CB-CD1 3.79Å; P115-F117 HydrophobicContact CB-CE1 3.52Å; P115-F117 HydrophobicContact CB-CE2 4.36Å; P115-F117 HydrophobicContact CB-CG 4.31Å; P115-F117 HydrophobicContact CB-CZ 3.83Å; P115-F117 PolarHBondContact O-N 3.45Å; F117-V119 HydrophobicContact CD2-CG2 4.38Å; F117-V119 HydrophobicContact CE2-CG2 3.87Å; F117-F434 HydrophobicContact CE1-CE1 4.23Å; F117-F434 HydrophobicContact CE1-CZ 4.46Å; F117-F434 HydrophobicContact CZ-CE1 4.18Å; F117-V455 HydrophobicContact CZ-CG1 4.22Å; F117-W460 AromaticContact CD1-CD1 3.92Å; F117-W460 HydrophobicContact CE1-CB 4.06Å; F117-W460 AromaticContact CE1-CD1 3.65Å; F117-W460 HydrophobicContact CE1-CG 4.19Å; F117-W460 HydrophobicContact CE2-CB 4.27Å; F117-W460 HydrophobicContact CZ-CB 3.65Å; F117-W460 HydrophobicContact CZ-CG 4.25Å
118	E	89.3	Confident	93.6	Very high	160 Å²	160	68 Å²	68	75%	0.748	33%	0.327	S	S	*	.			trans	-74.7	125.6	172.4	-173.3	176.2	-174.9	0	0	110.5	I120	E118-I120 PolarHBondContact O-N 3.31Å
119	V	89.3	Confident	93.6	Very high	66 Å²	66	67.9 Å²	67.9	40%	0.4	33%	0.329	S	S	.	.			trans	-80.2	98.1	176	178.9	0	0	0	0	108.5	F117 E121	F117-V119 HydrophobicContact CD2-CG2 4.38Å; F117-V119 HydrophobicContact CE2-CG2 3.87Å; V119-E121 WeakPolarHBondContact CG1-O 3.36Å
120	I	89.8	Confident	93.5	Very high	127 Å²	127	71.7 Å²	71.7	65%	0.651	34%	0.343	S	S	*	.	S	Bend	trans	-76.8	-42.3	178.3	-55.5	170.8	0	0	0	110.7	E118	E118-I120 PolarHBondContact O-N 3.31Å
121	E	91.4	Very high	93.3	Very high	56 Å²	56	74.4 Å²	74.4	26%	0.262	36%	0.357	S	S	.	.	S	Bend	trans	-122.2	128.9	177.8	-176	178.4	166.9	0	0	109.4	V119 G123 S126 K359 S459	V119-E121 WeakPolarHBondContact CG1-O 3.36Å; E121-G123 PolarHBondContact O-N 2.8Å; E121-S126 WeakPolarHBondContact OE1-CB 3.47Å; E121-S126 PolarHBondContact OE1-OG 2.93Å; E121-K359 IonicContact OE1-NZ 3.77Å; E121-K359 PolarHBondContact OE1-NZ 3.19Å; E121-K359 IonicContact OE2-NZ 2.67Å; E121-K359 PolarHBondContact OE2-NZ 3.44Å; E121-S459 WeakPolarHBondContact O-CA 3.43Å; E121-S459 WeakPolarHBondContact O-CB 3.47Å; E121-S459 PolarHBondContact O-OG 2.99Å
122	D	94.2	Very high	93	Very high	67 Å²	67	74.6 Å²	74.6	36%	0.358	37%	0.365	S	S	.	.			trans	-82.9	100.5	174.2	-179.9	13	0	0	0	110.9	W124 N125 S126	D122-W124 PolarHBondContact O-N 3.36Å; D122-W124 VanDerWaalsContact O-N 3.12Å; D122-W124 WeakPolarHBondContact OD1-CB 3.45Å; D122-W124 PolarHBondContact OD1-N 3.07Å; D122-N125 PolarHBondContact O-N 2.78Å; D122-N125 PolarHBondContact OD2-ND2 3.19Å; D122-S126 PolarHBondContact O-N 3.26Å; D122-S126 PolarHBondContact O-OG 3.08Å
123	G	96	Very high	92.9	Very high	1 Å²	1	71.1 Å²	71.1	1%	0.01	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.6	179.8	0	0	0	0	0	114.9	E121 N125 S459	E121-G123 PolarHBondContact O-N 2.8Å; G123-N125 VanDerWaalsContact C-N 3.3Å; G123-S459 PolarHBondContact N-OG 2.77Å
124	W	96.3	Very high	92.8	Very high	31 Å²	31	75.4 Å²	75.4	12%	0.117	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-26.6	173.1	-71	118.8	0	0	0	112.6	D122 L450 P451 T454	D122-W124 PolarHBondContact O-N 3.36Å; D122-W124 VanDerWaalsContact O-N 3.12Å; D122-W124 WeakPolarHBondContact OD1-CB 3.45Å; D122-W124 PolarHBondContact OD1-N 3.07Å; W124-L450 HydrophobicContact CH2-CB 3.78Å; W124-L450 HydrophobicContact CH2-CD1 4.4Å; W124-L450 HydrophobicContact CZ2-CB 4.04Å; W124-L450 HydrophobicContact CZ3-CB 4.43Å; W124-P451 HydrophobicContact CB-CB 4.1Å; W124-P451 HydrophobicContact CD2-CB 4.09Å; W124-P451 HydrophobicContact CD2-CG 4.12Å; W124-P451 HydrophobicContact CE3-CG 4.05Å; W124-P451 HydrophobicContact CG-CB 3.9Å; W124-P451 HydrophobicContact CG-CG 4.38Å; W124-T454 VanDerWaalsContact CZ2-OG1 3.3Å; W124-T454 WeakPolarHBondContact CZ2-OG1 3.48Å; W124-T454 PolarHBondContact NE1-O 3.1Å
125	N	95.1	Very high	92.7	Very high	95 Å²	95	70.8 Å²	70.8	51%	0.508	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-3.9	-177.9	-73.8	-55	0	0	0	113.4	D122 G123 F127	D122-N125 PolarHBondContact O-N 2.78Å; D122-N125 PolarHBondContact OD2-ND2 3.19Å; G123-N125 VanDerWaalsContact C-N 3.3Å; N125-F127 PolarHBondContact O-N 2.62Å
126	S	93.8	Very high	92.9	Very high	30 Å²	30	69 Å²	69	21%	0.21	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.6	-178.8	-62.4	0	0	0	0	115	E121 D122	E121-S126 WeakPolarHBondContact OE1-CB 3.47Å; E121-S126 PolarHBondContact OE1-OG 2.93Å; D122-S126 PolarHBondContact O-N 3.26Å; D122-S126 PolarHBondContact O-OG 3.08Å
127	F	94.8	Very high	93.1	Very high	27 Å²	27	65.2 Å²	65.2	12%	0.118	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134	46.5	-167.6	-55.3	-67	0	0	0	113.5	N125 K359 Q362 E366 Q371 W458	N125-F127 PolarHBondContact O-N 2.62Å; F127-K359 WeakPolarHBondContact CE1-O 3.26Å; F127-Q362 HydrophobicContact CE1-CB 4.16Å; F127-Q362 HydrophobicContact CE2-CB 3.68Å; F127-Q362 HydrophobicContact CZ-CB 3.45Å; F127-Q362 VanDerWaalsContact CZ-CB 3.45Å; F127-Q362 HydrophobicContact CZ-CG 4.43Å; F127-Q362 VanDerWaalsContact CZ-OE1 3.24Å; F127-E366 HydrophobicContact CB-CB 3.84Å; F127-E366 HydrophobicContact CB-CG 3.83Å; F127-E366 HydrophobicContact CD2-CG 3.78Å; F127-E366 HydrophobicContact CG-CB 4.35Å; F127-E366 HydrophobicContact CG-CG 4.04Å; F127-Q371 PolarHBondContact O-NE2 3.2Å; F127-W458 AromaticContact CD2-CD1 3.83Å; F127-W458 HydrophobicContact CD2-CG 4.46Å; F127-W458 HydrophobicContact CE2-CB 4.22Å; F127-W458 AromaticContact CE2-CD1 3.75Å; F127-W458 AromaticContact CE2-CG 3.94Å; F127-W458 HydrophobicContact CE2-CG 3.94Å
128	L	93.3	Very high	93.2	Very high	66 Å²	66	68.5 Å²	68.5	35%	0.346	35%	0.354	S	S	.	.			trans	-71.3	144.5	-177.2	-60.9	175.5	0	0	0	112	R130 D131 A132	L128-R130 PolarHBondContact O-N 2.8Å; L128-R130 VanDerWaalsContact O-N 3.1Å; L128-D131 PolarHBondContact O-N 2.85Å; L128-A132 PolarHBondContact O-N 2.89Å
129	P	92.8	Very high	93.4	Very high	30 Å²	30	63.9 Å²	63.9	20%	0.195	33%	0.333	C	S	.	.	H	α-helix	trans	-54	-33.7	177.4	-25.7	30.3	0	0	0	114.1	F133 L161	P129-F133 WeakPolarHBondContact O-CB 3.47Å; P129-F133 PolarHBondContact O-N 3.04Å; P129-L161 HydrophobicContact CB-CB 4.22Å
130	R	94.7	Very high	93.6	Very high	125 Å²	125	61.5 Å²	61.5	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-66	-37.9	178.9	-66.7	-171.1	-174.2	-82.6	-0.2	111.9	L128 F133 K134 L145 E147 L161	L128-R130 PolarHBondContact O-N 2.8Å; L128-R130 VanDerWaalsContact O-N 3.1Å; R130-F133 PolarHBondContact O-N 3.4Å; R130-K134 WeakPolarHBondContact O-CG 3.49Å; R130-K134 PolarHBondContact O-N 2.71Å; R130-K134 VanDerWaalsContact O-N 3.08Å; R130-L145 HydrophobicContact CG-CD2 3.85Å; R130-E147 IonicContact CZ-OE1 2.83Å; R130-E147 IonicContact NH1-OE1 2.71Å; R130-E147 IonicContact NH2-OE1 3.26Å; R130-E147 PolarHBondContact NH2-OE1 3.27Å; R130-L161 HydrophobicContact CG-CD1 3.61Å
131	D	92.1	Very high	93.9	Very high	60 Å²	60	61.1 Å²	61.1	32%	0.321	32%	0.318	S	S	.	.	H	α-helix	trans	-73.6	-42.8	-178.8	-61.8	-43.1	0	0	0	111.1	L128 F133 K134	L128-D131 PolarHBondContact O-N 2.85Å; D131-F133 PolarHBondContact O-N 3.12Å; D131-K134 WeakPolarHBondContact O-CB 3.21Å; D131-K134 PolarHBondContact O-N 3.2Å; D131-K134 VanDerWaalsContact O-N 3.13Å; D131-K134 IonicContact OD1-NZ 3.95Å; D131-K134 PolarHBondContact OD1-NZ 2.9Å
132	A	90.3	Very high	94.1	Very high	38 Å²	38	62.2 Å²	62.2	31%	0.314	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-32	170.9	0	0	0	0	0	112.5	L128	L128-A132 PolarHBondContact O-N 2.89Å
133	F	95.3	Very high	94.3	Very high	13 Å²	13	60 Å²	60	6%	0.057	31%	0.31	C	S	.	.	H	α-helix	trans	-74.3	-31.7	176.8	-168.2	-105.1	0	0	0	113.2	P129 R130 D131 D135 L136 E137 W143 R144 L145 A163	P129-F133 WeakPolarHBondContact O-CB 3.47Å; P129-F133 PolarHBondContact O-N 3.04Å; R130-F133 PolarHBondContact O-N 3.4Å; D131-F133 PolarHBondContact O-N 3.12Å; F133-D135 VanDerWaalsContact C-N 3.26Å; F133-D135 PolarHBondContact O-N 2.89Å; F133-L136 HydrophobicContact CD2-CB 4.43Å; F133-L136 HydrophobicContact CD2-CD2 3.93Å; F133-L136 HydrophobicContact CE2-CD2 3.7Å; F133-L136 CarbonylContact O-C 3.56Å; F133-L136 WeakPolarHBondContact O-CA 3.28Å; F133-L136 WeakPolarHBondContact O-CB 3.09Å; F133-L136 PolarHBondContact O-N 3.23Å; F133-E137 HydrophobicContact CD1-CG 3.67Å; F133-E137 VanDerWaalsContact CE1-CD 3.45Å; F133-E137 HydrophobicContact CE1-CG 3.34Å; F133-E137 WeakPolarHBondContact CE1-OE1 3.43Å; F133-E137 HydrophobicContact CZ-CG 3.98Å; F133-E137 PolarHBondContact O-N 2.96Å; F133-W143 HydrophobicContact CE2-CB 4.11Å; F133-W143 HydrophobicContact CZ-CB 4.3Å; F133-R144 VanDerWaalsContact CZ-CA 3.45Å; F133-L145 HydrophobicContact CB-CD1 4.27Å; F133-L145 HydrophobicContact CD1-CB 4Å; F133-L145 HydrophobicContact CD2-CD1 4.13Å; F133-L145 HydrophobicContact CE1-CB 4.02Å; F133-L145 HydrophobicContact CG-CB 4.28Å; F133-L145 HydrophobicContact CG-CD1 4.09Å; F133-L145 HydrophobicContact CZ-CB 4.38Å; F133-A163 HydrophobicContact CD2-CB 3.92Å; F133-A163 HydrophobicContact CE2-CB 3.96Å
134	K	94.5	Very high	94.4	Very high	121 Å²	121	62.4 Å²	62.4	53%	0.526	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-39.5	174.4	-71.7	170.1	-173.5	159.9	0	111.7	R130 D131 L136 E137 S138	R130-K134 WeakPolarHBondContact O-CG 3.49Å; R130-K134 PolarHBondContact O-N 2.71Å; R130-K134 VanDerWaalsContact O-N 3.08Å; D131-K134 WeakPolarHBondContact O-CB 3.21Å; D131-K134 PolarHBondContact O-N 3.2Å; D131-K134 VanDerWaalsContact O-N 3.13Å; D131-K134 IonicContact OD1-NZ 3.95Å; D131-K134 PolarHBondContact OD1-NZ 2.9Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 3.1Å; K134-E137 PolarHBondContact O-N 3.25Å; K134-S138 PolarHBondContact O-N 3.41Å
135	D	91.1	Very high	94.4	Very high	104 Å²	104	62.8 Å²	62.8	56%	0.556	32%	0.323	S	S	*	.	H	α-helix	trans	-60.4	-41.9	174.2	-70.6	-23.4	0	0	0	110.8	F133 S138 M139	F133-D135 VanDerWaalsContact C-N 3.26Å; F133-D135 PolarHBondContact O-N 2.89Å; D135-S138 PolarHBondContact O-N 3.49Å; D135-S138 PolarHBondContact O-OG 2.87Å; D135-M139 VanDerWaalsContact O-CE 3.31Å; D135-M139 WeakPolarHBondContact O-CE 3.28Å; D135-M139 WeakPolarHBondContact O-CG 3.28Å
136	L	94.9	Very high	94.6	Very high	11 Å²	11	58.2 Å²	58.2	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-45.3	175.4	-176.5	65.5	0	0	0	113	F133 K134 S138 M139 T140 W143 L188 Y191	F133-L136 HydrophobicContact CD2-CB 4.43Å; F133-L136 HydrophobicContact CD2-CD2 3.93Å; F133-L136 HydrophobicContact CE2-CD2 3.7Å; F133-L136 CarbonylContact O-C 3.56Å; F133-L136 WeakPolarHBondContact O-CA 3.28Å; F133-L136 WeakPolarHBondContact O-CB 3.09Å; F133-L136 PolarHBondContact O-N 3.23Å; K134-L136 VanDerWaalsContact C-N 3.28Å; K134-L136 PolarHBondContact O-N 3.1Å; L136-S138 PolarHBondContact O-N 3.42Å; L136-M139 HydrophobicContact CB-CE 4.45Å; L136-M139 HydrophobicContact CD1-CE 4.08Å; L136-M139 WeakPolarHBondContact O-CA 3.43Å; L136-M139 WeakPolarHBondContact O-CB 3.23Å; L136-M139 PolarHBondContact O-N 3.19Å; L136-T140 HydrophobicContact CD1-CG2 3.74Å; L136-T140 HydrophobicContact CG-CG2 4.14Å; L136-T140 PolarHBondContact O-N 2.89Å; L136-W143 HydrophobicContact CD2-CB 3.8Å; L136-W143 HydrophobicContact CD2-CD2 4.49Å; L136-W143 HydrophobicContact CD2-CG 3.94Å; L136-L188 HydrophobicContact CD1-CD2 4.24Å; L136-L188 HydrophobicContact CD2-CD2 3.31Å; L136-L188 HydrophobicContact CG-CD2 4.43Å; L136-Y191 HydrophobicContact CD1-CD1 3.94Å; L136-Y191 HydrophobicContact CD1-CD2 4.03Å; L136-Y191 HydrophobicContact CD1-CG 3.56Å
137	E	94.3	Very high	94.8	Very high	113 Å²	113	60.8 Å²	60.8	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-59.5	-32.9	177.4	-74.3	-175.2	146.7	0	0	112.1	F133 K134 M139	F133-E137 HydrophobicContact CD1-CG 3.67Å; F133-E137 VanDerWaalsContact CE1-CD 3.45Å; F133-E137 HydrophobicContact CE1-CG 3.34Å; F133-E137 WeakPolarHBondContact CE1-OE1 3.43Å; F133-E137 HydrophobicContact CZ-CG 3.98Å; F133-E137 PolarHBondContact O-N 2.96Å; K134-E137 PolarHBondContact O-N 3.25Å; E137-M139 PolarHBondContact O-N 3.46Å
138	S	93.6	Very high	94.9	Very high	98 Å²	98	59.7 Å²	59.7	69%	0.685	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.8	174.7	81.1	0	0	0	0	113.5	K134 D135 L136	K134-S138 PolarHBondContact O-N 3.41Å; D135-S138 PolarHBondContact O-N 3.49Å; D135-S138 PolarHBondContact O-OG 2.87Å; L136-S138 PolarHBondContact O-N 3.42Å
139	M	93.3	Very high	95.1	Very high	62 Å²	62	56.6 Å²	56.6	31%	0.305	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-26.6	-174.6	-59.3	-177.1	-69.7	0	0	113.7	D135 L136 E137 Y191 K193	D135-M139 VanDerWaalsContact O-CE 3.31Å; D135-M139 WeakPolarHBondContact O-CE 3.28Å; D135-M139 WeakPolarHBondContact O-CG 3.28Å; L136-M139 HydrophobicContact CB-CE 4.45Å; L136-M139 HydrophobicContact CD1-CE 4.08Å; L136-M139 WeakPolarHBondContact O-CA 3.43Å; L136-M139 WeakPolarHBondContact O-CB 3.23Å; L136-M139 PolarHBondContact O-N 3.19Å; E137-M139 PolarHBondContact O-N 3.46Å; M139-Y191 HydrophobicContact CB-CE1 4.15Å; M139-Y191 HydrophobicContact CE-CD1 4.12Å; M139-Y191 HydrophobicContact SD-CD1 4.45Å; M139-K193 HydrophobicContact CE-CD 4.5Å; M139-K193 HydrophobicContact CE-CG 4.44Å; M139-K193 HydrophobicContact SD-CB 4.23Å; M139-K193 HydrophobicContact SD-CD 3.25Å; M139-K193 WeakPolarHBondContact SD-CD 3.38Å; M139-K193 WeakPolarHBondContact SD-CE 3.49Å; M139-K193 HydrophobicContact SD-CG 3.39Å; M139-K193 WeakPolarHBondContact SD-CG 3.31Å
140	T	94.9	Very high	95.4	Very high	16 Å²	16	60.9 Å²	60.9	10%	0.098	30%	0.302	C	S	.	.			trans	-160.2	147.5	-177.5	177.4	0	0	0	0	111.8	L136 E142 Y191	L136-T140 HydrophobicContact CD1-CG2 3.74Å; L136-T140 HydrophobicContact CG-CG2 4.14Å; L136-T140 PolarHBondContact O-N 2.89Å; T140-E142 WeakPolarHBondContact OG1-CB 3.44Å; T140-E142 PolarHBondContact OG1-N 2.89Å; T140-E142 PolarHBondContact OG1-OE2 2.71Å; T140-Y191 HydrophobicContact CG2-CD2 4.31Å; T140-Y191 HydrophobicContact CG2-CE1 4.25Å; T140-Y191 HydrophobicContact CG2-CE2 3.87Å
141	D	95.2	Very high	95.5	Very high	119 Å²	119	60.7 Å²	60.7	64%	0.636	31%	0.31	S	S	*	.	S	Bend	trans	-101.6	7.3	175.2	75.7	-36	0	0	0	113.4	W143 K166	D141-W143 VanDerWaalsContact C-N 3.34Å; D141-K166 WeakPolarHBondContact O-CD 3.19Å; D141-K166 PolarHBondContact O-NZ 2.68Å
142	E	95.9	Very high	95.7	Very high	80 Å²	80	59.9 Å²	59.9	37%	0.374	30%	0.304	S	S	.	.	S	Bend	trans	-83.7	-7.9	-176	-64.8	172.3	133.2	0	0	113.8	T140 K166 R226	T140-E142 WeakPolarHBondContact OG1-CB 3.44Å; T140-E142 PolarHBondContact OG1-N 2.89Å; T140-E142 PolarHBondContact OG1-OE2 2.71Å; E142-K166 VanDerWaalsContact O-CB 3.29Å; E142-K166 WeakPolarHBondContact O-CB 3.45Å; E142-K166 PolarHBondContact O-N 3.16Å; E142-R226 IonicContact OE1-CZ 3.47Å; E142-R226 IonicContact OE1-NH1 2.63Å; E142-R226 PolarHBondContact OE1-NH1 2.98Å; E142-R226 IonicContact OE2-CZ 2.79Å; E142-R226 IonicContact OE2-NE 3.96Å; E142-R226 IonicContact OE2-NH1 2.8Å; E142-R226 PolarHBondContact OE2-NH1 3.38Å; E142-R226 IonicContact OE2-NH2 3.96Å; E142-R226 PolarHBondContact OE2-NH2 3.11Å
143	W	97.8	Very high	96	Very high	19 Å²	19	63.2 Å²	63.2	7%	0.072	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	155.5	-178	-67.3	80.9	0	0	0	110.8	F133 L136 D141 V164 P165 L188 V198 T224	F133-W143 HydrophobicContact CE2-CB 4.11Å; F133-W143 HydrophobicContact CZ-CB 4.3Å; L136-W143 HydrophobicContact CD2-CB 3.8Å; L136-W143 HydrophobicContact CD2-CD2 4.49Å; L136-W143 HydrophobicContact CD2-CG 3.94Å; D141-W143 VanDerWaalsContact C-N 3.34Å; W143-V164 WeakPolarHBondContact CA-O 3.46Å; W143-P165 HydrophobicContact CH2-CG 4.04Å; W143-P165 HydrophobicContact CZ3-CG 4.01Å; W143-L188 HydrophobicContact CD2-CD2 3.97Å; W143-L188 HydrophobicContact CE3-CB 3.99Å; W143-L188 HydrophobicContact CE3-CD2 3.91Å; W143-L188 HydrophobicContact CE3-CG 4.4Å; W143-L188 HydrophobicContact CH2-CB 4.02Å; W143-L188 HydrophobicContact CH2-CD1 3.79Å; W143-L188 HydrophobicContact CH2-CG 4.33Å; W143-L188 HydrophobicContact CZ2-CD1 3.89Å; W143-L188 HydrophobicContact CZ3-CB 3.57Å; W143-L188 HydrophobicContact CZ3-CD1 4.17Å; W143-L188 HydrophobicContact CZ3-CD2 4.21Å; W143-L188 HydrophobicContact CZ3-CG 4.2Å; W143-V198 HydrophobicContact CZ2-CB 4.37Å; W143-V198 HydrophobicContact CZ2-CG1 3.82Å; W143-V198 HydrophobicContact CZ2-CG2 4.28Å; W143-T224 HydrophobicContact CH2-CG2 3.93Å; W143-T224 HydrophobicContact CZ2-CG2 4.41Å
144	R	97.6	Very high	96.1	Very high	53 Å²	53	63.7 Å²	63.7	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.5	172.4	70	178.3	-176.5	86.2	3.3	110.4	F133 V164 K166 I168 D170	F133-R144 VanDerWaalsContact CZ-CA 3.45Å; R144-V164 HydrophobicContact CG-CG2 3.8Å; R144-V164 PolarHBondContact N-O 3.33Å; R144-V164 PolarHBondContact O-N 2.9Å; R144-K166 HydrophobicContact CB-CB 4.47Å; R144-I168 PolarHBondContact NE-O 2.87Å; R144-I168 PolarHBondContact NH2-O 2.76Å; R144-D170 IonicContact CZ-OD1 2.82Å; R144-D170 VanDerWaalsContact CZ-OD1 3.28Å; R144-D170 IonicContact NH1-OD1 2.86Å; R144-D170 PolarHBondContact NH1-OD1 3.25Å; R144-D170 IonicContact NH2-OD1 3.27Å; R144-D170 PolarHBondContact NH2-OD1 3.37Å
145	L	97.6	Very high	96.3	Very high	38 Å²	38	58 Å²	58	20%	0.199	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	119.9	168	-158.4	66.1	0	0	0	109.2	R130 F133 L161	R130-L145 HydrophobicContact CG-CD2 3.85Å; F133-L145 HydrophobicContact CB-CD1 4.27Å; F133-L145 HydrophobicContact CD1-CB 4Å; F133-L145 HydrophobicContact CD2-CD1 4.13Å; F133-L145 HydrophobicContact CE1-CB 4.02Å; F133-L145 HydrophobicContact CG-CB 4.28Å; F133-L145 HydrophobicContact CG-CD1 4.09Å; F133-L145 HydrophobicContact CZ-CB 4.38Å; L145-L161 HydrophobicContact CD1-CB 4.01Å; L145-L161 HydrophobicContact CD2-CB 3.98Å; L145-L161 HydrophobicContact CD2-CD1 3.84Å; L145-L161 HydrophobicContact CD2-CD2 4.26Å; L145-L161 HydrophobicContact CD2-CG 4.25Å; L145-L161 HydrophobicContact CG-CB 3.94Å; L145-L161 HydrophobicContact CG-CD2 4.38Å
146	S	98	Very high	96.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.9	177	174.3	0	0	0	0	110.8	V148 L161 V162 D170	S146-V148 VanDerWaalsContact OG-CB 3.23Å; S146-V148 WeakPolarHBondContact OG-CB 3.22Å; S146-V148 VanDerWaalsContact OG-CG1 3.27Å; S146-V148 WeakPolarHBondContact OG-CG1 3.5Å; S146-V148 PolarHBondContact OG-N 2.92Å; S146-V148 VanDerWaalsContact OG-N 3.09Å; S146-L161 WeakPolarHBondContact O-CA 3.5Å; S146-V162 PolarHBondContact N-O 3.19Å; S146-V162 PolarHBondContact O-N 3.29Å; S146-V162 VanDerWaalsContact O-N 3.16Å; S146-D170 PolarHBondContact OG-OD1 3.24Å
147	E	97.8	Very high	96.7	Very high	84 Å²	84	56.4 Å²	56.4	39%	0.393	30%	0.298	S	S	.	.			trans	-97.1	14.9	171.6	-48.1	-155.1	149.8	0	0	112	R130 N149 K150 L161	R130-E147 IonicContact CZ-OE1 2.83Å; R130-E147 IonicContact NH1-OE1 2.71Å; R130-E147 IonicContact NH2-OE1 3.26Å; R130-E147 PolarHBondContact NH2-OE1 3.27Å; E147-N149 PolarHBondContact O-N 3.04Å; E147-K150 HydrophobicContact CB-CB 4.4Å; E147-K150 VanDerWaalsContact O-CB 3.3Å; E147-K150 WeakPolarHBondContact O-CB 3.17Å; E147-K150 PolarHBondContact O-N 3.3Å; E147-L161 HydrophobicContact CB-CD2 4.24Å; E147-L161 HydrophobicContact CG-CD2 3.61Å
148	V	98.2	Very high	96.9	Very high	4 Å²	4	51 Å²	51	2%	0.024	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-27	-176.7	71.5	0	0	0	0	113.2	S146 V154 V162 D170 L173 R174 F185	S146-V148 VanDerWaalsContact OG-CB 3.23Å; S146-V148 WeakPolarHBondContact OG-CB 3.22Å; S146-V148 VanDerWaalsContact OG-CG1 3.27Å; S146-V148 WeakPolarHBondContact OG-CG1 3.5Å; S146-V148 PolarHBondContact OG-N 2.92Å; S146-V148 VanDerWaalsContact OG-N 3.09Å; V148-V154 HydrophobicContact CG2-CG2 4.17Å; V148-V154 VanDerWaalsContact O-CG2 3.31Å; V148-V154 WeakPolarHBondContact O-CG2 3.38Å; V148-V162 HydrophobicContact CG1-CG2 4.41Å; V148-D170 HydrophobicContact CB-CB 4.03Å; V148-D170 HydrophobicContact CG2-CB 3.84Å; V148-L173 HydrophobicContact CB-CD1 4.33Å; V148-L173 HydrophobicContact CG1-CB 4.39Å; V148-L173 HydrophobicContact CG1-CD1 3.86Å; V148-L173 HydrophobicContact CG2-CB 4.31Å; V148-R174 HydrophobicContact CG2-CG 3.77Å; V148-F185 HydrophobicContact CG1-CE1 4.46Å; V148-F185 HydrophobicContact CG1-CZ 3.94Å
149	N	97.9	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	17.9	-177.7	-161.7	48.8	0	0	0	113.7	E147 D151 F152 V154 C155 Y158 P159 P160	E147-N149 PolarHBondContact O-N 3.04Å; N149-D151 PolarHBondContact O-N 3.2Å; N149-D151 VanDerWaalsContact O-N 3.1Å; N149-F152 PolarHBondContact O-N 2.8Å; N149-F152 WeakPolarHBondContact OD1-CA 3.23Å; N149-V154 PolarHBondContact OD1-N 3.18Å; N149-C155 PolarHBondContact ND2-O 2.81Å; N149-C155 PolarHBondContact OD1-N 2.96Å; N149-C155 PolarHBondContact OD1-O 3.4Å; N149-Y158 PolarHBondContact ND2-O 3.5Å; N149-Y158 VanDerWaalsContact ND2-O 3.12Å; N149-P159 PolarHBondContact ND2-O 2.72Å; N149-P160 CarbonylContact C-O 3.58Å
150	K	97.4	Very high	97.1	Very high	120 Å²	120	46.2 Å²	46.2	52%	0.522	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-38.9	-177.1	-178.6	177.4	177.6	176.4	0	113.8	E147 P160	E147-K150 HydrophobicContact CB-CB 4.4Å; E147-K150 VanDerWaalsContact O-CB 3.3Å; E147-K150 WeakPolarHBondContact O-CB 3.17Å; E147-K150 PolarHBondContact O-N 3.3Å; K150-P160 PolarHBondContact N-O 2.96Å
151	D	96.6	Very high	97.3	Very high	121 Å²	121	46.5 Å²	46.5	65%	0.647	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	14.7	-178.7	-50.4	-47	0	0	0	113	N149 T153	N149-D151 PolarHBondContact O-N 3.2Å; N149-D151 VanDerWaalsContact O-N 3.1Å; D151-T153 HydrophobicContact CB-CG2 4.23Å; D151-T153 PolarHBondContact O-N 3.13Å
152	F	97.6	Very high	97.4	Very high	44 Å²	44	41.1 Å²	41.1	19%	0.193	22%	0.216	C	C	.	.	S	Bend	trans	61.5	11.8	179	-54.3	-75	0	0	0	116.1	N149 S156 P160 A442 A443 A446	N149-F152 PolarHBondContact O-N 2.8Å; N149-F152 WeakPolarHBondContact OD1-CA 3.23Å; F152-S156 WeakPolarHBondContact O-CA 3.15Å; F152-S156 PolarHBondContact O-N 3.35Å; F152-P160 HydrophobicContact CE1-CG 3.81Å; F152-P160 HydrophobicContact CE2-CG 4.42Å; F152-P160 HydrophobicContact CZ-CG 3.57Å; F152-A442 HydrophobicContact CD1-CB 4.47Å; F152-A442 HydrophobicContact CE1-CB 3.76Å; F152-A443 HydrophobicContact CB-CB 3.8Å; F152-A443 HydrophobicContact CD1-CB 3.82Å; F152-A443 HydrophobicContact CD2-CB 4.17Å; F152-A443 HydrophobicContact CE1-CB 4.42Å; F152-A443 HydrophobicContact CG-CB 3.66Å; F152-A446 HydrophobicContact CE2-CB 3.65Å; F152-A446 HydrophobicContact CZ-CB 3.76Å
153	T	96.8	Very high	97.4	Very high	108 Å²	108	38.2 Å²	38.2	66%	0.663	21%	0.206	S	C	*	.	S	Bend	trans	-76.2	-23.6	-175.9	54.6	0	0	0	0	113.9	D151	D151-T153 HydrophobicContact CB-CG2 4.23Å; D151-T153 PolarHBondContact O-N 3.13Å
154	V	97.9	Very high	97.5	Very high	22 Å²	22	37.4 Å²	37.4	13%	0.133	20%	0.203	C	C	.	.	S	Bend	trans	-89.4	-41.4	-178	177.8	0	0	0	0	111.1	V148 N149 R174 A177 F185	V148-V154 HydrophobicContact CG2-CG2 4.17Å; V148-V154 VanDerWaalsContact O-CG2 3.31Å; V148-V154 WeakPolarHBondContact O-CG2 3.38Å; N149-V154 PolarHBondContact OD1-N 3.18Å; V154-R174 HydrophobicContact CG2-CG 4.09Å; V154-A177 HydrophobicContact CG1-CB 3.43Å; V154-A177 VanDerWaalsContact CG1-CB 3.43Å; V154-F185 HydrophobicContact CG1-CD1 4.38Å; V154-F185 HydrophobicContact CG1-CE1 3.88Å
155	C	98.2	Very high	97.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	20%	0.195	C	C	.	.			trans	-151.5	101.3	175.7	-179.6	0	0	0	0	109.2	N149 S157 Y158 G182 G183 R184	N149-C155 PolarHBondContact ND2-O 2.81Å; N149-C155 PolarHBondContact OD1-N 2.96Å; N149-C155 PolarHBondContact OD1-O 3.4Å; C155-S157 PolarHBondContact O-N 2.9Å; C155-S157 PolarHBondContact SG-OG 2.82Å; C155-Y158 HydrophobicContact CB-CD2 4.18Å; C155-Y158 HydrophobicContact CB-CG 4.23Å; C155-Y158 PolarHBondContact O-N 3.2Å; C155-Y158 VanDerWaalsContact O-N 3.12Å; C155-Y158 VanDerWaalsContact SG-CG 3.6Å; C155-G182 PolarHBondContact SG-O 3.19Å; C155-G183 WeakPolarHBondContact CB-O 3.46Å; C155-R184 WeakPolarHBondContact SG-CG 3.41Å
156	S	97.4	Very high	97.5	Very high	65 Å²	65	39.1 Å²	39.1	46%	0.455	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.9	-179.5	58.4	0	0	0	0	113.6	F152 A443	F152-S156 WeakPolarHBondContact O-CA 3.15Å; F152-S156 PolarHBondContact O-N 3.35Å; S156-A443 WeakPolarHBondContact O-CB 3.31Å; S156-A443 PolarHBondContact O-N 2.85Å
157	S	97.2	Very high	97.5	Very high	17 Å²	17	43 Å²	43	12%	0.119	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.6	-178.1	62.4	0	0	0	0	115.8	C155 R184 A372 G373	C155-S157 PolarHBondContact O-N 2.9Å; C155-S157 PolarHBondContact SG-OG 2.82Å; S157-R184 VanDerWaalsContact CB-NH1 3.31Å; S157-R184 PolarHBondContact O-NH1 2.74Å; S157-R184 WeakPolarHBondContact OG-CD 3.43Å; S157-R184 WeakPolarHBondContact OG-CG 3.29Å; S157-R184 PolarHBondContact OG-NH1 2.9Å; S157-A372 CarbonylContact O-C 3.52Å; S157-G373 WeakPolarHBondContact O-CA 3.4Å; S157-G373 PolarHBondContact O-N 3.04Å
158	Y	97.6	Very high	97.5	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	22%	0.22	C	C	.	.	S	Bend	trans	-95.6	159	174.6	-85.9	-0.8	0	0	0	111.7	N149 C155 V162 R184 F185 V187 R201 A442	N149-Y158 PolarHBondContact ND2-O 3.5Å; N149-Y158 VanDerWaalsContact ND2-O 3.12Å; C155-Y158 HydrophobicContact CB-CD2 4.18Å; C155-Y158 HydrophobicContact CB-CG 4.23Å; C155-Y158 PolarHBondContact O-N 3.2Å; C155-Y158 VanDerWaalsContact O-N 3.12Å; C155-Y158 VanDerWaalsContact SG-CG 3.6Å; Y158-V162 HydrophobicContact CD2-CG1 4.24Å; Y158-R184 HydrophobicContact CD1-CG 4.46Å; Y158-R184 VanDerWaalsContact CD1-NH1 3.33Å; Y158-R184 HydrophobicContact CE1-CB 4.22Å; Y158-R184 HydrophobicContact CE1-CG 4.12Å; Y158-R184 VanDerWaalsContact CE1-CZ 3.41Å; Y158-R184 HydrophobicContact CE2-CB 4.42Å; Y158-F185 HydrophobicContact CD2-CE1 4.39Å; Y158-F185 HydrophobicContact CD2-CZ 4.47Å; Y158-F185 VanDerWaalsContact CE2-O 3.28Å; Y158-F185 WeakPolarHBondContact CE2-O 3.4Å; Y158-F185 PolarHBondContact OH-O 3.47Å; Y158-V187 HydrophobicContact CD2-CG1 4.12Å; Y158-V187 HydrophobicContact CE1-CG2 4.36Å; Y158-V187 HydrophobicContact CE2-CB 4.36Å; Y158-V187 HydrophobicContact CE2-CG1 3.56Å; Y158-V187 HydrophobicContact CE2-CG2 3.86Å; Y158-R201 PolarHBondContact OH-O 3.3Å; Y158-A442 WeakPolarHBondContact O-CB 3.46Å
159	P	96.1	Very high	97.5	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.078	24%	0.238	C	C	.	.			trans	-68.4	166.5	176	30.6	-31.5	0	0	0	110.8	N149 L161 V162 Q371	N149-P159 PolarHBondContact ND2-O 2.72Å; P159-L161 WeakPolarHBondContact CG-O 3.48Å; P159-L161 PolarHBondContact O-N 2.72Å; P159-V162 HydrophobicContact CG-CG1 4.04Å; P159-Q371 HydrophobicContact CB-CB 4.19Å; P159-Q371 WeakPolarHBondContact CD-O 3.27Å; P159-Q371 HydrophobicContact CG-CB 4.27Å
160	P	96.4	Very high	97.5	Very high	47 Å²	47	44.8 Å²	44.8	31%	0.305	25%	0.25	S	S	.	.	S	Bend	trans	-58.3	-30.3	176.3	-27.4	36.3	0	0	0	114	N149 K150 F152	N149-P160 CarbonylContact C-O 3.58Å; K150-P160 PolarHBondContact N-O 2.96Å; F152-P160 HydrophobicContact CE1-CG 3.81Å; F152-P160 HydrophobicContact CE2-CG 4.42Å; F152-P160 HydrophobicContact CZ-CG 3.57Å
161	L	97.4	Very high	97.6	Very high	21 Å²	21	44.5 Å²	44.5	11%	0.11	25%	0.254	C	S	.	.	S	Bend	trans	-121.5	126.6	-175.1	-61.6	173.6	0	0	0	109.7	P129 R130 L145 S146 E147 P159	P129-L161 HydrophobicContact CB-CB 4.22Å; R130-L161 HydrophobicContact CG-CD1 3.61Å; L145-L161 HydrophobicContact CD1-CB 4.01Å; L145-L161 HydrophobicContact CD2-CB 3.98Å; L145-L161 HydrophobicContact CD2-CD1 3.84Å; L145-L161 HydrophobicContact CD2-CD2 4.26Å; L145-L161 HydrophobicContact CD2-CG 4.25Å; L145-L161 HydrophobicContact CG-CB 3.94Å; L145-L161 HydrophobicContact CG-CD2 4.38Å; S146-L161 WeakPolarHBondContact O-CA 3.5Å; E147-L161 HydrophobicContact CB-CD2 4.24Å; E147-L161 HydrophobicContact CG-CD2 3.61Å; P159-L161 WeakPolarHBondContact CG-O 3.48Å; P159-L161 PolarHBondContact O-N 2.72Å
162	V	97.1	Very high	97.7	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.6	-179.9	-66.5	0	0	0	0	111.7	S146 V148 Y158 P159 V164 F185 V187	S146-V162 PolarHBondContact N-O 3.19Å; S146-V162 PolarHBondContact O-N 3.29Å; S146-V162 VanDerWaalsContact O-N 3.16Å; V148-V162 HydrophobicContact CG1-CG2 4.41Å; Y158-V162 HydrophobicContact CD2-CG1 4.24Å; P159-V162 HydrophobicContact CG-CG1 4.04Å; V162-V164 HydrophobicContact CG2-CG1 4.15Å; V162-F185 HydrophobicContact CG2-CE2 4.05Å; V162-F185 HydrophobicContact CG2-CZ 3.86Å; V162-V187 HydrophobicContact CB-CG1 3.98Å; V162-V187 HydrophobicContact CG1-CG1 4.23Å; V162-V187 HydrophobicContact CG2-CG1 4.37Å
163	A	97.8	Very high	97.7	Very high	19 Å²	19	37.1 Å²	37.1	16%	0.157	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	123.2	176.8	0	0	0	0	0	110.6	F133 L188	F133-A163 HydrophobicContact CD2-CB 3.92Å; F133-A163 HydrophobicContact CE2-CB 3.96Å; A163-L188 HydrophobicContact CB-CB 4.05Å; A163-L188 HydrophobicContact CB-CD2 4.26Å; A163-L188 PolarHBondContact O-N 3.41Å
164	V	98.1	Very high	97.8	Very high	1 Å²	1	37 Å²	37	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	161	-176.3	-63.4	0	0	0	0	110.6	W143 R144 V162 K166 L173 F185	W143-V164 WeakPolarHBondContact CA-O 3.46Å; R144-V164 HydrophobicContact CG-CG2 3.8Å; R144-V164 PolarHBondContact N-O 3.33Å; R144-V164 PolarHBondContact O-N 2.9Å; V162-V164 HydrophobicContact CG2-CG1 4.15Å; V164-K166 PolarHBondContact O-N 3.47Å; V164-L173 HydrophobicContact CB-CD1 4.43Å; V164-L173 HydrophobicContact CB-CD2 4.48Å; V164-L173 HydrophobicContact CG1-CD1 3.97Å; V164-L173 HydrophobicContact CG1-CD2 4.03Å; V164-L173 HydrophobicContact CG2-CD1 4.12Å; V164-F185 HydrophobicContact CG1-CE2 4.12Å
165	P	98.3	Very high	97.9	Very high	5 Å²	5	41 Å²	41	3%	0.032	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	137.7	176.3	-22	33.7	0	0	0	111.4	W143 S167 I168 L220 A223 T224	W143-P165 HydrophobicContact CH2-CG 4.04Å; W143-P165 HydrophobicContact CZ3-CG 4.01Å; P165-S167 PolarHBondContact O-N 3.04Å; P165-I168 HydrophobicContact CB-CG1 4.04Å; P165-I168 HydrophobicContact CG-CG1 4.31Å; P165-I168 PolarHBondContact O-N 3.41Å; P165-L220 HydrophobicContact CG-CD1 4.19Å; P165-A223 HydrophobicContact CB-CB 4.06Å; P165-A223 HydrophobicContact CG-CB 4.2Å; P165-T224 HydrophobicContact CG-CG2 3.7Å
166	K	97.8	Very high	97.9	Very high	122 Å²	122	41 Å²	41	53%	0.53	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.9	-177.3	-174.4	172.9	178	179.7	0	113.3	D141 E142 R144 V164 I168	D141-K166 WeakPolarHBondContact O-CD 3.19Å; D141-K166 PolarHBondContact O-NZ 2.68Å; E142-K166 VanDerWaalsContact O-CB 3.29Å; E142-K166 WeakPolarHBondContact O-CB 3.45Å; E142-K166 PolarHBondContact O-N 3.16Å; R144-K166 HydrophobicContact CB-CB 4.47Å; V164-K166 PolarHBondContact O-N 3.47Å; K166-I168 VanDerWaalsContact C-N 3.28Å; K166-I168 PolarHBondContact O-N 2.78Å
167	S	97.7	Very high	98	Very high	82 Å²	82	38.3 Å²	38.3	57%	0.573	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.9	178.2	59.9	0	0	0	0	114.7	P165	P165-S167 PolarHBondContact O-N 3.04Å
168	I	98.4	Very high	98	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	22%	0.22	C	C	.	.	S	Bend	trans	-102.1	125.6	179.4	-57.2	-61.2	0	0	0	108.9	R144 P165 K166 T172 L173 K219 L220 A223	R144-I168 PolarHBondContact NE-O 2.87Å; R144-I168 PolarHBondContact NH2-O 2.76Å; P165-I168 HydrophobicContact CB-CG1 4.04Å; P165-I168 HydrophobicContact CG-CG1 4.31Å; P165-I168 PolarHBondContact O-N 3.41Å; K166-I168 VanDerWaalsContact C-N 3.28Å; K166-I168 PolarHBondContact O-N 2.78Å; I168-T172 HydrophobicContact CG2-CG2 3.77Å; I168-L173 HydrophobicContact CG2-CD2 3.81Å; I168-L173 HydrophobicContact CG2-CG 4.14Å; I168-K219 HydrophobicContact CD1-CD 4.1Å; I168-K219 HydrophobicContact CD1-CG 3.87Å; I168-L220 HydrophobicContact CB-CD1 4.37Å; I168-L220 HydrophobicContact CG1-CD1 3.95Å; I168-L220 HydrophobicContact CG2-CD1 4.14Å; I168-A223 HydrophobicContact CD1-CB 3.91Å; I168-A223 HydrophobicContact CG1-CB 3.99Å
169	D	98.2	Very high	98.1	Very high	77 Å²	77	41.5 Å²	41.5	41%	0.412	22%	0.22	S	C	.	.			trans	-85.2	163.9	175.7	56.3	50.1	0	0	0	112.5	D171 T172 L173	D169-D171 VanDerWaalsContact C-N 3.31Å; D169-D171 PolarHBondContact O-N 3.06Å; D169-D171 PolarHBondContact OD1-N 3.44Å; D169-T172 WeakPolarHBondContact O-CB 3.38Å; D169-T172 PolarHBondContact O-N 3.02Å; D169-T172 WeakPolarHBondContact OD1-CB 3.29Å; D169-T172 PolarHBondContact OD1-N 2.97Å; D169-T172 PolarHBondContact OD1-OG1 2.88Å; D169-L173 WeakPolarHBondContact O-CG 3.48Å; D169-L173 PolarHBondContact O-N 2.93Å
170	D	98.6	Very high	98.2	Very high	47 Å²	47	41 Å²	41	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-67.7	-28.1	-177.1	-75.1	-1.1	0	0	0	112.9	R144 S146 V148 L173 R174	R144-D170 IonicContact CZ-OD1 2.82Å; R144-D170 VanDerWaalsContact CZ-OD1 3.28Å; R144-D170 IonicContact NH1-OD1 2.86Å; R144-D170 PolarHBondContact NH1-OD1 3.25Å; R144-D170 IonicContact NH2-OD1 3.27Å; R144-D170 PolarHBondContact NH2-OD1 3.37Å; S146-D170 PolarHBondContact OG-OD1 3.24Å; V148-D170 HydrophobicContact CB-CB 4.03Å; V148-D170 HydrophobicContact CG2-CB 3.84Å; D170-L173 WeakPolarHBondContact O-CB 3.48Å; D170-L173 PolarHBondContact O-N 2.97Å; D170-R174 WeakPolarHBondContact O-CG 3.27Å; D170-R174 PolarHBondContact O-N 2.85Å
171	D	98.5	Very high	98.3	Very high	113 Å²	113	41.8 Å²	41.8	60%	0.604	22%	0.217	S	C	*	.	H	α-helix	trans	-66.9	-39.3	175.5	-73.1	-26.7	0	0	0	111.8	D169 L173 R174 K175	D169-D171 VanDerWaalsContact C-N 3.31Å; D169-D171 PolarHBondContact O-N 3.06Å; D169-D171 PolarHBondContact OD1-N 3.44Å; D171-L173 VanDerWaalsContact C-N 3.35Å; D171-R174 PolarHBondContact O-N 2.93Å; D171-K175 WeakPolarHBondContact O-CG 3.4Å; D171-K175 PolarHBondContact O-N 2.95Å; D171-K175 VanDerWaalsContact O-N 3.16Å
172	T	98.7	Very high	98.3	Very high	10 Å²	10	43.1 Å²	43.1	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-48.5	170.6	-59.3	0	0	0	0	109.5	I168 D169 R174 K175 V176 E216	I168-T172 HydrophobicContact CG2-CG2 3.77Å; D169-T172 WeakPolarHBondContact O-CB 3.38Å; D169-T172 PolarHBondContact O-N 3.02Å; D169-T172 WeakPolarHBondContact OD1-CB 3.29Å; D169-T172 PolarHBondContact OD1-N 2.97Å; D169-T172 PolarHBondContact OD1-OG1 2.88Å; T172-R174 PolarHBondContact O-N 2.75Å; T172-K175 WeakPolarHBondContact O-CB 3.28Å; T172-K175 PolarHBondContact O-N 2.69Å; T172-K175 VanDerWaalsContact O-N 3.14Å; T172-V176 HydrophobicContact CG2-CG2 4.46Å; T172-V176 WeakPolarHBondContact O-CG2 3.45Å; T172-V176 PolarHBondContact O-N 3.09Å; T172-E216 HydrophobicContact CG2-CB 3.72Å; T172-E216 HydrophobicContact CG2-CG 3.94Å
173	L	98.8	Very high	98.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.1	-43.1	178.9	-61.2	176.3	0	0	0	112.5	V148 V164 I168 D169 D170 D171 K175 V176 A177 F185 L220	V148-L173 HydrophobicContact CB-CD1 4.33Å; V148-L173 HydrophobicContact CG1-CB 4.39Å; V148-L173 HydrophobicContact CG1-CD1 3.86Å; V148-L173 HydrophobicContact CG2-CB 4.31Å; V164-L173 HydrophobicContact CB-CD1 4.43Å; V164-L173 HydrophobicContact CB-CD2 4.48Å; V164-L173 HydrophobicContact CG1-CD1 3.97Å; V164-L173 HydrophobicContact CG1-CD2 4.03Å; V164-L173 HydrophobicContact CG2-CD1 4.12Å; I168-L173 HydrophobicContact CG2-CD2 3.81Å; I168-L173 HydrophobicContact CG2-CG 4.14Å; D169-L173 WeakPolarHBondContact O-CG 3.48Å; D169-L173 PolarHBondContact O-N 2.93Å; D170-L173 WeakPolarHBondContact O-CB 3.48Å; D170-L173 PolarHBondContact O-N 2.97Å; D171-L173 VanDerWaalsContact C-N 3.35Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.88Å; L173-V176 PolarHBondContact O-N 2.9Å; L173-A177 WeakPolarHBondContact O-CB 3.25Å; L173-A177 PolarHBondContact O-N 3.48Å; L173-F185 HydrophobicContact CB-CE2 4.48Å; L173-F185 HydrophobicContact CB-CZ 4.46Å; L173-F185 HydrophobicContact CD1-CE2 4.33Å; L173-F185 HydrophobicContact CD2-CD2 4Å; L173-F185 HydrophobicContact CD2-CE2 3.92Å; L173-F185 HydrophobicContact CG-CE2 4.47Å; L173-L220 HydrophobicContact CD2-CD1 4.13Å; L173-L220 HydrophobicContact CD2-CD2 4.07Å
174	R	98.7	Very high	98.3	Very high	107 Å²	107	42.6 Å²	42.6	40%	0.404	23%	0.232	S	C	.	.	H	α-helix	trans	-58.4	-43	176.2	-70.9	178.8	-165.2	-71.3	-5.6	111.5	V148 V154 D170 D171 T172 A177 T178	V148-R174 HydrophobicContact CG2-CG 3.77Å; V154-R174 HydrophobicContact CG2-CG 4.09Å; D170-R174 WeakPolarHBondContact O-CG 3.27Å; D170-R174 PolarHBondContact O-N 2.85Å; D171-R174 PolarHBondContact O-N 2.93Å; T172-R174 PolarHBondContact O-N 2.75Å; R174-A177 WeakPolarHBondContact O-CB 3.48Å; R174-A177 PolarHBondContact O-N 2.85Å; R174-T178 WeakPolarHBondContact O-CG2 3.37Å; R174-T178 PolarHBondContact O-N 3.23Å
175	K	98.7	Very high	98.4	Very high	106 Å²	106	42.5 Å²	42.5	46%	0.461	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-43.9	176.1	-68.4	170.3	173.9	-178.1	0	111.9	D171 T172 L173 A177 T178 E216	D171-K175 WeakPolarHBondContact O-CG 3.4Å; D171-K175 PolarHBondContact O-N 2.95Å; D171-K175 VanDerWaalsContact O-N 3.16Å; T172-K175 WeakPolarHBondContact O-CB 3.28Å; T172-K175 PolarHBondContact O-N 2.69Å; T172-K175 VanDerWaalsContact O-N 3.14Å; L173-K175 VanDerWaalsContact C-N 3.31Å; L173-K175 PolarHBondContact O-N 2.88Å; K175-A177 VanDerWaalsContact C-N 3.31Å; K175-A177 PolarHBondContact O-N 2.88Å; K175-T178 PolarHBondContact O-N 3.32Å; K175-T178 PolarHBondContact O-OG1 3.32Å; K175-E216 HydrophobicContact CB-CB 4.29Å; K175-E216 HydrophobicContact CB-CG 4.19Å; K175-E216 HydrophobicContact CD-CG 3.71Å; K175-E216 VanDerWaalsContact CD-OE1 3.3Å; K175-E216 WeakPolarHBondContact CD-OE1 3.31Å; K175-E216 IonicContact NZ-OE1 2.91Å; K175-E216 PolarHBondContact NZ-OE1 2.81Å
176	V	98.8	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-40.4	176.6	-177.9	0	0	0	0	111.4	T172 L173 T178 F179 R180 F185 E216 D217 L220	T172-V176 HydrophobicContact CG2-CG2 4.46Å; T172-V176 WeakPolarHBondContact O-CG2 3.45Å; T172-V176 PolarHBondContact O-N 3.09Å; L173-V176 PolarHBondContact O-N 2.9Å; V176-T178 VanDerWaalsContact C-N 3.26Å; V176-T178 PolarHBondContact O-N 3.31Å; V176-F179 CarbonylContact O-C 3.6Å; V176-F179 WeakPolarHBondContact O-CA 3.46Å; V176-F179 WeakPolarHBondContact O-CB 3.48Å; V176-F179 PolarHBondContact O-N 2.91Å; V176-R180 HydrophobicContact CG1-CG 3.97Å; V176-R180 PolarHBondContact O-N 2.97Å; V176-F185 HydrophobicContact CB-CB 4.13Å; V176-F185 HydrophobicContact CG1-CB 3.59Å; V176-E216 VanDerWaalsContact CG2-C 3.42Å; V176-E216 HydrophobicContact CG2-CB 3.8Å; V176-E216 WeakPolarHBondContact CG2-O 3.09Å; V176-D217 HydrophobicContact CG1-CB 4.01Å; V176-D217 WeakPolarHBondContact CG1-OD1 3.43Å; V176-D217 HydrophobicContact CG2-CB 4.24Å; V176-L220 HydrophobicContact CB-CD2 4.38Å; V176-L220 HydrophobicContact CG1-CD2 4.02Å; V176-L220 HydrophobicContact CG2-CB 4.41Å; V176-L220 HydrophobicContact CG2-CD2 4.21Å
177	A	98.6	Very high	98.4	Very high	8 Å²	8	36.9 Å²	36.9	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-56.7	-39.6	176.2	0	0	0	0	0	111.9	V154 L173 R174 K175 F179 R180 G183 F185	V154-A177 HydrophobicContact CG1-CB 3.43Å; V154-A177 VanDerWaalsContact CG1-CB 3.43Å; L173-A177 WeakPolarHBondContact O-CB 3.25Å; L173-A177 PolarHBondContact O-N 3.48Å; R174-A177 WeakPolarHBondContact O-CB 3.48Å; R174-A177 PolarHBondContact O-N 2.85Å; K175-A177 VanDerWaalsContact C-N 3.31Å; K175-A177 PolarHBondContact O-N 2.88Å; A177-F179 PolarHBondContact O-N 3.08Å; A177-R180 PolarHBondContact O-N 3.45Å; A177-R180 VanDerWaalsContact O-O 3.04Å; A177-G183 WeakPolarHBondContact O-CA 3.34Å; A177-F185 HydrophobicContact CB-CD1 3.91Å
178	T	98.4	Very high	98.4	Very high	85 Å²	85	34 Å²	34	52%	0.521	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.7	175.3	74.9	0	0	0	0	114.6	R174 K175 V176 R212	R174-T178 WeakPolarHBondContact O-CG2 3.37Å; R174-T178 PolarHBondContact O-N 3.23Å; K175-T178 PolarHBondContact O-N 3.32Å; K175-T178 PolarHBondContact O-OG1 3.32Å; V176-T178 VanDerWaalsContact C-N 3.26Å; V176-T178 PolarHBondContact O-N 3.31Å; T178-R212 PolarHBondContact O-NH1 3.36Å
179	F	98.5	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-13.5	178.6	-178.2	-110.9	0	0	0	112.9	V176 A177 P205 L206 T207 R212 C214 D217	V176-F179 CarbonylContact O-C 3.6Å; V176-F179 WeakPolarHBondContact O-CA 3.46Å; V176-F179 WeakPolarHBondContact O-CB 3.48Å; V176-F179 PolarHBondContact O-N 2.91Å; A177-F179 PolarHBondContact O-N 3.08Å; F179-P205 HydrophobicContact CD1-CB 4.23Å; F179-P205 HydrophobicContact CE1-CB 3.49Å; F179-P205 VanDerWaalsContact CE1-CB 3.49Å; F179-P205 HydrophobicContact CZ-CB 3.77Å; F179-P205 CarbonylContact O-C 3.53Å; F179-L206 WeakPolarHBondContact CE2-O 3.3Å; F179-L206 VanDerWaalsContact O-CB 3.31Å; F179-L206 WeakPolarHBondContact O-CB 3.37Å; F179-L206 VanDerWaalsContact O-CG 3.31Å; F179-L206 WeakPolarHBondContact O-CG 3.33Å; F179-L206 PolarHBondContact O-N 3.32Å; F179-T207 HydrophobicContact CE2-CG2 4.28Å; F179-T207 HydrophobicContact CZ-CG2 3.76Å; F179-R212 HydrophobicContact CD2-CG 4.4Å; F179-R212 HydrophobicContact CE2-CB 4.45Å; F179-R212 HydrophobicContact CE2-CG 4.21Å; F179-R212 WeakPolarHBondContact CE2-O 3.46Å; F179-C214 HydrophobicContact CB-CB 3.88Å; F179-C214 HydrophobicContact CD1-CB 3.42Å; F179-C214 VanDerWaalsContact CD1-CB 3.42Å; F179-C214 HydrophobicContact CD2-CB 3.8Å; F179-C214 HydrophobicContact CE1-CB 3.81Å; F179-C214 HydrophobicContact CE2-CB 4.16Å; F179-C214 HydrophobicContact CG-CB 3.4Å; F179-C214 HydrophobicContact CZ-CB 4.15Å; F179-D217 HydrophobicContact CD1-CB 3.81Å; F179-D217 HydrophobicContact CE1-CB 4.14Å
180	R	98.5	Very high	98.4	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-107.9	136.6	-178.6	-71.4	-86.1	-177.4	-176.7	-5.2	110.2	V176 A177 G182 G183 G203 D217 E253	V176-R180 HydrophobicContact CG1-CG 3.97Å; V176-R180 PolarHBondContact O-N 2.97Å; A177-R180 PolarHBondContact O-N 3.45Å; A177-R180 VanDerWaalsContact O-O 3.04Å; R180-G182 PolarHBondContact O-N 3.16Å; R180-G183 PolarHBondContact O-N 2.83Å; R180-G203 VanDerWaalsContact CD-O 3.22Å; R180-G203 WeakPolarHBondContact CD-O 3.27Å; R180-G203 PolarHBondContact NH1-O 3.24Å; R180-D217 IonicContact CZ-OD1 2.95Å; R180-D217 IonicContact CZ-OD2 2.64Å; R180-D217 IonicContact NE-OD1 3.76Å; R180-D217 PolarHBondContact NE-OD1 3.28Å; R180-D217 IonicContact NE-OD2 3.84Å; R180-D217 IonicContact NH2-OD1 3.72Å; R180-D217 PolarHBondContact NH2-OD1 3.32Å; R180-D217 IonicContact NH2-OD2 2.83Å; R180-D217 PolarHBondContact NH2-OD2 2.84Å; R180-E253 IonicContact CZ-OE1 2.74Å; R180-E253 VanDerWaalsContact CZ-OE1 3.26Å; R180-E253 IonicContact NH1-OE1 3.83Å; R180-E253 PolarHBondContact NH1-OE1 2.68Å; R180-E253 IonicContact NH2-OE1 3.53Å; R180-E253 PolarHBondContact NH2-OE1 2.93Å
181	H	98.2	Very high	98.4	Very high	65 Å²	65	30.2 Å²	30.2	30%	0.301	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-56.5	128.3	-176	-173.9	85.3	0	0	0	111.3	G183 R184 Q204 L206	H181-G183 PolarHBondContact O-N 3.11Å; H181-R184 PolarHBondContact O-N 3.04Å; H181-Q204 HydrophobicContact CB-CG 3.71Å; H181-Q204 PolarHBondContact N-O 2.84Å; H181-L206 HydrophobicContact CB-CD2 4.07Å
182	G	97.2	Very high	98.3	Very high	49 Å²	49	25 Å²	25	51%	0.505	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	67.9	14.8	-177.4	0	0	0	0	0	115.2	C155 R180 R184	C155-G182 PolarHBondContact SG-O 3.19Å; R180-G182 PolarHBondContact O-N 3.16Å; G182-R184 PolarHBondContact O-N 3.02Å
183	G	98.2	Very high	98.1	Very high	10 Å²	10	30.7 Å²	30.7	10%	0.103	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	77.5	4.1	-174.8	0	0	0	0	0	113.9	C155 A177 R180 H181 F185	C155-G183 WeakPolarHBondContact CB-O 3.46Å; A177-G183 WeakPolarHBondContact O-CA 3.34Å; R180-G183 PolarHBondContact O-N 2.83Å; H181-G183 PolarHBondContact O-N 3.11Å; G183-F185 VanDerWaalsContact C-N 3.28Å; G183-F185 WeakPolarHBondContact O-CD1 3.36Å; G183-F185 PolarHBondContact O-N 3.41Å
184	R	98.6	Very high	97.8	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.015	19%	0.189	C	C	.	.			trans	-80.8	72	-171.7	-64.4	175.8	68.4	80.2	-3	111.3	C155 S157 Y158 H181 G182 A202 G203 E335 G336 A372	C155-R184 WeakPolarHBondContact SG-CG 3.41Å; S157-R184 VanDerWaalsContact CB-NH1 3.31Å; S157-R184 PolarHBondContact O-NH1 2.74Å; S157-R184 WeakPolarHBondContact OG-CD 3.43Å; S157-R184 WeakPolarHBondContact OG-CG 3.29Å; S157-R184 PolarHBondContact OG-NH1 2.9Å; Y158-R184 HydrophobicContact CD1-CG 4.46Å; Y158-R184 VanDerWaalsContact CD1-NH1 3.33Å; Y158-R184 HydrophobicContact CE1-CB 4.22Å; Y158-R184 HydrophobicContact CE1-CG 4.12Å; Y158-R184 VanDerWaalsContact CE1-CZ 3.41Å; Y158-R184 HydrophobicContact CE2-CB 4.42Å; H181-R184 PolarHBondContact O-N 3.04Å; G182-R184 PolarHBondContact O-N 3.02Å; R184-A202 WeakPolarHBondContact O-CA 3.45Å; R184-A202 WeakPolarHBondContact O-CB 3.37Å; R184-G203 PolarHBondContact O-N 2.75Å; R184-E335 WeakPolarHBondContact CD-O 3.34Å; R184-E335 PolarHBondContact NE-O 3.45Å; R184-G336 PolarHBondContact NH2-O 3.13Å; R184-A372 VanDerWaalsContact CZ-O 3.25Å; R184-A372 PolarHBondContact NH1-O 3.16Å; R184-A372 PolarHBondContact NH2-O 3.24Å
185	F	98.6	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.			trans	-65.6	155.3	176.9	58.3	-93.8	0	0	0	112.1	V148 V154 Y158 V162 V164 L173 V176 A177 G183 V187 L220	V148-F185 HydrophobicContact CG1-CE1 4.46Å; V148-F185 HydrophobicContact CG1-CZ 3.94Å; V154-F185 HydrophobicContact CG1-CD1 4.38Å; V154-F185 HydrophobicContact CG1-CE1 3.88Å; Y158-F185 HydrophobicContact CD2-CE1 4.39Å; Y158-F185 HydrophobicContact CD2-CZ 4.47Å; Y158-F185 VanDerWaalsContact CE2-O 3.28Å; Y158-F185 WeakPolarHBondContact CE2-O 3.4Å; Y158-F185 PolarHBondContact OH-O 3.47Å; V162-F185 HydrophobicContact CG2-CE2 4.05Å; V162-F185 HydrophobicContact CG2-CZ 3.86Å; V164-F185 HydrophobicContact CG1-CE2 4.12Å; L173-F185 HydrophobicContact CB-CE2 4.48Å; L173-F185 HydrophobicContact CB-CZ 4.46Å; L173-F185 HydrophobicContact CD1-CE2 4.33Å; L173-F185 HydrophobicContact CD2-CD2 4Å; L173-F185 HydrophobicContact CD2-CE2 3.92Å; L173-F185 HydrophobicContact CG-CE2 4.47Å; V176-F185 HydrophobicContact CB-CB 4.13Å; V176-F185 HydrophobicContact CG1-CB 3.59Å; A177-F185 HydrophobicContact CB-CD1 3.91Å; G183-F185 VanDerWaalsContact C-N 3.28Å; G183-F185 WeakPolarHBondContact O-CD1 3.36Å; G183-F185 PolarHBondContact O-N 3.41Å; F185-V187 HydrophobicContact CD2-CG1 3.79Å; F185-V187 HydrophobicContact CE2-CG1 3.52Å; F185-V187 HydrophobicContact CZ-CG1 4.34Å; F185-V187 PolarHBondContact O-N 2.89Å; F185-V187 VanDerWaalsContact O-N 3.16Å; F185-L220 HydrophobicContact CD2-CD2 4.46Å
186	P	98.6	Very high	97.5	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.013	16%	0.164	C	C	.	.			trans	-53	120	177	-28	35.1	0	0	0	113.1	M200 R201 A202 L220 I221 L330	P186-M200 HydrophobicContact CB-SD 4.11Å; P186-R201 WeakPolarHBondContact CA-O 3.36Å; P186-A202 HydrophobicContact CB-CB 4.41Å; P186-A202 HydrophobicContact CG-CB 3.98Å; P186-L220 HydrophobicContact CB-CD2 4.17Å; P186-L220 HydrophobicContact CG-CD2 4.28Å; P186-I221 HydrophobicContact CB-CG2 3.99Å; P186-I221 HydrophobicContact CG-CG2 3.63Å; P186-L330 HydrophobicContact CB-CD1 4.19Å; P186-L330 HydrophobicContact CG-CD1 4.38Å
187	V	98.2	Very high	97.5	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.042	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.6	174.4	-65.7	0	0	0	0	110.5	Y158 V162 F185 S189 M200 R201	Y158-V187 HydrophobicContact CD2-CG1 4.12Å; Y158-V187 HydrophobicContact CE1-CG2 4.36Å; Y158-V187 HydrophobicContact CE2-CB 4.36Å; Y158-V187 HydrophobicContact CE2-CG1 3.56Å; Y158-V187 HydrophobicContact CE2-CG2 3.86Å; V162-V187 HydrophobicContact CB-CG1 3.98Å; V162-V187 HydrophobicContact CG1-CG1 4.23Å; V162-V187 HydrophobicContact CG2-CG1 4.37Å; F185-V187 HydrophobicContact CD2-CG1 3.79Å; F185-V187 HydrophobicContact CE2-CG1 3.52Å; F185-V187 HydrophobicContact CZ-CG1 4.34Å; F185-V187 PolarHBondContact O-N 2.89Å; F185-V187 VanDerWaalsContact O-N 3.16Å; V187-S189 PolarHBondContact O-N 3.49Å; V187-M200 VanDerWaalsContact O-CA 3.24Å; V187-M200 WeakPolarHBondContact O-CA 3.41Å; V187-M200 WeakPolarHBondContact O-CB 3.48Å; V187-R201 HydrophobicContact CG2-CG 3.85Å; V187-R201 PolarHBondContact N-O 2.7Å; V187-R201 VanDerWaalsContact N-O 3.12Å; V187-R201 PolarHBondContact O-N 2.99Å; V187-R201 VanDerWaalsContact O-N 3.1Å
188	L	98.4	Very high	97.5	Very high	22 Å²	22	30.4 Å²	30.4	12%	0.115	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132	175.4	-172.1	65	0	0	0	110.8	L136 W143 A163 Y190 V198	L136-L188 HydrophobicContact CD1-CD2 4.24Å; L136-L188 HydrophobicContact CD2-CD2 3.31Å; L136-L188 HydrophobicContact CG-CD2 4.43Å; W143-L188 HydrophobicContact CD2-CD2 3.97Å; W143-L188 HydrophobicContact CE3-CB 3.99Å; W143-L188 HydrophobicContact CE3-CD2 3.91Å; W143-L188 HydrophobicContact CE3-CG 4.4Å; W143-L188 HydrophobicContact CH2-CB 4.02Å; W143-L188 HydrophobicContact CH2-CD1 3.79Å; W143-L188 HydrophobicContact CH2-CG 4.33Å; W143-L188 HydrophobicContact CZ2-CD1 3.89Å; W143-L188 HydrophobicContact CZ3-CB 3.57Å; W143-L188 HydrophobicContact CZ3-CD1 4.17Å; W143-L188 HydrophobicContact CZ3-CD2 4.21Å; W143-L188 HydrophobicContact CZ3-CG 4.2Å; A163-L188 HydrophobicContact CB-CB 4.05Å; A163-L188 HydrophobicContact CB-CD2 4.26Å; A163-L188 PolarHBondContact O-N 3.41Å; L188-Y190 VanDerWaalsContact CD1-O 3.29Å; L188-Y190 WeakPolarHBondContact CD1-O 3.25Å; L188-V198 HydrophobicContact CD1-CB 3.76Å; L188-V198 HydrophobicContact CD1-CG1 3.93Å
189	S	97.8	Very high	97.5	Very high	5 Å²	5	26.3 Å²	26.3	4%	0.035	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-41.5	170.1	173.1	0	0	0	0	110.7	V187 M199 Q348 E368	V187-S189 PolarHBondContact O-N 3.49Å; S189-M199 WeakPolarHBondContact CB-O 3.3Å; S189-M199 PolarHBondContact N-O 2.92Å; S189-Q348 PolarHBondContact O-OE1 3.48Å; S189-Q348 PolarHBondContact OG-NE2 3Å; S189-Q348 VanDerWaalsContact OG-NE2 3.09Å; S189-E368 WeakPolarHBondContact CB-OE1 3.37Å; S189-E368 PolarHBondContact OG-OE1 2.98Å; S189-E368 PolarHBondContact OG-OE2 3.47Å; S189-E368 VanDerWaalsContact OG-OE2 3.1Å
190	Y	98.2	Very high	97.5	Very high	17 Å²	17	26.4 Å²	26.4	7%	0.067	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.6	-179.1	-179.6	-110.5	0	0	0	112.5	L188 H192 V198 M199 Q348 L351 D352	L188-Y190 VanDerWaalsContact CD1-O 3.29Å; L188-Y190 WeakPolarHBondContact CD1-O 3.25Å; Y190-H192 HydrophobicContact CD1-CB 4.44Å; Y190-H192 HydrophobicContact CE1-CB 3.74Å; Y190-H192 AromaticContact CE1-CD2 3.91Å; Y190-V198 CarbonylContact O-C 3.05Å; Y190-V198 WeakPolarHBondContact O-CA 3.47Å; Y190-M199 PolarHBondContact N-O 3.46Å; Y190-M199 VanDerWaalsContact N-O 3.08Å; Y190-M199 PolarHBondContact O-N 3.38Å; Y190-Q348 HydrophobicContact CD2-CG 3.72Å; Y190-Q348 HydrophobicContact CG-CG 3.81Å; Y190-L351 HydrophobicContact CD1-CD1 4.01Å; Y190-L351 HydrophobicContact CE1-CB 4.12Å; Y190-L351 HydrophobicContact CE1-CD1 3.67Å; Y190-D352 HydrophobicContact CE2-CB 3.88Å
191	Y	97.9	Very high	97.5	Very high	23 Å²	23	26.9 Å²	26.9	9%	0.09	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	119.2	172.4	179.9	-92.9	0	0	0	109.9	L136 M139 T140 K193 V198 R226	L136-Y191 HydrophobicContact CD1-CD1 3.94Å; L136-Y191 HydrophobicContact CD1-CD2 4.03Å; L136-Y191 HydrophobicContact CD1-CG 3.56Å; M139-Y191 HydrophobicContact CB-CE1 4.15Å; M139-Y191 HydrophobicContact CE-CD1 4.12Å; M139-Y191 HydrophobicContact SD-CD1 4.45Å; T140-Y191 HydrophobicContact CG2-CD2 4.31Å; T140-Y191 HydrophobicContact CG2-CE1 4.25Å; T140-Y191 HydrophobicContact CG2-CE2 3.87Å; Y191-K193 PolarHBondContact O-N 3.2Å; Y191-V198 HydrophobicContact CD2-CG1 3.67Å; Y191-V198 HydrophobicContact CE2-CG1 4.3Å; Y191-R226 PolarHBondContact OH-NH2 3.37Å
192	H	97.1	Very high	97.5	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.023	13%	0.126	C	C	.	.			trans	-83.9	104.5	-177.7	-171.2	-122.2	0	0	0	111.3	Y190 K194 N195 G196 M197 I322 D323	Y190-H192 HydrophobicContact CD1-CB 4.44Å; Y190-H192 HydrophobicContact CE1-CB 3.74Å; Y190-H192 AromaticContact CE1-CD2 3.91Å; H192-K194 PolarHBondContact O-N 2.95Å; H192-K194 VanDerWaalsContact O-N 3.09Å; H192-N195 PolarHBondContact ND1-ND2 3.5Å; H192-N195 PolarHBondContact ND1-OD1 2.99Å; H192-N195 PolarHBondContact O-N 3.22Å; H192-G196 WeakPolarHBondContact O-CA 3.29Å; H192-G196 PolarHBondContact O-N 3.3Å; H192-M197 WeakPolarHBondContact CB-O 3.44Å; H192-M197 PolarHBondContact N-O 2.73Å; H192-I322 HydrophobicContact CB-CG2 3.54Å; H192-D323 IonicContact CE1-OD1 2.78Å; H192-D323 PolarHBondContact CE1-OD1 2.88Å; H192-D323 IonicContact NE2-OD1 2.73Å
193	K	94.1	Very high	97.6	Very high	129 Å²	129	21.5 Å²	21.5	56%	0.561	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.7	-171.8	-46.6	-165.8	178	-162.8	0	114	M139 Y191	M139-K193 HydrophobicContact CE-CD 4.5Å; M139-K193 HydrophobicContact CE-CG 4.44Å; M139-K193 HydrophobicContact SD-CB 4.23Å; M139-K193 HydrophobicContact SD-CD 3.25Å; M139-K193 WeakPolarHBondContact SD-CD 3.38Å; M139-K193 WeakPolarHBondContact SD-CE 3.49Å; M139-K193 HydrophobicContact SD-CG 3.39Å; M139-K193 WeakPolarHBondContact SD-CG 3.31Å; Y191-K193 PolarHBondContact O-N 3.2Å
194	K	93.7	Very high	97.6	Very high	149 Å²	149	21.4 Å²	21.4	65%	0.648	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-33	-172.9	-64.5	177.4	-178.2	167.7	0	114	H192	H192-K194 PolarHBondContact O-N 2.95Å; H192-K194 VanDerWaalsContact O-N 3.09Å
195	N	95.1	Very high	97.6	Very high	54 Å²	54	21.2 Å²	21.2	29%	0.289	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.7	0.1	-172.9	69.4	12.5	0	0	0	114.3	H192 M197 I322	H192-N195 PolarHBondContact ND1-ND2 3.5Å; H192-N195 PolarHBondContact ND1-OD1 2.99Å; H192-N195 PolarHBondContact O-N 3.22Å; N195-M197 VanDerWaalsContact O-CE 3.28Å; N195-M197 WeakPolarHBondContact O-CE 3.36Å; N195-M197 PolarHBondContact O-N 3.23Å; N195-M197 VanDerWaalsContact OD1-CB 3.31Å; N195-M197 WeakPolarHBondContact OD1-CB 3.46Å; N195-M197 VanDerWaalsContact OD1-CG 3.31Å; N195-M197 WeakPolarHBondContact OD1-CG 3.37Å; N195-M197 PolarHBondContact OD1-N 3.36Å; N195-I322 PolarHBondContact ND2-O 2.95Å
196	G	95.9	Very high	97.5	Very high	5 Å²	5	23.3 Å²	23.3	5%	0.052	11%	0.109	C	C	.	.			trans	66.8	17.2	177.5	0	0	0	0	0	114.7	H192 R226	H192-G196 WeakPolarHBondContact O-CA 3.29Å; H192-G196 PolarHBondContact O-N 3.3Å; G196-R226 PolarHBondContact O-NE 2.83Å
197	M	97.8	Very high	97.4	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.02	11%	0.112	C	C	.	.			trans	-76	152.6	169.6	-65.8	-52.3	108.4	0	0	110.5	H192 N195 R226 K229 I322 G326	H192-M197 WeakPolarHBondContact CB-O 3.44Å; H192-M197 PolarHBondContact N-O 2.73Å; N195-M197 VanDerWaalsContact O-CE 3.28Å; N195-M197 WeakPolarHBondContact O-CE 3.36Å; N195-M197 PolarHBondContact O-N 3.23Å; N195-M197 VanDerWaalsContact OD1-CB 3.31Å; N195-M197 WeakPolarHBondContact OD1-CB 3.46Å; N195-M197 VanDerWaalsContact OD1-CG 3.31Å; N195-M197 WeakPolarHBondContact OD1-CG 3.37Å; N195-M197 PolarHBondContact OD1-N 3.36Å; M197-R226 HydrophobicContact CE-CB 4Å; M197-R226 HydrophobicContact CE-CG 3.43Å; M197-R226 VanDerWaalsContact CE-CG 3.43Å; M197-K229 HydrophobicContact CE-CG 4.24Å; M197-I322 HydrophobicContact CB-CG2 4.13Å; M197-G326 VanDerWaalsContact CG-C 3.46Å
198	V	98.3	Very high	97.2	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.9	-176.7	-56.3	0	0	0	0	112.5	W143 L188 Y190 Y191 M200 S328 V329	W143-V198 HydrophobicContact CZ2-CB 4.37Å; W143-V198 HydrophobicContact CZ2-CG1 3.82Å; W143-V198 HydrophobicContact CZ2-CG2 4.28Å; L188-V198 HydrophobicContact CD1-CB 3.76Å; L188-V198 HydrophobicContact CD1-CG1 3.93Å; Y190-V198 CarbonylContact O-C 3.05Å; Y190-V198 WeakPolarHBondContact O-CA 3.47Å; Y191-V198 HydrophobicContact CD2-CG1 3.67Å; Y191-V198 HydrophobicContact CE2-CG1 4.3Å; V198-M200 HydrophobicContact CG2-CG 4.34Å; V198-S328 PolarHBondContact N-OG 2.92Å; V198-S328 CarbonylContact O-C 3.6Å; V198-S328 VanDerWaalsContact O-CA 3.26Å; V198-S328 WeakPolarHBondContact O-CA 3.39Å; V198-S328 WeakPolarHBondContact O-CB 3.27Å; V198-V329 PolarHBondContact O-N 2.93Å
199	M	98.8	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.7	163.4	-162.9	164.1	49.8	0	0	109	S189 Y190 A318 I322 V329 V331 T344 A347 Q348	S189-M199 WeakPolarHBondContact CB-O 3.3Å; S189-M199 PolarHBondContact N-O 2.92Å; Y190-M199 PolarHBondContact N-O 3.46Å; Y190-M199 VanDerWaalsContact N-O 3.08Å; Y190-M199 PolarHBondContact O-N 3.38Å; M199-A318 HydrophobicContact SD-CB 4.33Å; M199-I322 HydrophobicContact CB-CD1 3.74Å; M199-I322 HydrophobicContact CG-CD1 4.2Å; M199-I322 HydrophobicContact SD-CD1 4.14Å; M199-V329 CarbonylContact C-O 3.58Å; M199-V329 VanDerWaalsContact CA-O 3.31Å; M199-V329 WeakPolarHBondContact CA-O 3.44Å; M199-V329 HydrophobicContact CG-CB 4.39Å; M199-V331 HydrophobicContact CG-CG2 4.26Å; M199-V331 HydrophobicContact SD-CG2 4.33Å; M199-T344 HydrophobicContact CE-CG2 4.13Å; M199-T344 WeakPolarHBondContact CE-O 3.24Å; M199-T344 HydrophobicContact CG-CG2 4.17Å; M199-T344 HydrophobicContact SD-CG2 3.96Å; M199-A347 HydrophobicContact CE-CB 3.96Å; M199-A347 HydrophobicContact SD-CB 3.9Å; M199-Q348 HydrophobicContact CE-CG 3.82Å
200	M	98.7	Very high	96.6	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	159.6	175.3	-65.8	-178.1	-73	0	0	110.7	P186 V187 V198 I221 T224 W261 V329 L330 V331	P186-M200 HydrophobicContact CB-SD 4.11Å; V187-M200 VanDerWaalsContact O-CA 3.24Å; V187-M200 WeakPolarHBondContact O-CA 3.41Å; V187-M200 WeakPolarHBondContact O-CB 3.48Å; V198-M200 HydrophobicContact CG2-CG 4.34Å; M200-I221 HydrophobicContact CE-CB 4.45Å; M200-T224 HydrophobicContact CE-CG2 4.01Å; M200-T224 WeakPolarHBondContact CE-OG1 3.39Å; M200-T224 HydrophobicContact SD-CG2 3.4Å; M200-T224 WeakPolarHBondContact SD-CG2 3.3Å; M200-W261 HydrophobicContact CE-CH2 3.38Å; M200-W261 HydrophobicContact CE-CZ2 3.92Å; M200-W261 HydrophobicContact CE-CZ3 4.18Å; M200-V329 PolarHBondContact N-O 3.09Å; M200-L330 HydrophobicContact CB-CD1 3.65Å; M200-L330 HydrophobicContact CE-CB 4.22Å; M200-L330 HydrophobicContact CE-CD1 4.5Å; M200-V331 PolarHBondContact O-N 2.71Å
201	R	98.6	Very high	96.2	Very high	11 Å²	11	35.8 Å²	35.8	4%	0.042	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	147.5	172.8	60.1	-170.2	179.1	167.4	3.9	110.9	Y158 P186 V187 V331 T340 T344 R367 E368 A372	Y158-R201 PolarHBondContact OH-O 3.3Å; P186-R201 WeakPolarHBondContact CA-O 3.36Å; V187-R201 HydrophobicContact CG2-CG 3.85Å; V187-R201 PolarHBondContact N-O 2.7Å; V187-R201 VanDerWaalsContact N-O 3.12Å; V187-R201 PolarHBondContact O-N 2.99Å; V187-R201 VanDerWaalsContact O-N 3.1Å; R201-V331 WeakPolarHBondContact CA-O 3.29Å; R201-T340 HydrophobicContact CB-CG2 3.83Å; R201-T344 HydrophobicContact CB-CG2 4.35Å; R201-R367 PolarHBondContact NH2-O 2.98Å; R201-E368 IonicContact CZ-OE1 3.64Å; R201-E368 IonicContact CZ-OE2 3.15Å; R201-E368 IonicContact NE-OE2 3.55Å; R201-E368 VanDerWaalsContact NH1-CA 3.31Å; R201-E368 PolarHBondContact NH1-O 3.29Å; R201-E368 VanDerWaalsContact NH1-O 3.08Å; R201-E368 IonicContact NH1-OE1 3.44Å; R201-E368 IonicContact NH1-OE2 3.9Å; R201-E368 PolarHBondContact NH1-OE2 3.1Å; R201-A372 VanDerWaalsContact CZ-CB 3.42Å
202	A	98.6	Very high	96	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	171.4	179	0	0	0	0	0	111.6	R184 P186 L330 V331 H332 G336	R184-A202 WeakPolarHBondContact O-CA 3.45Å; R184-A202 WeakPolarHBondContact O-CB 3.37Å; P186-A202 HydrophobicContact CB-CB 4.41Å; P186-A202 HydrophobicContact CG-CB 3.98Å; A202-L330 HydrophobicContact CB-CD1 4Å; A202-V331 PolarHBondContact N-O 2.86Å; A202-H332 WeakPolarHBondContact O-CB 3.5Å; A202-G336 WeakPolarHBondContact O-CA 3.27Å
203	G	98.4	Very high	96	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-80.5	166.2	156.4	0	0	0	0	0	111.6	R180 R184	R180-G203 VanDerWaalsContact CD-O 3.22Å; R180-G203 WeakPolarHBondContact CD-O 3.27Å; R180-G203 PolarHBondContact NH1-O 3.24Å; R184-G203 PolarHBondContact O-N 2.75Å
204	Q	98.2	Very high	96.1	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.037	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-59.1	151.4	175.8	71.6	177.2	-35.9	0	0	111.5	H181 G251 G333 T334	H181-Q204 HydrophobicContact CB-CG 3.71Å; H181-Q204 PolarHBondContact N-O 2.84Å; Q204-G251 PolarHBondContact OE1-O 3.41Å; Q204-G333 PolarHBondContact N-O 3.38Å; Q204-T334 WeakPolarHBondContact CG-O 3.46Å; Q204-T334 PolarHBondContact N-O 3.04Å
205	P	98.2	Very high	96.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-73.6	147.6	170.2	32.3	-34.9	0	0	0	111.4	F179 T207 G250 G251 E253	F179-P205 HydrophobicContact CD1-CB 4.23Å; F179-P205 HydrophobicContact CE1-CB 3.49Å; F179-P205 VanDerWaalsContact CE1-CB 3.49Å; F179-P205 HydrophobicContact CZ-CB 3.77Å; F179-P205 CarbonylContact O-C 3.53Å; P205-T207 VanDerWaalsContact C-N 3.33Å; P205-T207 HydrophobicContact CB-CG2 4.22Å; P205-T207 HydrophobicContact CG-CG2 4.34Å; P205-T207 PolarHBondContact O-N 2.92Å; P205-G250 CarbonylContact O-C 3.56Å; P205-G251 PolarHBondContact O-N 3.48Å; P205-E253 HydrophobicContact CG-CG 4.35Å
206	L	97.8	Very high	96.5	Very high	44 Å²	44	40.5 Å²	40.5	23%	0.23	21%	0.205	C	C	.	.			trans	-93.2	60.5	179.8	-58.8	177.5	0	0	0	110.4	F179 H181 G249	F179-L206 WeakPolarHBondContact CE2-O 3.3Å; F179-L206 VanDerWaalsContact O-CB 3.31Å; F179-L206 WeakPolarHBondContact O-CB 3.37Å; F179-L206 VanDerWaalsContact O-CG 3.31Å; F179-L206 WeakPolarHBondContact O-CG 3.33Å; F179-L206 PolarHBondContact O-N 3.32Å; H181-L206 HydrophobicContact CB-CD2 4.07Å; L206-G249 CarbonylContact C-O 3.48Å; L206-G249 VanDerWaalsContact CA-O 3.31Å; L206-G249 WeakPolarHBondContact CA-O 3.48Å
207	T	96.3	Very high	96.7	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.067	20%	0.203	C	C	.	.			trans	-73.6	-36.1	-179	53.7	0	0	0	0	112.1	F179 P205 G211 R212 G250	F179-T207 HydrophobicContact CE2-CG2 4.28Å; F179-T207 HydrophobicContact CZ-CG2 3.76Å; P205-T207 VanDerWaalsContact C-N 3.33Å; P205-T207 HydrophobicContact CB-CG2 4.22Å; P205-T207 HydrophobicContact CG-CG2 4.34Å; P205-T207 PolarHBondContact O-N 2.92Å; T207-G211 CarbonylContact O-C 3.51Å; T207-G211 WeakPolarHBondContact O-CA 3.36Å; T207-G211 PolarHBondContact O-N 2.88Å; T207-R212 WeakPolarHBondContact O-CB 3.46Å; T207-R212 PolarHBondContact O-N 2.97Å; T207-G250 PolarHBondContact N-O 3.22Å; T207-G250 PolarHBondContact OG1-O 3.03Å
208	G	94.4	Very high	96.7	Very high	9 Å²	9	40.8 Å²	40.8	9%	0.093	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-173.5	-178.6	0	0	0	0	0	114.2	N210 G211 K246 G250	G208-N210 VanDerWaalsContact C-N 3.3Å; G208-N210 PolarHBondContact O-N 3.43Å; G208-G211 PolarHBondContact O-N 3.21Å; G208-K246 CarbonylContact C-O 3.37Å; G208-K246 WeakPolarHBondContact CA-O 3.44Å; G208-K246 WeakPolarHBondContact O-CE 3.36Å; G208-K246 VanDerWaalsContact O-CG 3.31Å; G208-K246 WeakPolarHBondContact O-CG 3.39Å; G208-G250 PolarHBondContact N-O 3.28Å
209	T	92	Very high	96.7	Very high	99 Å²	99	45.7 Å²	45.7	61%	0.607	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-34.4	176.6	50.3	0	0	0	0	112.4	G211 K246	T209-G211 PolarHBondContact O-N 3.39Å; T209-K246 PolarHBondContact N-O 3.49Å
210	N	90	Very high	96.7	Very high	157 Å²	157	45.8 Å²	45.8	84%	0.84	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.8	-179.7	-62.2	-15.4	0	0	0	113.6	G208 R212	G208-N210 VanDerWaalsContact C-N 3.3Å; G208-N210 PolarHBondContact O-N 3.43Å; N210-R212 PolarHBondContact O-N 2.99Å
211	G	90.3	Very high	96.6	Very high	39 Å²	39	45.7 Å²	45.7	40%	0.402	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	38.6	180	0	0	0	0	0	113.2	T207 G208 T209 R213	T207-G211 CarbonylContact O-C 3.51Å; T207-G211 WeakPolarHBondContact O-CA 3.36Å; T207-G211 PolarHBondContact O-N 2.88Å; G208-G211 PolarHBondContact O-N 3.21Å; T209-G211 PolarHBondContact O-N 3.39Å; G211-R213 PolarHBondContact O-N 2.92Å
212	R	94.3	Very high	96.6	Very high	125 Å²	125	47.2 Å²	47.2	47%	0.472	24%	0.236	S	C	.	.			trans	-48.1	132.5	175.4	-176.4	-178.1	179	-158	-2.6	109.4	T178 F179 T207 N210	T178-R212 PolarHBondContact O-NH1 3.36Å; F179-R212 HydrophobicContact CD2-CG 4.4Å; F179-R212 HydrophobicContact CE2-CB 4.45Å; F179-R212 HydrophobicContact CE2-CG 4.21Å; F179-R212 WeakPolarHBondContact CE2-O 3.46Å; T207-R212 WeakPolarHBondContact O-CB 3.46Å; T207-R212 PolarHBondContact O-N 2.97Å; N210-R212 PolarHBondContact O-N 2.99Å
213	R	95.8	Very high	96.5	Very high	125 Å²	125	49 Å²	49	47%	0.472	25%	0.25	S	C	.	.			trans	-113.3	148.6	-179.2	-173	179.7	173.5	-179.5	2.6	109.8	G211 E218	G211-R213 PolarHBondContact O-N 2.92Å; R213-E218 WeakPolarHBondContact CD-OE1 3.34Å; R213-E218 WeakPolarHBondContact CG-OE1 2.98Å; R213-E218 IonicContact CZ-OE1 3.57Å; R213-E218 IonicContact CZ-OE2 3.36Å; R213-E218 IonicContact NE-OE1 2.67Å; R213-E218 PolarHBondContact NE-OE1 3.15Å; R213-E218 IonicContact NE-OE2 3.24Å; R213-E218 PolarHBondContact NE-OE2 3.03Å; R213-E218 IonicContact NH2-OE1 3.64Å; R213-E218 IonicContact NH2-OE2 2.67Å; R213-E218 PolarHBondContact NH2-OE2 3.12Å
214	C	97.9	Very high	96.4	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.074	25%	0.253	C	S	.	.			trans	-131.7	106.9	173.6	-177.5	0	0	0	0	109	F179 E216 D217 E218	F179-C214 HydrophobicContact CB-CB 3.88Å; F179-C214 HydrophobicContact CD1-CB 3.42Å; F179-C214 VanDerWaalsContact CD1-CB 3.42Å; F179-C214 HydrophobicContact CD2-CB 3.8Å; F179-C214 HydrophobicContact CE1-CB 3.81Å; F179-C214 HydrophobicContact CE2-CB 4.16Å; F179-C214 HydrophobicContact CG-CB 3.4Å; F179-C214 HydrophobicContact CZ-CB 4.15Å; C214-E216 PolarHBondContact O-N 3.45Å; C214-D217 HydrophobicContact CB-CB 3.84Å; C214-D217 PolarHBondContact O-N 2.76Å; C214-D217 PolarHBondContact SG-N 3.18Å; C214-D217 VanDerWaalsContact SG-N 3.39Å; C214-E218 PolarHBondContact O-N 3.08Å
215	K	98.3	Very high	96.4	Very high	147 Å²	147	50 Å²	50	64%	0.639	26%	0.256	S	S	*	.	H	α-helix	trans	-66.2	-30.7	179.8	-69	-176.2	178.4	179.6	0	111.5	K219	K215-K219 WeakPolarHBondContact O-CB 3.48Å; K215-K219 PolarHBondContact O-N 3.28Å
216	E	98.7	Very high	96.1	Very high	51 Å²	51	53 Å²	53	24%	0.238	27%	0.267	C	S	.	.	H	α-helix	trans	-66.9	-36.9	175	-70.3	85.8	171.4	0	0	112.4	T172 K175 V176 C214 K219 L220	T172-E216 HydrophobicContact CG2-CB 3.72Å; T172-E216 HydrophobicContact CG2-CG 3.94Å; K175-E216 HydrophobicContact CB-CB 4.29Å; K175-E216 HydrophobicContact CB-CG 4.19Å; K175-E216 HydrophobicContact CD-CG 3.71Å; K175-E216 VanDerWaalsContact CD-OE1 3.3Å; K175-E216 WeakPolarHBondContact CD-OE1 3.31Å; K175-E216 IonicContact NZ-OE1 2.91Å; K175-E216 PolarHBondContact NZ-OE1 2.81Å; V176-E216 VanDerWaalsContact CG2-C 3.42Å; V176-E216 HydrophobicContact CG2-CB 3.8Å; V176-E216 WeakPolarHBondContact CG2-O 3.09Å; C214-E216 PolarHBondContact O-N 3.45Å; E216-K219 PolarHBondContact O-N 3.43Å; E216-L220 WeakPolarHBondContact O-CB 3.43Å; E216-L220 PolarHBondContact O-N 3.07Å
217	D	98.7	Very high	95.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-45.7	175.6	-173.1	82.5	0	0	0	110.1	V176 F179 R180 C214 K219 L220 I221 Y258	V176-D217 HydrophobicContact CG1-CB 4.01Å; V176-D217 WeakPolarHBondContact CG1-OD1 3.43Å; V176-D217 HydrophobicContact CG2-CB 4.24Å; F179-D217 HydrophobicContact CD1-CB 3.81Å; F179-D217 HydrophobicContact CE1-CB 4.14Å; R180-D217 IonicContact CZ-OD1 2.95Å; R180-D217 IonicContact CZ-OD2 2.64Å; R180-D217 IonicContact NE-OD1 3.76Å; R180-D217 PolarHBondContact NE-OD1 3.28Å; R180-D217 IonicContact NE-OD2 3.84Å; R180-D217 IonicContact NH2-OD1 3.72Å; R180-D217 PolarHBondContact NH2-OD1 3.32Å; R180-D217 IonicContact NH2-OD2 2.83Å; R180-D217 PolarHBondContact NH2-OD2 2.84Å; C214-D217 HydrophobicContact CB-CB 3.84Å; C214-D217 PolarHBondContact O-N 2.76Å; C214-D217 PolarHBondContact SG-N 3.18Å; C214-D217 VanDerWaalsContact SG-N 3.39Å; D217-K219 VanDerWaalsContact C-N 3.33Å; D217-K219 PolarHBondContact O-N 3.11Å; D217-L220 PolarHBondContact O-N 3.38Å; D217-I221 PolarHBondContact O-N 3.34Å; D217-Y258 PolarHBondContact OD2-OH 3Å; D217-Y258 VanDerWaalsContact OD2-OH 3.04Å
218	E	98.3	Very high	95.4	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.07	33%	0.333	C	S	.	.	H	α-helix	trans	-56.9	-45.3	173	-68.9	164	-146.2	0	0	111.9	R213 C214 N222 Y258	R213-E218 WeakPolarHBondContact CD-OE1 3.34Å; R213-E218 WeakPolarHBondContact CG-OE1 2.98Å; R213-E218 IonicContact CZ-OE1 3.57Å; R213-E218 IonicContact CZ-OE2 3.36Å; R213-E218 IonicContact NE-OE1 2.67Å; R213-E218 PolarHBondContact NE-OE1 3.15Å; R213-E218 IonicContact NE-OE2 3.24Å; R213-E218 PolarHBondContact NE-OE2 3.03Å; R213-E218 IonicContact NH2-OE1 3.64Å; R213-E218 IonicContact NH2-OE2 2.67Å; R213-E218 PolarHBondContact NH2-OE2 3.12Å; C214-E218 PolarHBondContact O-N 3.08Å; E218-N222 VanDerWaalsContact O-CB 3.23Å; E218-N222 WeakPolarHBondContact O-CB 3.4Å; E218-N222 PolarHBondContact O-N 3.39Å; E218-N222 PolarHBondContact O-ND2 3.4Å; E218-Y258 HydrophobicContact CB-CD1 4.46Å; E218-Y258 HydrophobicContact CB-CE1 4.15Å; E218-Y258 HydrophobicContact CG-CD1 3.72Å; E218-Y258 HydrophobicContact CG-CE1 3.32Å; E218-Y258 HydrophobicContact CG-CE2 4.42Å; E218-Y258 HydrophobicContact CG-CG 4.48Å
219	K	98.3	Very high	95.4	Very high	105 Å²	105	64.2 Å²	64.2	46%	0.457	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-46.7	176.9	-174.9	-171.4	173.8	-168.6	0	111.1	I168 K215 E216 D217 A223	I168-K219 HydrophobicContact CD1-CD 4.1Å; I168-K219 HydrophobicContact CD1-CG 3.87Å; K215-K219 WeakPolarHBondContact O-CB 3.48Å; K215-K219 PolarHBondContact O-N 3.28Å; E216-K219 PolarHBondContact O-N 3.43Å; D217-K219 VanDerWaalsContact C-N 3.33Å; D217-K219 PolarHBondContact O-N 3.11Å; K219-A223 WeakPolarHBondContact O-CB 3.48Å; K219-A223 PolarHBondContact O-N 2.97Å
220	L	98.6	Very high	95.5	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-52	-179.5	169.6	60.7	0	0	0	111.4	P165 I168 L173 V176 F185 P186 E216 D217 A223	P165-L220 HydrophobicContact CG-CD1 4.19Å; I168-L220 HydrophobicContact CB-CD1 4.37Å; I168-L220 HydrophobicContact CG1-CD1 3.95Å; I168-L220 HydrophobicContact CG2-CD1 4.14Å; L173-L220 HydrophobicContact CD2-CD1 4.13Å; L173-L220 HydrophobicContact CD2-CD2 4.07Å; V176-L220 HydrophobicContact CB-CD2 4.38Å; V176-L220 HydrophobicContact CG1-CD2 4.02Å; V176-L220 HydrophobicContact CG2-CB 4.41Å; V176-L220 HydrophobicContact CG2-CD2 4.21Å; F185-L220 HydrophobicContact CD2-CD2 4.46Å; P186-L220 HydrophobicContact CB-CD2 4.17Å; P186-L220 HydrophobicContact CG-CD2 4.28Å; E216-L220 WeakPolarHBondContact O-CB 3.43Å; E216-L220 PolarHBondContact O-N 3.07Å; D217-L220 PolarHBondContact O-N 3.38Å; L220-A223 WeakPolarHBondContact O-CB 3.36Å; L220-A223 PolarHBondContact O-N 2.8Å
221	I	97.7	Very high	95.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-70.1	-37.4	-177.5	70	171.6	0	0	0	111.4	P186 M200 D217 A223 T224 Y258 W261 L330	P186-I221 HydrophobicContact CB-CG2 3.99Å; P186-I221 HydrophobicContact CG-CG2 3.63Å; M200-I221 HydrophobicContact CE-CB 4.45Å; D217-I221 PolarHBondContact O-N 3.34Å; I221-A223 VanDerWaalsContact C-N 3.26Å; I221-A223 PolarHBondContact O-N 2.91Å; I221-T224 PolarHBondContact O-N 3.27Å; I221-T224 VanDerWaalsContact O-N 3.11Å; I221-T224 PolarHBondContact O-OG1 3.08Å; I221-Y258 HydrophobicContact CD1-CD1 3.33Å; I221-Y258 HydrophobicContact CD1-CE1 3.62Å; I221-Y258 HydrophobicContact CD1-CG 4.39Å; I221-Y258 HydrophobicContact CG1-CD1 4.2Å; I221-Y258 HydrophobicContact CG1-CE1 4.35Å; I221-W261 HydrophobicContact CB-CZ2 4.06Å; I221-W261 HydrophobicContact CD1-CD2 4.1Å; I221-W261 HydrophobicContact CD1-CG 3.99Å; I221-W261 HydrophobicContact CG1-CZ2 4.46Å; I221-W261 VanDerWaalsContact O-CZ2 3.28Å; I221-W261 WeakPolarHBondContact O-CZ2 3.43Å; I221-L330 HydrophobicContact CG2-CD2 4.36Å
222	N	97.6	Very high	96.2	Very high	44 Å²	44	60.9 Å²	60.9	24%	0.235	30%	0.3	C	S	.	.	H	α-helix	trans	-68	-27.4	177.2	-71	-26	0	0	0	112.6	E218 T224 L225 Q260 W261	E218-N222 VanDerWaalsContact O-CB 3.23Å; E218-N222 WeakPolarHBondContact O-CB 3.4Å; E218-N222 PolarHBondContact O-N 3.39Å; E218-N222 PolarHBondContact O-ND2 3.4Å; N222-T224 PolarHBondContact O-N 3.27Å; N222-L225 PolarHBondContact O-N 3.37Å; N222-L225 VanDerWaalsContact O-N 3.14Å; N222-Q260 PolarHBondContact OD1-OE1 3.35Å; N222-W261 VanDerWaalsContact OD1-CD1 3.31Å; N222-W261 PolarHBondContact OD1-NE1 3.25Å
223	A	97.6	Very high	96.4	Very high	37 Å²	37	55 Å²	55	31%	0.306	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.9	174	0	0	0	0	0	113.3	P165 I168 K219 L220 I221	P165-A223 HydrophobicContact CB-CB 4.06Å; P165-A223 HydrophobicContact CG-CB 4.2Å; I168-A223 HydrophobicContact CD1-CB 3.91Å; I168-A223 HydrophobicContact CG1-CB 3.99Å; K219-A223 WeakPolarHBondContact O-CB 3.48Å; K219-A223 PolarHBondContact O-N 2.97Å; L220-A223 WeakPolarHBondContact O-CB 3.36Å; L220-A223 PolarHBondContact O-N 2.8Å; I221-A223 VanDerWaalsContact C-N 3.26Å; I221-A223 PolarHBondContact O-N 2.91Å
224	T	96.6	Very high	96.6	Very high	10 Å²	10	49 Å²	49	6%	0.061	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-7.9	176.6	84.7	0	0	0	0	113.2	W143 P165 M200 I221 N222	W143-T224 HydrophobicContact CH2-CG2 3.93Å; W143-T224 HydrophobicContact CZ2-CG2 4.41Å; P165-T224 HydrophobicContact CG-CG2 3.7Å; M200-T224 HydrophobicContact CE-CG2 4.01Å; M200-T224 WeakPolarHBondContact CE-OG1 3.39Å; M200-T224 HydrophobicContact SD-CG2 3.4Å; M200-T224 WeakPolarHBondContact SD-CG2 3.3Å; I221-T224 PolarHBondContact O-N 3.27Å; I221-T224 VanDerWaalsContact O-N 3.11Å; I221-T224 PolarHBondContact O-OG1 3.08Å; N222-T224 PolarHBondContact O-N 3.27Å
225	L	96.4	Very high	96.6	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.11	25%	0.252	C	S	.	.	S	Bend	trans	-83.9	135.4	178.4	-65.4	-179.1	0	0	0	110.5	N222 Q260 W261	N222-L225 PolarHBondContact O-N 3.37Å; N222-L225 VanDerWaalsContact O-N 3.14Å; L225-Q260 HydrophobicContact CD1-CB 3.59Å; L225-Q260 HydrophobicContact CD1-CG 4.4Å; L225-W261 HydrophobicContact CD1-CZ2 4.11Å; L225-W261 HydrophobicContact CD2-CH2 3.86Å; L225-W261 HydrophobicContact CD2-CZ2 3.48Å; L225-W261 VanDerWaalsContact CD2-CZ2 3.48Å; L225-W261 HydrophobicContact CG-CH2 4.49Å; L225-W261 HydrophobicContact CG-CZ2 3.65Å
226	R	92.2	Very high	96.6	Very high	63 Å²	63	41.6 Å²	41.6	24%	0.238	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-68.3	152	167.7	-64.6	-64.8	-174.8	166.8	-3.4	110.6	E142 Y191 G196 M197 G228 K229	E142-R226 IonicContact OE1-CZ 3.47Å; E142-R226 IonicContact OE1-NH1 2.63Å; E142-R226 PolarHBondContact OE1-NH1 2.98Å; E142-R226 IonicContact OE2-CZ 2.79Å; E142-R226 IonicContact OE2-NE 3.96Å; E142-R226 IonicContact OE2-NH1 2.8Å; E142-R226 PolarHBondContact OE2-NH1 3.38Å; E142-R226 IonicContact OE2-NH2 3.96Å; E142-R226 PolarHBondContact OE2-NH2 3.11Å; Y191-R226 PolarHBondContact OH-NH2 3.37Å; G196-R226 PolarHBondContact O-NE 2.83Å; M197-R226 HydrophobicContact CE-CB 4Å; M197-R226 HydrophobicContact CE-CG 3.43Å; M197-R226 VanDerWaalsContact CE-CG 3.43Å; R226-G228 PolarHBondContact O-N 2.96Å; R226-K229 HydrophobicContact CB-CB 4.2Å; R226-K229 HydrophobicContact CB-CG 3.76Å; R226-K229 WeakPolarHBondContact O-CB 3.44Å; R226-K229 PolarHBondContact O-N 2.88Å
227	P	90.3	Very high	96.6	Very high	124 Å²	124	39.4 Å²	39.4	81%	0.805	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	129.7	177	-28	35.3	0	0	0	112.7	K229	P227-K229 PolarHBondContact O-N 2.81Å
228	G	89.8	Confident	96.4	Very high	84 Å²	84	42 Å²	42	87%	0.866	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	1.1	-179.7	0	0	0	0	0	115.5	R226	R226-G228 PolarHBondContact O-N 2.96Å
229	K	93.9	Very high	96.3	Very high	91 Å²	91	45.9 Å²	45.9	40%	0.396	25%	0.248	S	C	.	.			trans	-92.7	160.4	176	-60.2	-60.2	-171.4	168.6	0	111.8	M197 R226 P227	M197-K229 HydrophobicContact CE-CG 4.24Å; R226-K229 HydrophobicContact CB-CB 4.2Å; R226-K229 HydrophobicContact CB-CG 3.76Å; R226-K229 WeakPolarHBondContact O-CB 3.44Å; R226-K229 PolarHBondContact O-N 2.88Å; P227-K229 PolarHBondContact O-N 2.81Å
230	R	93.8	Very high	96.2	Very high	185 Å²	185	46.5 Å²	46.5	70%	0.698	26%	0.256	S	S	*	.			trans	-116.5	165	175.5	-66.2	-175.5	177.4	-159.9	-1.7	109.4	Q260	R230-Q260 WeakPolarHBondContact CA-O 3.47Å; R230-Q260 WeakPolarHBondContact CB-O 3.4Å
231	G	97.6	Very high	96.1	Very high	1 Å²	1	49 Å²	49	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	164.2	175.4	0	0	0	0	0	113	Q260 W261 R262 S328	G231-Q260 PolarHBondContact N-O 2.89Å; G231-W261 CarbonylContact O-C 3.07Å; G231-W261 WeakPolarHBondContact O-CA 3.39Å; G231-R262 PolarHBondContact O-N 2.87Å; G231-S328 CarbonylContact C-O 3.59Å; G231-S328 WeakPolarHBondContact CA-O 3.17Å
232	Y	98.6	Very high	96	Very high	39 Å²	39	49 Å²	49	15%	0.153	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140.1	171.3	-67.5	-77.5	0	0	0	110.9	R262 I264 C321 E325 A327 S328 V329 L330	Y232-R262 CarbonylContact C-O 3.6Å; Y232-R262 VanDerWaalsContact CA-O 3.26Å; Y232-R262 WeakPolarHBondContact CA-O 3.29Å; Y232-R262 HydrophobicContact CD1-CB 3.92Å; Y232-R262 HydrophobicContact CD1-CG 4.34Å; Y232-R262 HydrophobicContact CE1-CB 4.08Å; Y232-R262 HydrophobicContact CE1-CG 4.32Å; Y232-I264 HydrophobicContact CD1-CD1 3.5Å; Y232-I264 HydrophobicContact CD1-CG1 4.11Å; Y232-I264 HydrophobicContact CE1-CD1 3.91Å; Y232-I264 HydrophobicContact CG-CD1 4.19Å; Y232-C321 HydrophobicContact CD2-CB 3.85Å; Y232-C321 VanDerWaalsContact CD2-SG 3.54Å; Y232-C321 HydrophobicContact CE2-CB 4.23Å; Y232-E325 WeakPolarHBondContact CE2-OE2 3.45Å; Y232-E325 PolarHBondContact OH-OE2 2.89Å; Y232-A327 HydrophobicContact CD2-CB 3.72Å; Y232-A327 HydrophobicContact CE2-CB 3.66Å; Y232-S328 PolarHBondContact N-O 3.16Å; Y232-V329 CarbonylContact O-C 3.52Å; Y232-V329 WeakPolarHBondContact O-CA 3.32Å; Y232-L330 PolarHBondContact O-N 3.23Å
233	V	98.8	Very high	95.9	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.3	167.2	-178.3	0	0	0	0	107.8	W261 R262 R263 I264 L330 H332	V233-W261 HydrophobicContact CG2-CB 4.06Å; V233-W261 HydrophobicContact CG2-CD2 4.43Å; V233-W261 HydrophobicContact CG2-CE3 3.88Å; V233-R262 PolarHBondContact N-O 3.42Å; V233-R263 HydrophobicContact CB-CB 4.36Å; V233-R263 HydrophobicContact CB-CG 4.23Å; V233-R263 HydrophobicContact CG1-CG 4.33Å; V233-R263 CarbonylContact O-C 3.44Å; V233-R263 WeakPolarHBondContact O-CA 3.5Å; V233-I264 PolarHBondContact O-N 3.25Å; V233-L330 CarbonylContact C-O 3.52Å; V233-L330 VanDerWaalsContact CA-O 3.31Å; V233-L330 WeakPolarHBondContact CA-O 3.4Å; V233-L330 HydrophobicContact CG2-CB 4.35Å; V233-L330 HydrophobicContact CG2-CD2 4.35Å; V233-H332 VanDerWaalsContact CG1-NE2 3.25Å; V233-H332 WeakPolarHBondContact CG1-NE2 3.37Å
234	I	98.8	Very high	95.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	101.2	174.6	-59.7	178.8	0	0	0	107.6	I264 K266 T314 L317 A318 V329 L330 V331 H332	I234-I264 WeakPolarHBondContact CA-O 3.39Å; I234-K266 HydrophobicContact CG2-CB 4.27Å; I234-K266 HydrophobicContact CG2-CG 4.34Å; I234-T314 HydrophobicContact CG2-CG2 3.79Å; I234-L317 HydrophobicContact CD1-CD2 4.41Å; I234-L317 HydrophobicContact CD1-CG 4.36Å; I234-A318 HydrophobicContact CD1-CB 3.79Å; I234-V329 HydrophobicContact CD1-CG1 3.65Å; I234-V329 HydrophobicContact CG1-CG1 3.95Å; I234-L330 PolarHBondContact N-O 2.96Å; I234-V331 HydrophobicContact CB-CG2 4.49Å; I234-H332 PolarHBondContact O-N 2.94Å
235	D	98.6	Very high	95.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116	172.3	-170.7	-34.7	0	0	0	108.3	R237 I264 H265 K266 H332	D235-R237 PolarHBondContact O-N 2.97Å; D235-R237 VanDerWaalsContact O-N 3.1Å; D235-R237 VanDerWaalsContact OD1-CB 3.23Å; D235-R237 WeakPolarHBondContact OD1-CB 3.43Å; D235-R237 WeakPolarHBondContact OD1-CG 3.27Å; D235-R237 IonicContact OD1-CZ 3.32Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 IonicContact OD1-NE 3.72Å; D235-R237 PolarHBondContact OD1-NE 3.07Å; D235-R237 IonicContact OD1-NH2 2.69Å; D235-R237 IonicContact OD2-CZ 2.99Å; D235-R237 IonicContact OD2-NE 2.78Å; D235-R237 PolarHBondContact OD2-NE 2.82Å; D235-R237 IonicContact OD2-NH2 3.45Å; D235-R237 PolarHBondContact OD2-NH2 3.34Å; D235-I264 PolarHBondContact N-O 3.06Å; D235-H265 WeakPolarHBondContact O-CA 3.33Å; D235-H265 IonicContact OD2-CE1 2.79Å; D235-K266 PolarHBondContact O-N 3.4Å; D235-H332 WeakPolarHBondContact CA-O 3.23Å; D235-H332 IonicContact OD2-CE1 3.69Å
236	T	98.3	Very high	95.8	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	30%	0.302	C	S	.	.			trans	-77.2	7.8	-175	71.1	0	0	0	0	113.5	K266 I268 V331 H332 G333 S339 V343	T236-K266 CarbonylContact C-O 3.12Å; T236-K266 WeakPolarHBondContact CA-O 3.43Å; T236-I268 HydrophobicContact CG2-CD1 4.33Å; T236-I268 PolarHBondContact O-N 3.28Å; T236-V331 HydrophobicContact CG2-CG1 4.05Å; T236-H332 PolarHBondContact N-O 3.3Å; T236-G333 WeakPolarHBondContact OG1-CA 3.31Å; T236-S339 PolarHBondContact OG1-OG 3.43Å; T236-V343 HydrophobicContact CG2-CG2 4.39Å
237	R	97.4	Very high	96	Very high	5 Å²	5	57.3 Å²	57.3	2%	0.019	32%	0.317	C	S	.	.	S	Bend	trans	-104	152.8	-179.5	-54.5	168.9	-61.5	176.1	-1.8	110.2	D235 V241 A245 G251 H265 T334	D235-R237 PolarHBondContact O-N 2.97Å; D235-R237 VanDerWaalsContact O-N 3.1Å; D235-R237 VanDerWaalsContact OD1-CB 3.23Å; D235-R237 WeakPolarHBondContact OD1-CB 3.43Å; D235-R237 WeakPolarHBondContact OD1-CG 3.27Å; D235-R237 IonicContact OD1-CZ 3.32Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 IonicContact OD1-NE 3.72Å; D235-R237 PolarHBondContact OD1-NE 3.07Å; D235-R237 IonicContact OD1-NH2 2.69Å; D235-R237 IonicContact OD2-CZ 2.99Å; D235-R237 IonicContact OD2-NE 2.78Å; D235-R237 PolarHBondContact OD2-NE 2.82Å; D235-R237 IonicContact OD2-NH2 3.45Å; D235-R237 PolarHBondContact OD2-NH2 3.34Å; R237-V241 HydrophobicContact CB-CB 4.23Å; R237-V241 HydrophobicContact CB-CG1 4.08Å; R237-V241 HydrophobicContact CG-CG1 4.26Å; R237-A245 VanDerWaalsContact NH1-CB 3.32Å; R237-G251 PolarHBondContact NH2-O 3.08Å; R237-H265 PolarHBondContact O-ND1 2.79Å; R237-H265 VanDerWaalsContact O-ND1 3.12Å; R237-T334 VanDerWaalsContact CD-OG1 3.27Å; R237-T334 WeakPolarHBondContact CD-OG1 3.48Å
238	T	95.9	Very high	96.2	Very high	53 Å²	53	61.7 Å²	61.7	33%	0.325	32%	0.317	S	S	.	.			trans	-58.9	154	164.5	66.4	0	0	0	0	110	N240 V241 A242 A267	T238-N240 PolarHBondContact O-N 3.38Å; T238-V241 PolarHBondContact O-N 2.91Å; T238-V241 WeakPolarHBondContact OG1-CB 3.29Å; T238-V241 VanDerWaalsContact OG1-CG2 3.25Å; T238-V241 WeakPolarHBondContact OG1-CG2 3.23Å; T238-V241 PolarHBondContact OG1-N 3.45Å; T238-A242 PolarHBondContact O-N 3.17Å; T238-A267 HydrophobicContact CG2-CB 3.5Å
239	I	95.8	Very high	96.4	Very high	98 Å²	98	59.3 Å²	59.3	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-54.1	-43.2	175.7	-63.2	171.8	0	0	0	110.3	V241 A242 Q243 H265	I239-V241 PolarHBondContact O-N 3.06Å; I239-A242 PolarHBondContact O-N 2.86Å; I239-Q243 HydrophobicContact CG2-CG 4.35Å; I239-Q243 VanDerWaalsContact O-CG 3.27Å; I239-Q243 WeakPolarHBondContact O-CG 3.19Å; I239-Q243 PolarHBondContact O-N 2.78Å; I239-H265 HydrophobicContact CG1-CB 4.07Å
240	N	96.3	Very high	96.5	Very high	118 Å²	118	55.1 Å²	55.1	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-62.3	-45.3	-179.5	-68.1	-11.1	0	0	0	112.3	T238 A242 Q243 Q244	T238-N240 PolarHBondContact O-N 3.38Å; N240-A242 VanDerWaalsContact C-N 3.35Å; N240-Q243 PolarHBondContact O-N 2.93Å; N240-Q244 WeakPolarHBondContact O-CG 3.38Å; N240-Q244 PolarHBondContact O-N 3.14Å
241	V	95.6	Very high	96.6	Very high	53 Å²	53	46.3 Å²	46.3	32%	0.321	24%	0.243	S	C	.	.	H	α-helix	trans	-65.6	-39.7	177.8	171.6	0	0	0	0	110.9	R237 T238 I239 Q243 Q244 A245	R237-V241 HydrophobicContact CB-CB 4.23Å; R237-V241 HydrophobicContact CB-CG1 4.08Å; R237-V241 HydrophobicContact CG-CG1 4.26Å; T238-V241 PolarHBondContact O-N 2.91Å; T238-V241 WeakPolarHBondContact OG1-CB 3.29Å; T238-V241 VanDerWaalsContact OG1-CG2 3.25Å; T238-V241 WeakPolarHBondContact OG1-CG2 3.23Å; T238-V241 PolarHBondContact OG1-N 3.45Å; I239-V241 PolarHBondContact O-N 3.06Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 3.1Å; V241-Q244 PolarHBondContact O-N 3.21Å; V241-A245 WeakPolarHBondContact O-CB 3.31Å; V241-A245 PolarHBondContact O-N 3.35Å
242	A	96	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-38.5	175.7	0	0	0	0	0	112.3	T238 I239 N240 A245 K246 F252	T238-A242 PolarHBondContact O-N 3.17Å; I239-A242 PolarHBondContact O-N 2.86Å; N240-A242 VanDerWaalsContact C-N 3.35Å; A242-A245 PolarHBondContact O-N 2.93Å; A242-K246 PolarHBondContact O-N 3.3Å; A242-F252 HydrophobicContact CB-CD1 3.93Å; A242-F252 HydrophobicContact CB-CE1 4.43Å
243	Q	96.4	Very high	96.5	Very high	91 Å²	91	45.6 Å²	45.6	43%	0.425	24%	0.24	S	C	.	.	H	α-helix	trans	-68.1	-41	174.2	-67.1	-67.6	-3.4	0	0	112.3	I239 N240 V241 A245 K246 A247 F252	I239-Q243 HydrophobicContact CG2-CG 4.35Å; I239-Q243 VanDerWaalsContact O-CG 3.27Å; I239-Q243 WeakPolarHBondContact O-CG 3.19Å; I239-Q243 PolarHBondContact O-N 2.78Å; N240-Q243 PolarHBondContact O-N 2.93Å; V241-Q243 VanDerWaalsContact C-N 3.34Å; V241-Q243 PolarHBondContact O-N 3.1Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 3.35Å; Q243-K246 WeakPolarHBondContact O-CB 3.28Å; Q243-K246 PolarHBondContact O-N 3.36Å; Q243-A247 PolarHBondContact O-N 2.86Å; Q243-F252 HydrophobicContact CG-CE1 4.47Å
244	Q	96	Very high	96.2	Very high	112 Å²	112	47.6 Å²	47.6	52%	0.523	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-39.4	173.7	-72	177.1	13	0	0	111.7	N240 V241 K246 A247 R248	N240-Q244 WeakPolarHBondContact O-CG 3.38Å; N240-Q244 PolarHBondContact O-N 3.14Å; V241-Q244 PolarHBondContact O-N 3.21Å; Q244-K246 VanDerWaalsContact C-N 3.32Å; Q244-K246 PolarHBondContact O-N 2.98Å; Q244-A247 WeakPolarHBondContact O-CB 3.12Å; Q244-A247 PolarHBondContact O-N 3.17Å; Q244-R248 PolarHBondContact O-N 3.08Å; Q244-R248 VanDerWaalsContact O-N 3.17Å
245	A	94.9	Very high	95.8	Very high	15 Å²	15	53.5 Å²	53.5	12%	0.124	28%	0.282	C	S	.	.	H	α-helix	trans	-62.4	-41.2	174.2	0	0	0	0	0	111.4	R237 V241 A242 Q243 A247 R248 G249 G250	R237-A245 VanDerWaalsContact NH1-CB 3.32Å; V241-A245 WeakPolarHBondContact O-CB 3.31Å; V241-A245 PolarHBondContact O-N 3.35Å; A242-A245 PolarHBondContact O-N 2.93Å; Q243-A245 VanDerWaalsContact C-N 3.31Å; Q243-A245 PolarHBondContact O-N 3.35Å; A245-A247 VanDerWaalsContact C-N 3.33Å; A245-A247 PolarHBondContact O-N 3.11Å; A245-R248 CarbonylContact O-C 3.44Å; A245-R248 WeakPolarHBondContact O-CA 3.37Å; A245-R248 PolarHBondContact O-N 3.41Å; A245-G249 PolarHBondContact O-N 3.24Å; A245-G250 CarbonylContact O-C 3.46Å; A245-G250 WeakPolarHBondContact O-CA 3.38Å; A245-G250 PolarHBondContact O-N 3.08Å
246	K	96.4	Very high	95.5	Very high	64 Å²	64	57 Å²	57	28%	0.278	32%	0.317	S	S	.	.	H	α-helix	trans	-57.8	-43.7	172.3	-172.2	-178.3	176.5	-176.3	0	112.3	G208 T209 A242 Q243 Q244 R248 G249 G250 F252	G208-K246 CarbonylContact C-O 3.37Å; G208-K246 WeakPolarHBondContact CA-O 3.44Å; G208-K246 WeakPolarHBondContact O-CE 3.36Å; G208-K246 VanDerWaalsContact O-CG 3.31Å; G208-K246 WeakPolarHBondContact O-CG 3.39Å; T209-K246 PolarHBondContact N-O 3.49Å; A242-K246 PolarHBondContact O-N 3.3Å; Q243-K246 WeakPolarHBondContact O-CB 3.28Å; Q243-K246 PolarHBondContact O-N 3.36Å; Q244-K246 VanDerWaalsContact C-N 3.32Å; Q244-K246 PolarHBondContact O-N 2.98Å; K246-R248 PolarHBondContact O-N 3.48Å; K246-G249 PolarHBondContact O-N 3.26Å; K246-G249 VanDerWaalsContact O-N 3.15Å; K246-G250 WeakPolarHBondContact CA-O 3.33Å; K246-F252 HydrophobicContact CD-CE1 4.28Å; K246-F252 HydrophobicContact CD-CZ 4.41Å
247	A	96.1	Very high	95.4	Very high	68 Å²	68	58.8 Å²	58.8	56%	0.562	33%	0.327	S	S	*	.	H	α-helix	trans	-61.7	-26.7	176.1	0	0	0	0	0	113	Q243 Q244 A245	Q243-A247 PolarHBondContact O-N 2.86Å; Q244-A247 WeakPolarHBondContact O-CB 3.12Å; Q244-A247 PolarHBondContact O-N 3.17Å; A245-A247 VanDerWaalsContact C-N 3.33Å; A245-A247 PolarHBondContact O-N 3.11Å
248	R	95.7	Very high	95.4	Very high	215 Å²	215	58.7 Å²	58.7	81%	0.811	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	15.1	177.8	-63	179.4	-175.4	171.6	2.7	114	Q244 A245 K246	Q244-R248 PolarHBondContact O-N 3.08Å; Q244-R248 VanDerWaalsContact O-N 3.17Å; A245-R248 CarbonylContact O-C 3.44Å; A245-R248 WeakPolarHBondContact O-CA 3.37Å; A245-R248 PolarHBondContact O-N 3.41Å; K246-R248 PolarHBondContact O-N 3.48Å
249	G	94.3	Very high	95.4	Very high	35 Å²	35	60.6 Å²	60.6	36%	0.361	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-7.1	177.2	0	0	0	0	0	115.7	L206 A245 K246	L206-G249 CarbonylContact C-O 3.48Å; L206-G249 VanDerWaalsContact CA-O 3.31Å; L206-G249 WeakPolarHBondContact CA-O 3.48Å; A245-G249 PolarHBondContact O-N 3.24Å; K246-G249 PolarHBondContact O-N 3.26Å; K246-G249 VanDerWaalsContact O-N 3.15Å
250	G	96.3	Very high	95.5	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.031	33%	0.333	C	S	.	.			trans	-80.4	-144.8	167.7	0	0	0	0	0	111.9	P205 T207 G208 A245 K246	P205-G250 CarbonylContact O-C 3.56Å; T207-G250 PolarHBondContact N-O 3.22Å; T207-G250 PolarHBondContact OG1-O 3.03Å; G208-G250 PolarHBondContact N-O 3.28Å; A245-G250 CarbonylContact O-C 3.46Å; A245-G250 WeakPolarHBondContact O-CA 3.38Å; A245-G250 PolarHBondContact O-N 3.08Å; K246-G250 WeakPolarHBondContact CA-O 3.33Å
251	G	95.4	Very high	95.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.305	C	S	.	.			trans	142.2	-147.7	171.1	0	0	0	0	0	114.1	Q204 P205 R237	Q204-G251 PolarHBondContact OE1-O 3.41Å; P205-G251 PolarHBondContact O-N 3.48Å; R237-G251 PolarHBondContact NH2-O 3.08Å
252	F	96.6	Very high	95.6	Very high	20 Å²	20	59.5 Å²	59.5	9%	0.088	32%	0.318	C	S	.	.			trans	-152.8	161.2	-174.9	51.9	-94.7	0	0	0	110.5	A242 Q243 K246 S254	A242-F252 HydrophobicContact CB-CD1 3.93Å; A242-F252 HydrophobicContact CB-CE1 4.43Å; Q243-F252 HydrophobicContact CG-CE1 4.47Å; K246-F252 HydrophobicContact CD-CE1 4.28Å; K246-F252 HydrophobicContact CD-CZ 4.41Å; F252-S254 PolarHBondContact O-N 3.33Å
253	E	96.5	Very high	95.7	Very high	4 Å²	4	62 Å²	62	2%	0.019	33%	0.328	C	S	.	.			trans	-67.4	119	-179.3	-65.9	84.4	174.5	0	0	110.9	R180 P205 Y258 R263 H332	R180-E253 IonicContact CZ-OE1 2.74Å; R180-E253 VanDerWaalsContact CZ-OE1 3.26Å; R180-E253 IonicContact NH1-OE1 3.83Å; R180-E253 PolarHBondContact NH1-OE1 2.68Å; R180-E253 IonicContact NH2-OE1 3.53Å; R180-E253 PolarHBondContact NH2-OE1 2.93Å; P205-E253 HydrophobicContact CG-CG 4.35Å; E253-Y258 HydrophobicContact CB-CD2 3.48Å; E253-Y258 VanDerWaalsContact CB-CD2 3.48Å; E253-Y258 HydrophobicContact CB-CE2 3.72Å; E253-Y258 HydrophobicContact CB-CG 3.92Å; E253-Y258 HydrophobicContact CG-CD1 4.4Å; E253-Y258 HydrophobicContact CG-CD2 4.03Å; E253-Y258 HydrophobicContact CG-CE1 4.22Å; E253-Y258 HydrophobicContact CG-CE2 3.9Å; E253-Y258 HydrophobicContact CG-CG 4.27Å; E253-R263 PolarHBondContact O-NH1 2.87Å; E253-H332 IonicContact OE1-CD2 2.81Å; E253-H332 IonicContact OE1-NE2 3.88Å; E253-H332 PolarHBondContact OE1-NE2 3.49Å; E253-H332 VanDerWaalsContact OE1-NE2 3.15Å; E253-H332 IonicContact OE2-CD2 3.81Å; E253-H332 IonicContact OE2-CE1 3.58Å; E253-H332 IonicContact OE2-NE2 3.95Å; E253-H332 PolarHBondContact OE2-NE2 3.14Å
254	S	93	Very high	95.7	Very high	44 Å²	44	59.6 Å²	59.6	31%	0.308	32%	0.317	S	S	.	.			trans	-81.4	138.7	178.4	56.9	0	0	0	0	112.7	F252 G256 N257 Y258	F252-S254 PolarHBondContact O-N 3.33Å; S254-G256 PolarHBondContact O-N 3.01Å; S254-G256 VanDerWaalsContact O-N 3.13Å; S254-N257 PolarHBondContact O-N 2.81Å; S254-N257 WeakPolarHBondContact OG-CB 3.47Å; S254-N257 PolarHBondContact OG-ND2 3.1Å; S254-Y258 WeakPolarHBondContact O-CD2 3.48Å; S254-Y258 PolarHBondContact O-N 3.18Å
255	E	90.5	Very high	95.7	Very high	124 Å²	124	56.5 Å²	56.5	58%	0.579	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32.3	-177.1	-65	-176.9	171.3	0	0	113.3	N257 Y258 P259	E255-N257 VanDerWaalsContact C-N 3.33Å; E255-N257 PolarHBondContact O-N 3.04Å; E255-Y258 CarbonylContact O-C 3.41Å; E255-P259 VanDerWaalsContact O-CA 3.3Å; E255-P259 WeakPolarHBondContact O-CA 3.47Å
256	G	93.1	Very high	95.8	Very high	72 Å²	72	58.6 Å²	58.6	74%	0.742	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-29.3	176.1	0	0	0	0	0	114.4	S254	S254-G256 PolarHBondContact O-N 3.01Å; S254-G256 VanDerWaalsContact O-N 3.13Å
257	N	95.4	Very high	95.8	Very high	40 Å²	40	57.4 Å²	57.4	21%	0.214	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-25.9	178.1	-67.6	-23.7	0	0	0	112	S254 E255 P259	S254-N257 PolarHBondContact O-N 2.81Å; S254-N257 WeakPolarHBondContact OG-CB 3.47Å; S254-N257 PolarHBondContact OG-ND2 3.1Å; E255-N257 VanDerWaalsContact C-N 3.33Å; E255-N257 PolarHBondContact O-N 3.04Å; N257-P259 WeakPolarHBondContact O-CD 3.42Å
258	Y	97	Very high	95.8	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.012	29%	0.287	C	S	.	.			trans	-122.6	61.6	-178.2	-55.6	-89.6	0	0	0	111	D217 E218 I221 E253 S254 E255 Q260 W261	D217-Y258 PolarHBondContact OD2-OH 3Å; D217-Y258 VanDerWaalsContact OD2-OH 3.04Å; E218-Y258 HydrophobicContact CB-CD1 4.46Å; E218-Y258 HydrophobicContact CB-CE1 4.15Å; E218-Y258 HydrophobicContact CG-CD1 3.72Å; E218-Y258 HydrophobicContact CG-CE1 3.32Å; E218-Y258 HydrophobicContact CG-CE2 4.42Å; E218-Y258 HydrophobicContact CG-CG 4.48Å; I221-Y258 HydrophobicContact CD1-CD1 3.33Å; I221-Y258 HydrophobicContact CD1-CE1 3.62Å; I221-Y258 HydrophobicContact CD1-CG 4.39Å; I221-Y258 HydrophobicContact CG1-CD1 4.2Å; I221-Y258 HydrophobicContact CG1-CE1 4.35Å; E253-Y258 HydrophobicContact CB-CD2 3.48Å; E253-Y258 VanDerWaalsContact CB-CD2 3.48Å; E253-Y258 HydrophobicContact CB-CE2 3.72Å; E253-Y258 HydrophobicContact CB-CG 3.92Å; E253-Y258 HydrophobicContact CG-CD1 4.4Å; E253-Y258 HydrophobicContact CG-CD2 4.03Å; E253-Y258 HydrophobicContact CG-CE1 4.22Å; E253-Y258 HydrophobicContact CG-CE2 3.9Å; E253-Y258 HydrophobicContact CG-CG 4.27Å; S254-Y258 WeakPolarHBondContact O-CD2 3.48Å; S254-Y258 PolarHBondContact O-N 3.18Å; E255-Y258 CarbonylContact O-C 3.41Å; Y258-Q260 PolarHBondContact O-N 3.26Å; Y258-Q260 VanDerWaalsContact O-N 3.12Å; Y258-W261 PolarHBondContact O-N 3.33Å; Y258-W261 VanDerWaalsContact O-O 3.13Å
259	P	96.2	Very high	95.8	Very high	93 Å²	93	48.7 Å²	48.7	60%	0.604	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	-169.3	26.9	-36.8	0	0	0	114.5	E255 N257 W261	E255-P259 VanDerWaalsContact O-CA 3.3Å; E255-P259 WeakPolarHBondContact O-CA 3.47Å; N257-P259 WeakPolarHBondContact O-CD 3.42Å; P259-W261 VanDerWaalsContact C-N 3.35Å
260	Q	97.1	Very high	95.7	Very high	78 Å²	78	49.9 Å²	49.9	36%	0.364	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-6.2	176.4	-61.8	179.5	-80.1	0	0	113.1	N222 L225 R230 G231 Y258	N222-Q260 PolarHBondContact OD1-OE1 3.35Å; L225-Q260 HydrophobicContact CD1-CB 3.59Å; L225-Q260 HydrophobicContact CD1-CG 4.4Å; R230-Q260 WeakPolarHBondContact CA-O 3.47Å; R230-Q260 WeakPolarHBondContact CB-O 3.4Å; G231-Q260 PolarHBondContact N-O 2.89Å; Y258-Q260 PolarHBondContact O-N 3.26Å; Y258-Q260 VanDerWaalsContact O-N 3.12Å
261	W	97.8	Very high	95.4	Very high	8 Å²	8	51.8 Å²	51.8	3%	0.03	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.5	-173.3	-69.8	88.9	0	0	0	110.8	M200 I221 N222 L225 G231 V233 Y258 P259 L330	M200-W261 HydrophobicContact CE-CH2 3.38Å; M200-W261 HydrophobicContact CE-CZ2 3.92Å; M200-W261 HydrophobicContact CE-CZ3 4.18Å; I221-W261 HydrophobicContact CB-CZ2 4.06Å; I221-W261 HydrophobicContact CD1-CD2 4.1Å; I221-W261 HydrophobicContact CD1-CG 3.99Å; I221-W261 HydrophobicContact CG1-CZ2 4.46Å; I221-W261 VanDerWaalsContact O-CZ2 3.28Å; I221-W261 WeakPolarHBondContact O-CZ2 3.43Å; N222-W261 VanDerWaalsContact OD1-CD1 3.31Å; N222-W261 PolarHBondContact OD1-NE1 3.25Å; L225-W261 HydrophobicContact CD1-CZ2 4.11Å; L225-W261 HydrophobicContact CD2-CH2 3.86Å; L225-W261 HydrophobicContact CD2-CZ2 3.48Å; L225-W261 VanDerWaalsContact CD2-CZ2 3.48Å; L225-W261 HydrophobicContact CG-CH2 4.49Å; L225-W261 HydrophobicContact CG-CZ2 3.65Å; G231-W261 CarbonylContact O-C 3.07Å; G231-W261 WeakPolarHBondContact O-CA 3.39Å; V233-W261 HydrophobicContact CG2-CB 4.06Å; V233-W261 HydrophobicContact CG2-CD2 4.43Å; V233-W261 HydrophobicContact CG2-CE3 3.88Å; Y258-W261 PolarHBondContact O-N 3.33Å; Y258-W261 VanDerWaalsContact O-O 3.13Å; P259-W261 VanDerWaalsContact C-N 3.35Å; W261-L330 HydrophobicContact CE3-CB 4.46Å; W261-L330 HydrophobicContact CZ3-CB 3.96Å
262	R	97.3	Very high	95.2	Very high	160 Å²	160	55.6 Å²	55.6	60%	0.604	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.2	176.8	-177.7	172.3	177.2	-162.7	3.2	110.2	G231 Y232 V233	G231-R262 PolarHBondContact O-N 2.87Å; Y232-R262 CarbonylContact C-O 3.6Å; Y232-R262 VanDerWaalsContact CA-O 3.26Å; Y232-R262 WeakPolarHBondContact CA-O 3.29Å; Y232-R262 HydrophobicContact CD1-CB 3.92Å; Y232-R262 HydrophobicContact CD1-CG 4.34Å; Y232-R262 HydrophobicContact CE1-CB 4.08Å; Y232-R262 HydrophobicContact CE1-CG 4.32Å; V233-R262 PolarHBondContact N-O 3.42Å
263	R	96.8	Very high	95.1	Very high	54 Å²	54	57.1 Å²	57.1	20%	0.204	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.7	178.4	-166.7	173.2	66.8	-91	-9.8	111.5	V233 E253 H265	V233-R263 HydrophobicContact CB-CB 4.36Å; V233-R263 HydrophobicContact CB-CG 4.23Å; V233-R263 HydrophobicContact CG1-CG 4.33Å; V233-R263 CarbonylContact O-C 3.44Å; V233-R263 WeakPolarHBondContact O-CA 3.5Å; E253-R263 PolarHBondContact O-NH1 2.87Å; R263-H265 PolarHBondContact NE-NE2 3.08Å; R263-H265 VanDerWaalsContact NE-NE2 3.12Å
264	I	97.1	Very high	95.1	Very high	40 Å²	40	57 Å²	57	21%	0.205	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.4	175	-55.9	175.9	0	0	0	107.5	Y232 V233 I234 D235 K266 L317	Y232-I264 HydrophobicContact CD1-CD1 3.5Å; Y232-I264 HydrophobicContact CD1-CG1 4.11Å; Y232-I264 HydrophobicContact CE1-CD1 3.91Å; Y232-I264 HydrophobicContact CG-CD1 4.19Å; V233-I264 PolarHBondContact O-N 3.25Å; I234-I264 WeakPolarHBondContact CA-O 3.39Å; D235-I264 PolarHBondContact N-O 3.06Å; I264-K266 HydrophobicContact CG2-CG 4.34Å; I264-L317 HydrophobicContact CD1-CD2 4.37Å; I264-L317 HydrophobicContact CG2-CD2 4.13Å
265	H	96.8	Very high	95.3	Very high	47 Å²	47	55.1 Å²	55.1	22%	0.218	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.7	175.4	-72.1	-86.8	0	0	0	110.4	D235 R237 I239 R263	D235-H265 WeakPolarHBondContact O-CA 3.33Å; D235-H265 IonicContact OD2-CE1 2.79Å; R237-H265 PolarHBondContact O-ND1 2.79Å; R237-H265 VanDerWaalsContact O-ND1 3.12Å; I239-H265 HydrophobicContact CG1-CB 4.07Å; R263-H265 PolarHBondContact NE-NE2 3.08Å; R263-H265 VanDerWaalsContact NE-NE2 3.12Å
266	K	97.2	Very high	95.5	Very high	58 Å²	58	53.6 Å²	53.6	25%	0.252	28%	0.278	S	S	.	.			trans	-133.3	97.3	176.6	-75.3	-62.7	-170.9	177	0	109.8	I234 D235 T236 I264 I268 T314 L317	I234-K266 HydrophobicContact CG2-CB 4.27Å; I234-K266 HydrophobicContact CG2-CG 4.34Å; D235-K266 PolarHBondContact O-N 3.4Å; T236-K266 CarbonylContact C-O 3.12Å; T236-K266 WeakPolarHBondContact CA-O 3.43Å; I264-K266 HydrophobicContact CG2-CG 4.34Å; K266-I268 PolarHBondContact O-N 3.22Å; K266-T314 HydrophobicContact CB-CG2 3.64Å; K266-T314 WeakPolarHBondContact CB-OG1 3.33Å; K266-T314 HydrophobicContact CG-CG2 3.99Å; K266-L317 HydrophobicContact CD-CD2 4.37Å; K266-L317 HydrophobicContact CG-CD2 4.09Å
267	A	95.2	Very high	95.8	Very high	39 Å²	39	50.3 Å²	50.3	32%	0.322	24%	0.244	S	C	.	.			trans	-66.5	121.2	-172	0	0	0	0	0	111.7	T238	T238-A267 HydrophobicContact CG2-CB 3.5Å
268	I	97.3	Very high	95.9	Very high	13 Å²	13	48.4 Å²	48.4	7%	0.067	23%	0.234	C	C	.	.			trans	-122.5	126	167.7	-62.4	172.6	0	0	0	106.8	T236 K266 I311 T314 V343	T236-I268 HydrophobicContact CG2-CD1 4.33Å; T236-I268 PolarHBondContact O-N 3.28Å; K266-I268 PolarHBondContact O-N 3.22Å; I268-I311 HydrophobicContact CD1-CG1 4.14Å; I268-I311 HydrophobicContact CG1-CG1 4.3Å; I268-I311 HydrophobicContact CG2-CD1 4.43Å; I268-I311 HydrophobicContact CG2-CG1 3.9Å; I268-T314 HydrophobicContact CD1-CG2 4.32Å; I268-V343 HydrophobicContact CD1-CG2 3.62Å
269	E	95.6	Very high	95.9	Very high	88 Å²	88	50.4 Å²	50.4	41%	0.411	24%	0.244	S	C	.	.			trans	-66.8	163.9	-176.8	-68.5	-60.8	162.8	0	0	112.5	V273 L274	E269-V273 HydrophobicContact CB-CB 4.17Å; E269-V273 HydrophobicContact CB-CG1 3.87Å; E269-V273 HydrophobicContact CG-CG1 3.92Å; E269-L274 HydrophobicContact CB-CD2 3.84Å; E269-L274 HydrophobicContact CB-CG 4.42Å; E269-L274 WeakPolarHBondContact O-CD1 3.44Å
270	R	92.1	Very high	96	Very high	60 Å²	60	50.2 Å²	50.2	23%	0.226	23%	0.234	C	C	.	.			trans	-132.4	151.7	-170.8	-60.3	179.9	66.3	-168.7	1.3	112.8	N272 V273 T334 E335	R270-N272 PolarHBondContact O-N 3.13Å; R270-N272 PolarHBondContact O-OD1 3.02Å; R270-V273 PolarHBondContact O-N 2.87Å; R270-V273 VanDerWaalsContact O-N 3.09Å; R270-T334 PolarHBondContact NH1-OG1 2.92Å; R270-E335 IonicContact CZ-OE1 3.68Å; R270-E335 IonicContact CZ-OE2 2.74Å; R270-E335 IonicContact NH1-OE2 3.48Å; R270-E335 IonicContact NH2-OE1 3.4Å; R270-E335 PolarHBondContact NH2-OE1 3.45Å; R270-E335 IonicContact NH2-OE2 3.67Å; R270-E335 PolarHBondContact NH2-OE2 2.86Å
271	Y	88.8	Confident	96	Very high	43 Å²	43	46.5 Å²	46.5	17%	0.169	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	-112.1	163.6	-51.5	-27.2	0	0	0	113.6	V273 L274 Q275 E335 R379	Y271-V273 VanDerWaalsContact C-N 3.26Å; Y271-V273 PolarHBondContact O-N 3.32Å; Y271-L274 PolarHBondContact O-N 3.03Å; Y271-Q275 PolarHBondContact O-N 3.42Å; Y271-E335 PolarHBondContact OH-OE1 3.36Å; Y271-R379 VanDerWaalsContact CE1-CZ 3.42Å; Y271-R379 PolarHBondContact OH-NH2 2.78Å
272	N	91.1	Very high	96	Very high	79 Å²	79	46.3 Å²	46.3	42%	0.422	22%	0.216	S	C	.	.	H	α-helix	trans	-55.4	-37.2	-176.2	64.8	-51.7	0	0	0	113	R270 L274 Q275 E276 P390	R270-N272 PolarHBondContact O-N 3.13Å; R270-N272 PolarHBondContact O-OD1 3.02Å; N272-L274 VanDerWaalsContact C-N 3.35Å; N272-L274 PolarHBondContact O-N 3.24Å; N272-Q275 PolarHBondContact O-N 2.95Å; N272-E276 WeakPolarHBondContact O-CB 3.44Å; N272-E276 VanDerWaalsContact O-CG 3.28Å; N272-E276 WeakPolarHBondContact O-CG 3.27Å; N272-E276 PolarHBondContact O-N 2.72Å; N272-P390 HydrophobicContact CB-CG 4.46Å
273	V	95.3	Very high	95.9	Very high	52 Å²	52	44 Å²	44	32%	0.315	21%	0.213	S	C	.	.	H	α-helix	trans	-63.9	-43.6	178.9	-178.8	0	0	0	0	110.7	E269 R270 Y271 S277	E269-V273 HydrophobicContact CB-CB 4.17Å; E269-V273 HydrophobicContact CB-CG1 3.87Å; E269-V273 HydrophobicContact CG-CG1 3.92Å; R270-V273 PolarHBondContact O-N 2.87Å; R270-V273 VanDerWaalsContact O-N 3.09Å; Y271-V273 VanDerWaalsContact C-N 3.26Å; Y271-V273 PolarHBondContact O-N 3.32Å; V273-S277 WeakPolarHBondContact O-CB 3.45Å; V273-S277 PolarHBondContact O-N 2.81Å
274	L	96.9	Very high	95.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	20%	0.203	C	C	.	.	H	α-helix	trans	-70.6	-35.8	178.4	-58.7	-178.8	0	0	0	111.7	E269 Y271 N272 S277 L278 H307 A394 P395 V396 L399	E269-L274 HydrophobicContact CB-CD2 3.84Å; E269-L274 HydrophobicContact CB-CG 4.42Å; E269-L274 WeakPolarHBondContact O-CD1 3.44Å; Y271-L274 PolarHBondContact O-N 3.03Å; N272-L274 VanDerWaalsContact C-N 3.35Å; N272-L274 PolarHBondContact O-N 3.24Å; L274-S277 WeakPolarHBondContact O-CB 3.36Å; L274-S277 PolarHBondContact O-N 3.03Å; L274-L278 PolarHBondContact O-N 3.27Å; L274-L278 VanDerWaalsContact O-N 3.07Å; L274-H307 HydrophobicContact CD2-CB 4.4Å; L274-A394 HydrophobicContact CB-CB 4.39Å; L274-P395 HydrophobicContact CB-CG 4.22Å; L274-V396 HydrophobicContact CD1-CG2 4.24Å; L274-L399 HydrophobicContact CB-CD1 4.27Å; L274-L399 HydrophobicContact CD1-CD1 3.85Å; L274-L399 HydrophobicContact CD2-CD1 3.82Å; L274-L399 HydrophobicContact CG-CD1 4.2Å
275	Q	96.4	Very high	95.8	Very high	4 Å²	4	40 Å²	40	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-66.9	-45.5	175.6	-169.2	68.2	13.1	0	0	111.7	Y271 N272 S277 L278 I279 S383 P390	Y271-Q275 PolarHBondContact O-N 3.42Å; N272-Q275 PolarHBondContact O-N 2.95Å; Q275-S277 VanDerWaalsContact C-N 3.25Å; Q275-S277 PolarHBondContact O-N 3.09Å; Q275-L278 PolarHBondContact O-N 3.03Å; Q275-I279 HydrophobicContact CG-CD1 4.19Å; Q275-I279 VanDerWaalsContact O-CG1 3.31Å; Q275-I279 WeakPolarHBondContact O-CG1 3.35Å; Q275-I279 PolarHBondContact O-N 2.74Å; Q275-S383 VanDerWaalsContact NE2-C 3.33Å; Q275-S383 PolarHBondContact NE2-O 2.91Å; Q275-P390 HydrophobicContact CB-CB 4.21Å; Q275-P390 HydrophobicContact CB-CG 4.4Å; Q275-P390 HydrophobicContact CG-CB 3.93Å; Q275-P390 HydrophobicContact CG-CG 4.25Å
276	E	96	Very high	95.5	Very high	91 Å²	91	40.1 Å²	40.1	43%	0.425	20%	0.202	S	C	.	.	H	α-helix	trans	-61.2	-36.4	174.7	-74.4	174.4	-157.3	0	0	111.7	N272 I279 K280	N272-E276 WeakPolarHBondContact O-CB 3.44Å; N272-E276 VanDerWaalsContact O-CG 3.28Å; N272-E276 WeakPolarHBondContact O-CG 3.27Å; N272-E276 PolarHBondContact O-N 2.72Å; E276-I279 PolarHBondContact O-N 2.92Å; E276-K280 WeakPolarHBondContact O-CB 3.21Å; E276-K280 WeakPolarHBondContact O-CG 3.25Å; E276-K280 PolarHBondContact O-N 2.65Å
277	S	98.1	Very high	95.2	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-47.9	173.4	-179.5	0	0	0	0	111.8	V273 L274 Q275 K280 L281 S302 W304 H307	V273-S277 WeakPolarHBondContact O-CB 3.45Å; V273-S277 PolarHBondContact O-N 2.81Å; L274-S277 WeakPolarHBondContact O-CB 3.36Å; L274-S277 PolarHBondContact O-N 3.03Å; Q275-S277 VanDerWaalsContact C-N 3.25Å; Q275-S277 PolarHBondContact O-N 3.09Å; S277-K280 PolarHBondContact O-N 3.42Å; S277-L281 WeakPolarHBondContact O-CB 3.39Å; S277-L281 PolarHBondContact O-N 3.49Å; S277-S302 VanDerWaalsContact CA-O 3.28Å; S277-S302 WeakPolarHBondContact CA-O 3.49Å; S277-S302 WeakPolarHBondContact CB-O 3.18Å; S277-S302 PolarHBondContact OG-O 2.76Å; S277-W304 WeakPolarHBondContact OG-CA 3.49Å; S277-W304 PolarHBondContact OG-N 2.89Å; S277-H307 PolarHBondContact OG-CD2 2.83Å
278	L	98.1	Very high	94.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-47.7	176.5	-179.8	69.8	0	0	0	112.1	L274 Q275 K280 L281 V282 W304 A384 P395 L398 F498	L274-L278 PolarHBondContact O-N 3.27Å; L274-L278 VanDerWaalsContact O-N 3.07Å; Q275-L278 PolarHBondContact O-N 3.03Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 3.01Å; L278-L281 PolarHBondContact O-N 2.83Å; L278-V282 HydrophobicContact CD1-CG2 4.15Å; L278-V282 HydrophobicContact CG-CG2 4.4Å; L278-V282 WeakPolarHBondContact O-CG2 3.37Å; L278-V282 PolarHBondContact O-N 2.95Å; L278-W304 HydrophobicContact CB-CZ3 3.98Å; L278-W304 HydrophobicContact CD1-CH2 4.07Å; L278-W304 HydrophobicContact CD1-CZ3 3.93Å; L278-A384 HydrophobicContact CD2-CB 3.98Å; L278-A384 HydrophobicContact CG-CB 3.9Å; L278-P395 HydrophobicContact CB-CG 4.09Å; L278-P395 HydrophobicContact CD2-CB 4.13Å; L278-P395 HydrophobicContact CD2-CG 4.42Å; L278-L398 HydrophobicContact CD1-CD2 3.96Å; L278-F498 HydrophobicContact CD1-CE1 3.79Å; L278-F498 HydrophobicContact CD1-CZ 4.48Å
279	I	97	Very high	94.2	Very high	44 Å²	44	47.1 Å²	47.1	23%	0.226	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-51.6	-179.7	-66.6	164.8	0	0	0	109.7	Q275 E276 L281 V282 E283	Q275-I279 HydrophobicContact CG-CD1 4.19Å; Q275-I279 VanDerWaalsContact O-CG1 3.31Å; Q275-I279 WeakPolarHBondContact O-CG1 3.35Å; Q275-I279 PolarHBondContact O-N 2.74Å; E276-I279 PolarHBondContact O-N 2.92Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 2.91Å; I279-V282 PolarHBondContact O-N 2.88Å; I279-E283 HydrophobicContact CG2-CG 4.49Å; I279-E283 WeakPolarHBondContact O-CB 3.42Å; I279-E283 WeakPolarHBondContact O-CG 3.41Å; I279-E283 PolarHBondContact O-N 3.29Å
280	K	97.7	Very high	93.5	Very high	89 Å²	89	52.5 Å²	52.5	39%	0.387	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-38.2	178.8	-72.7	174	-178.8	170.6	0	112.9	E276 S277 L278 E283 A284	E276-K280 WeakPolarHBondContact O-CB 3.21Å; E276-K280 WeakPolarHBondContact O-CG 3.25Å; E276-K280 PolarHBondContact O-N 2.65Å; S277-K280 PolarHBondContact O-N 3.42Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 3.01Å; K280-E283 PolarHBondContact O-N 3.29Å; K280-A284 WeakPolarHBondContact O-CB 3.25Å; K280-A284 PolarHBondContact O-N 2.92Å
281	L	98.2	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-46.6	177	177.5	63.5	0	0	0	111.2	S277 L278 I279 E283 A284 C285 L299 W304 L493 F498	S277-L281 WeakPolarHBondContact O-CB 3.39Å; S277-L281 PolarHBondContact O-N 3.49Å; L278-L281 PolarHBondContact O-N 2.83Å; I279-L281 VanDerWaalsContact C-N 3.33Å; I279-L281 PolarHBondContact O-N 2.91Å; L281-E283 VanDerWaalsContact C-N 3.33Å; L281-E283 PolarHBondContact O-N 3.17Å; L281-A284 WeakPolarHBondContact O-CB 3.2Å; L281-A284 PolarHBondContact O-N 3.49Å; L281-A284 VanDerWaalsContact O-N 3.12Å; L281-C285 PolarHBondContact O-N 3.5Å; L281-C285 PolarHBondContact O-SG 2.96Å; L281-L299 HydrophobicContact CD1-CD1 3.51Å; L281-W304 HydrophobicContact CB-CB 4.49Å; L281-W304 HydrophobicContact CD1-CB 4.49Å; L281-W304 HydrophobicContact CD2-CB 3.9Å; L281-W304 HydrophobicContact CD2-CD2 3.62Å; L281-W304 HydrophobicContact CD2-CE3 4.16Å; L281-W304 HydrophobicContact CD2-CG 3.49Å; L281-W304 VanDerWaalsContact CD2-CG 3.49Å; L281-L493 HydrophobicContact CD1-CD1 3.84Å; L281-L493 HydrophobicContact CD2-CD1 4.26Å; L281-F498 HydrophobicContact CD2-CD1 3.71Å; L281-F498 HydrophobicContact CD2-CD2 3.92Å; L281-F498 HydrophobicContact CD2-CE1 3.58Å; L281-F498 HydrophobicContact CD2-CE2 3.79Å; L281-F498 HydrophobicContact CD2-CG 3.89Å; L281-F498 HydrophobicContact CD2-CZ 3.62Å; L281-F498 HydrophobicContact CG-CD1 4.26Å; L281-F498 HydrophobicContact CG-CE1 4.48Å; L281-F498 HydrophobicContact CG-CG 4.46Å
282	V	97.3	Very high	93.8	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.03	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-37.4	179.8	173.1	0	0	0	0	110.9	L76 L278 I279 A284 C285 S286 A384 Y385 F498	L76-V282 HydrophobicContact CD1-CG2 4.07Å; L76-V282 HydrophobicContact CD2-CG1 4.42Å; L76-V282 HydrophobicContact CD2-CG2 3.73Å; L278-V282 HydrophobicContact CD1-CG2 4.15Å; L278-V282 HydrophobicContact CG-CG2 4.4Å; L278-V282 WeakPolarHBondContact O-CG2 3.37Å; L278-V282 PolarHBondContact O-N 2.95Å; I279-V282 PolarHBondContact O-N 2.88Å; V282-A284 VanDerWaalsContact C-N 3.31Å; V282-A284 PolarHBondContact O-N 2.77Å; V282-C285 PolarHBondContact O-N 3.06Å; V282-S286 WeakPolarHBondContact O-CB 3.41Å; V282-S286 PolarHBondContact O-N 3.45Å; V282-S286 PolarHBondContact O-OG 2.78Å; V282-A384 HydrophobicContact CB-CB 3.82Å; V282-A384 HydrophobicContact CG1-CB 4.04Å; V282-A384 HydrophobicContact CG2-CB 3.59Å; V282-Y385 HydrophobicContact CG1-CE1 3.59Å; V282-Y385 HydrophobicContact CG1-CE2 4.47Å; V282-Y385 WeakPolarHBondContact CG1-OH 3.31Å; V282-F498 HydrophobicContact CG2-CD1 4.43Å
283	E	95.4	Very high	94	Very high	112 Å²	112	58.5 Å²	58.5	52%	0.523	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-33.9	170.7	-75.1	178	175.7	0	0	113.2	I279 K280 L281 D287	I279-E283 HydrophobicContact CG2-CG 4.49Å; I279-E283 WeakPolarHBondContact O-CB 3.42Å; I279-E283 WeakPolarHBondContact O-CG 3.41Å; I279-E283 PolarHBondContact O-N 3.29Å; K280-E283 PolarHBondContact O-N 3.29Å; L281-E283 VanDerWaalsContact C-N 3.33Å; L281-E283 PolarHBondContact O-N 3.17Å; E283-D287 PolarHBondContact O-N 3.43Å
284	A	95.9	Very high	94	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-49.3	173	0	0	0	0	0	110.7	K280 L281 V282 S286 D287 W295 K298	K280-A284 WeakPolarHBondContact O-CB 3.25Å; K280-A284 PolarHBondContact O-N 2.92Å; L281-A284 WeakPolarHBondContact O-CB 3.2Å; L281-A284 PolarHBondContact O-N 3.49Å; L281-A284 VanDerWaalsContact O-N 3.12Å; V282-A284 VanDerWaalsContact C-N 3.31Å; V282-A284 PolarHBondContact O-N 2.77Å; A284-S286 PolarHBondContact O-N 2.81Å; A284-D287 VanDerWaalsContact O-CB 3.31Å; A284-D287 WeakPolarHBondContact O-CB 3.38Å; A284-D287 PolarHBondContact O-N 3.14Å; A284-D287 VanDerWaalsContact O-N 3.1Å; A284-W295 HydrophobicContact CB-CZ3 4.29Å; A284-W295 WeakPolarHBondContact O-CZ3 3.31Å; A284-K298 HydrophobicContact CB-CB 3.62Å; A284-K298 HydrophobicContact CB-CD 4.34Å
285	C	95.1	Very high	93.9	Very high	9 Å²	9	65.2 Å²	65.2	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-30.8	-179.6	-67.3	0	0	0	0	113.2	L281 V282 F498 L499 N502	L281-C285 PolarHBondContact O-N 3.5Å; L281-C285 PolarHBondContact O-SG 2.96Å; V282-C285 PolarHBondContact O-N 3.06Å; C285-F498 WeakPolarHBondContact CB-O 3.45Å; C285-L499 HydrophobicContact CB-CD2 3.76Å; C285-N502 VanDerWaalsContact C-ND2 3.29Å; C285-N502 PolarHBondContact O-ND2 2.87Å
286	S	91.9	Very high	93.9	Very high	50 Å²	50	69.4 Å²	69.4	35%	0.35	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.3	179.5	-49.9	0	0	0	0	113.4	V282 A284 Q288	V282-S286 WeakPolarHBondContact O-CB 3.41Å; V282-S286 PolarHBondContact O-N 3.45Å; V282-S286 PolarHBondContact O-OG 2.78Å; A284-S286 PolarHBondContact O-N 2.81Å; S286-Q288 PolarHBondContact O-N 2.78Å
287	D	90.3	Very high	93.9	Very high	40 Å²	40	68.4 Å²	68.4	21%	0.214	35%	0.346	C	S	.	.			trans	-73	118.5	-180	-162.9	-26.9	0	0	0	110.6	E283 A284 S289 R294 K298	E283-D287 PolarHBondContact O-N 3.43Å; A284-D287 VanDerWaalsContact O-CB 3.31Å; A284-D287 WeakPolarHBondContact O-CB 3.38Å; A284-D287 PolarHBondContact O-N 3.14Å; A284-D287 VanDerWaalsContact O-N 3.1Å; D287-S289 VanDerWaalsContact C-N 3.29Å; D287-S289 VanDerWaalsContact OD1-CB 3.23Å; D287-S289 WeakPolarHBondContact OD1-CB 3.38Å; D287-S289 PolarHBondContact OD1-N 2.83Å; D287-S289 PolarHBondContact OD1-OG 2.89Å; D287-S289 PolarHBondContact OD2-OG 2.91Å; D287-R294 IonicContact OD1-NE 3.6Å; D287-R294 IonicContact OD1-NH2 2.92Å; D287-R294 IonicContact OD2-CZ 3.69Å; D287-R294 IonicContact OD2-NE 2.77Å; D287-R294 PolarHBondContact OD2-NE 2.71Å; D287-R294 IonicContact OD2-NH2 3.79Å; D287-R294 PolarHBondContact OD2-NH2 3.18Å; D287-K298 VanDerWaalsContact OD2-CE 3.27Å; D287-K298 WeakPolarHBondContact OD2-CE 3.26Å; D287-K298 IonicContact OD2-NZ 3.52Å; D287-K298 PolarHBondContact OD2-NZ 3.09Å
288	Q	86.7	Confident	93.9	Very high	171 Å²	171	71.1 Å²	71.1	80%	0.799	36%	0.357	S	S	*	.			trans	-84.3	-2.8	178.7	-62.9	-178	-7	0	0	113.1	S286 H290	S286-Q288 PolarHBondContact O-N 2.78Å; Q288-H290 PolarHBondContact O-N 3.34Å
289	S	83.7	Confident	93.8	Very high	46 Å²	46	72.5 Å²	72.5	32%	0.322	36%	0.364	S	S	.	.			trans	-67.5	115.7	173	63	0	0	0	0	109.5	D287 S291 R294	D287-S289 VanDerWaalsContact C-N 3.29Å; D287-S289 VanDerWaalsContact OD1-CB 3.23Å; D287-S289 WeakPolarHBondContact OD1-CB 3.38Å; D287-S289 PolarHBondContact OD1-N 2.83Å; D287-S289 PolarHBondContact OD1-OG 2.89Å; D287-S289 PolarHBondContact OD2-OG 2.91Å; S289-S291 PolarHBondContact O-N 3.45Å; S289-R294 VanDerWaalsContact OG-CD 3.27Å; S289-R294 WeakPolarHBondContact OG-CD 3.46Å; S289-R294 PolarHBondContact OG-NE 3.24Å
290	H	81.1	Confident	93.8	Very high	200 Å²	200	77.6 Å²	77.6	93%	0.926	39%	0.387	S	S	*	.			trans	-74.1	37.7	178.3	-57.5	-64.8	0	0	0	112.8	Q288	Q288-H290 PolarHBondContact O-N 3.34Å
291	S	93.6	Very high	93.8	Very high	49 Å²	49	75.9 Å²	75.9	34%	0.343	39%	0.389	S	S	.	.			trans	-103.4	118.7	-177.8	171.9	0	0	0	0	110.9	S289 R294 W295	S289-S291 PolarHBondContact O-N 3.45Å; S291-R294 PolarHBondContact O-N 3.03Å; S291-R294 PolarHBondContact OG-N 2.84Å; S291-W295 WeakPolarHBondContact O-CB 3.49Å; S291-W295 PolarHBondContact O-N 2.92Å
292	M	94.1	Very high	93.8	Very high	125 Å²	125	75.9 Å²	75.9	62%	0.616	39%	0.389	S	S	*	.	H	α-helix	trans	-62.1	-44.3	178.2	-73.1	-57.4	-58.6	0	0	112.7	R294 W295 L296	M292-R294 VanDerWaalsContact C-N 3.28Å; M292-R294 PolarHBondContact O-N 3.16Å; M292-W295 PolarHBondContact O-N 3.15Å; M292-L296 WeakPolarHBondContact O-CG 3.44Å; M292-L296 PolarHBondContact O-N 2.86Å
293	D	95.1	Very high	93.9	Very high	134 Å²	134	79.3 Å²	79.3	72%	0.717	41%	0.407	S	S	*	.	H	α-helix	trans	-60.9	-41.2	-179.6	-62.6	-32.4	0	0	0	111.4	S297	D293-S297 WeakPolarHBondContact O-CB 3.26Å; D293-S297 PolarHBondContact O-N 2.95Å
294	R	94.9	Very high	94	Very high	126 Å²	126	74 Å²	74	48%	0.475	38%	0.382	S	S	.	.	H	α-helix	trans	-70.3	-41.7	178.7	-176.7	164.3	162.9	156.9	-6.1	112.3	D287 S289 S291 M292 K298	D287-R294 IonicContact OD1-NE 3.6Å; D287-R294 IonicContact OD1-NH2 2.92Å; D287-R294 IonicContact OD2-CZ 3.69Å; D287-R294 IonicContact OD2-NE 2.77Å; D287-R294 PolarHBondContact OD2-NE 2.71Å; D287-R294 IonicContact OD2-NH2 3.79Å; D287-R294 PolarHBondContact OD2-NH2 3.18Å; S289-R294 VanDerWaalsContact OG-CD 3.27Å; S289-R294 WeakPolarHBondContact OG-CD 3.46Å; S289-R294 PolarHBondContact OG-NE 3.24Å; S291-R294 PolarHBondContact O-N 3.03Å; S291-R294 PolarHBondContact OG-N 2.84Å; M292-R294 VanDerWaalsContact C-N 3.28Å; M292-R294 PolarHBondContact O-N 3.16Å; R294-K298 HydrophobicContact CG-CD 4.41Å; R294-K298 WeakPolarHBondContact O-CB 3.23Å; R294-K298 WeakPolarHBondContact O-CG 3.43Å; R294-K298 PolarHBondContact O-N 3.11Å
295	W	95	Very high	94.1	Very high	70 Å²	70	75.7 Å²	75.7	27%	0.265	39%	0.391	S	S	.	.	H	α-helix	trans	-56.5	-54.4	173.8	167.8	-110.5	0	0	0	111.3	A284 S291 M292 S297 K298 L299 L493 L499	A284-W295 HydrophobicContact CB-CZ3 4.29Å; A284-W295 WeakPolarHBondContact O-CZ3 3.31Å; S291-W295 WeakPolarHBondContact O-CB 3.49Å; S291-W295 PolarHBondContact O-N 2.92Å; M292-W295 PolarHBondContact O-N 3.15Å; W295-S297 PolarHBondContact O-N 2.74Å; W295-K298 PolarHBondContact O-N 3.41Å; W295-L299 HydrophobicContact CZ2-CD2 4.44Å; W295-L299 WeakPolarHBondContact O-CB 3.4Å; W295-L299 PolarHBondContact O-N 3.24Å; W295-L493 HydrophobicContact CH2-CD2 3.6Å; W295-L493 HydrophobicContact CZ2-CD2 3.66Å; W295-L499 HydrophobicContact CH2-CD2 4.42Å
296	L	95.9	Very high	94.2	Very high	92 Å²	92	78.5 Å²	78.5	48%	0.482	41%	0.407	S	S	.	.	H	α-helix	trans	-64	-42.7	-178	-66.4	175.4	0	0	0	111.7	M292 K298 L299 E300	M292-L296 WeakPolarHBondContact O-CG 3.44Å; M292-L296 PolarHBondContact O-N 2.86Å; L296-K298 PolarHBondContact O-N 3.39Å; L296-L299 PolarHBondContact O-N 3.41Å; L296-E300 WeakPolarHBondContact O-CB 3.35Å; L296-E300 PolarHBondContact O-N 2.64Å
297	S	96.9	Very high	94.6	Very high	71 Å²	71	77 Å²	77	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.9	178.8	0	0	0	0	112.4	D293 W295 A301	D293-S297 WeakPolarHBondContact O-CB 3.26Å; D293-S297 PolarHBondContact O-N 2.95Å; W295-S297 PolarHBondContact O-N 2.74Å; S297-A301 VanDerWaalsContact O-CB 3.27Å; S297-A301 WeakPolarHBondContact O-CB 3.42Å; S297-A301 PolarHBondContact O-N 3.37Å
298	K	97.5	Very high	95	Very high	60 Å²	60	75.1 Å²	75.1	26%	0.261	39%	0.385	S	S	.	.	H	α-helix	trans	-68.8	-40	176.9	-77.1	-174.3	158.9	-165.6	0	112.4	A284 D287 R294 W295 L296 A301 S302	A284-K298 HydrophobicContact CB-CB 3.62Å; A284-K298 HydrophobicContact CB-CD 4.34Å; D287-K298 VanDerWaalsContact OD2-CE 3.27Å; D287-K298 WeakPolarHBondContact OD2-CE 3.26Å; D287-K298 IonicContact OD2-NZ 3.52Å; D287-K298 PolarHBondContact OD2-NZ 3.09Å; R294-K298 HydrophobicContact CG-CD 4.41Å; R294-K298 WeakPolarHBondContact O-CB 3.23Å; R294-K298 WeakPolarHBondContact O-CG 3.43Å; R294-K298 PolarHBondContact O-N 3.11Å; W295-K298 PolarHBondContact O-N 3.41Å; L296-K298 PolarHBondContact O-N 3.39Å; K298-A301 PolarHBondContact O-N 2.84Å; K298-S302 PolarHBondContact O-N 3.25Å
299	L	96.3	Very high	95.5	Very high	29 Å²	29	70 Å²	70	15%	0.152	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-47.3	176	-173.9	64.7	0	0	0	110.5	L281 W295 L296 S302 L493	L281-L299 HydrophobicContact CD1-CD1 3.51Å; W295-L299 HydrophobicContact CZ2-CD2 4.44Å; W295-L299 WeakPolarHBondContact O-CB 3.4Å; W295-L299 PolarHBondContact O-N 3.24Å; L296-L299 PolarHBondContact O-N 3.41Å; L299-S302 WeakPolarHBondContact O-CB 3.2Å; L299-S302 PolarHBondContact O-N 2.76Å; L299-S302 PolarHBondContact O-OG 3.29Å; L299-L493 HydrophobicContact CD1-CD1 4.42Å
300	E	97	Very high	96.2	Very high	152 Å²	152	70.4 Å²	70.4	71%	0.71	36%	0.357	S	S	*	.	H	α-helix	trans	-59.9	-46.6	174.1	-176.6	179.1	-164.9	0	0	111.8	L296 S302 N303	L296-E300 WeakPolarHBondContact O-CB 3.35Å; L296-E300 PolarHBondContact O-N 2.64Å; E300-S302 PolarHBondContact O-N 2.86Å; E300-S302 VanDerWaalsContact O-N 3.16Å; E300-N303 PolarHBondContact O-N 3.34Å
301	A	98.1	Very high	97.1	Very high	52 Å²	52	60.9 Å²	60.9	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-23.1	179.7	0	0	0	0	0	113.7	S297 K298 N303	S297-A301 VanDerWaalsContact O-CB 3.27Å; S297-A301 WeakPolarHBondContact O-CB 3.42Å; S297-A301 PolarHBondContact O-N 3.37Å; K298-A301 PolarHBondContact O-N 2.84Å; A301-N303 VanDerWaalsContact C-N 3.29Å; A301-N303 PolarHBondContact O-ND2 3.02Å
302	S	98.2	Very high	97.3	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-68.8	-26.2	174.1	81.5	0	0	0	0	113	S277 K298 L299 E300 W304	S277-S302 VanDerWaalsContact CA-O 3.28Å; S277-S302 WeakPolarHBondContact CA-O 3.49Å; S277-S302 WeakPolarHBondContact CB-O 3.18Å; S277-S302 PolarHBondContact OG-O 2.76Å; K298-S302 PolarHBondContact O-N 3.25Å; L299-S302 WeakPolarHBondContact O-CB 3.2Å; L299-S302 PolarHBondContact O-N 2.76Å; L299-S302 PolarHBondContact O-OG 3.29Å; E300-S302 PolarHBondContact O-N 2.86Å; E300-S302 VanDerWaalsContact O-N 3.16Å; S302-W304 PolarHBondContact O-N 2.93Å; S302-W304 VanDerWaalsContact O-N 3.1Å; S302-W304 PolarHBondContact OG-N 3.47Å
303	N	98.3	Very high	97.6	Very high	76 Å²	76	54.1 Å²	54.1	41%	0.406	28%	0.276	S	S	.	.			trans	57	10.5	-171.2	-66.1	-80	0	0	0	115.6	E300 A301 Q305 T306 H307	E300-N303 PolarHBondContact O-N 3.34Å; A301-N303 VanDerWaalsContact C-N 3.29Å; A301-N303 PolarHBondContact O-ND2 3.02Å; N303-Q305 PolarHBondContact O-N 2.65Å; N303-T306 WeakPolarHBondContact O-CA 3.24Å; N303-T306 VanDerWaalsContact O-CB 3.28Å; N303-T306 WeakPolarHBondContact O-CB 3.39Å; N303-T306 PolarHBondContact O-N 2.8Å; N303-T306 VanDerWaalsContact O-N 3.09Å; N303-H307 PolarHBondContact O-CD2 3.2Å; N303-H307 VanDerWaalsContact O-CD2 3.3Å; N303-H307 PolarHBondContact O-N 3.1Å
304	W	98.6	Very high	97.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.1	-51	-175.2	-174.9	-94.7	0	0	0	112.3	S277 L278 L281 S302 T306 H307 I308 P395 L398 L399 D402 F498	S277-W304 WeakPolarHBondContact OG-CA 3.49Å; S277-W304 PolarHBondContact OG-N 2.89Å; L278-W304 HydrophobicContact CB-CZ3 3.98Å; L278-W304 HydrophobicContact CD1-CH2 4.07Å; L278-W304 HydrophobicContact CD1-CZ3 3.93Å; L281-W304 HydrophobicContact CB-CB 4.49Å; L281-W304 HydrophobicContact CD1-CB 4.49Å; L281-W304 HydrophobicContact CD2-CB 3.9Å; L281-W304 HydrophobicContact CD2-CD2 3.62Å; L281-W304 HydrophobicContact CD2-CE3 4.16Å; L281-W304 HydrophobicContact CD2-CG 3.49Å; L281-W304 VanDerWaalsContact CD2-CG 3.49Å; S302-W304 PolarHBondContact O-N 2.93Å; S302-W304 VanDerWaalsContact O-N 3.1Å; S302-W304 PolarHBondContact OG-N 3.47Å; W304-T306 PolarHBondContact O-N 3Å; W304-H307 WeakPolarHBondContact O-CB 3.25Å; W304-H307 PolarHBondContact O-N 3.45Å; W304-I308 WeakPolarHBondContact O-CG1 3.39Å; W304-I308 PolarHBondContact O-N 2.82Å; W304-P395 HydrophobicContact CH2-CB 4.02Å; W304-P395 HydrophobicContact CH2-CG 4.03Å; W304-P395 HydrophobicContact CZ3-CB 4.26Å; W304-P395 HydrophobicContact CZ3-CG 3.79Å; W304-L398 HydrophobicContact CH2-CD2 4.04Å; W304-L398 HydrophobicContact CH2-CG 4.1Å; W304-L398 HydrophobicContact CZ2-CD2 4.44Å; W304-L398 HydrophobicContact CZ2-CG 4.22Å; W304-L399 HydrophobicContact CD2-CD2 3.93Å; W304-L399 HydrophobicContact CE3-CD2 3.97Å; W304-L399 HydrophobicContact CH2-CD1 4.5Å; W304-L399 HydrophobicContact CH2-CD2 3.52Å; W304-L399 HydrophobicContact CH2-CG 3.56Å; W304-L399 HydrophobicContact CZ2-CD2 3.45Å; W304-L399 VanDerWaalsContact CZ2-CD2 3.45Å; W304-L399 HydrophobicContact CZ2-CG 3.88Å; W304-L399 HydrophobicContact CZ3-CD2 3.77Å; W304-L399 HydrophobicContact CZ3-CG 3.97Å; W304-D402 PolarHBondContact NE1-OD2 3.03Å; W304-F498 AromaticContact CE2-CZ 3.71Å; W304-F498 HydrophobicContact CH2-CZ 4.13Å; W304-F498 HydrophobicContact CZ2-CE1 4.48Å; W304-F498 HydrophobicContact CZ2-CE2 4.15Å; W304-F498 AromaticContact CZ2-CZ 3.5Å; W304-F498 HydrophobicContact CZ2-CZ 3.5Å; W304-F498 AromaticContact NE1-CE2 3.81Å; W304-F498 AromaticContact NE1-CZ 3.97Å
305	Q	97.9	Very high	97.9	Very high	37 Å²	37	41.8 Å²	41.8	17%	0.173	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-29.5	178.3	-73.5	67.1	39.1	0	0	112.3	N303 I308 K309	N303-Q305 PolarHBondContact O-N 2.65Å; Q305-I308 PolarHBondContact O-N 3.4Å; Q305-K309 WeakPolarHBondContact O-CB 3.38Å; Q305-K309 PolarHBondContact O-N 3.03Å
306	T	98.1	Very high	98.1	Very high	67 Å²	67	39.3 Å²	39.3	41%	0.411	21%	0.213	S	C	.	.	H	α-helix	trans	-64	-44.5	172.7	-56.6	0	0	0	0	110.7	N303 W304 K309 E310	N303-T306 WeakPolarHBondContact O-CA 3.24Å; N303-T306 VanDerWaalsContact O-CB 3.28Å; N303-T306 WeakPolarHBondContact O-CB 3.39Å; N303-T306 PolarHBondContact O-N 2.8Å; N303-T306 VanDerWaalsContact O-N 3.09Å; W304-T306 PolarHBondContact O-N 3Å; T306-K309 WeakPolarHBondContact O-CB 3.42Å; T306-K309 PolarHBondContact O-N 2.81Å; T306-E310 WeakPolarHBondContact O-CG 3.21Å; T306-E310 PolarHBondContact O-N 3.44Å
307	H	98.6	Very high	98.2	Very high	19 Å²	19	36.3 Å²	36.3	9%	0.088	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-45	176.6	-60.4	-39.8	0	0	0	112.1	L274 S277 N303 W304 K309 E310 I311 L399	L274-H307 HydrophobicContact CD2-CB 4.4Å; S277-H307 PolarHBondContact OG-CD2 2.83Å; N303-H307 PolarHBondContact O-CD2 3.2Å; N303-H307 VanDerWaalsContact O-CD2 3.3Å; N303-H307 PolarHBondContact O-N 3.1Å; W304-H307 WeakPolarHBondContact O-CB 3.25Å; W304-H307 PolarHBondContact O-N 3.45Å; H307-K309 VanDerWaalsContact C-N 3.32Å; H307-K309 PolarHBondContact O-N 3.33Å; H307-E310 PolarHBondContact O-N 2.63Å; H307-I311 WeakPolarHBondContact O-CD1 3.34Å; H307-I311 VanDerWaalsContact O-CG1 3.27Å; H307-I311 WeakPolarHBondContact O-CG1 3.49Å; H307-I311 PolarHBondContact O-N 3.26Å; H307-L399 HydrophobicContact CB-CD2 4.2Å
308	I	98.8	Very high	98.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-55.9	-47.8	174.5	-63.4	-60.8	0	0	0	111	W304 Q305 E310 I311 L312 L399 D402 Q406 L491	W304-I308 WeakPolarHBondContact O-CG1 3.39Å; W304-I308 PolarHBondContact O-N 2.82Å; Q305-I308 PolarHBondContact O-N 3.4Å; I308-E310 PolarHBondContact O-N 3.35Å; I308-I311 PolarHBondContact O-N 2.96Å; I308-L312 HydrophobicContact CG2-CD1 3.84Å; I308-L312 WeakPolarHBondContact O-CB 3.45Å; I308-L312 WeakPolarHBondContact O-CG 3.38Å; I308-L312 PolarHBondContact O-N 3.43Å; I308-L399 HydrophobicContact CD1-CD2 3.63Å; I308-L399 HydrophobicContact CG1-CD2 4.28Å; I308-D402 HydrophobicContact CD1-CB 3.6Å; I308-Q406 HydrophobicContact CG2-CG 3.76Å; I308-L491 HydrophobicContact CG2-CD1 4.43Å; I308-L491 HydrophobicContact CG2-CD2 4.4Å
309	K	98.6	Very high	98.4	Very high	63 Å²	63	30.1 Å²	30.1	27%	0.274	16%	0.161	S	C	.	.	H	α-helix	trans	-57.4	-49.5	177.6	175.5	173.2	160.3	-81	0	112.3	Q305 T306 H307 T313 P488 L491	Q305-K309 WeakPolarHBondContact O-CB 3.38Å; Q305-K309 PolarHBondContact O-N 3.03Å; T306-K309 WeakPolarHBondContact O-CB 3.42Å; T306-K309 PolarHBondContact O-N 2.81Å; H307-K309 VanDerWaalsContact C-N 3.32Å; H307-K309 PolarHBondContact O-N 3.33Å; K309-T313 WeakPolarHBondContact O-CB 3.44Å; K309-T313 PolarHBondContact O-N 3.37Å; K309-T313 PolarHBondContact O-OG1 3.01Å; K309-P488 HydrophobicContact CD-CG 4.21Å; K309-L491 HydrophobicContact CB-CD1 3.57Å; K309-L491 HydrophobicContact CG-CD1 4.26Å
310	E	98.6	Very high	98.5	Very high	55 Å²	55	33 Å²	33	26%	0.257	17%	0.174	S	C	.	.	H	α-helix	trans	-68.6	-37.1	-176.3	-65.6	-49.7	130.4	0	0	112.3	T306 H307 I308 T314	T306-E310 WeakPolarHBondContact O-CG 3.21Å; T306-E310 PolarHBondContact O-N 3.44Å; H307-E310 PolarHBondContact O-N 2.63Å; I308-E310 PolarHBondContact O-N 3.35Å; E310-T314 WeakPolarHBondContact O-CB 3.41Å; E310-T314 PolarHBondContact O-N 3.39Å; E310-T314 PolarHBondContact O-OG1 2.94Å
311	I	98.8	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-52.2	174.8	-66.8	164.1	0	0	0	110.3	I268 H307 I308 T313 T314 A315 Q342 L346 L399	I268-I311 HydrophobicContact CD1-CG1 4.14Å; I268-I311 HydrophobicContact CG1-CG1 4.3Å; I268-I311 HydrophobicContact CG2-CD1 4.43Å; I268-I311 HydrophobicContact CG2-CG1 3.9Å; H307-I311 WeakPolarHBondContact O-CD1 3.34Å; H307-I311 VanDerWaalsContact O-CG1 3.27Å; H307-I311 WeakPolarHBondContact O-CG1 3.49Å; H307-I311 PolarHBondContact O-N 3.26Å; I308-I311 PolarHBondContact O-N 2.96Å; I311-T313 VanDerWaalsContact C-N 3.35Å; I311-T313 PolarHBondContact O-N 3.46Å; I311-T314 PolarHBondContact O-N 2.77Å; I311-A315 PolarHBondContact O-N 2.74Å; I311-Q342 HydrophobicContact CG2-CB 4.03Å; I311-L346 HydrophobicContact CG2-CD1 3.4Å; I311-L346 VanDerWaalsContact CG2-CD1 3.4Å; I311-L399 HydrophobicContact CD1-CB 4.18Å
312	L	98.8	Very high	98.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-40.3	178.8	-75.6	172.3	0	0	0	112.2	I308 T314 A315 C316 L346 C403 Q406 I407 V486 L491	I308-L312 HydrophobicContact CG2-CD1 3.84Å; I308-L312 WeakPolarHBondContact O-CB 3.45Å; I308-L312 WeakPolarHBondContact O-CG 3.38Å; I308-L312 PolarHBondContact O-N 3.43Å; L312-T314 VanDerWaalsContact C-N 3.26Å; L312-T314 PolarHBondContact O-N 3.2Å; L312-A315 PolarHBondContact O-N 3.4Å; L312-C316 WeakPolarHBondContact O-CB 3.45Å; L312-C316 PolarHBondContact O-N 3.49Å; L312-C316 PolarHBondContact O-SG 3.01Å; L312-L346 HydrophobicContact CD2-CD1 4.39Å; L312-L346 HydrophobicContact CD2-CD2 4.4Å; L312-C403 HydrophobicContact CD2-CB 3.8Å; L312-C403 HydrophobicContact CG-CB 4.02Å; L312-Q406 HydrophobicContact CD1-CB 3.96Å; L312-Q406 HydrophobicContact CD1-CG 4.17Å; L312-I407 HydrophobicContact CD2-CD1 3.93Å; L312-I407 HydrophobicContact CD2-CG1 4.01Å; L312-V486 HydrophobicContact CB-CG1 3.65Å; L312-L491 HydrophobicContact CD1-CD2 3.86Å
313	T	98.8	Very high	98.6	Very high	32 Å²	32	24.8 Å²	24.8	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-41	176.3	-62.6	0	0	0	0	110.9	K309 I311 L317	K309-T313 WeakPolarHBondContact O-CB 3.44Å; K309-T313 PolarHBondContact O-N 3.37Å; K309-T313 PolarHBondContact O-OG1 3.01Å; I311-T313 VanDerWaalsContact C-N 3.35Å; I311-T313 PolarHBondContact O-N 3.46Å; T313-L317 PolarHBondContact O-N 2.81Å
314	T	98.9	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70.8	-40.8	179.4	-55.1	0	0	0	0	111.8	I234 K266 I268 E310 I311 L312 L317 A318 V343	I234-T314 HydrophobicContact CG2-CG2 3.79Å; K266-T314 HydrophobicContact CB-CG2 3.64Å; K266-T314 WeakPolarHBondContact CB-OG1 3.33Å; K266-T314 HydrophobicContact CG-CG2 3.99Å; I268-T314 HydrophobicContact CD1-CG2 4.32Å; E310-T314 WeakPolarHBondContact O-CB 3.41Å; E310-T314 PolarHBondContact O-N 3.39Å; E310-T314 PolarHBondContact O-OG1 2.94Å; I311-T314 PolarHBondContact O-N 2.77Å; L312-T314 VanDerWaalsContact C-N 3.26Å; L312-T314 PolarHBondContact O-N 3.2Å; T314-L317 PolarHBondContact O-N 3.16Å; T314-A318 PolarHBondContact O-N 3.12Å; T314-V343 HydrophobicContact CG2-CB 4.44Å; T314-V343 HydrophobicContact CG2-CG1 3.99Å; T314-V343 HydrophobicContact CG2-CG2 3.51Å
315	A	98.9	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63.9	-43.1	174.3	0	0	0	0	0	112.3	I311 L312 L317 A318 A319 L346 I350	I311-A315 PolarHBondContact O-N 2.74Å; L312-A315 PolarHBondContact O-N 3.4Å; A315-L317 VanDerWaalsContact C-N 3.32Å; A315-L317 PolarHBondContact O-N 3.38Å; A315-A318 PolarHBondContact O-N 2.87Å; A315-A319 WeakPolarHBondContact O-CB 3.36Å; A315-A319 PolarHBondContact O-N 3.14Å; A315-L346 HydrophobicContact CB-CB 3.45Å; A315-L346 VanDerWaalsContact CB-CB 3.45Å; A315-L346 HydrophobicContact CB-CD1 4.32Å; A315-I350 HydrophobicContact CB-CD1 4.39Å
316	C	98.8	Very high	98.4	Very high	18 Å²	18	32.2 Å²	32.2	12%	0.122	16%	0.157	C	C	.	.	H	α-helix	trans	-60.8	-40.8	174.4	-69.9	0	0	0	0	111.5	L312 A319 Q320	L312-C316 WeakPolarHBondContact O-CB 3.45Å; L312-C316 PolarHBondContact O-N 3.49Å; L312-C316 PolarHBondContact O-SG 3.01Å; C316-A319 PolarHBondContact O-N 3.23Å; C316-Q320 VanDerWaalsContact O-CB 3.25Å; C316-Q320 WeakPolarHBondContact O-CB 3.38Å; C316-Q320 PolarHBondContact O-N 3.2Å
317	L	98.8	Very high	98.4	Very high	30 Å²	30	29.4 Å²	29.4	16%	0.157	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-47.7	174.4	175.2	63.8	0	0	0	111.5	I234 I264 K266 T313 T314 A315 A319 Q320 C321	I234-L317 HydrophobicContact CD1-CD2 4.41Å; I234-L317 HydrophobicContact CD1-CG 4.36Å; I264-L317 HydrophobicContact CD1-CD2 4.37Å; I264-L317 HydrophobicContact CG2-CD2 4.13Å; K266-L317 HydrophobicContact CD-CD2 4.37Å; K266-L317 HydrophobicContact CG-CD2 4.09Å; T313-L317 PolarHBondContact O-N 2.81Å; T314-L317 PolarHBondContact O-N 3.16Å; A315-L317 VanDerWaalsContact C-N 3.32Å; A315-L317 PolarHBondContact O-N 3.38Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 3.08Å; L317-Q320 PolarHBondContact O-N 2.89Å; L317-C321 PolarHBondContact O-N 3.38Å; L317-C321 PolarHBondContact O-SG 3.24Å
318	A	98.8	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.7	-45.4	177.9	0	0	0	0	0	111.4	M199 I234 T314 A315 C321 I322 V329 V343 A347	M199-A318 HydrophobicContact SD-CB 4.33Å; I234-A318 HydrophobicContact CD1-CB 3.79Å; T314-A318 PolarHBondContact O-N 3.12Å; A315-A318 PolarHBondContact O-N 2.87Å; A318-C321 PolarHBondContact O-N 2.66Å; A318-I322 WeakPolarHBondContact O-CG1 3.38Å; A318-I322 PolarHBondContact O-N 2.85Å; A318-V329 HydrophobicContact CB-CG1 4.43Å; A318-V343 HydrophobicContact CB-CG1 4.12Å; A318-A347 HydrophobicContact CB-CB 4.07Å
319	A	98.8	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-41.9	175.1	0	0	0	0	0	112.5	A315 C316 L317 I322 D323 A347 I350 L351 W483	A315-A319 WeakPolarHBondContact O-CB 3.36Å; A315-A319 PolarHBondContact O-N 3.14Å; C316-A319 PolarHBondContact O-N 3.23Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 3.08Å; A319-I322 PolarHBondContact O-N 3.08Å; A319-D323 WeakPolarHBondContact O-CB 3.37Å; A319-D323 PolarHBondContact O-N 3.05Å; A319-A347 HydrophobicContact CB-CB 4.42Å; A319-I350 HydrophobicContact CB-CB 4.26Å; A319-I350 HydrophobicContact CB-CG2 3.56Å; A319-L351 HydrophobicContact CB-CD1 4.2Å; A319-L351 HydrophobicContact CB-CD2 3.9Å; A319-L351 HydrophobicContact CB-CG 3.84Å; A319-W483 HydrophobicContact CB-CH2 3.96Å; A319-W483 HydrophobicContact CB-CZ3 3.84Å
320	Q	98.6	Very high	98.4	Very high	89 Å²	89	25.5 Å²	25.5	42%	0.416	12%	0.123	S	C	.	.	H	α-helix	trans	-63.8	-43.9	178.9	-177.3	178.4	2.4	0	0	112	C316 L317 I322 R324 E325 W483	C316-Q320 VanDerWaalsContact O-CB 3.25Å; C316-Q320 WeakPolarHBondContact O-CB 3.38Å; C316-Q320 PolarHBondContact O-N 3.2Å; L317-Q320 PolarHBondContact O-N 2.89Å; Q320-I322 PolarHBondContact O-N 3.2Å; Q320-R324 HydrophobicContact CG-CB 4.13Å; Q320-R324 HydrophobicContact CG-CG 4.21Å; Q320-R324 WeakPolarHBondContact O-CA 3.41Å; Q320-R324 WeakPolarHBondContact O-CB 3.43Å; Q320-R324 PolarHBondContact O-N 3Å; Q320-E325 PolarHBondContact O-N 3.04Å; Q320-E325 VanDerWaalsContact O-N 3.13Å; Q320-W483 HydrophobicContact CB-CH2 4.13Å; Q320-W483 HydrophobicContact CB-CZ3 4.05Å
321	C	98.6	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-57.3	-40.6	175.3	-69.1	0	0	0	0	111.5	Y232 L317 A318 E325 G326 A327 V329	Y232-C321 HydrophobicContact CD2-CB 3.85Å; Y232-C321 VanDerWaalsContact CD2-SG 3.54Å; Y232-C321 HydrophobicContact CE2-CB 4.23Å; L317-C321 PolarHBondContact O-N 3.38Å; L317-C321 PolarHBondContact O-SG 3.24Å; A318-C321 PolarHBondContact O-N 2.66Å; C321-E325 WeakPolarHBondContact O-CB 3.42Å; C321-G326 PolarHBondContact O-N 2.85Å; C321-A327 CarbonylContact C-O 3.58Å; C321-A327 PolarHBondContact O-N 3.28Å; C321-V329 HydrophobicContact CB-CG2 3.54Å
322	I	98.4	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-74.9	-55	-178.1	-67.6	169.1	0	0	0	111.8	H192 N195 M197 M199 A318 A319 Q320 A327 V329 L351	H192-I322 HydrophobicContact CB-CG2 3.54Å; N195-I322 PolarHBondContact ND2-O 2.95Å; M197-I322 HydrophobicContact CB-CG2 4.13Å; M199-I322 HydrophobicContact CB-CD1 3.74Å; M199-I322 HydrophobicContact CG-CD1 4.2Å; M199-I322 HydrophobicContact SD-CD1 4.14Å; A318-I322 WeakPolarHBondContact O-CG1 3.38Å; A318-I322 PolarHBondContact O-N 2.85Å; A319-I322 PolarHBondContact O-N 3.08Å; Q320-I322 PolarHBondContact O-N 3.2Å; I322-A327 WeakPolarHBondContact CA-O 3.34Å; I322-V329 HydrophobicContact CD1-CB 4.46Å; I322-V329 HydrophobicContact CD1-CG2 4.28Å; I322-V329 HydrophobicContact CG1-CB 4.46Å; I322-V329 HydrophobicContact CG1-CG2 3.84Å; I322-L351 HydrophobicContact CB-CD1 4.27Å; I322-L351 HydrophobicContact CD1-CD1 4.07Å; I322-L351 HydrophobicContact CG2-CD1 4.08Å
323	D	98.3	Very high	98.3	Very high	34 Å²	34	22.9 Å²	22.9	18%	0.182	11%	0.111	C	C	.	.	H	α-helix	trans	-80.2	-42.4	-171.2	-177.7	69.1	0	0	0	112.7	H192 A319 L351 W483	H192-D323 IonicContact CE1-OD1 2.78Å; H192-D323 PolarHBondContact CE1-OD1 2.88Å; H192-D323 IonicContact NE2-OD1 2.73Å; A319-D323 WeakPolarHBondContact O-CB 3.37Å; A319-D323 PolarHBondContact O-N 3.05Å; D323-L351 HydrophobicContact CB-CD2 3.68Å; D323-W483 HydrophobicContact CB-CH2 4.41Å; D323-W483 HydrophobicContact CB-CZ2 4.22Å
324	R	97.5	Very high	98.1	Very high	168 Å²	168	22.3 Å²	22.3	63%	0.634	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-42.9	-171.7	-56.3	-59.8	-171.7	147.8	3.8	113.4	Q320 W483	Q320-R324 HydrophobicContact CG-CB 4.13Å; Q320-R324 HydrophobicContact CG-CG 4.21Å; Q320-R324 WeakPolarHBondContact O-CA 3.41Å; Q320-R324 WeakPolarHBondContact O-CB 3.43Å; Q320-R324 PolarHBondContact O-N 3Å; R324-W483 HydrophobicContact CG-CH2 4.34Å; R324-W483 HydrophobicContact CG-CZ2 4.07Å
325	E	96.9	Very high	98	Very high	88 Å²	88	24.4 Å²	24.4	41%	0.411	12%	0.117	S	C	.	.	S	Bend	trans	-87.2	-18	-178.8	-59.1	-174.8	-158.7	0	0	112.9	Y232 Q320 C321 A327	Y232-E325 WeakPolarHBondContact CE2-OE2 3.45Å; Y232-E325 PolarHBondContact OH-OE2 2.89Å; Q320-E325 PolarHBondContact O-N 3.04Å; Q320-E325 VanDerWaalsContact O-N 3.13Å; C321-E325 WeakPolarHBondContact O-CB 3.42Å; E325-A327 VanDerWaalsContact C-N 3.35Å; E325-A327 HydrophobicContact CB-CB 4.49Å
326	G	96.9	Very high	97.9	Very high	13 Å²	13	24.5 Å²	24.5	13%	0.134	12%	0.118	C	C	.	.			trans	61.9	44.6	-175.6	0	0	0	0	0	111.8	M197 C321	M197-G326 VanDerWaalsContact CG-C 3.46Å; C321-G326 PolarHBondContact O-N 2.85Å
327	A	98.1	Very high	97.8	Very high	8 Å²	8	24.3 Å²	24.3	7%	0.066	12%	0.116	C	C	.	.			trans	-118.4	143.7	177.1	0	0	0	0	0	110.9	Y232 C321 I322 E325	Y232-A327 HydrophobicContact CD2-CB 3.72Å; Y232-A327 HydrophobicContact CE2-CB 3.66Å; C321-A327 CarbonylContact C-O 3.58Å; C321-A327 PolarHBondContact O-N 3.28Å; I322-A327 WeakPolarHBondContact CA-O 3.34Å; E325-A327 VanDerWaalsContact C-N 3.35Å; E325-A327 HydrophobicContact CB-CB 4.49Å
328	S	98.3	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	152	173	-62.6	0	0	0	0	111	V198 G231 Y232	V198-S328 PolarHBondContact N-OG 2.92Å; V198-S328 CarbonylContact O-C 3.6Å; V198-S328 VanDerWaalsContact O-CA 3.26Å; V198-S328 WeakPolarHBondContact O-CA 3.39Å; V198-S328 WeakPolarHBondContact O-CB 3.27Å; G231-S328 CarbonylContact C-O 3.59Å; G231-S328 WeakPolarHBondContact CA-O 3.17Å; Y232-S328 PolarHBondContact N-O 3.16Å
329	V	98.8	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.5	-173.4	179.4	0	0	0	0	110	V198 M199 M200 Y232 I234 A318 C321 I322 V331	V198-V329 PolarHBondContact O-N 2.93Å; M199-V329 CarbonylContact C-O 3.58Å; M199-V329 VanDerWaalsContact CA-O 3.31Å; M199-V329 WeakPolarHBondContact CA-O 3.44Å; M199-V329 HydrophobicContact CG-CB 4.39Å; M200-V329 PolarHBondContact N-O 3.09Å; Y232-V329 CarbonylContact O-C 3.52Å; Y232-V329 WeakPolarHBondContact O-CA 3.32Å; I234-V329 HydrophobicContact CD1-CG1 3.65Å; I234-V329 HydrophobicContact CG1-CG1 3.95Å; A318-V329 HydrophobicContact CB-CG1 4.43Å; C321-V329 HydrophobicContact CB-CG2 3.54Å; I322-V329 HydrophobicContact CD1-CB 4.46Å; I322-V329 HydrophobicContact CD1-CG2 4.28Å; I322-V329 HydrophobicContact CG1-CB 4.46Å; I322-V329 HydrophobicContact CG1-CG2 3.84Å; V329-V331 HydrophobicContact CG1-CG2 3.75Å
330	L	98.9	Very high	97.7	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	118.5	165.1	175.8	61.3	0	0	0	108.3	P186 M200 A202 I221 Y232 V233 I234 W261	P186-L330 HydrophobicContact CB-CD1 4.19Å; P186-L330 HydrophobicContact CG-CD1 4.38Å; M200-L330 HydrophobicContact CB-CD1 3.65Å; M200-L330 HydrophobicContact CE-CB 4.22Å; M200-L330 HydrophobicContact CE-CD1 4.5Å; A202-L330 HydrophobicContact CB-CD1 4Å; I221-L330 HydrophobicContact CG2-CD2 4.36Å; Y232-L330 PolarHBondContact O-N 3.23Å; V233-L330 CarbonylContact C-O 3.52Å; V233-L330 VanDerWaalsContact CA-O 3.31Å; V233-L330 WeakPolarHBondContact CA-O 3.4Å; V233-L330 HydrophobicContact CG2-CB 4.35Å; V233-L330 HydrophobicContact CG2-CD2 4.35Å; I234-L330 PolarHBondContact N-O 2.96Å; W261-L330 HydrophobicContact CE3-CB 4.46Å; W261-L330 HydrophobicContact CZ3-CB 3.96Å
331	V	98.9	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.2	175.4	-168.9	0	0	0	0	109.2	M199 M200 R201 A202 I234 T236 V329 T340 V343 T344	M199-V331 HydrophobicContact CG-CG2 4.26Å; M199-V331 HydrophobicContact SD-CG2 4.33Å; M200-V331 PolarHBondContact O-N 2.71Å; R201-V331 WeakPolarHBondContact CA-O 3.29Å; A202-V331 PolarHBondContact N-O 2.86Å; I234-V331 HydrophobicContact CB-CG2 4.49Å; T236-V331 HydrophobicContact CG2-CG1 4.05Å; V329-V331 HydrophobicContact CG1-CG2 3.75Å; V331-T340 HydrophobicContact CB-CG2 4.14Å; V331-T340 HydrophobicContact CG1-CG2 4.01Å; V331-T340 WeakPolarHBondContact O-CG2 3.31Å; V331-V343 HydrophobicContact CG1-CB 4.09Å; V331-V343 HydrophobicContact CG1-CG1 3.91Å; V331-V343 HydrophobicContact CG2-CG1 4.14Å; V331-T344 HydrophobicContact CB-CG2 3.93Å; V331-T344 HydrophobicContact CG1-CG2 4.49Å; V331-T344 HydrophobicContact CG2-CG2 3.88Å
332	H	98.6	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	152.2	169	66.3	82.1	0	0	0	112.2	A202 V233 I234 D235 T236 E253 T340	A202-H332 WeakPolarHBondContact O-CB 3.5Å; V233-H332 VanDerWaalsContact CG1-NE2 3.25Å; V233-H332 WeakPolarHBondContact CG1-NE2 3.37Å; I234-H332 PolarHBondContact O-N 2.94Å; D235-H332 WeakPolarHBondContact CA-O 3.23Å; D235-H332 IonicContact OD2-CE1 3.69Å; T236-H332 PolarHBondContact N-O 3.3Å; E253-H332 IonicContact OE1-CD2 2.81Å; E253-H332 IonicContact OE1-NE2 3.88Å; E253-H332 PolarHBondContact OE1-NE2 3.49Å; E253-H332 VanDerWaalsContact OE1-NE2 3.15Å; E253-H332 IonicContact OE2-CD2 3.81Å; E253-H332 IonicContact OE2-CE1 3.58Å; E253-H332 IonicContact OE2-NE2 3.95Å; E253-H332 PolarHBondContact OE2-NE2 3.14Å; H332-T340 VanDerWaalsContact C-OG1 3.32Å; H332-T340 WeakPolarHBondContact CA-OG1 3.41Å
333	G	95.7	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.01	10%	0.096	C	C	.	.			trans	-111.2	-147.4	163.8	0	0	0	0	0	108.8	Q204 T236 T340	Q204-G333 PolarHBondContact N-O 3.38Å; T236-G333 WeakPolarHBondContact OG1-CA 3.31Å; G333-T340 PolarHBondContact N-OG1 3.23Å
334	T	95.4	Very high	97.8	Very high	19 Å²	19	18.1 Å²	18.1	12%	0.117	9%	0.087	C	C	.	.	S	Bend	trans	-68.3	-62.2	173.8	-62.5	0	0	0	0	110.6	Q204 R237 R270	Q204-T334 WeakPolarHBondContact CG-O 3.46Å; Q204-T334 PolarHBondContact N-O 3.04Å; R237-T334 VanDerWaalsContact CD-OG1 3.27Å; R237-T334 WeakPolarHBondContact CD-OG1 3.48Å; R270-T334 PolarHBondContact NH1-OG1 2.92Å
335	E	96	Very high	97.9	Very high	45 Å²	45	10.1 Å²	10.1	21%	0.21	6%	0.057	C	C	.	.	S	Bend	trans	-94.7	-21.7	-179.3	-54.5	86.7	161.2	0	0	112.2	R184 R270 Y271 T337	R184-E335 WeakPolarHBondContact CD-O 3.34Å; R184-E335 PolarHBondContact NE-O 3.45Å; R270-E335 IonicContact CZ-OE1 3.68Å; R270-E335 IonicContact CZ-OE2 2.74Å; R270-E335 IonicContact NH1-OE2 3.48Å; R270-E335 IonicContact NH2-OE1 3.4Å; R270-E335 PolarHBondContact NH2-OE1 3.45Å; R270-E335 IonicContact NH2-OE2 3.67Å; R270-E335 PolarHBondContact NH2-OE2 2.86Å; Y271-E335 PolarHBondContact OH-OE1 3.36Å; E335-T337 HydrophobicContact CB-CG2 4.28Å
336	G	97.1	Very high	98	Very high	2 Å²	2	6 Å²	6	2%	0.021	4%	0.037	C	C	.	.	S	Bend	trans	72.3	28.6	-177.5	0	0	0	0	0	114	R184 A202 T340	R184-G336 PolarHBondContact NH2-O 3.13Å; A202-G336 WeakPolarHBondContact O-CA 3.27Å; G336-T340 WeakPolarHBondContact CA-OG1 3.49Å
337	T	96.9	Very high	98.1	Very high	14 Å²	14	5.3 Å²	5.3	9%	0.086	3%	0.031	C	C	.	.	S	Bend	trans	-118.1	-5.4	-176.4	52.9	0	0	0	0	114.1	E335 L341 H374	E335-T337 HydrophobicContact CB-CG2 4.28Å; T337-L341 WeakPolarHBondContact O-CD1 3.18Å; T337-H374 PolarHBondContact O-ND1 3.18Å
338	D	97.6	Very high	98.1	Very high	12 Å²	12	5 Å²	5	6%	0.064	3%	0.028	C	C	.	.	S	Bend	trans	-126.1	-98	-175	-63.7	-65.1	0	0	0	110.4	T340 L341 Q342 H374 R379 V396	D338-T340 PolarHBondContact O-N 2.86Å; D338-T340 VanDerWaalsContact O-N 3.09Å; D338-L341 WeakPolarHBondContact O-CA 3.3Å; D338-L341 WeakPolarHBondContact O-CB 3.47Å; D338-L341 PolarHBondContact O-N 3.15Å; D338-Q342 PolarHBondContact O-N 3.42Å; D338-Q342 VanDerWaalsContact O-N 3.11Å; D338-H374 IonicContact OD1-CE1 3.87Å; D338-H374 PolarHBondContact OD1-CE1 2.86Å; D338-H374 IonicContact OD1-ND1 2.68Å; D338-H374 PolarHBondContact OD1-ND1 3.29Å; D338-R379 IonicContact OD1-CZ 3.66Å; D338-R379 IonicContact OD1-NE 3.45Å; D338-R379 PolarHBondContact OD1-NE 2.8Å; D338-R379 IonicContact OD1-NH2 3.52Å; D338-R379 IonicContact OD2-CZ 2.86Å; D338-R379 IonicContact OD2-NE 2.75Å; D338-R379 IonicContact OD2-NH2 2.83Å; D338-R379 PolarHBondContact OD2-NH2 3.43Å; D338-V396 HydrophobicContact CB-CG1 3.95Å; D338-V396 HydrophobicContact CB-CG2 4.31Å
339	S	98.1	Very high	98.1	Very high	10 Å²	10	5 Å²	5	7%	0.07	3%	0.028	C	C	.	.	H	α-helix	trans	-51.9	-35.2	179.2	53.7	0	0	0	0	114.1	T236 L341 Q342 V343	T236-S339 PolarHBondContact OG1-OG 3.43Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 3Å; S339-Q342 PolarHBondContact O-N 2.85Å; S339-V343 VanDerWaalsContact O-CG2 3.3Å; S339-V343 WeakPolarHBondContact O-CG2 3.24Å; S339-V343 PolarHBondContact O-N 3.3Å
340	T	98.8	Very high	98.1	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.9	-43	173.5	-57.3	0	0	0	0	112.2	R201 V331 H332 G333 G336 D338 T344	R201-T340 HydrophobicContact CB-CG2 3.83Å; V331-T340 HydrophobicContact CB-CG2 4.14Å; V331-T340 HydrophobicContact CG1-CG2 4.01Å; V331-T340 WeakPolarHBondContact O-CG2 3.31Å; H332-T340 VanDerWaalsContact C-OG1 3.32Å; H332-T340 WeakPolarHBondContact CA-OG1 3.41Å; G333-T340 PolarHBondContact N-OG1 3.23Å; G336-T340 WeakPolarHBondContact CA-OG1 3.49Å; D338-T340 PolarHBondContact O-N 2.86Å; D338-T340 VanDerWaalsContact O-N 3.09Å; T340-T344 WeakPolarHBondContact O-CB 3.45Å; T340-T344 VanDerWaalsContact O-CG2 3.31Å; T340-T344 WeakPolarHBondContact O-CG2 3.3Å; T340-T344 PolarHBondContact O-N 2.87Å; T340-T344 PolarHBondContact O-OG1 2.83Å
341	L	98.7	Very high	98.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-74.4	-35.4	-178.8	-53.1	-174.7	0	0	0	111.1	T337 D338 S339 T344 S345 E368 W369 A372 H374	T337-L341 WeakPolarHBondContact O-CD1 3.18Å; D338-L341 WeakPolarHBondContact O-CA 3.3Å; D338-L341 WeakPolarHBondContact O-CB 3.47Å; D338-L341 PolarHBondContact O-N 3.15Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 3Å; L341-T344 WeakPolarHBondContact CA-OG1 3.47Å; L341-T344 PolarHBondContact O-OG1 2.81Å; L341-S345 WeakPolarHBondContact O-CB 3.37Å; L341-S345 PolarHBondContact O-N 3.29Å; L341-S345 PolarHBondContact O-OG 3.42Å; L341-E368 WeakPolarHBondContact CD1-O 3.39Å; L341-E368 WeakPolarHBondContact CD2-O 3.4Å; L341-W369 HydrophobicContact CB-CD2 4.45Å; L341-W369 HydrophobicContact CB-CZ2 4.4Å; L341-A372 HydrophobicContact CD1-CB 4.05Å; L341-A372 HydrophobicContact CD2-CB 3.95Å; L341-H374 HydrophobicContact CD1-CB 3.8Å
342	Q	98.8	Very high	98.1	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-57.6	-52.9	170.8	-65.2	178.5	-46.8	0	0	111	I311 D338 S339 L346 W369 V396 F400	I311-Q342 HydrophobicContact CG2-CB 4.03Å; D338-Q342 PolarHBondContact O-N 3.42Å; D338-Q342 VanDerWaalsContact O-N 3.11Å; S339-Q342 PolarHBondContact O-N 2.85Å; Q342-L346 WeakPolarHBondContact O-CB 3.03Å; Q342-L346 WeakPolarHBondContact O-CD1 3.37Å; Q342-L346 VanDerWaalsContact O-CG 3.26Å; Q342-L346 WeakPolarHBondContact O-CG 2.96Å; Q342-L346 PolarHBondContact O-N 3.17Å; Q342-W369 HydrophobicContact CG-CH2 3.73Å; Q342-W369 HydrophobicContact CG-CZ2 4.2Å; Q342-V396 HydrophobicContact CG-CG1 3.98Å; Q342-V396 PolarHBondContact NE2-O 2.81Å; Q342-F400 HydrophobicContact CG-CB 4.28Å
343	V	98.9	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.8	-48.3	-177.7	170.9	0	0	0	0	111.6	T236 I268 T314 A318 V331 S339 A347	T236-V343 HydrophobicContact CG2-CG2 4.39Å; I268-V343 HydrophobicContact CD1-CG2 3.62Å; T314-V343 HydrophobicContact CG2-CB 4.44Å; T314-V343 HydrophobicContact CG2-CG1 3.99Å; T314-V343 HydrophobicContact CG2-CG2 3.51Å; A318-V343 HydrophobicContact CB-CG1 4.12Å; V331-V343 HydrophobicContact CG1-CB 4.09Å; V331-V343 HydrophobicContact CG1-CG1 3.91Å; V331-V343 HydrophobicContact CG2-CG1 4.14Å; S339-V343 VanDerWaalsContact O-CG2 3.3Å; S339-V343 WeakPolarHBondContact O-CG2 3.24Å; S339-V343 PolarHBondContact O-N 3.3Å; V343-A347 VanDerWaalsContact O-CB 3.27Å; V343-A347 WeakPolarHBondContact O-CB 3.36Å; V343-A347 PolarHBondContact O-N 2.97Å
344	T	98.9	Very high	98.1	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-67.5	-36.7	-177.9	47.7	0	0	0	0	112.5	M199 R201 V331 T340 L341 Q348 E368	M199-T344 HydrophobicContact CE-CG2 4.13Å; M199-T344 WeakPolarHBondContact CE-O 3.24Å; M199-T344 HydrophobicContact CG-CG2 4.17Å; M199-T344 HydrophobicContact SD-CG2 3.96Å; R201-T344 HydrophobicContact CB-CG2 4.35Å; V331-T344 HydrophobicContact CB-CG2 3.93Å; V331-T344 HydrophobicContact CG1-CG2 4.49Å; V331-T344 HydrophobicContact CG2-CG2 3.88Å; T340-T344 WeakPolarHBondContact O-CB 3.45Å; T340-T344 VanDerWaalsContact O-CG2 3.31Å; T340-T344 WeakPolarHBondContact O-CG2 3.3Å; T340-T344 PolarHBondContact O-N 2.87Å; T340-T344 PolarHBondContact O-OG1 2.83Å; L341-T344 WeakPolarHBondContact CA-OG1 3.47Å; L341-T344 PolarHBondContact O-OG1 2.81Å; T344-Q348 VanDerWaalsContact O-CG 3.3Å; T344-Q348 WeakPolarHBondContact O-CG 3.3Å; T344-Q348 PolarHBondContact O-N 3.09Å; T344-Q348 PolarHBondContact O-NE2 3.47Å; T344-Q348 VanDerWaalsContact O-NE2 3.16Å; T344-E368 PolarHBondContact OG1-OE2 2.97Å
345	S	98.9	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69	-46.9	175.9	-57.1	0	0	0	0	111.9	L341 A347 Q348 I349 E368 W369 F400	L341-S345 WeakPolarHBondContact O-CB 3.37Å; L341-S345 PolarHBondContact O-N 3.29Å; L341-S345 PolarHBondContact O-OG 3.42Å; S345-A347 PolarHBondContact O-N 3.49Å; S345-Q348 WeakPolarHBondContact O-CB 3.27Å; S345-Q348 PolarHBondContact O-N 3.02Å; S345-Q348 VanDerWaalsContact O-N 3.17Å; S345-I349 WeakPolarHBondContact O-CG1 3.49Å; S345-I349 PolarHBondContact O-N 3.42Å; S345-E368 VanDerWaalsContact OG-CB 3.27Å; S345-E368 WeakPolarHBondContact OG-CB 3.27Å; S345-W369 PolarHBondContact OG-NE1 2.97Å; S345-F400 VanDerWaalsContact CB-CE2 3.43Å
346	L	98.9	Very high	98.3	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.7	-38.3	-179.2	-71.6	165.5	0	0	0	112.3	I311 L312 A315 Q342 Q348 I349 I350 F400 C403 V404 I407	I311-L346 HydrophobicContact CG2-CD1 3.4Å; I311-L346 VanDerWaalsContact CG2-CD1 3.4Å; L312-L346 HydrophobicContact CD2-CD1 4.39Å; L312-L346 HydrophobicContact CD2-CD2 4.4Å; A315-L346 HydrophobicContact CB-CB 3.45Å; A315-L346 VanDerWaalsContact CB-CB 3.45Å; A315-L346 HydrophobicContact CB-CD1 4.32Å; Q342-L346 WeakPolarHBondContact O-CB 3.03Å; Q342-L346 WeakPolarHBondContact O-CD1 3.37Å; Q342-L346 VanDerWaalsContact O-CG 3.26Å; Q342-L346 WeakPolarHBondContact O-CG 2.96Å; Q342-L346 PolarHBondContact O-N 3.17Å; L346-Q348 VanDerWaalsContact C-N 3.28Å; L346-Q348 PolarHBondContact O-N 3.09Å; L346-I349 HydrophobicContact CD2-CD1 4.46Å; L346-I349 PolarHBondContact O-N 2.93Å; L346-I350 WeakPolarHBondContact O-CG1 3.45Å; L346-I350 PolarHBondContact O-N 3.41Å; L346-F400 HydrophobicContact CD1-CD2 4.43Å; L346-F400 HydrophobicContact CD2-CD2 4.02Å; L346-F400 HydrophobicContact CD2-CE2 4.01Å; L346-F400 HydrophobicContact CG-CD2 3.87Å; L346-F400 HydrophobicContact CG-CE2 4.03Å; L346-C403 HydrophobicContact CD1-CB 3.56Å; L346-C403 HydrophobicContact CD2-CB 3.61Å; L346-C403 HydrophobicContact CG-CB 4.23Å; L346-V404 HydrophobicContact CD2-CG2 3.83Å; L346-I407 HydrophobicContact CD2-CD1 4.04Å
347	A	98.9	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.6	-37.9	173.4	0	0	0	0	0	111.5	M199 A318 A319 V343 S345 I350 L351	M199-A347 HydrophobicContact CE-CB 3.96Å; M199-A347 HydrophobicContact SD-CB 3.9Å; A318-A347 HydrophobicContact CB-CB 4.07Å; A319-A347 HydrophobicContact CB-CB 4.42Å; V343-A347 VanDerWaalsContact O-CB 3.27Å; V343-A347 WeakPolarHBondContact O-CB 3.36Å; V343-A347 PolarHBondContact O-N 2.97Å; S345-A347 PolarHBondContact O-N 3.49Å; A347-I350 PolarHBondContact O-N 2.95Å; A347-L351 WeakPolarHBondContact O-CB 3.44Å; A347-L351 WeakPolarHBondContact O-CD1 3.17Å; A347-L351 WeakPolarHBondContact O-CG 3.19Å; A347-L351 PolarHBondContact O-N 3.01Å
348	Q	98.8	Very high	98.5	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-66.1	-39.6	174.3	-74.4	177.9	77.9	0	0	112.7	S189 Y190 M199 T344 S345 L346 I350 L351 D352 L364 E368	S189-Q348 PolarHBondContact O-OE1 3.48Å; S189-Q348 PolarHBondContact OG-NE2 3Å; S189-Q348 VanDerWaalsContact OG-NE2 3.09Å; Y190-Q348 HydrophobicContact CD2-CG 3.72Å; Y190-Q348 HydrophobicContact CG-CG 3.81Å; M199-Q348 HydrophobicContact CE-CG 3.82Å; T344-Q348 VanDerWaalsContact O-CG 3.3Å; T344-Q348 WeakPolarHBondContact O-CG 3.3Å; T344-Q348 PolarHBondContact O-N 3.09Å; T344-Q348 PolarHBondContact O-NE2 3.47Å; T344-Q348 VanDerWaalsContact O-NE2 3.16Å; S345-Q348 WeakPolarHBondContact O-CB 3.27Å; S345-Q348 PolarHBondContact O-N 3.02Å; S345-Q348 VanDerWaalsContact O-N 3.17Å; L346-Q348 VanDerWaalsContact C-N 3.28Å; L346-Q348 PolarHBondContact O-N 3.09Å; Q348-I350 VanDerWaalsContact C-N 3.32Å; Q348-I350 PolarHBondContact O-N 3.01Å; Q348-L351 PolarHBondContact O-N 2.82Å; Q348-D352 WeakPolarHBondContact O-CA 3.33Å; Q348-D352 WeakPolarHBondContact O-CB 3.34Å; Q348-D352 PolarHBondContact O-N 3.45Å; Q348-L364 HydrophobicContact CB-CD1 3.97Å; Q348-L364 HydrophobicContact CG-CD1 4.49Å; Q348-E368 VanDerWaalsContact NE2-CD 3.29Å; Q348-E368 PolarHBondContact NE2-OE1 3.36Å
349	I	98.9	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.4	-40.8	175.4	-68.6	166.2	0	0	0	111.6	S345 L346 C355 R356 F361 L364 F400 V404 I407 F415	S345-I349 WeakPolarHBondContact O-CG1 3.49Å; S345-I349 PolarHBondContact O-N 3.42Å; L346-I349 HydrophobicContact CD2-CD1 4.46Å; L346-I349 PolarHBondContact O-N 2.93Å; I349-C355 HydrophobicContact CG1-CB 4.09Å; I349-R356 HydrophobicContact CG2-CG 4.34Å; I349-R356 PolarHBondContact O-NE 2.94Å; I349-R356 VanDerWaalsContact O-NE 3.07Å; I349-F361 HydrophobicContact CD1-CD2 4.21Å; I349-F361 HydrophobicContact CD1-CE2 3.63Å; I349-F361 HydrophobicContact CG1-CE2 4.47Å; I349-L364 HydrophobicContact CD1-CD2 3.76Å; I349-L364 HydrophobicContact CG1-CD2 3.57Å; I349-F400 HydrophobicContact CD1-CE2 3.95Å; I349-F400 HydrophobicContact CD1-CZ 4Å; I349-V404 HydrophobicContact CD1-CG1 4.45Å; I349-V404 HydrophobicContact CD1-CG2 3.55Å; I349-I407 HydrophobicContact CG2-CD1 4.37Å; I349-F415 HydrophobicContact CG2-CE1 3.7Å; I349-F415 HydrophobicContact CG2-CZ 3.75Å
350	I	98.9	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.7	-48.7	175.9	-73.9	165.9	0	0	0	110.9	A315 A319 L346 A347 Q348 I407 V481 I482 W483 P484	A315-I350 HydrophobicContact CB-CD1 4.39Å; A319-I350 HydrophobicContact CB-CB 4.26Å; A319-I350 HydrophobicContact CB-CG2 3.56Å; L346-I350 WeakPolarHBondContact O-CG1 3.45Å; L346-I350 PolarHBondContact O-N 3.41Å; A347-I350 PolarHBondContact O-N 2.95Å; Q348-I350 VanDerWaalsContact C-N 3.32Å; Q348-I350 PolarHBondContact O-N 3.01Å; I350-I407 HydrophobicContact CG1-CD1 4.25Å; I350-V481 HydrophobicContact CG2-CG1 3.8Å; I350-V481 WeakPolarHBondContact O-CA 3.22Å; I350-V481 WeakPolarHBondContact O-CG1 3.37Å; I350-I482 VanDerWaalsContact CG2-O 3.29Å; I350-I482 WeakPolarHBondContact CG2-O 3.3Å; I350-I482 PolarHBondContact O-N 3.19Å; I350-I482 VanDerWaalsContact O-N 3.11Å; I350-W483 HydrophobicContact CG2-CE3 4.38Å; I350-W483 HydrophobicContact CG2-CZ3 4.32Å; I350-P484 HydrophobicContact CD1-CG 4.2Å; I350-P484 HydrophobicContact CG1-CG 4.39Å
351	L	98.8	Very high	98.5	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-81.1	-40.2	-171.3	-68.2	170.3	0	0	0	113.8	Y190 A319 I322 D323 A347 Q348 V481	Y190-L351 HydrophobicContact CD1-CD1 4.01Å; Y190-L351 HydrophobicContact CE1-CB 4.12Å; Y190-L351 HydrophobicContact CE1-CD1 3.67Å; A319-L351 HydrophobicContact CB-CD1 4.2Å; A319-L351 HydrophobicContact CB-CD2 3.9Å; A319-L351 HydrophobicContact CB-CG 3.84Å; I322-L351 HydrophobicContact CB-CD1 4.27Å; I322-L351 HydrophobicContact CD1-CD1 4.07Å; I322-L351 HydrophobicContact CG2-CD1 4.08Å; D323-L351 HydrophobicContact CB-CD2 3.68Å; A347-L351 WeakPolarHBondContact O-CB 3.44Å; A347-L351 WeakPolarHBondContact O-CD1 3.17Å; A347-L351 WeakPolarHBondContact O-CG 3.19Å; A347-L351 PolarHBondContact O-N 3.01Å; Q348-L351 PolarHBondContact O-N 2.82Å; L351-V481 HydrophobicContact CD2-CG1 4.14Å; L351-V481 HydrophobicContact CD2-CG2 4.42Å
352	D	97.9	Very high	98.5	Very high	26 Å²	26	13.6 Å²	13.6	14%	0.139	8%	0.082	C	C	.	.			trans	-113.8	114.3	-166.3	-162.8	-26.6	0	0	0	111.7	Y190 Q348 A354 C355	Y190-D352 HydrophobicContact CE2-CB 3.88Å; Q348-D352 WeakPolarHBondContact O-CA 3.33Å; Q348-D352 WeakPolarHBondContact O-CB 3.34Å; Q348-D352 PolarHBondContact O-N 3.45Å; D352-A354 PolarHBondContact O-N 3.19Å; D352-A354 VanDerWaalsContact OD1-CB 3.27Å; D352-A354 WeakPolarHBondContact OD1-CB 3.44Å; D352-A354 PolarHBondContact OD1-N 3.12Å; D352-C355 WeakPolarHBondContact O-CB 3.27Å; D352-C355 PolarHBondContact O-N 2.96Å
353	P	97.6	Very high	98.5	Very high	41 Å²	41	15 Å²	15	27%	0.266	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-61.5	-25.4	176.2	28.5	-37.7	0	0	0	113.7	C355 R356 N478	P353-C355 PolarHBondContact O-N 3.39Å; P353-R356 WeakPolarHBondContact O-CB 3.4Å; P353-R356 PolarHBondContact O-N 3.27Å; P353-N478 WeakPolarHBondContact CB-O 3.24Å
354	A	97	Very high	98.5	Very high	49 Å²	49	15 Å²	15	41%	0.405	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-60.5	-37.3	176.8	0	0	0	0	0	111	D352 R356 T357 G360	D352-A354 PolarHBondContact O-N 3.19Å; D352-A354 VanDerWaalsContact OD1-CB 3.27Å; D352-A354 WeakPolarHBondContact OD1-CB 3.44Å; D352-A354 PolarHBondContact OD1-N 3.12Å; A354-R356 PolarHBondContact O-N 2.91Å; A354-T357 PolarHBondContact O-N 3.49Å; A354-T357 VanDerWaalsContact O-N 3.15Å; A354-T357 PolarHBondContact O-OG1 3.5Å; A354-G360 VanDerWaalsContact O-CA 3.3Å; A354-G360 WeakPolarHBondContact O-CA 3.35Å
355	C	98.3	Very high	98.5	Very high	6 Å²	6	15 Å²	15	4%	0.041	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-67.4	-4.3	178.5	-66.9	0	0	0	0	114.1	I349 D352 P353 F361 L364	I349-C355 HydrophobicContact CG1-CB 4.09Å; D352-C355 WeakPolarHBondContact O-CB 3.27Å; D352-C355 PolarHBondContact O-N 2.96Å; P353-C355 PolarHBondContact O-N 3.39Å; C355-F361 WeakPolarHBondContact O-CD2 3.49Å; C355-L364 HydrophobicContact CB-CD2 4.27Å
356	R	98.7	Very high	98.4	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-104.8	-0.7	179.1	-50.9	-178.4	-134.1	138.8	8.4	113	I349 P353 A354 S414 F415 E416 N478 L480	I349-R356 HydrophobicContact CG2-CG 4.34Å; I349-R356 PolarHBondContact O-NE 2.94Å; I349-R356 VanDerWaalsContact O-NE 3.07Å; P353-R356 WeakPolarHBondContact O-CB 3.4Å; P353-R356 PolarHBondContact O-N 3.27Å; A354-R356 PolarHBondContact O-N 2.91Å; R356-S414 VanDerWaalsContact CB-O 3.3Å; R356-S414 WeakPolarHBondContact CB-O 3.14Å; R356-S414 WeakPolarHBondContact CD-O 3.28Å; R356-F415 HydrophobicContact CB-CD1 3.65Å; R356-F415 HydrophobicContact CB-CE1 3.96Å; R356-F415 HydrophobicContact CB-CG 4.17Å; R356-F415 HydrophobicContact CG-CD1 3.95Å; R356-F415 HydrophobicContact CG-CE1 3.71Å; R356-F415 HydrophobicContact CG-CZ 4.13Å; R356-F415 WeakPolarHBondContact O-CA 3.32Å; R356-E416 PolarHBondContact O-N 3.23Å; R356-N478 PolarHBondContact NH1-O 3.35Å; R356-L480 PolarHBondContact NH2-O 3.17Å
357	T	98.6	Very high	98.3	Very high	34 Å²	34	18.4 Å²	18.4	21%	0.209	11%	0.105	C	C	.	.	S	Bend	trans	-84.8	157.7	168.2	65.2	0	0	0	0	110	A354 G360 F361 E416	A354-T357 PolarHBondContact O-N 3.49Å; A354-T357 VanDerWaalsContact O-N 3.15Å; A354-T357 PolarHBondContact O-OG1 3.5Å; T357-G360 PolarHBondContact O-N 3.35Å; T357-G360 WeakPolarHBondContact OG1-CA 3.4Å; T357-G360 PolarHBondContact OG1-N 2.92Å; T357-F361 VanDerWaalsContact O-CB 3.29Å; T357-F361 WeakPolarHBondContact O-CB 3.35Å; T357-F361 PolarHBondContact O-N 2.94Å; T357-E416 WeakPolarHBondContact CA-OE2 3.27Å; T357-E416 WeakPolarHBondContact CB-OE2 3.3Å
358	I	98.4	Very high	98.3	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.026	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-55.8	176	-70.4	167.6	0	0	0	109.5	G360 F361 Q362 E416 F417 F421 L467	I358-G360 PolarHBondContact O-N 3.46Å; I358-F361 PolarHBondContact O-N 3.42Å; I358-Q362 VanDerWaalsContact O-CG 3.29Å; I358-Q362 WeakPolarHBondContact O-CG 3.29Å; I358-Q362 PolarHBondContact O-N 2.69Å; I358-E416 HydrophobicContact CD1-CG 4.23Å; I358-E416 HydrophobicContact CG1-CB 4.46Å; I358-E416 HydrophobicContact CG1-CG 4.2Å; I358-E416 PolarHBondContact N-OE2 3.01Å; I358-F417 HydrophobicContact CG1-CB 3.8Å; I358-F421 HydrophobicContact CG2-CE2 4.41Å; I358-L467 HydrophobicContact CD1-CD2 3.98Å; I358-L467 HydrophobicContact CG2-CD2 3.91Å
359	K	97.8	Very high	98.3	Very high	100 Å²	100	18.4 Å²	18.4	44%	0.435	11%	0.105	S	C	.	.	H	α-helix	trans	-64.2	-38	-179.7	-73.5	-153.2	173.8	-155	0	112.7	E121 F127 Q362 S363	E121-K359 IonicContact OE1-NZ 3.77Å; E121-K359 PolarHBondContact OE1-NZ 3.19Å; E121-K359 IonicContact OE2-NZ 2.67Å; E121-K359 PolarHBondContact OE2-NZ 3.44Å; F127-K359 WeakPolarHBondContact CE1-O 3.26Å; K359-Q362 PolarHBondContact O-N 2.63Å; K359-S363 WeakPolarHBondContact O-CB 3.45Å; K359-S363 PolarHBondContact O-N 3.34Å
360	G	98.2	Very high	98.2	Very high	15 Å²	15	18.6 Å²	18.6	16%	0.155	11%	0.106	C	C	.	.	H	α-helix	trans	-71.2	-32.3	178.5	0	0	0	0	0	113.3	A354 T357 I358 S363 L364	A354-G360 VanDerWaalsContact O-CA 3.3Å; A354-G360 WeakPolarHBondContact O-CA 3.35Å; T357-G360 PolarHBondContact O-N 3.35Å; T357-G360 WeakPolarHBondContact OG1-CA 3.4Å; T357-G360 PolarHBondContact OG1-N 2.92Å; I358-G360 PolarHBondContact O-N 3.46Å; G360-S363 PolarHBondContact O-N 2.78Å; G360-L364 WeakPolarHBondContact O-CB 3.4Å; G360-L364 PolarHBondContact O-N 3.26Å
361	F	98.8	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.5	-39.8	171.7	-165.1	-86.8	0	0	0	111.8	I349 C355 T357 I358 S363 L364 V365 F400 L401 V404 F417 F421 L422 L425	I349-F361 HydrophobicContact CD1-CD2 4.21Å; I349-F361 HydrophobicContact CD1-CE2 3.63Å; I349-F361 HydrophobicContact CG1-CE2 4.47Å; C355-F361 WeakPolarHBondContact O-CD2 3.49Å; T357-F361 VanDerWaalsContact O-CB 3.29Å; T357-F361 WeakPolarHBondContact O-CB 3.35Å; T357-F361 PolarHBondContact O-N 2.94Å; I358-F361 PolarHBondContact O-N 3.42Å; F361-S363 VanDerWaalsContact C-N 3.35Å; F361-S363 PolarHBondContact O-N 3.19Å; F361-L364 HydrophobicContact CD2-CD2 4.49Å; F361-L364 WeakPolarHBondContact O-CB 3.4Å; F361-L364 PolarHBondContact O-N 3.11Å; F361-V365 HydrophobicContact CD1-CG2 3.87Å; F361-V365 HydrophobicContact CE1-CG2 3.64Å; F361-V365 HydrophobicContact CZ-CG2 4.48Å; F361-V365 WeakPolarHBondContact O-CG2 3.48Å; F361-V365 PolarHBondContact O-N 2.94Å; F361-F400 HydrophobicContact CE1-CE1 4.37Å; F361-F400 HydrophobicContact CE2-CE1 4.47Å; F361-F400 HydrophobicContact CE2-CZ 4.03Å; F361-F400 AromaticContact CZ-CE1 3.7Å; F361-F400 HydrophobicContact CZ-CE1 3.7Å; F361-F400 AromaticContact CZ-CZ 3.71Å; F361-F400 HydrophobicContact CZ-CZ 3.71Å; F361-L401 HydrophobicContact CE1-CD2 4.37Å; F361-L401 HydrophobicContact CZ-CD2 4.22Å; F361-V404 HydrophobicContact CE2-CB 4.49Å; F361-V404 HydrophobicContact CE2-CG1 3.83Å; F361-V404 HydrophobicContact CE2-CG2 3.95Å; F361-V404 HydrophobicContact CZ-CG1 4.26Å; F361-V404 HydrophobicContact CZ-CG2 4.11Å; F361-F417 HydrophobicContact CB-CD1 4.16Å; F361-F417 HydrophobicContact CB-CE1 3.63Å; F361-F417 HydrophobicContact CB-CZ 4.39Å; F361-F417 AromaticContact CD2-CE1 3.61Å; F361-F417 HydrophobicContact CD2-CE1 3.61Å; F361-F417 AromaticContact CD2-CZ 3.51Å; F361-F417 HydrophobicContact CD2-CZ 3.51Å; F361-F417 HydrophobicContact CE2-CE1 4.43Å; F361-F417 AromaticContact CE2-CZ 3.89Å; F361-F417 HydrophobicContact CE2-CZ 3.89Å; F361-F417 HydrophobicContact CG-CD1 4.49Å; F361-F417 AromaticContact CG-CE1 3.73Å; F361-F417 HydrophobicContact CG-CE1 3.73Å; F361-F417 AromaticContact CG-CZ 3.99Å; F361-F417 HydrophobicContact CG-CZ 3.99Å; F361-F421 HydrophobicContact CB-CE1 4.26Å; F361-F421 AromaticContact CD1-CE1 3.56Å; F361-F421 HydrophobicContact CD1-CE1 3.56Å; F361-F421 HydrophobicContact CD1-CZ 4.2Å; F361-F421 HydrophobicContact CE1-CE1 4.2Å; F361-F421 HydrophobicContact CG-CE1 4.12Å; F361-L422 HydrophobicContact CE1-CD2 4.36Å; F361-L422 HydrophobicContact CZ-CD2 4.08Å; F361-L425 HydrophobicContact CD1-CD1 3.97Å; F361-L425 HydrophobicContact CE1-CD1 3.48Å; F361-L425 VanDerWaalsContact CE1-CD1 3.48Å
362	Q	98.7	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-46.9	170.8	-68.1	171.9	-0.6	0	0	111.2	F127 I358 K359 L364 V365 E366 F421 W458 N462	F127-Q362 HydrophobicContact CE1-CB 4.16Å; F127-Q362 HydrophobicContact CE2-CB 3.68Å; F127-Q362 HydrophobicContact CZ-CB 3.45Å; F127-Q362 VanDerWaalsContact CZ-CB 3.45Å; F127-Q362 HydrophobicContact CZ-CG 4.43Å; F127-Q362 VanDerWaalsContact CZ-OE1 3.24Å; I358-Q362 VanDerWaalsContact O-CG 3.29Å; I358-Q362 WeakPolarHBondContact O-CG 3.29Å; I358-Q362 PolarHBondContact O-N 2.69Å; K359-Q362 PolarHBondContact O-N 2.63Å; Q362-L364 VanDerWaalsContact C-N 3.3Å; Q362-L364 PolarHBondContact O-N 2.99Å; Q362-V365 PolarHBondContact O-N 2.78Å; Q362-E366 PolarHBondContact O-N 3.29Å; Q362-F421 HydrophobicContact CG-CZ 4.14Å; Q362-W458 HydrophobicContact CB-CD2 4.33Å; Q362-W458 HydrophobicContact CB-CE3 4.36Å; Q362-W458 HydrophobicContact CG-CD2 4.08Å; Q362-W458 HydrophobicContact CG-CE3 3.64Å; Q362-W458 HydrophobicContact CG-CH2 4.27Å; Q362-W458 HydrophobicContact CG-CZ3 3.76Å; Q362-N462 PolarHBondContact NE2-OD1 2.97Å; Q362-N462 PolarHBondContact OE1-ND2 3.06Å; Q362-N462 VanDerWaalsContact OE1-ND2 3.11Å; Q362-N462 PolarHBondContact OE1-OD1 2.86Å
363	S	98.2	Very high	98	Very high	30 Å²	30	18.7 Å²	18.7	21%	0.21	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-39.7	174.1	-177.3	0	0	0	0	112.5	K359 G360 F361 E366 R367	K359-S363 WeakPolarHBondContact O-CB 3.45Å; K359-S363 PolarHBondContact O-N 3.34Å; G360-S363 PolarHBondContact O-N 2.78Å; F361-S363 VanDerWaalsContact C-N 3.35Å; F361-S363 PolarHBondContact O-N 3.19Å; S363-E366 PolarHBondContact O-N 2.85Å; S363-R367 WeakPolarHBondContact O-CB 3.49Å; S363-R367 PolarHBondContact O-N 2.95Å
364	L	98.7	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-47.2	175	-177.1	70.3	0	0	0	111.2	Q348 I349 C355 G360 F361 Q362 E366 R367 E368	Q348-L364 HydrophobicContact CB-CD1 3.97Å; Q348-L364 HydrophobicContact CG-CD1 4.49Å; I349-L364 HydrophobicContact CD1-CD2 3.76Å; I349-L364 HydrophobicContact CG1-CD2 3.57Å; C355-L364 HydrophobicContact CB-CD2 4.27Å; G360-L364 WeakPolarHBondContact O-CB 3.4Å; G360-L364 PolarHBondContact O-N 3.26Å; F361-L364 HydrophobicContact CD2-CD2 4.49Å; F361-L364 WeakPolarHBondContact O-CB 3.4Å; F361-L364 PolarHBondContact O-N 3.11Å; Q362-L364 VanDerWaalsContact C-N 3.3Å; Q362-L364 PolarHBondContact O-N 2.99Å; L364-E366 PolarHBondContact O-N 3.48Å; L364-R367 PolarHBondContact O-N 3.35Å; L364-E368 HydrophobicContact CD1-CB 4.3Å; L364-E368 HydrophobicContact CD1-CG 3.63Å; L364-E368 HydrophobicContact CG-CG 4.45Å; L364-E368 WeakPolarHBondContact O-CA 3.5Å; L364-E368 VanDerWaalsContact O-CB 3.23Å; L364-E368 WeakPolarHBondContact O-CB 3.33Å; L364-E368 PolarHBondContact O-N 3.47Å
365	V	98.8	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.3	-44.7	176.8	173.2	0	0	0	0	110.9	F361 Q362 W369 L370 F397 F437 W458	F361-V365 HydrophobicContact CD1-CG2 3.87Å; F361-V365 HydrophobicContact CE1-CG2 3.64Å; F361-V365 HydrophobicContact CZ-CG2 4.48Å; F361-V365 WeakPolarHBondContact O-CG2 3.48Å; F361-V365 PolarHBondContact O-N 2.94Å; Q362-V365 PolarHBondContact O-N 2.78Å; V365-W369 WeakPolarHBondContact O-CA 3.43Å; V365-W369 VanDerWaalsContact O-CB 3.26Å; V365-W369 WeakPolarHBondContact O-CB 3.47Å; V365-W369 PolarHBondContact O-N 2.93Å; V365-L370 HydrophobicContact CG1-CD1 4.4Å; V365-L370 PolarHBondContact O-N 3.36Å; V365-L370 VanDerWaalsContact O-N 3.12Å; V365-F397 HydrophobicContact CG1-CE2 4.41Å; V365-F397 HydrophobicContact CG1-CZ 4.18Å; V365-F397 HydrophobicContact CG2-CE2 4.41Å; V365-F397 HydrophobicContact CG2-CZ 4.27Å; V365-F437 HydrophobicContact CG1-CE1 3.92Å; V365-F437 HydrophobicContact CG1-CZ 4.13Å; V365-W458 HydrophobicContact CB-CZ2 4.48Å; V365-W458 HydrophobicContact CG1-CH2 4.43Å; V365-W458 HydrophobicContact CG1-CZ2 4.17Å
366	E	98	Very high	98	Very high	16 Å²	16	14.9 Å²	14.9	8%	0.075	8%	0.077	C	C	.	.	I	π-helix	trans	-59.6	-53.6	176.7	-80.2	-68.8	167.3	0	0	112.3	F127 Q362 S363 L364 L370 Q371 W458	F127-E366 HydrophobicContact CB-CB 3.84Å; F127-E366 HydrophobicContact CB-CG 3.83Å; F127-E366 HydrophobicContact CD2-CG 3.78Å; F127-E366 HydrophobicContact CG-CB 4.35Å; F127-E366 HydrophobicContact CG-CG 4.04Å; Q362-E366 PolarHBondContact O-N 3.29Å; S363-E366 PolarHBondContact O-N 2.85Å; L364-E366 PolarHBondContact O-N 3.48Å; E366-L370 HydrophobicContact CG-CD1 4.25Å; E366-L370 PolarHBondContact O-N 2.91Å; E366-L370 VanDerWaalsContact OE1-CD1 3.25Å; E366-L370 WeakPolarHBondContact OE1-CD1 3.33Å; E366-L370 WeakPolarHBondContact OE2-CD1 3.48Å; E366-Q371 VanDerWaalsContact O-CB 3.3Å; E366-Q371 WeakPolarHBondContact O-CB 3.38Å; E366-Q371 VanDerWaalsContact O-CG 3.24Å; E366-Q371 WeakPolarHBondContact O-CG 3.42Å; E366-Q371 PolarHBondContact O-N 3.5Å; E366-W458 PolarHBondContact OE1-NE1 2.99Å
367	R	97	Very high	97.8	Very high	57 Å²	57	17 Å²	17	22%	0.215	9%	0.087	C	C	.	.	I	π-helix	trans	-70.4	-47.5	-177.8	-178.7	179.2	63.7	-103	1.6	112.4	R201 S363 L364 A372	R201-R367 PolarHBondContact NH2-O 2.98Å; S363-R367 WeakPolarHBondContact O-CB 3.49Å; S363-R367 PolarHBondContact O-N 2.95Å; L364-R367 PolarHBondContact O-N 3.35Å; R367-A372 PolarHBondContact O-N 2.79Å
368	E	97.8	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-85.8	-25.6	-169.2	-70.5	-62.9	138	0	0	113.9	S189 R201 L341 T344 S345 Q348 L364 A372	S189-E368 WeakPolarHBondContact CB-OE1 3.37Å; S189-E368 PolarHBondContact OG-OE1 2.98Å; S189-E368 PolarHBondContact OG-OE2 3.47Å; S189-E368 VanDerWaalsContact OG-OE2 3.1Å; R201-E368 IonicContact CZ-OE1 3.64Å; R201-E368 IonicContact CZ-OE2 3.15Å; R201-E368 IonicContact NE-OE2 3.55Å; R201-E368 VanDerWaalsContact NH1-CA 3.31Å; R201-E368 PolarHBondContact NH1-O 3.29Å; R201-E368 VanDerWaalsContact NH1-O 3.08Å; R201-E368 IonicContact NH1-OE1 3.44Å; R201-E368 IonicContact NH1-OE2 3.9Å; R201-E368 PolarHBondContact NH1-OE2 3.1Å; L341-E368 WeakPolarHBondContact CD1-O 3.39Å; L341-E368 WeakPolarHBondContact CD2-O 3.4Å; T344-E368 PolarHBondContact OG1-OE2 2.97Å; S345-E368 VanDerWaalsContact OG-CB 3.27Å; S345-E368 WeakPolarHBondContact OG-CB 3.27Å; Q348-E368 VanDerWaalsContact NE2-CD 3.29Å; Q348-E368 PolarHBondContact NE2-OE1 3.36Å; L364-E368 HydrophobicContact CD1-CB 4.3Å; L364-E368 HydrophobicContact CD1-CG 3.63Å; L364-E368 HydrophobicContact CG-CG 4.45Å; L364-E368 WeakPolarHBondContact O-CA 3.5Å; L364-E368 VanDerWaalsContact O-CB 3.23Å; L364-E368 WeakPolarHBondContact O-CB 3.33Å; L364-E368 PolarHBondContact O-N 3.47Å; E368-A372 WeakPolarHBondContact O-CB 3.47Å
369	W	98.6	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.094	C	C	.	.	I	π-helix	trans	-113.1	-54.1	-176.8	-64.5	76.9	0	0	0	112.3	L341 Q342 S345 V365 G373 H374 F376 V396 F397 F400	L341-W369 HydrophobicContact CB-CD2 4.45Å; L341-W369 HydrophobicContact CB-CZ2 4.4Å; Q342-W369 HydrophobicContact CG-CH2 3.73Å; Q342-W369 HydrophobicContact CG-CZ2 4.2Å; S345-W369 PolarHBondContact OG-NE1 2.97Å; V365-W369 WeakPolarHBondContact O-CA 3.43Å; V365-W369 VanDerWaalsContact O-CB 3.26Å; V365-W369 WeakPolarHBondContact O-CB 3.47Å; V365-W369 PolarHBondContact O-N 2.93Å; W369-G373 PolarHBondContact O-N 2.81Å; W369-H374 HydrophobicContact CB-CB 4.37Å; W369-H374 HydrophobicContact CE3-CB 3.85Å; W369-H374 AromaticContact CE3-CD2 3.71Å; W369-H374 AromaticContact CE3-CG 3.53Å; W369-H374 AromaticContact CE3-ND1 3.91Å; W369-H374 AromaticContact CZ3-CD2 3.97Å; W369-H374 AromaticContact CZ3-CE1 3.87Å; W369-H374 AromaticContact CZ3-CG 3.87Å; W369-H374 AromaticContact CZ3-ND1 3.8Å; W369-H374 AromaticContact CZ3-NE2 3.97Å; W369-H374 VanDerWaalsContact O-CB 3.3Å; W369-H374 WeakPolarHBondContact O-CB 3.35Å; W369-H374 PolarHBondContact O-N 3.12Å; W369-F376 HydrophobicContact CB-CE2 3.91Å; W369-F376 HydrophobicContact CB-CZ 4.06Å; W369-F376 HydrophobicContact CE3-CZ 4.19Å; W369-V396 HydrophobicContact CH2-CG1 4.13Å; W369-V396 HydrophobicContact CZ3-CG1 4.04Å; W369-F397 AromaticContact CD2-CD2 3.59Å; W369-F397 HydrophobicContact CD2-CD2 3.59Å; W369-F397 AromaticContact CD2-CE2 3.84Å; W369-F397 HydrophobicContact CD2-CE2 3.84Å; W369-F397 AromaticContact CE2-CD2 3.87Å; W369-F397 HydrophobicContact CE3-CB 4.43Å; W369-F397 AromaticContact CE3-CD2 3.5Å; W369-F397 HydrophobicContact CE3-CD2 3.5Å; W369-F397 VanDerWaalsContact CE3-CD2 3.5Å; W369-F397 HydrophobicContact CE3-CE2 4.19Å; W369-F397 HydrophobicContact CE3-CG 4.38Å; W369-F397 HydrophobicContact CG-CD2 4.26Å; W369-F397 HydrophobicContact CG-CE2 4.05Å; W369-F397 AromaticContact CH2-CD2 3.95Å; W369-F397 HydrophobicContact CH2-CD2 3.95Å; W369-F397 HydrophobicContact CZ2-CD2 4.07Å; W369-F397 HydrophobicContact CZ3-CB 4.03Å; W369-F397 AromaticContact CZ3-CD2 3.68Å; W369-F397 HydrophobicContact CZ3-CD2 3.68Å; W369-F397 HydrophobicContact CZ3-CG 4.35Å; W369-F400 AromaticContact CE2-CD1 3.89Å; W369-F400 HydrophobicContact CH2-CB 3.63Å; W369-F400 HydrophobicContact CH2-CD1 4.39Å; W369-F400 HydrophobicContact CH2-CG 4.04Å; W369-F400 HydrophobicContact CZ2-CB 3.45Å; W369-F400 VanDerWaalsContact CZ2-CB 3.45Å; W369-F400 AromaticContact CZ2-CD1 3.63Å; W369-F400 HydrophobicContact CZ2-CD1 3.63Å; W369-F400 AromaticContact CZ2-CD2 3.8Å; W369-F400 HydrophobicContact CZ2-CD2 3.8Å; W369-F400 HydrophobicContact CZ2-CE1 4.31Å; W369-F400 HydrophobicContact CZ2-CE2 4.47Å; W369-F400 AromaticContact CZ2-CG 3.32Å; W369-F400 HydrophobicContact CZ2-CG 3.32Å; W369-F400 AromaticContact NE1-CE1 3.85Å
370	L	98.2	Very high	97.4	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	8%	0.076	C	C	.	.	I	π-helix	trans	-75.6	-56.8	-172.4	-62	172.8	0	0	0	111.8	V365 E366 A372 G373 F376 T436 F437	V365-L370 HydrophobicContact CG1-CD1 4.4Å; V365-L370 PolarHBondContact O-N 3.36Å; V365-L370 VanDerWaalsContact O-N 3.12Å; E366-L370 HydrophobicContact CG-CD1 4.25Å; E366-L370 PolarHBondContact O-N 2.91Å; E366-L370 VanDerWaalsContact OE1-CD1 3.25Å; E366-L370 WeakPolarHBondContact OE1-CD1 3.33Å; E366-L370 WeakPolarHBondContact OE2-CD1 3.48Å; L370-A372 VanDerWaalsContact C-N 3.27Å; L370-A372 PolarHBondContact O-N 2.86Å; L370-G373 PolarHBondContact O-N 3.49Å; L370-G373 VanDerWaalsContact O-N 3.16Å; L370-F376 HydrophobicContact CD2-CD2 3.71Å; L370-F376 HydrophobicContact CD2-CE2 3.5Å; L370-F376 HydrophobicContact CD2-CZ 4.42Å; L370-F376 HydrophobicContact CG-CE2 4.33Å; L370-T436 HydrophobicContact CD1-CG2 3.7Å; L370-T436 VanDerWaalsContact CD2-O 3.27Å; L370-T436 WeakPolarHBondContact CD2-O 3.5Å; L370-F437 HydrophobicContact CD2-CD1 3.86Å; L370-F437 HydrophobicContact CD2-CE1 4.26Å
371	Q	96.4	Very high	97.2	Very high	32 Å²	32	15.7 Å²	15.7	15%	0.15	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-33.5	178.3	-66.7	173.1	22.6	0	0	111.6	F127 P159 E366 G373	F127-Q371 PolarHBondContact O-NE2 3.2Å; P159-Q371 HydrophobicContact CB-CB 4.19Å; P159-Q371 WeakPolarHBondContact CD-O 3.27Å; P159-Q371 HydrophobicContact CG-CB 4.27Å; E366-Q371 VanDerWaalsContact O-CB 3.3Å; E366-Q371 WeakPolarHBondContact O-CB 3.38Å; E366-Q371 VanDerWaalsContact O-CG 3.24Å; E366-Q371 WeakPolarHBondContact O-CG 3.42Å; E366-Q371 PolarHBondContact O-N 3.5Å; Q371-G373 PolarHBondContact O-N 3.12Å
372	A	96.8	Very high	96.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.4	176.6	0	0	0	0	0	114.5	S157 R184 R201 L341 R367 E368 L370	S157-A372 CarbonylContact O-C 3.52Å; R184-A372 VanDerWaalsContact CZ-O 3.25Å; R184-A372 PolarHBondContact NH1-O 3.16Å; R184-A372 PolarHBondContact NH2-O 3.24Å; R201-A372 VanDerWaalsContact CZ-CB 3.42Å; L341-A372 HydrophobicContact CD1-CB 4.05Å; L341-A372 HydrophobicContact CD2-CB 3.95Å; R367-A372 PolarHBondContact O-N 2.79Å; E368-A372 WeakPolarHBondContact O-CB 3.47Å; L370-A372 VanDerWaalsContact C-N 3.27Å; L370-A372 PolarHBondContact O-N 2.86Å
373	G	97.5	Very high	96.8	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.021	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	42.7	179.5	0	0	0	0	0	114.2	S157 W369 L370 Q371	S157-G373 WeakPolarHBondContact O-CA 3.4Å; S157-G373 PolarHBondContact O-N 3.04Å; W369-G373 PolarHBondContact O-N 2.81Å; L370-G373 PolarHBondContact O-N 3.49Å; L370-G373 VanDerWaalsContact O-N 3.16Å; Q371-G373 PolarHBondContact O-N 3.12Å
374	H	98.3	Very high	96.7	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.019	8%	0.084	C	C	.	.			trans	-62.4	127.4	161	-175.8	63.9	0	0	0	109.1	T337 D338 L341 W369 F376	T337-H374 PolarHBondContact O-ND1 3.18Å; D338-H374 IonicContact OD1-CE1 3.87Å; D338-H374 PolarHBondContact OD1-CE1 2.86Å; D338-H374 IonicContact OD1-ND1 2.68Å; D338-H374 PolarHBondContact OD1-ND1 3.29Å; L341-H374 HydrophobicContact CD1-CB 3.8Å; W369-H374 HydrophobicContact CB-CB 4.37Å; W369-H374 HydrophobicContact CE3-CB 3.85Å; W369-H374 AromaticContact CE3-CD2 3.71Å; W369-H374 AromaticContact CE3-CG 3.53Å; W369-H374 AromaticContact CE3-ND1 3.91Å; W369-H374 AromaticContact CZ3-CD2 3.97Å; W369-H374 AromaticContact CZ3-CE1 3.87Å; W369-H374 AromaticContact CZ3-CG 3.87Å; W369-H374 AromaticContact CZ3-ND1 3.8Å; W369-H374 AromaticContact CZ3-NE2 3.97Å; W369-H374 VanDerWaalsContact O-CB 3.3Å; W369-H374 WeakPolarHBondContact O-CB 3.35Å; W369-H374 PolarHBondContact O-N 3.12Å; H374-F376 VanDerWaalsContact C-N 3.26Å; H374-F376 HydrophobicContact CB-CD2 4.19Å; H374-F376 HydrophobicContact CB-CE2 3.96Å; H374-F376 AromaticContact CD2-CD1 3.9Å; H374-F376 AromaticContact CD2-CD2 3.69Å; H374-F376 AromaticContact CD2-CE1 3.85Å; H374-F376 AromaticContact CD2-CE2 3.64Å; H374-F376 AromaticContact CD2-CG 3.81Å; H374-F376 AromaticContact CD2-CZ 3.72Å; H374-F376 PolarHBondContact O-N 3.18Å
375	P	97.2	Very high	96.5	Very high	9 Å²	9	18.2 Å²	18.2	6%	0.058	9%	0.09	C	C	.	.			trans	-81.3	64.9	-173	31.6	-34.9	0	0	0	113.4	Q377 Q378 R379 S440	P375-Q377 VanDerWaalsContact C-N 3.32Å; P375-Q377 PolarHBondContact O-N 3.48Å; P375-Q378 HydrophobicContact CB-CB 4.36Å; P375-Q378 PolarHBondContact O-N 2.82Å; P375-R379 HydrophobicContact CG-CG 3.95Å; P375-R379 WeakPolarHBondContact O-CG 3.3Å; P375-R379 PolarHBondContact O-N 3.46Å; P375-S440 VanDerWaalsContact CA-O 3.31Å; P375-S440 WeakPolarHBondContact CA-O 3.23Å
376	F	97.8	Very high	96	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.013	10%	0.097	C	C	.	.	H	α-helix	trans	-49	-48.5	-177.9	-81.4	-79.5	0	0	0	113.2	W369 L370 H374 Q378 R379 C380 F397 A429 F437	W369-F376 HydrophobicContact CB-CE2 3.91Å; W369-F376 HydrophobicContact CB-CZ 4.06Å; W369-F376 HydrophobicContact CE3-CZ 4.19Å; L370-F376 HydrophobicContact CD2-CD2 3.71Å; L370-F376 HydrophobicContact CD2-CE2 3.5Å; L370-F376 HydrophobicContact CD2-CZ 4.42Å; L370-F376 HydrophobicContact CG-CE2 4.33Å; H374-F376 VanDerWaalsContact C-N 3.26Å; H374-F376 HydrophobicContact CB-CD2 4.19Å; H374-F376 HydrophobicContact CB-CE2 3.96Å; H374-F376 AromaticContact CD2-CD1 3.9Å; H374-F376 AromaticContact CD2-CD2 3.69Å; H374-F376 AromaticContact CD2-CE1 3.85Å; H374-F376 AromaticContact CD2-CE2 3.64Å; H374-F376 AromaticContact CD2-CG 3.81Å; H374-F376 AromaticContact CD2-CZ 3.72Å; H374-F376 PolarHBondContact O-N 3.18Å; F376-Q378 PolarHBondContact O-N 3Å; F376-Q378 VanDerWaalsContact O-N 3.08Å; F376-R379 PolarHBondContact O-N 3.27Å; F376-C380 WeakPolarHBondContact O-CB 3.16Å; F376-C380 PolarHBondContact O-N 3.27Å; F376-F397 HydrophobicContact CE1-CB 3.87Å; F376-F397 AromaticContact CE1-CD1 3.7Å; F376-F397 HydrophobicContact CE1-CD1 3.7Å; F376-F397 HydrophobicContact CE1-CD2 4.05Å; F376-F397 HydrophobicContact CE1-CE1 4.19Å; F376-F397 AromaticContact CE1-CG 3.61Å; F376-F397 HydrophobicContact CE1-CG 3.61Å; F376-F397 HydrophobicContact CZ-CB 4.43Å; F376-F397 HydrophobicContact CZ-CD1 4.25Å; F376-F397 AromaticContact CZ-CD2 3.88Å; F376-F397 HydrophobicContact CZ-CD2 3.88Å; F376-F397 HydrophobicContact CZ-CE1 4.45Å; F376-F397 HydrophobicContact CZ-CE2 4.12Å; F376-F397 AromaticContact CZ-CG 3.94Å; F376-F397 HydrophobicContact CZ-CG 3.94Å; F376-F397 HydrophobicContact CZ-CZ 4.4Å; F376-A429 HydrophobicContact CD1-CB 4.29Å; F376-A429 HydrophobicContact CE1-CB 4.16Å; F376-F437 WeakPolarHBondContact CB-O 3.39Å; F376-F437 HydrophobicContact CD1-CB 4.36Å; F376-F437 AromaticContact CD1-CD1 3.78Å; F376-F437 HydrophobicContact CD1-CD1 3.78Å; F376-F437 HydrophobicContact CD1-CG 4.43Å; F376-F437 HydrophobicContact CD2-CD1 4.09Å; F376-F437 AromaticContact CE1-CD1 3.49Å; F376-F437 HydrophobicContact CE1-CD1 3.49Å; F376-F437 VanDerWaalsContact CE1-CD1 3.49Å; F376-F437 AromaticContact CE1-CE1 3.85Å; F376-F437 HydrophobicContact CE1-CE1 3.85Å; F376-F437 HydrophobicContact CE1-CG 4.45Å; F376-F437 AromaticContact CE2-CD1 3.83Å; F376-F437 HydrophobicContact CE2-CD1 3.83Å; F376-F437 HydrophobicContact CE2-CE1 4.2Å; F376-F437 HydrophobicContact CG-CB 4.4Å; F376-F437 HydrophobicContact CG-CD1 4.08Å; F376-F437 AromaticContact CZ-CD1 3.52Å; F376-F437 HydrophobicContact CZ-CD1 3.52Å; F376-F437 AromaticContact CZ-CE1 3.64Å; F376-F437 HydrophobicContact CZ-CE1 3.64Å
377	Q	94.9	Very high	95.3	Very high	47 Å²	47	24.9 Å²	24.9	22%	0.22	13%	0.128	C	C	.	.	H	α-helix	trans	-54.7	-32.9	179.7	-172.3	63	58.7	0	0	113.8	V105 M108 P375 G439	V105-Q377 HydrophobicContact CG2-CG 3.99Å; M108-Q377 VanDerWaalsContact CE-NE2 3.33Å; P375-Q377 VanDerWaalsContact C-N 3.32Å; P375-Q377 PolarHBondContact O-N 3.48Å; Q377-G439 WeakPolarHBondContact CB-O 3.16Å; Q377-G439 PolarHBondContact N-O 3.09Å; Q377-G439 VanDerWaalsContact N-O 3.14Å
378	Q	94.3	Very high	94.6	Very high	79 Å²	79	24.9 Å²	24.9	37%	0.369	14%	0.137	S	C	.	.	H	α-helix	trans	-90.7	-39.7	-179.7	-65.5	161.7	0.1	0	0	111.2	P375 F376 S440	P375-Q378 HydrophobicContact CB-CB 4.36Å; P375-Q378 PolarHBondContact O-N 2.82Å; F376-Q378 PolarHBondContact O-N 3Å; F376-Q378 VanDerWaalsContact O-N 3.08Å; Q378-S440 PolarHBondContact NE2-OG 3Å
379	R	96.3	Very high	93.9	Very high	5 Å²	5	33.9 Å²	33.9	2%	0.019	18%	0.176	C	C	.	.	H	α-helix	trans	-72.2	-38	-176	-67.5	-74.2	179.1	-78.1	-11.3	112.4	Y271 D338 P375 F376 Q392 A394	Y271-R379 VanDerWaalsContact CE1-CZ 3.42Å; Y271-R379 PolarHBondContact OH-NH2 2.78Å; D338-R379 IonicContact OD1-CZ 3.66Å; D338-R379 IonicContact OD1-NE 3.45Å; D338-R379 PolarHBondContact OD1-NE 2.8Å; D338-R379 IonicContact OD1-NH2 3.52Å; D338-R379 IonicContact OD2-CZ 2.86Å; D338-R379 IonicContact OD2-NE 2.75Å; D338-R379 IonicContact OD2-NH2 2.83Å; D338-R379 PolarHBondContact OD2-NH2 3.43Å; P375-R379 HydrophobicContact CG-CG 3.95Å; P375-R379 WeakPolarHBondContact O-CG 3.3Å; P375-R379 PolarHBondContact O-N 3.46Å; F376-R379 PolarHBondContact O-N 3.27Å; R379-Q392 WeakPolarHBondContact CD-O 3.38Å; R379-Q392 PolarHBondContact NH1-O 3.46Å; R379-A394 PolarHBondContact O-N 3.33Å
380	C	95.7	Very high	92.9	Very high	8 Å²	8	35.9 Å²	35.9	5%	0.054	19%	0.189	C	C	.	.	S	Bend	trans	-99.3	9.3	-177.2	-61	0	0	0	0	113.2	F376 Q382 A429 Y430	F376-C380 WeakPolarHBondContact O-CB 3.16Å; F376-C380 PolarHBondContact O-N 3.27Å; C380-Q382 PolarHBondContact O-N 2.85Å; C380-A429 WeakPolarHBondContact CB-O 3.28Å; C380-Y430 HydrophobicContact CB-CD1 3.87Å; C380-Y430 HydrophobicContact CB-CD2 4.46Å; C380-Y430 HydrophobicContact CB-CE1 4.04Å; C380-Y430 HydrophobicContact CB-CG 4.13Å; C380-Y430 WeakPolarHBondContact O-CD1 3.5Å
381	A	93.6	Very high	92.2	Very high	33 Å²	33	46 Å²	46	27%	0.273	23%	0.227	S	C	.	.	S	Bend	trans	-59	-31.6	179.4	0	0	0	0	0	112.1	K74 E393	K74-A381 WeakPolarHBondContact CE-O 3.31Å; K74-A381 PolarHBondContact NZ-O 2.56Å; A381-E393 HydrophobicContact CB-CG 4.01Å
382	Q	93.1	Very high	91.9	Very high	42 Å²	42	48.8 Å²	48.8	20%	0.196	24%	0.24	C	C	.	.			trans	-142.2	158.6	179.7	-56.4	-179.3	-10.4	0	0	111.3	D56 C380 S386 S388 E393 Y430	D56-Q382 WeakPolarHBondContact OD1-CA 3.44Å; C380-Q382 PolarHBondContact O-N 2.85Å; Q382-S386 PolarHBondContact OE1-OG 3.44Å; Q382-S388 VanDerWaalsContact CD-OG 3.25Å; Q382-S388 PolarHBondContact NE2-OG 2.67Å; Q382-S388 PolarHBondContact OE1-OG 3.16Å; Q382-E393 HydrophobicContact CB-CB 4.41Å; Q382-E393 HydrophobicContact CB-CG 3.91Å; Q382-E393 HydrophobicContact CG-CG 4.04Å; Q382-Y430 WeakPolarHBondContact O-CE1 3.35Å
383	S	95.5	Very high	91.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.007	25%	0.245	C	C	.	.			trans	-124.5	-155.7	179.2	-164.5	0	0	0	0	111	D56 K74 Q275 Y385	D56-S383 VanDerWaalsContact CG-N 3.33Å; D56-S383 PolarHBondContact OD1-N 3.04Å; D56-S383 VanDerWaalsContact OD2-CA 3.27Å; D56-S383 WeakPolarHBondContact OD2-CA 3.05Å; D56-S383 WeakPolarHBondContact OD2-CB 3.46Å; D56-S383 PolarHBondContact OD2-N 3.36Å; D56-S383 VanDerWaalsContact OD2-N 3.15Å; K74-S383 PolarHBondContact O-OG 2.7Å; Q275-S383 VanDerWaalsContact NE2-C 3.33Å; Q275-S383 PolarHBondContact NE2-O 2.91Å; S383-Y385 PolarHBondContact O-N 2.97Å
384	A	96.1	Very high	91.7	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.2	-170.5	0	0	0	0	0	115.3	D56 L76 L278 V282	D56-A384 PolarHBondContact OD2-N 3.18Å; L76-A384 HydrophobicContact CD2-CB 3.98Å; L278-A384 HydrophobicContact CD2-CB 3.98Å; L278-A384 HydrophobicContact CG-CB 3.9Å; V282-A384 HydrophobicContact CB-CB 3.82Å; V282-A384 HydrophobicContact CG1-CB 4.04Å; V282-A384 HydrophobicContact CG2-CB 3.59Å
385	Y	95.8	Very high	91.7	Very high	33 Å²	33	49.7 Å²	49.7	13%	0.129	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	1.3	-172.9	-61.8	-54.8	0	0	0	113.6	D56 S57 K72 C73 L76 V78 V282 S383 N387	D56-Y385 WeakPolarHBondContact OD2-CA 3.29Å; D56-Y385 PolarHBondContact OD2-N 3.21Å; S57-Y385 VanDerWaalsContact CB-O 3.24Å; S57-Y385 WeakPolarHBondContact CB-O 3.2Å; S57-Y385 PolarHBondContact OG-O 3.35Å; K72-Y385 HydrophobicContact CB-CD1 4.49Å; K72-Y385 HydrophobicContact CB-CD2 3.65Å; K72-Y385 HydrophobicContact CB-CE2 4.32Å; K72-Y385 HydrophobicContact CB-CG 3.72Å; K72-Y385 HydrophobicContact CD-CD1 3.89Å; K72-Y385 HydrophobicContact CD-CG 3.89Å; K72-Y385 HydrophobicContact CG-CD2 4.38Å; K72-Y385 HydrophobicContact CG-CG 4.23Å; C73-Y385 WeakPolarHBondContact O-CD2 3.44Å; L76-Y385 PolarHBondContact O-OH 2.61Å; V78-Y385 HydrophobicContact CG2-CE2 4.03Å; V282-Y385 HydrophobicContact CG1-CE1 3.59Å; V282-Y385 HydrophobicContact CG1-CE2 4.47Å; V282-Y385 WeakPolarHBondContact CG1-OH 3.31Å; S383-Y385 PolarHBondContact O-N 2.97Å; Y385-N387 PolarHBondContact O-N 2.75Å
386	S	88.4	Confident	91.7	Very high	21 Å²	21	49.4 Å²	49.4	15%	0.147	24%	0.242	C	C	.	.			trans	-60.4	131.9	176	172.5	0	0	0	0	111.6	D56 Q382 S388	D56-S386 PolarHBondContact OD2-N 2.84Å; Q382-S386 PolarHBondContact OE1-OG 3.44Å; S386-S388 VanDerWaalsContact C-N 3.29Å; S386-S388 PolarHBondContact OG-N 2.85Å; S386-S388 PolarHBondContact OG-OG 3.1Å
387	N	81.9	Confident	91.8	Very high	135 Å²	135	49.4 Å²	49.4	72%	0.722	24%	0.242	S	C	*	.			trans	-84.5	-5.2	175.8	-66.2	-34.7	0	0	0	112.7	Y385	Y385-N387 PolarHBondContact O-N 2.75Å
388	S	83.4	Confident	92	Very high	58 Å²	58	47.2 Å²	47.2	41%	0.406	23%	0.232	S	C	.	.	S	Bend	trans	-94.1	151.7	-176.6	81.5	0	0	0	0	111.3	Q382 S386	Q382-S388 VanDerWaalsContact CD-OG 3.25Å; Q382-S388 PolarHBondContact NE2-OG 2.67Å; Q382-S388 PolarHBondContact OE1-OG 3.16Å; S386-S388 VanDerWaalsContact C-N 3.29Å; S386-S388 PolarHBondContact OG-N 2.85Å; S386-S388 PolarHBondContact OG-OG 3.1Å
389	K	82.2	Confident	92.2	Very high	188 Å²	188	43.5 Å²	43.5	82%	0.817	21%	0.214	S	C	*	.	P	Polyproline II helix	trans	-66.5	127.2	176.7	-70.3	-174.7	179.2	-178.3	0	109.4	R391	K389-R391 PolarHBondContact O-N 2.82Å
390	P	78.4	Confident	92.3	Very high	42 Å²	42	43.2 Å²	43.2	27%	0.273	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-63	133.5	179.2	25.7	-32.9	0	0	0	109.9	N272 Q275	N272-P390 HydrophobicContact CB-CG 4.46Å; Q275-P390 HydrophobicContact CB-CB 4.21Å; Q275-P390 HydrophobicContact CB-CG 4.4Å; Q275-P390 HydrophobicContact CG-CB 3.93Å; Q275-P390 HydrophobicContact CG-CG 4.25Å
391	R	83.2	Confident	92.5	Very high	217 Å²	217	42.9 Å²	42.9	82%	0.819	21%	0.211	S	C	*	.	S	Bend	trans	-100	-59.2	175.6	-61.6	-177.9	-175.5	-173.2	4	109.7	K389 E393	K389-R391 PolarHBondContact O-N 2.82Å; R391-E393 PolarHBondContact N-OE2 2.83Å
392	Q	89.5	Confident	92.7	Very high	91 Å²	91	41.3 Å²	41.3	43%	0.425	20%	0.198	S	C	.	.	S	Bend	trans	-140.6	-0.8	-175.1	-63.5	-169.3	16	0	0	112.6	R379	R379-Q392 WeakPolarHBondContact CD-O 3.38Å; R379-Q392 PolarHBondContact NH1-O 3.46Å
393	E	94.1	Very high	93	Very high	23 Å²	23	39.3 Å²	39.3	11%	0.107	19%	0.189	C	C	.	.			trans	-65	136.9	173.9	-60.3	79	-175.4	0	0	109.4	A381 Q382 R391	A381-E393 HydrophobicContact CB-CG 4.01Å; Q382-E393 HydrophobicContact CB-CB 4.41Å; Q382-E393 HydrophobicContact CB-CG 3.91Å; Q382-E393 HydrophobicContact CG-CG 4.04Å; R391-E393 PolarHBondContact N-OE2 2.83Å
394	A	96.3	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.			trans	-167.3	146.2	176.2	0	0	0	0	0	111.2	L274 R379 V396	L274-A394 HydrophobicContact CB-CB 4.39Å; R379-A394 PolarHBondContact O-N 3.33Å; A394-V396 HydrophobicContact CB-CG2 3.83Å; A394-V396 PolarHBondContact O-N 3.18Å
395	P	97.7	Very high	93.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.189	C	C	.	.			trans	-79	44	-179.7	36.7	-40.8	0	0	0	112.7	L274 L278 W304 F397 L398 L399	L274-P395 HydrophobicContact CB-CG 4.22Å; L278-P395 HydrophobicContact CB-CG 4.09Å; L278-P395 HydrophobicContact CD2-CB 4.13Å; L278-P395 HydrophobicContact CD2-CG 4.42Å; W304-P395 HydrophobicContact CH2-CB 4.02Å; W304-P395 HydrophobicContact CH2-CG 4.03Å; W304-P395 HydrophobicContact CZ3-CB 4.26Å; W304-P395 HydrophobicContact CZ3-CG 3.79Å; P395-F397 PolarHBondContact O-N 3.15Å; P395-L398 HydrophobicContact CB-CB 4.04Å; P395-L398 HydrophobicContact CB-CD2 4.19Å; P395-L398 PolarHBondContact O-N 2.64Å; P395-L399 HydrophobicContact CG-CD1 4.24Å; P395-L399 WeakPolarHBondContact O-CB 3.46Å; P395-L399 WeakPolarHBondContact O-CG 3.29Å; P395-L399 PolarHBondContact O-N 3.22Å
396	V	98.6	Very high	93.5	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-45.8	-173.5	179.3	0	0	0	0	111.3	L274 D338 Q342 W369 A394 F400	L274-V396 HydrophobicContact CD1-CG2 4.24Å; D338-V396 HydrophobicContact CB-CG1 3.95Å; D338-V396 HydrophobicContact CB-CG2 4.31Å; Q342-V396 HydrophobicContact CG-CG1 3.98Å; Q342-V396 PolarHBondContact NE2-O 2.81Å; W369-V396 HydrophobicContact CH2-CG1 4.13Å; W369-V396 HydrophobicContact CZ3-CG1 4.04Å; A394-V396 HydrophobicContact CB-CG2 3.83Å; A394-V396 PolarHBondContact O-N 3.18Å; V396-F400 PolarHBondContact O-N 2.74Å; V396-F400 VanDerWaalsContact O-N 3.13Å
397	F	98.8	Very high	93.9	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.013	18%	0.176	C	C	.	.	H	α-helix	trans	-70.6	-37.8	177.1	-169.6	-119	0	0	0	111.9	V365 W369 F376 P395 L399 F400 L401 L425 A429 F437	V365-F397 HydrophobicContact CG1-CE2 4.41Å; V365-F397 HydrophobicContact CG1-CZ 4.18Å; V365-F397 HydrophobicContact CG2-CE2 4.41Å; V365-F397 HydrophobicContact CG2-CZ 4.27Å; W369-F397 AromaticContact CD2-CD2 3.59Å; W369-F397 HydrophobicContact CD2-CD2 3.59Å; W369-F397 AromaticContact CD2-CE2 3.84Å; W369-F397 HydrophobicContact CD2-CE2 3.84Å; W369-F397 AromaticContact CE2-CD2 3.87Å; W369-F397 HydrophobicContact CE3-CB 4.43Å; W369-F397 AromaticContact CE3-CD2 3.5Å; W369-F397 HydrophobicContact CE3-CD2 3.5Å; W369-F397 VanDerWaalsContact CE3-CD2 3.5Å; W369-F397 HydrophobicContact CE3-CE2 4.19Å; W369-F397 HydrophobicContact CE3-CG 4.38Å; W369-F397 HydrophobicContact CG-CD2 4.26Å; W369-F397 HydrophobicContact CG-CE2 4.05Å; W369-F397 AromaticContact CH2-CD2 3.95Å; W369-F397 HydrophobicContact CH2-CD2 3.95Å; W369-F397 HydrophobicContact CZ2-CD2 4.07Å; W369-F397 HydrophobicContact CZ3-CB 4.03Å; W369-F397 AromaticContact CZ3-CD2 3.68Å; W369-F397 HydrophobicContact CZ3-CD2 3.68Å; W369-F397 HydrophobicContact CZ3-CG 4.35Å; F376-F397 HydrophobicContact CE1-CB 3.87Å; F376-F397 AromaticContact CE1-CD1 3.7Å; F376-F397 HydrophobicContact CE1-CD1 3.7Å; F376-F397 HydrophobicContact CE1-CD2 4.05Å; F376-F397 HydrophobicContact CE1-CE1 4.19Å; F376-F397 AromaticContact CE1-CG 3.61Å; F376-F397 HydrophobicContact CE1-CG 3.61Å; F376-F397 HydrophobicContact CZ-CB 4.43Å; F376-F397 HydrophobicContact CZ-CD1 4.25Å; F376-F397 AromaticContact CZ-CD2 3.88Å; F376-F397 HydrophobicContact CZ-CD2 3.88Å; F376-F397 HydrophobicContact CZ-CE1 4.45Å; F376-F397 HydrophobicContact CZ-CE2 4.12Å; F376-F397 AromaticContact CZ-CG 3.94Å; F376-F397 HydrophobicContact CZ-CG 3.94Å; F376-F397 HydrophobicContact CZ-CZ 4.4Å; P395-F397 PolarHBondContact O-N 3.15Å; F397-L399 PolarHBondContact O-N 2.88Å; F397-F400 AromaticContact CD2-CD1 3.8Å; F397-F400 HydrophobicContact CD2-CD1 3.8Å; F397-F400 HydrophobicContact CD2-CE1 4.48Å; F397-F400 AromaticContact CE2-CD1 3.66Å; F397-F400 HydrophobicContact CE2-CD1 3.66Å; F397-F400 AromaticContact CE2-CE1 3.91Å; F397-F400 HydrophobicContact CE2-CE1 3.91Å; F397-F400 WeakPolarHBondContact O-CB 3.41Å; F397-F400 PolarHBondContact O-N 2.8Å; F397-F400 VanDerWaalsContact O-N 3.14Å; F397-L401 HydrophobicContact CD1-CD1 3.88Å; F397-L401 HydrophobicContact CD1-CG 4.35Å; F397-L401 HydrophobicContact CE1-CD1 3.73Å; F397-L401 HydrophobicContact CE1-CD2 4.34Å; F397-L401 HydrophobicContact CE1-CG 4.19Å; F397-L401 HydrophobicContact CZ-CD1 4.37Å; F397-L401 HydrophobicContact CZ-CD2 4.17Å; F397-L401 HydrophobicContact CZ-CG 4.39Å; F397-L401 WeakPolarHBondContact O-CG 3.36Å; F397-L401 PolarHBondContact O-N 3.2Å; F397-L425 HydrophobicContact CE1-CB 4.28Å; F397-A429 HydrophobicContact CD1-CB 3.79Å; F397-A429 HydrophobicContact CE1-CB 4.11Å; F397-F437 HydrophobicContact CE1-CE1 4.07Å; F397-F437 HydrophobicContact CE1-CZ 4.14Å; F397-F437 HydrophobicContact CZ-CE1 4.09Å; F397-F437 HydrophobicContact CZ-CZ 4.24Å
398	L	98.8	Very high	94.7	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-43	174.3	172.9	60.2	0	0	0	112.1	L278 W304 P395 F400 L401 D402 F426 W494 V497 F498	L278-L398 HydrophobicContact CD1-CD2 3.96Å; W304-L398 HydrophobicContact CH2-CD2 4.04Å; W304-L398 HydrophobicContact CH2-CG 4.1Å; W304-L398 HydrophobicContact CZ2-CD2 4.44Å; W304-L398 HydrophobicContact CZ2-CG 4.22Å; P395-L398 HydrophobicContact CB-CB 4.04Å; P395-L398 HydrophobicContact CB-CD2 4.19Å; P395-L398 PolarHBondContact O-N 2.64Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 PolarHBondContact O-N 3.2Å; L398-L401 PolarHBondContact O-N 3.11Å; L398-D402 PolarHBondContact O-N 2.99Å; L398-F426 HydrophobicContact CB-CD2 4.28Å; L398-F426 HydrophobicContact CD1-CB 4.37Å; L398-F426 HydrophobicContact CD1-CD2 3.74Å; L398-F426 HydrophobicContact CD1-CE2 4.2Å; L398-F426 HydrophobicContact CD1-CG 4.03Å; L398-F426 HydrophobicContact CD2-CD2 4.22Å; L398-F426 HydrophobicContact CD2-CE2 3.91Å; L398-F426 HydrophobicContact CG-CD2 4.29Å; L398-F426 HydrophobicContact CG-CE2 4.48Å; L398-W494 HydrophobicContact CD1-CZ3 4.21Å; L398-V497 HydrophobicContact CD1-CG1 4.29Å; L398-F498 HydrophobicContact CD2-CE1 4.31Å; L398-F498 HydrophobicContact CD2-CZ 4.21Å
399	L	98.8	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-35.6	173.4	-79.7	164.4	0	0	0	112.1	L274 W304 H307 I308 I311 P395 F397 C403	L274-L399 HydrophobicContact CB-CD1 4.27Å; L274-L399 HydrophobicContact CD1-CD1 3.85Å; L274-L399 HydrophobicContact CD2-CD1 3.82Å; L274-L399 HydrophobicContact CG-CD1 4.2Å; W304-L399 HydrophobicContact CD2-CD2 3.93Å; W304-L399 HydrophobicContact CE3-CD2 3.97Å; W304-L399 HydrophobicContact CH2-CD1 4.5Å; W304-L399 HydrophobicContact CH2-CD2 3.52Å; W304-L399 HydrophobicContact CH2-CG 3.56Å; W304-L399 HydrophobicContact CZ2-CD2 3.45Å; W304-L399 VanDerWaalsContact CZ2-CD2 3.45Å; W304-L399 HydrophobicContact CZ2-CG 3.88Å; W304-L399 HydrophobicContact CZ3-CD2 3.77Å; W304-L399 HydrophobicContact CZ3-CG 3.97Å; H307-L399 HydrophobicContact CB-CD2 4.2Å; I308-L399 HydrophobicContact CD1-CD2 3.63Å; I308-L399 HydrophobicContact CG1-CD2 4.28Å; I311-L399 HydrophobicContact CD1-CB 4.18Å; P395-L399 HydrophobicContact CG-CD1 4.24Å; P395-L399 WeakPolarHBondContact O-CB 3.46Å; P395-L399 WeakPolarHBondContact O-CG 3.29Å; P395-L399 PolarHBondContact O-N 3.22Å; F397-L399 PolarHBondContact O-N 2.88Å; L399-C403 PolarHBondContact O-N 3.08Å; L399-C403 PolarHBondContact O-SG 2.86Å
400	F	98.9	Very high	96.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-49.3	172.2	160.4	-107.6	0	0	0	110.9	Q342 S345 L346 I349 F361 W369 V396 F397 L398 D402 C403 V404	Q342-F400 HydrophobicContact CG-CB 4.28Å; S345-F400 VanDerWaalsContact CB-CE2 3.43Å; L346-F400 HydrophobicContact CD1-CD2 4.43Å; L346-F400 HydrophobicContact CD2-CD2 4.02Å; L346-F400 HydrophobicContact CD2-CE2 4.01Å; L346-F400 HydrophobicContact CG-CD2 3.87Å; L346-F400 HydrophobicContact CG-CE2 4.03Å; I349-F400 HydrophobicContact CD1-CE2 3.95Å; I349-F400 HydrophobicContact CD1-CZ 4Å; F361-F400 HydrophobicContact CE1-CE1 4.37Å; F361-F400 HydrophobicContact CE2-CE1 4.47Å; F361-F400 HydrophobicContact CE2-CZ 4.03Å; F361-F400 AromaticContact CZ-CE1 3.7Å; F361-F400 HydrophobicContact CZ-CE1 3.7Å; F361-F400 AromaticContact CZ-CZ 3.71Å; F361-F400 HydrophobicContact CZ-CZ 3.71Å; W369-F400 AromaticContact CE2-CD1 3.89Å; W369-F400 HydrophobicContact CH2-CB 3.63Å; W369-F400 HydrophobicContact CH2-CD1 4.39Å; W369-F400 HydrophobicContact CH2-CG 4.04Å; W369-F400 HydrophobicContact CZ2-CB 3.45Å; W369-F400 VanDerWaalsContact CZ2-CB 3.45Å; W369-F400 AromaticContact CZ2-CD1 3.63Å; W369-F400 HydrophobicContact CZ2-CD1 3.63Å; W369-F400 AromaticContact CZ2-CD2 3.8Å; W369-F400 HydrophobicContact CZ2-CD2 3.8Å; W369-F400 HydrophobicContact CZ2-CE1 4.31Å; W369-F400 HydrophobicContact CZ2-CE2 4.47Å; W369-F400 AromaticContact CZ2-CG 3.32Å; W369-F400 HydrophobicContact CZ2-CG 3.32Å; W369-F400 AromaticContact NE1-CE1 3.85Å; V396-F400 PolarHBondContact O-N 2.74Å; V396-F400 VanDerWaalsContact O-N 3.13Å; F397-F400 AromaticContact CD2-CD1 3.8Å; F397-F400 HydrophobicContact CD2-CD1 3.8Å; F397-F400 HydrophobicContact CD2-CE1 4.48Å; F397-F400 AromaticContact CE2-CD1 3.66Å; F397-F400 HydrophobicContact CE2-CD1 3.66Å; F397-F400 AromaticContact CE2-CE1 3.91Å; F397-F400 HydrophobicContact CE2-CE1 3.91Å; F397-F400 WeakPolarHBondContact O-CB 3.41Å; F397-F400 PolarHBondContact O-N 2.8Å; F397-F400 VanDerWaalsContact O-N 3.14Å; L398-F400 VanDerWaalsContact C-N 3.27Å; L398-F400 PolarHBondContact O-N 3.2Å; F400-D402 VanDerWaalsContact C-N 3.32Å; F400-D402 PolarHBondContact O-N 3.3Å; F400-C403 WeakPolarHBondContact O-CB 3.16Å; F400-C403 PolarHBondContact O-N 2.69Å; F400-C403 VanDerWaalsContact O-N 3.15Å; F400-V404 HydrophobicContact CD2-CG2 4.11Å; F400-V404 HydrophobicContact CE1-CG2 4.25Å; F400-V404 HydrophobicContact CE2-CG2 3.63Å; F400-V404 HydrophobicContact CZ-CG2 3.72Å; F400-V404 WeakPolarHBondContact O-CG2 3.34Å; F400-V404 PolarHBondContact O-N 3.4Å
401	L	98.9	Very high	97.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-38.9	179	-65	173.4	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 4.22Å; F397-L401 HydrophobicContact CD1-CD1 3.88Å; F397-L401 HydrophobicContact CD1-CG 4.35Å; F397-L401 HydrophobicContact CE1-CD1 3.73Å; F397-L401 HydrophobicContact CE1-CD2 4.34Å; F397-L401 HydrophobicContact CE1-CG 4.19Å; F397-L401 HydrophobicContact CZ-CD1 4.37Å; F397-L401 HydrophobicContact CZ-CD2 4.17Å; F397-L401 HydrophobicContact CZ-CG 4.39Å; F397-L401 WeakPolarHBondContact O-CG 3.36Å; F397-L401 PolarHBondContact O-N 3.2Å; L398-L401 PolarHBondContact O-N 3.11Å; L401-V404 WeakPolarHBondContact O-CB 3.34Å; L401-V404 PolarHBondContact O-N 3.45Å; L401-V404 VanDerWaalsContact O-N 3.16Å; L401-W405 PolarHBondContact O-N 2.84Å; L401-L422 HydrophobicContact CD2-CD2 4.05Å; L401-L425 HydrophobicContact CD1-CB 3.99Å; L401-L425 HydrophobicContact CD2-CB 4.22Å; L401-L425 HydrophobicContact CD2-CD1 4.07Å; L401-F426 HydrophobicContact CD1-CB 3.88Å; L401-W494 HydrophobicContact CB-CH2 4.01Å; L401-W494 HydrophobicContact CB-CZ3 3.87Å
402	D	98.9	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-46.1	173.5	-171.6	-35.1	0	0	0	110.6	W304 I308 L398 F400 V404 W405 Q406 W494	W304-D402 PolarHBondContact NE1-OD2 3.03Å; I308-D402 HydrophobicContact CD1-CB 3.6Å; L398-D402 PolarHBondContact O-N 2.99Å; F400-D402 VanDerWaalsContact C-N 3.32Å; F400-D402 PolarHBondContact O-N 3.3Å; D402-V404 VanDerWaalsContact C-N 3.25Å; D402-V404 PolarHBondContact O-N 3.25Å; D402-W405 CarbonylContact O-C 3.54Å; D402-W405 WeakPolarHBondContact O-CA 3.46Å; D402-W405 WeakPolarHBondContact O-CB 3.31Å; D402-W405 PolarHBondContact O-N 3.33Å; D402-Q406 WeakPolarHBondContact O-CG 3.39Å; D402-Q406 PolarHBondContact O-N 3.2Å; D402-Q406 PolarHBondContact OD1-NE2 3.09Å; D402-W494 VanDerWaalsContact CA-CE3 3.47Å; D402-W494 HydrophobicContact CB-CE3 3.67Å; D402-W494 HydrophobicContact CB-CZ3 4.1Å
403	C	98.9	Very high	98.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55.4	-40.6	172.3	-67.4	0	0	0	0	112.3	L312 L346 L399 F400 Q406 I407	L312-C403 HydrophobicContact CD2-CB 3.8Å; L312-C403 HydrophobicContact CG-CB 4.02Å; L346-C403 HydrophobicContact CD1-CB 3.56Å; L346-C403 HydrophobicContact CD2-CB 3.61Å; L346-C403 HydrophobicContact CG-CB 4.23Å; L399-C403 PolarHBondContact O-N 3.08Å; L399-C403 PolarHBondContact O-SG 2.86Å; F400-C403 WeakPolarHBondContact O-CB 3.16Å; F400-C403 PolarHBondContact O-N 2.69Å; F400-C403 VanDerWaalsContact O-N 3.15Å; C403-Q406 PolarHBondContact O-N 3.38Å; C403-I407 WeakPolarHBondContact O-CG1 3.4Å; C403-I407 PolarHBondContact O-N 2.99Å
404	V	98.9	Very high	98.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65	-43.2	175.2	179.1	0	0	0	0	110.8	L346 I349 F361 F400 L401 D402 Q406 I407 L408 F415 F417 L422	L346-V404 HydrophobicContact CD2-CG2 3.83Å; I349-V404 HydrophobicContact CD1-CG1 4.45Å; I349-V404 HydrophobicContact CD1-CG2 3.55Å; F361-V404 HydrophobicContact CE2-CB 4.49Å; F361-V404 HydrophobicContact CE2-CG1 3.83Å; F361-V404 HydrophobicContact CE2-CG2 3.95Å; F361-V404 HydrophobicContact CZ-CG1 4.26Å; F361-V404 HydrophobicContact CZ-CG2 4.11Å; F400-V404 HydrophobicContact CD2-CG2 4.11Å; F400-V404 HydrophobicContact CE1-CG2 4.25Å; F400-V404 HydrophobicContact CE2-CG2 3.63Å; F400-V404 HydrophobicContact CZ-CG2 3.72Å; F400-V404 WeakPolarHBondContact O-CG2 3.34Å; F400-V404 PolarHBondContact O-N 3.4Å; L401-V404 WeakPolarHBondContact O-CB 3.34Å; L401-V404 PolarHBondContact O-N 3.45Å; L401-V404 VanDerWaalsContact O-N 3.16Å; D402-V404 VanDerWaalsContact C-N 3.25Å; D402-V404 PolarHBondContact O-N 3.25Å; V404-Q406 VanDerWaalsContact C-N 3.31Å; V404-Q406 PolarHBondContact O-N 3.01Å; V404-I407 PolarHBondContact O-N 2.85Å; V404-I407 VanDerWaalsContact O-N 3.09Å; V404-L408 WeakPolarHBondContact O-CB 3.46Å; V404-L408 PolarHBondContact O-N 2.82Å; V404-F415 HydrophobicContact CG1-CE1 4.45Å; V404-F417 HydrophobicContact CG1-CE2 4.08Å; V404-F417 HydrophobicContact CG1-CZ 4.1Å; V404-L422 HydrophobicContact CB-CD1 4.34Å; V404-L422 HydrophobicContact CB-CD2 4.41Å; V404-L422 HydrophobicContact CG1-CD1 4.02Å; V404-L422 HydrophobicContact CG1-CD2 3.92Å
405	W	98.8	Very high	98.4	Very high	20 Å²	20	16.9 Å²	16.9	8%	0.076	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-38.7	175.1	177.9	85.9	0	0	0	112.3	L401 D402 I407 L408 R409 E419 L422 L492 L493 W494	L401-W405 PolarHBondContact O-N 2.84Å; D402-W405 CarbonylContact O-C 3.54Å; D402-W405 WeakPolarHBondContact O-CA 3.46Å; D402-W405 WeakPolarHBondContact O-CB 3.31Å; D402-W405 PolarHBondContact O-N 3.33Å; W405-I407 VanDerWaalsContact C-N 3.3Å; W405-I407 PolarHBondContact O-N 3.07Å; W405-L408 WeakPolarHBondContact O-CB 3.47Å; W405-L408 PolarHBondContact O-N 2.92Å; W405-R409 WeakPolarHBondContact O-CB 3.35Å; W405-R409 PolarHBondContact O-N 3.41Å; W405-E419 VanDerWaalsContact NE1-CD 3.26Å; W405-E419 PolarHBondContact NE1-OE2 2.94Å; W405-L422 HydrophobicContact CB-CD1 3.92Å; W405-L492 HydrophobicContact CH2-CB 4.13Å; W405-L492 HydrophobicContact CZ3-CB 4.26Å; W405-L493 WeakPolarHBondContact CH2-O 3.27Å; W405-W494 HydrophobicContact CB-CD2 3.97Å; W405-W494 HydrophobicContact CB-CE3 4.25Å; W405-W494 HydrophobicContact CB-CG 4.45Å; W405-W494 HydrophobicContact CB-CH2 4.42Å; W405-W494 HydrophobicContact CB-CZ2 4.15Å; W405-W494 HydrophobicContact CB-CZ3 4.47Å; W405-W494 AromaticContact CD1-CD1 3.65Å; W405-W494 AromaticContact CD1-CE2 3.61Å; W405-W494 AromaticContact CD1-NE1 3.26Å; W405-W494 VanDerWaalsContact CD1-NE1 3.26Å; W405-W494 HydrophobicContact CD2-CB 4.06Å; W405-W494 AromaticContact CD2-CD1 3.51Å; W405-W494 HydrophobicContact CD2-CD2 4.1Å; W405-W494 AromaticContact CD2-CG 3.63Å; W405-W494 HydrophobicContact CD2-CG 3.63Å; W405-W494 AromaticContact CD2-NE1 3.93Å; W405-W494 AromaticContact CE2-CD1 3.34Å; W405-W494 AromaticContact CE2-CG 3.93Å; W405-W494 AromaticContact CE2-NE1 3.8Å; W405-W494 HydrophobicContact CE3-CB 3.8Å; W405-W494 AromaticContact CE3-CG 3.9Å; W405-W494 HydrophobicContact CE3-CG 3.9Å; W405-W494 AromaticContact CG-CD1 3.72Å; W405-W494 AromaticContact CG-CD2 3.83Å; W405-W494 HydrophobicContact CG-CD2 3.83Å; W405-W494 AromaticContact CG-CE2 3.65Å; W405-W494 AromaticContact CG-CG 3.88Å; W405-W494 HydrophobicContact CG-CG 3.88Å; W405-W494 HydrophobicContact CG-CZ2 4.25Å; W405-W494 AromaticContact CG-NE1 3.62Å; W405-W494 HydrophobicContact CH2-CB 4.37Å; W405-W494 AromaticContact CZ2-CD1 3.86Å; W405-W494 HydrophobicContact CZ2-CG 4.44Å; W405-W494 HydrophobicContact CZ3-CB 3.97Å; W405-W494 HydrophobicContact CZ3-CG 4.41Å; W405-W494 AromaticContact NE1-CD1 3.4Å; W405-W494 AromaticContact NE1-NE1 3.36Å
406	Q	98.9	Very high	98.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-39.6	173.6	-59.7	-59.7	-28.3	0	0	112	I308 L312 D402 C403 V404 Q410 L491 L492	I308-Q406 HydrophobicContact CG2-CG 3.76Å; L312-Q406 HydrophobicContact CD1-CB 3.96Å; L312-Q406 HydrophobicContact CD1-CG 4.17Å; D402-Q406 WeakPolarHBondContact O-CG 3.39Å; D402-Q406 PolarHBondContact O-N 3.2Å; D402-Q406 PolarHBondContact OD1-NE2 3.09Å; C403-Q406 PolarHBondContact O-N 3.38Å; V404-Q406 VanDerWaalsContact C-N 3.31Å; V404-Q406 PolarHBondContact O-N 3.01Å; Q406-Q410 VanDerWaalsContact O-CG 3.32Å; Q406-Q410 WeakPolarHBondContact O-CG 3.31Å; Q406-Q410 PolarHBondContact O-N 3.24Å; Q406-L491 HydrophobicContact CB-CD2 4.33Å; Q406-L491 HydrophobicContact CG-CD2 4.12Å; Q406-L492 PolarHBondContact NE2-O 2.63Å
407	I	98.8	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-71.9	-45.8	177.7	-56.8	171.6	0	0	0	110	L312 L346 I349 I350 C403 V404 W405 R409 Q410 F411 F415 I482 P484	L312-I407 HydrophobicContact CD2-CD1 3.93Å; L312-I407 HydrophobicContact CD2-CG1 4.01Å; L346-I407 HydrophobicContact CD2-CD1 4.04Å; I349-I407 HydrophobicContact CG2-CD1 4.37Å; I350-I407 HydrophobicContact CG1-CD1 4.25Å; C403-I407 WeakPolarHBondContact O-CG1 3.4Å; C403-I407 PolarHBondContact O-N 2.99Å; V404-I407 PolarHBondContact O-N 2.85Å; V404-I407 VanDerWaalsContact O-N 3.09Å; W405-I407 VanDerWaalsContact C-N 3.3Å; W405-I407 PolarHBondContact O-N 3.07Å; I407-R409 VanDerWaalsContact C-N 3.31Å; I407-R409 PolarHBondContact O-N 2.88Å; I407-Q410 PolarHBondContact O-N 3.27Å; I407-Q410 VanDerWaalsContact O-N 3.11Å; I407-F411 HydrophobicContact CG2-CD2 3.89Å; I407-F411 HydrophobicContact CG2-CE2 4.42Å; I407-F411 WeakPolarHBondContact O-CD2 3.31Å; I407-F411 PolarHBondContact O-N 3.13Å; I407-F415 HydrophobicContact CB-CZ 4.19Å; I407-F415 HydrophobicContact CG2-CE2 3.86Å; I407-F415 HydrophobicContact CG2-CZ 3.66Å; I407-I482 HydrophobicContact CG2-CD1 3.62Å; I407-I482 HydrophobicContact CG2-CG1 4.4Å; I407-P484 HydrophobicContact CD1-CG 4.32Å; I407-P484 HydrophobicContact CG1-CB 4Å; I407-P484 HydrophobicContact CG1-CG 3.97Å
408	L	98.5	Very high	98.4	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.089	10%	0.1	C	C	.	.	H	α-helix	trans	-50.6	-50.9	175.2	-176	98.9	0	0	0	110.8	V404 W405 Q410 F411 P412 F415 F417	V404-L408 WeakPolarHBondContact O-CB 3.46Å; V404-L408 PolarHBondContact O-N 2.82Å; W405-L408 WeakPolarHBondContact O-CB 3.47Å; W405-L408 PolarHBondContact O-N 2.92Å; L408-Q410 VanDerWaalsContact C-N 3.31Å; L408-Q410 PolarHBondContact O-N 3.47Å; L408-F411 CarbonylContact O-C 3.5Å; L408-F411 PolarHBondContact O-N 3.19Å; L408-F411 VanDerWaalsContact O-N 3.14Å; L408-P412 VanDerWaalsContact O-CA 3.28Å; L408-P412 WeakPolarHBondContact O-CA 3.31Å; L408-P412 VanDerWaalsContact O-N 3.11Å; L408-F415 HydrophobicContact CB-CD2 4.39Å; L408-F415 HydrophobicContact CD1-CB 3.43Å; L408-F415 VanDerWaalsContact CD1-CB 3.43Å; L408-F415 HydrophobicContact CD1-CD1 4.21Å; L408-F415 HydrophobicContact CD1-CD2 3.93Å; L408-F415 HydrophobicContact CD1-CG 3.62Å; L408-F417 HydrophobicContact CD1-CD2 4.15Å; L408-F417 HydrophobicContact CD1-CE2 4.03Å; L408-F417 WeakPolarHBondContact CD1-O 3.47Å
409	R	97.9	Very high	98.3	Very high	83 Å²	83	22.7 Å²	22.7	31%	0.313	11%	0.113	S	C	.	.	H	α-helix	trans	-63.1	-34.5	-179.9	-176.5	176.6	59.7	86.2	5.1	113.3	W405 I407 S490 L492	W405-R409 WeakPolarHBondContact O-CB 3.35Å; W405-R409 PolarHBondContact O-N 3.41Å; I407-R409 VanDerWaalsContact C-N 3.31Å; I407-R409 PolarHBondContact O-N 2.88Å; R409-S490 PolarHBondContact NH2-O 3.33Å; R409-L492 VanDerWaalsContact CZ-CD1 3.43Å; R409-L492 VanDerWaalsContact CZ-CG 3.45Å
410	Q	98.4	Very high	98.2	Very high	51 Å²	51	25.9 Å²	25.9	24%	0.238	14%	0.135	C	C	.	.	H	α-helix	trans	-79.1	-22.2	177.6	-69.4	-176.1	52.1	0	0	112.8	Q406 I407 L408 S485	Q406-Q410 VanDerWaalsContact O-CG 3.32Å; Q406-Q410 WeakPolarHBondContact O-CG 3.31Å; Q406-Q410 PolarHBondContact O-N 3.24Å; I407-Q410 PolarHBondContact O-N 3.27Å; I407-Q410 VanDerWaalsContact O-N 3.11Å; L408-Q410 VanDerWaalsContact C-N 3.31Å; L408-Q410 PolarHBondContact O-N 3.47Å; Q410-S485 PolarHBondContact NE2-O 2.92Å
411	F	98.3	Very high	98.2	Very high	50 Å²	50	25.9 Å²	25.9	22%	0.219	14%	0.135	C	C	.	.	S	Bend	trans	-131.4	63.9	179.4	-59.6	-82.1	0	0	0	111.3	I407 L408 C413 S414 F415 I482 P484	I407-F411 HydrophobicContact CG2-CD2 3.89Å; I407-F411 HydrophobicContact CG2-CE2 4.42Å; I407-F411 WeakPolarHBondContact O-CD2 3.31Å; I407-F411 PolarHBondContact O-N 3.13Å; L408-F411 CarbonylContact O-C 3.5Å; L408-F411 PolarHBondContact O-N 3.19Å; L408-F411 VanDerWaalsContact O-N 3.14Å; F411-C413 PolarHBondContact O-N 2.82Å; F411-C413 VanDerWaalsContact O-N 3.08Å; F411-S414 PolarHBondContact O-N 3.42Å; F411-F415 HydrophobicContact CB-CE2 4.41Å; F411-I482 HydrophobicContact CB-CD1 4.46Å; F411-I482 HydrophobicContact CD1-CB 4.09Å; F411-I482 HydrophobicContact CD1-CG2 3.93Å; F411-I482 HydrophobicContact CD2-CB 4.02Å; F411-I482 HydrophobicContact CD2-CD1 4.1Å; F411-I482 HydrophobicContact CD2-CG1 4.49Å; F411-I482 HydrophobicContact CE1-CB 4Å; F411-I482 HydrophobicContact CE1-CG2 4.11Å; F411-I482 HydrophobicContact CE2-CB 3.92Å; F411-I482 HydrophobicContact CG-CB 4.11Å; F411-I482 HydrophobicContact CG-CD1 4.29Å; F411-I482 HydrophobicContact CG-CG2 4.19Å; F411-I482 HydrophobicContact CZ-CB 3.91Å; F411-P484 HydrophobicContact CE2-CB 4.2Å
412	P	96.1	Very high	98.2	Very high	66 Å²	66	25.9 Å²	25.9	43%	0.429	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26	-166.8	23.6	-35	0	0	0	114.2	L408 N472	L408-P412 VanDerWaalsContact O-CA 3.28Å; L408-P412 WeakPolarHBondContact O-CA 3.31Å; L408-P412 VanDerWaalsContact O-N 3.11Å; P412-N472 PolarHBondContact O-ND2 3.23Å
413	C	96.9	Very high	98.2	Very high	47 Å²	47	26.8 Å²	26.8	32%	0.318	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.4	178	-49.7	0	0	0	0	113.3	F411 F415 L474 Y475 E476	F411-C413 PolarHBondContact O-N 2.82Å; F411-C413 VanDerWaalsContact O-N 3.08Å; C413-F415 PolarHBondContact O-N 3.41Å; C413-L474 VanDerWaalsContact CA-O 3.3Å; C413-L474 WeakPolarHBondContact CA-O 3.46Å; C413-L474 VanDerWaalsContact CB-O 3.24Å; C413-L474 WeakPolarHBondContact CB-O 3.4Å; C413-Y475 CarbonylContact O-C 3.55Å; C413-Y475 WeakPolarHBondContact O-CA 3.38Å; C413-Y475 WeakPolarHBondContact O-CD2 3.47Å; C413-E476 HydrophobicContact CB-CB 4.39Å; C413-E476 PolarHBondContact O-N 3.31Å
414	S	98.4	Very high	98.2	Very high	10 Å²	10	27.5 Å²	27.5	7%	0.07	15%	0.145	C	C	.	.	S	Bend	trans	-88.6	-0.9	-169.8	-64.3	0	0	0	0	114.8	R356 F411 N478	R356-S414 VanDerWaalsContact CB-O 3.3Å; R356-S414 WeakPolarHBondContact CB-O 3.14Å; R356-S414 WeakPolarHBondContact CD-O 3.28Å; F411-S414 PolarHBondContact O-N 3.42Å; S414-N478 PolarHBondContact OG-ND2 3.32Å
415	F	98.6	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.			trans	-123.5	132.8	-177	-69.2	-96.7	0	0	0	110.9	I349 R356 V404 I407 L408 F411 C413 F417 N472 Y475 I482	I349-F415 HydrophobicContact CG2-CE1 3.7Å; I349-F415 HydrophobicContact CG2-CZ 3.75Å; R356-F415 HydrophobicContact CB-CD1 3.65Å; R356-F415 HydrophobicContact CB-CE1 3.96Å; R356-F415 HydrophobicContact CB-CG 4.17Å; R356-F415 HydrophobicContact CG-CD1 3.95Å; R356-F415 HydrophobicContact CG-CE1 3.71Å; R356-F415 HydrophobicContact CG-CZ 4.13Å; R356-F415 WeakPolarHBondContact O-CA 3.32Å; V404-F415 HydrophobicContact CG1-CE1 4.45Å; I407-F415 HydrophobicContact CB-CZ 4.19Å; I407-F415 HydrophobicContact CG2-CE2 3.86Å; I407-F415 HydrophobicContact CG2-CZ 3.66Å; L408-F415 HydrophobicContact CB-CD2 4.39Å; L408-F415 HydrophobicContact CD1-CB 3.43Å; L408-F415 VanDerWaalsContact CD1-CB 3.43Å; L408-F415 HydrophobicContact CD1-CD1 4.21Å; L408-F415 HydrophobicContact CD1-CD2 3.93Å; L408-F415 HydrophobicContact CD1-CG 3.62Å; F411-F415 HydrophobicContact CB-CE2 4.41Å; C413-F415 PolarHBondContact O-N 3.41Å; F415-F417 VanDerWaalsContact C-N 3.34Å; F415-F417 HydrophobicContact CB-CE2 4.5Å; F415-F417 AromaticContact CD1-CE1 3.81Å; F415-F417 HydrophobicContact CD1-CE1 3.81Å; F415-F417 AromaticContact CD1-CE2 3.78Å; F415-F417 HydrophobicContact CD1-CE2 3.78Å; F415-F417 AromaticContact CD1-CZ 3.33Å; F415-F417 HydrophobicContact CD1-CZ 3.33Å; F415-F417 HydrophobicContact CE1-CE2 4.42Å; F415-F417 AromaticContact CE1-CZ 3.84Å; F415-F417 HydrophobicContact CE1-CZ 3.84Å; F415-F417 HydrophobicContact CG-CE2 4.47Å; F415-F417 HydrophobicContact CG-CZ 4.35Å; F415-N472 WeakPolarHBondContact O-CB 3.5Å; F415-N472 PolarHBondContact O-ND2 2.92Å; F415-Y475 WeakPolarHBondContact O-CB 3.15Å; F415-Y475 VanDerWaalsContact O-CD2 3.29Å; F415-Y475 WeakPolarHBondContact O-CD2 3.48Å; F415-I482 HydrophobicContact CE2-CD1 3.87Å; F415-I482 HydrophobicContact CZ-CD1 3.95Å
416	E	98.6	Very high	98.1	Very high	58 Å²	58	26.6 Å²	26.6	27%	0.271	14%	0.141	S	C	.	.	S	Bend	trans	-74.1	-29.1	178.1	-171.8	-178.8	-145	0	0	111.6	R356 T357 I358 T471 N472 Y475	R356-E416 PolarHBondContact O-N 3.23Å; T357-E416 WeakPolarHBondContact CA-OE2 3.27Å; T357-E416 WeakPolarHBondContact CB-OE2 3.3Å; I358-E416 HydrophobicContact CD1-CG 4.23Å; I358-E416 HydrophobicContact CG1-CB 4.46Å; I358-E416 HydrophobicContact CG1-CG 4.2Å; I358-E416 PolarHBondContact N-OE2 3.01Å; E416-T471 CarbonylContact O-C 3.52Å; E416-T471 WeakPolarHBondContact O-CA 3.18Å; E416-N472 WeakPolarHBondContact O-CB 3.39Å; E416-N472 PolarHBondContact O-N 2.89Å; E416-Y475 VanDerWaalsContact CA-CG 3.46Å; E416-Y475 HydrophobicContact CB-CD1 3.83Å; E416-Y475 HydrophobicContact CB-CD2 4.17Å; E416-Y475 HydrophobicContact CB-CE1 3.88Å; E416-Y475 HydrophobicContact CB-CE2 4.19Å; E416-Y475 HydrophobicContact CB-CG 3.98Å; E416-Y475 HydrophobicContact CG-CD1 3.88Å; E416-Y475 HydrophobicContact CG-CE1 4.07Å; E416-Y475 HydrophobicContact CG-CG 4.39Å; E416-Y475 VanDerWaalsContact N-CD2 3.26Å
417	F	98.6	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-91.7	152.3	176.5	54.7	-98.5	0	0	0	112	I358 F361 V404 L408 F415 F421 L422 L470	I358-F417 HydrophobicContact CG1-CB 3.8Å; F361-F417 HydrophobicContact CB-CD1 4.16Å; F361-F417 HydrophobicContact CB-CE1 3.63Å; F361-F417 HydrophobicContact CB-CZ 4.39Å; F361-F417 AromaticContact CD2-CE1 3.61Å; F361-F417 HydrophobicContact CD2-CE1 3.61Å; F361-F417 AromaticContact CD2-CZ 3.51Å; F361-F417 HydrophobicContact CD2-CZ 3.51Å; F361-F417 HydrophobicContact CE2-CE1 4.43Å; F361-F417 AromaticContact CE2-CZ 3.89Å; F361-F417 HydrophobicContact CE2-CZ 3.89Å; F361-F417 HydrophobicContact CG-CD1 4.49Å; F361-F417 AromaticContact CG-CE1 3.73Å; F361-F417 HydrophobicContact CG-CE1 3.73Å; F361-F417 AromaticContact CG-CZ 3.99Å; F361-F417 HydrophobicContact CG-CZ 3.99Å; V404-F417 HydrophobicContact CG1-CE2 4.08Å; V404-F417 HydrophobicContact CG1-CZ 4.1Å; L408-F417 HydrophobicContact CD1-CD2 4.15Å; L408-F417 HydrophobicContact CD1-CE2 4.03Å; L408-F417 WeakPolarHBondContact CD1-O 3.47Å; F415-F417 VanDerWaalsContact C-N 3.34Å; F415-F417 HydrophobicContact CB-CE2 4.5Å; F415-F417 AromaticContact CD1-CE1 3.81Å; F415-F417 HydrophobicContact CD1-CE1 3.81Å; F415-F417 AromaticContact CD1-CE2 3.78Å; F415-F417 HydrophobicContact CD1-CE2 3.78Å; F415-F417 AromaticContact CD1-CZ 3.33Å; F415-F417 HydrophobicContact CD1-CZ 3.33Å; F415-F417 HydrophobicContact CE1-CE2 4.42Å; F415-F417 AromaticContact CE1-CZ 3.84Å; F415-F417 HydrophobicContact CE1-CZ 3.84Å; F415-F417 HydrophobicContact CG-CE2 4.47Å; F415-F417 HydrophobicContact CG-CZ 4.35Å; F417-F421 HydrophobicContact CB-CB 3.81Å; F417-F421 HydrophobicContact CB-CD1 3.51Å; F417-F421 HydrophobicContact CB-CE1 4.26Å; F417-F421 HydrophobicContact CB-CG 3.8Å; F417-F421 HydrophobicContact CD1-CD1 4.06Å; F417-F421 HydrophobicContact CD1-CE1 4.14Å; F417-F421 AromaticContact CD2-CD1 3.77Å; F417-F421 HydrophobicContact CD2-CD1 3.77Å; F417-F421 HydrophobicContact CE2-CD1 4.47Å; F417-F421 AromaticContact CG-CD1 3.51Å; F417-F421 HydrophobicContact CG-CD1 3.51Å; F417-F421 HydrophobicContact CG-CE1 4.07Å; F417-F421 HydrophobicContact CG-CG 4.29Å; F417-L422 HydrophobicContact CD2-CD2 4.2Å; F417-L422 HydrophobicContact CD2-CG 4.34Å; F417-L422 HydrophobicContact CE2-CD1 4.39Å; F417-L422 HydrophobicContact CE2-CD2 3.74Å; F417-L422 HydrophobicContact CE2-CG 4.16Å; F417-L422 HydrophobicContact CZ-CD2 4.47Å; F417-L470 CarbonylContact C-O 3.55Å; F417-L470 VanDerWaalsContact CA-O 3.29Å; F417-L470 WeakPolarHBondContact CA-O 3.43Å
418	N	97.1	Very high	98.1	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.059	16%	0.16	C	C	.	.			trans	-96.9	-175.7	174.5	66.5	22	0	0	0	112.3	S420 F421 H469 L470 T471 N472	N418-S420 VanDerWaalsContact C-N 3.32Å; N418-S420 PolarHBondContact O-N 3.44Å; N418-S420 VanDerWaalsContact OD1-CB 3.27Å; N418-S420 WeakPolarHBondContact OD1-CB 3.44Å; N418-S420 PolarHBondContact OD1-N 3.33Å; N418-F421 WeakPolarHBondContact O-CB 3.45Å; N418-F421 PolarHBondContact O-N 3.17Å; N418-F421 PolarHBondContact OD1-N 3.04Å; N418-H469 PolarHBondContact ND2-O 3.41Å; N418-L470 VanDerWaalsContact CG-O 3.32Å; N418-L470 PolarHBondContact N-O 2.85Å; N418-L470 PolarHBondContact OD1-O 3.45Å; N418-T471 PolarHBondContact ND2-O 3.38Å; N418-N472 HydrophobicContact CB-CB 4.29Å
419	E	96.9	Very high	98.1	Very high	63 Å²	63	30.3 Å²	30.3	29%	0.294	16%	0.16	S	C	.	.	H	α-helix	trans	-61.7	-37.1	178.4	179.6	169	169.7	0	0	112.9	W405 F421 L422 V423 W494 G496	W405-E419 VanDerWaalsContact NE1-CD 3.26Å; W405-E419 PolarHBondContact NE1-OE2 2.94Å; E419-F421 PolarHBondContact O-N 3.18Å; E419-L422 WeakPolarHBondContact O-CB 3.4Å; E419-L422 PolarHBondContact O-N 3.03Å; E419-V423 HydrophobicContact CG-CG2 4.26Å; E419-V423 WeakPolarHBondContact O-CG2 3.31Å; E419-V423 PolarHBondContact O-N 2.84Å; E419-W494 VanDerWaalsContact CD-NE1 3.33Å; E419-W494 HydrophobicContact CG-CZ2 4.3Å; E419-W494 VanDerWaalsContact OE1-CD1 3.23Å; E419-W494 PolarHBondContact OE1-NE1 3.31Å; E419-G496 VanDerWaalsContact OE1-CA 3.25Å; E419-G496 WeakPolarHBondContact OE1-CA 3.34Å
420	S	97.1	Very high	98	Very high	66 Å²	66	27.1 Å²	27.1	46%	0.462	15%	0.148	S	C	.	.	H	α-helix	trans	-58.5	-34.7	179.7	-51.2	0	0	0	0	112.2	N418 V423 L424	N418-S420 VanDerWaalsContact C-N 3.32Å; N418-S420 PolarHBondContact O-N 3.44Å; N418-S420 VanDerWaalsContact OD1-CB 3.27Å; N418-S420 WeakPolarHBondContact OD1-CB 3.44Å; N418-S420 PolarHBondContact OD1-N 3.33Å; S420-V423 PolarHBondContact O-N 3.37Å; S420-L424 VanDerWaalsContact O-CB 3.23Å; S420-L424 WeakPolarHBondContact O-CB 3.38Å; S420-L424 PolarHBondContact O-N 3.44Å
421	F	98.6	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-42.1	172.9	-179	-111.8	0	0	0	112.9	I358 F361 Q362 F417 N418 E419 L424 L425 V461 L470	I358-F421 HydrophobicContact CG2-CE2 4.41Å; F361-F421 HydrophobicContact CB-CE1 4.26Å; F361-F421 AromaticContact CD1-CE1 3.56Å; F361-F421 HydrophobicContact CD1-CE1 3.56Å; F361-F421 HydrophobicContact CD1-CZ 4.2Å; F361-F421 HydrophobicContact CE1-CE1 4.2Å; F361-F421 HydrophobicContact CG-CE1 4.12Å; Q362-F421 HydrophobicContact CG-CZ 4.14Å; F417-F421 HydrophobicContact CB-CB 3.81Å; F417-F421 HydrophobicContact CB-CD1 3.51Å; F417-F421 HydrophobicContact CB-CE1 4.26Å; F417-F421 HydrophobicContact CB-CG 3.8Å; F417-F421 HydrophobicContact CD1-CD1 4.06Å; F417-F421 HydrophobicContact CD1-CE1 4.14Å; F417-F421 AromaticContact CD2-CD1 3.77Å; F417-F421 HydrophobicContact CD2-CD1 3.77Å; F417-F421 HydrophobicContact CE2-CD1 4.47Å; F417-F421 AromaticContact CG-CD1 3.51Å; F417-F421 HydrophobicContact CG-CD1 3.51Å; F417-F421 HydrophobicContact CG-CE1 4.07Å; F417-F421 HydrophobicContact CG-CG 4.29Å; N418-F421 WeakPolarHBondContact O-CB 3.45Å; N418-F421 PolarHBondContact O-N 3.17Å; N418-F421 PolarHBondContact OD1-N 3.04Å; E419-F421 PolarHBondContact O-N 3.18Å; F421-L424 PolarHBondContact O-N 3.01Å; F421-L425 HydrophobicContact CD1-CD1 4.3Å; F421-L425 HydrophobicContact CE1-CD1 3.84Å; F421-L425 HydrophobicContact CZ-CD1 4.01Å; F421-L425 HydrophobicContact CZ-CG 4.44Å; F421-L425 WeakPolarHBondContact O-CG 3.27Å; F421-L425 PolarHBondContact O-N 3.43Å; F421-L425 VanDerWaalsContact O-N 3.12Å; F421-V461 HydrophobicContact CE2-CG1 4.07Å; F421-L470 HydrophobicContact CB-CB 4.33Å; F421-L470 HydrophobicContact CB-CD2 4.16Å; F421-L470 HydrophobicContact CD2-CD1 4.22Å
422	L	98.8	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69.2	-39.6	178.1	-58.7	179.4	0	0	0	111.5	F361 L401 V404 W405 F417 E419 L425 F426 W494	F361-L422 HydrophobicContact CE1-CD2 4.36Å; F361-L422 HydrophobicContact CZ-CD2 4.08Å; L401-L422 HydrophobicContact CD2-CD2 4.05Å; V404-L422 HydrophobicContact CB-CD1 4.34Å; V404-L422 HydrophobicContact CB-CD2 4.41Å; V404-L422 HydrophobicContact CG1-CD1 4.02Å; V404-L422 HydrophobicContact CG1-CD2 3.92Å; W405-L422 HydrophobicContact CB-CD1 3.92Å; F417-L422 HydrophobicContact CD2-CD2 4.2Å; F417-L422 HydrophobicContact CD2-CG 4.34Å; F417-L422 HydrophobicContact CE2-CD1 4.39Å; F417-L422 HydrophobicContact CE2-CD2 3.74Å; F417-L422 HydrophobicContact CE2-CG 4.16Å; F417-L422 HydrophobicContact CZ-CD2 4.47Å; E419-L422 WeakPolarHBondContact O-CB 3.4Å; E419-L422 PolarHBondContact O-N 3.03Å; L422-L425 PolarHBondContact O-N 3.47Å; L422-F426 PolarHBondContact O-N 3.41Å; L422-F426 VanDerWaalsContact O-N 3.07Å; L422-W494 HydrophobicContact CB-CH2 3.67Å; L422-W494 HydrophobicContact CB-CZ2 3.78Å; L422-W494 HydrophobicContact CD1-CZ2 4.47Å
423	V	98.4	Very high	97.9	Very high	19 Å²	19	23 Å²	23	12%	0.115	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-44.8	175	174.7	0	0	0	0	111	E419 S420 L425 F426 E427 W494 V497	E419-V423 HydrophobicContact CG-CG2 4.26Å; E419-V423 WeakPolarHBondContact O-CG2 3.31Å; E419-V423 PolarHBondContact O-N 2.84Å; S420-V423 PolarHBondContact O-N 3.37Å; V423-L425 VanDerWaalsContact C-N 3.32Å; V423-L425 PolarHBondContact O-N 3.28Å; V423-F426 WeakPolarHBondContact O-CB 3.39Å; V423-F426 PolarHBondContact O-N 3.06Å; V423-F426 VanDerWaalsContact O-N 3.11Å; V423-E427 WeakPolarHBondContact O-CG 3.25Å; V423-E427 PolarHBondContact O-N 2.97Å; V423-W494 HydrophobicContact CG2-CZ2 3.96Å; V423-V497 HydrophobicContact CG2-CG2 3.95Å
424	L	98.6	Very high	98	Very high	16 Å²	16	20.9 Å²	20.9	8%	0.084	11%	0.113	C	C	.	.	H	α-helix	trans	-58.5	-42	176.5	176.6	155.6	0	0	0	111.9	S420 F421 E427 H428 L457 W460 V461 L470	S420-L424 VanDerWaalsContact O-CB 3.23Å; S420-L424 WeakPolarHBondContact O-CB 3.38Å; S420-L424 PolarHBondContact O-N 3.44Å; F421-L424 PolarHBondContact O-N 3.01Å; L424-E427 PolarHBondContact O-N 2.73Å; L424-H428 WeakPolarHBondContact O-CB 3.46Å; L424-H428 PolarHBondContact O-CD2 3.3Å; L424-H428 PolarHBondContact O-N 3.36Å; L424-L457 HydrophobicContact CD2-CD1 4.35Å; L424-L457 HydrophobicContact CD2-CD2 4.28Å; L424-W460 HydrophobicContact CD1-CH2 3.85Å; L424-W460 HydrophobicContact CD1-CZ3 3.55Å; L424-W460 HydrophobicContact CD2-CZ3 4.49Å; L424-W460 HydrophobicContact CG-CZ3 4.28Å; L424-V461 HydrophobicContact CD2-CG2 4Å; L424-L470 HydrophobicContact CD1-CD1 4.06Å; L424-L470 HydrophobicContact CD1-CD2 3.99Å
425	L	98.8	Very high	97.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.5	-38.3	175.6	-68.8	179.6	0	0	0	112.7	F361 F397 L401 F421 L422 V423 A429 F437 L457 W458	F361-L425 HydrophobicContact CD1-CD1 3.97Å; F361-L425 HydrophobicContact CE1-CD1 3.48Å; F361-L425 VanDerWaalsContact CE1-CD1 3.48Å; F397-L425 HydrophobicContact CE1-CB 4.28Å; L401-L425 HydrophobicContact CD1-CB 3.99Å; L401-L425 HydrophobicContact CD2-CB 4.22Å; L401-L425 HydrophobicContact CD2-CD1 4.07Å; F421-L425 HydrophobicContact CD1-CD1 4.3Å; F421-L425 HydrophobicContact CE1-CD1 3.84Å; F421-L425 HydrophobicContact CZ-CD1 4.01Å; F421-L425 HydrophobicContact CZ-CG 4.44Å; F421-L425 WeakPolarHBondContact O-CG 3.27Å; F421-L425 PolarHBondContact O-N 3.43Å; F421-L425 VanDerWaalsContact O-N 3.12Å; L422-L425 PolarHBondContact O-N 3.47Å; V423-L425 VanDerWaalsContact C-N 3.32Å; V423-L425 PolarHBondContact O-N 3.28Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.19Å; L425-A429 PolarHBondContact O-N 2.62Å; L425-F437 HydrophobicContact CD2-CE2 4.39Å; L425-F437 HydrophobicContact CD2-CZ 4.2Å; L425-L457 HydrophobicContact CD2-CD2 4.16Å; L425-W458 HydrophobicContact CD2-CH2 3.53Å; L425-W458 HydrophobicContact CD2-CZ3 3.66Å
426	F	98.6	Very high	97.9	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	11%	0.11	C	C	.	.	H	α-helix	trans	-60.1	-51.2	173.4	157	-116.4	0	0	0	110.7	L76 L398 L401 L422 V423 A429 Y430 V497	L76-F426 HydrophobicContact CG-CZ 4.35Å; L398-F426 HydrophobicContact CB-CD2 4.28Å; L398-F426 HydrophobicContact CD1-CB 4.37Å; L398-F426 HydrophobicContact CD1-CD2 3.74Å; L398-F426 HydrophobicContact CD1-CE2 4.2Å; L398-F426 HydrophobicContact CD1-CG 4.03Å; L398-F426 HydrophobicContact CD2-CD2 4.22Å; L398-F426 HydrophobicContact CD2-CE2 3.91Å; L398-F426 HydrophobicContact CG-CD2 4.29Å; L398-F426 HydrophobicContact CG-CE2 4.48Å; L401-F426 HydrophobicContact CD1-CB 3.88Å; L422-F426 PolarHBondContact O-N 3.41Å; L422-F426 VanDerWaalsContact O-N 3.07Å; V423-F426 WeakPolarHBondContact O-CB 3.39Å; V423-F426 PolarHBondContact O-N 3.06Å; V423-F426 VanDerWaalsContact O-N 3.11Å; F426-A429 PolarHBondContact O-N 3.1Å; F426-Y430 AromaticContact CD2-CD2 3.73Å; F426-Y430 HydrophobicContact CD2-CD2 3.73Å; F426-Y430 AromaticContact CD2-CE2 3.71Å; F426-Y430 HydrophobicContact CD2-CE2 3.71Å; F426-Y430 AromaticContact CE2-CD2 3.57Å; F426-Y430 HydrophobicContact CE2-CD2 3.57Å; F426-Y430 AromaticContact CE2-CE2 3.48Å; F426-Y430 HydrophobicContact CE2-CE2 3.48Å; F426-Y430 VanDerWaalsContact CE2-CE2 3.48Å; F426-Y430 HydrophobicContact CE2-CG 4.49Å; F426-Y430 WeakPolarHBondContact O-CD2 3.36Å; F426-Y430 PolarHBondContact O-N 3.41Å; F426-V497 HydrophobicContact CD1-CG1 4.3Å; F426-V497 HydrophobicContact CE1-CG1 4.08Å
427	E	98.1	Very high	97.9	Very high	59 Å²	59	18.1 Å²	18.1	28%	0.276	10%	0.099	S	C	.	.	H	α-helix	trans	-61.3	-50.2	-177.8	-68.5	179.5	152.9	0	0	111.8	D75 V423 L424 A429 Y430 A431 R500	D75-E427 HydrophobicContact CB-CG 4.35Å; V423-E427 WeakPolarHBondContact O-CG 3.25Å; V423-E427 PolarHBondContact O-N 2.97Å; L424-E427 PolarHBondContact O-N 2.73Å; E427-A429 VanDerWaalsContact C-N 3.26Å; E427-A429 PolarHBondContact O-N 3.5Å; E427-Y430 PolarHBondContact O-N 3.04Å; E427-Y430 VanDerWaalsContact O-N 3.08Å; E427-A431 PolarHBondContact O-N 3.46Å; E427-A431 VanDerWaalsContact O-O 3.07Å; E427-R500 IonicContact OE1-CZ 2.83Å; E427-R500 IonicContact OE1-NH1 3.5Å; E427-R500 PolarHBondContact OE1-NH1 3.05Å; E427-R500 IonicContact OE1-NH2 3.46Å; E427-R500 PolarHBondContact OE1-NH2 3.25Å
428	H	98.5	Very high	97.8	Very high	28 Å²	28	19.1 Å²	19.1	13%	0.13	10%	0.104	C	C	.	.	H	α-helix	trans	-69.9	-18.9	-178.8	-73.8	-62.1	0	0	0	114.2	L424 S432 F434 F437 L457 W460	L424-H428 WeakPolarHBondContact O-CB 3.46Å; L424-H428 PolarHBondContact O-CD2 3.3Å; L424-H428 PolarHBondContact O-N 3.36Å; H428-S432 PolarHBondContact ND1-OG 3.06Å; H428-S432 WeakPolarHBondContact O-CB 3.21Å; H428-F434 AromaticContact CE1-CE2 3.96Å; H428-F437 HydrophobicContact CB-CD2 4.32Å; H428-F437 HydrophobicContact CB-CE2 4.37Å; H428-F437 WeakPolarHBondContact O-CD2 3.47Å; H428-L457 HydrophobicContact CB-CD1 4.45Å; H428-L457 HydrophobicContact CB-CD2 3.91Å; H428-W460 AromaticContact NE2-CZ3 3.91Å
429	A	98.2	Very high	97.7	Very high	9 Å²	9	18.8 Å²	18.8	7%	0.074	10%	0.104	C	C	.	.	H	α-helix	trans	-71.9	-30.6	171.2	0	0	0	0	0	112.4	F376 C380 F397 L425 F426 E427 F437	F376-A429 HydrophobicContact CD1-CB 4.29Å; F376-A429 HydrophobicContact CE1-CB 4.16Å; C380-A429 WeakPolarHBondContact CB-O 3.28Å; F397-A429 HydrophobicContact CD1-CB 3.79Å; F397-A429 HydrophobicContact CE1-CB 4.11Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.19Å; L425-A429 PolarHBondContact O-N 2.62Å; F426-A429 PolarHBondContact O-N 3.1Å; E427-A429 VanDerWaalsContact C-N 3.26Å; E427-A429 PolarHBondContact O-N 3.5Å; A429-F437 HydrophobicContact CB-CD1 4.42Å; A429-F437 HydrophobicContact CB-CD2 4.37Å; A429-F437 HydrophobicContact CB-CG 4.25Å
430	Y	97.1	Very high	97.5	Very high	16 Å²	16	16.5 Å²	16.5	6%	0.063	10%	0.095	C	C	.	.	H	α-helix	trans	-92.7	-40.1	-179.8	-82.2	-92.7	0	0	0	113.4	K74 C380 Q382 F426 E427	K74-Y430 HydrophobicContact CB-CD1 3.81Å; K74-Y430 HydrophobicContact CB-CG 4.19Å; K74-Y430 HydrophobicContact CD-CD1 4.09Å; K74-Y430 HydrophobicContact CG-CD1 4.33Å; C380-Y430 HydrophobicContact CB-CD1 3.87Å; C380-Y430 HydrophobicContact CB-CD2 4.46Å; C380-Y430 HydrophobicContact CB-CE1 4.04Å; C380-Y430 HydrophobicContact CB-CG 4.13Å; C380-Y430 WeakPolarHBondContact O-CD1 3.5Å; Q382-Y430 WeakPolarHBondContact O-CE1 3.35Å; F426-Y430 AromaticContact CD2-CD2 3.73Å; F426-Y430 HydrophobicContact CD2-CD2 3.73Å; F426-Y430 AromaticContact CD2-CE2 3.71Å; F426-Y430 HydrophobicContact CD2-CE2 3.71Å; F426-Y430 AromaticContact CE2-CD2 3.57Å; F426-Y430 HydrophobicContact CE2-CD2 3.57Å; F426-Y430 AromaticContact CE2-CE2 3.48Å; F426-Y430 HydrophobicContact CE2-CE2 3.48Å; F426-Y430 VanDerWaalsContact CE2-CE2 3.48Å; F426-Y430 HydrophobicContact CE2-CG 4.49Å; F426-Y430 WeakPolarHBondContact O-CD2 3.36Å; F426-Y430 PolarHBondContact O-N 3.41Å; E427-Y430 PolarHBondContact O-N 3.04Å; E427-Y430 VanDerWaalsContact O-N 3.08Å
431	A	96.2	Very high	97.4	Very high	15 Å²	15	14.1 Å²	14.1	12%	0.124	8%	0.078	C	C	.	.	S	Bend	trans	-151.2	127.1	176.9	0	0	0	0	0	110.8	L51 N54 E427	L51-A431 HydrophobicContact CD1-CB 4.42Å; N54-A431 HydrophobicContact CB-CB 3.44Å; N54-A431 VanDerWaalsContact CB-CB 3.44Å; E427-A431 PolarHBondContact O-N 3.46Å; E427-A431 VanDerWaalsContact O-O 3.07Å
432	S	96.8	Very high	97.3	Very high	14 Å²	14	14.7 Å²	14.7	10%	0.098	8%	0.082	C	C	.	.			trans	-149.8	154.1	-175.4	-168.5	0	0	0	0	112.1	P110 H428 F434	P110-S432 VanDerWaalsContact CG-O 3.27Å; P110-S432 WeakPolarHBondContact CG-O 3.3Å; H428-S432 PolarHBondContact ND1-OG 3.06Å; H428-S432 WeakPolarHBondContact O-CB 3.21Å; S432-F434 VanDerWaalsContact C-N 3.29Å; S432-F434 WeakPolarHBondContact OG-CD2 3.28Å; S432-F434 PolarHBondContact OG-N 2.69Å
433	Q	96.7	Very high	97.2	Very high	52 Å²	52	15.6 Å²	15.6	24%	0.243	9%	0.09	C	C	.	.	S	Bend	trans	-82.5	-8.2	163.8	66.5	-146.5	4.6	0	0	112.9	Y109 P110 Y113	Y109-Q433 HydrophobicContact CD1-CB 3.64Å; Y109-Q433 HydrophobicContact CE1-CB 3.56Å; P110-Q433 WeakPolarHBondContact CA-O 3.5Å; Y113-Q433 WeakPolarHBondContact CB-O 3.36Å; Y113-Q433 HydrophobicContact CD1-CB 4.18Å; Y113-Q433 HydrophobicContact CD1-CG 4.25Å; Y113-Q433 WeakPolarHBondContact CD1-O 3.44Å; Y113-Q433 HydrophobicContact CD2-CB 3.89Å; Y113-Q433 HydrophobicContact CD2-CG 4.36Å; Y113-Q433 HydrophobicContact CE1-CB 4.4Å; Y113-Q433 HydrophobicContact CE1-CG 4.01Å; Y113-Q433 HydrophobicContact CE2-CB 4.11Å; Y113-Q433 HydrophobicContact CE2-CG 4.12Å; Y113-Q433 HydrophobicContact CG-CB 3.9Å; Y113-Q433 HydrophobicContact CG-CG 4.41Å
434	F	98.3	Very high	97	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	10%	0.095	C	C	.	.	S	Bend	trans	-102.3	151.8	-179.5	-55.5	-71	0	0	0	111.8	P110 Y113 F117 H428 S432 T436 V455 L457 W460	P110-F434 WeakPolarHBondContact CG-O 3.37Å; Y113-F434 HydrophobicContact CE1-CD1 4.31Å; Y113-F434 AromaticContact CE1-CE1 3.85Å; Y113-F434 HydrophobicContact CE1-CE1 3.85Å; Y113-F434 HydrophobicContact CE1-CZ 4.49Å; F117-F434 HydrophobicContact CE1-CE1 4.23Å; F117-F434 HydrophobicContact CE1-CZ 4.46Å; F117-F434 HydrophobicContact CZ-CE1 4.18Å; H428-F434 AromaticContact CE1-CE2 3.96Å; S432-F434 VanDerWaalsContact C-N 3.29Å; S432-F434 WeakPolarHBondContact OG-CD2 3.28Å; S432-F434 PolarHBondContact OG-N 2.69Å; F434-T436 VanDerWaalsContact C-N 3.33Å; F434-T436 PolarHBondContact O-N 3.33Å; F434-V455 CarbonylContact C-O 3.52Å; F434-V455 WeakPolarHBondContact CA-O 3.37Å; F434-V455 WeakPolarHBondContact CB-O 3.4Å; F434-V455 HydrophobicContact CD1-CB 4.03Å; F434-V455 HydrophobicContact CD1-CG1 3.96Å; F434-V455 HydrophobicContact CE1-CB 4.46Å; F434-V455 HydrophobicContact CE1-CG1 4.07Å; F434-L457 HydrophobicContact CB-CB 4Å; F434-L457 HydrophobicContact CD2-CB 4.09Å; F434-L457 HydrophobicContact CD2-CD1 3.43Å; F434-L457 VanDerWaalsContact CD2-CD1 3.43Å; F434-L457 HydrophobicContact CD2-CG 4.38Å; F434-L457 HydrophobicContact CE2-CD1 3.64Å; F434-L457 HydrophobicContact CG-CB 4.09Å; F434-L457 HydrophobicContact CG-CD1 4.26Å; F434-W460 HydrophobicContact CE1-CB 3.72Å; F434-W460 HydrophobicContact CE1-CG 4.29Å; F434-W460 HydrophobicContact CE2-CB 4.15Å; F434-W460 HydrophobicContact CE2-CD2 4.11Å; F434-W460 AromaticContact CE2-CE3 4Å; F434-W460 HydrophobicContact CE2-CE3 4Å; F434-W460 HydrophobicContact CE2-CG 4.17Å; F434-W460 HydrophobicContact CZ-CB 3.35Å; F434-W460 AromaticContact CZ-CD2 3.9Å; F434-W460 HydrophobicContact CZ-CD2 3.9Å; F434-W460 HydrophobicContact CZ-CE3 4.23Å; F434-W460 AromaticContact CZ-CG 3.49Å; F434-W460 HydrophobicContact CZ-CG 3.49Å; F434-W460 VanDerWaalsContact CZ-CG 3.49Å
435	G	97.8	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	-81.8	-6.5	-179.8	0	0	0	0	0	114.8	F437 L438 T454 V455	G435-F437 VanDerWaalsContact C-N 3.32Å; G435-F437 PolarHBondContact O-N 2.87Å; G435-L438 WeakPolarHBondContact O-CB 3.27Å; G435-L438 PolarHBondContact O-N 3.02Å; G435-T454 WeakPolarHBondContact CA-OG1 3.46Å; G435-V455 PolarHBondContact N-O 3.12Å
436	T	98.4	Very high	96.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-40.2	-169.1	-62.2	0	0	0	0	113.9	L370 F434 R445 S456 L457 W458	L370-T436 HydrophobicContact CD1-CG2 3.7Å; L370-T436 VanDerWaalsContact CD2-O 3.27Å; L370-T436 WeakPolarHBondContact CD2-O 3.5Å; F434-T436 VanDerWaalsContact C-N 3.33Å; F434-T436 PolarHBondContact O-N 3.33Å; T436-R445 VanDerWaalsContact O-CZ 3.22Å; T436-R445 PolarHBondContact O-NH1 2.7Å; T436-R445 PolarHBondContact O-NH2 2.92Å; T436-S456 WeakPolarHBondContact OG1-CA 3.45Å; T436-S456 PolarHBondContact OG1-OG 3.28Å; T436-L457 HydrophobicContact CG2-CB 4.31Å; T436-L457 WeakPolarHBondContact OG1-CB 3.15Å; T436-L457 PolarHBondContact OG1-N 2.84Å; T436-W458 HydrophobicContact CG2-CZ2 3.83Å
437	F	97.9	Very high	96.7	Very high	10 Å²	10	28.6 Å²	28.6	4%	0.044	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	10.8	-179.4	-65.8	-71.4	0	0	0	114.1	V365 L370 F376 F397 L425 H428 A429 G435 L457 W458	V365-F437 HydrophobicContact CG1-CE1 3.92Å; V365-F437 HydrophobicContact CG1-CZ 4.13Å; L370-F437 HydrophobicContact CD2-CD1 3.86Å; L370-F437 HydrophobicContact CD2-CE1 4.26Å; F376-F437 WeakPolarHBondContact CB-O 3.39Å; F376-F437 HydrophobicContact CD1-CB 4.36Å; F376-F437 AromaticContact CD1-CD1 3.78Å; F376-F437 HydrophobicContact CD1-CD1 3.78Å; F376-F437 HydrophobicContact CD1-CG 4.43Å; F376-F437 HydrophobicContact CD2-CD1 4.09Å; F376-F437 AromaticContact CE1-CD1 3.49Å; F376-F437 HydrophobicContact CE1-CD1 3.49Å; F376-F437 VanDerWaalsContact CE1-CD1 3.49Å; F376-F437 AromaticContact CE1-CE1 3.85Å; F376-F437 HydrophobicContact CE1-CE1 3.85Å; F376-F437 HydrophobicContact CE1-CG 4.45Å; F376-F437 AromaticContact CE2-CD1 3.83Å; F376-F437 HydrophobicContact CE2-CD1 3.83Å; F376-F437 HydrophobicContact CE2-CE1 4.2Å; F376-F437 HydrophobicContact CG-CB 4.4Å; F376-F437 HydrophobicContact CG-CD1 4.08Å; F376-F437 AromaticContact CZ-CD1 3.52Å; F376-F437 HydrophobicContact CZ-CD1 3.52Å; F376-F437 AromaticContact CZ-CE1 3.64Å; F376-F437 HydrophobicContact CZ-CE1 3.64Å; F397-F437 HydrophobicContact CE1-CE1 4.07Å; F397-F437 HydrophobicContact CE1-CZ 4.14Å; F397-F437 HydrophobicContact CZ-CE1 4.09Å; F397-F437 HydrophobicContact CZ-CZ 4.24Å; L425-F437 HydrophobicContact CD2-CE2 4.39Å; L425-F437 HydrophobicContact CD2-CZ 4.2Å; H428-F437 HydrophobicContact CB-CD2 4.32Å; H428-F437 HydrophobicContact CB-CE2 4.37Å; H428-F437 WeakPolarHBondContact O-CD2 3.47Å; A429-F437 HydrophobicContact CB-CD1 4.42Å; A429-F437 HydrophobicContact CB-CD2 4.37Å; A429-F437 HydrophobicContact CB-CG 4.25Å; G435-F437 VanDerWaalsContact C-N 3.32Å; G435-F437 PolarHBondContact O-N 2.87Å; F437-L457 HydrophobicContact CD2-CD2 4.48Å; F437-L457 HydrophobicContact CE2-CD2 3.77Å; F437-W458 HydrophobicContact CZ-CH2 4.35Å
438	L	96.3	Very high	96.7	Very high	20 Å²	20	27.2 Å²	27.2	11%	0.105	14%	0.144	C	C	.	.			trans	-77.9	149.6	177.3	-67.2	-170.8	0	0	0	113.3	V105 M108 P110 F111 G435 R445 L450	V105-L438 HydrophobicContact CG1-CB 4.37Å; V105-L438 HydrophobicContact CG1-CD1 4.17Å; M108-L438 HydrophobicContact SD-CD2 3.97Å; P110-L438 HydrophobicContact CB-CD1 3.79Å; P110-L438 HydrophobicContact CG-CD1 3.81Å; P110-L438 HydrophobicContact CG-CG 4.35Å; F111-L438 HydrophobicContact CD2-CD1 4.37Å; F111-L438 HydrophobicContact CE2-CD1 3.75Å; G435-L438 WeakPolarHBondContact O-CB 3.27Å; G435-L438 PolarHBondContact O-N 3.02Å; L438-R445 WeakPolarHBondContact O-CG 3.48Å; L438-R445 PolarHBondContact O-NH1 2.94Å; L438-L450 HydrophobicContact CB-CD1 4.05Å; L438-L450 HydrophobicContact CB-CD2 4.22Å; L438-L450 HydrophobicContact CD1-CD2 4.25Å
439	G	94.8	Very high	96.6	Very high	5 Å²	5	27.8 Å²	27.8	5%	0.052	15%	0.151	C	C	.	.	S	Bend	trans	85.4	172.5	178.5	0	0	0	0	0	114	Q377	Q377-G439 WeakPolarHBondContact CB-O 3.16Å; Q377-G439 PolarHBondContact N-O 3.09Å; Q377-G439 VanDerWaalsContact N-O 3.14Å
440	S	93.9	Very high	96.6	Very high	15 Å²	15	27.4 Å²	27.4	11%	0.105	15%	0.148	C	C	.	.	S	Bend	trans	-108.5	-15.4	-177.3	-63.3	0	0	0	0	113.8	P375 Q378	P375-S440 VanDerWaalsContact CA-O 3.31Å; P375-S440 WeakPolarHBondContact CA-O 3.23Å; Q378-S440 PolarHBondContact NE2-OG 3Å
441	C	95.2	Very high	96.5	Very high	15 Å²	15	29.7 Å²	29.7	10%	0.101	17%	0.165	C	C	.	.	S	Bend	trans	-164	172.2	-178.7	73.1	0	0	0	0	113.2	A443 D444 R445	C441-A443 PolarHBondContact O-N 3.16Å; C441-D444 PolarHBondContact O-N 3.03Å; C441-D444 VanDerWaalsContact SG-CG 3.55Å; C441-D444 PolarHBondContact SG-N 3.3Å; C441-D444 PolarHBondContact SG-OD2 3.25Å; C441-R445 VanDerWaalsContact O-CG 3.24Å; C441-R445 WeakPolarHBondContact O-CG 3.4Å; C441-R445 PolarHBondContact O-N 2.92Å
442	A	94.9	Very high	96.5	Very high	12 Å²	12	36 Å²	36	10%	0.099	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-42.3	-179.2	0	0	0	0	0	113.2	F152 Y158 D444 R445 A446	F152-A442 HydrophobicContact CD1-CB 4.47Å; F152-A442 HydrophobicContact CE1-CB 3.76Å; Y158-A442 WeakPolarHBondContact O-CB 3.46Å; A442-D444 PolarHBondContact O-N 3.29Å; A442-R445 PolarHBondContact O-N 3.05Å; A442-A446 WeakPolarHBondContact O-CB 3.28Å; A442-A446 PolarHBondContact O-N 2.63Å
443	A	97.1	Very high	96.5	Very high	20 Å²	20	41 Å²	41	17%	0.165	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-40.9	176.5	0	0	0	0	0	112.6	F152 S156 C441 A446 R447	F152-A443 HydrophobicContact CB-CB 3.8Å; F152-A443 HydrophobicContact CD1-CB 3.82Å; F152-A443 HydrophobicContact CD2-CB 4.17Å; F152-A443 HydrophobicContact CE1-CB 4.42Å; F152-A443 HydrophobicContact CG-CB 3.66Å; S156-A443 WeakPolarHBondContact O-CB 3.31Å; S156-A443 PolarHBondContact O-N 2.85Å; C441-A443 PolarHBondContact O-N 3.16Å; A443-A446 PolarHBondContact O-N 3.09Å; A443-R447 WeakPolarHBondContact O-CB 3.36Å; A443-R447 PolarHBondContact O-N 3.34Å
444	D	95.4	Very high	96.6	Very high	41 Å²	41	39 Å²	39	22%	0.219	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-44.7	176.8	-74	-37.6	0	0	0	111.6	C441 A442 A446 R447 L448	C441-D444 PolarHBondContact O-N 3.03Å; C441-D444 VanDerWaalsContact SG-CG 3.55Å; C441-D444 PolarHBondContact SG-N 3.3Å; C441-D444 PolarHBondContact SG-OD2 3.25Å; A442-D444 PolarHBondContact O-N 3.29Å; D444-A446 VanDerWaalsContact C-N 3.33Å; D444-A446 PolarHBondContact O-N 3.31Å; D444-R447 PolarHBondContact O-N 3.45Å; D444-R447 IonicContact OD1-CZ 2.98Å; D444-R447 IonicContact OD1-NE 3.17Å; D444-R447 IonicContact OD1-NH2 2.78Å; D444-R447 PolarHBondContact OD1-NH2 2.68Å; D444-L448 WeakPolarHBondContact O-CB 3.46Å; D444-L448 VanDerWaalsContact O-CG 3.3Å; D444-L448 WeakPolarHBondContact O-CG 3.27Å; D444-L448 PolarHBondContact O-N 2.94Å
445	R	96.7	Very high	96.6	Very high	28 Å²	28	40.1 Å²	40.1	11%	0.106	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-40.6	179	-66.8	169	71.2	90.5	-12.2	111.8	T436 L438 C441 A442 L448 S449 L450	T436-R445 VanDerWaalsContact O-CZ 3.22Å; T436-R445 PolarHBondContact O-NH1 2.7Å; T436-R445 PolarHBondContact O-NH2 2.92Å; L438-R445 WeakPolarHBondContact O-CG 3.48Å; L438-R445 PolarHBondContact O-NH1 2.94Å; C441-R445 VanDerWaalsContact O-CG 3.24Å; C441-R445 WeakPolarHBondContact O-CG 3.4Å; C441-R445 PolarHBondContact O-N 2.92Å; A442-R445 PolarHBondContact O-N 3.05Å; R445-L448 PolarHBondContact O-N 3.04Å; R445-S449 PolarHBondContact O-N 3.47Å; R445-L450 HydrophobicContact CB-CD1 3.84Å; R445-L450 HydrophobicContact CG-CD1 3.72Å; R445-L450 PolarHBondContact O-N 3.31Å
446	A	96.4	Very high	96.6	Very high	50 Å²	50	40.1 Å²	40.1	41%	0.413	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-44.9	174.4	0	0	0	0	0	111.9	F152 A442 A443 D444 L448 S449	F152-A446 HydrophobicContact CE2-CB 3.65Å; F152-A446 HydrophobicContact CZ-CB 3.76Å; A442-A446 WeakPolarHBondContact O-CB 3.28Å; A442-A446 PolarHBondContact O-N 2.63Å; A443-A446 PolarHBondContact O-N 3.09Å; D444-A446 VanDerWaalsContact C-N 3.33Å; D444-A446 PolarHBondContact O-N 3.31Å; A446-L448 VanDerWaalsContact C-N 3.27Å; A446-L448 PolarHBondContact O-N 3.2Å; A446-S449 PolarHBondContact O-N 2.83Å
447	R	96.9	Very high	96.6	Very high	189 Å²	189	40 Å²	40	71%	0.713	21%	0.209	S	C	*	.	H	α-helix	trans	-60.9	-35.3	176.4	177.4	174.5	59	142.7	-4.8	112.7	A443 D444 S449	A443-R447 WeakPolarHBondContact O-CB 3.36Å; A443-R447 PolarHBondContact O-N 3.34Å; D444-R447 PolarHBondContact O-N 3.45Å; D444-R447 IonicContact OD1-CZ 2.98Å; D444-R447 IonicContact OD1-NE 3.17Å; D444-R447 IonicContact OD1-NH2 2.78Å; D444-R447 PolarHBondContact OD1-NH2 2.68Å; R447-S449 VanDerWaalsContact C-N 3.26Å
448	L	96.6	Very high	96.6	Very high	31 Å²	31	39.6 Å²	39.6	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-75.6	-14.3	176.6	-71.8	169.7	0	0	0	113	V105 F111 D444 R445 A446 L450	V105-L448 HydrophobicContact CB-CD1 4.37Å; V105-L448 HydrophobicContact CB-CD2 4.48Å; V105-L448 HydrophobicContact CG1-CD1 3.78Å; V105-L448 HydrophobicContact CG1-CD2 4.47Å; F111-L448 HydrophobicContact CZ-CB 4.26Å; F111-L448 HydrophobicContact CZ-CD2 4.22Å; D444-L448 WeakPolarHBondContact O-CB 3.46Å; D444-L448 VanDerWaalsContact O-CG 3.3Å; D444-L448 WeakPolarHBondContact O-CG 3.27Å; D444-L448 PolarHBondContact O-N 2.94Å; R445-L448 PolarHBondContact O-N 3.04Å; A446-L448 VanDerWaalsContact C-N 3.27Å; A446-L448 PolarHBondContact O-N 3.2Å; L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 HydrophobicContact CB-CD2 3.83Å; L448-L450 HydrophobicContact CB-CG 3.95Å; L448-L450 HydrophobicContact CD1-CD2 4.28Å; L448-L450 PolarHBondContact O-N 3.18Å
449	S	97.4	Very high	96.6	Very high	39 Å²	39	38.8 Å²	38.8	27%	0.273	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	47.8	-173.9	-48.2	0	0	0	0	111.5	R445 A446 R447 E452 K453	R445-S449 PolarHBondContact O-N 3.47Å; A446-S449 PolarHBondContact O-N 2.83Å; R447-S449 VanDerWaalsContact C-N 3.26Å; S449-E452 VanDerWaalsContact CA-OE2 3.23Å; S449-E452 WeakPolarHBondContact CA-OE2 3.03Å; S449-E452 VanDerWaalsContact CB-OE2 3.29Å; S449-E452 WeakPolarHBondContact CB-OE2 3.44Å; S449-E452 PolarHBondContact O-N 3.16Å; S449-K453 VanDerWaalsContact O-CB 3.31Å; S449-K453 WeakPolarHBondContact O-CB 3.4Å; S449-K453 WeakPolarHBondContact O-CG 3.47Å; S449-K453 PolarHBondContact O-N 2.81Å
450	L	97.3	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-44.3	-176	-63.3	179.1	0	0	0	113	F111 W124 L438 R445 L448 E452 K453 T454	F111-L450 HydrophobicContact CE1-CD2 4.21Å; F111-L450 HydrophobicContact CE2-CD2 4.23Å; F111-L450 HydrophobicContact CZ-CD2 3.55Å; W124-L450 HydrophobicContact CH2-CB 3.78Å; W124-L450 HydrophobicContact CH2-CD1 4.4Å; W124-L450 HydrophobicContact CZ2-CB 4.04Å; W124-L450 HydrophobicContact CZ3-CB 4.43Å; L438-L450 HydrophobicContact CB-CD1 4.05Å; L438-L450 HydrophobicContact CB-CD2 4.22Å; L438-L450 HydrophobicContact CD1-CD2 4.25Å; R445-L450 HydrophobicContact CB-CD1 3.84Å; R445-L450 HydrophobicContact CG-CD1 3.72Å; R445-L450 PolarHBondContact O-N 3.31Å; L448-L450 VanDerWaalsContact C-N 3.31Å; L448-L450 HydrophobicContact CB-CD2 3.83Å; L448-L450 HydrophobicContact CB-CG 3.95Å; L448-L450 HydrophobicContact CD1-CD2 4.28Å; L448-L450 PolarHBondContact O-N 3.18Å; L450-E452 PolarHBondContact O-N 3.39Å; L450-K453 PolarHBondContact O-N 2.91Å; L450-T454 HydrophobicContact CD2-CG2 4.11Å; L450-T454 PolarHBondContact O-N 3.05Å; L450-T454 PolarHBondContact O-OG1 3.01Å
451	P	96.1	Very high	96.9	Very high	65 Å²	65	39.7 Å²	39.7	42%	0.422	20%	0.203	S	C	.	.	H	α-helix	trans	-58.4	-35.6	177.8	-25.9	36.9	0	0	0	113.7	W124	W124-P451 HydrophobicContact CB-CB 4.1Å; W124-P451 HydrophobicContact CD2-CB 4.09Å; W124-P451 HydrophobicContact CD2-CG 4.12Å; W124-P451 HydrophobicContact CE3-CG 4.05Å; W124-P451 HydrophobicContact CG-CB 3.9Å; W124-P451 HydrophobicContact CG-CG 4.38Å
452	E	96.1	Very high	96.9	Very high	146 Å²	146	39.8 Å²	39.8	68%	0.682	20%	0.203	S	C	*	.	H	α-helix	trans	-86.5	-24.8	-177.2	-58	80.4	-176	0	0	113.2	S449 L450	S449-E452 VanDerWaalsContact CA-OE2 3.23Å; S449-E452 WeakPolarHBondContact CA-OE2 3.03Å; S449-E452 VanDerWaalsContact CB-OE2 3.29Å; S449-E452 WeakPolarHBondContact CB-OE2 3.44Å; S449-E452 PolarHBondContact O-N 3.16Å; L450-E452 PolarHBondContact O-N 3.39Å
453	K	97.4	Very high	96.9	Very high	119 Å²	119	41.1 Å²	41.1	52%	0.517	21%	0.205	S	C	.	.	H	α-helix	trans	-110.9	-9.3	-171.3	-64.7	-175.2	-176	165.4	0	114.8	F111 S449 L450	F111-K453 HydrophobicContact CD1-CB 3.86Å; F111-K453 HydrophobicContact CD1-CD 4.21Å; F111-K453 HydrophobicContact CE1-CB 3.99Å; F111-K453 HydrophobicContact CE1-CD 4.11Å; S449-K453 VanDerWaalsContact O-CB 3.31Å; S449-K453 WeakPolarHBondContact O-CB 3.4Å; S449-K453 WeakPolarHBondContact O-CG 3.47Å; S449-K453 PolarHBondContact O-N 2.81Å; L450-K453 PolarHBondContact O-N 2.91Å
454	T	97.8	Very high	96.8	Very high	12 Å²	12	44.6 Å²	44.6	7%	0.074	23%	0.226	C	C	.	.	S	Bend	trans	-142	163	-175.1	70.5	0	0	0	0	111.1	P110 F111 W124 G435 L450	P110-T454 HydrophobicContact CB-CG2 4.04Å; P110-T454 WeakPolarHBondContact O-CG2 3.24Å; F111-T454 HydrophobicContact CD1-CG2 3.97Å; F111-T454 HydrophobicContact CD2-CG2 4.32Å; F111-T454 HydrophobicContact CE1-CG2 4.04Å; F111-T454 HydrophobicContact CE2-CG2 4.37Å; F111-T454 HydrophobicContact CG-CG2 4.12Å; F111-T454 HydrophobicContact CZ-CG2 4.24Å; W124-T454 VanDerWaalsContact CZ2-OG1 3.3Å; W124-T454 WeakPolarHBondContact CZ2-OG1 3.48Å; W124-T454 PolarHBondContact NE1-O 3.1Å; G435-T454 WeakPolarHBondContact CA-OG1 3.46Å; L450-T454 HydrophobicContact CD2-CG2 4.11Å; L450-T454 PolarHBondContact O-N 3.05Å; L450-T454 PolarHBondContact O-OG1 3.01Å
455	V	97.6	Very high	96.7	Very high	23 Å²	23	48.8 Å²	48.8	14%	0.139	24%	0.244	C	C	.	.			trans	-93.7	141.3	175.7	-175.5	0	0	0	0	109.9	Y113 P115 F117 F434 G435	Y113-V455 HydrophobicContact CD1-CB 4.4Å; Y113-V455 HydrophobicContact CD1-CG2 4.25Å; P115-V455 HydrophobicContact CB-CG2 4.41Å; P115-V455 HydrophobicContact CG-CG2 3.87Å; F117-V455 HydrophobicContact CZ-CG1 4.22Å; F434-V455 CarbonylContact C-O 3.52Å; F434-V455 WeakPolarHBondContact CA-O 3.37Å; F434-V455 WeakPolarHBondContact CB-O 3.4Å; F434-V455 HydrophobicContact CD1-CB 4.03Å; F434-V455 HydrophobicContact CD1-CG1 3.96Å; F434-V455 HydrophobicContact CE1-CB 4.46Å; F434-V455 HydrophobicContact CE1-CG1 4.07Å; G435-V455 PolarHBondContact N-O 3.12Å
456	S	98.1	Very high	96.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.			trans	-76.4	140.1	172.4	-179.4	0	0	0	0	110.9	T436 W458 S459	T436-S456 WeakPolarHBondContact OG1-CA 3.45Å; T436-S456 PolarHBondContact OG1-OG 3.28Å; S456-W458 PolarHBondContact O-N 3.32Å; S456-W458 PolarHBondContact OG-N 2.88Å; S456-S459 WeakPolarHBondContact O-CB 3.26Å; S456-S459 PolarHBondContact O-N 2.85Å
457	L	98.3	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.7	-38.1	170.1	176	62.9	0	0	0	111	L424 L425 H428 F434 T436 F437 S459 W460 V461	L424-L457 HydrophobicContact CD2-CD1 4.35Å; L424-L457 HydrophobicContact CD2-CD2 4.28Å; L425-L457 HydrophobicContact CD2-CD2 4.16Å; H428-L457 HydrophobicContact CB-CD1 4.45Å; H428-L457 HydrophobicContact CB-CD2 3.91Å; F434-L457 HydrophobicContact CB-CB 4Å; F434-L457 HydrophobicContact CD2-CB 4.09Å; F434-L457 HydrophobicContact CD2-CD1 3.43Å; F434-L457 VanDerWaalsContact CD2-CD1 3.43Å; F434-L457 HydrophobicContact CD2-CG 4.38Å; F434-L457 HydrophobicContact CE2-CD1 3.64Å; F434-L457 HydrophobicContact CG-CB 4.09Å; F434-L457 HydrophobicContact CG-CD1 4.26Å; T436-L457 HydrophobicContact CG2-CB 4.31Å; T436-L457 WeakPolarHBondContact OG1-CB 3.15Å; T436-L457 PolarHBondContact OG1-N 2.84Å; F437-L457 HydrophobicContact CD2-CD2 4.48Å; F437-L457 HydrophobicContact CE2-CD2 3.77Å; L457-S459 VanDerWaalsContact C-N 3.27Å; L457-S459 PolarHBondContact O-N 2.81Å; L457-W460 HydrophobicContact CD1-CE3 3.81Å; L457-W460 HydrophobicContact CD1-CZ3 4.23Å; L457-W460 PolarHBondContact O-N 3.05Å; L457-V461 HydrophobicContact CD1-CG2 3.79Å; L457-V461 HydrophobicContact CG-CG2 3.82Å; L457-V461 WeakPolarHBondContact O-CG2 3.21Å; L457-V461 PolarHBondContact O-N 2.83Å
458	W	98	Very high	96.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-29.5	-177.8	-41.9	132.5	0	0	0	112.8	F127 Q362 V365 E366 L425 T436 F437 S456 W460 V461 N462	F127-W458 AromaticContact CD2-CD1 3.83Å; F127-W458 HydrophobicContact CD2-CG 4.46Å; F127-W458 HydrophobicContact CE2-CB 4.22Å; F127-W458 AromaticContact CE2-CD1 3.75Å; F127-W458 AromaticContact CE2-CG 3.94Å; F127-W458 HydrophobicContact CE2-CG 3.94Å; Q362-W458 HydrophobicContact CB-CD2 4.33Å; Q362-W458 HydrophobicContact CB-CE3 4.36Å; Q362-W458 HydrophobicContact CG-CD2 4.08Å; Q362-W458 HydrophobicContact CG-CE3 3.64Å; Q362-W458 HydrophobicContact CG-CH2 4.27Å; Q362-W458 HydrophobicContact CG-CZ3 3.76Å; V365-W458 HydrophobicContact CB-CZ2 4.48Å; V365-W458 HydrophobicContact CG1-CH2 4.43Å; V365-W458 HydrophobicContact CG1-CZ2 4.17Å; E366-W458 PolarHBondContact OE1-NE1 2.99Å; L425-W458 HydrophobicContact CD2-CH2 3.53Å; L425-W458 HydrophobicContact CD2-CZ3 3.66Å; T436-W458 HydrophobicContact CG2-CZ2 3.83Å; F437-W458 HydrophobicContact CZ-CH2 4.35Å; S456-W458 PolarHBondContact O-N 3.32Å; S456-W458 PolarHBondContact OG-N 2.88Å; W458-W460 PolarHBondContact O-N 2.89Å; W458-V461 HydrophobicContact CE3-CG2 4.49Å; W458-N462 VanDerWaalsContact O-CB 3.28Å; W458-N462 WeakPolarHBondContact O-CB 3.36Å; W458-N462 PolarHBondContact O-N 3.38Å; W458-N462 PolarHBondContact O-ND2 3.22Å
459	S	97.5	Very high	96.2	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-30.4	172.5	-68.8	0	0	0	0	112.8	E121 G123 S456 L457	E121-S459 WeakPolarHBondContact O-CA 3.43Å; E121-S459 WeakPolarHBondContact O-CB 3.47Å; E121-S459 PolarHBondContact O-OG 2.99Å; G123-S459 PolarHBondContact N-OG 2.77Å; S456-S459 WeakPolarHBondContact O-CB 3.26Å; S456-S459 PolarHBondContact O-N 2.85Å; L457-S459 VanDerWaalsContact C-N 3.27Å; L457-S459 PolarHBondContact O-N 2.81Å
460	W	97.2	Very high	96.1	Very high	40 Å²	40	50 Å²	50	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-88.8	-47.3	178.6	174.6	76.1	0	0	0	111.9	F117 L424 H428 F434 L457 W458 N462 R463 E466	F117-W460 AromaticContact CD1-CD1 3.92Å; F117-W460 HydrophobicContact CE1-CB 4.06Å; F117-W460 AromaticContact CE1-CD1 3.65Å; F117-W460 HydrophobicContact CE1-CG 4.19Å; F117-W460 HydrophobicContact CE2-CB 4.27Å; F117-W460 HydrophobicContact CZ-CB 3.65Å; F117-W460 HydrophobicContact CZ-CG 4.25Å; L424-W460 HydrophobicContact CD1-CH2 3.85Å; L424-W460 HydrophobicContact CD1-CZ3 3.55Å; L424-W460 HydrophobicContact CD2-CZ3 4.49Å; L424-W460 HydrophobicContact CG-CZ3 4.28Å; H428-W460 AromaticContact NE2-CZ3 3.91Å; F434-W460 HydrophobicContact CE1-CB 3.72Å; F434-W460 HydrophobicContact CE1-CG 4.29Å; F434-W460 HydrophobicContact CE2-CB 4.15Å; F434-W460 HydrophobicContact CE2-CD2 4.11Å; F434-W460 AromaticContact CE2-CE3 4Å; F434-W460 HydrophobicContact CE2-CE3 4Å; F434-W460 HydrophobicContact CE2-CG 4.17Å; F434-W460 HydrophobicContact CZ-CB 3.35Å; F434-W460 AromaticContact CZ-CD2 3.9Å; F434-W460 HydrophobicContact CZ-CD2 3.9Å; F434-W460 HydrophobicContact CZ-CE3 4.23Å; F434-W460 AromaticContact CZ-CG 3.49Å; F434-W460 HydrophobicContact CZ-CG 3.49Å; F434-W460 VanDerWaalsContact CZ-CG 3.49Å; L457-W460 HydrophobicContact CD1-CE3 3.81Å; L457-W460 HydrophobicContact CD1-CZ3 4.23Å; L457-W460 PolarHBondContact O-N 3.05Å; W458-W460 PolarHBondContact O-N 2.89Å; W460-N462 VanDerWaalsContact C-N 3.29Å; W460-N462 PolarHBondContact O-N 2.9Å; W460-R463 VanDerWaalsContact CD1-NH2 3.27Å; W460-R463 WeakPolarHBondContact O-CB 3.42Å; W460-R463 VanDerWaalsContact O-CG 3.26Å; W460-R463 WeakPolarHBondContact O-CG 3.47Å; W460-R463 PolarHBondContact O-N 2.69Å; W460-R463 PolarHBondContact O-NE 3.29Å; W460-E466 HydrophobicContact CD2-CG 4.34Å; W460-E466 HydrophobicContact CZ2-CG 3.95Å; W460-E466 VanDerWaalsContact CZ2-OE2 3.23Å; W460-E466 WeakPolarHBondContact CZ2-OE2 3.37Å; W460-E466 PolarHBondContact NE1-OE1 3.17Å; W460-E466 WeakPolarHBondContact O-CG 3.32Å
461	V	96.9	Very high	96.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-37.2	-178.8	170.3	0	0	0	0	112.2	F421 L424 L457 W458 R463 L467 L470	F421-V461 HydrophobicContact CE2-CG1 4.07Å; L424-V461 HydrophobicContact CD2-CG2 4Å; L457-V461 HydrophobicContact CD1-CG2 3.79Å; L457-V461 HydrophobicContact CG-CG2 3.82Å; L457-V461 WeakPolarHBondContact O-CG2 3.21Å; L457-V461 PolarHBondContact O-N 2.83Å; W458-V461 HydrophobicContact CE3-CG2 4.49Å; V461-R463 PolarHBondContact O-N 3.48Å; V461-L467 WeakPolarHBondContact O-CD2 3.49Å; V461-L467 WeakPolarHBondContact O-CG 3.28Å; V461-L470 HydrophobicContact CG1-CD1 3.88Å
462	N	96.2	Very high	96.1	Very high	17 Å²	17	49.9 Å²	49.9	9%	0.091	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	8.3	-175.4	-67.8	-20.8	0	0	0	113.9	Q362 W458 W460 L467	Q362-N462 PolarHBondContact NE2-OD1 2.97Å; Q362-N462 PolarHBondContact OE1-ND2 3.06Å; Q362-N462 VanDerWaalsContact OE1-ND2 3.11Å; Q362-N462 PolarHBondContact OE1-OD1 2.86Å; W458-N462 VanDerWaalsContact O-CB 3.28Å; W458-N462 WeakPolarHBondContact O-CB 3.36Å; W458-N462 PolarHBondContact O-N 3.38Å; W458-N462 PolarHBondContact O-ND2 3.22Å; W460-N462 VanDerWaalsContact C-N 3.29Å; W460-N462 PolarHBondContact O-N 2.9Å; N462-L467 WeakPolarHBondContact O-CD1 3.37Å
463	R	95.1	Very high	95.9	Very high	39 Å²	39	44.5 Å²	44.5	15%	0.147	22%	0.222	C	C	.	.	S	Bend	trans	-73.6	142.1	172.6	-63	-176.1	-52	147.8	7	109.8	W460 V461 Q465 E466 L467	W460-R463 VanDerWaalsContact CD1-NH2 3.27Å; W460-R463 WeakPolarHBondContact O-CB 3.42Å; W460-R463 VanDerWaalsContact O-CG 3.26Å; W460-R463 WeakPolarHBondContact O-CG 3.47Å; W460-R463 PolarHBondContact O-N 2.69Å; W460-R463 PolarHBondContact O-NE 3.29Å; V461-R463 PolarHBondContact O-N 3.48Å; R463-Q465 VanDerWaalsContact C-N 3.28Å; R463-Q465 PolarHBondContact O-N 3.09Å; R463-Q465 VanDerWaalsContact O-N 3.16Å; R463-E466 HydrophobicContact CB-CG 4.32Å; R463-E466 IonicContact CZ-OE1 3.72Å; R463-E466 IonicContact NH2-OE1 3.05Å; R463-E466 PolarHBondContact NH2-OE1 3.25Å; R463-E466 PolarHBondContact O-N 2.91Å; R463-L467 WeakPolarHBondContact O-CG 3.1Å; R463-L467 PolarHBondContact O-N 3.18Å
464	P	94.3	Very high	95.7	Very high	93 Å²	93	41.6 Å²	41.6	60%	0.604	21%	0.212	S	C	*	.	H	α-helix	trans	-52.7	-41.9	-176.2	-29.4	35.5	0	0	0	114.6	E466 L467 E468	P464-E466 PolarHBondContact O-N 3.45Å; P464-L467 PolarHBondContact O-N 3.41Å; P464-E468 PolarHBondContact O-N 2.95Å
465	Q	92.8	Very high	95.6	Very high	129 Å²	129	44.2 Å²	44.2	60%	0.603	22%	0.221	S	C	*	.	H	α-helix	trans	-62.7	-40.8	179.2	-67.2	170.7	-9.5	0	0	112.4	R463 H469	R463-Q465 VanDerWaalsContact C-N 3.28Å; R463-Q465 PolarHBondContact O-N 3.09Å; R463-Q465 VanDerWaalsContact O-N 3.16Å; Q465-H469 PolarHBondContact O-CD2 3.24Å
466	E	94.8	Very high	95.5	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-74.1	-41.8	178.4	-56.3	-55.8	158.1	0	0	110.6	W460 R463 P464 E468 H469 L470	W460-E466 HydrophobicContact CD2-CG 4.34Å; W460-E466 HydrophobicContact CZ2-CG 3.95Å; W460-E466 VanDerWaalsContact CZ2-OE2 3.23Å; W460-E466 WeakPolarHBondContact CZ2-OE2 3.37Å; W460-E466 PolarHBondContact NE1-OE1 3.17Å; W460-E466 WeakPolarHBondContact O-CG 3.32Å; R463-E466 HydrophobicContact CB-CG 4.32Å; R463-E466 IonicContact CZ-OE1 3.72Å; R463-E466 IonicContact NH2-OE1 3.05Å; R463-E466 PolarHBondContact NH2-OE1 3.25Å; R463-E466 PolarHBondContact O-N 2.91Å; P464-E466 PolarHBondContact O-N 3.45Å; E466-E468 PolarHBondContact O-N 2.61Å; E466-H469 PolarHBondContact O-N 3.23Å; E466-H469 VanDerWaalsContact O-N 3.15Å; E466-L470 HydrophobicContact CB-CD1 4.46Å; E466-L470 WeakPolarHBondContact O-CD1 3.46Å; E466-L470 WeakPolarHBondContact O-CG 3.4Å; E466-L470 PolarHBondContact O-N 3.19Å
467	L	95.3	Very high	95.3	Very high	43 Å²	43	54 Å²	54	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-59.5	-35.9	178.4	-70.7	177.3	0	0	0	112.4	I358 V461 N462 R463 P464 H469 L470 T471	I358-L467 HydrophobicContact CD1-CD2 3.98Å; I358-L467 HydrophobicContact CG2-CD2 3.91Å; V461-L467 WeakPolarHBondContact O-CD2 3.49Å; V461-L467 WeakPolarHBondContact O-CG 3.28Å; N462-L467 WeakPolarHBondContact O-CD1 3.37Å; R463-L467 WeakPolarHBondContact O-CG 3.1Å; R463-L467 PolarHBondContact O-N 3.18Å; P464-L467 PolarHBondContact O-N 3.41Å; L467-H469 VanDerWaalsContact C-N 3.3Å; L467-H469 PolarHBondContact O-N 3.38Å; L467-L470 PolarHBondContact O-N 2.77Å; L467-L470 VanDerWaalsContact O-N 3.16Å; L467-T471 VanDerWaalsContact O-CB 3.31Å; L467-T471 WeakPolarHBondContact O-CB 3.41Å; L467-T471 PolarHBondContact O-N 3.33Å; L467-T471 PolarHBondContact O-OG1 3.38Å
468	E	92.7	Very high	95.1	Very high	145 Å²	145	55.9 Å²	55.9	68%	0.678	29%	0.29	S	S	*	.	H	α-helix	trans	-56.5	-44.2	176.2	-172	174.2	175.8	0	0	111.8	P464 E466 L470	P464-E468 PolarHBondContact O-N 2.95Å; E466-E468 PolarHBondContact O-N 2.61Å; E468-L470 VanDerWaalsContact C-N 3.33Å; E468-L470 PolarHBondContact O-N 3.39Å
469	H	92.6	Very high	95	Very high	128 Å²	128	60 Å²	60	59%	0.593	32%	0.32	S	S	*	.	H	α-helix	trans	-75.2	-19.9	178.9	-61.5	-52	0	0	0	114.3	N418 Q465 E466 L467	N418-H469 PolarHBondContact ND2-O 3.41Å; Q465-H469 PolarHBondContact O-CD2 3.24Å; E466-H469 PolarHBondContact O-N 3.23Å; E466-H469 VanDerWaalsContact O-N 3.15Å; L467-H469 VanDerWaalsContact C-N 3.3Å; L467-H469 PolarHBondContact O-N 3.38Å
470	L	96.5	Very high	95	Very high	7 Å²	7	65.2 Å²	65.2	4%	0.037	35%	0.347	C	S	.	.	H	α-helix	trans	-102.1	-12.7	-174.6	-59.8	172.8	0	0	0	112.7	F417 N418 F421 L424 V461 E466 L467 E468	F417-L470 CarbonylContact C-O 3.55Å; F417-L470 VanDerWaalsContact CA-O 3.29Å; F417-L470 WeakPolarHBondContact CA-O 3.43Å; N418-L470 VanDerWaalsContact CG-O 3.32Å; N418-L470 PolarHBondContact N-O 2.85Å; N418-L470 PolarHBondContact OD1-O 3.45Å; F421-L470 HydrophobicContact CB-CB 4.33Å; F421-L470 HydrophobicContact CB-CD2 4.16Å; F421-L470 HydrophobicContact CD2-CD1 4.22Å; L424-L470 HydrophobicContact CD1-CD1 4.06Å; L424-L470 HydrophobicContact CD1-CD2 3.99Å; V461-L470 HydrophobicContact CG1-CD1 3.88Å; E466-L470 HydrophobicContact CB-CD1 4.46Å; E466-L470 WeakPolarHBondContact O-CD1 3.46Å; E466-L470 WeakPolarHBondContact O-CG 3.4Å; E466-L470 PolarHBondContact O-N 3.19Å; L467-L470 PolarHBondContact O-N 2.77Å; L467-L470 VanDerWaalsContact O-N 3.16Å; E468-L470 VanDerWaalsContact C-N 3.33Å; E468-L470 PolarHBondContact O-N 3.39Å
471	T	96.8	Very high	95	Very high	50 Å²	50	64.3 Å²	64.3	31%	0.307	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-80.9	136.9	180	-59.7	0	0	0	0	110.5	E416 N418 L467 P473	E416-T471 CarbonylContact O-C 3.52Å; E416-T471 WeakPolarHBondContact O-CA 3.18Å; N418-T471 PolarHBondContact ND2-O 3.38Å; L467-T471 VanDerWaalsContact O-CB 3.31Å; L467-T471 WeakPolarHBondContact O-CB 3.41Å; L467-T471 PolarHBondContact O-N 3.33Å; L467-T471 PolarHBondContact O-OG1 3.38Å; T471-P473 WeakPolarHBondContact O-CD 3.42Å
472	N	95.7	Very high	95.1	Very high	15 Å²	15	64.5 Å²	64.5	8%	0.08	35%	0.346	C	S	.	.			trans	-82.9	116	173.5	176	16.8	0	0	0	109.9	P412 F415 E416 N418 L474 Y475	P412-N472 PolarHBondContact O-ND2 3.23Å; F415-N472 WeakPolarHBondContact O-CB 3.5Å; F415-N472 PolarHBondContact O-ND2 2.92Å; E416-N472 WeakPolarHBondContact O-CB 3.39Å; E416-N472 PolarHBondContact O-N 2.89Å; N418-N472 HydrophobicContact CB-CB 4.29Å; N472-L474 PolarHBondContact O-N 2.88Å; N472-L474 WeakPolarHBondContact OD1-CB 3.48Å; N472-L474 PolarHBondContact OD1-N 2.9Å; N472-Y475 VanDerWaalsContact O-CB 3.29Å; N472-Y475 WeakPolarHBondContact O-CB 3.49Å; N472-Y475 PolarHBondContact O-N 3.29Å; N472-Y475 VanDerWaalsContact O-N 3.08Å
473	P	92.8	Very high	95.2	Very high	32 Å²	32	67.4 Å²	67.4	21%	0.208	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.1	-179.2	31.2	-39.6	0	0	0	112.9	T471 Y475 Y512 M515 V516 I519	T471-P473 WeakPolarHBondContact O-CD 3.42Å; P473-Y475 VanDerWaalsContact C-N 3.3Å; P473-Y512 VanDerWaalsContact CD-OH 3.28Å; P473-Y512 WeakPolarHBondContact CD-OH 3.19Å; P473-M515 HydrophobicContact CG-CE 3.72Å; P473-V516 HydrophobicContact CB-CG2 4.41Å; P473-V516 HydrophobicContact CG-CG2 3.94Å; P473-I519 HydrophobicContact CB-CD1 3.8Å; P473-I519 HydrophobicContact CG-CD1 4Å
474	L	93.5	Very high	95.4	Very high	59 Å²	59	66 Å²	66	31%	0.309	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-1.1	176.2	-63.2	173.7	0	0	0	113.4	C413 N472 E476 M515 I519	C413-L474 VanDerWaalsContact CA-O 3.3Å; C413-L474 WeakPolarHBondContact CA-O 3.46Å; C413-L474 VanDerWaalsContact CB-O 3.24Å; C413-L474 WeakPolarHBondContact CB-O 3.4Å; N472-L474 PolarHBondContact O-N 2.88Å; N472-L474 WeakPolarHBondContact OD1-CB 3.48Å; N472-L474 PolarHBondContact OD1-N 2.9Å; L474-E476 PolarHBondContact O-N 2.97Å; L474-M515 HydrophobicContact CD1-CE 4.49Å; L474-M515 HydrophobicContact CD1-SD 3.69Å; L474-M515 HydrophobicContact CD2-SD 4.21Å; L474-M515 HydrophobicContact CG-CE 4.47Å; L474-M515 HydrophobicContact CG-SD 3.96Å; L474-I519 HydrophobicContact CD2-CD1 3.5Å; L474-I519 VanDerWaalsContact CD2-CD1 3.5Å; L474-I519 HydrophobicContact CD2-CG1 4.34Å; L474-I519 HydrophobicContact CG-CD1 4.07Å
475	Y	96.1	Very high	95.5	Very high	66 Å²	66	63.7 Å²	63.7	26%	0.259	34%	0.338	S	S	.	.			trans	-62.1	126.1	-174.1	177.3	-123.5	0	0	0	112.4	C413 F415 E416 N472 P473	C413-Y475 CarbonylContact O-C 3.55Å; C413-Y475 WeakPolarHBondContact O-CA 3.38Å; C413-Y475 WeakPolarHBondContact O-CD2 3.47Å; F415-Y475 WeakPolarHBondContact O-CB 3.15Å; F415-Y475 VanDerWaalsContact O-CD2 3.29Å; F415-Y475 WeakPolarHBondContact O-CD2 3.48Å; E416-Y475 VanDerWaalsContact CA-CG 3.46Å; E416-Y475 HydrophobicContact CB-CD1 3.83Å; E416-Y475 HydrophobicContact CB-CD2 4.17Å; E416-Y475 HydrophobicContact CB-CE1 3.88Å; E416-Y475 HydrophobicContact CB-CE2 4.19Å; E416-Y475 HydrophobicContact CB-CG 3.98Å; E416-Y475 HydrophobicContact CG-CD1 3.88Å; E416-Y475 HydrophobicContact CG-CE1 4.07Å; E416-Y475 HydrophobicContact CG-CG 4.39Å; E416-Y475 VanDerWaalsContact N-CD2 3.26Å; N472-Y475 VanDerWaalsContact O-CB 3.29Å; N472-Y475 WeakPolarHBondContact O-CB 3.49Å; N472-Y475 PolarHBondContact O-N 3.29Å; N472-Y475 VanDerWaalsContact O-N 3.08Å; P473-Y475 VanDerWaalsContact C-N 3.3Å
476	E	94.3	Very high	95.7	Very high	137 Å²	137	59.3 Å²	59.3	64%	0.64	32%	0.32	S	S	*	.			trans	-128.5	128.5	170.2	-66.8	-176.5	-177.3	0	0	108.6	C413 L474 N478	C413-E476 HydrophobicContact CB-CB 4.39Å; C413-E476 PolarHBondContact O-N 3.31Å; L474-E476 PolarHBondContact O-N 2.97Å; E476-N478 PolarHBondContact O-N 3.26Å
477	A	93.8	Very high	95.8	Very high	91 Å²	91	59.2 Å²	59.2	75%	0.752	33%	0.326	S	S	*	.			trans	-60.3	104.4	-179.2	0	0	0	0	0	111
478	N	95.3	Very high	95.8	Very high	40 Å²	40	61.1 Å²	61.1	21%	0.214	34%	0.341	C	S	.	.			trans	-106.5	101.9	180	178.4	3.4	0	0	0	110.9	P353 R356 S414 E476 L480	P353-N478 WeakPolarHBondContact CB-O 3.24Å; R356-N478 PolarHBondContact NH1-O 3.35Å; S414-N478 PolarHBondContact OG-ND2 3.32Å; E476-N478 PolarHBondContact O-N 3.26Å; N478-L480 PolarHBondContact O-N 2.97Å; N478-L480 VanDerWaalsContact OD1-CB 3.27Å; N478-L480 WeakPolarHBondContact OD1-CB 3.33Å; N478-L480 PolarHBondContact OD1-N 3.11Å
479	S	95.4	Very high	95.9	Very high	88 Å²	88	61.9 Å²	61.9	62%	0.615	35%	0.345	S	S	*	.			trans	-76.9	-1.6	-179.2	64.4	0	0	0	0	115.2
480	L	97	Very high	96.1	Very high	112 Å²	112	57.5 Å²	57.5	59%	0.586	33%	0.328	S	S	*	.	S	Bend	trans	-81.8	156	-178.1	-56.9	178.5	0	0	0	111.3	R356 N478	R356-L480 PolarHBondContact NH2-O 3.17Å; N478-L480 PolarHBondContact O-N 2.97Å; N478-L480 VanDerWaalsContact OD1-CB 3.27Å; N478-L480 WeakPolarHBondContact OD1-CB 3.33Å; N478-L480 PolarHBondContact OD1-N 3.11Å
481	V	98.3	Very high	96.2	Very high	20 Å²	20	57.8 Å²	57.8	12%	0.121	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69.9	129	167.2	-178.2	0	0	0	0	108.1	I350 L351 W483	I350-V481 HydrophobicContact CG2-CG1 3.8Å; I350-V481 WeakPolarHBondContact O-CA 3.22Å; I350-V481 WeakPolarHBondContact O-CG1 3.37Å; L351-V481 HydrophobicContact CD2-CG1 4.14Å; L351-V481 HydrophobicContact CD2-CG2 4.42Å; V481-W483 HydrophobicContact CB-CZ2 4.41Å; V481-W483 HydrophobicContact CG1-CD2 4.24Å; V481-W483 VanDerWaalsContact CG1-CE2 3.48Å; V481-W483 HydrophobicContact CG1-CH2 4.15Å; V481-W483 HydrophobicContact CG1-CZ2 3.46Å; V481-W483 VanDerWaalsContact CG1-CZ2 3.46Å
482	I	98.3	Very high	96.2	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-102.9	120.2	-177.8	55.8	173.4	0	0	0	110.5	I350 I407 F411 F415 P484	I350-I482 VanDerWaalsContact CG2-O 3.29Å; I350-I482 WeakPolarHBondContact CG2-O 3.3Å; I350-I482 PolarHBondContact O-N 3.19Å; I350-I482 VanDerWaalsContact O-N 3.11Å; I407-I482 HydrophobicContact CG2-CD1 3.62Å; I407-I482 HydrophobicContact CG2-CG1 4.4Å; F411-I482 HydrophobicContact CB-CD1 4.46Å; F411-I482 HydrophobicContact CD1-CB 4.09Å; F411-I482 HydrophobicContact CD1-CG2 3.93Å; F411-I482 HydrophobicContact CD2-CB 4.02Å; F411-I482 HydrophobicContact CD2-CD1 4.1Å; F411-I482 HydrophobicContact CD2-CG1 4.49Å; F411-I482 HydrophobicContact CE1-CB 4Å; F411-I482 HydrophobicContact CE1-CG2 4.11Å; F411-I482 HydrophobicContact CE2-CB 3.92Å; F411-I482 HydrophobicContact CG-CB 4.11Å; F411-I482 HydrophobicContact CG-CD1 4.29Å; F411-I482 HydrophobicContact CG-CG2 4.19Å; F411-I482 HydrophobicContact CZ-CB 3.91Å; F415-I482 HydrophobicContact CE2-CD1 3.87Å; F415-I482 HydrophobicContact CZ-CD1 3.95Å; I482-P484 WeakPolarHBondContact O-CD 3.34Å
483	W	98.3	Very high	96.3	Very high	78 Å²	78	59.4 Å²	59.4	30%	0.295	34%	0.336	S	S	.	.			trans	-103.8	94.7	-175.1	-62.9	96.8	0	0	0	110.1	A319 Q320 D323 R324 I350 V481	A319-W483 HydrophobicContact CB-CH2 3.96Å; A319-W483 HydrophobicContact CB-CZ3 3.84Å; Q320-W483 HydrophobicContact CB-CH2 4.13Å; Q320-W483 HydrophobicContact CB-CZ3 4.05Å; D323-W483 HydrophobicContact CB-CH2 4.41Å; D323-W483 HydrophobicContact CB-CZ2 4.22Å; R324-W483 HydrophobicContact CG-CH2 4.34Å; R324-W483 HydrophobicContact CG-CZ2 4.07Å; I350-W483 HydrophobicContact CG2-CE3 4.38Å; I350-W483 HydrophobicContact CG2-CZ3 4.32Å; V481-W483 HydrophobicContact CB-CZ2 4.41Å; V481-W483 HydrophobicContact CG1-CD2 4.24Å; V481-W483 VanDerWaalsContact CG1-CE2 3.48Å; V481-W483 HydrophobicContact CG1-CH2 4.15Å; V481-W483 HydrophobicContact CG1-CZ2 3.46Å; V481-W483 VanDerWaalsContact CG1-CZ2 3.46Å
484	P	98.1	Very high	96.6	Very high	10 Å²	10	57.9 Å²	57.9	7%	0.065	33%	0.326	C	S	.	.			trans	-66.7	142.2	179.8	30	-36.7	0	0	0	111	I350 I407 F411 I482 V486	I350-P484 HydrophobicContact CD1-CG 4.2Å; I350-P484 HydrophobicContact CG1-CG 4.39Å; I407-P484 HydrophobicContact CD1-CG 4.32Å; I407-P484 HydrophobicContact CG1-CB 4Å; I407-P484 HydrophobicContact CG1-CG 3.97Å; F411-P484 HydrophobicContact CE2-CB 4.2Å; I482-P484 WeakPolarHBondContact O-CD 3.34Å; P484-V486 PolarHBondContact O-N 3Å
485	S	98.3	Very high	96.6	Very high	44 Å²	44	59 Å²	59	31%	0.308	33%	0.329	S	S	.	.			trans	-68.7	126.8	166.4	179.2	0	0	0	0	109.6	Q410 A487 S490	Q410-S485 PolarHBondContact NE2-O 2.92Å; S485-A487 WeakPolarHBondContact OG-CB 3.25Å; S485-A487 PolarHBondContact OG-N 2.78Å; S485-S490 WeakPolarHBondContact CB-OG 3.28Å; S485-S490 VanDerWaalsContact OG-CB 3.31Å; S485-S490 WeakPolarHBondContact OG-CB 3.42Å; S485-S490 PolarHBondContact OG-OG 2.99Å
486	V	96.4	Very high	96.5	Very high	37 Å²	37	57.1 Å²	57.1	22%	0.224	33%	0.33	C	S	.	.			trans	-104	12	172.8	-59	0	0	0	0	112	L312 P484	L312-V486 HydrophobicContact CB-CG1 3.65Å; P484-V486 PolarHBondContact O-N 3Å
487	A	96.9	Very high	96.6	Very high	37 Å²	37	50.6 Å²	50.6	31%	0.306	30%	0.3	S	S	.	.	S	Bend	trans	-63.1	138.3	172.5	0	0	0	0	0	109.3	S485 Q489 S490	S485-A487 WeakPolarHBondContact OG-CB 3.25Å; S485-A487 PolarHBondContact OG-N 2.78Å; A487-Q489 PolarHBondContact O-N 3.05Å; A487-Q489 VanDerWaalsContact O-N 3.11Å; A487-S490 WeakPolarHBondContact O-CA 3.31Å; A487-S490 WeakPolarHBondContact O-CB 3.37Å; A487-S490 PolarHBondContact O-N 2.77Å
488	P	94.8	Very high	96.8	Very high	83 Å²	83	46.6 Å²	46.6	54%	0.539	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-52.7	-36.8	-179	-28.3	35	0	0	0	113.9	K309 S490 L491	K309-P488 HydrophobicContact CD-CG 4.21Å; P488-S490 PolarHBondContact O-N 3.38Å; P488-L491 PolarHBondContact O-N 3.03Å
489	Q	95.5	Very high	96.7	Very high	162 Å²	162	45.5 Å²	45.5	76%	0.757	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-67	-19.8	178.3	-55.4	86.8	-16.5	0	0	113.2	A487	A487-Q489 PolarHBondContact O-N 3.05Å; A487-Q489 VanDerWaalsContact O-N 3.11Å
490	S	97	Very high	96.6	Very high	35 Å²	35	43.4 Å²	43.4	25%	0.245	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-91	-7.3	178.4	-57.5	0	0	0	0	112.8	R409 S485 A487 P488	R409-S490 PolarHBondContact NH2-O 3.33Å; S485-S490 WeakPolarHBondContact CB-OG 3.28Å; S485-S490 VanDerWaalsContact OG-CB 3.31Å; S485-S490 WeakPolarHBondContact OG-CB 3.42Å; S485-S490 PolarHBondContact OG-OG 2.99Å; A487-S490 WeakPolarHBondContact O-CA 3.31Å; A487-S490 WeakPolarHBondContact O-CB 3.37Å; A487-S490 PolarHBondContact O-N 2.77Å; P488-S490 PolarHBondContact O-N 3.38Å
491	L	97.6	Very high	96.3	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.068	22%	0.222	C	C	.	.			trans	-104.1	128.8	-178.3	-58.2	178.2	0	0	0	109.8	I308 K309 L312 Q406 P488	I308-L491 HydrophobicContact CG2-CD1 4.43Å; I308-L491 HydrophobicContact CG2-CD2 4.4Å; K309-L491 HydrophobicContact CB-CD1 3.57Å; K309-L491 HydrophobicContact CG-CD1 4.26Å; L312-L491 HydrophobicContact CD1-CD2 3.86Å; Q406-L491 HydrophobicContact CB-CD2 4.33Å; Q406-L491 HydrophobicContact CG-CD2 4.12Å; P488-L491 PolarHBondContact O-N 3.03Å
492	L	97.5	Very high	95.9	Very high	81 Å²	81	43.7 Å²	43.7	42%	0.424	24%	0.235	S	C	.	.			trans	-117.8	161.4	-176.7	-63.3	-174.6	0	0	0	111.5	W405 Q406 R409	W405-L492 HydrophobicContact CH2-CB 4.13Å; W405-L492 HydrophobicContact CZ3-CB 4.26Å; Q406-L492 PolarHBondContact NE2-O 2.63Å; R409-L492 VanDerWaalsContact CZ-CD1 3.43Å; R409-L492 VanDerWaalsContact CZ-CG 3.45Å
493	L	97.7	Very high	95.3	Very high	18 Å²	18	50.1 Å²	50.1	9%	0.094	26%	0.259	C	S	.	.			trans	-66.7	132.3	166.4	178.8	64.3	0	0	0	109.4	L281 W295 L299 W405 E495 F498 L499	L281-L493 HydrophobicContact CD1-CD1 3.84Å; L281-L493 HydrophobicContact CD2-CD1 4.26Å; W295-L493 HydrophobicContact CH2-CD2 3.6Å; W295-L493 HydrophobicContact CZ2-CD2 3.66Å; L299-L493 HydrophobicContact CD1-CD1 4.42Å; W405-L493 WeakPolarHBondContact CH2-O 3.27Å; L493-E495 VanDerWaalsContact C-N 3.34Å; L493-E495 PolarHBondContact O-N 2.79Å; L493-F498 HydrophobicContact CD1-CB 4.15Å; L493-F498 HydrophobicContact CD1-CD2 3.72Å; L493-F498 HydrophobicContact CD1-CG 4.18Å; L493-L499 HydrophobicContact CD2-CD1 4.01Å; L493-L499 HydrophobicContact CD2-CG 4.16Å
494	W	97.7	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.			trans	-75.8	86.1	174.2	-171.9	5.6	0	0	0	110.7	L398 L401 D402 W405 E419 L422 V423 G496 V497 F498	L398-W494 HydrophobicContact CD1-CZ3 4.21Å; L401-W494 HydrophobicContact CB-CH2 4.01Å; L401-W494 HydrophobicContact CB-CZ3 3.87Å; D402-W494 VanDerWaalsContact CA-CE3 3.47Å; D402-W494 HydrophobicContact CB-CE3 3.67Å; D402-W494 HydrophobicContact CB-CZ3 4.1Å; W405-W494 HydrophobicContact CB-CD2 3.97Å; W405-W494 HydrophobicContact CB-CE3 4.25Å; W405-W494 HydrophobicContact CB-CG 4.45Å; W405-W494 HydrophobicContact CB-CH2 4.42Å; W405-W494 HydrophobicContact CB-CZ2 4.15Å; W405-W494 HydrophobicContact CB-CZ3 4.47Å; W405-W494 AromaticContact CD1-CD1 3.65Å; W405-W494 AromaticContact CD1-CE2 3.61Å; W405-W494 AromaticContact CD1-NE1 3.26Å; W405-W494 VanDerWaalsContact CD1-NE1 3.26Å; W405-W494 HydrophobicContact CD2-CB 4.06Å; W405-W494 AromaticContact CD2-CD1 3.51Å; W405-W494 HydrophobicContact CD2-CD2 4.1Å; W405-W494 AromaticContact CD2-CG 3.63Å; W405-W494 HydrophobicContact CD2-CG 3.63Å; W405-W494 AromaticContact CD2-NE1 3.93Å; W405-W494 AromaticContact CE2-CD1 3.34Å; W405-W494 AromaticContact CE2-CG 3.93Å; W405-W494 AromaticContact CE2-NE1 3.8Å; W405-W494 HydrophobicContact CE3-CB 3.8Å; W405-W494 AromaticContact CE3-CG 3.9Å; W405-W494 HydrophobicContact CE3-CG 3.9Å; W405-W494 AromaticContact CG-CD1 3.72Å; W405-W494 AromaticContact CG-CD2 3.83Å; W405-W494 HydrophobicContact CG-CD2 3.83Å; W405-W494 AromaticContact CG-CE2 3.65Å; W405-W494 AromaticContact CG-CG 3.88Å; W405-W494 HydrophobicContact CG-CG 3.88Å; W405-W494 HydrophobicContact CG-CZ2 4.25Å; W405-W494 AromaticContact CG-NE1 3.62Å; W405-W494 HydrophobicContact CH2-CB 4.37Å; W405-W494 AromaticContact CZ2-CD1 3.86Å; W405-W494 HydrophobicContact CZ2-CG 4.44Å; W405-W494 HydrophobicContact CZ3-CB 3.97Å; W405-W494 HydrophobicContact CZ3-CG 4.41Å; W405-W494 AromaticContact NE1-CD1 3.4Å; W405-W494 AromaticContact NE1-NE1 3.36Å; E419-W494 VanDerWaalsContact CD-NE1 3.33Å; E419-W494 HydrophobicContact CG-CZ2 4.3Å; E419-W494 VanDerWaalsContact OE1-CD1 3.23Å; E419-W494 PolarHBondContact OE1-NE1 3.31Å; L422-W494 HydrophobicContact CB-CH2 3.67Å; L422-W494 HydrophobicContact CB-CZ2 3.78Å; L422-W494 HydrophobicContact CD1-CZ2 4.47Å; V423-W494 HydrophobicContact CG2-CZ2 3.96Å; W494-G496 VanDerWaalsContact C-N 3.31Å; W494-G496 PolarHBondContact O-N 3.15Å; W494-V497 HydrophobicContact CD2-CB 4.11Å; W494-V497 HydrophobicContact CD2-CG2 3.59Å; W494-V497 VanDerWaalsContact CE2-CG2 3.49Å; W494-V497 HydrophobicContact CE3-CB 4.3Å; W494-V497 HydrophobicContact CE3-CG2 3.75Å; W494-V497 HydrophobicContact CG-CB 4.34Å; W494-V497 HydrophobicContact CG-CG2 4.25Å; W494-V497 HydrophobicContact CH2-CG2 3.78Å; W494-V497 HydrophobicContact CZ2-CG2 3.61Å; W494-V497 HydrophobicContact CZ3-CG2 3.85Å; W494-V497 PolarHBondContact O-N 2.81Å; W494-F498 HydrophobicContact CB-CD2 4.11Å; W494-F498 HydrophobicContact CB-CE2 4.19Å; W494-F498 WeakPolarHBondContact O-CD2 3.36Å; W494-F498 PolarHBondContact O-N 2.96Å
495	E	94.9	Very high	94	Very high	82 Å²	82	52.3 Å²	52.3	38%	0.383	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-37.8	-173.9	-57	-162.6	167.5	0	0	112.8	L493 V497 F498 L499 R500 R503	L493-E495 VanDerWaalsContact C-N 3.34Å; L493-E495 PolarHBondContact O-N 2.79Å; E495-V497 PolarHBondContact O-N 2.91Å; E495-V497 VanDerWaalsContact O-N 3.1Å; E495-F498 PolarHBondContact O-N 3.48Å; E495-L499 HydrophobicContact CB-CB 4.31Å; E495-L499 HydrophobicContact CB-CD1 4.24Å; E495-L499 HydrophobicContact CG-CD1 3.95Å; E495-L499 CarbonylContact O-C 3.54Å; E495-L499 WeakPolarHBondContact O-CA 3.34Å; E495-L499 WeakPolarHBondContact O-CB 3.45Å; E495-L499 PolarHBondContact O-N 3.14Å; E495-R500 PolarHBondContact O-N 2.94Å; E495-R503 IonicContact OE1-NH1 2.64Å; E495-R503 PolarHBondContact OE1-NH1 2.77Å; E495-R503 IonicContact OE2-CZ 3.18Å; E495-R503 IonicContact OE2-NH1 3.6Å; E495-R503 PolarHBondContact OE2-NH1 2.8Å
496	G	94.3	Very high	93.4	Very high	27 Å²	27	56.3 Å²	56.3	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-68.2	-6	-179.6	0	0	0	0	0	115.2	E419 W494 R500	E419-G496 VanDerWaalsContact OE1-CA 3.25Å; E419-G496 WeakPolarHBondContact OE1-CA 3.34Å; W494-G496 VanDerWaalsContact C-N 3.31Å; W494-G496 PolarHBondContact O-N 3.15Å; G496-R500 WeakPolarHBondContact O-CD 3.49Å
497	V	96.4	Very high	92.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-107.3	-54.3	165.6	171.9	0	0	0	0	111	L76 L398 V423 F426 W494 E495 R500	L76-V497 HydrophobicContact CD1-CG1 4.07Å; L398-V497 HydrophobicContact CD1-CG1 4.29Å; V423-V497 HydrophobicContact CG2-CG2 3.95Å; F426-V497 HydrophobicContact CD1-CG1 4.3Å; F426-V497 HydrophobicContact CE1-CG1 4.08Å; W494-V497 HydrophobicContact CD2-CB 4.11Å; W494-V497 HydrophobicContact CD2-CG2 3.59Å; W494-V497 VanDerWaalsContact CE2-CG2 3.49Å; W494-V497 HydrophobicContact CE3-CB 4.3Å; W494-V497 HydrophobicContact CE3-CG2 3.75Å; W494-V497 HydrophobicContact CG-CB 4.34Å; W494-V497 HydrophobicContact CG-CG2 4.25Å; W494-V497 HydrophobicContact CH2-CG2 3.78Å; W494-V497 HydrophobicContact CZ2-CG2 3.61Å; W494-V497 HydrophobicContact CZ3-CG2 3.85Å; W494-V497 PolarHBondContact O-N 2.81Å; E495-V497 PolarHBondContact O-N 2.91Å; E495-V497 VanDerWaalsContact O-N 3.1Å; V497-R500 WeakPolarHBondContact O-CG 3.26Å
498	F	97.3	Very high	92.3	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.035	34%	0.335	C	S	.	.	H	α-helix	trans	-85.3	-20.5	-166.6	-62.4	-67.1	0	0	0	114.5	L76 L278 L281 V282 C285 W304 L398 L493 W494 E495	L76-F498 HydrophobicContact CD1-CD1 3.7Å; L76-F498 HydrophobicContact CD1-CE1 4.1Å; L278-F498 HydrophobicContact CD1-CE1 3.79Å; L278-F498 HydrophobicContact CD1-CZ 4.48Å; L281-F498 HydrophobicContact CD2-CD1 3.71Å; L281-F498 HydrophobicContact CD2-CD2 3.92Å; L281-F498 HydrophobicContact CD2-CE1 3.58Å; L281-F498 HydrophobicContact CD2-CE2 3.79Å; L281-F498 HydrophobicContact CD2-CG 3.89Å; L281-F498 HydrophobicContact CD2-CZ 3.62Å; L281-F498 HydrophobicContact CG-CD1 4.26Å; L281-F498 HydrophobicContact CG-CE1 4.48Å; L281-F498 HydrophobicContact CG-CG 4.46Å; V282-F498 HydrophobicContact CG2-CD1 4.43Å; C285-F498 WeakPolarHBondContact CB-O 3.45Å; W304-F498 AromaticContact CE2-CZ 3.71Å; W304-F498 HydrophobicContact CH2-CZ 4.13Å; W304-F498 HydrophobicContact CZ2-CE1 4.48Å; W304-F498 HydrophobicContact CZ2-CE2 4.15Å; W304-F498 AromaticContact CZ2-CZ 3.5Å; W304-F498 HydrophobicContact CZ2-CZ 3.5Å; W304-F498 AromaticContact NE1-CE2 3.81Å; W304-F498 AromaticContact NE1-CZ 3.97Å; L398-F498 HydrophobicContact CD2-CE1 4.31Å; L398-F498 HydrophobicContact CD2-CZ 4.21Å; L493-F498 HydrophobicContact CD1-CB 4.15Å; L493-F498 HydrophobicContact CD1-CD2 3.72Å; L493-F498 HydrophobicContact CD1-CG 4.18Å; W494-F498 HydrophobicContact CB-CD2 4.11Å; W494-F498 HydrophobicContact CB-CE2 4.19Å; W494-F498 WeakPolarHBondContact O-CD2 3.36Å; W494-F498 PolarHBondContact O-N 2.96Å; E495-F498 PolarHBondContact O-N 3.48Å
499	L	93.9	Very high	91.9	Very high	16 Å²	16	63 Å²	63	8%	0.084	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-3	-179.9	-62.5	-178.9	0	0	0	113.7	C285 W295 L493 E495 W501 N502 R503	C285-L499 HydrophobicContact CB-CD2 3.76Å; W295-L499 HydrophobicContact CH2-CD2 4.42Å; L493-L499 HydrophobicContact CD2-CD1 4.01Å; L493-L499 HydrophobicContact CD2-CG 4.16Å; E495-L499 HydrophobicContact CB-CB 4.31Å; E495-L499 HydrophobicContact CB-CD1 4.24Å; E495-L499 HydrophobicContact CG-CD1 3.95Å; E495-L499 CarbonylContact O-C 3.54Å; E495-L499 WeakPolarHBondContact O-CA 3.34Å; E495-L499 WeakPolarHBondContact O-CB 3.45Å; E495-L499 PolarHBondContact O-N 3.14Å; L499-W501 PolarHBondContact O-N 2.9Å; L499-W501 VanDerWaalsContact O-N 3.09Å; L499-N502 CarbonylContact O-C 3.57Å; L499-N502 PolarHBondContact O-N 3.29Å; L499-R503 PolarHBondContact O-N 3.18Å
500	R	92.2	Very high	91.6	Very high	45 Å²	45	60.4 Å²	60.4	17%	0.17	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.4	-176.9	73.3	-171.5	-178.6	153.9	3.1	115	D75 E427 E495 G496 V497	D75-R500 PolarHBondContact O-NH2 2.97Å; E427-R500 IonicContact OE1-CZ 2.83Å; E427-R500 IonicContact OE1-NH1 3.5Å; E427-R500 PolarHBondContact OE1-NH1 3.05Å; E427-R500 IonicContact OE1-NH2 3.46Å; E427-R500 PolarHBondContact OE1-NH2 3.25Å; E495-R500 PolarHBondContact O-N 2.94Å; G496-R500 WeakPolarHBondContact O-CD 3.49Å; V497-R500 WeakPolarHBondContact O-CG 3.26Å
501	W	91.8	Very high	91.2	Very high	66 Å²	66	61.6 Å²	61.6	25%	0.25	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-7.1	176.9	-53.5	122.7	0	0	0	113.5	P20 F21 D75 L76 R77 L499	P20-W501 WeakPolarHBondContact CB-O 3.35Å; P20-W501 HydrophobicContact CG-CB 4.42Å; F21-W501 VanDerWaalsContact CE2-O 3.27Å; F21-W501 WeakPolarHBondContact CE2-O 3.34Å; D75-W501 PolarHBondContact O-NE1 2.92Å; L76-W501 VanDerWaalsContact O-CD1 3.25Å; R77-W501 HydrophobicContact CB-CD2 4.09Å; R77-W501 HydrophobicContact CB-CG 4.35Å; R77-W501 HydrophobicContact CB-CZ2 4.02Å; R77-W501 HydrophobicContact CG-CD2 4.03Å; R77-W501 HydrophobicContact CG-CE3 4.26Å; R77-W501 HydrophobicContact CG-CH2 4.48Å; R77-W501 HydrophobicContact CG-CZ2 4.24Å; R77-W501 HydrophobicContact CG-CZ3 4.48Å; L499-W501 PolarHBondContact O-N 2.9Å; L499-W501 VanDerWaalsContact O-N 3.09Å
502	N	88.5	Confident	90.7	Very high	72 Å²	72	64.9 Å²	64.9	39%	0.385	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-15.2	-176.5	-61.8	-17.8	0	0	0	112.8	C285 L499	C285-N502 VanDerWaalsContact C-ND2 3.29Å; C285-N502 PolarHBondContact O-ND2 2.87Å; L499-N502 CarbonylContact O-C 3.57Å; L499-N502 PolarHBondContact O-N 3.29Å
503	R	86.3	Confident	90.3	Very high	138 Å²	138	66 Å²	66	52%	0.521	35%	0.348	S	S	.	.	S	Bend	trans	-134.1	138.7	174	-64.1	177.8	66.7	-158.7	-5.6	109.5	E495 L499	E495-R503 IonicContact OE1-NH1 2.64Å; E495-R503 PolarHBondContact OE1-NH1 2.77Å; E495-R503 IonicContact OE2-CZ 3.18Å; E495-R503 IonicContact OE2-NH1 3.6Å; E495-R503 PolarHBondContact OE2-NH1 2.8Å; L499-R503 PolarHBondContact O-N 3.18Å
504	S	85.1	Confident	90.1	Very high	76 Å²	76	70.2 Å²	70.2	53%	0.531	37%	0.366	S	S	.	.			trans	-67.1	133.4	172.3	179.5	0	0	0	0	110.2	K506	S504-K506 VanDerWaalsContact C-N 3.29Å; S504-K506 PolarHBondContact OG-N 2.99Å
505	S	84.4	Confident	89.8	Confident	58 Å²	58	72.8 Å²	72.8	41%	0.406	38%	0.379	S	S	.	.			trans	-79.5	-8.1	175.8	56.6	0	0	0	0	113.6	C507 L508 D509	S505-C507 VanDerWaalsContact C-N 3.32Å; S505-C507 PolarHBondContact O-N 2.91Å; S505-L508 WeakPolarHBondContact O-CA 3.37Å; S505-L508 WeakPolarHBondContact O-CB 3.23Å; S505-L508 PolarHBondContact O-N 3.12Å; S505-D509 VanDerWaalsContact C-OD2 3.3Å; S505-D509 VanDerWaalsContact CB-OD2 3.25Å; S505-D509 WeakPolarHBondContact CB-OD2 3.44Å; S505-D509 VanDerWaalsContact O-CG 3.32Å; S505-D509 PolarHBondContact O-N 2.93Å; S505-D509 PolarHBondContact OG-OD2 2.61Å
506	K	85.4	Confident	89.5	Confident	128 Å²	128	70.4 Å²	70.4	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-45.3	-48.2	-168.5	-178.9	174.6	175.2	176.5	0	114.7	S504 L508 D509 E510	S504-K506 VanDerWaalsContact C-N 3.29Å; S504-K506 PolarHBondContact OG-N 2.99Å; K506-L508 VanDerWaalsContact C-N 3.34Å; K506-L508 PolarHBondContact O-N 2.91Å; K506-D509 PolarHBondContact O-N 3.1Å; K506-E510 WeakPolarHBondContact CE-OE1 3.44Å; K506-E510 IonicContact NZ-OE1 3.89Å; K506-E510 WeakPolarHBondContact O-CB 3.09Å; K506-E510 VanDerWaalsContact O-CG 3.31Å; K506-E510 WeakPolarHBondContact O-CG 3.3Å; K506-E510 PolarHBondContact O-N 2.97Å
507	C	86.2	Confident	89.4	Confident	100 Å²	100	74.1 Å²	74.1	68%	0.676	38%	0.38	S	S	*	.	H	α-helix	trans	-69.5	-31.3	-179.5	-57.8	0	0	0	0	113.3	S505 A511	S505-C507 VanDerWaalsContact C-N 3.32Å; S505-C507 PolarHBondContact O-N 2.91Å; C507-A511 WeakPolarHBondContact O-CB 3.05Å; C507-A511 PolarHBondContact O-N 3.14Å; C507-A511 VanDerWaalsContact O-N 3.15Å
508	L	84.6	Confident	89.3	Confident	121 Å²	121	78 Å²	78	63%	0.634	40%	0.4	S	S	*	.	H	α-helix	trans	-73.3	-39.7	175.4	-65.8	173.2	0	0	0	110.4	S505 K506 A511 Y512	S505-L508 WeakPolarHBondContact O-CA 3.37Å; S505-L508 WeakPolarHBondContact O-CB 3.23Å; S505-L508 PolarHBondContact O-N 3.12Å; K506-L508 VanDerWaalsContact C-N 3.34Å; K506-L508 PolarHBondContact O-N 2.91Å; L508-A511 PolarHBondContact O-N 3.16Å; L508-Y512 WeakPolarHBondContact O-CB 3.47Å; L508-Y512 PolarHBondContact O-N 3.39Å
509	D	85.8	Confident	88.9	Confident	76 Å²	76	79 Å²	79	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-48.6	176.3	-56.1	-26.8	0	0	0	110.1	S505 K506 A511 Y512 D513	S505-D509 VanDerWaalsContact C-OD2 3.3Å; S505-D509 VanDerWaalsContact CB-OD2 3.25Å; S505-D509 WeakPolarHBondContact CB-OD2 3.44Å; S505-D509 VanDerWaalsContact O-CG 3.32Å; S505-D509 PolarHBondContact O-N 2.93Å; S505-D509 PolarHBondContact OG-OD2 2.61Å; K506-D509 PolarHBondContact O-N 3.1Å; D509-A511 VanDerWaalsContact C-N 3.3Å; D509-A511 PolarHBondContact O-N 2.71Å; D509-Y512 WeakPolarHBondContact O-CB 3.36Å; D509-Y512 PolarHBondContact O-N 3.19Å; D509-Y512 VanDerWaalsContact O-N 3.09Å; D509-D513 PolarHBondContact O-N 3.33Å
510	E	89.8	Confident	88.7	Confident	109 Å²	109	83.5 Å²	83.5	51%	0.509	43%	0.426	S	S	.	.	H	α-helix	trans	-58.5	-39.9	174.9	-74.2	171.5	-176.7	0	0	112.4	K506 E514	K506-E510 WeakPolarHBondContact CE-OE1 3.44Å; K506-E510 IonicContact NZ-OE1 3.89Å; K506-E510 WeakPolarHBondContact O-CB 3.09Å; K506-E510 VanDerWaalsContact O-CG 3.31Å; K506-E510 WeakPolarHBondContact O-CG 3.3Å; K506-E510 PolarHBondContact O-N 2.97Å; E510-E514 PolarHBondContact O-N 3.18Å; E510-E514 VanDerWaalsContact O-N 3.09Å
511	A	87.6	Confident	88.7	Confident	60 Å²	60	87.2 Å²	87.2	50%	0.496	44%	0.441	S	S	.	.	H	α-helix	trans	-69.1	-35.2	176.7	0	0	0	0	0	112.4	C507 L508 D509 M515	C507-A511 WeakPolarHBondContact O-CB 3.05Å; C507-A511 PolarHBondContact O-N 3.14Å; C507-A511 VanDerWaalsContact O-N 3.15Å; L508-A511 PolarHBondContact O-N 3.16Å; D509-A511 VanDerWaalsContact C-N 3.3Å; D509-A511 PolarHBondContact O-N 2.71Å; A511-M515 WeakPolarHBondContact O-CB 3.49Å; A511-M515 PolarHBondContact O-N 3.39Å
512	Y	87.6	Confident	88.8	Confident	82 Å²	82	87.8 Å²	87.8	32%	0.322	45%	0.449	S	S	.	.	H	α-helix	trans	-68.2	-44.9	175.9	-175.7	-93	0	0	0	111.2	P473 L508 D509 E514 M515 V516	P473-Y512 VanDerWaalsContact CD-OH 3.28Å; P473-Y512 WeakPolarHBondContact CD-OH 3.19Å; L508-Y512 WeakPolarHBondContact O-CB 3.47Å; L508-Y512 PolarHBondContact O-N 3.39Å; D509-Y512 WeakPolarHBondContact O-CB 3.36Å; D509-Y512 PolarHBondContact O-N 3.19Å; D509-Y512 VanDerWaalsContact O-N 3.09Å; Y512-E514 PolarHBondContact O-N 3.41Å; Y512-M515 HydrophobicContact CD2-CE 3.48Å; Y512-M515 VanDerWaalsContact CD2-CE 3.48Å; Y512-M515 HydrophobicContact CE2-CE 3.48Å; Y512-M515 VanDerWaalsContact CE2-CE 3.48Å; Y512-M515 HydrophobicContact CG-CE 4.25Å; Y512-M515 WeakPolarHBondContact O-CB 3.31Å; Y512-M515 PolarHBondContact O-N 2.88Å; Y512-M515 VanDerWaalsContact O-N 3.16Å; Y512-V516 HydrophobicContact CD1-CG2 4.03Å; Y512-V516 HydrophobicContact CE1-CG2 3.69Å; Y512-V516 WeakPolarHBondContact O-CG2 3.31Å; Y512-V516 PolarHBondContact O-N 3.39Å
513	D	89.7	Confident	88.8	Confident	105 Å²	105	89.7 Å²	89.7	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-60.7	-44.4	177.3	-70.3	-17.1	0	0	0	111.4	D509 M515 V516 H517	D509-D513 PolarHBondContact O-N 3.33Å; D513-M515 VanDerWaalsContact C-N 3.33Å; D513-M515 PolarHBondContact O-N 3.28Å; D513-V516 PolarHBondContact O-N 3.26Å; D513-H517 WeakPolarHBondContact O-CB 3.44Å; D513-H517 PolarHBondContact O-N 3.23Å
514	E	92.2	Very high	89.2	Confident	105 Å²	105	89.1 Å²	89.1	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-63.7	-39.5	175.6	-175.1	59.1	-148.6	0	0	111.6	E510 Y512 H517 I518	E510-E514 PolarHBondContact O-N 3.18Å; E510-E514 VanDerWaalsContact O-N 3.09Å; Y512-E514 PolarHBondContact O-N 3.41Å; E514-H517 PolarHBondContact O-N 3.03Å; E514-H517 IonicContact OE1-ND1 3.73Å; E514-I518 HydrophobicContact CG-CD1 4Å; E514-I518 WeakPolarHBondContact O-CB 3.46Å; E514-I518 VanDerWaalsContact O-CG1 3.25Å; E514-I518 WeakPolarHBondContact O-CG1 3.32Å; E514-I518 PolarHBondContact O-N 2.75Å
515	M	91.2	Very high	89.6	Confident	54 Å²	54	88.8 Å²	88.8	27%	0.266	45%	0.449	S	S	.	.	H	α-helix	trans	-61	-45.8	174.7	177.9	-166.2	68.7	0	0	111.5	P473 L474 A511 Y512 D513 I518 I519	P473-M515 HydrophobicContact CG-CE 3.72Å; L474-M515 HydrophobicContact CD1-CE 4.49Å; L474-M515 HydrophobicContact CD1-SD 3.69Å; L474-M515 HydrophobicContact CD2-SD 4.21Å; L474-M515 HydrophobicContact CG-CE 4.47Å; L474-M515 HydrophobicContact CG-SD 3.96Å; A511-M515 WeakPolarHBondContact O-CB 3.49Å; A511-M515 PolarHBondContact O-N 3.39Å; Y512-M515 HydrophobicContact CD2-CE 3.48Å; Y512-M515 VanDerWaalsContact CD2-CE 3.48Å; Y512-M515 HydrophobicContact CE2-CE 3.48Å; Y512-M515 VanDerWaalsContact CE2-CE 3.48Å; Y512-M515 HydrophobicContact CG-CE 4.25Å; Y512-M515 WeakPolarHBondContact O-CB 3.31Å; Y512-M515 PolarHBondContact O-N 2.88Å; Y512-M515 VanDerWaalsContact O-N 3.16Å; D513-M515 VanDerWaalsContact C-N 3.33Å; D513-M515 PolarHBondContact O-N 3.28Å; M515-I518 PolarHBondContact O-N 2.88Å; M515-I519 HydrophobicContact CG-CD1 3.9Å; M515-I519 WeakPolarHBondContact O-CD1 3.23Å; M515-I519 VanDerWaalsContact O-CG1 3.26Å; M515-I519 WeakPolarHBondContact O-CG1 3.4Å; M515-I519 PolarHBondContact O-N 3.07Å
516	V	89.8	Confident	90	Very high	33 Å²	33	91.9 Å²	91.9	20%	0.2	46%	0.457	C	S	.	.	H	α-helix	trans	-58.1	-50.3	176.1	171	0	0	0	0	110	P473 Y512 D513 I518 I519 E520	P473-V516 HydrophobicContact CB-CG2 4.41Å; P473-V516 HydrophobicContact CG-CG2 3.94Å; Y512-V516 HydrophobicContact CD1-CG2 4.03Å; Y512-V516 HydrophobicContact CE1-CG2 3.69Å; Y512-V516 WeakPolarHBondContact O-CG2 3.31Å; Y512-V516 PolarHBondContact O-N 3.39Å; D513-V516 PolarHBondContact O-N 3.26Å; V516-I518 VanDerWaalsContact C-N 3.34Å; V516-I518 PolarHBondContact O-N 2.89Å; V516-I519 PolarHBondContact O-N 3.04Å; V516-I519 VanDerWaalsContact O-N 3.09Å; V516-E520 HydrophobicContact CG1-CG 4.4Å; V516-E520 WeakPolarHBondContact O-CG 3.42Å; V516-E520 PolarHBondContact O-N 3.27Å
517	H	92.4	Very high	90.4	Very high	105 Å²	105	91 Å²	91	49%	0.486	46%	0.458	S	S	.	.	H	α-helix	trans	-56.1	-45.8	178.2	172.6	-104.1	0	0	0	112.3	D513 E514 I519 E520 Y521	D513-H517 WeakPolarHBondContact O-CB 3.44Å; D513-H517 PolarHBondContact O-N 3.23Å; E514-H517 PolarHBondContact O-N 3.03Å; E514-H517 IonicContact OE1-ND1 3.73Å; H517-I519 VanDerWaalsContact C-N 3.34Å; H517-I519 PolarHBondContact O-N 2.82Å; H517-E520 PolarHBondContact O-N 2.86Å; H517-Y521 VanDerWaalsContact O-CB 3.3Å; H517-Y521 WeakPolarHBondContact O-CB 3.25Å; H517-Y521 PolarHBondContact O-N 3.02Å
518	I	93.1	Very high	90.8	Very high	80 Å²	80	92.7 Å²	92.7	41%	0.41	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-41.6	177	-70.9	166.2	0	0	0	111.5	E514 M515 V516 N522	E514-I518 HydrophobicContact CG-CD1 4Å; E514-I518 WeakPolarHBondContact O-CB 3.46Å; E514-I518 VanDerWaalsContact O-CG1 3.25Å; E514-I518 WeakPolarHBondContact O-CG1 3.32Å; E514-I518 PolarHBondContact O-N 2.75Å; M515-I518 PolarHBondContact O-N 2.88Å; V516-I518 VanDerWaalsContact C-N 3.34Å; V516-I518 PolarHBondContact O-N 2.89Å; I518-N522 WeakPolarHBondContact CG2-ND2 3.47Å; I518-N522 WeakPolarHBondContact O-CB 3.45Å; I518-N522 VanDerWaalsContact O-CG 3.29Å; I518-N522 PolarHBondContact O-N 3.41Å; I518-N522 PolarHBondContact O-ND2 3.41Å
519	I	89.1	Confident	91.4	Very high	29 Å²	29	90.2 Å²	90.2	15%	0.149	44%	0.444	C	S	.	.	H	α-helix	trans	-66.4	-46.1	-179.7	-69.3	162.9	0	0	0	110.8	P473 L474 M515 V516 H517 N522 K523	P473-I519 HydrophobicContact CB-CD1 3.8Å; P473-I519 HydrophobicContact CG-CD1 4Å; L474-I519 HydrophobicContact CD2-CD1 3.5Å; L474-I519 VanDerWaalsContact CD2-CD1 3.5Å; L474-I519 HydrophobicContact CD2-CG1 4.34Å; L474-I519 HydrophobicContact CG-CD1 4.07Å; M515-I519 HydrophobicContact CG-CD1 3.9Å; M515-I519 WeakPolarHBondContact O-CD1 3.23Å; M515-I519 VanDerWaalsContact O-CG1 3.26Å; M515-I519 WeakPolarHBondContact O-CG1 3.4Å; M515-I519 PolarHBondContact O-N 3.07Å; V516-I519 PolarHBondContact O-N 3.04Å; V516-I519 VanDerWaalsContact O-N 3.09Å; H517-I519 VanDerWaalsContact C-N 3.34Å; H517-I519 PolarHBondContact O-N 2.82Å; I519-N522 PolarHBondContact O-N 3.4Å; I519-K523 HydrophobicContact CG2-CD 4.4Å; I519-K523 WeakPolarHBondContact O-CG 2.99Å; I519-K523 PolarHBondContact O-N 2.74Å
520	E	89.8	Confident	91.8	Very high	111 Å²	111	90 Å²	90	52%	0.519	44%	0.443	S	S	.	.	H	α-helix	trans	-62.1	-48.1	178.4	-70.8	-179.2	164.8	0	0	111.2	V516 H517 N522 K523 E524	V516-E520 HydrophobicContact CG1-CG 4.4Å; V516-E520 WeakPolarHBondContact O-CG 3.42Å; V516-E520 PolarHBondContact O-N 3.27Å; H517-E520 PolarHBondContact O-N 2.86Å; E520-N522 VanDerWaalsContact C-N 3.3Å; E520-N522 PolarHBondContact O-N 2.82Å; E520-K523 WeakPolarHBondContact O-CB 3.38Å; E520-K523 PolarHBondContact O-N 2.88Å; E520-E524 PolarHBondContact O-N 3.33Å
521	Y	93.2	Very high	92	Very high	124 Å²	124	87.5 Å²	87.5	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-59.7	-40.2	176.7	-175.5	-116.4	0	0	0	112.2	H517 K523 E524 L525	H517-Y521 VanDerWaalsContact O-CB 3.3Å; H517-Y521 WeakPolarHBondContact O-CB 3.25Å; H517-Y521 PolarHBondContact O-N 3.02Å; Y521-K523 PolarHBondContact O-N 3.24Å; Y521-E524 PolarHBondContact O-N 3.47Å; Y521-L525 HydrophobicContact CD1-CD1 4Å; Y521-L525 HydrophobicContact CE1-CD1 3.58Å; Y521-L525 HydrophobicContact CE1-CG 4.22Å; Y521-L525 HydrophobicContact CE2-CG 4.44Å; Y521-L525 WeakPolarHBondContact O-CG 3.46Å; Y521-L525 PolarHBondContact O-N 3.4Å
522	N	92.1	Very high	92.4	Very high	77 Å²	77	89.1 Å²	89.1	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-40.4	173.9	-81.3	-43.9	0	0	0	112.6	I518 I519 E520 E524 L525 Q526	I518-N522 WeakPolarHBondContact CG2-ND2 3.47Å; I518-N522 WeakPolarHBondContact O-CB 3.45Å; I518-N522 VanDerWaalsContact O-CG 3.29Å; I518-N522 PolarHBondContact O-N 3.41Å; I518-N522 PolarHBondContact O-ND2 3.41Å; I519-N522 PolarHBondContact O-N 3.4Å; E520-N522 VanDerWaalsContact C-N 3.3Å; E520-N522 PolarHBondContact O-N 2.82Å; N522-E524 VanDerWaalsContact C-N 3.34Å; N522-L525 PolarHBondContact O-N 2.83Å; N522-Q526 WeakPolarHBondContact O-CG 3.31Å; N522-Q526 PolarHBondContact O-N 2.97Å
523	K	89.6	Confident	92.7	Very high	112 Å²	112	93.3 Å²	93.3	49%	0.487	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-42.2	175.1	-73.9	172.7	-178.9	170.8	0	111.2	I519 E520 Y521 Q526 N527	I519-K523 HydrophobicContact CG2-CD 4.4Å; I519-K523 WeakPolarHBondContact O-CG 2.99Å; I519-K523 PolarHBondContact O-N 2.74Å; E520-K523 WeakPolarHBondContact O-CB 3.38Å; E520-K523 PolarHBondContact O-N 2.88Å; Y521-K523 PolarHBondContact O-N 3.24Å; K523-Q526 PolarHBondContact O-N 3.12Å; K523-N527 WeakPolarHBondContact O-CB 3.32Å; K523-N527 VanDerWaalsContact O-CG 3.29Å; K523-N527 PolarHBondContact O-N 3.19Å; K523-N527 PolarHBondContact O-ND2 3.19Å
524	E	93.7	Very high	92.9	Very high	126 Å²	126	97.4 Å²	97.4	59%	0.589	46%	0.46	S	S	*	.	H	α-helix	trans	-61.2	-46.2	175.5	-68.6	-175.3	168	0	0	112.2	E520 Y521 N522 Q526 N527 K528	E520-E524 PolarHBondContact O-N 3.33Å; Y521-E524 PolarHBondContact O-N 3.47Å; N522-E524 VanDerWaalsContact C-N 3.34Å; E524-Q526 PolarHBondContact O-N 3.12Å; E524-N527 PolarHBondContact O-N 3.49Å; E524-K528 WeakPolarHBondContact O-CB 3.5Å; E524-K528 PolarHBondContact O-N 3.26Å
525	L	94.8	Very high	92.9	Very high	69 Å²	69	97.4 Å²	97.4	36%	0.361	46%	0.46	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176.8	-71.4	178	0	0	0	112	Y521 N522 K528 V529	Y521-L525 HydrophobicContact CD1-CD1 4Å; Y521-L525 HydrophobicContact CE1-CD1 3.58Å; Y521-L525 HydrophobicContact CE1-CG 4.22Å; Y521-L525 HydrophobicContact CE2-CG 4.44Å; Y521-L525 WeakPolarHBondContact O-CG 3.46Å; Y521-L525 PolarHBondContact O-N 3.4Å; N522-L525 PolarHBondContact O-N 2.83Å; L525-K528 PolarHBondContact O-N 2.91Å; L525-V529 WeakPolarHBondContact O-CG2 3.44Å; L525-V529 PolarHBondContact O-N 2.67Å
526	Q	92.6	Very high	93	Very high	124 Å²	124	99.6 Å²	99.6	58%	0.579	47%	0.472	S	S	*	.	H	α-helix	trans	-61.8	-43.6	175.6	-74.1	177.6	-3	0	0	111.9	N522 K523 E524 K528 V529 N530	N522-Q526 WeakPolarHBondContact O-CG 3.31Å; N522-Q526 PolarHBondContact O-N 2.97Å; K523-Q526 PolarHBondContact O-N 3.12Å; E524-Q526 PolarHBondContact O-N 3.12Å; Q526-K528 VanDerWaalsContact C-N 3.32Å; Q526-K528 PolarHBondContact O-N 2.98Å; Q526-V529 PolarHBondContact O-N 3.24Å; Q526-N530 WeakPolarHBondContact O-CB 3.35Å; Q526-N530 VanDerWaalsContact O-CG 3.3Å; Q526-N530 PolarHBondContact O-N 2.67Å; Q526-N530 PolarHBondContact O-ND2 3.29Å
527	N	93.6	Very high	93	Very high	108 Å²	108	100.2 Å²	100.2	58%	0.578	48%	0.481	S	S	*	.	H	α-helix	trans	-61.2	-41.7	175.8	-74.1	-25.9	0	0	0	111.7	K523 E524 N530 S531	K523-N527 WeakPolarHBondContact O-CB 3.32Å; K523-N527 VanDerWaalsContact O-CG 3.29Å; K523-N527 PolarHBondContact O-N 3.19Å; K523-N527 PolarHBondContact O-ND2 3.19Å; E524-N527 PolarHBondContact O-N 3.49Å; N527-N530 PolarHBondContact O-N 2.79Å; N527-S531 WeakPolarHBondContact O-CB 3.49Å; N527-S531 PolarHBondContact O-N 3.3Å
528	K	95.1	Very high	92.9	Very high	137 Å²	137	101 Å²	101	60%	0.596	48%	0.484	S	S	*	.	H	α-helix	trans	-63.1	-45.4	175.6	-172.1	173.8	-177.5	176.4	0	112	E524 L525 Q526 N530 S531 L532	E524-K528 WeakPolarHBondContact O-CB 3.5Å; E524-K528 PolarHBondContact O-N 3.26Å; L525-K528 PolarHBondContact O-N 2.91Å; Q526-K528 VanDerWaalsContact C-N 3.32Å; Q526-K528 PolarHBondContact O-N 2.98Å; K528-N530 VanDerWaalsContact C-N 3.34Å; K528-N530 PolarHBondContact O-N 3.2Å; K528-S531 PolarHBondContact O-N 3.27Å; K528-L532 HydrophobicContact CG-CD1 4.23Å; K528-L532 WeakPolarHBondContact O-CG 3.46Å; K528-L532 PolarHBondContact O-N 3.28Å
529	V	95.7	Very high	92.8	Very high	69 Å²	69	103 Å²	103	42%	0.418	50%	0.496	S	S	.	.	H	α-helix	trans	-59.8	-45	175.7	169.4	0	0	0	0	111	L525 Q526 S531 L532 R533	L525-V529 WeakPolarHBondContact O-CG2 3.44Å; L525-V529 PolarHBondContact O-N 2.67Å; Q526-V529 PolarHBondContact O-N 3.24Å; V529-S531 VanDerWaalsContact C-N 3.35Å; V529-S531 PolarHBondContact O-N 2.84Å; V529-L532 PolarHBondContact O-N 3.15Å; V529-R533 WeakPolarHBondContact O-CG 3.33Å; V529-R533 PolarHBondContact O-N 3.05Å
530	N	94.4	Very high	92.7	Very high	71 Å²	71	107.7 Å²	107.7	38%	0.38	52%	0.517	S	S	.	.	H	α-helix	trans	-64.1	-39.4	178.6	-72.9	-25.7	0	0	0	112.3	Q526 N527 K528 R533 R534	Q526-N530 WeakPolarHBondContact O-CB 3.35Å; Q526-N530 VanDerWaalsContact O-CG 3.3Å; Q526-N530 PolarHBondContact O-N 2.67Å; Q526-N530 PolarHBondContact O-ND2 3.29Å; N527-N530 PolarHBondContact O-N 2.79Å; K528-N530 VanDerWaalsContact C-N 3.34Å; K528-N530 PolarHBondContact O-N 3.2Å; N530-R533 PolarHBondContact O-N 3.24Å; N530-R534 WeakPolarHBondContact O-CG 3.27Å; N530-R534 PolarHBondContact O-N 3.44Å; N530-R534 VanDerWaalsContact O-N 3.09Å
531	S	94.8	Very high	92.2	Very high	56 Å²	56	107.8 Å²	107.8	39%	0.392	53%	0.525	S	S	.	.	H	α-helix	trans	-62.6	-48.3	174.5	-174.9	0	0	0	0	111.8	N527 K528 V529 R533 R534 Q535	N527-S531 WeakPolarHBondContact O-CB 3.49Å; N527-S531 PolarHBondContact O-N 3.3Å; K528-S531 PolarHBondContact O-N 3.27Å; V529-S531 VanDerWaalsContact C-N 3.35Å; V529-S531 PolarHBondContact O-N 2.84Å; S531-R533 VanDerWaalsContact C-N 3.33Å; S531-R533 PolarHBondContact O-N 3.17Å; S531-R534 WeakPolarHBondContact O-CB 3.3Å; S531-R534 PolarHBondContact O-N 2.95Å; S531-R534 VanDerWaalsContact O-N 3.14Å; S531-Q535 WeakPolarHBondContact O-CG 3.36Å; S531-Q535 PolarHBondContact O-N 2.97Å
532	L	95.6	Very high	91	Very high	94 Å²	94	107.1 Å²	107.1	49%	0.492	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-38.4	178.2	-70.3	170.9	0	0	0	112.2	K528 V529 Q535 L536	K528-L532 HydrophobicContact CG-CD1 4.23Å; K528-L532 WeakPolarHBondContact O-CG 3.46Å; K528-L532 PolarHBondContact O-N 3.28Å; V529-L532 PolarHBondContact O-N 3.15Å; L532-Q535 PolarHBondContact O-N 3.45Å; L532-L536 WeakPolarHBondContact O-CB 3.35Å; L532-L536 PolarHBondContact O-N 3.13Å
533	R	93.9	Very high	89.4	Confident	170 Å²	170	107.5 Å²	107.5	64%	0.642	53%	0.532	S	S	*	.	H	α-helix	trans	-62.3	-40.4	173.6	-77	177.4	175.6	178	-1.5	112.5	V529 N530 S531 L536 A537	V529-R533 WeakPolarHBondContact O-CG 3.33Å; V529-R533 PolarHBondContact O-N 3.05Å; N530-R533 PolarHBondContact O-N 3.24Å; S531-R533 VanDerWaalsContact C-N 3.33Å; S531-R533 PolarHBondContact O-N 3.17Å; R533-L536 PolarHBondContact O-N 3.44Å; R533-A537 PolarHBondContact O-N 2.99Å
534	R	93.4	Very high	87.7	Confident	192 Å²	192	107.1 Å²	107.1	73%	0.725	54%	0.541	S	S	*	.	H	α-helix	trans	-65.3	-41.9	175.3	-71.5	175.5	-171.9	169.4	3.2	111.5	N530 S531 A537 Q538	N530-R534 WeakPolarHBondContact O-CG 3.27Å; N530-R534 PolarHBondContact O-N 3.44Å; N530-R534 VanDerWaalsContact O-N 3.09Å; S531-R534 WeakPolarHBondContact O-CB 3.3Å; S531-R534 PolarHBondContact O-N 2.95Å; S531-R534 VanDerWaalsContact O-N 3.14Å; R534-A537 PolarHBondContact O-N 3.22Å; R534-Q538 PolarHBondContact O-N 3.21Å
535	Q	93.2	Very high	85.9	Confident	105 Å²	105	107.9 Å²	107.9	49%	0.491	55%	0.548	S	S	.	.	H	α-helix	trans	-62.9	-43.8	175.9	-71.4	178.9	-8.8	0	0	111.9	S531 L532 Q538 L539	S531-Q535 WeakPolarHBondContact O-CG 3.36Å; S531-Q535 PolarHBondContact O-N 2.97Å; L532-Q535 PolarHBondContact O-N 3.45Å; Q535-Q538 PolarHBondContact O-N 3.02Å; Q535-L539 WeakPolarHBondContact O-CG 3.39Å; Q535-L539 PolarHBondContact O-N 3.47Å
536	L	92.3	Very high	83.9	Confident	99 Å²	99	112 Å²	112	52%	0.518	57%	0.57	S	S	.	*	H	α-helix	trans	-60.4	-47.8	176.7	-176.8	64.6	0	0	0	111.5	L532 R533 Q538 L539 E540	L532-L536 WeakPolarHBondContact O-CB 3.35Å; L532-L536 PolarHBondContact O-N 3.13Å; R533-L536 PolarHBondContact O-N 3.44Å; L536-Q538 VanDerWaalsContact C-N 3.26Å; L536-Q538 PolarHBondContact O-N 3Å; L536-L539 PolarHBondContact O-N 3.42Å; L536-E540 WeakPolarHBondContact O-CG 3.49Å; L536-E540 PolarHBondContact O-N 2.92Å
537	A	91.4	Very high	81.8	Confident	47 Å²	47	113.4 Å²	113.4	39%	0.388	58%	0.582	S	S	.	*	H	α-helix	trans	-61.7	-33.3	178.2	0	0	0	0	0	112.9	R533 R534 T541	R533-A537 PolarHBondContact O-N 2.99Å; R534-A537 PolarHBondContact O-N 3.22Å; A537-T541 PolarHBondContact O-N 2.62Å; A537-T541 PolarHBondContact O-OG1 3.35Å
538	Q	90.3	Very high	79.6	Confident	120 Å²	120	113.8 Å²	113.8	56%	0.561	59%	0.588	S	S	*	*	H	α-helix	trans	-69.8	-43.1	175.2	-170.1	167.4	8.5	0	0	111.6	R534 Q535 L536 E540 T541 D542	R534-Q538 PolarHBondContact O-N 3.21Å; Q535-Q538 PolarHBondContact O-N 3.02Å; L536-Q538 VanDerWaalsContact C-N 3.26Å; L536-Q538 PolarHBondContact O-N 3Å; Q538-E540 VanDerWaalsContact C-N 3.31Å; Q538-E540 PolarHBondContact O-N 3.49Å; Q538-T541 WeakPolarHBondContact CA-OG1 3.17Å; Q538-T541 PolarHBondContact O-N 3.3Å; Q538-T541 VanDerWaalsContact O-N 3.16Å; Q538-T541 PolarHBondContact O-OG1 3.45Å; Q538-D542 WeakPolarHBondContact O-CB 3.31Å; Q538-D542 PolarHBondContact O-N 2.75Å
539	L	90	Very high	77.6	Confident	124 Å²	124	116.9 Å²	116.9	65%	0.649	62%	0.622	S	S	*	*	H	α-helix	trans	-64.4	-35.3	175.6	-69.4	171.1	0	0	0	112.6	Q535 L536 T541 D543	Q535-L539 WeakPolarHBondContact O-CG 3.39Å; Q535-L539 PolarHBondContact O-N 3.47Å; L536-L539 PolarHBondContact O-N 3.42Å; L539-T541 VanDerWaalsContact C-N 3.29Å; L539-T541 PolarHBondContact O-N 2.93Å; L539-D543 PolarHBondContact O-N 3.34Å
540	E	86.4	Confident	76.6	Confident	127 Å²	127	119.3 Å²	119.3	59%	0.593	63%	0.632	S	S	*	*	H	α-helix	trans	-69.3	-24.9	175	-72.6	174.7	166.5	0	0	113.1	L536 Q538	L536-E540 WeakPolarHBondContact O-CG 3.49Å; L536-E540 PolarHBondContact O-N 2.92Å; Q538-E540 VanDerWaalsContact C-N 3.31Å; Q538-E540 PolarHBondContact O-N 3.49Å
541	T	79.9	Confident	75.7	Confident	113 Å²	113	121.8 Å²	121.8	69%	0.693	65%	0.645	S	S	*	*	H	α-helix	trans	-90.9	-24.9	178	39.6	0	0	0	0	113.3	A537 Q538 L539 D543	A537-T541 PolarHBondContact O-N 2.62Å; A537-T541 PolarHBondContact O-OG1 3.35Å; Q538-T541 WeakPolarHBondContact CA-OG1 3.17Å; Q538-T541 PolarHBondContact O-N 3.3Å; Q538-T541 VanDerWaalsContact O-N 3.16Å; Q538-T541 PolarHBondContact O-OG1 3.45Å; L539-T541 VanDerWaalsContact C-N 3.29Å; L539-T541 PolarHBondContact O-N 2.93Å; T541-D543 VanDerWaalsContact C-N 3.34Å
542	D	68.9	Low	74.7	Confident	110 Å²	110	125.5 Å²	125.5	59%	0.588	66%	0.66	S	S	*	*	S	Bend	trans	-86.6	0.7	176.2	-72.6	-25.2	0	0	0	113.4	Q538 P544	Q538-D542 WeakPolarHBondContact O-CB 3.31Å; Q538-D542 PolarHBondContact O-N 2.75Å; D542-P544 WeakPolarHBondContact O-CD 3.32Å
543	D	58.1	Low	73.4	Confident	85 Å²	85	127.4 Å²	127.4	46%	0.455	67%	0.669	S	S	.	*			trans	-72	111.5	176.2	-161.7	-11.9	0	0	0	111.1	L539 T541 L545	L539-D543 PolarHBondContact O-N 3.34Å; T541-D543 VanDerWaalsContact C-N 3.34Å; D543-L545 PolarHBondContact O-N 3.24Å; D543-L545 PolarHBondContact OD1-N 3.24Å
544	P	54	Low	72.1	Confident	104 Å²	104	124.7 Å²	124.7	68%	0.675	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-70.4	-3.9	-175.4	-13.5	29.5	0	0	0	114	D542 L546 N547	D542-P544 WeakPolarHBondContact O-CD 3.32Å; P544-L546 VanDerWaalsContact C-N 3.28Å; P544-L546 PolarHBondContact O-N 3.47Å; P544-N547 PolarHBondContact O-N 3.38Å
545	L	55.3	Low	70.7	Confident	142 Å²	142	120.2 Å²	120.2	74%	0.743	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-79.8	-0.7	-174.1	-73.6	164.3	0	0	0	114.9	D543	D543-L545 PolarHBondContact O-N 3.24Å; D543-L545 PolarHBondContact OD1-N 3.24Å
546	L	52.3	Low	69.1	Low	154 Å²	154	121.3 Å²	121.3	81%	0.806	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-98.8	-0.3	172.1	-86	157.3	0	0	0	114.4	P544	P544-L546 VanDerWaalsContact C-N 3.28Å; P544-L546 PolarHBondContact O-N 3.47Å
547	N	48.5	Very low	67.3	Low	155 Å²	155	123 Å²	123	83%	0.829	69%	0.693	S	S	*	*			trans	-114.8	64.4	171.4	-78.5	-36.7	0	0	0	111.1	P544	P544-N547 PolarHBondContact O-N 3.38Å
548	T	48.5	Very low	65.3	Low	115 Å²	115	129.3 Å²	129.3	71%	0.706	72%	0.718	S	S	*	*			trans	-124.2	132	151.6	36.3	0	0	0	0	108.6
549	P	52	Low	63.1	Low	203 Å²	203	130.2 Å²	130.2	100%	1.318	73%	0.732	S	S	*	*			trans	-68.8	0	-158.7	28.7	-36.3	0	0	0	115.2

Retrieved 549 of 549 residues in 1203.6 ms (Link to these results)

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