A0A087X8J9_POEFO Loading...

DNA fragmentation factor subunit beta

Nuclease that induces DNA fragmentation and chromatin condensation during apoptosis. Degrades naked DNA and induces apoptotic morphology.

AlphaFold DB , UniProt , Accession A0A087X8J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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	35.9	Very low	66.1	Low	240 Å²	240	124.6 Å²	124.6	100%	1.182	62%	0.619	S	S	*	*				0	95.8	0	-85.3	-172.4	-91.4	0	0	108.4	G3	M1-G3 PolarHBondContact O-N 3.49Å
2	F	36.6	Very low	68.6	Low	215 Å²	215	121.1 Å²	121.1	94%	0.943	60%	0.597	S	S	*	*			trans	-80.6	109.6	175.1	-81.4	-90.9	0	0	0	108.4	L4	F2-L4 PolarHBondContact O-N 3.46Å
3	G	41.4	Very low	70.7	Confident	62 Å²	62	111.8 Å²	111.8	64%	0.639	55%	0.551	S	S	*	*			trans	-64.4	114.5	172.2	0	0	0	0	0	109.3	M1 F5	M1-G3 PolarHBondContact O-N 3.49Å; G3-F5 PolarHBondContact O-N 3.35Å
4	L	47.3	Very low	72.3	Confident	168 Å²	168	104.7 Å²	104.7	88%	0.88	52%	0.515	S	S	*	.			trans	-54.8	109	164.8	-84.3	138.6	0	0	0	107.7	F2 K6	F2-L4 PolarHBondContact O-N 3.46Å; L4-K6 PolarHBondContact O-N 3.13Å
5	F	50.9	Low	73.5	Confident	206 Å²	206	98.3 Å²	98.3	90%	0.904	49%	0.487	S	S	*	.			trans	-59.1	101.9	169	-76.5	-90	0	0	0	107.4	G3 K7	G3-F5 PolarHBondContact O-N 3.35Å; F5-K7 PolarHBondContact O-N 3.4Å
6	K	61.8	Low	74.4	Confident	136 Å²	136	96.7 Å²	96.7	59%	0.591	47%	0.474	S	S	*	.			trans	-57.9	113.3	172.9	-80.1	-172.3	176	-174.4	0	107.3	L4 N8 K27	L4-K6 PolarHBondContact O-N 3.13Å; K6-N8 PolarHBondContact O-N 3.45Å; K6-K27 HydrophobicContact CB-CB 4.27Å
7	K	80.3	Confident	74.5	Confident	189 Å²	189	96.7 Å²	96.7	82%	0.822	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-56.8	128.4	176.1	-172.3	178.1	177.9	-174.6	0	108.2	F5 K9	F5-K7 PolarHBondContact O-N 3.4Å; K7-K9 PolarHBondContact O-N 3.07Å
8	N	88.8	Confident	74.4	Confident	90 Å²	90	93.1 Å²	93.1	48%	0.481	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-60.6	127.9	176.3	-73	-16.8	0	0	0	109.1	K6 A25	K6-N8 PolarHBondContact O-N 3.45Å; N8-A25 HydrophobicContact CB-CB 4.2Å
9	K	91.6	Very high	74.4	Confident	26 Å²	26	95.6 Å²	95.6	11%	0.113	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.6	176.8	-178.9	166	-67.8	-148.8	0	110.1	K7 V11 A25 S26 F63 P64 L66	K7-K9 PolarHBondContact O-N 3.07Å; K9-V11 HydrophobicContact CD-CG1 4.46Å; K9-V11 HydrophobicContact CG-CG1 4.15Å; K9-A25 WeakPolarHBondContact O-CA 3.27Å; K9-S26 PolarHBondContact N-O 2.85Å; K9-S26 PolarHBondContact O-N 3.46Å; K9-F63 HydrophobicContact CB-CE1 3.98Å; K9-F63 HydrophobicContact CB-CZ 3.95Å; K9-F63 HydrophobicContact CD-CE1 4.43Å; K9-F63 HydrophobicContact CD-CE2 4.39Å; K9-F63 HydrophobicContact CD-CZ 4.27Å; K9-F63 VanDerWaalsContact CD-O 3.24Å; K9-F63 WeakPolarHBondContact CD-O 3.44Å; K9-F63 VanDerWaalsContact CE-O 3.28Å; K9-F63 WeakPolarHBondContact CE-O 3.49Å; K9-F63 HydrophobicContact CG-CZ 4.29Å; K9-F63 PolarHBondContact NZ-O 3.07Å; K9-P64 PolarHBondContact NZ-O 3.42Å; K9-L66 HydrophobicContact CD-CB 4.22Å; K9-L66 PolarHBondContact NZ-O 3.32Å
10	P	96.1	Very high	75	Confident	39 Å²	39	99.3 Å²	99.3	25%	0.253	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.7	172.8	31.7	-32.8	0	0	0	110.2	D68 N69	P10-D68 WeakPolarHBondContact CD-OD1 3.47Å; P10-D68 HydrophobicContact CG-CB 3.91Å; P10-N69 WeakPolarHBondContact O-CA 3.32Å; P10-N69 PolarHBondContact O-N 3.4Å
11	V	96.5	Very high	75.9	Confident	0 Å²	0	98.7 Å²	98.7	0%	0	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.8	174	-65.2	0	0	0	0	110.1	K9 G23 I24 L32 F63 L72	K9-V11 HydrophobicContact CD-CG1 4.46Å; K9-V11 HydrophobicContact CG-CG1 4.15Å; V11-G23 CarbonylContact O-C 3.56Å; V11-G23 WeakPolarHBondContact O-CA 3.34Å; V11-I24 HydrophobicContact CG2-CB 4.49Å; V11-I24 WeakPolarHBondContact CG2-O 3.42Å; V11-I24 PolarHBondContact N-O 3.47Å; V11-I24 PolarHBondContact O-N 3.45Å; V11-L32 HydrophobicContact CG2-CD1 3.52Å; V11-L32 HydrophobicContact CG2-CD2 4.18Å; V11-L32 HydrophobicContact CG2-CG 4.49Å; V11-F63 HydrophobicContact CG1-CE2 3.85Å; V11-F63 HydrophobicContact CG1-CZ 4.34Å; V11-F63 HydrophobicContact CG2-CE2 4.45Å; V11-L72 HydrophobicContact CB-CD1 3.97Å; V11-L72 HydrophobicContact CB-CG 4.45Å; V11-L72 HydrophobicContact CG1-CD1 4.07Å; V11-L72 HydrophobicContact CG2-CD1 4Å
12	K	96.5	Very high	78.6	Confident	82 Å²	82	90.1 Å²	90.1	36%	0.357	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	124	172.3	-68.6	174.6	-179.4	169.9	0	108.8	Y22 C70 E71 L72	K12-Y22 CarbonylContact C-O 3.56Å; K12-Y22 WeakPolarHBondContact CA-O 3.38Å; K12-C70 PolarHBondContact N-O 2.98Å; K12-E71 HydrophobicContact CB-CG 4.3Å; K12-E71 HydrophobicContact CD-CG 4.29Å; K12-E71 CarbonylContact O-C 3.58Å; K12-E71 WeakPolarHBondContact O-CA 3.39Å; K12-L72 PolarHBondContact O-N 2.82Å
13	I	95.3	Very high	81.4	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.9	177.5	-154.2	168	0	0	0	110.9	K21 Y22 I24 L32 L40 V49 L72 L74	I13-K21 CarbonylContact O-C 3.52Å; I13-K21 WeakPolarHBondContact O-CA 3.45Å; I13-Y22 PolarHBondContact N-O 3.32Å; I13-Y22 PolarHBondContact O-N 3.23Å; I13-I24 HydrophobicContact CB-CD1 4.29Å; I13-I24 HydrophobicContact CG2-CD1 3.43Å; I13-I24 VanDerWaalsContact CG2-CD1 3.43Å; I13-I24 HydrophobicContact CG2-CG1 4Å; I13-L32 HydrophobicContact CD1-CD1 4.15Å; I13-L32 HydrophobicContact CD1-CG 4.46Å; I13-L40 HydrophobicContact CG2-CD1 4.5Å; I13-V49 HydrophobicContact CD1-CG1 4.12Å; I13-L72 CarbonylContact C-O 3.47Å; I13-L72 WeakPolarHBondContact CA-O 3.41Å; I13-L74 HydrophobicContact CD1-CB 3.8Å; I13-L74 HydrophobicContact CD1-CD1 4.32Å; I13-L74 HydrophobicContact CD1-CD2 4.25Å; I13-L74 HydrophobicContact CD1-CG 4.36Å; I13-L74 HydrophobicContact CG1-CB 4.02Å
14	R	93.1	Very high	84	Confident	13 Å²	13	80.9 Å²	80.9	5%	0.049	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	158.1	165.9	64.2	175.2	-72.6	-169.2	-5.1	110.4	G18 K21 L72 V73 L74 D87	R14-G18 PolarHBondContact NE-O 3.23Å; R14-G18 PolarHBondContact NH2-O 3.13Å; R14-K21 HydrophobicContact CB-CG 4.27Å; R14-L72 PolarHBondContact N-O 3.38Å; R14-V73 HydrophobicContact CG-CG2 3.99Å; R14-L74 PolarHBondContact O-N 3.05Å; R14-D87 IonicContact CZ-OD1 3.53Å; R14-D87 IonicContact CZ-OD2 3.89Å; R14-D87 IonicContact NH1-OD1 2.72Å; R14-D87 IonicContact NH1-OD2 3.36Å; R14-D87 PolarHBondContact NH1-OD2 2.96Å; R14-D87 IonicContact NH2-OD1 3.55Å; R14-D87 PolarHBondContact NH2-OD1 2.96Å
15	G	91.2	Very high	86.3	Confident	9 Å²	9	75 Å²	75	9%	0.093	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	166.7	169.1	0	0	0	0	0	111.7	S17	G15-S17 PolarHBondContact O-N 3.18Å
16	Y	87	Confident	88.4	Confident	72 Å²	72	65.2 Å²	65.2	28%	0.282	34%	0.344	S	S	.	.	S	Bend	trans	-50.1	-59	177.1	-178.6	-112.2	0	0	0	111.2	L74 L75 T80 W81 R90	Y16-L74 PolarHBondContact N-O 3.12Å; Y16-L75 HydrophobicContact CD2-CD2 3.5Å; Y16-L75 VanDerWaalsContact CD2-CD2 3.5Å; Y16-L75 HydrophobicContact CE2-CD2 4.33Å; Y16-L75 HydrophobicContact CG-CD2 4.24Å; Y16-T80 WeakPolarHBondContact CE2-O 3.37Å; Y16-W81 HydrophobicContact CD2-CE3 4.04Å; Y16-W81 HydrophobicContact CD2-CZ3 4.42Å; Y16-W81 HydrophobicContact CE2-CE3 4.11Å; Y16-R90 VanDerWaalsContact CD1-NH2 3.28Å; Y16-R90 VanDerWaalsContact CE1-NH2 3.28Å; Y16-R90 PolarHBondContact O-NH1 3.26Å; Y16-R90 PolarHBondContact O-NH2 3.01Å
17	S	76	Confident	89.9	Confident	97 Å²	97	63.8 Å²	63.8	68%	0.678	34%	0.337	S	S	*	.	S	Bend	trans	-92.3	-10.8	-172.2	-52.4	0	0	0	0	115.8	G15	G15-S17 PolarHBondContact O-N 3.18Å
18	G	73.3	Confident	90.5	Very high	32 Å²	32	56.3 Å²	56.3	33%	0.33	31%	0.306	S	S	.	.			trans	-94.6	147.1	-175.5	0	0	0	0	0	112.5	R14	R14-G18 PolarHBondContact NE-O 3.23Å; R14-G18 PolarHBondContact NH2-O 3.13Å
19	D	74.5	Confident	90.9	Very high	141 Å²	141	52.5 Å²	52.5	75%	0.754	29%	0.286	S	S	*	.			trans	-87.6	-21.4	174.4	63.8	-21.2	0	0	0	112.8	K21	D19-K21 PolarHBondContact O-N 2.85Å
20	R	86.9	Confident	91	Very high	168 Å²	168	58.8 Å²	58.8	63%	0.634	31%	0.314	S	S	*	.			trans	-66.7	127.4	179.1	-168.3	167.8	179.3	179.4	4.5	112	Y22	R20-Y22 HydrophobicContact CB-CE2 4.24Å; R20-Y22 WeakPolarHBondContact CD-OH 3.38Å; R20-Y22 HydrophobicContact CG-CE1 4.37Å; R20-Y22 HydrophobicContact CG-CE2 3.92Å
21	K	92.2	Very high	91	Very high	88 Å²	88	59.2 Å²	59.2	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	144.9	178.5	-63.8	169.8	-177.3	177.7	0	110.4	I13 R14 D19 E71	I13-K21 CarbonylContact O-C 3.52Å; I13-K21 WeakPolarHBondContact O-CA 3.45Å; R14-K21 HydrophobicContact CB-CG 4.27Å; D19-K21 PolarHBondContact O-N 2.85Å; K21-E71 WeakPolarHBondContact CE-OE1 3.34Å; K21-E71 VanDerWaalsContact CE-OE2 3.27Å; K21-E71 WeakPolarHBondContact CE-OE2 3.29Å; K21-E71 IonicContact NZ-OE1 3.58Å; K21-E71 PolarHBondContact NZ-OE1 3.09Å; K21-E71 IonicContact NZ-OE2 2.92Å; K21-E71 PolarHBondContact NZ-OE2 3.04Å
22	Y	94.1	Very high	91	Very high	60 Å²	60	59.2 Å²	59.2	24%	0.235	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.8	-179.6	-58.3	-94.2	0	0	0	110.7	K12 I13 R20 L39 L40	K12-Y22 CarbonylContact C-O 3.56Å; K12-Y22 WeakPolarHBondContact CA-O 3.38Å; I13-Y22 PolarHBondContact N-O 3.32Å; I13-Y22 PolarHBondContact O-N 3.23Å; R20-Y22 HydrophobicContact CB-CE2 4.24Å; R20-Y22 WeakPolarHBondContact CD-OH 3.38Å; R20-Y22 HydrophobicContact CG-CE1 4.37Å; R20-Y22 HydrophobicContact CG-CE2 3.92Å; Y22-L39 HydrophobicContact CD1-CD1 4.15Å; Y22-L39 HydrophobicContact CD1-CD2 3.53Å; Y22-L39 HydrophobicContact CD1-CG 3.96Å; Y22-L39 HydrophobicContact CD2-CD2 4.04Å; Y22-L39 HydrophobicContact CE1-CD1 4.3Å; Y22-L39 HydrophobicContact CE1-CD2 4.28Å; Y22-L39 HydrophobicContact CE1-CG 4.23Å; Y22-L39 HydrophobicContact CG-CD2 3.35Å; Y22-L39 HydrophobicContact CG-CG 4.09Å; Y22-L40 HydrophobicContact CD2-CD2 4.02Å; Y22-L40 HydrophobicContact CE2-CD2 3.56Å
23	G	95.9	Very high	91	Very high	70 Å²	70	56.7 Å²	56.7	72%	0.722	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	126	173.3	0	0	0	0	0	111.1	V11	V11-G23 CarbonylContact O-C 3.56Å; V11-G23 WeakPolarHBondContact O-CA 3.34Å
24	I	95.6	Very high	91	Very high	13 Å²	13	63.5 Å²	63.5	7%	0.067	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	129.6	174.1	-61	-173.8	0	0	0	108.7	V11 I13 S26 L32 K35 L39	V11-I24 HydrophobicContact CG2-CB 4.49Å; V11-I24 WeakPolarHBondContact CG2-O 3.42Å; V11-I24 PolarHBondContact N-O 3.47Å; V11-I24 PolarHBondContact O-N 3.45Å; I13-I24 HydrophobicContact CB-CD1 4.29Å; I13-I24 HydrophobicContact CG2-CD1 3.43Å; I13-I24 VanDerWaalsContact CG2-CD1 3.43Å; I13-I24 HydrophobicContact CG2-CG1 4Å; I24-S26 WeakPolarHBondContact CG2-OG 3.45Å; I24-L32 HydrophobicContact CB-CD1 4.06Å; I24-L32 HydrophobicContact CD1-CD1 4.32Å; I24-L32 HydrophobicContact CG2-CD1 3.84Å; I24-K35 HydrophobicContact CD1-CB 4.07Å; I24-K35 HydrophobicContact CG2-CB 4Å; I24-K35 HydrophobicContact CG2-CD 3.75Å; I24-L39 HydrophobicContact CD1-CD2 4.24Å
25	A	95.6	Very high	91.2	Very high	45 Å²	45	66.5 Å²	66.5	37%	0.372	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.2	167.2	0	0	0	0	0	109.4	N8 K9 K35	N8-A25 HydrophobicContact CB-CB 4.2Å; K9-A25 WeakPolarHBondContact O-CA 3.27Å; A25-K35 PolarHBondContact O-NZ 3.23Å
26	S	94.2	Very high	91.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151	-178.9	-67.2	0	0	0	0	112.4	K9 I24 E31 L32	K9-S26 PolarHBondContact N-O 2.85Å; K9-S26 PolarHBondContact O-N 3.46Å; I24-S26 WeakPolarHBondContact CG2-OG 3.45Å; S26-E31 VanDerWaalsContact CA-OE2 3.23Å; S26-E31 WeakPolarHBondContact CA-OE2 3.35Å; S26-L32 VanDerWaalsContact OG-CA 3.31Å; S26-L32 WeakPolarHBondContact OG-CA 3.44Å; S26-L32 PolarHBondContact OG-N 2.96Å
27	K	93.4	Very high	91.8	Very high	106 Å²	106	62.8 Å²	62.8	46%	0.461	33%	0.328	S	S	.	.	S	Bend	trans	-83.2	-25.2	176.1	52.7	163.4	-177.5	-171.3	0	113.9	K6 E31	K6-K27 HydrophobicContact CB-CB 4.27Å; K27-E31 WeakPolarHBondContact CG-OE2 3.49Å; K27-E31 PolarHBondContact N-OE2 3.24Å
28	D	94	Very high	92.7	Very high	31 Å²	31	67 Å²	67	17%	0.166	33%	0.334	C	S	.	.	S	Bend	trans	-154.3	168.2	-175.2	56.3	47.5	0	0	0	111.3	K30 E31 L32 E60	D28-K30 PolarHBondContact OD1-N 3.17Å; D28-E31 PolarHBondContact O-N 3.45Å; D28-E31 WeakPolarHBondContact OD1-CB 3.47Å; D28-E31 PolarHBondContact OD1-N 2.72Å; D28-L32 PolarHBondContact O-N 3.07Å; D28-L32 VanDerWaalsContact O-N 3.08Å; D28-E60 WeakPolarHBondContact CB-OE2 3.03Å
29	V	95.2	Very high	93.6	Very high	10 Å²	10	69.1 Å²	69.1	6%	0.061	34%	0.338	C	S	.	.	H	α-helix	trans	-67.5	-38.2	-177	178.6	0	0	0	0	111	E31 L32 I33 V49 V58 E60 F63	V29-E31 VanDerWaalsContact C-N 3.34Å; V29-E31 PolarHBondContact O-N 3.28Å; V29-L32 WeakPolarHBondContact O-CB 3.4Å; V29-L32 PolarHBondContact O-N 3.24Å; V29-I33 HydrophobicContact CG1-CD1 3.72Å; V29-I33 HydrophobicContact CG1-CG1 4.16Å; V29-I33 WeakPolarHBondContact O-CG1 3.23Å; V29-I33 PolarHBondContact O-N 3.37Å; V29-V49 HydrophobicContact CG1-CG2 3.69Å; V29-V58 HydrophobicContact CG2-CG1 4.04Å; V29-E60 HydrophobicContact CB-CG 4.33Å; V29-E60 PolarHBondContact N-OE1 2.71Å; V29-E60 PolarHBondContact N-OE2 3.1Å; V29-F63 HydrophobicContact CG2-CB 3.44Å; V29-F63 VanDerWaalsContact CG2-CB 3.44Å; V29-F63 HydrophobicContact CG2-CD1 4.36Å; V29-F63 HydrophobicContact CG2-CD2 4.16Å; V29-F63 HydrophobicContact CG2-CG 3.75Å
30	K	94.6	Very high	94.4	Very high	159 Å²	159	64.2 Å²	64.2	69%	0.691	31%	0.311	S	S	*	.	H	α-helix	trans	-56.1	-46.3	175.1	-74.4	171.9	-172.1	-179.8	0	112.4	D28 K34 E60	D28-K30 PolarHBondContact OD1-N 3.17Å; K30-K34 WeakPolarHBondContact O-CB 3.45Å; K30-K34 PolarHBondContact O-N 3.28Å; K30-E60 WeakPolarHBondContact CG-OE1 3.32Å; K30-E60 PolarHBondContact N-OE1 3.01Å; K30-E60 VanDerWaalsContact N-OE1 3.12Å
31	E	96	Very high	94.6	Very high	47 Å²	47	64.9 Å²	64.9	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-42.1	177.2	-170.3	-167.9	-162.8	0	0	111.5	S26 K27 D28 V29 K34 K35	S26-E31 VanDerWaalsContact CA-OE2 3.23Å; S26-E31 WeakPolarHBondContact CA-OE2 3.35Å; K27-E31 WeakPolarHBondContact CG-OE2 3.49Å; K27-E31 PolarHBondContact N-OE2 3.24Å; D28-E31 PolarHBondContact O-N 3.45Å; D28-E31 WeakPolarHBondContact OD1-CB 3.47Å; D28-E31 PolarHBondContact OD1-N 2.72Å; V29-E31 VanDerWaalsContact C-N 3.34Å; V29-E31 PolarHBondContact O-N 3.28Å; E31-K34 PolarHBondContact O-N 2.96Å; E31-K35 HydrophobicContact CG-CD 4.21Å; E31-K35 HydrophobicContact CG-CG 4.45Å; E31-K35 WeakPolarHBondContact O-CG 3.31Å; E31-K35 PolarHBondContact O-N 2.84Å; E31-K35 WeakPolarHBondContact OE1-CE 3.21Å; E31-K35 IonicContact OE1-NZ 3.16Å; E31-K35 PolarHBondContact OE1-NZ 3.32Å; E31-K35 IonicContact OE2-NZ 3.51Å
32	L	96.2	Very high	94.5	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-56.1	-50.8	174.5	173.7	64.3	0	0	0	111.9	V11 I13 I24 S26 D28 V29 K34 K35 G36 V49 F63 L72	V11-L32 HydrophobicContact CG2-CD1 3.52Å; V11-L32 HydrophobicContact CG2-CD2 4.18Å; V11-L32 HydrophobicContact CG2-CG 4.49Å; I13-L32 HydrophobicContact CD1-CD1 4.15Å; I13-L32 HydrophobicContact CD1-CG 4.46Å; I24-L32 HydrophobicContact CB-CD1 4.06Å; I24-L32 HydrophobicContact CD1-CD1 4.32Å; I24-L32 HydrophobicContact CG2-CD1 3.84Å; S26-L32 VanDerWaalsContact OG-CA 3.31Å; S26-L32 WeakPolarHBondContact OG-CA 3.44Å; S26-L32 PolarHBondContact OG-N 2.96Å; D28-L32 PolarHBondContact O-N 3.07Å; D28-L32 VanDerWaalsContact O-N 3.08Å; V29-L32 WeakPolarHBondContact O-CB 3.4Å; V29-L32 PolarHBondContact O-N 3.24Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3.17Å; L32-K35 PolarHBondContact O-N 3.43Å; L32-G36 PolarHBondContact O-N 2.93Å; L32-V49 HydrophobicContact CD2-CG1 4.37Å; L32-V49 HydrophobicContact CD2-CG2 4.19Å; L32-F63 HydrophobicContact CD2-CD2 4.33Å; L32-F63 HydrophobicContact CD2-CE2 3.73Å; L32-F63 HydrophobicContact CD2-CZ 4.36Å; L32-L72 HydrophobicContact CD2-CD1 3.46Å; L32-L72 VanDerWaalsContact CD2-CD1 3.46Å
33	I	96.6	Very high	94.4	Very high	29 Å²	29	64.3 Å²	64.3	15%	0.149	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-44.4	177.9	-69.3	168.7	0	0	0	109.7	V29 K35 G36 C37 L44 A47 V49 L74	V29-I33 HydrophobicContact CG1-CD1 3.72Å; V29-I33 HydrophobicContact CG1-CG1 4.16Å; V29-I33 WeakPolarHBondContact O-CG1 3.23Å; V29-I33 PolarHBondContact O-N 3.37Å; I33-K35 PolarHBondContact O-N 3.37Å; I33-G36 PolarHBondContact O-N 3.29Å; I33-C37 VanDerWaalsContact O-CB 3.27Å; I33-C37 WeakPolarHBondContact O-CB 3.43Å; I33-C37 PolarHBondContact O-N 3.16Å; I33-C37 PolarHBondContact O-SG 2.91Å; I33-C37 VanDerWaalsContact O-SG 3.37Å; I33-L44 HydrophobicContact CG2-CD2 4.4Å; I33-A47 HydrophobicContact CG2-CB 3.7Å; I33-V49 HydrophobicContact CD1-CG2 4.43Å; I33-V49 HydrophobicContact CG1-CG1 4.08Å; I33-V49 HydrophobicContact CG1-CG2 4.21Å; I33-L74 HydrophobicContact CG1-CD1 4.49Å; I33-L74 HydrophobicContact CG2-CD1 4.48Å
34	K	96.6	Very high	94.3	Very high	143 Å²	143	65.8 Å²	65.8	62%	0.622	32%	0.322	S	S	*	.	H	α-helix	trans	-59.9	-47.4	179.4	-170.8	178.1	-179.6	178.9	0	112.6	K30 E31 L32 K38 L44	K30-K34 WeakPolarHBondContact O-CB 3.45Å; K30-K34 PolarHBondContact O-N 3.28Å; E31-K34 PolarHBondContact O-N 2.96Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 3.17Å; K34-K38 PolarHBondContact O-N 3.39Å; K34-L44 HydrophobicContact CB-CD2 4.37Å; K34-L44 HydrophobicContact CG-CD2 4.43Å
35	K	96.4	Very high	94.1	Very high	77 Å²	77	69 Å²	69	34%	0.335	35%	0.346	S	S	.	.	H	α-helix	trans	-66.3	-44.5	177.6	-71.5	179.5	-177.3	168.2	0	111.3	I24 A25 E31 L32 I33 K38 L39	I24-K35 HydrophobicContact CD1-CB 4.07Å; I24-K35 HydrophobicContact CG2-CB 4Å; I24-K35 HydrophobicContact CG2-CD 3.75Å; A25-K35 PolarHBondContact O-NZ 3.23Å; E31-K35 HydrophobicContact CG-CD 4.21Å; E31-K35 HydrophobicContact CG-CG 4.45Å; E31-K35 WeakPolarHBondContact O-CG 3.31Å; E31-K35 PolarHBondContact O-N 2.84Å; E31-K35 WeakPolarHBondContact OE1-CE 3.21Å; E31-K35 IonicContact OE1-NZ 3.16Å; E31-K35 PolarHBondContact OE1-NZ 3.32Å; E31-K35 IonicContact OE2-NZ 3.51Å; L32-K35 PolarHBondContact O-N 3.43Å; I33-K35 PolarHBondContact O-N 3.37Å; K35-K38 PolarHBondContact O-N 2.93Å; K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 2.84Å
36	G	95.1	Very high	93.9	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-49.4	179.1	0	0	0	0	0	112.9	L32 I33 K38 L39 L40	L32-G36 PolarHBondContact O-N 2.93Å; I33-G36 PolarHBondContact O-N 3.29Å; G36-K38 VanDerWaalsContact C-N 3.33Å; G36-K38 PolarHBondContact O-N 2.91Å; G36-L39 PolarHBondContact O-N 2.91Å; G36-L39 VanDerWaalsContact O-N 3.16Å; G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 PolarHBondContact O-N 3.2Å
37	C	94.9	Very high	94	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.02	35%	0.35	C	S	.	.	H	α-helix	trans	-60.1	-42.8	177.5	-77.8	0	0	0	0	111.7	I33 L39 Q41 L42 L44 A47 L74	I33-C37 VanDerWaalsContact O-CB 3.27Å; I33-C37 WeakPolarHBondContact O-CB 3.43Å; I33-C37 PolarHBondContact O-N 3.16Å; I33-C37 PolarHBondContact O-SG 2.91Å; I33-C37 VanDerWaalsContact O-SG 3.37Å; C37-L39 VanDerWaalsContact C-N 3.33Å; C37-L39 PolarHBondContact O-N 3.41Å; C37-Q41 CarbonylContact O-C 3.58Å; C37-Q41 VanDerWaalsContact O-CA 3.31Å; C37-Q41 WeakPolarHBondContact O-CA 3.31Å; C37-Q41 PolarHBondContact O-N 3.05Å; C37-L42 WeakPolarHBondContact CB-O 3.3Å; C37-L42 PolarHBondContact O-N 2.75Å; C37-L44 HydrophobicContact CB-CD2 3.55Å; C37-L44 HydrophobicContact CB-CG 4.08Å; C37-A47 VanDerWaalsContact SG-CB 3.53Å; C37-L74 HydrophobicContact CB-CD2 4.48Å
38	K	94.8	Very high	94.1	Very high	184 Å²	184	66.4 Å²	66.4	80%	0.8	34%	0.339	S	S	*	.	H	α-helix	trans	-61.3	-43.5	175.5	-175.3	-179	179.3	-177.2	0	111.5	K34 K35 G36	K34-K38 PolarHBondContact O-N 3.39Å; K35-K38 PolarHBondContact O-N 2.93Å; G36-K38 VanDerWaalsContact C-N 3.33Å; G36-K38 PolarHBondContact O-N 2.91Å
39	L	93.4	Very high	94.2	Very high	77 Å²	77	65 Å²	65	40%	0.403	33%	0.331	S	S	.	.	H	α-helix	trans	-70.7	-41	-176.2	-173.4	63.8	0	0	0	112.8	Y22 I24 K35 G36 C37 Q41	Y22-L39 HydrophobicContact CD1-CD1 4.15Å; Y22-L39 HydrophobicContact CD1-CD2 3.53Å; Y22-L39 HydrophobicContact CD1-CG 3.96Å; Y22-L39 HydrophobicContact CD2-CD2 4.04Å; Y22-L39 HydrophobicContact CE1-CD1 4.3Å; Y22-L39 HydrophobicContact CE1-CD2 4.28Å; Y22-L39 HydrophobicContact CE1-CG 4.23Å; Y22-L39 HydrophobicContact CG-CD2 3.35Å; Y22-L39 HydrophobicContact CG-CG 4.09Å; I24-L39 HydrophobicContact CD1-CD2 4.24Å; K35-L39 WeakPolarHBondContact O-CB 3.44Å; K35-L39 PolarHBondContact O-N 2.84Å; G36-L39 PolarHBondContact O-N 2.91Å; G36-L39 VanDerWaalsContact O-N 3.16Å; C37-L39 VanDerWaalsContact C-N 3.33Å; C37-L39 PolarHBondContact O-N 3.41Å; L39-Q41 VanDerWaalsContact C-N 3.35Å
40	L	90.5	Very high	94.3	Very high	38 Å²	38	64.6 Å²	64.6	20%	0.199	33%	0.329	C	S	.	.	H	α-helix	trans	-92.2	3.3	-178.5	-66.4	167.3	0	0	0	112.9	I13 Y22 G36 L42 L74	I13-L40 HydrophobicContact CG2-CD1 4.5Å; Y22-L40 HydrophobicContact CD2-CD2 4.02Å; Y22-L40 HydrophobicContact CE2-CD2 3.56Å; G36-L40 WeakPolarHBondContact O-CB 3.47Å; G36-L40 PolarHBondContact O-N 3.2Å; L40-L42 VanDerWaalsContact C-N 3.29Å; L40-L42 HydrophobicContact CB-CD1 4.08Å; L40-L42 HydrophobicContact CB-CG 4.1Å; L40-L42 PolarHBondContact O-N 3.39Å; L40-L74 HydrophobicContact CD1-CB 3.96Å; L40-L74 HydrophobicContact CD1-CD2 3.8Å
41	Q	91.5	Very high	94.3	Very high	183 Å²	183	57.9 Å²	57.9	86%	0.855	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	42.2	-177.7	-55.5	-179.2	7.8	0	0	113.3	C37 L39	C37-Q41 CarbonylContact O-C 3.58Å; C37-Q41 VanDerWaalsContact O-CA 3.31Å; C37-Q41 WeakPolarHBondContact O-CA 3.31Å; C37-Q41 PolarHBondContact O-N 3.05Å; L39-Q41 VanDerWaalsContact C-N 3.35Å
42	L	90.1	Very high	94.1	Very high	52 Å²	52	57.8 Å²	57.8	27%	0.272	30%	0.298	S	S	.	.			trans	-103.8	149.7	179.9	-67.5	177.1	0	0	0	111.7	C37 L40 L74	C37-L42 WeakPolarHBondContact CB-O 3.3Å; C37-L42 PolarHBondContact O-N 2.75Å; L40-L42 VanDerWaalsContact C-N 3.29Å; L40-L42 HydrophobicContact CB-CD1 4.08Å; L40-L42 HydrophobicContact CB-CG 4.1Å; L40-L42 PolarHBondContact O-N 3.39Å; L42-L74 HydrophobicContact CD1-CD2 3.95Å; L42-L74 HydrophobicContact CD1-CG 4.12Å
43	P	92	Very high	93.8	Very high	83 Å²	83	65.1 Å²	65.1	54%	0.539	33%	0.333	S	S	.	.			trans	-66.5	137.9	177.2	28.2	-33.9	0	0	0	110.9	S45	P43-S45 VanDerWaalsContact C-N 3.33Å
44	L	92.8	Very high	93.5	Very high	101 Å²	101	67.8 Å²	67.8	53%	0.529	35%	0.347	S	S	.	.	S	Bend	trans	-69.7	-29.9	177.1	-72.6	163.7	0	0	0	112.8	I33 K34 C37 G46 A47	I33-L44 HydrophobicContact CG2-CD2 4.4Å; K34-L44 HydrophobicContact CB-CD2 4.37Å; K34-L44 HydrophobicContact CG-CD2 4.43Å; C37-L44 HydrophobicContact CB-CD2 3.55Å; C37-L44 HydrophobicContact CB-CG 4.08Å; L44-G46 PolarHBondContact O-N 3.38Å; L44-A47 WeakPolarHBondContact O-CB 3.47Å; L44-A47 PolarHBondContact O-N 2.95Å
45	S	93.2	Very high	93.3	Very high	82 Å²	82	61.7 Å²	61.7	57%	0.573	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	116.5	-175.7	-178.1	0	0	0	0	111.4	P43 A47 R77	P43-S45 VanDerWaalsContact C-N 3.33Å; S45-A47 PolarHBondContact O-N 3.26Å; S45-R77 PolarHBondContact OG-NH2 2.65Å
46	G	91.2	Very high	93.1	Very high	32 Å²	32	60.9 Å²	60.9	33%	0.33	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	11.2	-177.7	0	0	0	0	0	114.2	L44 H48 R77	L44-G46 PolarHBondContact O-N 3.38Å; G46-H48 PolarHBondContact O-ND1 3.42Å; G46-R77 PolarHBondContact O-N 3.01Å
47	A	95.7	Very high	93.1	Very high	16 Å²	16	66 Å²	66	13%	0.132	35%	0.353	C	S	.	.			trans	-70.8	139.8	172.7	0	0	0	0	0	111	I33 C37 L44 S45 L74 L75	I33-A47 HydrophobicContact CG2-CB 3.7Å; C37-A47 VanDerWaalsContact SG-CB 3.53Å; L44-A47 WeakPolarHBondContact O-CB 3.47Å; L44-A47 PolarHBondContact O-N 2.95Å; S45-A47 PolarHBondContact O-N 3.26Å; A47-L74 HydrophobicContact CB-CD1 4.5Å; A47-L75 VanDerWaalsContact CA-O 3.26Å; A47-L75 WeakPolarHBondContact CA-O 3.48Å
48	H	96	Very high	93.2	Very high	48 Å²	48	66.1 Å²	66.1	22%	0.222	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	164.2	178	59.1	-74.9	0	0	0	109.9	G46 L75 S76 Q79	G46-H48 PolarHBondContact O-ND1 3.42Å; H48-L75 PolarHBondContact N-O 2.98Å; H48-L75 WeakPolarHBondContact NE2-CB 3.29Å; H48-L75 WeakPolarHBondContact NE2-CD1 3.31Å; H48-L75 PolarHBondContact O-N 3.03Å; H48-S76 PolarHBondContact CE1-O 2.66Å; H48-Q79 PolarHBondContact CE1-O 3.38Å; H48-Q79 PolarHBondContact NE2-O 2.93Å
49	V	96.3	Very high	93.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.5	-179	-74.6	0	0	0	0	110.7	I13 V29 L32 I33 V58 V73 L74	I13-V49 HydrophobicContact CD1-CG1 4.12Å; V29-V49 HydrophobicContact CG1-CG2 3.69Å; L32-V49 HydrophobicContact CD2-CG1 4.37Å; L32-V49 HydrophobicContact CD2-CG2 4.19Å; I33-V49 HydrophobicContact CD1-CG2 4.43Å; I33-V49 HydrophobicContact CG1-CG1 4.08Å; I33-V49 HydrophobicContact CG1-CG2 4.21Å; V49-V58 HydrophobicContact CG2-CB 4.01Å; V49-V58 PolarHBondContact O-N 2.94Å; V49-V73 WeakPolarHBondContact CA-O 3.36Å; V49-L74 HydrophobicContact CG1-CD1 3.61Å
50	C	95.8	Very high	93.2	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	165.4	173.6	67	0	0	0	0	110.7	G55 T56 L72 V73 W81	C50-G55 WeakPolarHBondContact CB-O 3.19Å; C50-T56 CarbonylContact C-O 3.59Å; C50-T56 WeakPolarHBondContact CA-O 3.31Å; C50-T56 VanDerWaalsContact CB-O 3.29Å; C50-T56 WeakPolarHBondContact CB-O 3.29Å; C50-L72 CarbonylContact O-C 3.53Å; C50-L72 VanDerWaalsContact O-CA 3.28Å; C50-L72 WeakPolarHBondContact O-CA 3.32Å; C50-V73 PolarHBondContact N-O 2.8Å; C50-V73 VanDerWaalsContact N-O 3.16Å; C50-V73 PolarHBondContact O-N 3.39Å; C50-W81 WeakPolarHBondContact SG-CB 3.36Å
51	L	94.7	Very high	93.4	Very high	19 Å²	19	67 Å²	67	10%	0.099	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	142.2	170.4	-60.8	-176.6	0	0	0	110.6	E53 D54 G55 T56 V58 F62 L66 L72	L51-E53 VanDerWaalsContact C-N 3.34Å; L51-D54 WeakPolarHBondContact CB-OD1 3.46Å; L51-G55 WeakPolarHBondContact O-CA 3.42Å; L51-G55 PolarHBondContact O-N 2.89Å; L51-G55 VanDerWaalsContact O-N 3.1Å; L51-T56 PolarHBondContact N-O 3.44Å; L51-V58 HydrophobicContact CD2-CG2 4Å; L51-V58 HydrophobicContact CG-CG2 4.3Å; L51-F62 HydrophobicContact CD1-CE1 3.84Å; L51-F62 HydrophobicContact CD1-CZ 3.97Å; L51-F62 HydrophobicContact CD2-CE1 4.25Å; L51-F62 HydrophobicContact CG-CE1 4.09Å; L51-L66 HydrophobicContact CD2-CD1 4.45Å; L51-L66 HydrophobicContact CD2-CD2 3.7Å; L51-L72 HydrophobicContact CD2-CD2 3.67Å
52	Y	92.5	Very high	93.5	Very high	44 Å²	44	61.3 Å²	61.3	17%	0.173	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.2	174.4	173.2	-106.7	0	0	0	112.8	E71 V73 W81 G83 V84 D87	Y52-E71 WeakPolarHBondContact CB-O 3.3Å; Y52-E71 HydrophobicContact CG-CB 4.46Å; Y52-E71 PolarHBondContact N-O 2.78Å; Y52-V73 HydrophobicContact CD2-CG2 3.86Å; Y52-V73 HydrophobicContact CG-CG2 4.49Å; Y52-W81 AromaticContact CD2-CE2 3.98Å; Y52-W81 HydrophobicContact CD2-CH2 4.35Å; Y52-W81 AromaticContact CD2-CZ2 3.51Å; Y52-W81 HydrophobicContact CD2-CZ2 3.51Å; Y52-W81 AromaticContact CE2-CH2 4Å; Y52-W81 HydrophobicContact CE2-CH2 4Å; Y52-W81 AromaticContact CE2-CZ2 3.36Å; Y52-W81 HydrophobicContact CE2-CZ2 3.36Å; Y52-W81 PolarHBondContact O-NE1 3.14Å; Y52-G83 WeakPolarHBondContact O-CA 3.4Å; Y52-V84 HydrophobicContact CE1-CG2 4.03Å; Y52-D87 VanDerWaalsContact CE2-OD2 3.24Å; Y52-D87 WeakPolarHBondContact CE2-OD2 3.49Å; Y52-D87 PolarHBondContact OH-OD2 2.71Å
53	E	89.1	Confident	93.8	Very high	155 Å²	155	59 Å²	59	72%	0.724	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-48.6	-172.2	-174.5	170.3	-174.7	0	0	112.7	L51 G83 V84	L51-E53 VanDerWaalsContact C-N 3.34Å; E53-G83 WeakPolarHBondContact O-CA 3.41Å; E53-V84 PolarHBondContact O-N 2.99Å
54	D	89.9	Confident	93.8	Very high	85 Å²	85	58.9 Å²	58.9	46%	0.455	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-10	-168.3	65.3	-2	0	0	0	114.2	L51 T56	L51-D54 WeakPolarHBondContact CB-OD1 3.46Å; D54-T56 VanDerWaalsContact OD1-CB 3.32Å; D54-T56 WeakPolarHBondContact OD1-CB 3.31Å; D54-T56 PolarHBondContact OD1-N 2.98Å; D54-T56 PolarHBondContact OD1-OG1 3.34Å; D54-T56 VanDerWaalsContact OD1-OG1 3.12Å; D54-T56 PolarHBondContact OD2-OG1 2.96Å
55	G	92.4	Very high	93.8	Very high	14 Å²	14	58.6 Å²	58.6	14%	0.144	32%	0.324	C	S	.	.			trans	82	10	-176	0	0	0	0	0	115.5	C50 L51 I57 W81	C50-G55 WeakPolarHBondContact CB-O 3.19Å; L51-G55 WeakPolarHBondContact O-CA 3.42Å; L51-G55 PolarHBondContact O-N 2.89Å; L51-G55 VanDerWaalsContact O-N 3.1Å; G55-I57 PolarHBondContact O-N 3.42Å; G55-W81 WeakPolarHBondContact CA-O 3.17Å
56	T	93.9	Very high	93.9	Very high	61 Å²	61	55.1 Å²	55.1	37%	0.374	30%	0.299	S	S	.	.			trans	-58.7	122.5	175.6	-66.7	0	0	0	0	110.5	C50 L51 D54 V58 F62	C50-T56 CarbonylContact C-O 3.59Å; C50-T56 WeakPolarHBondContact CA-O 3.31Å; C50-T56 VanDerWaalsContact CB-O 3.29Å; C50-T56 WeakPolarHBondContact CB-O 3.29Å; L51-T56 PolarHBondContact N-O 3.44Å; D54-T56 VanDerWaalsContact OD1-CB 3.32Å; D54-T56 WeakPolarHBondContact OD1-CB 3.31Å; D54-T56 PolarHBondContact OD1-N 2.98Å; D54-T56 PolarHBondContact OD1-OG1 3.34Å; D54-T56 VanDerWaalsContact OD1-OG1 3.12Å; D54-T56 PolarHBondContact OD2-OG1 2.96Å; T56-V58 PolarHBondContact O-N 3.23Å; T56-F62 HydrophobicContact CG2-CD1 4.45Å; T56-F62 HydrophobicContact CG2-CE1 3.95Å
57	I	95.1	Very high	94	Very high	107 Å²	107	57.9 Å²	57.9	55%	0.549	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-64.9	129.7	-179.5	-63	173.6	0	0	0	109.3	G55 T59	G55-I57 PolarHBondContact O-N 3.42Å; I57-T59 PolarHBondContact O-N 3.05Å
58	V	96	Very high	93.9	Very high	6 Å²	6	62 Å²	62	4%	0.036	33%	0.331	C	S	.	.			trans	-87.5	108	179.3	178.8	0	0	0	0	110	V29 V49 L51 T56 F62 F63 L66 L72	V29-V58 HydrophobicContact CG2-CG1 4.04Å; V49-V58 HydrophobicContact CG2-CB 4.01Å; V49-V58 PolarHBondContact O-N 2.94Å; L51-V58 HydrophobicContact CD2-CG2 4Å; L51-V58 HydrophobicContact CG-CG2 4.3Å; T56-V58 PolarHBondContact O-N 3.23Å; V58-F62 HydrophobicContact CG1-CD1 4.49Å; V58-F62 HydrophobicContact CG2-CD1 4.21Å; V58-F62 HydrophobicContact CG2-CE1 4.4Å; V58-F63 HydrophobicContact CG1-CB 3.87Å; V58-F63 HydrophobicContact CG1-CD2 3.95Å; V58-F63 HydrophobicContact CG1-CG 4.41Å; V58-L66 HydrophobicContact CG1-CD1 3.96Å; V58-L66 HydrophobicContact CG2-CD1 4.22Å; V58-L72 HydrophobicContact CG2-CD2 3.87Å
59	T	95.1	Very high	93.8	Very high	70 Å²	70	63.8 Å²	63.8	43%	0.429	34%	0.342	S	S	.	.			trans	-88.5	166.6	173.7	67.7	0	0	0	0	111.3	I57 E61 F62 F63	I57-T59 PolarHBondContact O-N 3.05Å; T59-E61 PolarHBondContact O-N 3.13Å; T59-F62 PolarHBondContact O-N 3.37Å; T59-F62 WeakPolarHBondContact OG1-CB 3.49Å; T59-F62 PolarHBondContact OG1-N 2.8Å; T59-F63 WeakPolarHBondContact O-CB 3.15Å; T59-F63 PolarHBondContact O-N 3.15Å
60	E	94.3	Very high	93.7	Very high	72 Å²	72	65 Å²	65	34%	0.336	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-27.5	176.6	-68.4	-70.3	-173.1	0	0	113.2	D28 V29 K30 P64	D28-E60 WeakPolarHBondContact CB-OE2 3.03Å; V29-E60 HydrophobicContact CB-CG 4.33Å; V29-E60 PolarHBondContact N-OE1 2.71Å; V29-E60 PolarHBondContact N-OE2 3.1Å; K30-E60 WeakPolarHBondContact CG-OE1 3.32Å; K30-E60 PolarHBondContact N-OE1 3.01Å; K30-E60 VanDerWaalsContact N-OE1 3.12Å; E60-P64 WeakPolarHBondContact O-CD 3.42Å
61	E	93.6	Very high	93.6	Very high	174 Å²	174	67.5 Å²	67.5	81%	0.813	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-32.6	177.8	-64.4	176.5	-173.7	0	0	112	T59 P64	T59-E61 PolarHBondContact O-N 3.13Å; E61-P64 WeakPolarHBondContact O-CD 3.2Å
62	F	93.9	Very high	93.7	Very high	65 Å²	65	66.6 Å²	66.6	29%	0.285	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-32.3	-179.9	-174.9	-136.6	0	0	0	112.7	L51 T56 V58 T59 P64 T65 L66	L51-F62 HydrophobicContact CD1-CE1 3.84Å; L51-F62 HydrophobicContact CD1-CZ 3.97Å; L51-F62 HydrophobicContact CD2-CE1 4.25Å; L51-F62 HydrophobicContact CG-CE1 4.09Å; T56-F62 HydrophobicContact CG2-CD1 4.45Å; T56-F62 HydrophobicContact CG2-CE1 3.95Å; V58-F62 HydrophobicContact CG1-CD1 4.49Å; V58-F62 HydrophobicContact CG2-CD1 4.21Å; V58-F62 HydrophobicContact CG2-CE1 4.4Å; T59-F62 PolarHBondContact O-N 3.37Å; T59-F62 WeakPolarHBondContact OG1-CB 3.49Å; T59-F62 PolarHBondContact OG1-N 2.8Å; F62-P64 VanDerWaalsContact C-CD 3.49Å; F62-T65 WeakPolarHBondContact CD2-OG1 3.47Å; F62-T65 WeakPolarHBondContact CE2-OG1 3.18Å; F62-T65 PolarHBondContact O-N 3.24Å; F62-T65 PolarHBondContact O-OG1 3.43Å; F62-L66 HydrophobicContact CD1-CD2 4.07Å; F62-L66 HydrophobicContact CD2-CD2 4.48Å; F62-L66 HydrophobicContact CE1-CD2 3.61Å; F62-L66 HydrophobicContact CE2-CD2 4.06Å; F62-L66 HydrophobicContact CG-CD2 4.48Å; F62-L66 HydrophobicContact CZ-CD2 3.59Å
63	F	95.4	Very high	93.8	Very high	4 Å²	4	64.5 Å²	64.5	2%	0.018	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-53.7	-42.6	-177.9	-175.9	-110.7	0	0	0	114.4	K9 V11 V29 L32 V58 T59 T65 L66 L72	K9-F63 HydrophobicContact CB-CE1 3.98Å; K9-F63 HydrophobicContact CB-CZ 3.95Å; K9-F63 HydrophobicContact CD-CE1 4.43Å; K9-F63 HydrophobicContact CD-CE2 4.39Å; K9-F63 HydrophobicContact CD-CZ 4.27Å; K9-F63 VanDerWaalsContact CD-O 3.24Å; K9-F63 WeakPolarHBondContact CD-O 3.44Å; K9-F63 VanDerWaalsContact CE-O 3.28Å; K9-F63 WeakPolarHBondContact CE-O 3.49Å; K9-F63 HydrophobicContact CG-CZ 4.29Å; K9-F63 PolarHBondContact NZ-O 3.07Å; V11-F63 HydrophobicContact CG1-CE2 3.85Å; V11-F63 HydrophobicContact CG1-CZ 4.34Å; V11-F63 HydrophobicContact CG2-CE2 4.45Å; V29-F63 HydrophobicContact CG2-CB 3.44Å; V29-F63 VanDerWaalsContact CG2-CB 3.44Å; V29-F63 HydrophobicContact CG2-CD1 4.36Å; V29-F63 HydrophobicContact CG2-CD2 4.16Å; V29-F63 HydrophobicContact CG2-CG 3.75Å; L32-F63 HydrophobicContact CD2-CD2 4.33Å; L32-F63 HydrophobicContact CD2-CE2 3.73Å; L32-F63 HydrophobicContact CD2-CZ 4.36Å; V58-F63 HydrophobicContact CG1-CB 3.87Å; V58-F63 HydrophobicContact CG1-CD2 3.95Å; V58-F63 HydrophobicContact CG1-CG 4.41Å; T59-F63 WeakPolarHBondContact O-CB 3.15Å; T59-F63 PolarHBondContact O-N 3.15Å; F63-T65 PolarHBondContact O-N 2.63Å; F63-L66 HydrophobicContact CD2-CD1 3.82Å; F63-L66 HydrophobicContact CE2-CD1 4.42Å; F63-L66 PolarHBondContact O-N 3.26Å; F63-L72 HydrophobicContact CE2-CD1 4.48Å
64	P	93	Very high	94.1	Very high	79 Å²	79	57.2 Å²	57.2	51%	0.513	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-65.6	-17.1	176	-21.9	34.7	0	0	0	115	K9 E60 E61 F62	K9-P64 PolarHBondContact NZ-O 3.42Å; E60-P64 WeakPolarHBondContact O-CD 3.42Å; E61-P64 WeakPolarHBondContact O-CD 3.2Å; F62-P64 VanDerWaalsContact C-CD 3.49Å
65	T	93.5	Very high	94.3	Very high	95 Å²	95	53.3 Å²	53.3	58%	0.583	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-91.6	-12.4	178.4	71.7	0	0	0	0	113.2	F62 F63	F62-T65 WeakPolarHBondContact CD2-OG1 3.47Å; F62-T65 WeakPolarHBondContact CE2-OG1 3.18Å; F62-T65 PolarHBondContact O-N 3.24Å; F62-T65 PolarHBondContact O-OG1 3.43Å; F63-T65 PolarHBondContact O-N 2.63Å
66	L	94	Very high	94.4	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.047	29%	0.293	C	S	.	.	S	Bend	trans	-62.4	143	179.8	-59.8	-177.9	0	0	0	112.9	K9 L51 V58 F62 F63 C70 L72	K9-L66 HydrophobicContact CD-CB 4.22Å; K9-L66 PolarHBondContact NZ-O 3.32Å; L51-L66 HydrophobicContact CD2-CD1 4.45Å; L51-L66 HydrophobicContact CD2-CD2 3.7Å; V58-L66 HydrophobicContact CG1-CD1 3.96Å; V58-L66 HydrophobicContact CG2-CD1 4.22Å; F62-L66 HydrophobicContact CD1-CD2 4.07Å; F62-L66 HydrophobicContact CD2-CD2 4.48Å; F62-L66 HydrophobicContact CE1-CD2 3.61Å; F62-L66 HydrophobicContact CE2-CD2 4.06Å; F62-L66 HydrophobicContact CG-CD2 4.48Å; F62-L66 HydrophobicContact CZ-CD2 3.59Å; F63-L66 HydrophobicContact CD2-CD1 3.82Å; F63-L66 HydrophobicContact CE2-CD1 4.42Å; F63-L66 PolarHBondContact O-N 3.26Å; L66-C70 HydrophobicContact CB-CB 4.22Å; L66-L72 HydrophobicContact CD1-CD1 4.45Å; L66-L72 HydrophobicContact CD1-CD2 4.15Å
67	P	94.1	Very high	94.3	Very high	91 Å²	91	59 Å²	59	59%	0.591	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-60	152.5	169.4	-22.8	33.7	0	0	0	112.3	N69 C70	P67-N69 PolarHBondContact O-N 3.5Å; P67-C70 WeakPolarHBondContact O-CB 3.31Å; P67-C70 PolarHBondContact O-N 3.23Å
68	D	94	Very high	94	Very high	101 Å²	101	57.5 Å²	57.5	54%	0.54	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	138.4	171.3	-78.6	-4.9	0	0	0	110.3	P10 C70	P10-D68 WeakPolarHBondContact CD-OD1 3.47Å; P10-D68 HydrophobicContact CG-CB 3.91Å; D68-C70 PolarHBondContact O-N 2.94Å
69	N	93.3	Very high	93.8	Very high	87 Å²	87	60.1 Å²	60.1	47%	0.465	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	21.9	-175.7	-54.8	-66.3	0	0	0	115.1	P10 P67	P10-N69 WeakPolarHBondContact O-CA 3.32Å; P10-N69 PolarHBondContact O-N 3.4Å; P67-N69 PolarHBondContact O-N 3.5Å
70	C	93.8	Very high	93.5	Very high	25 Å²	25	61.9 Å²	61.9	17%	0.169	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	139.3	171.3	-175.6	0	0	0	0	111.3	K12 L66 P67 D68	K12-C70 PolarHBondContact N-O 2.98Å; L66-C70 HydrophobicContact CB-CB 4.22Å; P67-C70 WeakPolarHBondContact O-CB 3.31Å; P67-C70 PolarHBondContact O-N 3.23Å; D68-C70 PolarHBondContact O-N 2.94Å
71	E	94.5	Very high	93.3	Very high	54 Å²	54	59 Å²	59	25%	0.252	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.5	-177.9	-59.4	-165.3	162.8	0	0	111.5	K12 K21 Y52	K12-E71 HydrophobicContact CB-CG 4.3Å; K12-E71 HydrophobicContact CD-CG 4.29Å; K12-E71 CarbonylContact O-C 3.58Å; K12-E71 WeakPolarHBondContact O-CA 3.39Å; K21-E71 WeakPolarHBondContact CE-OE1 3.34Å; K21-E71 VanDerWaalsContact CE-OE2 3.27Å; K21-E71 WeakPolarHBondContact CE-OE2 3.29Å; K21-E71 IonicContact NZ-OE1 3.58Å; K21-E71 PolarHBondContact NZ-OE1 3.09Å; K21-E71 IonicContact NZ-OE2 2.92Å; K21-E71 PolarHBondContact NZ-OE2 3.04Å; Y52-E71 WeakPolarHBondContact CB-O 3.3Å; Y52-E71 HydrophobicContact CG-CB 4.46Å; Y52-E71 PolarHBondContact N-O 2.78Å
72	L	95.5	Very high	92.9	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.4	-175.5	-56.2	-177.5	0	0	0	110.8	V11 K12 I13 R14 L32 C50 L51 V58 F63 L66	V11-L72 HydrophobicContact CB-CD1 3.97Å; V11-L72 HydrophobicContact CB-CG 4.45Å; V11-L72 HydrophobicContact CG1-CD1 4.07Å; V11-L72 HydrophobicContact CG2-CD1 4Å; K12-L72 PolarHBondContact O-N 2.82Å; I13-L72 CarbonylContact C-O 3.47Å; I13-L72 WeakPolarHBondContact CA-O 3.41Å; R14-L72 PolarHBondContact N-O 3.38Å; L32-L72 HydrophobicContact CD2-CD1 3.46Å; L32-L72 VanDerWaalsContact CD2-CD1 3.46Å; C50-L72 CarbonylContact O-C 3.53Å; C50-L72 VanDerWaalsContact O-CA 3.28Å; C50-L72 WeakPolarHBondContact O-CA 3.32Å; L51-L72 HydrophobicContact CD2-CD2 3.67Å; V58-L72 HydrophobicContact CG2-CD2 3.87Å; F63-L72 HydrophobicContact CE2-CD1 4.48Å; L66-L72 HydrophobicContact CD1-CD1 4.45Å; L66-L72 HydrophobicContact CD1-CD2 4.15Å
73	V	95.1	Very high	92.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.2	173.8	-172.6	0	0	0	0	108.8	R14 V49 C50 Y52 L75 W81	R14-V73 HydrophobicContact CG-CG2 3.99Å; V49-V73 WeakPolarHBondContact CA-O 3.36Å; C50-V73 PolarHBondContact N-O 2.8Å; C50-V73 VanDerWaalsContact N-O 3.16Å; C50-V73 PolarHBondContact O-N 3.39Å; Y52-V73 HydrophobicContact CD2-CG2 3.86Å; Y52-V73 HydrophobicContact CG-CG2 4.49Å; V73-L75 HydrophobicContact CG1-CD2 3.75Å; V73-L75 HydrophobicContact CG1-CG 4.29Å; V73-W81 HydrophobicContact CB-CD2 4.42Å; V73-W81 HydrophobicContact CB-CG 4.45Å; V73-W81 HydrophobicContact CG1-CD2 4.28Å; V73-W81 HydrophobicContact CG1-CE3 4.11Å; V73-W81 HydrophobicContact CG2-CD2 3.95Å; V73-W81 HydrophobicContact CG2-CE3 4.43Å; V73-W81 HydrophobicContact CG2-CG 4.22Å; V73-W81 HydrophobicContact CG2-CZ2 4.34Å
74	L	95.9	Very high	91.6	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	124	171.4	-172.3	63.1	0	0	0	109.8	I13 R14 Y16 I33 C37 L40 L42 A47 V49	I13-L74 HydrophobicContact CD1-CB 3.8Å; I13-L74 HydrophobicContact CD1-CD1 4.32Å; I13-L74 HydrophobicContact CD1-CD2 4.25Å; I13-L74 HydrophobicContact CD1-CG 4.36Å; I13-L74 HydrophobicContact CG1-CB 4.02Å; R14-L74 PolarHBondContact O-N 3.05Å; Y16-L74 PolarHBondContact N-O 3.12Å; I33-L74 HydrophobicContact CG1-CD1 4.49Å; I33-L74 HydrophobicContact CG2-CD1 4.48Å; C37-L74 HydrophobicContact CB-CD2 4.48Å; L40-L74 HydrophobicContact CD1-CB 3.96Å; L40-L74 HydrophobicContact CD1-CD2 3.8Å; L42-L74 HydrophobicContact CD1-CD2 3.95Å; L42-L74 HydrophobicContact CD1-CG 4.12Å; A47-L74 HydrophobicContact CB-CD1 4.5Å; V49-L74 HydrophobicContact CG1-CD1 3.61Å
75	L	94.7	Very high	90.9	Very high	3 Å²	3	55 Å²	55	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	140.7	-176.3	-61	177.2	0	0	0	110.3	Y16 A47 H48 V73 Q79 W81	Y16-L75 HydrophobicContact CD2-CD2 3.5Å; Y16-L75 VanDerWaalsContact CD2-CD2 3.5Å; Y16-L75 HydrophobicContact CE2-CD2 4.33Å; Y16-L75 HydrophobicContact CG-CD2 4.24Å; A47-L75 VanDerWaalsContact CA-O 3.26Å; A47-L75 WeakPolarHBondContact CA-O 3.48Å; H48-L75 PolarHBondContact N-O 2.98Å; H48-L75 WeakPolarHBondContact NE2-CB 3.29Å; H48-L75 WeakPolarHBondContact NE2-CD1 3.31Å; H48-L75 PolarHBondContact O-N 3.03Å; V73-L75 HydrophobicContact CG1-CD2 3.75Å; V73-L75 HydrophobicContact CG1-CG 4.29Å; L75-Q79 HydrophobicContact CB-CB 4.13Å; L75-Q79 HydrophobicContact CD2-CB 4.14Å; L75-W81 HydrophobicContact CD1-CB 3.91Å; L75-W81 HydrophobicContact CD2-CB 4.34Å
76	S	93.8	Very high	90.1	Very high	18 Å²	18	51.4 Å²	51.4	13%	0.126	30%	0.3	C	S	.	.			trans	-85.4	171.7	170.2	-60.6	0	0	0	0	111.1	H48 G78 Q79	H48-S76 PolarHBondContact CE1-O 2.66Å; S76-G78 PolarHBondContact O-N 2.86Å; S76-Q79 WeakPolarHBondContact O-CB 3.09Å; S76-Q79 PolarHBondContact O-N 2.97Å
77	R	92.4	Very high	89.4	Confident	176 Å²	176	52.8 Å²	52.8	66%	0.664	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	127.4	178	-175.9	-177.7	-67.3	-95.7	0.8	111.5	S45 G46 Q79	S45-R77 PolarHBondContact OG-NH2 2.65Å; G46-R77 PolarHBondContact O-N 3.01Å; R77-Q79 PolarHBondContact O-N 2.88Å
78	G	88.1	Confident	88.7	Confident	77 Å²	77	53 Å²	53	79%	0.794	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-4.6	177	0	0	0	0	0	115.1	S76	S76-G78 PolarHBondContact O-N 2.86Å
79	Q	91.4	Very high	88	Confident	60 Å²	60	49.5 Å²	49.5	28%	0.28	29%	0.291	S	S	.	.			trans	-81.6	142.9	170.8	-64.9	-178.9	-33.9	0	0	110.2	H48 L75 S76 R77	H48-Q79 PolarHBondContact CE1-O 3.38Å; H48-Q79 PolarHBondContact NE2-O 2.93Å; L75-Q79 HydrophobicContact CB-CB 4.13Å; L75-Q79 HydrophobicContact CD2-CB 4.14Å; S76-Q79 WeakPolarHBondContact O-CB 3.09Å; S76-Q79 PolarHBondContact O-N 2.97Å; R77-Q79 PolarHBondContact O-N 2.88Å
80	T	89.3	Confident	87.3	Confident	107 Å²	107	48.9 Å²	48.9	66%	0.656	28%	0.282	S	S	*	.			trans	-127.7	148.9	174.4	54.8	0	0	0	0	109.5	Y16	Y16-T80 WeakPolarHBondContact CE2-O 3.37Å
81	W	89.3	Confident	86.6	Confident	13 Å²	13	52.1 Å²	52.1	5%	0.049	30%	0.297	C	S	.	.			trans	-116.7	129.4	172.9	-174.5	-104.7	0	0	0	108.7	Y16 C50 Y52 G55 V73 L75 G83 C86	Y16-W81 HydrophobicContact CD2-CE3 4.04Å; Y16-W81 HydrophobicContact CD2-CZ3 4.42Å; Y16-W81 HydrophobicContact CE2-CE3 4.11Å; C50-W81 WeakPolarHBondContact SG-CB 3.36Å; Y52-W81 AromaticContact CD2-CE2 3.98Å; Y52-W81 HydrophobicContact CD2-CH2 4.35Å; Y52-W81 AromaticContact CD2-CZ2 3.51Å; Y52-W81 HydrophobicContact CD2-CZ2 3.51Å; Y52-W81 AromaticContact CE2-CH2 4Å; Y52-W81 HydrophobicContact CE2-CH2 4Å; Y52-W81 AromaticContact CE2-CZ2 3.36Å; Y52-W81 HydrophobicContact CE2-CZ2 3.36Å; Y52-W81 PolarHBondContact O-NE1 3.14Å; G55-W81 WeakPolarHBondContact CA-O 3.17Å; V73-W81 HydrophobicContact CB-CD2 4.42Å; V73-W81 HydrophobicContact CB-CG 4.45Å; V73-W81 HydrophobicContact CG1-CD2 4.28Å; V73-W81 HydrophobicContact CG1-CE3 4.11Å; V73-W81 HydrophobicContact CG2-CD2 3.95Å; V73-W81 HydrophobicContact CG2-CE3 4.43Å; V73-W81 HydrophobicContact CG2-CG 4.22Å; V73-W81 HydrophobicContact CG2-CZ2 4.34Å; L75-W81 HydrophobicContact CD1-CB 3.91Å; L75-W81 HydrophobicContact CD2-CB 4.34Å; W81-G83 VanDerWaalsContact CD1-N 3.28Å; W81-G83 VanDerWaalsContact CE2-O 3.31Å; W81-G83 VanDerWaalsContact CZ2-O 3.31Å; W81-G83 WeakPolarHBondContact CZ2-O 3.5Å; W81-G83 PolarHBondContact NE1-O 3.22Å; W81-C86 HydrophobicContact CD2-CB 4.12Å; W81-C86 HydrophobicContact CE3-CB 3.7Å; W81-C86 HydrophobicContact CH2-CB 3.54Å; W81-C86 HydrophobicContact CZ2-CB 3.94Å; W81-C86 HydrophobicContact CZ3-CB 3.41Å; W81-C86 VanDerWaalsContact CZ3-CB 3.41Å
82	S	85.3	Confident	85.9	Confident	73 Å²	73	55.7 Å²	55.7	51%	0.51	32%	0.317	S	S	.	.			trans	-110.8	36.3	179.8	59.1	0	0	0	0	111.2	C86	S82-C86 PolarHBondContact N-SG 2.79Å; S82-C86 PolarHBondContact OG-SG 3.26Å
83	G	84.9	Confident	84.9	Confident	2 Å²	2	61.4 Å²	61.4	2%	0.021	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-160.4	-178.6	0	0	0	0	0	113.7	Y52 E53 W81 V85 C86	Y52-G83 WeakPolarHBondContact O-CA 3.4Å; E53-G83 WeakPolarHBondContact O-CA 3.41Å; W81-G83 VanDerWaalsContact CD1-N 3.28Å; W81-G83 VanDerWaalsContact CE2-O 3.31Å; W81-G83 VanDerWaalsContact CZ2-O 3.31Å; W81-G83 WeakPolarHBondContact CZ2-O 3.5Å; W81-G83 PolarHBondContact NE1-O 3.22Å; G83-V85 PolarHBondContact O-N 3.19Å; G83-C86 WeakPolarHBondContact O-CB 3.35Å; G83-C86 PolarHBondContact O-N 3.46Å
84	V	77.8	Confident	83.5	Confident	66 Å²	66	62.6 Å²	62.6	40%	0.4	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.7	179	-175.4	0	0	0	0	112.9	Y52 E53 C86 D87 I88	Y52-V84 HydrophobicContact CE1-CG2 4.03Å; E53-V84 PolarHBondContact O-N 2.99Å; V84-C86 PolarHBondContact O-N 3.43Å; V84-D87 PolarHBondContact O-N 3.04Å; V84-I88 PolarHBondContact O-N 2.9Å
85	V	78.1	Confident	82	Confident	97 Å²	97	69.7 Å²	69.7	59%	0.588	39%	0.393	S	S	*	.	H	α-helix	trans	-55.4	-33.4	173.3	-178.3	0	0	0	0	112	G83 D87 I88 G89	G83-V85 PolarHBondContact O-N 3.19Å; V85-D87 VanDerWaalsContact C-N 3.34Å; V85-D87 PolarHBondContact O-N 2.83Å; V85-I88 PolarHBondContact O-N 2.97Å; V85-G89 PolarHBondContact O-N 3.21Å
86	C	76.8	Confident	80.2	Confident	18 Å²	18	80.1 Å²	80.1	12%	0.122	43%	0.432	C	S	.	.	H	α-helix	trans	-61.9	-40.2	175.2	-74.3	0	0	0	0	112.4	W81 S82 G83 V84 G89 R90	W81-C86 HydrophobicContact CD2-CB 4.12Å; W81-C86 HydrophobicContact CE3-CB 3.7Å; W81-C86 HydrophobicContact CH2-CB 3.54Å; W81-C86 HydrophobicContact CZ2-CB 3.94Å; W81-C86 HydrophobicContact CZ3-CB 3.41Å; W81-C86 VanDerWaalsContact CZ3-CB 3.41Å; S82-C86 PolarHBondContact N-SG 2.79Å; S82-C86 PolarHBondContact OG-SG 3.26Å; G83-C86 WeakPolarHBondContact O-CB 3.35Å; G83-C86 PolarHBondContact O-N 3.46Å; V84-C86 PolarHBondContact O-N 3.43Å; C86-G89 PolarHBondContact O-N 3.03Å; C86-R90 WeakPolarHBondContact O-CG 3.35Å; C86-R90 PolarHBondContact O-N 3.25Å
87	D	79.3	Confident	78.8	Confident	39 Å²	39	86 Å²	86	21%	0.209	46%	0.457	C	S	.	.	H	α-helix	trans	-71.7	-37.3	178.8	-76.2	-27.2	0	0	0	110.9	R14 Y52 V84 V85 R90 L91	R14-D87 IonicContact CZ-OD1 3.53Å; R14-D87 IonicContact CZ-OD2 3.89Å; R14-D87 IonicContact NH1-OD1 2.72Å; R14-D87 IonicContact NH1-OD2 3.36Å; R14-D87 PolarHBondContact NH1-OD2 2.96Å; R14-D87 IonicContact NH2-OD1 3.55Å; R14-D87 PolarHBondContact NH2-OD1 2.96Å; Y52-D87 VanDerWaalsContact CE2-OD2 3.24Å; Y52-D87 WeakPolarHBondContact CE2-OD2 3.49Å; Y52-D87 PolarHBondContact OH-OD2 2.71Å; V84-D87 PolarHBondContact O-N 3.04Å; V85-D87 VanDerWaalsContact C-N 3.34Å; V85-D87 PolarHBondContact O-N 2.83Å; D87-R90 PolarHBondContact O-N 3.42Å; D87-R90 IonicContact OD1-NH1 2.76Å; D87-L91 PolarHBondContact O-N 3.48Å
88	I	79.9	Confident	77.9	Confident	95 Å²	95	79 Å²	79	49%	0.487	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-47.4	171.2	-62.8	174.6	0	0	0	110.4	V84 V85 R90 L91 L92	V84-I88 PolarHBondContact O-N 2.9Å; V85-I88 PolarHBondContact O-N 2.97Å; I88-R90 PolarHBondContact O-N 3.47Å; I88-L91 CarbonylContact O-C 3.5Å; I88-L91 WeakPolarHBondContact O-CB 3.5Å; I88-L91 PolarHBondContact O-N 3.44Å; I88-L91 VanDerWaalsContact O-N 3.08Å; I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CG 2.95Å; I88-L92 PolarHBondContact O-N 3.48Å
89	G	79.6	Confident	77.6	Confident	28 Å²	28	81.6 Å²	81.6	29%	0.289	43%	0.433	S	S	.	.	H	α-helix	trans	-59.5	-35.4	178.8	0	0	0	0	0	112.5	V85 C86 L92 N93	V85-G89 PolarHBondContact O-N 3.21Å; C86-G89 PolarHBondContact O-N 3.03Å; G89-L92 PolarHBondContact O-N 3.25Å; G89-N93 PolarHBondContact O-N 3.11Å; G89-N93 PolarHBondContact O-ND2 3.12Å
90	R	77.7	Confident	77.3	Confident	73 Å²	73	81.1 Å²	81.1	28%	0.275	44%	0.444	S	S	.	.	H	α-helix	trans	-68.6	-42.9	173.2	-73.4	170.9	-175.9	170.6	0.6	112.5	Y16 C86 D87 I88 L92 N93	Y16-R90 VanDerWaalsContact CD1-NH2 3.28Å; Y16-R90 VanDerWaalsContact CE1-NH2 3.28Å; Y16-R90 PolarHBondContact O-NH1 3.26Å; Y16-R90 PolarHBondContact O-NH2 3.01Å; C86-R90 WeakPolarHBondContact O-CG 3.35Å; C86-R90 PolarHBondContact O-N 3.25Å; D87-R90 PolarHBondContact O-N 3.42Å; D87-R90 IonicContact OD1-NH1 2.76Å; I88-R90 PolarHBondContact O-N 3.47Å; R90-L92 VanDerWaalsContact C-N 3.25Å; R90-L92 PolarHBondContact O-N 2.92Å; R90-N93 PolarHBondContact O-N 2.72Å
91	L	78.4	Confident	77.1	Confident	93 Å²	93	79 Å²	79	49%	0.487	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-35.6	174.9	-178.7	65.3	0	0	0	111.5	D87 I88 N93 T94	D87-L91 PolarHBondContact O-N 3.48Å; I88-L91 CarbonylContact O-C 3.5Å; I88-L91 WeakPolarHBondContact O-CB 3.5Å; I88-L91 PolarHBondContact O-N 3.44Å; I88-L91 VanDerWaalsContact O-N 3.08Å; L91-N93 VanDerWaalsContact C-N 3.34Å; L91-T94 WeakPolarHBondContact O-CG2 2.95Å
92	L	80.1	Confident	77.1	Confident	129 Å²	129	79.1 Å²	79.1	68%	0.675	43%	0.43	S	S	*	.	H	α-helix	trans	-76.9	-19	178.5	-66.1	175.2	0	0	0	113.4	I88 G89 R90 T94	I88-L92 HydrophobicContact CG2-CD1 3.88Å; I88-L92 HydrophobicContact CG2-CG 4.21Å; I88-L92 WeakPolarHBondContact O-CG 2.95Å; I88-L92 PolarHBondContact O-N 3.48Å; G89-L92 PolarHBondContact O-N 3.25Å; R90-L92 VanDerWaalsContact C-N 3.25Å; R90-L92 PolarHBondContact O-N 2.92Å; L92-T94 PolarHBondContact O-N 3.5Å
93	N	74.4	Confident	77.3	Confident	122 Å²	122	81.3 Å²	81.3	65%	0.652	43%	0.432	S	S	*	.			trans	-89.5	49.9	176	-73.6	-54.8	0	0	0	111.2	G89 R90 L91 D95	G89-N93 PolarHBondContact O-N 3.11Å; G89-N93 PolarHBondContact O-ND2 3.12Å; R90-N93 PolarHBondContact O-N 2.72Å; L91-N93 VanDerWaalsContact C-N 3.34Å; N93-D95 VanDerWaalsContact C-N 3.29Å; N93-D95 PolarHBondContact O-N 3.44Å
94	T	66.5	Low	77.6	Confident	25 Å²	25	83.8 Å²	83.8	15%	0.153	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-70.3	-17.3	-173.3	41.8	0	0	0	0	115.3	L91 L92 R96 H97 A98 L101 L128	L91-T94 WeakPolarHBondContact O-CG2 2.95Å; L92-T94 PolarHBondContact O-N 3.5Å; T94-R96 PolarHBondContact O-N 3.21Å; T94-H97 PolarHBondContact O-N 3.42Å; T94-A98 PolarHBondContact O-N 3.24Å; T94-L101 HydrophobicContact CG2-CD1 3.45Å; T94-L101 VanDerWaalsContact CG2-CD1 3.45Å; T94-L128 HydrophobicContact CG2-CD2 3.66Å
95	D	63.8	Low	78.2	Confident	150 Å²	150	80.9 Å²	80.9	80%	0.802	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-56	-25.4	-169.1	-59.9	-16.5	0	0	0	114.2	N93	N93-D95 VanDerWaalsContact C-N 3.29Å; N93-D95 PolarHBondContact O-N 3.44Å
96	R	56.7	Low	79	Confident	221 Å²	221	80.1 Å²	80.1	83%	0.834	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-80.9	-18.4	-178.7	-106.1	-177	-84.4	-166.9	-6.5	114.9	T94	T94-R96 PolarHBondContact O-N 3.21Å
97	H	65.1	Low	79.8	Confident	141 Å²	141	81.7 Å²	81.7	65%	0.653	44%	0.443	S	S	*	.	S	Bend	trans	-143.2	28	-172.8	-59.8	-58.2	0	0	0	113.1	T94 D99 G100 L101	T94-H97 PolarHBondContact O-N 3.42Å; H97-D99 VanDerWaalsContact C-N 3.34Å; H97-D99 PolarHBondContact O-N 3.38Å; H97-G100 PolarHBondContact O-N 3.04Å; H97-L101 WeakPolarHBondContact O-CG 3.49Å; H97-L101 PolarHBondContact O-N 2.67Å
98	A	73.8	Confident	80.5	Confident	31 Å²	31	84.4 Å²	84.4	26%	0.256	46%	0.458	S	S	.	.	H	α-helix	trans	-51.3	-48.6	-172.2	0	0	0	0	0	112.9	T94 G100 L101 I102	T94-A98 PolarHBondContact O-N 3.24Å; A98-G100 PolarHBondContact O-N 3.02Å; A98-L101 PolarHBondContact O-N 3.32Å; A98-I102 VanDerWaalsContact O-CG1 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.41Å; A98-I102 PolarHBondContact O-N 3.36Å
99	D	81.6	Confident	81.2	Confident	130 Å²	130	82.2 Å²	82.2	70%	0.695	45%	0.446	S	S	*	.	H	α-helix	trans	-60.9	-45.9	-178.8	-60.9	-27	0	0	0	112.9	H97 L101 I102 E103	H97-D99 VanDerWaalsContact C-N 3.34Å; H97-D99 PolarHBondContact O-N 3.38Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 3.12Å; D99-I102 PolarHBondContact O-N 2.98Å; D99-E103 PolarHBondContact O-N 3.05Å
100	G	85.8	Confident	81.8	Confident	50 Å²	50	84.6 Å²	84.6	52%	0.515	46%	0.463	S	S	.	.	H	α-helix	trans	-65.2	-34.5	178.4	0	0	0	0	0	112.6	H97 A98 A104	H97-G100 PolarHBondContact O-N 3.04Å; A98-G100 PolarHBondContact O-N 3.02Å; G100-A104 VanDerWaalsContact O-CB 3.27Å; G100-A104 WeakPolarHBondContact O-CB 3.43Å; G100-A104 PolarHBondContact O-N 3.44Å
101	L	85	Confident	82.4	Confident	63 Å²	63	88 Å²	88	33%	0.33	49%	0.487	S	S	.	.	H	α-helix	trans	-71.2	-38.8	175.3	-70.3	172.5	0	0	0	112.1	T94 H97 A98 D99 A104 A105 L128	T94-L101 HydrophobicContact CG2-CD1 3.45Å; T94-L101 VanDerWaalsContact CG2-CD1 3.45Å; H97-L101 WeakPolarHBondContact O-CG 3.49Å; H97-L101 PolarHBondContact O-N 2.67Å; A98-L101 PolarHBondContact O-N 3.32Å; D99-L101 VanDerWaalsContact C-N 3.3Å; D99-L101 PolarHBondContact O-N 3.12Å; L101-A104 PolarHBondContact O-N 3.18Å; L101-A105 VanDerWaalsContact O-CB 3.25Å; L101-A105 WeakPolarHBondContact O-CB 3.33Å; L101-A105 PolarHBondContact O-N 2.99Å; L101-L128 HydrophobicContact CB-CD1 4.11Å
102	I	88.2	Confident	83.2	Confident	16 Å²	16	85.4 Å²	85.4	8%	0.082	47%	0.473	C	S	.	.	H	α-helix	trans	-61.5	-51.2	175.3	-71	162.8	0	0	0	109.9	A98 D99 A104 A105 K106 L125 L128 E129	A98-I102 VanDerWaalsContact O-CG1 3.26Å; A98-I102 WeakPolarHBondContact O-CG1 3.41Å; A98-I102 PolarHBondContact O-N 3.36Å; D99-I102 PolarHBondContact O-N 2.98Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.48Å; I102-A105 PolarHBondContact O-N 3.47Å; I102-K106 HydrophobicContact CG2-CD 4.06Å; I102-K106 WeakPolarHBondContact O-CG 3.49Å; I102-K106 PolarHBondContact O-N 2.78Å; I102-L125 HydrophobicContact CB-CD2 4.42Å; I102-L125 HydrophobicContact CG2-CD2 4.02Å; I102-L128 HydrophobicContact CD1-CB 4.12Å; I102-L128 HydrophobicContact CG1-CB 3.64Å; I102-L128 HydrophobicContact CG1-CD1 4.16Å; I102-E129 HydrophobicContact CD1-CG 4.09Å; I102-E129 HydrophobicContact CG1-CG 4.27Å; I102-E129 HydrophobicContact CG2-CG 4.16Å
103	E	90.8	Very high	83.9	Confident	118 Å²	118	87.9 Å²	87.9	55%	0.551	48%	0.478	S	S	*	.	H	α-helix	trans	-63.7	-40.5	-179.9	-69	-53.5	118.8	0	0	112	D99 A105 K106 G107	D99-E103 PolarHBondContact O-N 3.05Å; E103-A105 PolarHBondContact O-N 2.83Å; E103-K106 PolarHBondContact O-N 2.96Å; E103-K106 IonicContact OE1-NZ 2.69Å; E103-G107 PolarHBondContact O-N 3.48Å
104	A	90.5	Very high	85	Confident	54 Å²	54	84.3 Å²	84.3	45%	0.446	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-43.8	173.7	0	0	0	0	0	112.1	G100 L101 I102 G107 L108	G100-A104 VanDerWaalsContact O-CB 3.27Å; G100-A104 WeakPolarHBondContact O-CB 3.43Å; G100-A104 PolarHBondContact O-N 3.44Å; L101-A104 PolarHBondContact O-N 3.18Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.48Å; A104-G107 PolarHBondContact O-N 2.84Å; A104-L108 WeakPolarHBondContact O-CB 3.48Å; A104-L108 VanDerWaalsContact O-CG 3.31Å; A104-L108 WeakPolarHBondContact O-CG 3.3Å; A104-L108 PolarHBondContact O-N 2.93Å
105	A	91.2	Very high	86.3	Confident	5 Å²	5	91 Å²	91	4%	0.041	49%	0.49	C	S	.	.	H	α-helix	trans	-67.9	-37.8	179.2	0	0	0	0	0	112.3	L101 I102 E103 L108 L109 L121 L125	L101-A105 VanDerWaalsContact O-CB 3.25Å; L101-A105 WeakPolarHBondContact O-CB 3.33Å; L101-A105 PolarHBondContact O-N 2.99Å; I102-A105 PolarHBondContact O-N 3.47Å; E103-A105 PolarHBondContact O-N 2.83Å; A105-L108 PolarHBondContact O-N 2.83Å; A105-L109 WeakPolarHBondContact O-CB 3.28Å; A105-L109 PolarHBondContact O-N 3.21Å; A105-L121 HydrophobicContact CB-CD2 4.26Å; A105-L125 HydrophobicContact CB-CD1 4.3Å; A105-L125 HydrophobicContact CB-CD2 3.69Å; A105-L125 HydrophobicContact CB-CG 3.81Å
106	K	93.5	Very high	87.9	Confident	81 Å²	81	91.9 Å²	91.9	35%	0.352	49%	0.486	S	S	.	.	H	α-helix	trans	-61.9	-46.8	171.3	-76.2	173.9	-179.3	162.4	0	111.7	I102 E103 L108 L109 A110 L125 E129	I102-K106 HydrophobicContact CG2-CD 4.06Å; I102-K106 WeakPolarHBondContact O-CG 3.49Å; I102-K106 PolarHBondContact O-N 2.78Å; E103-K106 PolarHBondContact O-N 2.96Å; E103-K106 IonicContact OE1-NZ 2.69Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.34Å; K106-L109 PolarHBondContact O-N 2.87Å; K106-L109 VanDerWaalsContact O-N 3.1Å; K106-A110 PolarHBondContact O-N 3.35Å; K106-L125 HydrophobicContact CG-CD1 4.12Å; K106-L125 HydrophobicContact CG-CD2 3.95Å; K106-E129 WeakPolarHBondContact CE-OE1 3.49Å; K106-E129 IonicContact NZ-OE1 3.7Å; K106-E129 PolarHBondContact NZ-OE1 3.41Å
107	G	94.2	Very high	89.7	Confident	51 Å²	51	87.5 Å²	87.5	53%	0.526	47%	0.47	S	S	.	.	H	α-helix	trans	-60.1	-43.1	176.5	0	0	0	0	0	112.3	E103 A104 L109	E103-G107 PolarHBondContact O-N 3.48Å; A104-G107 PolarHBondContact O-N 2.84Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.33Å
108	L	93.4	Very high	91.1	Very high	97 Å²	97	85 Å²	85	51%	0.508	46%	0.455	S	S	.	.	H	α-helix	trans	-63.9	-34.4	174	-73.2	173.6	0	0	0	112.4	A104 A105 K106 E112 L121	A104-L108 WeakPolarHBondContact O-CB 3.48Å; A104-L108 VanDerWaalsContact O-CG 3.31Å; A104-L108 WeakPolarHBondContact O-CG 3.3Å; A104-L108 PolarHBondContact O-N 2.93Å; A105-L108 PolarHBondContact O-N 2.83Å; K106-L108 VanDerWaalsContact C-N 3.34Å; K106-L108 PolarHBondContact O-N 3.34Å; L108-E112 WeakPolarHBondContact O-CB 3.25Å; L108-L121 HydrophobicContact CB-CD1 3.84Å; L108-L121 HydrophobicContact CB-CD2 4.09Å; L108-L121 HydrophobicContact CD1-CD2 4.16Å
109	L	94.1	Very high	92.1	Very high	48 Å²	48	89 Å²	89	25%	0.251	47%	0.466	S	S	.	.	H	α-helix	trans	-74.5	-33.5	-177.4	-175.2	63.8	0	0	0	112.9	A105 K106 G107 D111 E112 R118 L121 L125	A105-L109 WeakPolarHBondContact O-CB 3.28Å; A105-L109 PolarHBondContact O-N 3.21Å; K106-L109 PolarHBondContact O-N 2.87Å; K106-L109 VanDerWaalsContact O-N 3.1Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.33Å; L109-D111 VanDerWaalsContact C-N 3.33Å; L109-D111 PolarHBondContact O-N 3.41Å; L109-E112 PolarHBondContact O-N 3.32Å; L109-R118 HydrophobicContact CD1-CB 4.12Å; L109-R118 HydrophobicContact CD1-CG 3.87Å; L109-L121 HydrophobicContact CB-CD1 4.35Å; L109-L121 HydrophobicContact CD1-CB 4.1Å; L109-L121 HydrophobicContact CD1-CD1 4.41Å; L109-L125 HydrophobicContact CD2-CD1 3.91Å
110	A	93.4	Very high	92.7	Very high	78 Å²	78	87.1 Å²	87.1	65%	0.645	46%	0.459	S	S	*	.	H	α-helix	trans	-53.4	-43.6	-171.3	0	0	0	0	0	113.9	K106	K106-A110 PolarHBondContact O-N 3.35Å
111	D	90.6	Very high	93.1	Very high	146 Å²	146	85.6 Å²	85.6	78%	0.781	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	10.3	-178.2	-66.2	-46.5	0	0	0	113.5	L109 K113	L109-D111 VanDerWaalsContact C-N 3.33Å; L109-D111 PolarHBondContact O-N 3.41Å; D111-K113 PolarHBondContact O-N 3.42Å
112	E	95.1	Very high	93.4	Very high	37 Å²	37	85.3 Å²	85.3	17%	0.173	44%	0.44	C	S	.	.			trans	-74.7	118.9	-173.4	-177.4	56.5	-113.1	0	0	112.6	L108 L109 S114 R117 R118 L121	L108-E112 WeakPolarHBondContact O-CB 3.25Å; L109-E112 PolarHBondContact O-N 3.32Å; E112-S114 WeakPolarHBondContact OE1-CB 3.36Å; E112-S114 PolarHBondContact OE1-N 3.3Å; E112-R117 VanDerWaalsContact CD-NE 3.33Å; E112-R117 HydrophobicContact CG-CB 3.73Å; E112-R117 IonicContact OE1-NE 3.33Å; E112-R117 IonicContact OE2-CZ 2.65Å; E112-R117 VanDerWaalsContact OE2-CZ 3.28Å; E112-R117 IonicContact OE2-NE 2.65Å; E112-R117 PolarHBondContact OE2-NE 3.13Å; E112-R117 IonicContact OE2-NH2 3.34Å; E112-R117 PolarHBondContact OE2-NH2 3.5Å; E112-R118 HydrophobicContact CB-CG 3.93Å; E112-R118 HydrophobicContact CG-CG 3.75Å; E112-R118 WeakPolarHBondContact O-CD 3.3Å; E112-R118 WeakPolarHBondContact O-CG 3.34Å; E112-R118 PolarHBondContact O-NE 2.75Å; E112-L121 HydrophobicContact CG-CD1 4.5Å
113	K	94.5	Very high	93.5	Very high	182 Å²	182	87.1 Å²	87.1	79%	0.791	45%	0.45	S	S	*	.			trans	-90.5	-27.9	-179.7	-62.7	-176.9	-178	178.2	0	113	D111 F115 R118	D111-K113 PolarHBondContact O-N 3.42Å; K113-F115 PolarHBondContact O-N 3.24Å; K113-R118 PolarHBondContact O-NH2 3.01Å
114	S	96.8	Very high	93.4	Very high	47 Å²	47	84 Å²	84	33%	0.329	44%	0.437	S	S	.	.			trans	-72	121.3	-178.6	176.6	0	0	0	0	111.5	E112 K116 R117 R118	E112-S114 WeakPolarHBondContact OE1-CB 3.36Å; E112-S114 PolarHBondContact OE1-N 3.3Å; S114-K116 VanDerWaalsContact C-N 3.28Å; S114-K116 PolarHBondContact O-N 2.79Å; S114-R117 PolarHBondContact O-N 2.89Å; S114-R118 WeakPolarHBondContact O-CG 3.42Å; S114-R118 PolarHBondContact O-N 3.46Å
115	F	95.4	Very high	93.4	Very high	166 Å²	166	82.1 Å²	82.1	73%	0.728	42%	0.419	S	S	*	.	H	α-helix	trans	-58	-40.3	176.8	-67.5	-72.3	0	0	0	112.6	K113 R118 K119	K113-F115 PolarHBondContact O-N 3.24Å; F115-R118 VanDerWaalsContact CD1-NH2 3.27Å; F115-K119 WeakPolarHBondContact O-CB 3.29Å; F115-K119 PolarHBondContact O-N 3.34Å
116	K	95.8	Very high	93.2	Very high	167 Å²	167	84.2 Å²	84.2	73%	0.726	43%	0.428	S	S	*	.	H	α-helix	trans	-63.2	-46	177.9	-176.5	177.3	178.3	179.8	0	111	S114 K119 V120	S114-K116 VanDerWaalsContact C-N 3.28Å; S114-K116 PolarHBondContact O-N 2.79Å; K116-K119 PolarHBondContact O-N 3.42Å; K116-V120 WeakPolarHBondContact O-CG2 3.5Å; K116-V120 PolarHBondContact O-N 3.13Å; K116-V120 VanDerWaalsContact O-N 3.08Å
117	R	94.7	Very high	92.7	Very high	130 Å²	130	85.4 Å²	85.4	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-68.4	-42	-179.2	-67.1	172.1	51.7	85.4	8.2	111.4	E112 S114 K119 V120 L121	E112-R117 VanDerWaalsContact CD-NE 3.33Å; E112-R117 HydrophobicContact CG-CB 3.73Å; E112-R117 IonicContact OE1-NE 3.33Å; E112-R117 IonicContact OE2-CZ 2.65Å; E112-R117 VanDerWaalsContact OE2-CZ 3.28Å; E112-R117 IonicContact OE2-NE 2.65Å; E112-R117 PolarHBondContact OE2-NE 3.13Å; E112-R117 IonicContact OE2-NH2 3.34Å; E112-R117 PolarHBondContact OE2-NH2 3.5Å; S114-R117 PolarHBondContact O-N 2.89Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-K119 PolarHBondContact O-N 3Å; R117-V120 PolarHBondContact O-N 3.27Å; R117-L121 WeakPolarHBondContact O-CB 3.39Å; R117-L121 WeakPolarHBondContact O-CG 3.48Å; R117-L121 PolarHBondContact O-N 3.31Å
118	R	95.1	Very high	92.3	Very high	88 Å²	88	84.3 Å²	84.3	33%	0.332	42%	0.42	S	S	.	.	H	α-helix	trans	-53.2	-50.4	170.7	-78.1	-172.8	-88.1	169.1	-7.2	111.4	L109 E112 K113 S114 F115 V120 L121 T122	L109-R118 HydrophobicContact CD1-CB 4.12Å; L109-R118 HydrophobicContact CD1-CG 3.87Å; E112-R118 HydrophobicContact CB-CG 3.93Å; E112-R118 HydrophobicContact CG-CG 3.75Å; E112-R118 WeakPolarHBondContact O-CD 3.3Å; E112-R118 WeakPolarHBondContact O-CG 3.34Å; E112-R118 PolarHBondContact O-NE 2.75Å; K113-R118 PolarHBondContact O-NH2 3.01Å; S114-R118 WeakPolarHBondContact O-CG 3.42Å; S114-R118 PolarHBondContact O-N 3.46Å; F115-R118 VanDerWaalsContact CD1-NH2 3.27Å; R118-V120 PolarHBondContact O-N 3.25Å; R118-L121 PolarHBondContact O-N 3.36Å; R118-T122 WeakPolarHBondContact O-CB 3.37Å; R118-T122 PolarHBondContact O-N 2.99Å; R118-T122 PolarHBondContact O-OG1 3.2Å
119	K	95.1	Very high	91.9	Very high	115 Å²	115	82.7 Å²	82.7	50%	0.5	41%	0.41	S	S	.	.	H	α-helix	trans	-59.5	-47.8	-179.8	-175.9	54.4	175.7	160.1	0	112.2	F115 K116 R117 L121 T122 D123	F115-K119 WeakPolarHBondContact O-CB 3.29Å; F115-K119 PolarHBondContact O-N 3.34Å; K116-K119 PolarHBondContact O-N 3.42Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-K119 PolarHBondContact O-N 3Å; K119-L121 PolarHBondContact O-N 3.24Å; K119-T122 PolarHBondContact O-N 3.3Å; K119-D123 VanDerWaalsContact CE-OD1 3.23Å; K119-D123 WeakPolarHBondContact CE-OD1 3.37Å; K119-D123 WeakPolarHBondContact CE-OD2 3.32Å; K119-D123 IonicContact NZ-OD1 2.75Å; K119-D123 PolarHBondContact NZ-OD1 3.21Å; K119-D123 IonicContact NZ-OD2 3.63Å; K119-D123 PolarHBondContact NZ-OD2 3.2Å; K119-D123 WeakPolarHBondContact O-CB 3.35Å; K119-D123 PolarHBondContact O-N 3.19Å
120	V	93.7	Very high	91.5	Very high	90 Å²	90	83.8 Å²	83.8	55%	0.545	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-43.9	177.3	175.8	0	0	0	0	111.9	K116 R117 R118 L124	K116-V120 WeakPolarHBondContact O-CG2 3.5Å; K116-V120 PolarHBondContact O-N 3.13Å; K116-V120 VanDerWaalsContact O-N 3.08Å; R117-V120 PolarHBondContact O-N 3.27Å; R118-V120 PolarHBondContact O-N 3.25Å; V120-L124 VanDerWaalsContact O-CB 3.3Å; V120-L124 WeakPolarHBondContact O-CB 3.4Å; V120-L124 PolarHBondContact O-N 3.09Å
121	L	93.1	Very high	91.5	Very high	18 Å²	18	84.8 Å²	84.8	9%	0.094	40%	0.404	C	S	.	.	H	α-helix	trans	-66.9	-42.5	179.4	-73.1	168.6	0	0	0	112.2	A105 L108 L109 E112 R117 R118 K119 L124 L125	A105-L121 HydrophobicContact CB-CD2 4.26Å; L108-L121 HydrophobicContact CB-CD1 3.84Å; L108-L121 HydrophobicContact CB-CD2 4.09Å; L108-L121 HydrophobicContact CD1-CD2 4.16Å; L109-L121 HydrophobicContact CB-CD1 4.35Å; L109-L121 HydrophobicContact CD1-CB 4.1Å; L109-L121 HydrophobicContact CD1-CD1 4.41Å; E112-L121 HydrophobicContact CG-CD1 4.5Å; R117-L121 WeakPolarHBondContact O-CB 3.39Å; R117-L121 WeakPolarHBondContact O-CG 3.48Å; R117-L121 PolarHBondContact O-N 3.31Å; R118-L121 PolarHBondContact O-N 3.36Å; K119-L121 PolarHBondContact O-N 3.24Å; L121-L124 PolarHBondContact O-N 3.35Å; L121-L125 WeakPolarHBondContact O-CB 3.39Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 2.96Å
122	T	91.9	Very high	91.7	Very high	58 Å²	58	78.1 Å²	78.1	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-45.9	175.8	-59.5	0	0	0	0	111.2	R118 K119 L124 L125 Q126	R118-T122 WeakPolarHBondContact O-CB 3.37Å; R118-T122 PolarHBondContact O-N 2.99Å; R118-T122 PolarHBondContact O-OG1 3.2Å; K119-T122 PolarHBondContact O-N 3.3Å; T122-L124 VanDerWaalsContact C-N 3.31Å; T122-L124 PolarHBondContact O-N 3.2Å; T122-L125 PolarHBondContact O-N 2.8Å; T122-Q126 WeakPolarHBondContact O-CB 3.12Å; T122-Q126 PolarHBondContact O-N 3Å
123	D	90.6	Very high	91.6	Very high	53 Å²	53	83 Å²	83	28%	0.283	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-39.8	177.9	-68.2	-12.9	0	0	0	110.9	K119 N127	K119-D123 VanDerWaalsContact CE-OD1 3.23Å; K119-D123 WeakPolarHBondContact CE-OD1 3.37Å; K119-D123 WeakPolarHBondContact CE-OD2 3.32Å; K119-D123 IonicContact NZ-OD1 2.75Å; K119-D123 PolarHBondContact NZ-OD1 3.21Å; K119-D123 IonicContact NZ-OD2 3.63Å; K119-D123 PolarHBondContact NZ-OD2 3.2Å; K119-D123 WeakPolarHBondContact O-CB 3.35Å; K119-D123 PolarHBondContact O-N 3.19Å; D123-N127 PolarHBondContact O-N 2.88Å; D123-N127 PolarHBondContact O-ND2 3.08Å
124	L	89.4	Confident	91.8	Very high	52 Å²	52	77.2 Å²	77.2	27%	0.272	37%	0.373	S	S	.	.	H	α-helix	trans	-62.1	-52	174.8	177.9	62.8	0	0	0	111.4	V120 L121 T122 Q126 N127 L128	V120-L124 VanDerWaalsContact O-CB 3.3Å; V120-L124 WeakPolarHBondContact O-CB 3.4Å; V120-L124 PolarHBondContact O-N 3.09Å; L121-L124 PolarHBondContact O-N 3.35Å; T122-L124 VanDerWaalsContact C-N 3.31Å; T122-L124 PolarHBondContact O-N 3.2Å; L124-Q126 VanDerWaalsContact C-N 3.3Å; L124-Q126 PolarHBondContact O-N 3.41Å; L124-N127 PolarHBondContact O-N 2.64Å; L124-L128 HydrophobicContact CD1-CD1 3.92Å; L124-L128 HydrophobicContact CD1-CD2 4.47Å; L124-L128 HydrophobicContact CD1-CG 4.01Å; L124-L128 HydrophobicContact CD2-CD1 4.35Å; L124-L128 HydrophobicContact CG-CD1 3.78Å; L124-L128 HydrophobicContact CG-CG 4.24Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 2.73Å
125	L	89.2	Confident	91.8	Very high	15 Å²	15	76.7 Å²	76.7	8%	0.079	37%	0.365	C	S	.	.	H	α-helix	trans	-57.7	-42.9	179.3	-79.8	168.4	0	0	0	111.9	I102 A105 K106 L109 L121 T122 N127 L128 E129	I102-L125 HydrophobicContact CB-CD2 4.42Å; I102-L125 HydrophobicContact CG2-CD2 4.02Å; A105-L125 HydrophobicContact CB-CD1 4.3Å; A105-L125 HydrophobicContact CB-CD2 3.69Å; A105-L125 HydrophobicContact CB-CG 3.81Å; K106-L125 HydrophobicContact CG-CD1 4.12Å; K106-L125 HydrophobicContact CG-CD2 3.95Å; L109-L125 HydrophobicContact CD2-CD1 3.91Å; L121-L125 WeakPolarHBondContact O-CB 3.39Å; L121-L125 WeakPolarHBondContact O-CG 3.46Å; L121-L125 PolarHBondContact O-N 2.96Å; T122-L125 PolarHBondContact O-N 2.8Å; L125-N127 PolarHBondContact O-N 3.32Å; L125-L128 PolarHBondContact O-N 2.71Å; L125-E129 WeakPolarHBondContact O-CB 3.44Å; L125-E129 WeakPolarHBondContact O-CG 3.37Å; L125-E129 PolarHBondContact O-N 3.36Å
126	Q	86.9	Confident	92	Very high	50 Å²	50	70.7 Å²	70.7	23%	0.234	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-32.5	177.8	-173.6	-179.9	11.4	0	0	112.8	T122 L124 E251	T122-Q126 WeakPolarHBondContact O-CB 3.12Å; T122-Q126 PolarHBondContact O-N 3Å; L124-Q126 VanDerWaalsContact C-N 3.3Å; L124-Q126 PolarHBondContact O-N 3.41Å; Q126-E251 VanDerWaalsContact NE2-CD 3.26Å; Q126-E251 PolarHBondContact NE2-OE2 3.23Å
127	N	84.1	Confident	92.1	Very high	106 Å²	106	64.7 Å²	64.7	57%	0.567	32%	0.315	S	S	*	.	H	α-helix	trans	-85.3	-31.3	177.1	-71.6	-71.7	0	0	0	112.8	D123 L124 L125	D123-N127 PolarHBondContact O-N 2.88Å; D123-N127 PolarHBondContact O-ND2 3.08Å; L124-N127 PolarHBondContact O-N 2.64Å; L125-N127 PolarHBondContact O-N 3.32Å
128	L	85.7	Confident	92.2	Very high	27 Å²	27	65.3 Å²	65.3	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-75.2	-35.9	177.6	-67.6	177.1	0	0	0	112.5	T94 L101 I102 L124 L125 D130	T94-L128 HydrophobicContact CG2-CD2 3.66Å; L101-L128 HydrophobicContact CB-CD1 4.11Å; I102-L128 HydrophobicContact CD1-CB 4.12Å; I102-L128 HydrophobicContact CG1-CB 3.64Å; I102-L128 HydrophobicContact CG1-CD1 4.16Å; L124-L128 HydrophobicContact CD1-CD1 3.92Å; L124-L128 HydrophobicContact CD1-CD2 4.47Å; L124-L128 HydrophobicContact CD1-CG 4.01Å; L124-L128 HydrophobicContact CD2-CD1 4.35Å; L124-L128 HydrophobicContact CG-CD1 3.78Å; L124-L128 HydrophobicContact CG-CG 4.24Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 2.73Å; L125-L128 PolarHBondContact O-N 2.71Å; L128-D130 PolarHBondContact O-N 3.4Å; L128-D130 VanDerWaalsContact O-N 3.15Å
129	E	85.9	Confident	92.3	Very high	64 Å²	64	66.2 Å²	66.2	30%	0.299	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	37.3	175.7	-61.8	-172.2	153	0	0	111.8	I102 K106 L125 R131	I102-E129 HydrophobicContact CD1-CG 4.09Å; I102-E129 HydrophobicContact CG1-CG 4.27Å; I102-E129 HydrophobicContact CG2-CG 4.16Å; K106-E129 WeakPolarHBondContact CE-OE1 3.49Å; K106-E129 IonicContact NZ-OE1 3.7Å; K106-E129 PolarHBondContact NZ-OE1 3.41Å; L125-E129 WeakPolarHBondContact O-CB 3.44Å; L125-E129 WeakPolarHBondContact O-CG 3.37Å; L125-E129 PolarHBondContact O-N 3.36Å; E129-R131 PolarHBondContact O-N 3.35Å
130	D	85.3	Confident	92.5	Very high	71 Å²	71	61 Å²	61	38%	0.38	31%	0.309	S	S	.	.			trans	-65.2	121.1	177.4	-176.3	27.3	0	0	0	110.3	L128 S132 G248	L128-D130 PolarHBondContact O-N 3.4Å; L128-D130 VanDerWaalsContact O-N 3.15Å; D130-S132 VanDerWaalsContact OD1-CB 3.27Å; D130-S132 WeakPolarHBondContact OD1-CB 3.24Å; D130-S132 PolarHBondContact OD1-N 2.78Å; D130-S132 PolarHBondContact OD1-OG 2.54Å; D130-S132 WeakPolarHBondContact OD2-CB 3.11Å; D130-S132 PolarHBondContact OD2-OG 2.88Å; D130-G248 WeakPolarHBondContact OD1-CA 3.46Å
131	R	92.6	Very high	92.6	Very high	99 Å²	99	64 Å²	64	37%	0.374	32%	0.317	S	S	.	.			trans	-109.7	27.6	177.2	-56.7	-178	-151.1	165.5	4.1	111.5	E129 D133 L134 D140 K154 G248	E129-R131 PolarHBondContact O-N 3.35Å; R131-D133 PolarHBondContact O-N 3.25Å; R131-L134 HydrophobicContact CB-CD1 3.99Å; R131-L134 HydrophobicContact CB-CG 4.29Å; R131-L134 HydrophobicContact CG-CD1 4.39Å; R131-L134 PolarHBondContact O-N 2.98Å; R131-L134 VanDerWaalsContact O-N 3.15Å; R131-D140 IonicContact NH1-OD1 2.69Å; R131-K154 PolarHBondContact O-NZ 2.85Å; R131-G248 PolarHBondContact N-O 3.39Å
132	S	94.1	Very high	92.8	Very high	5 Å²	5	66.7 Å²	66.7	4%	0.035	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.4	-176	61.1	0	0	0	0	111.7	D130 L134 R212 N245	D130-S132 VanDerWaalsContact OD1-CB 3.27Å; D130-S132 WeakPolarHBondContact OD1-CB 3.24Å; D130-S132 PolarHBondContact OD1-N 2.78Å; D130-S132 PolarHBondContact OD1-OG 2.54Å; D130-S132 WeakPolarHBondContact OD2-CB 3.11Å; D130-S132 PolarHBondContact OD2-OG 2.88Å; S132-L134 VanDerWaalsContact C-N 3.27Å; S132-L134 PolarHBondContact O-N 2.88Å; S132-R212 PolarHBondContact O-NH1 2.88Å; S132-R212 PolarHBondContact O-NH2 2.87Å; S132-N245 VanDerWaalsContact CB-ND2 3.26Å; S132-N245 WeakPolarHBondContact CB-ND2 3.42Å
133	D	94.6	Very high	93.1	Very high	140 Å²	140	64 Å²	64	75%	0.749	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.3	178.2	-68.1	-31.1	0	0	0	114.1	R131	R131-D133 PolarHBondContact O-N 3.25Å
134	L	97	Very high	93.5	Very high	61 Å²	61	61.5 Å²	61.5	32%	0.319	30%	0.302	S	S	.	.			trans	-72.8	132.4	174.6	-52.1	-177.5	0	0	0	109.7	R131 S132 E139 D140 K154	R131-L134 HydrophobicContact CB-CD1 3.99Å; R131-L134 HydrophobicContact CB-CG 4.29Å; R131-L134 HydrophobicContact CG-CD1 4.39Å; R131-L134 PolarHBondContact O-N 2.98Å; R131-L134 VanDerWaalsContact O-N 3.15Å; S132-L134 VanDerWaalsContact C-N 3.27Å; S132-L134 PolarHBondContact O-N 2.88Å; L134-E139 HydrophobicContact CB-CB 4.11Å; L134-E139 HydrophobicContact CD2-CB 4.32Å; L134-D140 HydrophobicContact CB-CB 3.88Å; L134-D140 HydrophobicContact CD1-CB 3.86Å; L134-K154 VanDerWaalsContact O-CD 3.24Å; L134-K154 WeakPolarHBondContact O-CD 3.43Å; L134-K154 WeakPolarHBondContact O-CE 3.4Å; L134-K154 PolarHBondContact O-NZ 3.03Å
135	E	98.1	Very high	93.9	Very high	36 Å²	36	62 Å²	62	17%	0.168	31%	0.307	C	S	.	.			trans	-117.6	-35.5	-171.7	177.7	58.8	-154.6	0	0	113.2	E139 T153 K154 S155 R212	E135-E139 PolarHBondContact N-OE2 3.34Å; E135-T153 CarbonylContact O-C 3.58Å; E135-T153 VanDerWaalsContact O-CA 3.22Å; E135-T153 WeakPolarHBondContact O-CA 3.36Å; E135-T153 VanDerWaalsContact OE1-CB 3.27Å; E135-T153 WeakPolarHBondContact OE1-CB 3.46Å; E135-T153 PolarHBondContact OE1-OG1 2.89Å; E135-K154 PolarHBondContact O-N 3.38Å; E135-K154 PolarHBondContact OE1-N 3.38Å; E135-S155 VanDerWaalsContact CD-OG 3.29Å; E135-S155 WeakPolarHBondContact OE1-CB 3.43Å; E135-S155 PolarHBondContact OE1-N 3.34Å; E135-S155 PolarHBondContact OE1-OG 3.5Å; E135-S155 PolarHBondContact OE2-OG 3.11Å; E135-R212 IonicContact OE2-CZ 2.72Å; E135-R212 IonicContact OE2-NE 2.67Å; E135-R212 PolarHBondContact OE2-NE 3.4Å; E135-R212 VanDerWaalsContact OE2-NE 3.16Å; E135-R212 IonicContact OE2-NH2 3.74Å; E135-R212 PolarHBondContact OE2-NH2 3.2Å
136	T	98.5	Very high	94.3	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.239	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-91.6	160.1	-174.3	67.4	0	0	0	0	112.1	E138 E139 D140 K152	T136-E138 WeakPolarHBondContact CB-OE2 3.41Å; T136-E138 PolarHBondContact O-N 3.47Å; T136-E139 PolarHBondContact N-OE2 3.08Å; T136-E139 PolarHBondContact O-N 3.3Å; T136-E139 WeakPolarHBondContact OG1-CB 3.1Å; T136-E139 WeakPolarHBondContact OG1-CG 3.43Å; T136-E139 PolarHBondContact OG1-N 3.15Å; T136-E139 PolarHBondContact OG1-OE2 3.36Å; T136-D140 PolarHBondContact O-N 3.41Å; T136-K152 CarbonylContact C-O 3.59Å; T136-K152 WeakPolarHBondContact CA-O 3.45Å
137	R	98.1	Very high	94.8	Very high	42 Å²	42	63.6 Å²	63.6	16%	0.158	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-32.6	176.5	-180	179.1	-72.6	-105.6	4.4	111.9	E139 E141 F144 V147 D148 F151 K152	R137-E139 VanDerWaalsContact C-N 3.32Å; R137-E141 WeakPolarHBondContact O-CA 3.3Å; R137-E141 PolarHBondContact O-N 3.28Å; R137-F144 HydrophobicContact CB-CD1 4.26Å; R137-F144 HydrophobicContact CB-CD2 3.83Å; R137-F144 HydrophobicContact CB-CE1 4.25Å; R137-F144 HydrophobicContact CB-CE2 3.87Å; R137-F144 HydrophobicContact CB-CG 4.03Å; R137-F144 HydrophobicContact CB-CZ 4.05Å; R137-F144 HydrophobicContact CG-CB 4.07Å; R137-F144 HydrophobicContact CG-CD1 4.36Å; R137-F144 HydrophobicContact CG-CD2 3.93Å; R137-F144 HydrophobicContact CG-CE2 4.48Å; R137-F144 HydrophobicContact CG-CG 3.87Å; R137-F144 VanDerWaalsContact CZ-CB 3.45Å; R137-V147 PolarHBondContact NH1-O 3.07Å; R137-V147 PolarHBondContact NH2-O 3Å; R137-D148 PolarHBondContact NH2-O 3.48Å; R137-F151 PolarHBondContact NE-O 3.22Å; R137-F151 PolarHBondContact NH2-O 3.37Å; R137-F151 VanDerWaalsContact NH2-O 3.13Å; R137-K152 PolarHBondContact N-O 3.42Å
138	E	97.6	Very high	95.5	Very high	142 Å²	142	62.5 Å²	62.5	66%	0.664	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-34.8	177.8	-63.6	70.5	-155.4	0	0	111.3	T136	T136-E138 WeakPolarHBondContact CB-OE2 3.41Å; T136-E138 PolarHBondContact O-N 3.47Å
139	E	97.8	Very high	96	Very high	108 Å²	108	66.2 Å²	66.2	51%	0.505	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-34.2	176.8	-70.9	160.5	162	0	0	113.4	L134 E135 T136 R137	L134-E139 HydrophobicContact CB-CB 4.11Å; L134-E139 HydrophobicContact CD2-CB 4.32Å; E135-E139 PolarHBondContact N-OE2 3.34Å; T136-E139 PolarHBondContact N-OE2 3.08Å; T136-E139 PolarHBondContact O-N 3.3Å; T136-E139 WeakPolarHBondContact OG1-CB 3.1Å; T136-E139 WeakPolarHBondContact OG1-CG 3.43Å; T136-E139 PolarHBondContact OG1-N 3.15Å; T136-E139 PolarHBondContact OG1-OE2 3.36Å; R137-E139 VanDerWaalsContact C-N 3.32Å
140	D	97.4	Very high	96.6	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.027	37%	0.365	C	S	.	.			trans	-141.6	67.2	-172.5	-169.1	6.5	0	0	0	113.1	R131 L134 T136 D142 W143 F144 K154	R131-D140 IonicContact NH1-OD1 2.69Å; L134-D140 HydrophobicContact CB-CB 3.88Å; L134-D140 HydrophobicContact CD1-CB 3.86Å; T136-D140 PolarHBondContact O-N 3.41Å; D140-D142 VanDerWaalsContact C-N 3.28Å; D140-D142 PolarHBondContact O-N 3.45Å; D140-W143 HydrophobicContact CB-CB 4.33Å; D140-W143 WeakPolarHBondContact O-CB 3.28Å; D140-W143 PolarHBondContact O-N 2.85Å; D140-W143 PolarHBondContact OD1-N 3.18Å; D140-W143 VanDerWaalsContact OD2-CB 3.3Å; D140-W143 WeakPolarHBondContact OD2-CB 3.44Å; D140-F144 VanDerWaalsContact O-CD2 3.28Å; D140-F144 WeakPolarHBondContact O-CD2 3.27Å; D140-K154 VanDerWaalsContact OD2-CE 3.23Å; D140-K154 WeakPolarHBondContact OD2-CE 3.49Å; D140-K154 IonicContact OD2-NZ 3.49Å; D140-K154 PolarHBondContact OD2-NZ 3.23Å
141	E	97.6	Very high	97.2	Very high	154 Å²	154	67.1 Å²	67.1	72%	0.72	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-39.5	-176.3	-172	178.9	-175.7	0	0	113.1	R137 W143 F144 T145	R137-E141 WeakPolarHBondContact O-CA 3.3Å; R137-E141 PolarHBondContact O-N 3.28Å; E141-W143 VanDerWaalsContact C-N 3.31Å; E141-W143 PolarHBondContact O-N 2.84Å; E141-F144 PolarHBondContact O-N 2.89Å; E141-T145 PolarHBondContact O-N 2.92Å
142	D	97.1	Very high	97.5	Very high	74 Å²	74	67.7 Å²	67.7	40%	0.396	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-44.9	-179.7	175.9	64.1	0	0	0	111.3	D140 F144 T145	D140-D142 VanDerWaalsContact C-N 3.28Å; D140-D142 PolarHBondContact O-N 3.45Å; D142-F144 PolarHBondContact O-N 3.11Å; D142-T145 VanDerWaalsContact O-CB 3.25Å; D142-T145 WeakPolarHBondContact O-CB 3.49Å; D142-T145 PolarHBondContact O-N 2.88Å; D142-T145 PolarHBondContact O-OG1 3.05Å
143	W	98	Very high	97.7	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-43.8	176.3	-172.6	100.4	0	0	0	110.2	D140 E141 T145 K154 Y157 M158 P246 Y247 R253	D140-W143 HydrophobicContact CB-CB 4.33Å; D140-W143 WeakPolarHBondContact O-CB 3.28Å; D140-W143 PolarHBondContact O-N 2.85Å; D140-W143 PolarHBondContact OD1-N 3.18Å; D140-W143 VanDerWaalsContact OD2-CB 3.3Å; D140-W143 WeakPolarHBondContact OD2-CB 3.44Å; E141-W143 VanDerWaalsContact C-N 3.31Å; E141-W143 PolarHBondContact O-N 2.84Å; W143-T145 VanDerWaalsContact C-N 3.29Å; W143-T145 PolarHBondContact O-N 3.41Å; W143-K154 HydrophobicContact CD2-CD 3.86Å; W143-K154 HydrophobicContact CD2-CG 3.74Å; W143-K154 HydrophobicContact CE3-CB 4.49Å; W143-K154 HydrophobicContact CE3-CD 4.38Å; W143-K154 HydrophobicContact CE3-CG 3.74Å; W143-K154 HydrophobicContact CG-CD 4.05Å; W143-K154 HydrophobicContact CG-CG 4.37Å; W143-K154 HydrophobicContact CH2-CB 3.73Å; W143-K154 HydrophobicContact CH2-CG 3.88Å; W143-K154 HydrophobicContact CZ2-CB 3.88Å; W143-K154 HydrophobicContact CZ2-CD 4.19Å; W143-K154 HydrophobicContact CZ2-CG 3.91Å; W143-K154 HydrophobicContact CZ3-CB 4.08Å; W143-K154 HydrophobicContact CZ3-CG 3.82Å; W143-Y157 AromaticContact CH2-CD1 3.53Å; W143-Y157 HydrophobicContact CH2-CD1 3.53Å; W143-Y157 HydrophobicContact CH2-CE1 4.33Å; W143-Y157 HydrophobicContact CH2-CG 4.05Å; W143-Y157 HydrophobicContact CZ2-CD1 4.38Å; W143-Y157 HydrophobicContact CZ3-CD1 4.2Å; W143-Y157 HydrophobicContact CZ3-CG 4.33Å; W143-M158 HydrophobicContact CH2-CG 4.48Å; W143-M158 HydrophobicContact CZ2-CG 4.44Å; W143-M158 HydrophobicContact CZ2-SD 4.45Å; W143-P246 PolarHBondContact NE1-O 3.19Å; W143-Y247 PolarHBondContact NE1-O 3.36Å; W143-R253 HydrophobicContact CH2-CG 4.32Å; W143-R253 HydrophobicContact CZ2-CB 4.23Å; W143-R253 VanDerWaalsContact CZ2-CD 3.42Å; W143-R253 HydrophobicContact CZ2-CG 3.8Å; W143-R253 PolarHBondContact O-NH1 3.44Å; W143-R253 PolarHBondContact O-NH2 2.74Å
144	F	98.5	Very high	97.9	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.009	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.3	-177.7	-67.6	-95.3	0	0	0	115.6	R137 D140 E141 D142 G146 V147 T153 K154	R137-F144 HydrophobicContact CB-CD1 4.26Å; R137-F144 HydrophobicContact CB-CD2 3.83Å; R137-F144 HydrophobicContact CB-CE1 4.25Å; R137-F144 HydrophobicContact CB-CE2 3.87Å; R137-F144 HydrophobicContact CB-CG 4.03Å; R137-F144 HydrophobicContact CB-CZ 4.05Å; R137-F144 HydrophobicContact CG-CB 4.07Å; R137-F144 HydrophobicContact CG-CD1 4.36Å; R137-F144 HydrophobicContact CG-CD2 3.93Å; R137-F144 HydrophobicContact CG-CE2 4.48Å; R137-F144 HydrophobicContact CG-CG 3.87Å; R137-F144 VanDerWaalsContact CZ-CB 3.45Å; D140-F144 VanDerWaalsContact O-CD2 3.28Å; D140-F144 WeakPolarHBondContact O-CD2 3.27Å; E141-F144 PolarHBondContact O-N 2.89Å; D142-F144 PolarHBondContact O-N 3.11Å; F144-G146 PolarHBondContact O-N 2.72Å; F144-G146 VanDerWaalsContact O-N 3.16Å; F144-V147 HydrophobicContact CD1-CG1 4.21Å; F144-V147 WeakPolarHBondContact O-CB 3.47Å; F144-V147 PolarHBondContact O-N 3.44Å; F144-T153 VanDerWaalsContact CZ-C 3.48Å; F144-K154 HydrophobicContact CE2-CG 3.92Å; F144-K154 HydrophobicContact CZ-CB 4.48Å; F144-K154 HydrophobicContact CZ-CG 3.79Å
145	T	98.1	Very high	98	Very high	63 Å²	63	60.1 Å²	60.1	39%	0.387	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	122.1	174.4	-60.5	0	0	0	0	110.8	E141 D142 W143 R253	E141-T145 PolarHBondContact O-N 2.92Å; D142-T145 VanDerWaalsContact O-CB 3.25Å; D142-T145 WeakPolarHBondContact O-CB 3.49Å; D142-T145 PolarHBondContact O-N 2.88Å; D142-T145 PolarHBondContact O-OG1 3.05Å; W143-T145 VanDerWaalsContact C-N 3.29Å; W143-T145 PolarHBondContact O-N 3.41Å; T145-R253 PolarHBondContact O-NH2 2.81Å
146	G	96.9	Very high	98	Very high	84 Å²	84	60.3 Å²	60.3	87%	0.866	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	7.8	-176.4	0	0	0	0	0	115.3	F144	F144-G146 PolarHBondContact O-N 2.72Å; F144-G146 VanDerWaalsContact O-N 3.16Å
147	V	97.9	Very high	98	Very high	14 Å²	14	60.6 Å²	60.6	9%	0.085	32%	0.322	C	S	.	.	S	Bend	trans	-105.8	134.3	172.1	164.4	0	0	0	0	111.3	R137 F144 V149 F151 Y157 R253	R137-V147 PolarHBondContact NH1-O 3.07Å; R137-V147 PolarHBondContact NH2-O 3Å; F144-V147 HydrophobicContact CD1-CG1 4.21Å; F144-V147 WeakPolarHBondContact O-CB 3.47Å; F144-V147 PolarHBondContact O-N 3.44Å; V147-V149 PolarHBondContact O-N 3.38Å; V147-F151 HydrophobicContact CG1-CB 3.95Å; V147-F151 HydrophobicContact CG1-CD2 3.67Å; V147-F151 HydrophobicContact CG1-CG 4.2Å; V147-Y157 HydrophobicContact CB-CD2 4.31Å; V147-Y157 HydrophobicContact CB-CE2 4.36Å; V147-Y157 HydrophobicContact CG1-CD2 3.48Å; V147-Y157 VanDerWaalsContact CG1-CD2 3.48Å; V147-Y157 HydrophobicContact CG1-CE2 3.97Å; V147-Y157 HydrophobicContact CG1-CG 4.15Å; V147-Y157 HydrophobicContact CG2-CD2 3.72Å; V147-Y157 HydrophobicContact CG2-CE1 4.48Å; V147-Y157 HydrophobicContact CG2-CE2 3.39Å; V147-Y157 HydrophobicContact CG2-CG 4.37Å; V147-R253 VanDerWaalsContact CG2-CZ 3.45Å
148	D	97.8	Very high	98	Very high	83 Å²	83	58.6 Å²	58.6	44%	0.444	31%	0.314	S	S	.	.			trans	-46.1	131.9	178.5	-171.4	-57.5	0	0	0	112.4	R137 R150 F151	R137-D148 PolarHBondContact NH2-O 3.48Å; D148-R150 HydrophobicContact CB-CG 4.32Å; D148-R150 PolarHBondContact O-N 3.33Å; D148-R150 VanDerWaalsContact OD1-CB 3.3Å; D148-R150 WeakPolarHBondContact OD1-CB 3.44Å; D148-R150 WeakPolarHBondContact OD1-CD 3.49Å; D148-R150 WeakPolarHBondContact OD1-CG 3.36Å; D148-R150 PolarHBondContact OD1-N 2.85Å; D148-F151 HydrophobicContact CB-CD2 3.96Å; D148-F151 HydrophobicContact CB-CE2 4.05Å; D148-F151 WeakPolarHBondContact O-CD2 3.38Å; D148-F151 PolarHBondContact O-N 3.28Å
149	V	97.3	Very high	98.1	Very high	104 Å²	104	54 Å²	54	63%	0.63	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.9	-174.1	-63.3	0	0	0	0	114.2	V147 F151 K152	V147-V149 PolarHBondContact O-N 3.38Å; V149-F151 PolarHBondContact O-N 3.48Å; V149-K152 WeakPolarHBondContact O-CE 3.39Å; V149-K152 PolarHBondContact O-NZ 3.4Å
150	R	97.8	Very high	98.1	Very high	136 Å²	136	53 Å²	53	51%	0.513	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.9	174.2	78.4	-168.2	179.9	-175.2	-8.4	112.8	D148 K152 Y160	D148-R150 HydrophobicContact CB-CG 4.32Å; D148-R150 PolarHBondContact O-N 3.33Å; D148-R150 VanDerWaalsContact OD1-CB 3.3Å; D148-R150 WeakPolarHBondContact OD1-CB 3.44Å; D148-R150 WeakPolarHBondContact OD1-CD 3.49Å; D148-R150 WeakPolarHBondContact OD1-CG 3.36Å; D148-R150 PolarHBondContact OD1-N 2.85Å; R150-K152 PolarHBondContact O-N 3.03Å; R150-Y160 VanDerWaalsContact NH2-CE2 3.33Å; R150-Y160 PolarHBondContact NH2-OH 3.23Å
151	F	98.3	Very high	98.1	Very high	19 Å²	19	53.8 Å²	53.8	8%	0.083	29%	0.289	C	S	.	.			trans	-84.7	111.4	178.8	-61.4	-68.1	0	0	0	110	R137 V147 D148 V149 A156 Y157 Y160	R137-F151 PolarHBondContact NE-O 3.22Å; R137-F151 PolarHBondContact NH2-O 3.37Å; R137-F151 VanDerWaalsContact NH2-O 3.13Å; V147-F151 HydrophobicContact CG1-CB 3.95Å; V147-F151 HydrophobicContact CG1-CD2 3.67Å; V147-F151 HydrophobicContact CG1-CG 4.2Å; D148-F151 HydrophobicContact CB-CD2 3.96Å; D148-F151 HydrophobicContact CB-CE2 4.05Å; D148-F151 WeakPolarHBondContact O-CD2 3.38Å; D148-F151 PolarHBondContact O-N 3.28Å; V149-F151 PolarHBondContact O-N 3.48Å; F151-A156 HydrophobicContact CD1-CB 4.34Å; F151-Y157 AromaticContact CD2-CD2 3.98Å; F151-Y157 HydrophobicContact CD2-CD2 3.98Å; F151-Y157 HydrophobicContact CE2-CD2 4.15Å; F151-Y157 HydrophobicContact CG-CD2 4.34Å; F151-Y160 HydrophobicContact CE1-CD1 4.18Å; F151-Y160 HydrophobicContact CE1-CD2 4.45Å; F151-Y160 AromaticContact CE1-CG 3.82Å; F151-Y160 HydrophobicContact CE1-CG 3.82Å; F151-Y160 HydrophobicContact CE2-CD1 4.02Å; F151-Y160 HydrophobicContact CE2-CE1 4.37Å; F151-Y160 HydrophobicContact CE2-CG 4.44Å; F151-Y160 AromaticContact CZ-CD1 3.37Å; F151-Y160 HydrophobicContact CZ-CD1 3.37Å; F151-Y160 AromaticContact CZ-CD2 3.99Å; F151-Y160 HydrophobicContact CZ-CD2 3.99Å; F151-Y160 AromaticContact CZ-CE1 3.96Å; F151-Y160 HydrophobicContact CZ-CE1 3.96Å; F151-Y160 AromaticContact CZ-CG 3.38Å; F151-Y160 HydrophobicContact CZ-CG 3.38Å
152	K	98.2	Very high	98.2	Very high	110 Å²	110	46.5 Å²	46.5	48%	0.478	26%	0.255	S	S	.	.			trans	-93.8	-18.5	178.8	-56.1	-52.1	-175	-171.9	0	113.7	T136 R137 V149 R150	T136-K152 CarbonylContact C-O 3.59Å; T136-K152 WeakPolarHBondContact CA-O 3.45Å; R137-K152 PolarHBondContact N-O 3.42Å; V149-K152 WeakPolarHBondContact O-CE 3.39Å; V149-K152 PolarHBondContact O-NZ 3.4Å; R150-K152 PolarHBondContact O-N 3.03Å
153	T	98.7	Very high	98.2	Very high	44 Å²	44	44.4 Å²	44.4	27%	0.27	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-132.1	151.8	179.2	75.2	0	0	0	0	111.8	E135 F144 S155 A156 Y157	E135-T153 CarbonylContact O-C 3.58Å; E135-T153 VanDerWaalsContact O-CA 3.22Å; E135-T153 WeakPolarHBondContact O-CA 3.36Å; E135-T153 VanDerWaalsContact OE1-CB 3.27Å; E135-T153 WeakPolarHBondContact OE1-CB 3.46Å; E135-T153 PolarHBondContact OE1-OG1 2.89Å; F144-T153 VanDerWaalsContact CZ-C 3.48Å; T153-S155 VanDerWaalsContact C-N 3.28Å; T153-S155 PolarHBondContact O-N 3.19Å; T153-A156 PolarHBondContact O-N 3.34Å; T153-A156 VanDerWaalsContact OG1-CB 3.27Å; T153-A156 WeakPolarHBondContact OG1-CB 3.32Å; T153-A156 PolarHBondContact OG1-N 3.24Å; T153-A156 VanDerWaalsContact OG1-N 3.14Å; T153-Y157 PolarHBondContact O-N 3Å
154	K	98.8	Very high	98.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-42.3	179.2	-64.4	-174	-177.2	170.8	0	109.9	R131 L134 E135 D140 W143 F144 A156 Y157 M158 Y247	R131-K154 PolarHBondContact O-NZ 2.85Å; L134-K154 VanDerWaalsContact O-CD 3.24Å; L134-K154 WeakPolarHBondContact O-CD 3.43Å; L134-K154 WeakPolarHBondContact O-CE 3.4Å; L134-K154 PolarHBondContact O-NZ 3.03Å; E135-K154 PolarHBondContact O-N 3.38Å; E135-K154 PolarHBondContact OE1-N 3.38Å; D140-K154 VanDerWaalsContact OD2-CE 3.23Å; D140-K154 WeakPolarHBondContact OD2-CE 3.49Å; D140-K154 IonicContact OD2-NZ 3.49Å; D140-K154 PolarHBondContact OD2-NZ 3.23Å; W143-K154 HydrophobicContact CD2-CD 3.86Å; W143-K154 HydrophobicContact CD2-CG 3.74Å; W143-K154 HydrophobicContact CE3-CB 4.49Å; W143-K154 HydrophobicContact CE3-CD 4.38Å; W143-K154 HydrophobicContact CE3-CG 3.74Å; W143-K154 HydrophobicContact CG-CD 4.05Å; W143-K154 HydrophobicContact CG-CG 4.37Å; W143-K154 HydrophobicContact CH2-CB 3.73Å; W143-K154 HydrophobicContact CH2-CG 3.88Å; W143-K154 HydrophobicContact CZ2-CB 3.88Å; W143-K154 HydrophobicContact CZ2-CD 4.19Å; W143-K154 HydrophobicContact CZ2-CG 3.91Å; W143-K154 HydrophobicContact CZ3-CB 4.08Å; W143-K154 HydrophobicContact CZ3-CG 3.82Å; F144-K154 HydrophobicContact CE2-CG 3.92Å; F144-K154 HydrophobicContact CZ-CB 4.48Å; F144-K154 HydrophobicContact CZ-CG 3.79Å; K154-A156 PolarHBondContact O-N 2.99Å; K154-Y157 PolarHBondContact O-N 3.08Å; K154-M158 WeakPolarHBondContact O-CB 3.46Å; K154-M158 VanDerWaalsContact O-CG 3.29Å; K154-M158 WeakPolarHBondContact O-CG 3.16Å; K154-M158 PolarHBondContact O-N 3.01Å; K154-Y247 HydrophobicContact CB-CD1 3.55Å; K154-Y247 HydrophobicContact CB-CE1 3.9Å; K154-Y247 HydrophobicContact CD-CD1 4.24Å; K154-Y247 WeakPolarHBondContact CD-O 3.5Å; K154-Y247 WeakPolarHBondContact CE-O 3.21Å; K154-Y247 PolarHBondContact NZ-O 2.94Å
155	S	98.6	Very high	98.2	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-39.4	179.6	-57.5	0	0	0	0	112.5	E135 T153 Y157 M158 K159 D211 Y247	E135-S155 VanDerWaalsContact CD-OG 3.29Å; E135-S155 WeakPolarHBondContact OE1-CB 3.43Å; E135-S155 PolarHBondContact OE1-N 3.34Å; E135-S155 PolarHBondContact OE1-OG 3.5Å; E135-S155 PolarHBondContact OE2-OG 3.11Å; T153-S155 VanDerWaalsContact C-N 3.28Å; T153-S155 PolarHBondContact O-N 3.19Å; S155-Y157 VanDerWaalsContact C-N 3.35Å; S155-Y157 PolarHBondContact O-N 2.83Å; S155-M158 PolarHBondContact O-N 3.02Å; S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.32Å; S155-K159 PolarHBondContact O-N 2.64Å; S155-D211 WeakPolarHBondContact CB-OD1 3.42Å; S155-Y247 WeakPolarHBondContact OG-CE1 3.36Å
156	A	98.6	Very high	98.2	Very high	40 Å²	40	45.2 Å²	45.2	33%	0.331	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-41.5	175.3	0	0	0	0	0	112	F151 T153 K154 Y160	F151-A156 HydrophobicContact CD1-CB 4.34Å; T153-A156 PolarHBondContact O-N 3.34Å; T153-A156 VanDerWaalsContact OG1-CB 3.27Å; T153-A156 WeakPolarHBondContact OG1-CB 3.32Å; T153-A156 PolarHBondContact OG1-N 3.24Å; T153-A156 VanDerWaalsContact OG1-N 3.14Å; K154-A156 PolarHBondContact O-N 2.99Å; A156-Y160 WeakPolarHBondContact O-CB 3.29Å; A156-Y160 PolarHBondContact O-N 2.91Å; A156-Y160 VanDerWaalsContact O-N 3.12Å
157	Y	98.7	Very high	98.2	Very high	45 Å²	45	44.8 Å²	44.8	18%	0.176	22%	0.217	C	C	.	.	H	α-helix	trans	-65.3	-47	173.6	171.2	-93.4	0	0	0	111.9	W143 V147 F151 T153 K154 S155 K159 Y160 N161 R253	W143-Y157 AromaticContact CH2-CD1 3.53Å; W143-Y157 HydrophobicContact CH2-CD1 3.53Å; W143-Y157 HydrophobicContact CH2-CE1 4.33Å; W143-Y157 HydrophobicContact CH2-CG 4.05Å; W143-Y157 HydrophobicContact CZ2-CD1 4.38Å; W143-Y157 HydrophobicContact CZ3-CD1 4.2Å; W143-Y157 HydrophobicContact CZ3-CG 4.33Å; V147-Y157 HydrophobicContact CB-CD2 4.31Å; V147-Y157 HydrophobicContact CB-CE2 4.36Å; V147-Y157 HydrophobicContact CG1-CD2 3.48Å; V147-Y157 VanDerWaalsContact CG1-CD2 3.48Å; V147-Y157 HydrophobicContact CG1-CE2 3.97Å; V147-Y157 HydrophobicContact CG1-CG 4.15Å; V147-Y157 HydrophobicContact CG2-CD2 3.72Å; V147-Y157 HydrophobicContact CG2-CE1 4.48Å; V147-Y157 HydrophobicContact CG2-CE2 3.39Å; V147-Y157 HydrophobicContact CG2-CG 4.37Å; F151-Y157 AromaticContact CD2-CD2 3.98Å; F151-Y157 HydrophobicContact CD2-CD2 3.98Å; F151-Y157 HydrophobicContact CE2-CD2 4.15Å; F151-Y157 HydrophobicContact CG-CD2 4.34Å; T153-Y157 PolarHBondContact O-N 3Å; K154-Y157 PolarHBondContact O-N 3.08Å; S155-Y157 VanDerWaalsContact C-N 3.35Å; S155-Y157 PolarHBondContact O-N 2.83Å; Y157-K159 VanDerWaalsContact C-N 3.34Å; Y157-K159 PolarHBondContact O-N 3.07Å; Y157-Y160 CarbonylContact O-C 3.51Å; Y157-Y160 WeakPolarHBondContact O-CB 3.34Å; Y157-Y160 PolarHBondContact O-N 3.11Å; Y157-Y160 VanDerWaalsContact O-N 3.16Å; Y157-N161 HydrophobicContact CE1-CB 4.41Å; Y157-N161 WeakPolarHBondContact O-CB 3.49Å; Y157-N161 PolarHBondContact O-N 3.34Å; Y157-R253 HydrophobicContact CD1-CG 4.49Å; Y157-R253 HydrophobicContact CE1-CG 3.82Å
158	M	98.7	Very high	98.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-39.6	-177.4	-71	-58.5	-62.8	0	0	111.9	W143 K154 S155 N161 C162 F210 F227 P246 Y247 F256	W143-M158 HydrophobicContact CH2-CG 4.48Å; W143-M158 HydrophobicContact CZ2-CG 4.44Å; W143-M158 HydrophobicContact CZ2-SD 4.45Å; K154-M158 WeakPolarHBondContact O-CB 3.46Å; K154-M158 VanDerWaalsContact O-CG 3.29Å; K154-M158 WeakPolarHBondContact O-CG 3.16Å; K154-M158 PolarHBondContact O-N 3.01Å; S155-M158 PolarHBondContact O-N 3.02Å; M158-N161 WeakPolarHBondContact O-CB 3.35Å; M158-N161 PolarHBondContact O-N 2.83Å; M158-C162 PolarHBondContact O-N 3.05Å; M158-F210 HydrophobicContact CB-CB 4.33Å; M158-F210 WeakPolarHBondContact CB-O 3.37Å; M158-F210 HydrophobicContact CE-CB 4.33Å; M158-F210 HydrophobicContact CE-CD2 4.45Å; M158-F210 WeakPolarHBondContact O-CB 3.44Å; M158-F227 HydrophobicContact CE-CE2 4.37Å; M158-F227 HydrophobicContact CE-CZ 4.43Å; M158-P246 HydrophobicContact CE-CB 3.79Å; M158-P246 HydrophobicContact CE-CG 3.41Å; M158-P246 VanDerWaalsContact CE-CG 3.41Å; M158-P246 HydrophobicContact SD-CB 4.17Å; M158-P246 HydrophobicContact SD-CG 4.31Å; M158-Y247 HydrophobicContact CB-CE1 4.35Å; M158-Y247 HydrophobicContact CG-CE1 3.9Å; M158-Y247 HydrophobicContact CG-CE2 4.07Å; M158-F256 HydrophobicContact CE-CD1 3.58Å; M158-F256 HydrophobicContact CE-CE1 3.47Å; M158-F256 VanDerWaalsContact CE-CE1 3.47Å; M158-F256 HydrophobicContact CE-CZ 4.36Å
159	K	98.6	Very high	98.1	Very high	47 Å²	47	42.5 Å²	42.5	20%	0.204	21%	0.209	C	C	.	.	H	α-helix	trans	-55.5	-53.7	169.2	-179	171.8	-172.1	152.8	0	111.3	S155 Y157 N161 C162 E163 D211 E214	S155-K159 VanDerWaalsContact O-CB 3.23Å; S155-K159 WeakPolarHBondContact O-CB 3.32Å; S155-K159 PolarHBondContact O-N 2.64Å; Y157-K159 VanDerWaalsContact C-N 3.34Å; Y157-K159 PolarHBondContact O-N 3.07Å; K159-N161 VanDerWaalsContact C-N 3.28Å; K159-N161 PolarHBondContact O-N 3Å; K159-C162 WeakPolarHBondContact O-CB 3.45Å; K159-C162 PolarHBondContact O-N 3.12Å; K159-C162 VanDerWaalsContact O-N 3.15Å; K159-E163 WeakPolarHBondContact O-CG 3.3Å; K159-E163 PolarHBondContact O-N 3.2Å; K159-D211 HydrophobicContact CB-CB 4.19Å; K159-E214 IonicContact NZ-OE1 3.94Å; K159-E214 PolarHBondContact NZ-OE1 3.14Å
160	Y	98.6	Very high	98	Very high	86 Å²	86	38.2 Å²	38.2	34%	0.337	18%	0.183	S	C	.	.	H	α-helix	trans	-59.9	-36.9	177.5	171.8	-98	0	0	0	113.1	R150 F151 A156 Y157 E163 S164	R150-Y160 VanDerWaalsContact NH2-CE2 3.33Å; R150-Y160 PolarHBondContact NH2-OH 3.23Å; F151-Y160 HydrophobicContact CE1-CD1 4.18Å; F151-Y160 HydrophobicContact CE1-CD2 4.45Å; F151-Y160 AromaticContact CE1-CG 3.82Å; F151-Y160 HydrophobicContact CE1-CG 3.82Å; F151-Y160 HydrophobicContact CE2-CD1 4.02Å; F151-Y160 HydrophobicContact CE2-CE1 4.37Å; F151-Y160 HydrophobicContact CE2-CG 4.44Å; F151-Y160 AromaticContact CZ-CD1 3.37Å; F151-Y160 HydrophobicContact CZ-CD1 3.37Å; F151-Y160 AromaticContact CZ-CD2 3.99Å; F151-Y160 HydrophobicContact CZ-CD2 3.99Å; F151-Y160 AromaticContact CZ-CE1 3.96Å; F151-Y160 HydrophobicContact CZ-CE1 3.96Å; F151-Y160 AromaticContact CZ-CG 3.38Å; F151-Y160 HydrophobicContact CZ-CG 3.38Å; A156-Y160 WeakPolarHBondContact O-CB 3.29Å; A156-Y160 PolarHBondContact O-N 2.91Å; A156-Y160 VanDerWaalsContact O-N 3.12Å; Y157-Y160 CarbonylContact O-C 3.51Å; Y157-Y160 WeakPolarHBondContact O-CB 3.34Å; Y157-Y160 PolarHBondContact O-N 3.11Å; Y157-Y160 VanDerWaalsContact O-N 3.16Å; Y160-E163 PolarHBondContact O-N 3.29Å; Y160-S164 WeakPolarHBondContact CE1-OG 3.47Å; Y160-S164 VanDerWaalsContact CZ-OG 3.29Å; Y160-S164 WeakPolarHBondContact O-CB 3.27Å; Y160-S164 PolarHBondContact O-N 2.87Å; Y160-S164 PolarHBondContact O-OG 2.7Å
161	N	98.3	Very high	97.9	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.118	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-47.4	175.7	-172.6	-39.5	0	0	0	110.3	Y157 M158 K159 S164 R165	Y157-N161 HydrophobicContact CE1-CB 4.41Å; Y157-N161 WeakPolarHBondContact O-CB 3.49Å; Y157-N161 PolarHBondContact O-N 3.34Å; M158-N161 WeakPolarHBondContact O-CB 3.35Å; M158-N161 PolarHBondContact O-N 2.83Å; K159-N161 VanDerWaalsContact C-N 3.28Å; K159-N161 PolarHBondContact O-N 3Å; N161-S164 WeakPolarHBondContact O-CB 3.44Å; N161-S164 PolarHBondContact O-N 3.32Å; N161-R165 WeakPolarHBondContact O-CG 3.22Å; N161-R165 PolarHBondContact O-N 2.95Å; N161-R165 VanDerWaalsContact O-N 3.12Å; N161-R165 PolarHBondContact OD1-NE 3.21Å
162	C	98.5	Very high	97.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-50.4	173.9	-175	0	0	0	0	112	M158 K159 S164 R165 I166 N206 F210	M158-C162 PolarHBondContact O-N 3.05Å; K159-C162 WeakPolarHBondContact O-CB 3.45Å; K159-C162 PolarHBondContact O-N 3.12Å; K159-C162 VanDerWaalsContact O-N 3.15Å; C162-S164 PolarHBondContact O-N 2.99Å; C162-R165 WeakPolarHBondContact O-CB 3.5Å; C162-R165 PolarHBondContact O-N 2.89Å; C162-I166 PolarHBondContact O-N 2.79Å; C162-N206 PolarHBondContact SG-O 2.9Å; C162-F210 HydrophobicContact CB-CB 3.84Å; C162-F210 HydrophobicContact CB-CD1 4.29Å; C162-F210 HydrophobicContact CB-CD2 3.44Å; C162-F210 VanDerWaalsContact CB-CD2 3.44Å; C162-F210 HydrophobicContact CB-CE2 4.01Å; C162-F210 HydrophobicContact CB-CG 3.6Å
163	E	98.4	Very high	97.4	Very high	31 Å²	31	34.7 Å²	34.7	15%	0.145	17%	0.172	C	C	.	.	H	α-helix	trans	-57.1	-37.3	179.7	-63.3	177	-172	0	0	111.6	K159 Y160 I166 R167 G207	K159-E163 WeakPolarHBondContact O-CG 3.3Å; K159-E163 PolarHBondContact O-N 3.2Å; Y160-E163 PolarHBondContact O-N 3.29Å; E163-I166 PolarHBondContact O-N 3.17Å; E163-R167 VanDerWaalsContact CB-NH2 3.32Å; E163-R167 WeakPolarHBondContact O-CB 3.46Å; E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 3.18Å; E163-R167 PolarHBondContact O-N 3.23Å; E163-R167 IonicContact OE2-CZ 3.84Å; E163-R167 IonicContact OE2-NH2 3.75Å; E163-R167 PolarHBondContact OE2-NH2 2.98Å; E163-G207 VanDerWaalsContact CG-CA 3.44Å
164	S	97.8	Very high	97.1	Very high	42 Å²	42	35.5 Å²	35.5	29%	0.294	17%	0.174	S	C	.	.	H	α-helix	trans	-66.3	-39.1	178	-61.2	0	0	0	0	112.2	Y160 N161 C162 R167 G168	Y160-S164 WeakPolarHBondContact CE1-OG 3.47Å; Y160-S164 VanDerWaalsContact CZ-OG 3.29Å; Y160-S164 WeakPolarHBondContact O-CB 3.27Å; Y160-S164 PolarHBondContact O-N 2.87Å; Y160-S164 PolarHBondContact O-OG 2.7Å; N161-S164 WeakPolarHBondContact O-CB 3.44Å; N161-S164 PolarHBondContact O-N 3.32Å; C162-S164 PolarHBondContact O-N 2.99Å; S164-R167 PolarHBondContact O-N 2.67Å; S164-G168 PolarHBondContact O-N 2.6Å
165	R	97.3	Very high	96.8	Very high	40 Å²	40	40.3 Å²	40.3	15%	0.151	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-46.7	173.9	-65.1	178.7	-169.4	-150.3	2.4	111.5	N161 C162 G168 Y169 F256 W259	N161-R165 WeakPolarHBondContact O-CG 3.22Å; N161-R165 PolarHBondContact O-N 2.95Å; N161-R165 VanDerWaalsContact O-N 3.12Å; N161-R165 PolarHBondContact OD1-NE 3.21Å; C162-R165 WeakPolarHBondContact O-CB 3.5Å; C162-R165 PolarHBondContact O-N 2.89Å; R165-G168 WeakPolarHBondContact O-CA 3.28Å; R165-G168 PolarHBondContact O-N 3.44Å; R165-G168 VanDerWaalsContact O-N 3.07Å; R165-Y169 PolarHBondContact O-N 3.04Å; R165-F256 PolarHBondContact NH2-O 2.92Å; R165-W259 PolarHBondContact NH1-O 3.37Å
166	I	97.8	Very high	96.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.8	-40.8	178.1	-60.7	-58.8	0	0	0	111.3	C162 E163 G168 Y169 V170 L200 Y205 N206 L261 F297 L302	C162-I166 PolarHBondContact O-N 2.79Å; E163-I166 PolarHBondContact O-N 3.17Å; I166-G168 PolarHBondContact O-N 3.39Å; I166-Y169 HydrophobicContact CD1-CD2 3.94Å; I166-Y169 HydrophobicContact CD1-CE2 3.84Å; I166-Y169 WeakPolarHBondContact O-CB 3.36Å; I166-Y169 PolarHBondContact O-N 3.02Å; I166-V170 PolarHBondContact O-N 3.23Å; I166-L200 HydrophobicContact CG2-CD1 4.2Å; I166-L200 HydrophobicContact CG2-CD2 3.63Å; I166-Y205 WeakPolarHBondContact CB-O 3.4Å; I166-Y205 WeakPolarHBondContact CG1-O 3.35Å; I166-N206 HydrophobicContact CG1-CB 4.5Å; I166-L261 HydrophobicContact CD1-CD1 4.28Å; I166-F297 HydrophobicContact CG2-CD1 4.13Å; I166-L302 HydrophobicContact CD1-CD1 3.82Å
167	R	97.3	Very high	96.1	Very high	75 Å²	75	39.8 Å²	39.8	28%	0.283	19%	0.194	S	C	.	.	H	α-helix	trans	-60.3	-32.7	171.9	-79.8	-173.8	-104.7	-99.8	6.6	112.5	E163 S164 Y169 V170 K171 Y205	E163-R167 VanDerWaalsContact CB-NH2 3.32Å; E163-R167 WeakPolarHBondContact O-CB 3.46Å; E163-R167 VanDerWaalsContact O-CG 3.32Å; E163-R167 WeakPolarHBondContact O-CG 3.18Å; E163-R167 PolarHBondContact O-N 3.23Å; E163-R167 IonicContact OE2-CZ 3.84Å; E163-R167 IonicContact OE2-NH2 3.75Å; E163-R167 PolarHBondContact OE2-NH2 2.98Å; S164-R167 PolarHBondContact O-N 2.67Å; R167-Y169 VanDerWaalsContact C-N 3.27Å; R167-Y169 PolarHBondContact O-N 3.26Å; R167-V170 WeakPolarHBondContact O-CB 3.18Å; R167-V170 PolarHBondContact O-N 3.24Å; R167-K171 PolarHBondContact O-N 2.97Å; R167-K171 VanDerWaalsContact O-N 3.13Å; R167-Y205 HydrophobicContact CG-CD1 3.59Å; R167-Y205 HydrophobicContact CG-CE1 3.77Å; R167-Y205 HydrophobicContact CG-CG 4.23Å
168	G	96.8	Very high	95.7	Very high	24 Å²	24	43.9 Å²	43.9	25%	0.247	22%	0.219	C	C	.	.	H	α-helix	trans	-57.4	-40.1	170.8	0	0	0	0	0	112.4	S164 R165 I166 K171 E172	S164-G168 PolarHBondContact O-N 2.6Å; R165-G168 WeakPolarHBondContact O-CA 3.28Å; R165-G168 PolarHBondContact O-N 3.44Å; R165-G168 VanDerWaalsContact O-N 3.07Å; I166-G168 PolarHBondContact O-N 3.39Å; G168-K171 WeakPolarHBondContact O-CB 3.42Å; G168-K171 PolarHBondContact O-N 2.84Å; G168-E172 PolarHBondContact O-N 2.8Å
169	Y	97	Very high	95.3	Very high	25 Å²	25	48 Å²	48	10%	0.098	25%	0.248	C	C	.	.	H	α-helix	trans	-68.9	-35.9	178.2	-53.5	-20.9	0	0	0	112.2	R165 I166 R167 E172 V173 L261 H263 K267 L302	R165-Y169 PolarHBondContact O-N 3.04Å; I166-Y169 HydrophobicContact CD1-CD2 3.94Å; I166-Y169 HydrophobicContact CD1-CE2 3.84Å; I166-Y169 WeakPolarHBondContact O-CB 3.36Å; I166-Y169 PolarHBondContact O-N 3.02Å; R167-Y169 VanDerWaalsContact C-N 3.27Å; R167-Y169 PolarHBondContact O-N 3.26Å; Y169-E172 WeakPolarHBondContact O-CB 3.36Å; Y169-E172 PolarHBondContact O-N 3.23Å; Y169-V173 WeakPolarHBondContact O-CG2 3.42Å; Y169-V173 PolarHBondContact O-N 3.43Å; Y169-V173 VanDerWaalsContact O-N 3.11Å; Y169-L261 WeakPolarHBondContact OH-CB 3.47Å; Y169-L261 PolarHBondContact OH-O 3.2Å; Y169-H263 AromaticContact CD2-CE1 3.59Å; Y169-H263 AromaticContact CE2-CE1 3.51Å; Y169-H263 AromaticContact CG-CE1 3.94Å; Y169-H263 AromaticContact CZ-CE1 3.82Å; Y169-K267 HydrophobicContact CD1-CD 4.24Å; Y169-K267 VanDerWaalsContact CE1-NZ 3.28Å; Y169-L302 HydrophobicContact CE2-CD1 4.29Å; Y169-L302 HydrophobicContact CE2-CD2 3.92Å
170	V	95.1	Very high	95	Very high	14 Å²	14	46.6 Å²	46.6	9%	0.085	24%	0.243	C	C	.	.	H	α-helix	trans	-59.4	-46.8	172.3	177.9	0	0	0	0	110.9	I166 R167 E172 V173 D174 V197 L200 F297	I166-V170 PolarHBondContact O-N 3.23Å; R167-V170 WeakPolarHBondContact O-CB 3.18Å; R167-V170 PolarHBondContact O-N 3.24Å; V170-E172 PolarHBondContact O-N 3.49Å; V170-V173 WeakPolarHBondContact O-CB 3.4Å; V170-V173 PolarHBondContact O-N 3.15Å; V170-D174 PolarHBondContact O-N 3.32Å; V170-V197 HydrophobicContact CG1-CG2 3.58Å; V170-L200 HydrophobicContact CG2-CD1 3.2Å; V170-F297 HydrophobicContact CG2-CE1 3.91Å; V170-F297 HydrophobicContact CG2-CZ 4.19Å
171	K	94.9	Very high	94.7	Very high	143 Å²	143	51.7 Å²	51.7	62%	0.622	27%	0.269	S	S	*	.	H	α-helix	trans	-57.3	-36.3	177.4	-66.6	-178	-175.3	-174.6	0	112.2	R167 G168 D174 N175	R167-K171 PolarHBondContact O-N 2.97Å; R167-K171 VanDerWaalsContact O-N 3.13Å; G168-K171 WeakPolarHBondContact O-CB 3.42Å; G168-K171 PolarHBondContact O-N 2.84Å; K171-D174 PolarHBondContact O-N 3.25Å; K171-N175 WeakPolarHBondContact O-CB 3.38Å; K171-N175 PolarHBondContact O-N 2.8Å; K171-N175 PolarHBondContact O-ND2 3.16Å; K171-N175 PolarHBondContact O-OD1 3.12Å
172	E	93.8	Very high	94.5	Very high	44 Å²	44	56.7 Å²	56.7	21%	0.206	29%	0.29	C	S	.	.	H	α-helix	trans	-68.9	-38.2	176.4	-67.8	177	-150.7	0	0	113	G168 Y169 V170 A176 K267 K268	G168-E172 PolarHBondContact O-N 2.8Å; Y169-E172 WeakPolarHBondContact O-CB 3.36Å; Y169-E172 PolarHBondContact O-N 3.23Å; V170-E172 PolarHBondContact O-N 3.49Å; E172-A176 PolarHBondContact O-N 3.44Å; E172-K267 IonicContact OE1-NZ 2.96Å; E172-K267 PolarHBondContact OE1-NZ 2.98Å; E172-K267 WeakPolarHBondContact OE2-CD 3.37Å; E172-K267 WeakPolarHBondContact OE2-CE 3.42Å; E172-K267 IonicContact OE2-NZ 2.99Å; E172-K267 PolarHBondContact OE2-NZ 3.47Å; E172-K268 WeakPolarHBondContact OE2-CE 3.37Å
173	V	93.6	Very high	94.3	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-46.8	172.4	176	0	0	0	0	110	Y169 V170 N175 A176 F189 I272 L296 F297	Y169-V173 WeakPolarHBondContact O-CG2 3.42Å; Y169-V173 PolarHBondContact O-N 3.43Å; Y169-V173 VanDerWaalsContact O-N 3.11Å; V170-V173 WeakPolarHBondContact O-CB 3.4Å; V170-V173 PolarHBondContact O-N 3.15Å; V173-N175 VanDerWaalsContact C-N 3.35Å; V173-N175 PolarHBondContact O-N 3.05Å; V173-A176 WeakPolarHBondContact O-CB 3.46Å; V173-A176 PolarHBondContact O-N 3.49Å; V173-A176 VanDerWaalsContact O-N 3.13Å; V173-F189 HydrophobicContact CG1-CE1 4.25Å; V173-F189 HydrophobicContact CG1-CZ 3.88Å; V173-F189 VanDerWaalsContact O-CE1 3.31Å; V173-F189 WeakPolarHBondContact O-CE1 3.49Å; V173-F189 WeakPolarHBondContact O-CZ 3.45Å; V173-I272 HydrophobicContact CG2-CD1 4.02Å; V173-I272 HydrophobicContact CG2-CG1 4.17Å; V173-L296 HydrophobicContact CG2-CD1 4.01Å; V173-L296 HydrophobicContact CG2-CD2 4.24Å; V173-F297 HydrophobicContact CG2-CZ 4.28Å
174	D	91.5	Very high	94.1	Very high	61 Å²	61	66.4 Å²	66.4	33%	0.326	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-40.3	179.5	-69.5	-26.8	0	0	0	111.9	V170 K171 A176 T177 S193	V170-D174 PolarHBondContact O-N 3.32Å; K171-D174 PolarHBondContact O-N 3.25Å; D174-A176 PolarHBondContact O-N 2.65Å; D174-A176 VanDerWaalsContact O-N 3.15Å; D174-T177 WeakPolarHBondContact O-CB 3.35Å; D174-T177 VanDerWaalsContact O-CG2 3.31Å; D174-T177 WeakPolarHBondContact O-CG2 3.36Å; D174-T177 PolarHBondContact O-N 2.99Å; D174-T177 VanDerWaalsContact O-N 3.07Å; D174-T177 PolarHBondContact O-OG1 3.25Å; D174-S193 PolarHBondContact OD1-OG 3.22Å
175	N	92.8	Very high	94	Very high	102 Å²	102	64.8 Å²	64.8	55%	0.545	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-22.7	176.7	-74.8	-18	0	0	0	113.3	K171 V173 T177 N178	K171-N175 WeakPolarHBondContact O-CB 3.38Å; K171-N175 PolarHBondContact O-N 2.8Å; K171-N175 PolarHBondContact O-ND2 3.16Å; K171-N175 PolarHBondContact O-OD1 3.12Å; V173-N175 VanDerWaalsContact C-N 3.35Å; V173-N175 PolarHBondContact O-N 3.05Å; N175-T177 PolarHBondContact O-N 3.08Å; N175-N178 WeakPolarHBondContact O-CB 3.47Å; N175-N178 PolarHBondContact O-N 2.79Å; N175-N178 PolarHBondContact O-ND2 2.85Å
176	A	92	Very high	93.9	Very high	13 Å²	13	66.9 Å²	66.9	11%	0.107	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-63	-26.1	176.3	0	0	0	0	0	112.2	E172 V173 D174 N178 S179 F189 I272 L276	E172-A176 PolarHBondContact O-N 3.44Å; V173-A176 WeakPolarHBondContact O-CB 3.46Å; V173-A176 PolarHBondContact O-N 3.49Å; V173-A176 VanDerWaalsContact O-N 3.13Å; D174-A176 PolarHBondContact O-N 2.65Å; D174-A176 VanDerWaalsContact O-N 3.15Å; A176-N178 PolarHBondContact O-N 2.82Å; A176-N178 VanDerWaalsContact O-N 3.1Å; A176-S179 PolarHBondContact O-N 3.29Å; A176-S179 PolarHBondContact O-OG 3.12Å; A176-F189 HydrophobicContact CB-CE1 4.26Å; A176-F189 HydrophobicContact CB-CZ 3.84Å; A176-I272 HydrophobicContact CB-CG2 3.51Å; A176-L276 HydrophobicContact CB-CD1 4.38Å
177	T	91.1	Very high	93.8	Very high	19 Å²	19	71.8 Å²	71.8	12%	0.117	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-56.7	-26.1	176.5	60.1	0	0	0	0	113.8	D174 N175 S179 I180 F189 L190	D174-T177 WeakPolarHBondContact O-CB 3.35Å; D174-T177 VanDerWaalsContact O-CG2 3.31Å; D174-T177 WeakPolarHBondContact O-CG2 3.36Å; D174-T177 PolarHBondContact O-N 2.99Å; D174-T177 VanDerWaalsContact O-N 3.07Å; D174-T177 PolarHBondContact O-OG1 3.25Å; N175-T177 PolarHBondContact O-N 3.08Å; T177-S179 PolarHBondContact O-N 2.77Å; T177-I180 PolarHBondContact O-N 3.33Å; T177-F189 HydrophobicContact CG2-CD1 3.56Å; T177-F189 HydrophobicContact CG2-CE1 3.75Å; T177-L190 HydrophobicContact CG2-CD2 3.71Å; T177-L190 HydrophobicContact CG2-CG 4.26Å
178	N	90.3	Very high	93.8	Very high	130 Å²	130	69.4 Å²	69.4	70%	0.695	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-68.2	-23.4	178.6	-64.2	-28.2	0	0	0	112.8	N175 A176	N175-N178 WeakPolarHBondContact O-CB 3.47Å; N175-N178 PolarHBondContact O-N 2.79Å; N175-N178 PolarHBondContact O-ND2 2.85Å; A176-N178 PolarHBondContact O-N 2.82Å; A176-N178 VanDerWaalsContact O-N 3.1Å
179	S	89.6	Confident	93.8	Very high	86 Å²	86	68.3 Å²	68.3	60%	0.601	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-87.4	-8.6	178.3	69	0	0	0	0	113.5	A176 T177 Q181	A176-S179 PolarHBondContact O-N 3.29Å; A176-S179 PolarHBondContact O-OG 3.12Å; T177-S179 PolarHBondContact O-N 2.77Å; S179-Q181 PolarHBondContact O-N 2.84Å
180	I	92.8	Very high	93.8	Very high	19 Å²	19	71.2 Å²	71.2	10%	0.097	37%	0.366	C	S	.	.			trans	-89.4	110.7	-173	-48.7	176.4	0	0	0	110.4	T177 V185 K186 F189 L276	T177-I180 PolarHBondContact O-N 3.33Å; I180-V185 HydrophobicContact CG2-CB 3.95Å; I180-V185 HydrophobicContact CG2-CG1 3.95Å; I180-K186 HydrophobicContact CB-CB 4.2Å; I180-K186 HydrophobicContact CB-CG 4.49Å; I180-K186 HydrophobicContact CG2-CB 3.84Å; I180-F189 HydrophobicContact CD1-CB 3.65Å; I180-F189 HydrophobicContact CD1-CD1 3.93Å; I180-F189 HydrophobicContact CD1-CD2 4.24Å; I180-F189 HydrophobicContact CD1-CG 3.67Å; I180-L276 HydrophobicContact CD1-CD2 3.4Å; I180-L276 HydrophobicContact CG1-CD2 3.7Å
181	Q	91.9	Very high	93.8	Very high	192 Å²	192	74.5 Å²	74.5	90%	0.897	38%	0.379	S	S	*	.			trans	-80.8	-39.8	179	-63.8	178.7	-6.1	0	0	113.1	S179 A183	S179-Q181 PolarHBondContact O-N 2.84Å; Q181-A183 PolarHBondContact O-N 3.2Å
182	K	94.6	Very high	93.9	Very high	128 Å²	128	67.8 Å²	67.8	56%	0.557	35%	0.35	S	S	*	.			trans	-77.2	116.8	-176.2	-65.4	179.7	-172.3	165.7	0	110.7	K184 V185 K186	K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.26Å; K182-V185 HydrophobicContact CB-CB 4.14Å; K182-V185 HydrophobicContact CB-CG2 3.85Å; K182-V185 HydrophobicContact CD-CG2 4.11Å; K182-V185 PolarHBondContact O-N 3.39Å; K182-K186 PolarHBondContact O-N 3.34Å
183	A	94.3	Very high	94	Very high	82 Å²	82	65.9 Å²	65.9	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-53.4	-43.7	-178.5	0	0	0	0	0	113.3	Q181 V185 K186 E187	Q181-A183 PolarHBondContact O-N 3.2Å; A183-V185 PolarHBondContact O-N 3.15Å; A183-K186 WeakPolarHBondContact O-CB 3.15Å; A183-K186 PolarHBondContact O-N 3.16Å; A183-E187 PolarHBondContact O-N 2.98Å
184	K	94.1	Very high	94.2	Very high	153 Å²	153	72.9 Å²	72.9	67%	0.665	37%	0.372	S	S	*	.	H	α-helix	trans	-61.6	-42.2	178.1	-173	178.8	180	-177.3	0	112.9	K182 K186 E187 E188	K182-K184 VanDerWaalsContact C-N 3.3Å; K182-K184 PolarHBondContact O-N 3.26Å; K184-K186 VanDerWaalsContact C-N 3.35Å; K184-E187 PolarHBondContact O-N 3.45Å; K184-E188 PolarHBondContact O-N 2.7Å; K184-E188 VanDerWaalsContact O-N 3.17Å
185	V	95	Very high	94.5	Very high	8 Å²	8	72.8 Å²	72.8	5%	0.048	38%	0.375	C	S	.	.	H	α-helix	trans	-69	-39	177.6	-179.3	0	0	0	0	110.2	I180 K182 A183 E187 E188 F189 L279	I180-V185 HydrophobicContact CG2-CB 3.95Å; I180-V185 HydrophobicContact CG2-CG1 3.95Å; K182-V185 HydrophobicContact CB-CB 4.14Å; K182-V185 HydrophobicContact CB-CG2 3.85Å; K182-V185 HydrophobicContact CD-CG2 4.11Å; K182-V185 PolarHBondContact O-N 3.39Å; A183-V185 PolarHBondContact O-N 3.15Å; V185-E187 VanDerWaalsContact C-N 3.32Å; V185-E187 PolarHBondContact O-N 3.44Å; V185-E188 PolarHBondContact O-N 3.23Å; V185-F189 WeakPolarHBondContact O-CB 3.48Å; V185-F189 PolarHBondContact O-N 3.24Å; V185-L279 HydrophobicContact CG1-CB 4.29Å
186	K	96.1	Very high	94.7	Very high	84 Å²	84	68 Å²	68	37%	0.365	35%	0.35	S	S	.	.	H	α-helix	trans	-60.8	-42.6	176.4	-171.5	175	-177.1	173.2	0	111.5	I180 K182 A183 K184 F189 L190	I180-K186 HydrophobicContact CB-CB 4.2Å; I180-K186 HydrophobicContact CB-CG 4.49Å; I180-K186 HydrophobicContact CG2-CB 3.84Å; K182-K186 PolarHBondContact O-N 3.34Å; A183-K186 WeakPolarHBondContact O-CB 3.15Å; A183-K186 PolarHBondContact O-N 3.16Å; K184-K186 VanDerWaalsContact C-N 3.35Å; K186-F189 PolarHBondContact O-N 3.47Å; K186-L190 HydrophobicContact CG-CD1 4.35Å; K186-L190 WeakPolarHBondContact O-CB 3.23Å; K186-L190 VanDerWaalsContact O-CG 3.29Å; K186-L190 WeakPolarHBondContact O-CG 3.32Å; K186-L190 PolarHBondContact O-N 2.64Å
187	E	95.9	Very high	95	Very high	103 Å²	103	68.6 Å²	68.6	48%	0.481	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-47.8	176.2	-166.6	-162.9	149.6	0	0	111.8	A183 K184 V185 L190 K191	A183-E187 PolarHBondContact O-N 2.98Å; K184-E187 PolarHBondContact O-N 3.45Å; V185-E187 VanDerWaalsContact C-N 3.32Å; V185-E187 PolarHBondContact O-N 3.44Å; E187-L190 PolarHBondContact O-N 2.73Å; E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 3.1Å; E187-K191 WeakPolarHBondContact OE1-CE 3.36Å; E187-K191 IonicContact OE1-NZ 2.71Å; E187-K191 PolarHBondContact OE1-NZ 3.29Å
188	E	97.1	Very high	95.3	Very high	25 Å²	25	71.5 Å²	71.5	12%	0.117	36%	0.364	C	S	.	.	H	α-helix	trans	-65.2	-39.6	177.5	-69	-60.3	131.3	0	0	112.1	K184 V185 L190 K191 A192 L279 T284	K184-E188 PolarHBondContact O-N 2.7Å; K184-E188 VanDerWaalsContact O-N 3.17Å; V185-E188 PolarHBondContact O-N 3.23Å; E188-L190 PolarHBondContact O-N 3.09Å; E188-K191 WeakPolarHBondContact O-CB 3.5Å; E188-K191 PolarHBondContact O-N 3.03Å; E188-K191 IonicContact OE1-NZ 2.8Å; E188-K191 PolarHBondContact OE1-NZ 2.89Å; E188-A192 PolarHBondContact O-N 2.73Å; E188-L279 HydrophobicContact CB-CD2 4.14Å; E188-T284 PolarHBondContact O-OG1 3.19Å; E188-T284 VanDerWaalsContact OE2-CB 3.31Å; E188-T284 WeakPolarHBondContact OE2-CB 3.4Å; E188-T284 PolarHBondContact OE2-N 3.2Å; E188-T284 PolarHBondContact OE2-OG1 3.21Å
189	F	96.5	Very high	95.6	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.9	-41	175	-172.9	-88.1	0	0	0	112.4	V173 A176 T177 I180 V185 K186 K191 A192 S193 L275 L276 L279	V173-F189 HydrophobicContact CG1-CE1 4.25Å; V173-F189 HydrophobicContact CG1-CZ 3.88Å; V173-F189 VanDerWaalsContact O-CE1 3.31Å; V173-F189 WeakPolarHBondContact O-CE1 3.49Å; V173-F189 WeakPolarHBondContact O-CZ 3.45Å; A176-F189 HydrophobicContact CB-CE1 4.26Å; A176-F189 HydrophobicContact CB-CZ 3.84Å; T177-F189 HydrophobicContact CG2-CD1 3.56Å; T177-F189 HydrophobicContact CG2-CE1 3.75Å; I180-F189 HydrophobicContact CD1-CB 3.65Å; I180-F189 HydrophobicContact CD1-CD1 3.93Å; I180-F189 HydrophobicContact CD1-CD2 4.24Å; I180-F189 HydrophobicContact CD1-CG 3.67Å; V185-F189 WeakPolarHBondContact O-CB 3.48Å; V185-F189 PolarHBondContact O-N 3.24Å; K186-F189 PolarHBondContact O-N 3.47Å; F189-K191 VanDerWaalsContact C-N 3.34Å; F189-K191 PolarHBondContact O-N 2.84Å; F189-A192 WeakPolarHBondContact O-CB 3.11Å; F189-A192 PolarHBondContact O-N 3.45Å; F189-S193 PolarHBondContact O-N 3.14Å; F189-L275 HydrophobicContact CD2-CD2 4.45Å; F189-L275 HydrophobicContact CD2-CG 4.44Å; F189-L275 HydrophobicContact CE2-CD2 3.98Å; F189-L275 HydrophobicContact CE2-CG 4.23Å; F189-L276 HydrophobicContact CD2-CD2 3.27Å; F189-L276 HydrophobicContact CD2-CG 4.01Å; F189-L276 HydrophobicContact CE2-CD2 3.46Å; F189-L276 VanDerWaalsContact CE2-CD2 3.46Å; F189-L276 HydrophobicContact CE2-CG 3.78Å; F189-L276 HydrophobicContact CG-CD2 3.95Å; F189-L276 HydrophobicContact CZ-CD2 4.28Å; F189-L279 HydrophobicContact CB-CD1 4.03Å; F189-L279 HydrophobicContact CD2-CD1 3.93Å; F189-L279 HydrophobicContact CG-CD1 4.43Å
190	L	96.2	Very high	96	Very high	86 Å²	86	63.7 Å²	63.7	45%	0.45	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-38.3	175.3	-74.1	170.6	0	0	0	112.1	T177 K186 E187 E188 K194	T177-L190 HydrophobicContact CG2-CD2 3.71Å; T177-L190 HydrophobicContact CG2-CG 4.26Å; K186-L190 HydrophobicContact CG-CD1 4.35Å; K186-L190 WeakPolarHBondContact O-CB 3.23Å; K186-L190 VanDerWaalsContact O-CG 3.29Å; K186-L190 WeakPolarHBondContact O-CG 3.32Å; K186-L190 PolarHBondContact O-N 2.64Å; E187-L190 PolarHBondContact O-N 2.73Å; E188-L190 PolarHBondContact O-N 3.09Å; L190-K194 WeakPolarHBondContact O-CB 3.16Å; L190-K194 PolarHBondContact O-N 3.16Å
191	K	96.5	Very high	96.2	Very high	84 Å²	84	67.4 Å²	67.4	37%	0.365	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-47.1	172.3	-69.8	171.2	-169.5	163.5	0	110.9	E187 E188 F189 K194 C195 T284	E187-K191 WeakPolarHBondContact O-CG 3.4Å; E187-K191 PolarHBondContact O-N 3.1Å; E187-K191 WeakPolarHBondContact OE1-CE 3.36Å; E187-K191 IonicContact OE1-NZ 2.71Å; E187-K191 PolarHBondContact OE1-NZ 3.29Å; E188-K191 WeakPolarHBondContact O-CB 3.5Å; E188-K191 PolarHBondContact O-N 3.03Å; E188-K191 IonicContact OE1-NZ 2.8Å; E188-K191 PolarHBondContact OE1-NZ 2.89Å; F189-K191 VanDerWaalsContact C-N 3.34Å; F189-K191 PolarHBondContact O-N 2.84Å; K191-K194 PolarHBondContact O-N 3.14Å; K191-C195 PolarHBondContact O-N 2.85Å; K191-C195 PolarHBondContact O-SG 3.35Å; K191-C195 VanDerWaalsContact O-SG 3.42Å; K191-T284 HydrophobicContact CB-CG2 4.26Å
192	A	96.7	Very high	96.5	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-49.3	177	0	0	0	0	0	112.1	E188 F189 K194 C195 L196 L279 T284 L289	E188-A192 PolarHBondContact O-N 2.73Å; F189-A192 WeakPolarHBondContact O-CB 3.11Å; F189-A192 PolarHBondContact O-N 3.45Å; A192-K194 VanDerWaalsContact C-N 3.35Å; A192-K194 PolarHBondContact O-N 3.24Å; A192-C195 WeakPolarHBondContact O-CB 3.14Å; A192-C195 PolarHBondContact O-N 3.23Å; A192-L196 WeakPolarHBondContact O-CG 3.49Å; A192-L196 PolarHBondContact O-N 3.46Å; A192-L279 HydrophobicContact CB-CD1 4.2Å; A192-T284 HydrophobicContact CB-CG2 3.93Å; A192-L289 HydrophobicContact CB-CD2 3.85Å
193	S	96.4	Very high	96.5	Very high	5 Å²	5	61.5 Å²	61.5	4%	0.035	31%	0.311	C	S	.	.	H	α-helix	trans	-57.8	-46.9	177.6	-175.1	0	0	0	0	111.1	D174 F189 C195 L196 V197	D174-S193 PolarHBondContact OD1-OG 3.22Å; F189-S193 PolarHBondContact O-N 3.14Å; S193-C195 VanDerWaalsContact C-N 3.34Å; S193-C195 PolarHBondContact O-N 3.33Å; S193-L196 WeakPolarHBondContact O-CB 3.35Å; S193-L196 PolarHBondContact O-N 2.97Å; S193-L196 VanDerWaalsContact O-N 3.13Å; S193-V197 WeakPolarHBondContact O-CG2 3.37Å; S193-V197 PolarHBondContact O-N 2.83Å
194	K	97.1	Very high	96.7	Very high	149 Å²	149	64.1 Å²	64.1	65%	0.648	31%	0.307	S	S	*	.	H	α-helix	trans	-58.2	-45	177.3	-172	177.3	-178.8	179.1	0	112	L190 K191 A192 L196 V197 E198	L190-K194 WeakPolarHBondContact O-CB 3.16Å; L190-K194 PolarHBondContact O-N 3.16Å; K191-K194 PolarHBondContact O-N 3.14Å; A192-K194 VanDerWaalsContact C-N 3.35Å; A192-K194 PolarHBondContact O-N 3.24Å; K194-L196 PolarHBondContact O-N 3.26Å; K194-V197 PolarHBondContact O-N 2.98Å; K194-E198 WeakPolarHBondContact O-CG 3.12Å; K194-E198 PolarHBondContact O-N 3.44Å
195	C	97.4	Very high	96.9	Very high	60 Å²	60	58.8 Å²	58.8	41%	0.405	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-44.1	175.7	-73.7	0	0	0	0	112.3	K191 A192 S193 V197 E198 M199 L289	K191-C195 PolarHBondContact O-N 2.85Å; K191-C195 PolarHBondContact O-SG 3.35Å; K191-C195 VanDerWaalsContact O-SG 3.42Å; A192-C195 WeakPolarHBondContact O-CB 3.14Å; A192-C195 PolarHBondContact O-N 3.23Å; S193-C195 VanDerWaalsContact C-N 3.34Å; S193-C195 PolarHBondContact O-N 3.33Å; C195-V197 VanDerWaalsContact C-N 3.33Å; C195-V197 PolarHBondContact O-N 3.31Å; C195-E198 PolarHBondContact O-N 3.08Å; C195-M199 WeakPolarHBondContact O-CG 3.22Å; C195-M199 PolarHBondContact O-N 3.42Å; C195-L289 HydrophobicContact CB-CD1 3.5Å
196	L	97.5	Very high	97	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-40.4	176.7	-69.8	171.5	0	0	0	112	A192 S193 K194 M199 L200 L275 L289 F292 Y293 L296 F297	A192-L196 WeakPolarHBondContact O-CG 3.49Å; A192-L196 PolarHBondContact O-N 3.46Å; S193-L196 WeakPolarHBondContact O-CB 3.35Å; S193-L196 PolarHBondContact O-N 2.97Å; S193-L196 VanDerWaalsContact O-N 3.13Å; K194-L196 PolarHBondContact O-N 3.26Å; L196-M199 HydrophobicContact CD2-SD 4.49Å; L196-M199 WeakPolarHBondContact O-CB 3.29Å; L196-M199 PolarHBondContact O-N 3.45Å; L196-L200 PolarHBondContact O-N 3.38Å; L196-L275 HydrophobicContact CD1-CD2 4.35Å; L196-L289 HydrophobicContact CD2-CB 4.39Å; L196-F292 HydrophobicContact CD2-CB 4.46Å; L196-Y293 HydrophobicContact CD2-CD2 4.41Å; L196-L296 HydrophobicContact CD1-CD1 4.09Å; L196-F297 HydrophobicContact CB-CE2 4.13Å; L196-F297 HydrophobicContact CD2-CE2 4.47Å
197	V	97.1	Very high	97.1	Very high	25 Å²	25	54.6 Å²	54.6	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-41	176.1	170.3	0	0	0	0	111.7	V170 S193 K194 C195 M199 L200 K201	V170-V197 HydrophobicContact CG1-CG2 3.58Å; S193-V197 WeakPolarHBondContact O-CG2 3.37Å; S193-V197 PolarHBondContact O-N 2.83Å; K194-V197 PolarHBondContact O-N 2.98Å; C195-V197 VanDerWaalsContact C-N 3.33Å; C195-V197 PolarHBondContact O-N 3.31Å; V197-M199 VanDerWaalsContact C-N 3.34Å; V197-L200 WeakPolarHBondContact O-CB 3.37Å; V197-L200 PolarHBondContact O-N 3.46Å; V197-K201 HydrophobicContact CG1-CD 4.38Å; V197-K201 WeakPolarHBondContact O-CG 3.48Å; V197-K201 PolarHBondContact O-N 3.02Å
198	E	97.9	Very high	97.2	Very high	79 Å²	79	53.1 Å²	53.1	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-38.1	175.3	-68.7	-52.4	127.7	0	0	112	K194 C195 K201 N202	K194-E198 WeakPolarHBondContact O-CG 3.12Å; K194-E198 PolarHBondContact O-N 3.44Å; C195-E198 PolarHBondContact O-N 3.08Å; E198-K201 PolarHBondContact O-N 2.92Å; E198-K201 IonicContact OE1-NZ 3.56Å; E198-K201 PolarHBondContact OE1-NZ 3.41Å; E198-N202 VanDerWaalsContact O-CG 3.27Å; E198-N202 PolarHBondContact O-N 2.9Å; E198-N202 VanDerWaalsContact O-N 3.08Å; E198-N202 PolarHBondContact O-ND2 3.34Å; E198-N202 VanDerWaalsContact O-ND2 3.15Å
199	M	97.9	Very high	97.3	Very high	53 Å²	53	52.6 Å²	52.6	26%	0.261	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-45.7	171.5	-66.4	172.9	70.5	0	0	111.4	C195 L196 V197 K201 N202 D203 Y293	C195-M199 WeakPolarHBondContact O-CG 3.22Å; C195-M199 PolarHBondContact O-N 3.42Å; L196-M199 HydrophobicContact CD2-SD 4.49Å; L196-M199 WeakPolarHBondContact O-CB 3.29Å; L196-M199 PolarHBondContact O-N 3.45Å; V197-M199 VanDerWaalsContact C-N 3.34Å; M199-K201 PolarHBondContact O-N 3.22Å; M199-N202 WeakPolarHBondContact O-CB 3.48Å; M199-N202 PolarHBondContact O-N 3.1Å; M199-D203 PolarHBondContact O-N 3.37Å; M199-D203 VanDerWaalsContact O-N 3.11Å; M199-Y293 HydrophobicContact CB-CD2 3.63Å; M199-Y293 HydrophobicContact CB-CE2 3.61Å; M199-Y293 HydrophobicContact CB-CG 4.36Å; M199-Y293 HydrophobicContact CE-CD1 3.78Å; M199-Y293 HydrophobicContact CE-CD2 3.93Å; M199-Y293 HydrophobicContact CE-CE1 4.48Å; M199-Y293 HydrophobicContact CE-CG 3.48Å; M199-Y293 VanDerWaalsContact CE-CG 3.48Å; M199-Y293 HydrophobicContact SD-CD2 4.23Å; M199-Y293 HydrophobicContact SD-CG 4.25Å
200	L	96.6	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.6	-41.5	176.4	-87.5	178.7	0	0	0	113.2	I166 V170 L196 V197 N202 D203 K204 Y205 Y293 F297	I166-L200 HydrophobicContact CG2-CD1 4.2Å; I166-L200 HydrophobicContact CG2-CD2 3.63Å; V170-L200 HydrophobicContact CG2-CD1 3.2Å; L196-L200 PolarHBondContact O-N 3.38Å; V197-L200 WeakPolarHBondContact O-CB 3.37Å; V197-L200 PolarHBondContact O-N 3.46Å; L200-N202 VanDerWaalsContact C-N 3.33Å; L200-D203 CarbonylContact O-C 3.57Å; L200-D203 PolarHBondContact O-N 3.34Å; L200-K204 PolarHBondContact O-N 2.88Å; L200-Y205 HydrophobicContact CB-CD1 4.16Å; L200-Y205 HydrophobicContact CB-CE1 4.3Å; L200-Y205 HydrophobicContact CD1-CD1 4.4Å; L200-Y205 PolarHBondContact O-N 3.05Å; L200-Y293 HydrophobicContact CB-CE2 4.39Å; L200-Y293 HydrophobicContact CD2-CE2 3.81Å; L200-Y293 HydrophobicContact CG-CE2 3.75Å; L200-F297 HydrophobicContact CD1-CD1 3.78Å; L200-F297 HydrophobicContact CD1-CD2 3.94Å; L200-F297 HydrophobicContact CD1-CE1 3.8Å; L200-F297 HydrophobicContact CD1-CE2 3.97Å; L200-F297 HydrophobicContact CD1-CG 3.85Å; L200-F297 HydrophobicContact CD1-CZ 3.89Å; L200-F297 HydrophobicContact CD2-CB 3.62Å; L200-F297 HydrophobicContact CD2-CD1 4.22Å; L200-F297 HydrophobicContact CD2-CD2 4.14Å; L200-F297 HydrophobicContact CD2-CG 3.73Å; L200-F297 HydrophobicContact CG-CB 4.37Å; L200-F297 HydrophobicContact CG-CD1 4.38Å; L200-F297 HydrophobicContact CG-CD2 3.94Å; L200-F297 HydrophobicContact CG-CE2 4.34Å; L200-F297 HydrophobicContact CG-CG 3.97Å
201	K	97.5	Very high	97.5	Very high	96 Å²	96	48.9 Å²	48.9	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-60.8	-44.1	176.7	-76.4	173.5	-176.4	171.5	0	111.1	V197 E198 M199 D203 K204 Y205	V197-K201 HydrophobicContact CG1-CD 4.38Å; V197-K201 WeakPolarHBondContact O-CG 3.48Å; V197-K201 PolarHBondContact O-N 3.02Å; E198-K201 PolarHBondContact O-N 2.92Å; E198-K201 IonicContact OE1-NZ 3.56Å; E198-K201 PolarHBondContact OE1-NZ 3.41Å; M199-K201 PolarHBondContact O-N 3.22Å; K201-D203 PolarHBondContact O-N 2.9Å; K201-K204 PolarHBondContact O-N 3.43Å; K201-Y205 HydrophobicContact CG-CE2 4.03Å; K201-Y205 VanDerWaalsContact CG-OH 3.27Å; K201-Y205 WeakPolarHBondContact CG-OH 3.45Å
202	N	97.4	Very high	97.6	Very high	127 Å²	127	45.8 Å²	45.8	68%	0.679	22%	0.22	S	C	*	.	H	α-helix	trans	-60.4	-35.3	176.1	-68.6	-30.1	0	0	0	111.9	E198 M199 L200 K204	E198-N202 VanDerWaalsContact O-CG 3.27Å; E198-N202 PolarHBondContact O-N 2.9Å; E198-N202 VanDerWaalsContact O-N 3.08Å; E198-N202 PolarHBondContact O-ND2 3.34Å; E198-N202 VanDerWaalsContact O-ND2 3.15Å; M199-N202 WeakPolarHBondContact O-CB 3.48Å; M199-N202 PolarHBondContact O-N 3.1Å; L200-N202 VanDerWaalsContact C-N 3.33Å; N202-K204 VanDerWaalsContact C-N 3.3Å; N202-K204 PolarHBondContact O-N 2.56Å
203	D	96.2	Very high	97.6	Very high	69 Å²	69	50.5 Å²	50.5	37%	0.369	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	11.9	176.5	-73	-11.3	0	0	0	113.8	M199 L200 K201 Y205 N206 Y293	M199-D203 PolarHBondContact O-N 3.37Å; M199-D203 VanDerWaalsContact O-N 3.11Å; L200-D203 CarbonylContact O-C 3.57Å; L200-D203 PolarHBondContact O-N 3.34Å; K201-D203 PolarHBondContact O-N 2.9Å; D203-Y205 PolarHBondContact O-N 2.82Å; D203-N206 PolarHBondContact O-N 2.8Å; D203-Y293 VanDerWaalsContact CB-OH 3.27Å; D203-Y293 WeakPolarHBondContact CB-OH 3.49Å; D203-Y293 VanDerWaalsContact CG-OH 3.28Å; D203-Y293 VanDerWaalsContact OD2-CZ 3.32Å; D203-Y293 PolarHBondContact OD2-OH 3.43Å
204	K	97.3	Very high	97.6	Very high	137 Å²	137	53.1 Å²	53.1	60%	0.596	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	51.1	43.1	179.4	-57.3	176.3	-177.5	176.9	0	112.4	L200 K201 N202 N206 G207	L200-K204 PolarHBondContact O-N 2.88Å; K201-K204 PolarHBondContact O-N 3.43Å; N202-K204 VanDerWaalsContact C-N 3.3Å; N202-K204 PolarHBondContact O-N 2.56Å; K204-N206 PolarHBondContact O-N 3.46Å; K204-G207 PolarHBondContact O-N 2.89Å
205	Y	97.9	Very high	97.6	Very high	42 Å²	42	54.1 Å²	54.1	17%	0.165	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	51.4	28.8	-178.9	-57.8	-93.1	0	0	0	113.7	I166 R167 L200 K201 D203 G207	I166-Y205 WeakPolarHBondContact CB-O 3.4Å; I166-Y205 WeakPolarHBondContact CG1-O 3.35Å; R167-Y205 HydrophobicContact CG-CD1 3.59Å; R167-Y205 HydrophobicContact CG-CE1 3.77Å; R167-Y205 HydrophobicContact CG-CG 4.23Å; L200-Y205 HydrophobicContact CB-CD1 4.16Å; L200-Y205 HydrophobicContact CB-CE1 4.3Å; L200-Y205 HydrophobicContact CD1-CD1 4.4Å; L200-Y205 PolarHBondContact O-N 3.05Å; K201-Y205 HydrophobicContact CG-CE2 4.03Å; K201-Y205 VanDerWaalsContact CG-OH 3.27Å; K201-Y205 WeakPolarHBondContact CG-OH 3.45Å; D203-Y205 PolarHBondContact O-N 2.82Å; Y205-G207 PolarHBondContact O-N 2.91Å; Y205-G207 VanDerWaalsContact O-N 3.08Å
206	N	98.1	Very high	97.4	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.016	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	51.9	27.8	-176.4	-66.2	-47.9	0	0	0	114.6	C162 I166 D203 K204 K208 Y209 F297	C162-N206 PolarHBondContact SG-O 2.9Å; I166-N206 HydrophobicContact CG1-CB 4.5Å; D203-N206 PolarHBondContact O-N 2.8Å; K204-N206 PolarHBondContact O-N 3.46Å; N206-K208 PolarHBondContact O-N 2.84Å; N206-Y209 HydrophobicContact CB-CD2 3.8Å; N206-Y209 HydrophobicContact CB-CE1 4.24Å; N206-Y209 HydrophobicContact CB-CE2 3.46Å; N206-Y209 VanDerWaalsContact CB-CE2 3.46Å; N206-Y209 HydrophobicContact CB-CG 4.33Å; N206-Y209 PolarHBondContact O-N 3.25Å; N206-F297 PolarHBondContact ND2-O 3.43Å
207	G	98	Very high	97.3	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-52.2	-30.3	179.3	0	0	0	0	0	113.8	E163 K204 Y205 Y209 F210	E163-G207 VanDerWaalsContact CG-CA 3.44Å; K204-G207 PolarHBondContact O-N 2.89Å; Y205-G207 PolarHBondContact O-N 2.91Å; Y205-G207 VanDerWaalsContact O-N 3.08Å; G207-Y209 PolarHBondContact O-N 3.39Å; G207-F210 PolarHBondContact O-N 3.23Å
208	K	97.9	Very high	97.1	Very high	72 Å²	72	63.3 Å²	63.3	31%	0.313	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-52.6	-23.9	176	63.1	-178.9	178.7	-167.9	0	115	N206 F210 D211 E214 R219	N206-K208 PolarHBondContact O-N 2.84Å; K208-F210 PolarHBondContact O-N 3.18Å; K208-D211 PolarHBondContact O-N 3.25Å; K208-E214 HydrophobicContact CB-CB 4.23Å; K208-E214 HydrophobicContact CB-CG 3.72Å; K208-R219 WeakPolarHBondContact O-CA 3.5Å
209	Y	98.6	Very high	97	Very high	15 Å²	15	61.1 Å²	61.1	6%	0.059	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-60	-32.7	-179.4	-66.9	-19.3	0	0	0	112.6	N206 G207 G218 L220 T298 R299	N206-Y209 HydrophobicContact CB-CD2 3.8Å; N206-Y209 HydrophobicContact CB-CE1 4.24Å; N206-Y209 HydrophobicContact CB-CE2 3.46Å; N206-Y209 VanDerWaalsContact CB-CE2 3.46Å; N206-Y209 HydrophobicContact CB-CG 4.33Å; N206-Y209 PolarHBondContact O-N 3.25Å; G207-Y209 PolarHBondContact O-N 3.39Å; Y209-G218 VanDerWaalsContact CD1-O 3.29Å; Y209-G218 WeakPolarHBondContact CD1-O 3.23Å; Y209-L220 HydrophobicContact CG-CD1 4.29Å; Y209-L220 HydrophobicContact CG-CG 4.47Å; Y209-L220 VanDerWaalsContact O-CB 3.28Å; Y209-L220 WeakPolarHBondContact O-CB 3.5Å; Y209-L220 PolarHBondContact O-N 3.45Å; Y209-T298 WeakPolarHBondContact OH-CA 3.31Å; Y209-R299 HydrophobicContact CD1-CG 4.31Å; Y209-R299 HydrophobicContact CD2-CG 4.4Å; Y209-R299 VanDerWaalsContact CE1-CD 3.44Å; Y209-R299 HydrophobicContact CE1-CG 3.84Å; Y209-R299 HydrophobicContact CE2-CG 3.9Å; Y209-R299 PolarHBondContact OH-N 3.46Å
210	F	98.7	Very high	97.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-106	5.3	-179.4	-66.3	-4.4	0	0	0	113.7	M158 C162 G207 K208 L220 F227 Y247 F256 L261 L304	M158-F210 HydrophobicContact CB-CB 4.33Å; M158-F210 WeakPolarHBondContact CB-O 3.37Å; M158-F210 HydrophobicContact CE-CB 4.33Å; M158-F210 HydrophobicContact CE-CD2 4.45Å; M158-F210 WeakPolarHBondContact O-CB 3.44Å; C162-F210 HydrophobicContact CB-CB 3.84Å; C162-F210 HydrophobicContact CB-CD1 4.29Å; C162-F210 HydrophobicContact CB-CD2 3.44Å; C162-F210 VanDerWaalsContact CB-CD2 3.44Å; C162-F210 HydrophobicContact CB-CE2 4.01Å; C162-F210 HydrophobicContact CB-CG 3.6Å; G207-F210 PolarHBondContact O-N 3.23Å; K208-F210 PolarHBondContact O-N 3.18Å; F210-L220 HydrophobicContact CD1-CD1 4.29Å; F210-L220 HydrophobicContact CE1-CD1 3.98Å; F210-F227 HydrophobicContact CB-CE1 4.38Å; F210-F227 HydrophobicContact CB-CZ 4.1Å; F210-F227 AromaticContact CD1-CE1 3.67Å; F210-F227 HydrophobicContact CD1-CE1 3.67Å; F210-F227 HydrophobicContact CD1-CZ 4.2Å; F210-F227 HydrophobicContact CE1-CE1 4.35Å; F210-F227 HydrophobicContact CG-CE1 4.25Å; F210-F227 HydrophobicContact CG-CZ 4.31Å; F210-Y247 PolarHBondContact O-OH 3.07Å; F210-F256 HydrophobicContact CD1-CE1 4.41Å; F210-F256 HydrophobicContact CD1-CZ 4.16Å; F210-F256 AromaticContact CD2-CE1 3.61Å; F210-F256 HydrophobicContact CD2-CE1 3.61Å; F210-F256 HydrophobicContact CD2-CZ 4.17Å; F210-F256 HydrophobicContact CE1-CE1 4.29Å; F210-F256 AromaticContact CE1-CZ 3.91Å; F210-F256 HydrophobicContact CE1-CZ 3.91Å; F210-F256 AromaticContact CE2-CE1 3.47Å; F210-F256 HydrophobicContact CE2-CE1 3.47Å; F210-F256 VanDerWaalsContact CE2-CE1 3.47Å; F210-F256 AromaticContact CE2-CZ 3.92Å; F210-F256 HydrophobicContact CE2-CZ 3.92Å; F210-F256 HydrophobicContact CG-CE1 4.1Å; F210-F256 HydrophobicContact CG-CZ 4.3Å; F210-F256 AromaticContact CZ-CE1 3.83Å; F210-F256 HydrophobicContact CZ-CE1 3.83Å; F210-F256 AromaticContact CZ-CZ 3.79Å; F210-F256 HydrophobicContact CZ-CZ 3.79Å; F210-L261 HydrophobicContact CE1-CD1 4.21Å; F210-L261 HydrophobicContact CE1-CD2 4.29Å; F210-L261 HydrophobicContact CE1-CG 4.34Å; F210-L261 HydrophobicContact CZ-CD1 3.93Å; F210-L261 HydrophobicContact CZ-CD2 4.5Å; F210-L261 HydrophobicContact CZ-CG 4.07Å; F210-L304 HydrophobicContact CE1-CD1 4.2Å; F210-L304 HydrophobicContact CE1-CD2 4.46Å; F210-L304 HydrophobicContact CZ-CD1 4.25Å
211	D	98.4	Very high	97.2	Very high	7 Å²	7	60.2 Å²	60.2	4%	0.037	30%	0.3	C	S	.	.			trans	-97.2	109.9	-177.6	-174	-17.3	0	0	0	110.1	S155 K159 K208 T213 E214	S155-D211 WeakPolarHBondContact CB-OD1 3.42Å; K159-D211 HydrophobicContact CB-CB 4.19Å; K208-D211 PolarHBondContact O-N 3.25Å; D211-T213 PolarHBondContact O-N 2.95Å; D211-T213 WeakPolarHBondContact OD1-CB 3.23Å; D211-T213 PolarHBondContact OD1-N 2.87Å; D211-T213 PolarHBondContact OD1-OG1 2.95Å; D211-T213 PolarHBondContact OD2-OG1 3.18Å; D211-E214 HydrophobicContact CB-CB 4.44Å; D211-E214 HydrophobicContact CB-CG 3.69Å; D211-E214 WeakPolarHBondContact O-CB 3.49Å; D211-E214 PolarHBondContact O-N 3.24Å
212	R	98.1	Very high	97.2	Very high	20 Å²	20	58.1 Å²	58.1	8%	0.075	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.9	179.4	70.6	-178.2	177.6	172.7	0.3	113.9	S132 E135 E214 R219 E224 Y247	S132-R212 PolarHBondContact O-NH1 2.88Å; S132-R212 PolarHBondContact O-NH2 2.87Å; E135-R212 IonicContact OE2-CZ 2.72Å; E135-R212 IonicContact OE2-NE 2.67Å; E135-R212 PolarHBondContact OE2-NE 3.4Å; E135-R212 VanDerWaalsContact OE2-NE 3.16Å; E135-R212 IonicContact OE2-NH2 3.74Å; E135-R212 PolarHBondContact OE2-NH2 3.2Å; R212-E214 VanDerWaalsContact C-N 3.33Å; R212-R219 PolarHBondContact O-NH1 2.96Å; R212-E224 PolarHBondContact NH1-O 2.85Å; R212-Y247 HydrophobicContact CB-CE2 4.18Å; R212-Y247 HydrophobicContact CG-CD1 4.41Å; R212-Y247 HydrophobicContact CG-CE1 3.8Å; R212-Y247 HydrophobicContact CG-CE2 4.24Å; R212-Y247 PolarHBondContact N-OH 3.44Å
213	T	97.4	Very high	97.2	Very high	99 Å²	99	59 Å²	59	61%	0.607	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13.3	178.3	72	0	0	0	0	113.1	D211	D211-T213 PolarHBondContact O-N 2.95Å; D211-T213 WeakPolarHBondContact OD1-CB 3.23Å; D211-T213 PolarHBondContact OD1-N 2.87Å; D211-T213 PolarHBondContact OD1-OG1 2.95Å; D211-T213 PolarHBondContact OD2-OG1 3.18Å
214	E	97.4	Very high	97.2	Very high	61 Å²	61	59.1 Å²	59.1	29%	0.285	29%	0.291	S	S	.	.	S	Bend	trans	-74.5	162.3	176.6	-67.7	-81.6	-179.4	0	0	111.8	K159 K208 D211 R212 R219	K159-E214 IonicContact NZ-OE1 3.94Å; K159-E214 PolarHBondContact NZ-OE1 3.14Å; K208-E214 HydrophobicContact CB-CB 4.23Å; K208-E214 HydrophobicContact CB-CG 3.72Å; D211-E214 HydrophobicContact CB-CB 4.44Å; D211-E214 HydrophobicContact CB-CG 3.69Å; D211-E214 WeakPolarHBondContact O-CB 3.49Å; D211-E214 PolarHBondContact O-N 3.24Å; R212-E214 VanDerWaalsContact C-N 3.33Å; E214-R219 WeakPolarHBondContact O-CD 3.27Å
215	K	96.1	Very high	97.2	Very high	170 Å²	170	52.6 Å²	52.6	74%	0.739	26%	0.263	S	S	*	.			trans	-58.5	146.4	176.9	-64.2	-176.9	179.6	-177.4	0	110.9	S217 G218 R219	K215-S217 VanDerWaalsContact C-N 3.28Å; K215-S217 PolarHBondContact O-N 3.27Å; K215-G218 WeakPolarHBondContact O-CA 3.29Å; K215-G218 PolarHBondContact O-N 3.1Å; K215-R219 PolarHBondContact O-N 2.67Å
216	E	94.3	Very high	97.2	Very high	159 Å²	159	55.1 Å²	55.1	74%	0.743	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-42	-177.2	-174.3	175.3	-161.3	0	0	113.5	G218 R219	E216-G218 PolarHBondContact O-N 2.67Å; E216-R219 PolarHBondContact O-N 2.86Å
217	S	93.8	Very high	97.2	Very high	111 Å²	111	55 Å²	55	78%	0.776	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22	176.6	58.7	0	0	0	0	113.9	K215	K215-S217 VanDerWaalsContact C-N 3.28Å; K215-S217 PolarHBondContact O-N 3.27Å
218	G	93.2	Very high	97.2	Very high	10 Å²	10	59 Å²	59	10%	0.103	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-27.6	-178.3	0	0	0	0	0	114.5	Y209 K215 E216	Y209-G218 VanDerWaalsContact CD1-O 3.29Å; Y209-G218 WeakPolarHBondContact CD1-O 3.23Å; K215-G218 WeakPolarHBondContact O-CA 3.29Å; K215-G218 PolarHBondContact O-N 3.1Å; E216-G218 PolarHBondContact O-N 2.67Å
219	R	97.2	Very high	97.3	Very high	32 Å²	32	55.7 Å²	55.7	12%	0.121	28%	0.282	C	S	.	.			trans	-101	164.5	-174.5	64.8	178.3	-169.3	-157.3	-2.6	113.2	K208 R212 E214 K215 E216 C221 T222 K223 R299	K208-R219 WeakPolarHBondContact O-CA 3.5Å; R212-R219 PolarHBondContact O-NH1 2.96Å; E214-R219 WeakPolarHBondContact O-CD 3.27Å; K215-R219 PolarHBondContact O-N 2.67Å; E216-R219 PolarHBondContact O-N 2.86Å; R219-C221 WeakPolarHBondContact CD-O 3.35Å; R219-C221 WeakPolarHBondContact CG-O 3.4Å; R219-C221 PolarHBondContact NE-O 2.78Å; R219-T222 VanDerWaalsContact CZ-C 3.41Å; R219-K223 VanDerWaalsContact CZ-N 3.32Å; R219-R299 PolarHBondContact O-NH1 3.27Å
220	L	98.3	Very high	97.2	Very high	24 Å²	24	57.7 Å²	57.7	13%	0.126	29%	0.292	C	S	.	.	S	Bend	trans	-101.8	-11.3	174.1	-71.4	171.3	0	0	0	113.2	Y209 F210 F227 L261 R299 L304	Y209-L220 HydrophobicContact CG-CD1 4.29Å; Y209-L220 HydrophobicContact CG-CG 4.47Å; Y209-L220 VanDerWaalsContact O-CB 3.28Å; Y209-L220 WeakPolarHBondContact O-CB 3.5Å; Y209-L220 PolarHBondContact O-N 3.45Å; F210-L220 HydrophobicContact CD1-CD1 4.29Å; F210-L220 HydrophobicContact CE1-CD1 3.98Å; L220-F227 HydrophobicContact CB-CD1 3.99Å; L220-F227 HydrophobicContact CB-CE1 4.01Å; L220-L261 HydrophobicContact CD1-CD2 3.87Å; L220-R299 HydrophobicContact CD2-CG 4.2Å; L220-R299 VanDerWaalsContact CD2-CZ 3.46Å; L220-R299 VanDerWaalsContact CD2-NE 3.32Å; L220-L304 HydrophobicContact CB-CD2 4.39Å; L220-L304 HydrophobicContact CD1-CB 4.14Å; L220-L304 HydrophobicContact CD1-CD2 4.25Å
221	C	98.4	Very high	97.1	Very high	10 Å²	10	57.7 Å²	57.7	7%	0.068	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-104.8	169	178.2	51.6	0	0	0	0	112.8	R219 W226 F227	R219-C221 WeakPolarHBondContact CD-O 3.35Å; R219-C221 WeakPolarHBondContact CG-O 3.4Å; R219-C221 PolarHBondContact NE-O 2.78Å; C221-W226 CarbonylContact C-O 3.58Å; C221-W226 WeakPolarHBondContact CA-O 3.3Å; C221-W226 WeakPolarHBondContact CB-O 3.46Å; C221-F227 HydrophobicContact CB-CD1 3.78Å; C221-F227 HydrophobicContact CB-CD2 3.8Å; C221-F227 HydrophobicContact CB-CE1 3.59Å; C221-F227 HydrophobicContact CB-CE2 3.6Å; C221-F227 HydrophobicContact CB-CG 3.9Å; C221-F227 HydrophobicContact CB-CZ 3.51Å
222	T	98.2	Very high	97	Very high	53 Å²	53	57.5 Å²	57.5	33%	0.325	29%	0.291	S	S	.	.			trans	-72.7	179.5	165.1	75.2	0	0	0	0	111.2	R219 E224 G225 W226	R219-T222 VanDerWaalsContact CZ-C 3.41Å; T222-E224 WeakPolarHBondContact CB-OE2 3.44Å; T222-E224 PolarHBondContact O-N 2.96Å; T222-E224 PolarHBondContact OG1-N 3.2Å; T222-E224 PolarHBondContact OG1-OE2 3.35Å; T222-G225 PolarHBondContact O-N 2.98Å; T222-G225 VanDerWaalsContact O-N 3.15Å; T222-G225 PolarHBondContact OG1-N 3.46Å; T222-W226 HydrophobicContact CG2-CB 3.99Å; T222-W226 PolarHBondContact N-O 3.35Å; T222-W226 PolarHBondContact OG1-N 3.2Å
223	K	97.1	Very high	96.7	Very high	146 Å²	146	57.3 Å²	57.3	64%	0.635	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.8	178.2	64.1	-179.4	-176.2	175.5	0	112.4	R219 G225	R219-K223 VanDerWaalsContact CZ-N 3.32Å; K223-G225 VanDerWaalsContact C-N 3.29Å
224	E	95.9	Very high	96.5	Very high	70 Å²	70	58.5 Å²	58.5	33%	0.327	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-15.6	174.6	-54.4	76.2	-163.7	0	0	111.5	R212 T222 N245	R212-E224 PolarHBondContact NH1-O 2.85Å; T222-E224 WeakPolarHBondContact CB-OE2 3.44Å; T222-E224 PolarHBondContact O-N 2.96Å; T222-E224 PolarHBondContact OG1-N 3.2Å; T222-E224 PolarHBondContact OG1-OE2 3.35Å; E224-N245 PolarHBondContact O-ND2 2.77Å
225	G	97.9	Very high	96.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.			trans	101.3	10.6	177.9	0	0	0	0	0	115.1	T222 K223 F227 N245	T222-G225 PolarHBondContact O-N 2.98Å; T222-G225 VanDerWaalsContact O-N 3.15Å; T222-G225 PolarHBondContact OG1-N 3.46Å; K223-G225 VanDerWaalsContact C-N 3.29Å; G225-F227 WeakPolarHBondContact O-CD2 3.18Å; G225-F227 WeakPolarHBondContact O-CE2 3.44Å; G225-F227 PolarHBondContact O-N 3.48Å; G225-N245 PolarHBondContact O-OD1 2.67Å
226	W	98.1	Very high	96	Very high	95 Å²	95	60.7 Å²	60.7	36%	0.36	30%	0.299	S	S	.	.			trans	-72.6	120.8	177.2	-74	98.4	0	0	0	112.1	C221 T222 N245	C221-W226 CarbonylContact C-O 3.58Å; C221-W226 WeakPolarHBondContact CA-O 3.3Å; C221-W226 WeakPolarHBondContact CB-O 3.46Å; T222-W226 HydrophobicContact CG2-CB 3.99Å; T222-W226 PolarHBondContact N-O 3.35Å; T222-W226 PolarHBondContact OG1-N 3.2Å; W226-N245 HydrophobicContact CD2-CB 3.83Å; W226-N245 HydrophobicContact CE3-CB 3.94Å; W226-N245 HydrophobicContact CG-CB 4.36Å; W226-N245 HydrophobicContact CH2-CB 4.25Å; W226-N245 HydrophobicContact CZ2-CB 4.15Å; W226-N245 HydrophobicContact CZ3-CB 4.15Å
227	F	98.6	Very high	96	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.1	169.6	-64.5	-94.8	0	0	0	109.9	M158 F210 L220 C221 G225 S243 I244 P246 Y247 F256 L304	M158-F227 HydrophobicContact CE-CE2 4.37Å; M158-F227 HydrophobicContact CE-CZ 4.43Å; F210-F227 HydrophobicContact CB-CE1 4.38Å; F210-F227 HydrophobicContact CB-CZ 4.1Å; F210-F227 AromaticContact CD1-CE1 3.67Å; F210-F227 HydrophobicContact CD1-CE1 3.67Å; F210-F227 HydrophobicContact CD1-CZ 4.2Å; F210-F227 HydrophobicContact CE1-CE1 4.35Å; F210-F227 HydrophobicContact CG-CE1 4.25Å; F210-F227 HydrophobicContact CG-CZ 4.31Å; L220-F227 HydrophobicContact CB-CD1 3.99Å; L220-F227 HydrophobicContact CB-CE1 4.01Å; C221-F227 HydrophobicContact CB-CD1 3.78Å; C221-F227 HydrophobicContact CB-CD2 3.8Å; C221-F227 HydrophobicContact CB-CE1 3.59Å; C221-F227 HydrophobicContact CB-CE2 3.6Å; C221-F227 HydrophobicContact CB-CG 3.9Å; C221-F227 HydrophobicContact CB-CZ 3.51Å; G225-F227 WeakPolarHBondContact O-CD2 3.18Å; G225-F227 WeakPolarHBondContact O-CE2 3.44Å; G225-F227 PolarHBondContact O-N 3.48Å; F227-S243 CarbonylContact O-C 3.34Å; F227-S243 WeakPolarHBondContact O-CA 3.49Å; F227-S243 WeakPolarHBondContact O-CB 3.28Å; F227-I244 HydrophobicContact CB-CG2 4.14Å; F227-I244 PolarHBondContact N-O 2.78Å; F227-I244 PolarHBondContact O-N 2.6Å; F227-P246 VanDerWaalsContact CD2-CD 3.4Å; F227-P246 HydrophobicContact CD2-CG 3.69Å; F227-P246 HydrophobicContact CE2-CG 3.41Å; F227-P246 VanDerWaalsContact CE2-CG 3.41Å; F227-P246 HydrophobicContact CZ-CG 4.48Å; F227-Y247 HydrophobicContact CE2-CD2 4.48Å; F227-Y247 HydrophobicContact CE2-CE2 4.02Å; F227-Y247 HydrophobicContact CZ-CE2 4.46Å; F227-F256 HydrophobicContact CB-CE2 4.21Å; F227-F256 HydrophobicContact CD1-CE2 4.22Å; F227-F256 HydrophobicContact CD1-CZ 4.05Å; F227-F256 HydrophobicContact CD2-CE2 4.02Å; F227-F256 HydrophobicContact CD2-CZ 4.19Å; F227-F256 HydrophobicContact CE1-CZ 4.04Å; F227-F256 HydrophobicContact CE2-CE2 4.46Å; F227-F256 HydrophobicContact CE2-CZ 4.21Å; F227-F256 AromaticContact CG-CE2 3.88Å; F227-F256 HydrophobicContact CG-CE2 3.88Å; F227-F256 HydrophobicContact CG-CZ 4.1Å; F227-F256 HydrophobicContact CZ-CZ 4.12Å; F227-L304 HydrophobicContact CB-CD2 3.91Å; F227-L304 HydrophobicContact CD1-CD2 3.42Å; F227-L304 VanDerWaalsContact CD1-CD2 3.42Å; F227-L304 HydrophobicContact CE1-CD2 4.33Å; F227-L304 HydrophobicContact CG-CD2 4.02Å
228	T	98.3	Very high	96.2	Very high	84 Å²	84	54 Å²	54	52%	0.515	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.6	176.2	-59.3	0	0	0	0	109.9	Q230	T228-Q230 PolarHBondContact O-N 2.87Å
229	C	98.6	Very high	96.3	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.027	29%	0.287	C	S	.	.			trans	-62.8	129.9	175.5	-179.6	0	0	0	0	110.1	G231 C238 H242 W259 H306	C229-G231 PolarHBondContact O-N 3.45Å; C229-G231 PolarHBondContact SG-N 3.44Å; C229-G231 VanDerWaalsContact SG-N 3.4Å; C229-C238 HydrophobicContact CB-CB 3.73Å; C229-C238 WeakPolarHBondContact O-CB 3.41Å; C229-C238 VanDerWaalsContact SG-SG 3.65Å; C229-H242 HydrophobicContact CB-CB 3.75Å; C229-H242 VanDerWaalsContact CB-O 3.32Å; C229-H242 WeakPolarHBondContact CB-O 3.48Å; C229-H242 PolarHBondContact N-O 3.18Å; C229-W259 HydrophobicContact CB-CH2 3.9Å; C229-W259 HydrophobicContact CB-CZ3 3.76Å; C229-H306 HydrophobicContact CB-CB 4.35Å; C229-H306 PolarHBondContact SG-N 3Å; C229-H306 VanDerWaalsContact SG-N 3.38Å
230	Q	97.9	Very high	96.2	Very high	56 Å²	56	64.4 Å²	64.4	26%	0.262	31%	0.31	S	S	.	.			trans	-84	1.4	-179.8	-58.3	-175.4	-85.3	0	0	112.4	T228 K303 L304	T228-Q230 PolarHBondContact O-N 2.87Å; Q230-K303 HydrophobicContact CB-CB 4.31Å; Q230-K303 WeakPolarHBondContact O-CE 3.43Å; Q230-K303 PolarHBondContact O-NZ 3.42Å; Q230-L304 PolarHBondContact N-O 3.4Å
231	G	96.4	Very high	96.1	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.339	C	S	.	.			trans	77.6	168.5	-175.5	0	0	0	0	0	112.8	C229 K303 V305	C229-G231 PolarHBondContact O-N 3.45Å; C229-G231 PolarHBondContact SG-N 3.44Å; C229-G231 VanDerWaalsContact SG-N 3.4Å; G231-K303 VanDerWaalsContact O-CE 3.24Å; G231-K303 WeakPolarHBondContact O-CE 3.22Å; G231-K303 PolarHBondContact O-NZ 3.41Å; G231-V305 WeakPolarHBondContact O-CG1 3.14Å
232	S	95.1	Very high	96.1	Very high	3 Å²	3	71.4 Å²	71.4	2%	0.021	35%	0.345	C	S	.	.	S	Bend	trans	-57.3	167	178.7	61.7	0	0	0	0	112.6	E234 Q235 K303 C309	S232-E234 PolarHBondContact O-N 3.28Å; S232-Q235 PolarHBondContact O-N 2.7Å; S232-Q235 VanDerWaalsContact OG-CD 3.27Å; S232-Q235 WeakPolarHBondContact OG-CG 3.14Å; S232-Q235 PolarHBondContact OG-OE1 3.08Å; S232-K303 PolarHBondContact O-NZ 3.5Å; S232-C309 WeakPolarHBondContact CA-O 3.3Å; S232-C309 WeakPolarHBondContact CB-O 3.19Å
233	F	92.7	Very high	96	Very high	16 Å²	16	71.9 Å²	71.9	7%	0.07	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.9	-172.7	75.2	-86.4	0	0	0	115	R264 K311 H315 L317	F233-R264 HydrophobicContact CB-CB 4.34Å; F233-R264 HydrophobicContact CB-CG 4.25Å; F233-R264 PolarHBondContact O-NE 3.02Å; F233-K311 HydrophobicContact CD1-CB 4.39Å; F233-K311 HydrophobicContact CD1-CD 4.38Å; F233-K311 HydrophobicContact CE1-CB 4.33Å; F233-K311 HydrophobicContact CE1-CD 4.01Å; F233-H315 HydrophobicContact CD1-CB 4.48Å; F233-H315 AromaticContact CD1-CD2 3.29Å; F233-H315 WeakPolarHBondContact CD1-CD2 3.46Å; F233-H315 AromaticContact CD1-CE1 3.77Å; F233-H315 AromaticContact CD1-CG 3.7Å; F233-H315 AromaticContact CD1-ND1 3.96Å; F233-H315 AromaticContact CD1-NE2 3.34Å; F233-H315 VanDerWaalsContact CD1-NE2 3.34Å; F233-H315 WeakPolarHBondContact CD1-NE2 3.44Å; F233-H315 HydrophobicContact CD2-CB 3.87Å; F233-H315 AromaticContact CD2-CG 3.82Å; F233-H315 HydrophobicContact CE1-CB 4.34Å; F233-H315 AromaticContact CE1-CD2 3.3Å; F233-H315 WeakPolarHBondContact CE1-CD2 3.29Å; F233-H315 AromaticContact CE1-CG 3.85Å; F233-H315 AromaticContact CE1-NE2 3.79Å; F233-H315 HydrophobicContact CE2-CB 3.69Å; F233-H315 AromaticContact CE2-CG 3.95Å; F233-H315 HydrophobicContact CG-CB 4.27Å; F233-H315 AromaticContact CG-CD2 3.8Å; F233-H315 AromaticContact CG-CE1 3.85Å; F233-H315 AromaticContact CG-CG 3.69Å; F233-H315 AromaticContact CG-ND1 3.72Å; F233-H315 AromaticContact CG-NE2 3.88Å; F233-H315 HydrophobicContact CZ-CB 3.95Å; F233-H315 AromaticContact CZ-CD2 3.8Å; F233-H315 AromaticContact CZ-CG 3.98Å; F233-L317 HydrophobicContact CD2-CD1 3.78Å; F233-L317 HydrophobicContact CD2-CG 4.39Å; F233-L317 HydrophobicContact CE2-CD1 4.25Å; F233-L317 HydrophobicContact CE2-CG 4.37Å
234	E	92.4	Very high	96.1	Very high	124 Å²	124	65.7 Å²	65.7	58%	0.579	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-24.7	-179.6	-56.1	172.6	108.8	0	0	113.3	S232 K311	S232-E234 PolarHBondContact O-N 3.28Å; E234-K311 IonicContact OE2-NZ 2.65Å; E234-K311 PolarHBondContact OE2-NZ 2.81Å
235	Q	92.7	Very high	96.2	Very high	78 Å²	78	62.7 Å²	62.7	36%	0.364	31%	0.31	S	S	.	.			trans	-88.6	149.4	-173.1	-69.8	173.7	-34.5	0	0	110.9	S232 K303	S232-Q235 PolarHBondContact O-N 2.7Å; S232-Q235 VanDerWaalsContact OG-CD 3.27Å; S232-Q235 WeakPolarHBondContact OG-CG 3.14Å; S232-Q235 PolarHBondContact OG-OE1 3.08Å; Q235-K303 PolarHBondContact O-NZ 3.08Å
236	K	91.8	Very high	96.2	Very high	199 Å²	199	62.7 Å²	62.7	87%	0.865	31%	0.31	S	S	*	.	S	Bend	trans	-77.6	-35.8	172.3	-66.5	-176.1	-179.3	178.4	0	112.3
237	L	93.5	Very high	96.2	Very high	122 Å²	122	58.1 Å²	58.1	64%	0.639	29%	0.293	S	S	*	.	S	Bend	trans	-141	154.9	-175.5	-63.8	172	0	0	0	110.6	Q239	L237-Q239 PolarHBondContact O-N 2.88Å
238	C	97	Very high	96.1	Very high	7 Å²	7	58.3 Å²	58.3	5%	0.047	30%	0.295	C	S	.	.			trans	-74.4	117	172.9	-174.8	0	0	0	0	110.8	C229 L240 L241 H242	C229-C238 HydrophobicContact CB-CB 3.73Å; C229-C238 WeakPolarHBondContact O-CB 3.41Å; C229-C238 VanDerWaalsContact SG-SG 3.65Å; C238-L240 PolarHBondContact O-N 2.65Å; C238-L241 PolarHBondContact O-N 2.69Å; C238-H242 PolarHBondContact SG-ND1 3.03Å; C238-H242 VanDerWaalsContact SG-ND1 3.42Å
239	Q	95.6	Very high	95.9	Very high	145 Å²	145	55.5 Å²	55.5	68%	0.678	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.4	179	-60.5	-56.3	-50.9	0	0	113.5	L237 L241	L237-Q239 PolarHBondContact O-N 2.88Å; Q239-L241 VanDerWaalsContact C-N 3.29Å
240	L	95.4	Very high	95.8	Very high	116 Å²	116	60.4 Å²	60.4	61%	0.607	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	0.9	178.1	-62.3	175.9	0	0	0	112.5	C238 H242	C238-L240 PolarHBondContact O-N 2.65Å; L240-H242 VanDerWaalsContact CB-CE1 3.46Å; L240-H242 WeakPolarHBondContact CB-CE1 3.36Å; L240-H242 WeakPolarHBondContact CD1-CE1 3.33Å; L240-H242 PolarHBondContact O-N 3.37Å
241	L	96.3	Very high	95.7	Very high	140 Å²	140	62.6 Å²	62.6	73%	0.733	31%	0.307	S	S	*	.			trans	51.2	32.3	177.6	-56.1	175.6	0	0	0	113.7	C238 Q239 S243	C238-L241 PolarHBondContact O-N 2.69Å; Q239-L241 VanDerWaalsContact C-N 3.29Å; L241-S243 PolarHBondContact O-N 3.04Å
242	H	98.1	Very high	95.7	Very high	42 Å²	42	63.7 Å²	63.7	19%	0.194	32%	0.315	C	S	.	.			trans	-57.7	128	179.5	-63.2	120.4	0	0	0	110.2	C229 C238 L240 W259 H306 C309	C229-H242 HydrophobicContact CB-CB 3.75Å; C229-H242 VanDerWaalsContact CB-O 3.32Å; C229-H242 WeakPolarHBondContact CB-O 3.48Å; C229-H242 PolarHBondContact N-O 3.18Å; C238-H242 PolarHBondContact SG-ND1 3.03Å; C238-H242 VanDerWaalsContact SG-ND1 3.42Å; L240-H242 VanDerWaalsContact CB-CE1 3.46Å; L240-H242 WeakPolarHBondContact CB-CE1 3.36Å; L240-H242 WeakPolarHBondContact CD1-CE1 3.33Å; L240-H242 PolarHBondContact O-N 3.37Å; H242-W259 HydrophobicContact CB-CH2 4.13Å; H242-W259 HydrophobicContact CB-CZ2 4.35Å; H242-H306 HydrophobicContact CB-CB 3.87Å; H242-H306 AromaticContact CD2-ND1 3.86Å; H242-H306 AromaticContact CE1-ND1 3.66Å; H242-H306 AromaticContact CG-CG 3.87Å; H242-H306 AromaticContact ND1-CG 3.97Å; H242-H306 AromaticContact ND1-ND1 3.89Å; H242-H306 AromaticContact NE2-ND1 3.63Å; H242-C309 PolarHBondContact ND1-SG 3.06Å; H242-C309 VanDerWaalsContact ND1-SG 3.41Å
243	S	97.6	Very high	95.8	Very high	63 Å²	63	64.1 Å²	64.1	44%	0.441	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	162.2	174.1	64.5	0	0	0	0	110.2	F227 L241	F227-S243 CarbonylContact O-C 3.34Å; F227-S243 WeakPolarHBondContact O-CA 3.49Å; F227-S243 WeakPolarHBondContact O-CB 3.28Å; L241-S243 PolarHBondContact O-N 3.04Å
244	I	97.9	Very high	96	Very high	15 Å²	15	67.4 Å²	67.4	8%	0.077	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	142.7	175.4	-172.3	167	0	0	0	110.2	F227 S252 V255 F256 W259	F227-I244 HydrophobicContact CB-CG2 4.14Å; F227-I244 PolarHBondContact N-O 2.78Å; F227-I244 PolarHBondContact O-N 2.6Å; I244-S252 WeakPolarHBondContact CD1-O 3.24Å; I244-V255 HydrophobicContact CD1-CB 4.04Å; I244-V255 HydrophobicContact CD1-CG1 3.81Å; I244-F256 HydrophobicContact CD1-CB 4.17Å; I244-F256 HydrophobicContact CG2-CD2 3.69Å; I244-F256 HydrophobicContact CG2-CE2 4.12Å; I244-W259 HydrophobicContact CB-CZ2 3.8Å; I244-W259 HydrophobicContact CG2-CD2 4.01Å; I244-W259 VanDerWaalsContact CG2-CE2 3.43Å; I244-W259 HydrophobicContact CG2-CE3 4.44Å; I244-W259 HydrophobicContact CG2-CH2 3.88Å; I244-W259 HydrophobicContact CG2-CZ2 3.39Å; I244-W259 HydrophobicContact CG2-CZ3 4.37Å
245	N	97.8	Very high	96.2	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.037	32%	0.322	C	S	.	.			trans	-111.8	94.5	166.9	-165.6	-13.5	0	0	0	110.3	S132 E224 G225 W226 Y247 G248 S252	S132-N245 VanDerWaalsContact CB-ND2 3.26Å; S132-N245 WeakPolarHBondContact CB-ND2 3.42Å; E224-N245 PolarHBondContact O-ND2 2.77Å; G225-N245 PolarHBondContact O-OD1 2.67Å; W226-N245 HydrophobicContact CD2-CB 3.83Å; W226-N245 HydrophobicContact CE3-CB 3.94Å; W226-N245 HydrophobicContact CG-CB 4.36Å; W226-N245 HydrophobicContact CH2-CB 4.25Å; W226-N245 HydrophobicContact CZ2-CB 4.15Å; W226-N245 HydrophobicContact CZ3-CB 4.15Å; N245-Y247 PolarHBondContact O-N 2.71Å; N245-Y247 VanDerWaalsContact O-N 3.16Å; N245-Y247 VanDerWaalsContact OD1-CB 3.29Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.31Å; N245-Y247 PolarHBondContact OD1-N 3.16Å; N245-Y247 VanDerWaalsContact OD1-N 3.1Å; N245-G248 PolarHBondContact O-N 2.69Å; N245-G248 VanDerWaalsContact O-N 3.14Å; N245-S252 VanDerWaalsContact O-CB 3.23Å; N245-S252 WeakPolarHBondContact O-CB 3.27Å
246	P	98.1	Very high	96.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.3	179.3	29.5	-34.2	0	0	0	113.2	W143 M158 F227 R253 F256	W143-P246 PolarHBondContact NE1-O 3.19Å; M158-P246 HydrophobicContact CE-CB 3.79Å; M158-P246 HydrophobicContact CE-CG 3.41Å; M158-P246 VanDerWaalsContact CE-CG 3.41Å; M158-P246 HydrophobicContact SD-CB 4.17Å; M158-P246 HydrophobicContact SD-CG 4.31Å; F227-P246 VanDerWaalsContact CD2-CD 3.4Å; F227-P246 HydrophobicContact CD2-CG 3.69Å; F227-P246 HydrophobicContact CE2-CG 3.41Å; F227-P246 VanDerWaalsContact CE2-CG 3.41Å; F227-P246 HydrophobicContact CZ-CG 4.48Å; P246-R253 WeakPolarHBondContact O-CB 3.43Å; P246-F256 HydrophobicContact CB-CB 3.8Å; P246-F256 HydrophobicContact CB-CD1 4.19Å; P246-F256 HydrophobicContact CB-CD2 4.45Å; P246-F256 HydrophobicContact CB-CG 3.91Å; P246-F256 HydrophobicContact CG-CB 4.47Å; P246-F256 HydrophobicContact CG-CD1 4.21Å; P246-F256 HydrophobicContact CG-CD2 4.25Å; P246-F256 HydrophobicContact CG-CE1 4.49Å; P246-F256 HydrophobicContact CG-CG 4.06Å
247	Y	98.3	Very high	96.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-19	174.1	-65.3	-97.5	0	0	0	112.7	W143 K154 S155 M158 F210 R212 F227 N245	W143-Y247 PolarHBondContact NE1-O 3.36Å; K154-Y247 HydrophobicContact CB-CD1 3.55Å; K154-Y247 HydrophobicContact CB-CE1 3.9Å; K154-Y247 HydrophobicContact CD-CD1 4.24Å; K154-Y247 WeakPolarHBondContact CD-O 3.5Å; K154-Y247 WeakPolarHBondContact CE-O 3.21Å; K154-Y247 PolarHBondContact NZ-O 2.94Å; S155-Y247 WeakPolarHBondContact OG-CE1 3.36Å; M158-Y247 HydrophobicContact CB-CE1 4.35Å; M158-Y247 HydrophobicContact CG-CE1 3.9Å; M158-Y247 HydrophobicContact CG-CE2 4.07Å; F210-Y247 PolarHBondContact O-OH 3.07Å; R212-Y247 HydrophobicContact CB-CE2 4.18Å; R212-Y247 HydrophobicContact CG-CD1 4.41Å; R212-Y247 HydrophobicContact CG-CE1 3.8Å; R212-Y247 HydrophobicContact CG-CE2 4.24Å; R212-Y247 PolarHBondContact N-OH 3.44Å; F227-Y247 HydrophobicContact CE2-CD2 4.48Å; F227-Y247 HydrophobicContact CE2-CE2 4.02Å; F227-Y247 HydrophobicContact CZ-CE2 4.46Å; N245-Y247 PolarHBondContact O-N 2.71Å; N245-Y247 VanDerWaalsContact O-N 3.16Å; N245-Y247 VanDerWaalsContact OD1-CB 3.29Å; N245-Y247 WeakPolarHBondContact OD1-CB 3.31Å; N245-Y247 PolarHBondContact OD1-N 3.16Å; N245-Y247 VanDerWaalsContact OD1-N 3.1Å
248	G	95.9	Very high	97	Very high	4 Å²	4	51.2 Å²	51.2	4%	0.041	27%	0.273	C	S	.	.	S	Bend	trans	-75.9	-32	-171.4	0	0	0	0	0	115.4	D130 R131 N245	D130-G248 WeakPolarHBondContact OD1-CA 3.46Å; R131-G248 PolarHBondContact N-O 3.39Å; N245-G248 PolarHBondContact O-N 2.69Å; N245-G248 VanDerWaalsContact O-N 3.14Å
249	S	95.7	Very high	97	Very high	25 Å²	25	51.1 Å²	51.1	18%	0.175	27%	0.272	C	S	.	.			trans	-159.3	161.5	-178.2	69.9	0	0	0	0	112.9	E251 S252 R253	S249-E251 VanDerWaalsContact C-N 3.27Å; S249-E251 PolarHBondContact O-N 2.92Å; S249-S252 PolarHBondContact O-N 3.23Å; S249-S252 WeakPolarHBondContact OG-CB 3.46Å; S249-S252 PolarHBondContact OG-N 3.05Å; S249-S252 VanDerWaalsContact OG-N 3.1Å; S249-S252 PolarHBondContact OG-OG 2.87Å; S249-S252 VanDerWaalsContact OG-OG 3.09Å; S249-R253 PolarHBondContact O-N 2.71Å
250	R	96.1	Very high	97.1	Very high	107 Å²	107	46.6 Å²	46.6	40%	0.404	25%	0.252	S	S	.	.	H	α-helix	trans	-54.4	-44.1	172.4	-179.1	-174.5	173.6	-129	-3.9	111.7	R253 I254	R250-R253 PolarHBondContact O-N 2.9Å; R250-I254 HydrophobicContact CG-CD1 4.06Å; R250-I254 VanDerWaalsContact O-CG1 3.3Å; R250-I254 WeakPolarHBondContact O-CG1 3.38Å; R250-I254 PolarHBondContact O-N 3.33Å; R250-I254 VanDerWaalsContact O-N 3.08Å
251	E	94.8	Very high	97.2	Very high	102 Å²	102	41.2 Å²	41.2	48%	0.477	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-49	-179.6	-176	174.4	175.4	0	0	111.3	Q126 S249 R253 I254 V255	Q126-E251 VanDerWaalsContact NE2-CD 3.26Å; Q126-E251 PolarHBondContact NE2-OE2 3.23Å; S249-E251 VanDerWaalsContact C-N 3.27Å; S249-E251 PolarHBondContact O-N 2.92Å; E251-R253 VanDerWaalsContact C-N 3.26Å; E251-R253 PolarHBondContact O-N 3.32Å; E251-I254 CarbonylContact O-C 3.55Å; E251-I254 WeakPolarHBondContact O-CA 3.45Å; E251-I254 WeakPolarHBondContact O-CB 3.39Å; E251-I254 PolarHBondContact O-N 3.17Å; E251-V255 HydrophobicContact CG-CG2 4.26Å; E251-V255 WeakPolarHBondContact O-CG2 3.05Å; E251-V255 PolarHBondContact O-N 2.86Å
252	S	96.3	Very high	97.3	Very high	23 Å²	23	35.2 Å²	35.2	16%	0.161	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-39.5	177.5	-65.6	0	0	0	0	111.8	I244 N245 S249 I254 V255 F256	I244-S252 WeakPolarHBondContact CD1-O 3.24Å; N245-S252 VanDerWaalsContact O-CB 3.23Å; N245-S252 WeakPolarHBondContact O-CB 3.27Å; S249-S252 PolarHBondContact O-N 3.23Å; S249-S252 WeakPolarHBondContact OG-CB 3.46Å; S249-S252 PolarHBondContact OG-N 3.05Å; S249-S252 VanDerWaalsContact OG-N 3.1Å; S249-S252 PolarHBondContact OG-OG 2.87Å; S249-S252 VanDerWaalsContact OG-OG 3.09Å; S252-I254 PolarHBondContact O-N 2.82Å; S252-V255 PolarHBondContact O-N 3.42Å; S252-F256 WeakPolarHBondContact O-CB 3.4Å; S252-F256 PolarHBondContact O-N 2.66Å
253	R	97.3	Very high	97.2	Very high	12 Å²	12	33.5 Å²	33.5	5%	0.045	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-42.6	173.4	-172.9	-166.2	67.8	-169.4	-8.2	112.3	W143 T145 V147 Y157 P246 S249 R250 E251 F256	W143-R253 HydrophobicContact CH2-CG 4.32Å; W143-R253 HydrophobicContact CZ2-CB 4.23Å; W143-R253 VanDerWaalsContact CZ2-CD 3.42Å; W143-R253 HydrophobicContact CZ2-CG 3.8Å; W143-R253 PolarHBondContact O-NH1 3.44Å; W143-R253 PolarHBondContact O-NH2 2.74Å; T145-R253 PolarHBondContact O-NH2 2.81Å; V147-R253 VanDerWaalsContact CG2-CZ 3.45Å; Y157-R253 HydrophobicContact CD1-CG 4.49Å; Y157-R253 HydrophobicContact CE1-CG 3.82Å; P246-R253 WeakPolarHBondContact O-CB 3.43Å; S249-R253 PolarHBondContact O-N 2.71Å; R250-R253 PolarHBondContact O-N 2.9Å; E251-R253 VanDerWaalsContact C-N 3.26Å; E251-R253 PolarHBondContact O-N 3.32Å; R253-F256 PolarHBondContact O-N 3.34Å
254	I	97.1	Very high	97.2	Very high	85 Å²	85	35.5 Å²	35.5	44%	0.436	18%	0.183	S	C	.	.	H	α-helix	trans	-67.7	-47.3	177.9	-68	165	0	0	0	110.2	R250 E251 S252 F256 S257	R250-I254 HydrophobicContact CG-CD1 4.06Å; R250-I254 VanDerWaalsContact O-CG1 3.3Å; R250-I254 WeakPolarHBondContact O-CG1 3.38Å; R250-I254 PolarHBondContact O-N 3.33Å; R250-I254 VanDerWaalsContact O-N 3.08Å; E251-I254 CarbonylContact O-C 3.55Å; E251-I254 WeakPolarHBondContact O-CA 3.45Å; E251-I254 WeakPolarHBondContact O-CB 3.39Å; E251-I254 PolarHBondContact O-N 3.17Å; S252-I254 PolarHBondContact O-N 2.82Å; I254-F256 PolarHBondContact O-N 2.89Å; I254-S257 WeakPolarHBondContact O-CB 3.3Å; I254-S257 PolarHBondContact O-N 3.2Å; I254-S257 PolarHBondContact O-OG 3.13Å
255	V	97.4	Very high	97.2	Very high	55 Å²	55	35.8 Å²	35.8	33%	0.333	18%	0.184	S	C	.	.	H	α-helix	trans	-58.4	-35.2	178	173	0	0	0	0	111	I244 E251 S252 S257 T258	I244-V255 HydrophobicContact CD1-CB 4.04Å; I244-V255 HydrophobicContact CD1-CG1 3.81Å; E251-V255 HydrophobicContact CG-CG2 4.26Å; E251-V255 WeakPolarHBondContact O-CG2 3.05Å; E251-V255 PolarHBondContact O-N 2.86Å; S252-V255 PolarHBondContact O-N 3.42Å; V255-S257 PolarHBondContact O-N 3.46Å; V255-S257 VanDerWaalsContact O-N 3.11Å; V255-T258 WeakPolarHBondContact O-CB 3.26Å; V255-T258 WeakPolarHBondContact O-CG2 3.27Å; V255-T258 PolarHBondContact O-N 2.99Å; V255-T258 PolarHBondContact O-OG1 2.93Å
256	F	98.5	Very high	97.1	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-61.7	-18.5	175.8	-168.7	-112.4	0	0	0	114.4	M158 R165 F210 F227 I244 P246 S252 R253 I254 T258 W259 L304	M158-F256 HydrophobicContact CE-CD1 3.58Å; M158-F256 HydrophobicContact CE-CE1 3.47Å; M158-F256 VanDerWaalsContact CE-CE1 3.47Å; M158-F256 HydrophobicContact CE-CZ 4.36Å; R165-F256 PolarHBondContact NH2-O 2.92Å; F210-F256 HydrophobicContact CD1-CE1 4.41Å; F210-F256 HydrophobicContact CD1-CZ 4.16Å; F210-F256 AromaticContact CD2-CE1 3.61Å; F210-F256 HydrophobicContact CD2-CE1 3.61Å; F210-F256 HydrophobicContact CD2-CZ 4.17Å; F210-F256 HydrophobicContact CE1-CE1 4.29Å; F210-F256 AromaticContact CE1-CZ 3.91Å; F210-F256 HydrophobicContact CE1-CZ 3.91Å; F210-F256 AromaticContact CE2-CE1 3.47Å; F210-F256 HydrophobicContact CE2-CE1 3.47Å; F210-F256 VanDerWaalsContact CE2-CE1 3.47Å; F210-F256 AromaticContact CE2-CZ 3.92Å; F210-F256 HydrophobicContact CE2-CZ 3.92Å; F210-F256 HydrophobicContact CG-CE1 4.1Å; F210-F256 HydrophobicContact CG-CZ 4.3Å; F210-F256 AromaticContact CZ-CE1 3.83Å; F210-F256 HydrophobicContact CZ-CE1 3.83Å; F210-F256 AromaticContact CZ-CZ 3.79Å; F210-F256 HydrophobicContact CZ-CZ 3.79Å; F227-F256 HydrophobicContact CB-CE2 4.21Å; F227-F256 HydrophobicContact CD1-CE2 4.22Å; F227-F256 HydrophobicContact CD1-CZ 4.05Å; F227-F256 HydrophobicContact CD2-CE2 4.02Å; F227-F256 HydrophobicContact CD2-CZ 4.19Å; F227-F256 HydrophobicContact CE1-CZ 4.04Å; F227-F256 HydrophobicContact CE2-CE2 4.46Å; F227-F256 HydrophobicContact CE2-CZ 4.21Å; F227-F256 AromaticContact CG-CE2 3.88Å; F227-F256 HydrophobicContact CG-CE2 3.88Å; F227-F256 HydrophobicContact CG-CZ 4.1Å; F227-F256 HydrophobicContact CZ-CZ 4.12Å; I244-F256 HydrophobicContact CD1-CB 4.17Å; I244-F256 HydrophobicContact CG2-CD2 3.69Å; I244-F256 HydrophobicContact CG2-CE2 4.12Å; P246-F256 HydrophobicContact CB-CB 3.8Å; P246-F256 HydrophobicContact CB-CD1 4.19Å; P246-F256 HydrophobicContact CB-CD2 4.45Å; P246-F256 HydrophobicContact CB-CG 3.91Å; P246-F256 HydrophobicContact CG-CB 4.47Å; P246-F256 HydrophobicContact CG-CD1 4.21Å; P246-F256 HydrophobicContact CG-CD2 4.25Å; P246-F256 HydrophobicContact CG-CE1 4.49Å; P246-F256 HydrophobicContact CG-CG 4.06Å; S252-F256 WeakPolarHBondContact O-CB 3.4Å; S252-F256 PolarHBondContact O-N 2.66Å; R253-F256 PolarHBondContact O-N 3.34Å; I254-F256 PolarHBondContact O-N 2.89Å; F256-T258 PolarHBondContact O-N 3.32Å; F256-W259 HydrophobicContact CD2-CB 4.05Å; F256-W259 HydrophobicContact CD2-CD2 4.3Å; F256-W259 AromaticContact CD2-CG 3.91Å; F256-W259 HydrophobicContact CD2-CG 3.91Å; F256-W259 HydrophobicContact CE2-CB 4.21Å; F256-W259 HydrophobicContact CE2-CD2 4.43Å; F256-W259 HydrophobicContact CE2-CG 4.28Å; F256-W259 WeakPolarHBondContact O-CB 3.06Å; F256-W259 PolarHBondContact O-N 3.42Å; F256-L304 HydrophobicContact CE2-CD1 4.35Å; F256-L304 HydrophobicContact CE2-CD2 4.29Å; F256-L304 HydrophobicContact CZ-CD1 4.34Å; F256-L304 HydrophobicContact CZ-CD2 4.39Å
257	S	97.1	Very high	97	Very high	77 Å²	77	38.6 Å²	38.6	54%	0.538	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-64.9	-23.5	170.1	72.2	0	0	0	0	113.2	I254 V255	I254-S257 WeakPolarHBondContact O-CB 3.3Å; I254-S257 PolarHBondContact O-N 3.2Å; I254-S257 PolarHBondContact O-OG 3.13Å; V255-S257 PolarHBondContact O-N 3.46Å; V255-S257 VanDerWaalsContact O-N 3.11Å
258	T	97.9	Very high	96.8	Very high	50 Å²	50	45.1 Å²	45.1	31%	0.307	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-80.5	-19	176.6	72.8	0	0	0	0	112.8	V255 F256 N260 I307	V255-T258 WeakPolarHBondContact O-CB 3.26Å; V255-T258 WeakPolarHBondContact O-CG2 3.27Å; V255-T258 PolarHBondContact O-N 2.99Å; V255-T258 PolarHBondContact O-OG1 2.93Å; F256-T258 PolarHBondContact O-N 3.32Å; T258-N260 PolarHBondContact O-ND2 3.24Å; T258-I307 WeakPolarHBondContact O-CB 3.23Å
259	W	98.5	Very high	96.7	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.015	25%	0.248	C	C	.	.			trans	-72.1	143.1	174	-72.4	59.8	0	0	0	110	R165 C229 H242 I244 F256 L304 V305 H306	R165-W259 PolarHBondContact NH1-O 3.37Å; C229-W259 HydrophobicContact CB-CH2 3.9Å; C229-W259 HydrophobicContact CB-CZ3 3.76Å; H242-W259 HydrophobicContact CB-CH2 4.13Å; H242-W259 HydrophobicContact CB-CZ2 4.35Å; I244-W259 HydrophobicContact CB-CZ2 3.8Å; I244-W259 HydrophobicContact CG2-CD2 4.01Å; I244-W259 VanDerWaalsContact CG2-CE2 3.43Å; I244-W259 HydrophobicContact CG2-CE3 4.44Å; I244-W259 HydrophobicContact CG2-CH2 3.88Å; I244-W259 HydrophobicContact CG2-CZ2 3.39Å; I244-W259 HydrophobicContact CG2-CZ3 4.37Å; F256-W259 HydrophobicContact CD2-CB 4.05Å; F256-W259 HydrophobicContact CD2-CD2 4.3Å; F256-W259 AromaticContact CD2-CG 3.91Å; F256-W259 HydrophobicContact CD2-CG 3.91Å; F256-W259 HydrophobicContact CE2-CB 4.21Å; F256-W259 HydrophobicContact CE2-CD2 4.43Å; F256-W259 HydrophobicContact CE2-CG 4.28Å; F256-W259 WeakPolarHBondContact O-CB 3.06Å; F256-W259 PolarHBondContact O-N 3.42Å; W259-L304 HydrophobicContact CB-CD1 4.24Å; W259-L304 HydrophobicContact CE3-CD1 4.21Å; W259-L304 HydrophobicContact CE3-CD2 4.44Å; W259-L304 HydrophobicContact CE3-CG 3.97Å; W259-L304 HydrophobicContact CZ3-CG 4.44Å; W259-V305 CarbonylContact C-O 3.57Å; W259-V305 WeakPolarHBondContact CA-O 3.38Å; W259-H306 HydrophobicContact CD2-CB 4.35Å; W259-H306 AromaticContact CE2-CD2 3.62Å; W259-H306 HydrophobicContact CE3-CB 4.47Å; W259-H306 HydrophobicContact CH2-CB 4.22Å; W259-H306 HydrophobicContact CZ2-CB 4.05Å; W259-H306 AromaticContact CZ2-CD2 3.77Å; W259-H306 HydrophobicContact CZ3-CB 4.43Å; W259-H306 AromaticContact NE1-CD2 3.5Å
260	N	97.6	Very high	96.7	Very high	50 Å²	50	51.5 Å²	51.5	27%	0.267	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.8	-173.8	-67.8	-83.2	0	0	0	111.3	T258 D262 K303 L304 V305 H310	T258-N260 PolarHBondContact O-ND2 3.24Å; N260-D262 PolarHBondContact O-N 3.03Å; N260-K303 VanDerWaalsContact O-O 3.13Å; N260-L304 CarbonylContact O-C 3.54Å; N260-L304 VanDerWaalsContact O-CA 3.3Å; N260-L304 WeakPolarHBondContact O-CA 3.44Å; N260-V305 HydrophobicContact CB-CG2 4.04Å; N260-V305 PolarHBondContact N-O 3.22Å; N260-V305 PolarHBondContact O-N 2.85Å; N260-H310 PolarHBondContact ND2-ND1 3.43Å; N260-H310 VanDerWaalsContact ND2-ND1 3.2Å
261	L	97.7	Very high	96.7	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	82.1	161.3	-77.5	173.8	0	0	0	106.7	I166 Y169 F210 L220 L302 K303 L304	I166-L261 HydrophobicContact CD1-CD1 4.28Å; Y169-L261 WeakPolarHBondContact OH-CB 3.47Å; Y169-L261 PolarHBondContact OH-O 3.2Å; F210-L261 HydrophobicContact CE1-CD1 4.21Å; F210-L261 HydrophobicContact CE1-CD2 4.29Å; F210-L261 HydrophobicContact CE1-CG 4.34Å; F210-L261 HydrophobicContact CZ-CD1 3.93Å; F210-L261 HydrophobicContact CZ-CD2 4.5Å; F210-L261 HydrophobicContact CZ-CG 4.07Å; L220-L261 HydrophobicContact CD1-CD2 3.87Å; L261-L302 HydrophobicContact CB-CD2 4.3Å; L261-L302 WeakPolarHBondContact O-CD2 3.41Å; L261-K303 CarbonylContact C-O 3.49Å; L261-K303 WeakPolarHBondContact CA-O 3.12Å; L261-L304 HydrophobicContact CD2-CB 4.04Å; L261-L304 HydrophobicContact CD2-CD1 4.18Å; L261-L304 HydrophobicContact CG-CD1 4.49Å
262	D	96.9	Very high	96.8	Very high	14 Å²	14	42.2 Å²	42.2	8%	0.075	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	137.4	-174.2	-177.1	31.5	0	0	0	111.9	N260 L302 K303 V305 H310 H315	N260-D262 PolarHBondContact O-N 3.03Å; D262-L302 CarbonylContact O-C 3.52Å; D262-L302 WeakPolarHBondContact O-CA 3.36Å; D262-K303 PolarHBondContact N-O 3.25Å; D262-K303 PolarHBondContact O-N 2.96Å; D262-V305 HydrophobicContact CB-CG2 3.68Å; D262-H310 IonicContact OD1-CD2 3.7Å; D262-H310 IonicContact OD1-NE2 2.66Å; D262-H310 IonicContact OD2-CD2 3.54Å; D262-H315 IonicContact OD1-CE1 3.58Å; D262-H315 IonicContact OD2-CE1 3.46Å; D262-H315 PolarHBondContact OD2-CE1 3.18Å; D262-H315 IonicContact OD2-NE2 3.99Å
263	H	97.6	Very high	96.8	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.028	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.2	179.6	-73.8	87.5	0	0	0	109.5	Y169 I265 M295 L296 N301 L302 H315	Y169-H263 AromaticContact CD2-CE1 3.59Å; Y169-H263 AromaticContact CE2-CE1 3.51Å; Y169-H263 AromaticContact CG-CE1 3.94Å; Y169-H263 AromaticContact CZ-CE1 3.82Å; H263-I265 WeakPolarHBondContact CB-O 3.27Å; H263-M295 PolarHBondContact CD2-O 3.35Å; H263-L296 PolarHBondContact NE2-O 3.27Å; H263-N301 WeakPolarHBondContact CA-O 3.44Å; H263-L302 VanDerWaalsContact CE1-CD2 3.4Å; H263-L302 WeakPolarHBondContact CE1-CD2 3.1Å; H263-L302 VanDerWaalsContact NE2-CD2 3.35Å; H263-L302 WeakPolarHBondContact NE2-CD2 3.23Å; H263-H315 PolarHBondContact O-CE1 3.35Å; H263-H315 PolarHBondContact O-ND1 3.36Å
264	R	96.6	Very high	96.8	Very high	104 Å²	104	43.7 Å²	43.7	39%	0.392	22%	0.22	S	C	.	.	S	Bend	trans	-60.9	-57.6	176.7	-61.3	172.2	62.8	-134.6	-7.3	110.8	F233 N301 K303 H315 L317	F233-R264 HydrophobicContact CB-CB 4.34Å; F233-R264 HydrophobicContact CB-CG 4.25Å; F233-R264 PolarHBondContact O-NE 3.02Å; R264-N301 WeakPolarHBondContact CB-OD1 3.24Å; R264-N301 PolarHBondContact N-O 3.28Å; R264-N301 PolarHBondContact N-OD1 3.05Å; R264-K303 HydrophobicContact CG-CD 3.71Å; R264-K303 HydrophobicContact CG-CG 3.84Å; R264-H315 WeakPolarHBondContact O-CB 3.42Å; R264-H315 PolarHBondContact O-ND1 3.44Å; R264-L317 HydrophobicContact CB-CD1 4.14Å; R264-L317 WeakPolarHBondContact O-CD1 3.45Å
265	I	97	Very high	96.8	Very high	22 Å²	22	39.7 Å²	39.7	11%	0.113	20%	0.2	C	C	.	.	S	Bend	trans	-82.4	114.6	164.8	-58.1	171.6	0	0	0	106.8	H263 K267 T270 I271 M295 N301 L317 T318	H263-I265 WeakPolarHBondContact CB-O 3.27Å; I265-K267 PolarHBondContact O-N 3.28Å; I265-T270 HydrophobicContact CG2-CG2 3.72Å; I265-I271 HydrophobicContact CB-CD1 4.36Å; I265-I271 HydrophobicContact CB-CG1 4.33Å; I265-I271 HydrophobicContact CG2-CD1 4.28Å; I265-I271 HydrophobicContact CG2-CG1 3.72Å; I265-I271 WeakPolarHBondContact O-CD1 3.22Å; I265-M295 HydrophobicContact CD1-SD 3.8Å; I265-N301 PolarHBondContact N-OD1 3.2Å; I265-N301 PolarHBondContact O-ND2 3.16Å; I265-L317 HydrophobicContact CG1-CB 3.95Å; I265-T318 WeakPolarHBondContact CD1-O 3.27Å
266	E	96.4	Very high	96.7	Very high	28 Å²	28	38.3 Å²	38.3	13%	0.131	19%	0.19	C	C	.	.			trans	-62.7	128.9	-170.4	-70.9	178.9	86	0	0	112.9	R269 T270 I271 A314 H315	E266-R269 HydrophobicContact CB-CB 4Å; E266-R269 VanDerWaalsContact OE1-CD 3.29Å; E266-R269 WeakPolarHBondContact OE1-CD 3.5Å; E266-R269 IonicContact OE1-CZ 2.71Å; E266-R269 IonicContact OE1-NE 3.28Å; E266-R269 IonicContact OE1-NH1 2.71Å; E266-R269 PolarHBondContact OE1-NH1 2.94Å; E266-R269 WeakPolarHBondContact OE2-CD 3.43Å; E266-R269 IonicContact OE2-NH1 3.6Å; E266-T270 WeakPolarHBondContact O-CA 3.3Å; E266-T270 VanDerWaalsContact O-CB 3.31Å; E266-T270 WeakPolarHBondContact O-CB 3.49Å; E266-T270 PolarHBondContact O-N 3.19Å; E266-I271 PolarHBondContact O-N 2.89Å; E266-A314 WeakPolarHBondContact OE2-CA 3.43Å; E266-H315 HydrophobicContact CG-CB 3.86Å; E266-H315 PolarHBondContact OE2-N 2.95Å
267	K	95.4	Very high	96.5	Very high	37 Å²	37	45 Å²	45	16%	0.161	22%	0.222	C	C	.	.	I	π-helix	trans	-58.5	-51.9	178.5	55.2	174.2	171.9	179.6	0	113.5	Y169 E172 I265 I271 I272 L296	Y169-K267 HydrophobicContact CD1-CD 4.24Å; Y169-K267 VanDerWaalsContact CE1-NZ 3.28Å; E172-K267 IonicContact OE1-NZ 2.96Å; E172-K267 PolarHBondContact OE1-NZ 2.98Å; E172-K267 WeakPolarHBondContact OE2-CD 3.37Å; E172-K267 WeakPolarHBondContact OE2-CE 3.42Å; E172-K267 IonicContact OE2-NZ 2.99Å; E172-K267 PolarHBondContact OE2-NZ 3.47Å; I265-K267 PolarHBondContact O-N 3.28Å; K267-I271 PolarHBondContact O-N 3.27Å; K267-I272 WeakPolarHBondContact O-CB 3.45Å; K267-I272 WeakPolarHBondContact O-CG1 3.4Å; K267-I272 PolarHBondContact O-N 3.32Å; K267-L296 HydrophobicContact CB-CD2 4.01Å
268	K	94.1	Very high	96.4	Very high	138 Å²	138	41.6 Å²	41.6	60%	0.6	20%	0.198	S	C	*	.	I	π-helix	trans	-81.1	-36.9	-172.8	-75.4	-168	-177.6	-175.7	0	112.8	E172 P273	E172-K268 WeakPolarHBondContact OE2-CE 3.37Å; K268-P273 VanDerWaalsContact O-CD 3.31Å; K268-P273 WeakPolarHBondContact O-CD 3.19Å; K268-P273 WeakPolarHBondContact O-CG 3.39Å
269	R	93.5	Very high	96.2	Very high	137 Å²	137	39.5 Å²	39.5	52%	0.517	19%	0.185	S	C	.	.	I	π-helix	trans	-83.7	-28.1	-177.6	-64.6	-165.6	178	131.2	-12.2	112.9	E266 G313 A314	E266-R269 HydrophobicContact CB-CB 4Å; E266-R269 VanDerWaalsContact OE1-CD 3.29Å; E266-R269 WeakPolarHBondContact OE1-CD 3.5Å; E266-R269 IonicContact OE1-CZ 2.71Å; E266-R269 IonicContact OE1-NE 3.28Å; E266-R269 IonicContact OE1-NH1 2.71Å; E266-R269 PolarHBondContact OE1-NH1 2.94Å; E266-R269 WeakPolarHBondContact OE2-CD 3.43Å; E266-R269 IonicContact OE2-NH1 3.6Å; R269-G313 PolarHBondContact NH1-O 3.33Å; R269-G313 VanDerWaalsContact NH1-O 3.14Å; R269-A314 VanDerWaalsContact NH1-CA 3.26Å
270	T	96.2	Very high	96	Very high	26 Å²	26	43.3 Å²	43.3	16%	0.16	20%	0.203	C	C	.	.	I	π-helix	trans	-126.5	-59.6	-170.8	-45.9	0	0	0	0	112.8	I265 E266 P273 A274	I265-T270 HydrophobicContact CG2-CG2 3.72Å; E266-T270 WeakPolarHBondContact O-CA 3.3Å; E266-T270 VanDerWaalsContact O-CB 3.31Å; E266-T270 WeakPolarHBondContact O-CB 3.49Å; E266-T270 PolarHBondContact O-N 3.19Å; T270-P273 WeakPolarHBondContact O-CD 3.28Å; T270-A274 WeakPolarHBondContact O-CB 3.49Å; T270-A274 PolarHBondContact O-N 3Å
271	I	97.6	Very high	95.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-68	-48.7	-167	-55.4	165.5	0	0	0	112.5	I265 E266 K267 A274 L275 F292 M295 L296 N301	I265-I271 HydrophobicContact CB-CD1 4.36Å; I265-I271 HydrophobicContact CB-CG1 4.33Å; I265-I271 HydrophobicContact CG2-CD1 4.28Å; I265-I271 HydrophobicContact CG2-CG1 3.72Å; I265-I271 WeakPolarHBondContact O-CD1 3.22Å; E266-I271 PolarHBondContact O-N 2.89Å; K267-I271 PolarHBondContact O-N 3.27Å; I271-A274 PolarHBondContact O-N 3.16Å; I271-L275 PolarHBondContact O-N 3.32Å; I271-F292 HydrophobicContact CG2-CD1 3.74Å; I271-F292 HydrophobicContact CG2-CE1 4.29Å; I271-M295 HydrophobicContact CD1-CB 3.65Å; I271-M295 WeakPolarHBondContact CD1-O 3.37Å; I271-M295 HydrophobicContact CG1-CB 4.18Å; I271-M295 HydrophobicContact CG2-CB 4.19Å; I271-L296 HydrophobicContact CB-CD2 4.11Å; I271-L296 HydrophobicContact CD1-CD2 4.31Å; I271-L296 HydrophobicContact CG2-CD1 4.35Å; I271-L296 HydrophobicContact CG2-CD2 3.77Å; I271-L296 HydrophobicContact CG2-CG 3.79Å; I271-N301 WeakPolarHBondContact CD1-ND2 3.25Å
272	I	96.8	Very high	95.5	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-48.6	179.5	-68.3	168.1	0	0	0	110.6	V173 A176 K267 A274 L275 L276 L296	V173-I272 HydrophobicContact CG2-CD1 4.02Å; V173-I272 HydrophobicContact CG2-CG1 4.17Å; A176-I272 HydrophobicContact CB-CG2 3.51Å; K267-I272 WeakPolarHBondContact O-CB 3.45Å; K267-I272 WeakPolarHBondContact O-CG1 3.4Å; K267-I272 PolarHBondContact O-N 3.32Å; I272-A274 VanDerWaalsContact C-N 3.34Å; I272-A274 PolarHBondContact O-N 3.01Å; I272-L275 PolarHBondContact O-N 3.29Å; I272-L276 HydrophobicContact CG2-CD1 4.01Å; I272-L276 HydrophobicContact CG2-CG 4.49Å; I272-L276 WeakPolarHBondContact O-CG 3.5Å; I272-L276 PolarHBondContact O-N 2.9Å; I272-L296 HydrophobicContact CG1-CD2 4.31Å
273	P	95.9	Very high	95.3	Very high	53 Å²	53	55 Å²	55	34%	0.344	26%	0.261	S	S	.	.	H	α-helix	trans	-55.3	-43.8	172.2	-29.8	37.6	0	0	0	113.8	K268 T270 L275 L276 E277	K268-P273 VanDerWaalsContact O-CD 3.31Å; K268-P273 WeakPolarHBondContact O-CD 3.19Å; K268-P273 WeakPolarHBondContact O-CG 3.39Å; T270-P273 WeakPolarHBondContact O-CD 3.28Å; P273-L275 VanDerWaalsContact C-N 3.34Å; P273-L275 PolarHBondContact O-N 2.84Å; P273-L276 WeakPolarHBondContact O-CB 3.43Å; P273-L276 PolarHBondContact O-N 2.88Å; P273-E277 WeakPolarHBondContact O-CB 3.35Å; P273-E277 PolarHBondContact O-N 2.77Å
274	A	96.6	Very high	95.2	Very high	13 Å²	13	55.4 Å²	55.4	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-37.9	178.8	0	0	0	0	0	112.6	T270 I271 I272 A278 F292 C319 M324	T270-A274 WeakPolarHBondContact O-CB 3.49Å; T270-A274 PolarHBondContact O-N 3Å; I271-A274 PolarHBondContact O-N 3.16Å; I272-A274 VanDerWaalsContact C-N 3.34Å; I272-A274 PolarHBondContact O-N 3.01Å; A274-A278 WeakPolarHBondContact O-CB 3.43Å; A274-A278 PolarHBondContact O-N 2.87Å; A274-F292 HydrophobicContact CB-CE1 4.46Å; A274-C319 HydrophobicContact CB-CB 4.22Å; A274-M324 HydrophobicContact CB-CE 3.88Å; A274-M324 HydrophobicContact CB-SD 4.5Å; A274-M324 WeakPolarHBondContact O-CE 3.41Å
275	L	96.6	Very high	95	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-44.2	173.2	179.9	58	0	0	0	111.3	F189 L196 I271 I272 P273 A278 L279 I287 F292	F189-L275 HydrophobicContact CD2-CD2 4.45Å; F189-L275 HydrophobicContact CD2-CG 4.44Å; F189-L275 HydrophobicContact CE2-CD2 3.98Å; F189-L275 HydrophobicContact CE2-CG 4.23Å; L196-L275 HydrophobicContact CD1-CD2 4.35Å; I271-L275 PolarHBondContact O-N 3.32Å; I272-L275 PolarHBondContact O-N 3.29Å; P273-L275 VanDerWaalsContact C-N 3.34Å; P273-L275 PolarHBondContact O-N 2.84Å; L275-A278 PolarHBondContact O-N 2.83Å; L275-L279 HydrophobicContact CD1-CD1 4.04Å; L275-L279 HydrophobicContact CD1-CG 4.36Å; L275-L279 HydrophobicContact CG-CD1 4.12Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.92Å; L275-L279 VanDerWaalsContact O-N 3.13Å; L275-I287 HydrophobicContact CD1-CG2 4.01Å; L275-F292 HydrophobicContact CB-CD1 3.86Å; L275-F292 HydrophobicContact CB-CE1 3.57Å; L275-F292 HydrophobicContact CB-CZ 4.06Å; L275-F292 HydrophobicContact CD1-CD1 4.27Å; L275-F292 HydrophobicContact CD1-CD2 4.01Å; L275-F292 HydrophobicContact CD1-CE1 4.21Å; L275-F292 HydrophobicContact CD1-CE2 3.95Å; L275-F292 HydrophobicContact CD1-CG 4.17Å; L275-F292 HydrophobicContact CD1-CZ 4.03Å; L275-F292 HydrophobicContact CG-CD1 4.44Å; L275-F292 HydrophobicContact CG-CE1 4.42Å
276	L	95.1	Very high	94.8	Very high	26 Å²	26	55.9 Å²	55.9	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-45.2	178.5	-74.6	169.5	0	0	0	112	A176 I180 F189 I272 P273 L279 Q280	A176-L276 HydrophobicContact CB-CD1 4.38Å; I180-L276 HydrophobicContact CD1-CD2 3.4Å; I180-L276 HydrophobicContact CG1-CD2 3.7Å; F189-L276 HydrophobicContact CD2-CD2 3.27Å; F189-L276 HydrophobicContact CD2-CG 4.01Å; F189-L276 HydrophobicContact CE2-CD2 3.46Å; F189-L276 VanDerWaalsContact CE2-CD2 3.46Å; F189-L276 HydrophobicContact CE2-CG 3.78Å; F189-L276 HydrophobicContact CG-CD2 3.95Å; F189-L276 HydrophobicContact CZ-CD2 4.28Å; I272-L276 HydrophobicContact CG2-CD1 4.01Å; I272-L276 HydrophobicContact CG2-CG 4.49Å; I272-L276 WeakPolarHBondContact O-CG 3.5Å; I272-L276 PolarHBondContact O-N 2.9Å; P273-L276 WeakPolarHBondContact O-CB 3.43Å; P273-L276 PolarHBondContact O-N 2.88Å; L276-L279 PolarHBondContact O-N 2.92Å; L276-Q280 PolarHBondContact O-N 2.77Å
277	E	94.4	Very high	94.8	Very high	142 Å²	142	54.6 Å²	54.6	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-61.9	-46.6	177.9	-173.8	178.5	179.8	0	0	111.1	P273 L279 Q280	P273-E277 WeakPolarHBondContact O-CB 3.35Å; P273-E277 PolarHBondContact O-N 2.77Å; E277-L279 PolarHBondContact O-N 3.36Å; E277-Q280 VanDerWaalsContact O-CB 3.27Å; E277-Q280 WeakPolarHBondContact O-CB 3.28Å; E277-Q280 PolarHBondContact O-N 2.82Å
278	A	94.8	Very high	94.9	Very high	5 Å²	5	54 Å²	54	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-34.9	176.8	0	0	0	0	0	112.6	A274 L275 Q280 T281 H282 I287 M324 F325	A274-A278 WeakPolarHBondContact O-CB 3.43Å; A274-A278 PolarHBondContact O-N 2.87Å; L275-A278 PolarHBondContact O-N 2.83Å; A278-Q280 VanDerWaalsContact C-N 3.3Å; A278-Q280 PolarHBondContact O-N 3Å; A278-T281 PolarHBondContact O-N 3.32Å; A278-H282 WeakPolarHBondContact O-CB 3.37Å; A278-H282 PolarHBondContact O-CD2 3.05Å; A278-H282 PolarHBondContact O-N 2.78Å; A278-I287 HydrophobicContact CB-CD1 3.76Å; A278-M324 HydrophobicContact CB-CE 4.09Å; A278-F325 HydrophobicContact CB-CE1 3.95Å; A278-F325 HydrophobicContact CB-CZ 4Å
279	L	95.4	Very high	95.1	Very high	5 Å²	5	48 Å²	48	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-80.6	-5	177.9	-67.7	172.7	0	0	0	114.1	V185 E188 F189 A192 L275 L276 E277 T281 I287	V185-L279 HydrophobicContact CG1-CB 4.29Å; E188-L279 HydrophobicContact CB-CD2 4.14Å; F189-L279 HydrophobicContact CB-CD1 4.03Å; F189-L279 HydrophobicContact CD2-CD1 3.93Å; F189-L279 HydrophobicContact CG-CD1 4.43Å; A192-L279 HydrophobicContact CB-CD1 4.2Å; L275-L279 HydrophobicContact CD1-CD1 4.04Å; L275-L279 HydrophobicContact CD1-CG 4.36Å; L275-L279 HydrophobicContact CG-CD1 4.12Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 2.92Å; L275-L279 VanDerWaalsContact O-N 3.13Å; L276-L279 PolarHBondContact O-N 2.92Å; E277-L279 PolarHBondContact O-N 3.36Å; L279-T281 VanDerWaalsContact C-N 3.3Å; L279-I287 HydrophobicContact CD2-CD1 4.44Å; L279-I287 HydrophobicContact CD2-CG1 3.73Å; L279-I287 HydrophobicContact CG-CG1 4.46Å
280	Q	93.6	Very high	95.3	Very high	85 Å²	85	45.2 Å²	45.2	40%	0.397	25%	0.245	S	C	.	.	H	α-helix	trans	-68	-34.4	168.7	-67.2	-69.8	-34.1	0	0	111.4	L276 E277 A278	L276-Q280 PolarHBondContact O-N 2.77Å; E277-Q280 VanDerWaalsContact O-CB 3.27Å; E277-Q280 WeakPolarHBondContact O-CB 3.28Å; E277-Q280 PolarHBondContact O-N 2.82Å; A278-Q280 VanDerWaalsContact C-N 3.3Å; A278-Q280 PolarHBondContact O-N 3Å
281	T	91.6	Very high	95.4	Very high	109 Å²	109	44.4 Å²	44.4	67%	0.669	24%	0.239	S	C	*	.	H	α-helix	trans	-115.7	-20.9	-172.3	52.5	0	0	0	0	113.6	A278 L279	A278-T281 PolarHBondContact O-N 3.32Å; L279-T281 VanDerWaalsContact C-N 3.3Å
282	H	93.4	Very high	95.4	Very high	76 Å²	76	44.4 Å²	44.4	35%	0.352	24%	0.239	S	C	.	.	S	Bend	trans	-120.3	158.9	-176.8	-59.8	-81.1	0	0	0	112.9	A278 D286 I287 F325	A278-H282 WeakPolarHBondContact O-CB 3.37Å; A278-H282 PolarHBondContact O-CD2 3.05Å; A278-H282 PolarHBondContact O-N 2.78Å; H282-D286 HydrophobicContact CB-CB 4.2Å; H282-I287 HydrophobicContact CB-CD1 3.97Å; H282-F325 HydrophobicContact CB-CE1 4.39Å; H282-F325 AromaticContact CD2-CE1 3.32Å; H282-F325 WeakPolarHBondContact CD2-CE1 3.36Å; H282-F325 AromaticContact CD2-CZ 3.87Å; H282-F325 AromaticContact CG-CE1 3.8Å; H282-F325 AromaticContact NE2-CE1 3.75Å
283	K	93.3	Very high	95.5	Very high	129 Å²	129	44.1 Å²	44.1	56%	0.561	24%	0.237	S	C	*	.			trans	-85.2	158.1	171.1	-64.4	179.8	-179.1	176.7	0	109.9	A285 D286	K283-A285 PolarHBondContact O-N 2.72Å; K283-D286 PolarHBondContact N-OD2 3.25Å; K283-D286 VanDerWaalsContact N-OD2 3.13Å; K283-D286 WeakPolarHBondContact O-CB 3.49Å; K283-D286 PolarHBondContact O-N 2.86Å
284	T	93.9	Very high	95.6	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.08	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-51.5	-34.3	175.1	-52.6	0	0	0	0	112.7	E188 K191 A192 D286 I287 L289	E188-T284 PolarHBondContact O-OG1 3.19Å; E188-T284 VanDerWaalsContact OE2-CB 3.31Å; E188-T284 WeakPolarHBondContact OE2-CB 3.4Å; E188-T284 PolarHBondContact OE2-N 3.2Å; E188-T284 PolarHBondContact OE2-OG1 3.21Å; K191-T284 HydrophobicContact CB-CG2 4.26Å; A192-T284 HydrophobicContact CB-CG2 3.93Å; T284-D286 PolarHBondContact O-N 3.15Å; T284-I287 PolarHBondContact O-N 3.15Å; T284-L289 HydrophobicContact CG2-CD1 3.96Å
285	A	93.1	Very high	95.6	Very high	61 Å²	61	44.9 Å²	44.9	50%	0.504	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.7	-23.1	179.5	0	0	0	0	0	113.9	K283 R326	K283-A285 PolarHBondContact O-N 2.72Å; A285-R326 WeakPolarHBondContact O-CD 3.36Å; A285-R326 PolarHBondContact O-NE 3.25Å; A285-R326 PolarHBondContact O-NH1 3.31Å
286	D	93.9	Very high	95.7	Very high	76 Å²	76	44.9 Å²	44.9	41%	0.406	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-89.6	-18.1	179.4	-51.1	-43.4	0	0	0	111.4	H282 K283 T284 R326	H282-D286 HydrophobicContact CB-CB 4.2Å; K283-D286 PolarHBondContact N-OD2 3.25Å; K283-D286 VanDerWaalsContact N-OD2 3.13Å; K283-D286 WeakPolarHBondContact O-CB 3.49Å; K283-D286 PolarHBondContact O-N 2.86Å; T284-D286 PolarHBondContact O-N 3.15Å; D286-R326 PolarHBondContact O-N 3.43Å
287	I	96.4	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-80.7	136.2	-178.9	-53.4	-52.4	0	0	0	111	L275 A278 L279 H282 T284 L289 F292 F325 R326	L275-I287 HydrophobicContact CD1-CG2 4.01Å; A278-I287 HydrophobicContact CB-CD1 3.76Å; L279-I287 HydrophobicContact CD2-CD1 4.44Å; L279-I287 HydrophobicContact CD2-CG1 3.73Å; L279-I287 HydrophobicContact CG-CG1 4.46Å; H282-I287 HydrophobicContact CB-CD1 3.97Å; T284-I287 PolarHBondContact O-N 3.15Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 HydrophobicContact CB-CD2 4.4Å; I287-L289 HydrophobicContact CG2-CD2 4Å; I287-L289 PolarHBondContact O-N 2.96Å; I287-F292 HydrophobicContact CG2-CD2 3.78Å; I287-F292 HydrophobicContact CG2-CE2 3.52Å; I287-F325 HydrophobicContact CD1-CD1 3.78Å; I287-F325 HydrophobicContact CD1-CE1 3.64Å; I287-R326 PolarHBondContact O-NE 3.43Å
288	N	97.3	Very high	96	Very high	26 Å²	26	37.7 Å²	37.7	14%	0.139	20%	0.2	C	C	.	.			trans	-79.7	80.2	169.9	-177.1	11.6	0	0	0	110.3	N290 Y291 K323 M324 R326	N288-N290 PolarHBondContact O-N 3.04Å; N288-N290 VanDerWaalsContact O-N 3.12Å; N288-N290 WeakPolarHBondContact OD1-CB 3.42Å; N288-N290 PolarHBondContact OD1-N 2.85Å; N288-Y291 WeakPolarHBondContact O-CB 3.39Å; N288-Y291 PolarHBondContact O-N 2.84Å; N288-K323 WeakPolarHBondContact CB-O 3.43Å; N288-K323 PolarHBondContact ND2-O 2.87Å; N288-M324 WeakPolarHBondContact CB-O 3.44Å; N288-M324 PolarHBondContact N-O 3.19Å; N288-R326 HydrophobicContact CB-CG 4.39Å
289	L	97.1	Very high	96.1	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.058	22%	0.216	C	C	.	.	H	α-helix	trans	-60	-22.8	178.7	-64.2	179.5	0	0	0	113.6	A192 C195 L196 T284 I287 Y291 F292 Y293	A192-L289 HydrophobicContact CB-CD2 3.85Å; C195-L289 HydrophobicContact CB-CD1 3.5Å; L196-L289 HydrophobicContact CD2-CB 4.39Å; T284-L289 HydrophobicContact CG2-CD1 3.96Å; I287-L289 VanDerWaalsContact C-N 3.32Å; I287-L289 HydrophobicContact CB-CD2 4.4Å; I287-L289 HydrophobicContact CG2-CD2 4Å; I287-L289 PolarHBondContact O-N 2.96Å; L289-Y291 VanDerWaalsContact C-N 3.31Å; L289-Y291 PolarHBondContact O-N 3.2Å; L289-F292 PolarHBondContact O-N 2.86Å; L289-Y293 VanDerWaalsContact O-CB 3.25Å; L289-Y293 WeakPolarHBondContact O-CB 3.33Å; L289-Y293 PolarHBondContact O-N 3.44Å
290	N	97.8	Very high	96.2	Very high	78 Å²	78	47.8 Å²	47.8	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-36.6	174.6	-170	43.7	0	0	0	112	N288 Y293 Q294	N288-N290 PolarHBondContact O-N 3.04Å; N288-N290 VanDerWaalsContact O-N 3.12Å; N288-N290 WeakPolarHBondContact OD1-CB 3.42Å; N288-N290 PolarHBondContact OD1-N 2.85Å; N290-Y293 PolarHBondContact O-N 3.5Å; N290-Q294 VanDerWaalsContact O-CG 3.28Å; N290-Q294 WeakPolarHBondContact O-CG 3.48Å; N290-Q294 PolarHBondContact O-N 2.76Å
291	Y	98.1	Very high	96.4	Very high	10 Å²	10	43.8 Å²	43.8	4%	0.039	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-51.5	173.7	171.1	-106.7	0	0	0	111.1	N288 L289 Y293 Q294 M295 C319 D320 K323 M324	N288-Y291 WeakPolarHBondContact O-CB 3.39Å; N288-Y291 PolarHBondContact O-N 2.84Å; L289-Y291 VanDerWaalsContact C-N 3.31Å; L289-Y291 PolarHBondContact O-N 3.2Å; Y291-Y293 VanDerWaalsContact C-N 3.3Å; Y291-Y293 PolarHBondContact O-N 3.39Å; Y291-Q294 WeakPolarHBondContact O-CB 3.26Å; Y291-Q294 PolarHBondContact O-N 3.47Å; Y291-M295 HydrophobicContact CD2-CG 4.11Å; Y291-M295 HydrophobicContact CE1-CG 4.07Å; Y291-M295 HydrophobicContact CE2-CE 4.36Å; Y291-M295 HydrophobicContact CE2-CG 3.61Å; Y291-M295 HydrophobicContact CE2-SD 3.87Å; Y291-M295 VanDerWaalsContact O-CG 3.31Å; Y291-M295 WeakPolarHBondContact O-CG 3.35Å; Y291-M295 PolarHBondContact O-N 2.92Å; Y291-C319 HydrophobicContact CE1-CB 4.11Å; Y291-C319 VanDerWaalsContact OH-CA 3.23Å; Y291-C319 WeakPolarHBondContact OH-CA 3.25Å; Y291-C319 WeakPolarHBondContact OH-CB 3.12Å; Y291-D320 HydrophobicContact CE2-CB 4.36Å; Y291-D320 PolarHBondContact OH-N 3.04Å; Y291-K323 WeakPolarHBondContact CB-O 3.27Å; Y291-K323 HydrophobicContact CD2-CB 3.77Å; Y291-K323 HydrophobicContact CD2-CD 4.33Å; Y291-K323 HydrophobicContact CE2-CB 4.14Å; Y291-K323 HydrophobicContact CE2-CD 4.45Å; Y291-K323 HydrophobicContact CG-CB 4.04Å; Y291-M324 HydrophobicContact CD1-CG 3.98Å; Y291-M324 HydrophobicContact CE1-CG 3.75Å
292	F	98.1	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-37.7	178.4	-71.3	-81.3	0	0	0	112.6	L196 I271 A274 L275 I287 L289 M295 L296 M324	L196-F292 HydrophobicContact CD2-CB 4.46Å; I271-F292 HydrophobicContact CG2-CD1 3.74Å; I271-F292 HydrophobicContact CG2-CE1 4.29Å; A274-F292 HydrophobicContact CB-CE1 4.46Å; L275-F292 HydrophobicContact CB-CD1 3.86Å; L275-F292 HydrophobicContact CB-CE1 3.57Å; L275-F292 HydrophobicContact CB-CZ 4.06Å; L275-F292 HydrophobicContact CD1-CD1 4.27Å; L275-F292 HydrophobicContact CD1-CD2 4.01Å; L275-F292 HydrophobicContact CD1-CE1 4.21Å; L275-F292 HydrophobicContact CD1-CE2 3.95Å; L275-F292 HydrophobicContact CD1-CG 4.17Å; L275-F292 HydrophobicContact CD1-CZ 4.03Å; L275-F292 HydrophobicContact CG-CD1 4.44Å; L275-F292 HydrophobicContact CG-CE1 4.42Å; I287-F292 HydrophobicContact CG2-CD2 3.78Å; I287-F292 HydrophobicContact CG2-CE2 3.52Å; L289-F292 PolarHBondContact O-N 2.86Å; F292-M295 PolarHBondContact O-N 3.2Å; F292-L296 VanDerWaalsContact O-CB 3.3Å; F292-L296 WeakPolarHBondContact O-CB 3.24Å; F292-L296 VanDerWaalsContact O-CG 3.29Å; F292-L296 WeakPolarHBondContact O-CG 3.35Å; F292-L296 PolarHBondContact O-N 3.47Å; F292-M324 HydrophobicContact CE2-CB 4.25Å; F292-M324 HydrophobicContact CE2-CG 4.21Å; F292-M324 HydrophobicContact CZ-CB 4.28Å; F292-M324 HydrophobicContact CZ-CE 3.89Å; F292-M324 HydrophobicContact CZ-CG 3.86Å
293	Y	98.3	Very high	96.9	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.027	18%	0.179	C	C	.	.	H	α-helix	trans	-57.8	-49.8	173	178.5	-98.1	0	0	0	111.8	L196 M199 L200 D203 L289 N290 Y291 M295 L296 F297 T298	L196-Y293 HydrophobicContact CD2-CD2 4.41Å; M199-Y293 HydrophobicContact CB-CD2 3.63Å; M199-Y293 HydrophobicContact CB-CE2 3.61Å; M199-Y293 HydrophobicContact CB-CG 4.36Å; M199-Y293 HydrophobicContact CE-CD1 3.78Å; M199-Y293 HydrophobicContact CE-CD2 3.93Å; M199-Y293 HydrophobicContact CE-CE1 4.48Å; M199-Y293 HydrophobicContact CE-CG 3.48Å; M199-Y293 VanDerWaalsContact CE-CG 3.48Å; M199-Y293 HydrophobicContact SD-CD2 4.23Å; M199-Y293 HydrophobicContact SD-CG 4.25Å; L200-Y293 HydrophobicContact CB-CE2 4.39Å; L200-Y293 HydrophobicContact CD2-CE2 3.81Å; L200-Y293 HydrophobicContact CG-CE2 3.75Å; D203-Y293 VanDerWaalsContact CB-OH 3.27Å; D203-Y293 WeakPolarHBondContact CB-OH 3.49Å; D203-Y293 VanDerWaalsContact CG-OH 3.28Å; D203-Y293 VanDerWaalsContact OD2-CZ 3.32Å; D203-Y293 PolarHBondContact OD2-OH 3.43Å; L289-Y293 VanDerWaalsContact O-CB 3.25Å; L289-Y293 WeakPolarHBondContact O-CB 3.33Å; L289-Y293 PolarHBondContact O-N 3.44Å; N290-Y293 PolarHBondContact O-N 3.5Å; Y291-Y293 VanDerWaalsContact C-N 3.3Å; Y291-Y293 PolarHBondContact O-N 3.39Å; Y293-M295 VanDerWaalsContact C-N 3.31Å; Y293-M295 PolarHBondContact O-N 3.21Å; Y293-L296 PolarHBondContact O-N 2.86Å; Y293-F297 AromaticContact CD2-CD2 3.67Å; Y293-F297 HydrophobicContact CD2-CD2 3.67Å; Y293-F297 HydrophobicContact CD2-CE2 4.4Å; Y293-F297 HydrophobicContact CE2-CB 4.35Å; Y293-F297 HydrophobicContact CE2-CD2 4Å; Y293-F297 HydrophobicContact CG-CD2 4.4Å; Y293-F297 PolarHBondContact O-N 3.06Å; Y293-T298 HydrophobicContact CD1-CG2 3.91Å; Y293-T298 HydrophobicContact CE1-CG2 3.58Å
294	Q	98.1	Very high	97.1	Very high	63 Å²	63	29.8 Å²	29.8	29%	0.294	15%	0.153	S	C	.	.	H	α-helix	trans	-58.4	-44.9	177.2	-74.6	172.9	-22.3	0	0	111.5	N290 Y291 T298 E300	N290-Q294 VanDerWaalsContact O-CG 3.28Å; N290-Q294 WeakPolarHBondContact O-CG 3.48Å; N290-Q294 PolarHBondContact O-N 2.76Å; Y291-Q294 WeakPolarHBondContact O-CB 3.26Å; Y291-Q294 PolarHBondContact O-N 3.47Å; Q294-T298 VanDerWaalsContact CA-OG1 3.3Å; Q294-T298 WeakPolarHBondContact CA-OG1 2.89Å; Q294-T298 PolarHBondContact O-N 3.26Å; Q294-T298 PolarHBondContact O-OG1 3.1Å; Q294-E300 HydrophobicContact CB-CB 4.25Å; Q294-E300 HydrophobicContact CB-CG 4.23Å; Q294-E300 HydrophobicContact CG-CG 4.28Å
295	M	98.2	Very high	97.3	Very high	19 Å²	19	29.2 Å²	29.2	9%	0.094	15%	0.149	C	C	.	.	H	α-helix	trans	-70.1	-34.4	-178.6	-63	-58.1	93.5	0	0	113.1	H263 I265 I271 Y291 F292 Y293 E300 N301	H263-M295 PolarHBondContact CD2-O 3.35Å; I265-M295 HydrophobicContact CD1-SD 3.8Å; I271-M295 HydrophobicContact CD1-CB 3.65Å; I271-M295 WeakPolarHBondContact CD1-O 3.37Å; I271-M295 HydrophobicContact CG1-CB 4.18Å; I271-M295 HydrophobicContact CG2-CB 4.19Å; Y291-M295 HydrophobicContact CD2-CG 4.11Å; Y291-M295 HydrophobicContact CE1-CG 4.07Å; Y291-M295 HydrophobicContact CE2-CE 4.36Å; Y291-M295 HydrophobicContact CE2-CG 3.61Å; Y291-M295 HydrophobicContact CE2-SD 3.87Å; Y291-M295 VanDerWaalsContact O-CG 3.31Å; Y291-M295 WeakPolarHBondContact O-CG 3.35Å; Y291-M295 PolarHBondContact O-N 2.92Å; F292-M295 PolarHBondContact O-N 3.2Å; Y293-M295 VanDerWaalsContact C-N 3.31Å; Y293-M295 PolarHBondContact O-N 3.21Å; M295-E300 HydrophobicContact CE-CB 3.96Å; M295-N301 HydrophobicContact CE-CB 4.05Å; M295-N301 WeakPolarHBondContact O-CB 2.9Å; M295-N301 PolarHBondContact O-ND2 3.33Å; M295-N301 HydrophobicContact SD-CB 4.05Å
296	L	97.9	Very high	97.6	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-86.2	-34.8	-176.5	-72.6	167.2	0	0	0	113.6	V173 L196 H263 K267 I271 I272 F292 Y293	V173-L296 HydrophobicContact CG2-CD1 4.01Å; V173-L296 HydrophobicContact CG2-CD2 4.24Å; L196-L296 HydrophobicContact CD1-CD1 4.09Å; H263-L296 PolarHBondContact NE2-O 3.27Å; K267-L296 HydrophobicContact CB-CD2 4.01Å; I271-L296 HydrophobicContact CB-CD2 4.11Å; I271-L296 HydrophobicContact CD1-CD2 4.31Å; I271-L296 HydrophobicContact CG2-CD1 4.35Å; I271-L296 HydrophobicContact CG2-CD2 3.77Å; I271-L296 HydrophobicContact CG2-CG 3.79Å; I272-L296 HydrophobicContact CG1-CD2 4.31Å; F292-L296 VanDerWaalsContact O-CB 3.3Å; F292-L296 WeakPolarHBondContact O-CB 3.24Å; F292-L296 VanDerWaalsContact O-CG 3.29Å; F292-L296 WeakPolarHBondContact O-CG 3.35Å; F292-L296 PolarHBondContact O-N 3.47Å; Y293-L296 PolarHBondContact O-N 2.86Å
297	F	98.1	Very high	97.7	Very high	3 Å²	3	28 Å²	28	1%	0.013	13%	0.132	C	C	.	.	H	α-helix	trans	-130.4	-2.2	-161.1	-53.2	-58.9	0	0	0	115.5	I166 V170 V173 L196 L200 N206 Y293	I166-F297 HydrophobicContact CG2-CD1 4.13Å; V170-F297 HydrophobicContact CG2-CE1 3.91Å; V170-F297 HydrophobicContact CG2-CZ 4.19Å; V173-F297 HydrophobicContact CG2-CZ 4.28Å; L196-F297 HydrophobicContact CB-CE2 4.13Å; L196-F297 HydrophobicContact CD2-CE2 4.47Å; L200-F297 HydrophobicContact CD1-CD1 3.78Å; L200-F297 HydrophobicContact CD1-CD2 3.94Å; L200-F297 HydrophobicContact CD1-CE1 3.8Å; L200-F297 HydrophobicContact CD1-CE2 3.97Å; L200-F297 HydrophobicContact CD1-CG 3.85Å; L200-F297 HydrophobicContact CD1-CZ 3.89Å; L200-F297 HydrophobicContact CD2-CB 3.62Å; L200-F297 HydrophobicContact CD2-CD1 4.22Å; L200-F297 HydrophobicContact CD2-CD2 4.14Å; L200-F297 HydrophobicContact CD2-CG 3.73Å; L200-F297 HydrophobicContact CG-CB 4.37Å; L200-F297 HydrophobicContact CG-CD1 4.38Å; L200-F297 HydrophobicContact CG-CD2 3.94Å; L200-F297 HydrophobicContact CG-CE2 4.34Å; L200-F297 HydrophobicContact CG-CG 3.97Å; N206-F297 PolarHBondContact ND2-O 3.43Å; Y293-F297 AromaticContact CD2-CD2 3.67Å; Y293-F297 HydrophobicContact CD2-CD2 3.67Å; Y293-F297 HydrophobicContact CD2-CE2 4.4Å; Y293-F297 HydrophobicContact CE2-CB 4.35Å; Y293-F297 HydrophobicContact CE2-CD2 4Å; Y293-F297 HydrophobicContact CG-CD2 4.4Å; Y293-F297 PolarHBondContact O-N 3.06Å
298	T	98.1	Very high	97.7	Very high	14 Å²	14	33 Å²	33	9%	0.086	16%	0.162	C	C	.	.	S	Bend	trans	-123.1	163	-172.5	81	0	0	0	0	112.9	Y209 Y293 Q294 E300 N301 L302	Y209-T298 WeakPolarHBondContact OH-CA 3.31Å; Y293-T298 HydrophobicContact CD1-CG2 3.91Å; Y293-T298 HydrophobicContact CE1-CG2 3.58Å; Q294-T298 VanDerWaalsContact CA-OG1 3.3Å; Q294-T298 WeakPolarHBondContact CA-OG1 2.89Å; Q294-T298 PolarHBondContact O-N 3.26Å; Q294-T298 PolarHBondContact O-OG1 3.1Å; T298-E300 PolarHBondContact O-N 3.41Å; T298-E300 VanDerWaalsContact O-N 3.08Å; T298-E300 WeakPolarHBondContact OG1-CB 3.49Å; T298-E300 WeakPolarHBondContact OG1-CG 3.34Å; T298-E300 PolarHBondContact OG1-N 3.39Å; T298-N301 PolarHBondContact O-N 3.12Å; T298-N301 VanDerWaalsContact O-N 3.12Å; T298-L302 VanDerWaalsContact O-CB 3.3Å; T298-L302 WeakPolarHBondContact O-CB 3.47Å; T298-L302 VanDerWaalsContact O-CG 3.28Å; T298-L302 WeakPolarHBondContact O-CG 3.4Å; T298-L302 PolarHBondContact O-N 3.35Å
299	R	97	Very high	97.7	Very high	100 Å²	100	32.4 Å²	32.4	38%	0.377	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.4	175	-68.8	168.5	60.8	174	7.3	115	Y209 R219 L220 N301	Y209-R299 HydrophobicContact CD1-CG 4.31Å; Y209-R299 HydrophobicContact CD2-CG 4.4Å; Y209-R299 VanDerWaalsContact CE1-CD 3.44Å; Y209-R299 HydrophobicContact CE1-CG 3.84Å; Y209-R299 HydrophobicContact CE2-CG 3.9Å; Y209-R299 PolarHBondContact OH-N 3.46Å; R219-R299 PolarHBondContact O-NH1 3.27Å; L220-R299 HydrophobicContact CD2-CG 4.2Å; L220-R299 VanDerWaalsContact CD2-CZ 3.46Å; L220-R299 VanDerWaalsContact CD2-NE 3.32Å; R299-N301 PolarHBondContact O-N 3.48Å
300	E	96.8	Very high	97.7	Very high	122 Å²	122	33.9 Å²	33.9	57%	0.57	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-31.9	170.3	-65.6	-69.1	178.8	0	0	111.4	Q294 M295 T298	Q294-E300 HydrophobicContact CB-CB 4.25Å; Q294-E300 HydrophobicContact CB-CG 4.23Å; Q294-E300 HydrophobicContact CG-CG 4.28Å; M295-E300 HydrophobicContact CE-CB 3.96Å; T298-E300 PolarHBondContact O-N 3.41Å; T298-E300 VanDerWaalsContact O-N 3.08Å; T298-E300 WeakPolarHBondContact OG1-CB 3.49Å; T298-E300 WeakPolarHBondContact OG1-CG 3.34Å; T298-E300 PolarHBondContact OG1-N 3.39Å
301	N	97.9	Very high	97.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-16	179.4	-167.6	51.6	0	0	0	113.8	H263 R264 I265 I271 M295 T298 R299	H263-N301 WeakPolarHBondContact CA-O 3.44Å; R264-N301 WeakPolarHBondContact CB-OD1 3.24Å; R264-N301 PolarHBondContact N-O 3.28Å; R264-N301 PolarHBondContact N-OD1 3.05Å; I265-N301 PolarHBondContact N-OD1 3.2Å; I265-N301 PolarHBondContact O-ND2 3.16Å; I271-N301 WeakPolarHBondContact CD1-ND2 3.25Å; M295-N301 HydrophobicContact CE-CB 4.05Å; M295-N301 WeakPolarHBondContact O-CB 2.9Å; M295-N301 PolarHBondContact O-ND2 3.33Å; M295-N301 HydrophobicContact SD-CB 4.05Å; T298-N301 PolarHBondContact O-N 3.12Å; T298-N301 VanDerWaalsContact O-N 3.12Å; R299-N301 PolarHBondContact O-N 3.48Å
302	L	97.8	Very high	96.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.7	176.1	-66.9	176.1	0	0	0	111.9	I166 Y169 L261 D262 H263 T298	I166-L302 HydrophobicContact CD1-CD1 3.82Å; Y169-L302 HydrophobicContact CE2-CD1 4.29Å; Y169-L302 HydrophobicContact CE2-CD2 3.92Å; L261-L302 HydrophobicContact CB-CD2 4.3Å; L261-L302 WeakPolarHBondContact O-CD2 3.41Å; D262-L302 CarbonylContact O-C 3.52Å; D262-L302 WeakPolarHBondContact O-CA 3.36Å; H263-L302 VanDerWaalsContact CE1-CD2 3.4Å; H263-L302 WeakPolarHBondContact CE1-CD2 3.1Å; H263-L302 VanDerWaalsContact NE2-CD2 3.35Å; H263-L302 WeakPolarHBondContact NE2-CD2 3.23Å; T298-L302 VanDerWaalsContact O-CB 3.3Å; T298-L302 WeakPolarHBondContact O-CB 3.47Å; T298-L302 VanDerWaalsContact O-CG 3.28Å; T298-L302 WeakPolarHBondContact O-CG 3.4Å; T298-L302 PolarHBondContact O-N 3.35Å
303	K	97.6	Very high	96.4	Very high	18 Å²	18	44 Å²	44	8%	0.078	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.9	169.4	-66.1	-171.1	73.8	179.9	0	110.6	Q230 G231 S232 Q235 N260 L261 D262 R264 V305	Q230-K303 HydrophobicContact CB-CB 4.31Å; Q230-K303 WeakPolarHBondContact O-CE 3.43Å; Q230-K303 PolarHBondContact O-NZ 3.42Å; G231-K303 VanDerWaalsContact O-CE 3.24Å; G231-K303 WeakPolarHBondContact O-CE 3.22Å; G231-K303 PolarHBondContact O-NZ 3.41Å; S232-K303 PolarHBondContact O-NZ 3.5Å; Q235-K303 PolarHBondContact O-NZ 3.08Å; N260-K303 VanDerWaalsContact O-O 3.13Å; L261-K303 CarbonylContact C-O 3.49Å; L261-K303 WeakPolarHBondContact CA-O 3.12Å; D262-K303 PolarHBondContact N-O 3.25Å; D262-K303 PolarHBondContact O-N 2.96Å; R264-K303 HydrophobicContact CG-CD 3.71Å; R264-K303 HydrophobicContact CG-CG 3.84Å; K303-V305 HydrophobicContact CB-CG1 4.04Å; K303-V305 PolarHBondContact O-N 2.78Å
304	L	98.4	Very high	95.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	116.4	168.6	-177.6	63.9	0	0	0	109.7	F210 L220 F227 Q230 F256 W259 N260 L261	F210-L304 HydrophobicContact CE1-CD1 4.2Å; F210-L304 HydrophobicContact CE1-CD2 4.46Å; F210-L304 HydrophobicContact CZ-CD1 4.25Å; L220-L304 HydrophobicContact CB-CD2 4.39Å; L220-L304 HydrophobicContact CD1-CB 4.14Å; L220-L304 HydrophobicContact CD1-CD2 4.25Å; F227-L304 HydrophobicContact CB-CD2 3.91Å; F227-L304 HydrophobicContact CD1-CD2 3.42Å; F227-L304 VanDerWaalsContact CD1-CD2 3.42Å; F227-L304 HydrophobicContact CE1-CD2 4.33Å; F227-L304 HydrophobicContact CG-CD2 4.02Å; Q230-L304 PolarHBondContact N-O 3.4Å; F256-L304 HydrophobicContact CE2-CD1 4.35Å; F256-L304 HydrophobicContact CE2-CD2 4.29Å; F256-L304 HydrophobicContact CZ-CD1 4.34Å; F256-L304 HydrophobicContact CZ-CD2 4.39Å; W259-L304 HydrophobicContact CB-CD1 4.24Å; W259-L304 HydrophobicContact CE3-CD1 4.21Å; W259-L304 HydrophobicContact CE3-CD2 4.44Å; W259-L304 HydrophobicContact CE3-CG 3.97Å; W259-L304 HydrophobicContact CZ3-CG 4.44Å; N260-L304 CarbonylContact O-C 3.54Å; N260-L304 VanDerWaalsContact O-CA 3.3Å; N260-L304 WeakPolarHBondContact O-CA 3.44Å; L261-L304 HydrophobicContact CD2-CB 4.04Å; L261-L304 HydrophobicContact CD2-CD1 4.18Å; L261-L304 HydrophobicContact CG-CD1 4.49Å
305	V	98.1	Very high	95.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.6	-174.7	-62	0	0	0	0	112	G231 W259 N260 D262 K303 C309 H310	G231-V305 WeakPolarHBondContact O-CG1 3.14Å; W259-V305 CarbonylContact C-O 3.57Å; W259-V305 WeakPolarHBondContact CA-O 3.38Å; N260-V305 HydrophobicContact CB-CG2 4.04Å; N260-V305 PolarHBondContact N-O 3.22Å; N260-V305 PolarHBondContact O-N 2.85Å; D262-V305 HydrophobicContact CB-CG2 3.68Å; K303-V305 HydrophobicContact CB-CG1 4.04Å; K303-V305 PolarHBondContact O-N 2.78Å; V305-C309 HydrophobicContact CB-CB 4.28Å; V305-H310 HydrophobicContact CG2-CB 3.84Å
306	H	98.4	Very high	95	Very high	37 Å²	37	50 Å²	50	17%	0.171	26%	0.262	C	S	.	.			trans	-59.9	148.9	164.7	-176.1	-104.5	0	0	0	109.7	C229 H242 W259 V308 C309 H310	C229-H306 HydrophobicContact CB-CB 4.35Å; C229-H306 PolarHBondContact SG-N 3Å; C229-H306 VanDerWaalsContact SG-N 3.38Å; H242-H306 HydrophobicContact CB-CB 3.87Å; H242-H306 AromaticContact CD2-ND1 3.86Å; H242-H306 AromaticContact CE1-ND1 3.66Å; H242-H306 AromaticContact CG-CG 3.87Å; H242-H306 AromaticContact ND1-CG 3.97Å; H242-H306 AromaticContact ND1-ND1 3.89Å; H242-H306 AromaticContact NE2-ND1 3.63Å; W259-H306 HydrophobicContact CD2-CB 4.35Å; W259-H306 AromaticContact CE2-CD2 3.62Å; W259-H306 HydrophobicContact CE3-CB 4.47Å; W259-H306 HydrophobicContact CH2-CB 4.22Å; W259-H306 HydrophobicContact CZ2-CB 4.05Å; W259-H306 AromaticContact CZ2-CD2 3.77Å; W259-H306 HydrophobicContact CZ3-CB 4.43Å; W259-H306 AromaticContact NE1-CD2 3.5Å; H306-V308 PolarHBondContact ND1-N 3.01Å; H306-V308 PolarHBondContact O-N 3.35Å; H306-V308 VanDerWaalsContact O-N 3.11Å; H306-C309 WeakPolarHBondContact O-CA 3.37Å; H306-C309 PolarHBondContact O-N 2.89Å; H306-H310 PolarHBondContact O-N 3.4Å
307	I	97.2	Very high	94.8	Very high	76 Å²	76	52.6 Å²	52.6	39%	0.39	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-55.3	-34.7	-175.5	-168	168.8	0	0	0	113.2	T258 C309 H310	T258-I307 WeakPolarHBondContact O-CB 3.23Å; I307-C309 VanDerWaalsContact C-N 3.3Å; I307-C309 PolarHBondContact O-N 2.81Å; I307-H310 WeakPolarHBondContact O-CB 3.31Å; I307-H310 PolarHBondContact O-N 2.86Å
308	V	96.6	Very high	94.6	Very high	104 Å²	104	58 Å²	58	63%	0.63	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-70.8	-25.8	177.5	178	0	0	0	0	112.2	H306	H306-V308 PolarHBondContact ND1-N 3.01Å; H306-V308 PolarHBondContact O-N 3.35Å; H306-V308 VanDerWaalsContact O-N 3.11Å
309	C	96.8	Very high	94.5	Very high	13 Å²	13	57.9 Å²	57.9	9%	0.088	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-89.6	-6.8	176	-63.5	0	0	0	0	113.2	S232 H242 V305 H306 I307 K311	S232-C309 WeakPolarHBondContact CA-O 3.3Å; S232-C309 WeakPolarHBondContact CB-O 3.19Å; H242-C309 PolarHBondContact ND1-SG 3.06Å; H242-C309 VanDerWaalsContact ND1-SG 3.41Å; V305-C309 HydrophobicContact CB-CB 4.28Å; H306-C309 WeakPolarHBondContact O-CA 3.37Å; H306-C309 PolarHBondContact O-N 2.89Å; I307-C309 VanDerWaalsContact C-N 3.3Å; I307-C309 PolarHBondContact O-N 2.81Å; C309-K311 PolarHBondContact O-N 2.68Å
310	H	95.6	Very high	94.4	Very high	43 Å²	43	55.5 Å²	55.5	20%	0.199	30%	0.304	C	S	.	.			trans	-82	96.4	177.5	-177.6	-164.4	0	0	0	109.7	N260 D262 V305 H306 I307 K312	N260-H310 PolarHBondContact ND2-ND1 3.43Å; N260-H310 VanDerWaalsContact ND2-ND1 3.2Å; D262-H310 IonicContact OD1-CD2 3.7Å; D262-H310 IonicContact OD1-NE2 2.66Å; D262-H310 IonicContact OD2-CD2 3.54Å; V305-H310 HydrophobicContact CG2-CB 3.84Å; H306-H310 PolarHBondContact O-N 3.4Å; I307-H310 WeakPolarHBondContact O-CB 3.31Å; I307-H310 PolarHBondContact O-N 2.86Å; H310-K312 PolarHBondContact O-N 2.79Å
311	K	92.3	Very high	94.1	Very high	96 Å²	96	54.2 Å²	54.2	42%	0.417	30%	0.304	S	S	.	.			trans	-74.2	106.8	175.2	-69.5	-172.4	177.4	-173.8	0	109.1	F233 E234 C309 G313 H315	F233-K311 HydrophobicContact CD1-CB 4.39Å; F233-K311 HydrophobicContact CD1-CD 4.38Å; F233-K311 HydrophobicContact CE1-CB 4.33Å; F233-K311 HydrophobicContact CE1-CD 4.01Å; E234-K311 IonicContact OE2-NZ 2.65Å; E234-K311 PolarHBondContact OE2-NZ 2.81Å; C309-K311 PolarHBondContact O-N 2.68Å; K311-G313 PolarHBondContact O-N 2.82Å; K311-H315 PolarHBondContact O-NE2 2.68Å
312	K	87.5	Confident	93.7	Very high	159 Å²	159	60.6 Å²	60.6	69%	0.691	34%	0.338	S	S	*	.			trans	-76.5	-0.4	179.6	-63.4	-178.2	179.2	178	0	114.7	H310	H310-K312 PolarHBondContact O-N 2.79Å
313	G	87.4	Confident	93.6	Very high	44 Å²	44	66 Å²	66	45%	0.454	36%	0.361	S	S	.	.	S	Bend	trans	-66.5	178.1	175.2	0	0	0	0	0	112.1	R269 K311	R269-G313 PolarHBondContact NH1-O 3.33Å; R269-G313 VanDerWaalsContact NH1-O 3.14Å; K311-G313 PolarHBondContact O-N 2.82Å
314	A	87.3	Confident	93.4	Very high	56 Å²	56	65.8 Å²	65.8	46%	0.463	36%	0.361	S	S	.	.			trans	-67.3	139.1	169.2	0	0	0	0	0	109.9	E266 R269	E266-A314 WeakPolarHBondContact OE2-CA 3.43Å; R269-A314 VanDerWaalsContact NH1-CA 3.26Å
315	H	89.9	Confident	93.2	Very high	8 Å²	8	68.9 Å²	68.9	4%	0.037	38%	0.375	C	S	.	.			trans	-94.2	115.8	167.5	-54.6	173.5	0	0	0	106	F233 D262 H263 R264 E266 K311 L317	F233-H315 HydrophobicContact CD1-CB 4.48Å; F233-H315 AromaticContact CD1-CD2 3.29Å; F233-H315 WeakPolarHBondContact CD1-CD2 3.46Å; F233-H315 AromaticContact CD1-CE1 3.77Å; F233-H315 AromaticContact CD1-CG 3.7Å; F233-H315 AromaticContact CD1-ND1 3.96Å; F233-H315 AromaticContact CD1-NE2 3.34Å; F233-H315 VanDerWaalsContact CD1-NE2 3.34Å; F233-H315 WeakPolarHBondContact CD1-NE2 3.44Å; F233-H315 HydrophobicContact CD2-CB 3.87Å; F233-H315 AromaticContact CD2-CG 3.82Å; F233-H315 HydrophobicContact CE1-CB 4.34Å; F233-H315 AromaticContact CE1-CD2 3.3Å; F233-H315 WeakPolarHBondContact CE1-CD2 3.29Å; F233-H315 AromaticContact CE1-CG 3.85Å; F233-H315 AromaticContact CE1-NE2 3.79Å; F233-H315 HydrophobicContact CE2-CB 3.69Å; F233-H315 AromaticContact CE2-CG 3.95Å; F233-H315 HydrophobicContact CG-CB 4.27Å; F233-H315 AromaticContact CG-CD2 3.8Å; F233-H315 AromaticContact CG-CE1 3.85Å; F233-H315 AromaticContact CG-CG 3.69Å; F233-H315 AromaticContact CG-ND1 3.72Å; F233-H315 AromaticContact CG-NE2 3.88Å; F233-H315 HydrophobicContact CZ-CB 3.95Å; F233-H315 AromaticContact CZ-CD2 3.8Å; F233-H315 AromaticContact CZ-CG 3.98Å; D262-H315 IonicContact OD1-CE1 3.58Å; D262-H315 IonicContact OD2-CE1 3.46Å; D262-H315 PolarHBondContact OD2-CE1 3.18Å; D262-H315 IonicContact OD2-NE2 3.99Å; H263-H315 PolarHBondContact O-CE1 3.35Å; H263-H315 PolarHBondContact O-ND1 3.36Å; R264-H315 WeakPolarHBondContact O-CB 3.42Å; R264-H315 PolarHBondContact O-ND1 3.44Å; E266-H315 HydrophobicContact CG-CB 3.86Å; E266-H315 PolarHBondContact OE2-N 2.95Å; K311-H315 PolarHBondContact O-NE2 2.68Å; H315-L317 PolarHBondContact O-N 3.19Å
316	D	89.2	Confident	92.8	Very high	153 Å²	153	75.1 Å²	75.1	82%	0.818	40%	0.398	S	S	*	.			trans	-74.9	49.5	179.1	-62.5	-36.9	0	0	0	111.6
317	L	92.9	Very high	91.9	Very high	55 Å²	55	76.4 Å²	76.4	29%	0.288	41%	0.409	S	S	.	.			trans	-120	131.4	-179.6	-63.2	179.7	0	0	0	109.9	F233 R264 I265 H315	F233-L317 HydrophobicContact CD2-CD1 3.78Å; F233-L317 HydrophobicContact CD2-CG 4.39Å; F233-L317 HydrophobicContact CE2-CD1 4.25Å; F233-L317 HydrophobicContact CE2-CG 4.37Å; R264-L317 HydrophobicContact CB-CD1 4.14Å; R264-L317 WeakPolarHBondContact O-CD1 3.45Å; I265-L317 HydrophobicContact CG1-CB 3.95Å; H315-L317 PolarHBondContact O-N 3.19Å
318	T	94.4	Very high	90.1	Very high	115 Å²	115	77.8 Å²	77.8	71%	0.706	43%	0.425	S	S	*	.			trans	-109.2	161	-178.4	59.5	0	0	0	0	111.9	I265	I265-T318 WeakPolarHBondContact CD1-O 3.27Å
319	C	95.5	Very high	88.2	Confident	12 Å²	12	81.1 Å²	81.1	8%	0.081	43%	0.431	C	S	.	.			trans	-65.4	149.8	168.5	-73.5	0	0	0	0	111.5	A274 Y291 T321 M324	A274-C319 HydrophobicContact CB-CB 4.22Å; Y291-C319 HydrophobicContact CE1-CB 4.11Å; Y291-C319 VanDerWaalsContact OH-CA 3.23Å; Y291-C319 WeakPolarHBondContact OH-CA 3.25Å; Y291-C319 WeakPolarHBondContact OH-CB 3.12Å; C319-T321 PolarHBondContact O-N 2.88Å; C319-M324 HydrophobicContact CB-CG 4.48Å; C319-M324 HydrophobicContact CB-SD 3.91Å
320	D	94	Very high	86	Confident	51 Å²	51	83.9 Å²	83.9	27%	0.273	45%	0.445	S	S	.	.			trans	-81.8	101.1	174.9	-177.7	-13.9	0	0	0	108.9	Y291 N322 K323 M324	Y291-D320 HydrophobicContact CE2-CB 4.36Å; Y291-D320 PolarHBondContact OH-N 3.04Å; D320-N322 PolarHBondContact O-N 3.26Å; D320-N322 VanDerWaalsContact O-N 3.17Å; D320-N322 WeakPolarHBondContact OD1-CB 3.26Å; D320-N322 PolarHBondContact OD1-N 3.28Å; D320-N322 VanDerWaalsContact OD1-N 3.16Å; D320-K323 HydrophobicContact CB-CB 4.27Å; D320-K323 HydrophobicContact CB-CD 4.22Å; D320-K323 HydrophobicContact CB-CG 4.35Å; D320-K323 PolarHBondContact O-N 3.02Å; D320-K323 WeakPolarHBondContact OD2-CD 3.34Å; D320-K323 WeakPolarHBondContact OD2-CE 3.04Å; D320-K323 WeakPolarHBondContact OD2-CG 3.43Å; D320-K323 IonicContact OD2-NZ 3.04Å; D320-K323 PolarHBondContact OD2-NZ 3.4Å; D320-M324 WeakPolarHBondContact O-CG 3.43Å; D320-M324 PolarHBondContact O-N 3.04Å
321	T	91.1	Very high	83.8	Confident	95 Å²	95	84.1 Å²	84.1	58%	0.583	46%	0.455	S	S	*	.	H	α-helix	trans	-57.9	-29.8	-175.9	52.6	0	0	0	0	112.9	C319 K323 M324	C319-T321 PolarHBondContact O-N 2.88Å; T321-K323 VanDerWaalsContact C-N 3.27Å; T321-K323 PolarHBondContact O-N 3.5Å; T321-M324 HydrophobicContact CG2-SD 4.33Å
322	N	90.4	Very high	81.6	Confident	134 Å²	134	88.8 Å²	88.8	72%	0.717	47%	0.47	S	S	*	.	H	α-helix	trans	-72.6	-21.3	178.3	-62.2	-52.2	0	0	0	112.9	D320	D320-N322 PolarHBondContact O-N 3.26Å; D320-N322 VanDerWaalsContact O-N 3.17Å; D320-N322 WeakPolarHBondContact OD1-CB 3.26Å; D320-N322 PolarHBondContact OD1-N 3.28Å; D320-N322 VanDerWaalsContact OD1-N 3.16Å
323	K	94.1	Very high	79.5	Confident	115 Å²	115	88 Å²	88	50%	0.5	47%	0.466	S	S	.	.	H	α-helix	trans	-99.1	-12.5	-179.8	-67.7	-179.4	-172.8	151.6	0	113.5	N288 Y291 D320 T321 F325	N288-K323 WeakPolarHBondContact CB-O 3.43Å; N288-K323 PolarHBondContact ND2-O 2.87Å; Y291-K323 WeakPolarHBondContact CB-O 3.27Å; Y291-K323 HydrophobicContact CD2-CB 3.77Å; Y291-K323 HydrophobicContact CD2-CD 4.33Å; Y291-K323 HydrophobicContact CE2-CB 4.14Å; Y291-K323 HydrophobicContact CE2-CD 4.45Å; Y291-K323 HydrophobicContact CG-CB 4.04Å; D320-K323 HydrophobicContact CB-CB 4.27Å; D320-K323 HydrophobicContact CB-CD 4.22Å; D320-K323 HydrophobicContact CB-CG 4.35Å; D320-K323 PolarHBondContact O-N 3.02Å; D320-K323 WeakPolarHBondContact OD2-CD 3.34Å; D320-K323 WeakPolarHBondContact OD2-CE 3.04Å; D320-K323 WeakPolarHBondContact OD2-CG 3.43Å; D320-K323 IonicContact OD2-NZ 3.04Å; D320-K323 PolarHBondContact OD2-NZ 3.4Å; T321-K323 VanDerWaalsContact C-N 3.27Å; T321-K323 PolarHBondContact O-N 3.5Å; K323-F325 VanDerWaalsContact C-N 3.3Å; K323-F325 PolarHBondContact O-N 3.01Å
324	M	94	Very high	77.8	Confident	14 Å²	14	88.6 Å²	88.6	7%	0.069	47%	0.467	C	S	.	.	H	α-helix	trans	-67.8	-28.3	-178.1	-74.5	170.1	63.7	0	0	113.4	A274 A278 N288 Y291 F292 C319 D320 T321	A274-M324 HydrophobicContact CB-CE 3.88Å; A274-M324 HydrophobicContact CB-SD 4.5Å; A274-M324 WeakPolarHBondContact O-CE 3.41Å; A278-M324 HydrophobicContact CB-CE 4.09Å; N288-M324 WeakPolarHBondContact CB-O 3.44Å; N288-M324 PolarHBondContact N-O 3.19Å; Y291-M324 HydrophobicContact CD1-CG 3.98Å; Y291-M324 HydrophobicContact CE1-CG 3.75Å; F292-M324 HydrophobicContact CE2-CB 4.25Å; F292-M324 HydrophobicContact CE2-CG 4.21Å; F292-M324 HydrophobicContact CZ-CB 4.28Å; F292-M324 HydrophobicContact CZ-CE 3.89Å; F292-M324 HydrophobicContact CZ-CG 3.86Å; C319-M324 HydrophobicContact CB-CG 4.48Å; C319-M324 HydrophobicContact CB-SD 3.91Å; D320-M324 WeakPolarHBondContact O-CG 3.43Å; D320-M324 PolarHBondContact O-N 3.04Å; T321-M324 HydrophobicContact CG2-SD 4.33Å
325	F	94.5	Very high	75.9	Confident	67 Å²	67	93.3 Å²	93.3	29%	0.294	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-110.1	152.4	-176.5	-56.7	-76.6	0	0	0	112	A278 H282 I287 K323 T327	A278-F325 HydrophobicContact CB-CE1 3.95Å; A278-F325 HydrophobicContact CB-CZ 4Å; H282-F325 HydrophobicContact CB-CE1 4.39Å; H282-F325 AromaticContact CD2-CE1 3.32Å; H282-F325 WeakPolarHBondContact CD2-CE1 3.36Å; H282-F325 AromaticContact CD2-CZ 3.87Å; H282-F325 AromaticContact CG-CE1 3.8Å; H282-F325 AromaticContact NE2-CE1 3.75Å; I287-F325 HydrophobicContact CD1-CD1 3.78Å; I287-F325 HydrophobicContact CD1-CE1 3.64Å; K323-F325 VanDerWaalsContact C-N 3.3Å; K323-F325 PolarHBondContact O-N 3.01Å; F325-T327 PolarHBondContact O-N 2.92Å
326	R	90.1	Very high	73.8	Confident	130 Å²	130	99.5 Å²	99.5	49%	0.491	51%	0.506	S	S	.	.			trans	-73.6	120.2	175.2	-65.8	-175.3	-172.3	-179	-11.4	109.6	A285 D286 I287 N288	A285-R326 WeakPolarHBondContact O-CD 3.36Å; A285-R326 PolarHBondContact O-NE 3.25Å; A285-R326 PolarHBondContact O-NH1 3.31Å; D286-R326 PolarHBondContact O-N 3.43Å; I287-R326 PolarHBondContact O-NE 3.43Å; N288-R326 HydrophobicContact CB-CG 4.39Å
327	T	79.4	Confident	71.7	Confident	65 Å²	65	97.4 Å²	97.4	40%	0.399	50%	0.495	S	S	.	.			trans	-84.7	155.7	167.2	61.7	0	0	0	0	110.5	F325 K329 N330 A331	F325-T327 PolarHBondContact O-N 2.92Å; T327-K329 PolarHBondContact O-N 3.17Å; T327-K329 VanDerWaalsContact O-N 3.09Å; T327-N330 PolarHBondContact O-N 3.19Å; T327-N330 PolarHBondContact OG1-ND2 3.23Å; T327-A331 PolarHBondContact O-N 3.44Å
328	S	59.1	Low	69.5	Low	105 Å²	105	99.3 Å²	99.3	73%	0.734	51%	0.509	S	S	*	.	H	α-helix	trans	-57.1	-22.4	176.1	40.2	0	0	0	0	113.7
329	K	55.9	Low	67	Low	173 Å²	173	101.1 Å²	101.1	75%	0.752	51%	0.507	S	S	*	.	H	α-helix	trans	-73.8	-39.5	170.4	-75.7	-177.6	176.6	177.6	0	113.1	T327 A331 R332	T327-K329 PolarHBondContact O-N 3.17Å; T327-K329 VanDerWaalsContact O-N 3.09Å; K329-A331 PolarHBondContact O-N 3.02Å; K329-R332 PolarHBondContact O-N 3.43Å
330	N	51.9	Low	64.1	Low	71 Å²	71	102.7 Å²	102.7	38%	0.38	53%	0.526	S	S	.	.	H	α-helix	trans	-71.2	-29.1	179.4	-70.8	-14.3	0	0	0	112.8	T327 R332 K333 A334	T327-N330 PolarHBondContact O-N 3.19Å; T327-N330 PolarHBondContact OG1-ND2 3.23Å; N330-R332 VanDerWaalsContact C-N 3.28Å; N330-R332 PolarHBondContact O-N 3.25Å; N330-K333 PolarHBondContact O-N 2.82Å; N330-A334 PolarHBondContact O-N 2.69Å; N330-A334 VanDerWaalsContact O-N 3.12Å
331	A	49.6	Very low	61.6	Low	49 Å²	49	109 Å²	109	41%	0.405	55%	0.551	S	S	.	*	H	α-helix	trans	-65.4	-27.7	174.4	0	0	0	0	0	113.5	T327 K329 K335	T327-A331 PolarHBondContact O-N 3.44Å; K329-A331 PolarHBondContact O-N 3.02Å; A331-K335 WeakPolarHBondContact O-CG 3.31Å; A331-K335 PolarHBondContact O-N 2.81Å
332	R	44.4	Very low	59.1	Low	193 Å²	193	113.1 Å²	113.1	73%	0.728	56%	0.56	S	S	*	*	H	α-helix	trans	-74.6	-44.8	175.6	-71.2	-175.8	178	-175.3	-0.8	111.7	K329 N330 A334 K335 E336	K329-R332 PolarHBondContact O-N 3.43Å; N330-R332 VanDerWaalsContact C-N 3.28Å; N330-R332 PolarHBondContact O-N 3.25Å; R332-A334 PolarHBondContact O-N 2.76Å; R332-K335 PolarHBondContact O-N 3.16Å; R332-E336 PolarHBondContact O-N 3.37Å
333	K	44.9	Very low	56.6	Low	142 Å²	142	114.8 Å²	114.8	62%	0.617	56%	0.561	S	S	*	*	H	α-helix	trans	-64.2	-41.5	178.9	-146.7	176.6	-173.8	-178.4	0	112.3	N330 K335 E336 D337	N330-K333 PolarHBondContact O-N 2.82Å; K333-K335 VanDerWaalsContact C-N 3.32Å; K333-K335 PolarHBondContact O-N 3.43Å; K333-E336 PolarHBondContact O-N 3.33Å; K333-D337 PolarHBondContact O-N 3.44Å
334	A	50.8	Low	54	Low	58 Å²	58	118 Å²	118	48%	0.479	58%	0.578	S	S	.	*	H	α-helix	trans	-62.6	-35.4	174.7	0	0	0	0	0	113.3	N330 R332 T338	N330-A334 PolarHBondContact O-N 2.69Å; N330-A334 VanDerWaalsContact O-N 3.12Å; R332-A334 PolarHBondContact O-N 2.76Å; A334-T338 PolarHBondContact O-N 3.36Å; A334-T338 PolarHBondContact O-OG1 2.91Å
335	K	47.9	Very low	51.2	Low	155 Å²	155	122.8 Å²	122.8	67%	0.674	61%	0.612	S	S	*	*	H	α-helix	trans	-71.7	-32	174.5	-83.2	-177.5	176.4	-179.5	0	112.9	A331 R332 K333 K339	A331-K335 WeakPolarHBondContact O-CG 3.31Å; A331-K335 PolarHBondContact O-N 2.81Å; R332-K335 PolarHBondContact O-N 3.16Å; K333-K335 VanDerWaalsContact C-N 3.32Å; K333-K335 PolarHBondContact O-N 3.43Å; K335-K339 PolarHBondContact O-N 2.88Å
336	E	45.1	Very low	48.4	Very low	137 Å²	137	129.4 Å²	129.4	64%	0.64	66%	0.658	S	S	*	*	H	α-helix	trans	-70.6	-42.9	174.1	-79.7	174.8	161	0	0	111.6	R332 K333 T338 K339 G340	R332-E336 PolarHBondContact O-N 3.37Å; K333-E336 PolarHBondContact O-N 3.33Å; E336-T338 VanDerWaalsContact C-N 3.29Å; E336-T338 PolarHBondContact O-N 3Å; E336-K339 PolarHBondContact O-N 3.41Å; E336-K339 VanDerWaalsContact O-N 3.09Å; E336-G340 PolarHBondContact O-N 3.23Å
337	D	45.7	Very low	46.3	Very low	110 Å²	110	129.4 Å²	129.4	59%	0.588	67%	0.666	S	S	*	*	H	α-helix	trans	-65.6	-30.5	177.1	-71.5	-25.2	0	0	0	112.7	K333	K333-D337 PolarHBondContact O-N 3.44Å
338	T	47	Very low	44.5	Very low	95 Å²	95	132.8 Å²	132.8	58%	0.583	68%	0.68	S	S	*	*	H	α-helix	trans	-75.4	-30	172.3	4.8	0	0	0	0	113.1	A334 E336	A334-T338 PolarHBondContact O-N 3.36Å; A334-T338 PolarHBondContact O-OG1 2.91Å; E336-T338 VanDerWaalsContact C-N 3.29Å; E336-T338 PolarHBondContact O-N 3Å
339	K	41.8	Very low	43.7	Very low	152 Å²	152	134.3 Å²	134.3	66%	0.661	68%	0.677	S	S	*	*	H	α-helix	trans	-77.3	-34.1	175.5	-83.2	-174.5	175	-176.3	0	112.4	K335 E336 K341 K342	K335-K339 PolarHBondContact O-N 2.88Å; E336-K339 PolarHBondContact O-N 3.41Å; E336-K339 VanDerWaalsContact O-N 3.09Å; K339-K341 VanDerWaalsContact C-N 3.34Å; K339-K341 PolarHBondContact O-N 3.47Å; K339-K342 PolarHBondContact O-N 2.91Å
340	G	34.6	Very low	43	Very low	46 Å²	46	132.1 Å²	132.1	47%	0.474	67%	0.673	S	S	.	*	H	α-helix	trans	-62	-38.8	175.3	0	0	0	0	0	112.9	E336 K342 K343	E336-G340 PolarHBondContact O-N 3.23Å; G340-K342 VanDerWaalsContact C-N 3.32Å; G340-K342 PolarHBondContact O-N 2.92Å; G340-K343 PolarHBondContact O-N 3.35Å
341	K	41.8	Very low	42.4	Very low	183 Å²	183	135.9 Å²	135.9	80%	0.796	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-19.1	177.1	-74.1	-176.9	176.3	179.8	0	114.8	K339	K339-K341 VanDerWaalsContact C-N 3.34Å; K339-K341 PolarHBondContact O-N 3.47Å
342	K	39	Very low	42	Very low	181 Å²	181	141.7 Å²	141.7	79%	0.787	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-13.3	175.5	-80.9	-171.6	174.4	-174.2	0	114.1	K339 G340	K339-K342 PolarHBondContact O-N 2.91Å; G340-K342 VanDerWaalsContact C-N 3.32Å; G340-K342 PolarHBondContact O-N 2.92Å
343	K	37.4	Very low	41.8	Very low	170 Å²	170	138 Å²	138	74%	0.739	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	9.8	-177.8	-75.9	-169.7	173.3	-170.8	0	114.6	G340	G340-K343 PolarHBondContact O-N 3.35Å
344	H	39.2	Very low	41.5	Very low	181 Å²	181	137.7 Å²	137.7	84%	0.838	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	12.5	174.9	-102	37.1	0	0	0	113.8
345	C	35.7	Very low	40.8	Very low	116 Å²	116	144.3 Å²	144.3	78%	0.784	74%	0.736	S	S	*	*			trans	-124.3	80.4	163.2	-82.8	0	0	0	0	108.7
346	T	34.1	Very low	40.1	Very low	206 Å²	206	143.4 Å²	143.4	100%	1.264	74%	0.741	S	S	*	*			trans	-144	0	149.1	43.4	0	0	0	0	106.9

Retrieved 346 of 346 residues in 2436.1 ms (Link to these results)

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