A0A060D7E5_MAIZE Loading...

Acyl-CoA N-acyltransferase (NAT) superfamily protein

AlphaFold DB , UniProt , Accession A0A060D7E5, Species MAIZE (Zea mays, Maize), Gene GNAT4, Length 193 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	33.1	Very low	31.6	Very low	249 Å²	249	151.1 Å²	151.1	100%	1.227	83%	0.826	S	S	*	*				0	96	0	-86.3	173	143.4	0	0	107	A3	M1-A3 PolarHBondContact O-N 3.19Å
2	E	32.1	Very low	33	Very low	196 Å²	196	145.8 Å²	145.8	92%	0.916	80%	0.801	S	S	*	*			trans	-75.7	111.6	177.9	-79.2	176.6	138.4	0	0	109	T4	E2-T4 PolarHBondContact O-N 3.47Å
3	A	29.6	Very low	34.3	Very low	98 Å²	98	142.5 Å²	142.5	81%	0.81	78%	0.778	S	S	*	*			trans	-74.4	104	169.1	0	0	0	0	0	108.1	M1 A5	M1-A3 PolarHBondContact O-N 3.19Å; A3-A5 PolarHBondContact O-N 3.04Å
4	T	27.8	Very low	35.2	Very low	135 Å²	135	145.1 Å²	145.1	83%	0.828	78%	0.779	S	S	*	*			trans	-60.8	100.1	168.4	3.5	0	0	0	0	108.5	E2 T6	E2-T4 PolarHBondContact O-N 3.47Å; T4-T6 PolarHBondContact O-N 2.69Å
5	A	30.3	Very low	36.3	Very low	94 Å²	94	140.3 Å²	140.3	78%	0.777	76%	0.758	S	S	*	*			trans	-70.1	103.1	175.1	0	0	0	0	0	109.3	A3	A3-A5 PolarHBondContact O-N 3.04Å
6	T	26.2	Very low	37.4	Very low	124 Å²	124	141.4 Å²	141.4	76%	0.761	76%	0.757	S	S	*	*			trans	-54.4	133.2	171	-47	0	0	0	0	109.6	T4 R8	T4-T6 PolarHBondContact O-N 2.69Å; T6-R8 PolarHBondContact O-N 2.8Å
7	P	31.3	Very low	37.8	Very low	112 Å²	112	141.3 Å²	141.3	73%	0.727	77%	0.766	S	S	*	*			trans	-62.1	114.9	179.2	23.4	-30.2	0	0	0	109.1	T9	P7-T9 PolarHBondContact O-N 3.23Å; P7-T9 VanDerWaalsContact O-N 3.07Å
8	R	30.6	Very low	38.8	Very low	239 Å²	239	137.6 Å²	137.6	90%	0.902	77%	0.766	S	S	*	*			trans	-60.3	112.8	166.2	-102.6	-176.4	-179.2	176.6	0.5	107	T6 Q10	T6-R8 PolarHBondContact O-N 2.8Å; R8-Q10 PolarHBondContact O-N 2.95Å
9	T	31.4	Very low	40.4	Very low	135 Å²	135	133.2 Å²	133.2	83%	0.828	74%	0.743	S	S	*	*			trans	-53.3	111.3	165.9	-38.2	0	0	0	0	106.9	P7 E11	P7-T9 PolarHBondContact O-N 3.23Å; P7-T9 VanDerWaalsContact O-N 3.07Å; T9-E11 PolarHBondContact O-N 3.37Å; T9-E11 VanDerWaalsContact O-N 3.14Å
10	Q	40.5	Very low	42.1	Very low	91 Å²	91	132.3 Å²	132.3	43%	0.425	74%	0.741	S	S	.	*			trans	-63.7	117.5	170.4	-75	-171.5	-11.9	0	0	106.6	R8 V12 L52	R8-Q10 PolarHBondContact O-N 2.95Å; Q10-V12 PolarHBondContact O-N 3.42Å; Q10-L52 VanDerWaalsContact NE2-CD1 3.34Å
11	E	34.4	Very low	44.1	Very low	189 Å²	189	133.4 Å²	133.4	88%	0.883	74%	0.738	S	S	*	*			trans	-56.8	111.8	165.5	-77.1	-175.1	142.7	0	0	106.9	T9 M13	T9-E11 PolarHBondContact O-N 3.37Å; T9-E11 VanDerWaalsContact O-N 3.14Å; E11-M13 VanDerWaalsContact C-N 3.28Å; E11-M13 PolarHBondContact O-N 3.41Å
12	V	48.9	Very low	46.7	Very low	88 Å²	88	122 Å²	122	53%	0.533	68%	0.682	S	S	.	*			trans	-63.9	99.3	171	178.7	0	0	0	0	105.4	Q10 K14	Q10-V12 PolarHBondContact O-N 3.42Å; V12-K14 PolarHBondContact O-N 3.31Å
13	M	49.3	Very low	49.3	Very low	102 Å²	102	115.9 Å²	115.9	50%	0.502	66%	0.658	S	S	.	*			trans	-57.5	108.4	174.1	-164.3	-166.9	-57.6	0	0	106.8	E11 R112	E11-M13 VanDerWaalsContact C-N 3.28Å; E11-M13 PolarHBondContact O-N 3.41Å; M13-R112 HydrophobicContact CE-CG 4.2Å; M13-R112 VanDerWaalsContact CE-NE 3.27Å
14	K	47.2	Very low	52	Low	180 Å²	180	113.1 Å²	113.1	78%	0.783	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-67.9	132.6	172.7	-70.1	-177	174.7	176.9	0	106.3	V12 E16	V12-K14 PolarHBondContact O-N 3.31Å; K14-E16 PolarHBondContact O-N 3.29Å
15	P	52.3	Low	54.8	Low	73 Å²	73	113.1 Å²	113.1	47%	0.474	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-54.5	141	174.1	22.5	-31	0	0	0	108.9	T19	P15-T19 HydrophobicContact CB-CG2 4.42Å
16	E	52.6	Low	57.8	Low	158 Å²	158	113.1 Å²	113.1	74%	0.738	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-57.4	140.4	176.9	-69.6	-172.6	161.8	0	0	109.5	K14 G18 T19	K14-E16 PolarHBondContact O-N 3.29Å; E16-G18 PolarHBondContact O-N 2.93Å; E16-G18 VanDerWaalsContact O-N 3.13Å; E16-T19 PolarHBondContact N-OG1 3.12Å; E16-T19 WeakPolarHBondContact O-CB 3.43Å; E16-T19 PolarHBondContact O-N 3.1Å; E16-T19 PolarHBondContact O-OG1 3.24Å
17	P	45.1	Very low	61.2	Low	139 Å²	139	107.2 Å²	107.2	90%	0.903	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	122.1	175.4	-21.2	30.5	0	0	0	110.1
18	G	55.7	Low	64.3	Low	75 Å²	75	105.3 Å²	105.3	77%	0.773	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	97.3	3.4	-177.7	0	0	0	0	0	115.6	E16 V20	E16-G18 PolarHBondContact O-N 2.93Å; E16-G18 VanDerWaalsContact O-N 3.13Å; G18-V20 PolarHBondContact O-N 3.37Å
19	T	69.5	Low	67.5	Low	54 Å²	54	96 Å²	96	33%	0.331	53%	0.529	S	S	.	.			trans	-60.8	109.4	173.2	-59.1	0	0	0	0	110.8	P15 E16 K21 R117	P15-T19 HydrophobicContact CB-CG2 4.42Å; E16-T19 PolarHBondContact N-OG1 3.12Å; E16-T19 WeakPolarHBondContact O-CB 3.43Å; E16-T19 PolarHBondContact O-N 3.1Å; E16-T19 PolarHBondContact O-OG1 3.24Å; T19-K21 PolarHBondContact O-N 3.11Å; T19-R117 HydrophobicContact CG2-CB 4.39Å; T19-R117 HydrophobicContact CG2-CG 3.38Å
20	V	75	Confident	70.7	Confident	115 Å²	115	93.5 Å²	93.5	70%	0.697	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-65.3	129.9	176.6	-177.8	0	0	0	0	109.6	G18	G18-V20 PolarHBondContact O-N 3.37Å
21	K	83.9	Confident	73.4	Confident	155 Å²	155	96.2 Å²	96.2	67%	0.674	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-76.9	123.6	179.2	-170.5	-177.8	177.7	-165.8	0	109.3	T19 R117	T19-K21 PolarHBondContact O-N 3.11Å; K21-R117 WeakPolarHBondContact CA-O 3.45Å
22	V	86.9	Confident	76.4	Confident	10 Å²	10	87.6 Å²	87.6	6%	0.061	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-73.1	134	176.2	173.1	0	0	0	0	109.6	E26 V27 L83 R117 V119	V22-E26 WeakPolarHBondContact CA-OE2 3.49Å; V22-E26 HydrophobicContact CG1-CB 3.96Å; V22-V27 HydrophobicContact CG1-CG2 3.74Å; V22-L83 HydrophobicContact CG1-CD2 3.7Å; V22-R117 HydrophobicContact CG2-CB 4.32Å; V22-R117 PolarHBondContact N-O 2.8Å; V22-V119 HydrophobicContact CB-CG2 3.93Å; V22-V119 HydrophobicContact CG1-CG2 4.1Å; V22-V119 HydrophobicContact CG2-CG2 3.75Å
23	T	87.5	Confident	78.7	Confident	68 Å²	68	88.8 Å²	88.8	42%	0.417	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-91.8	168.5	177.8	64.9	0	0	0	0	111.7	D25 E26	T23-D25 PolarHBondContact O-N 3.13Å; T23-E26 PolarHBondContact O-N 3.4Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å
24	V	85.4	Confident	81	Confident	40 Å²	40	87.9 Å²	87.9	24%	0.242	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-38.8	175.8	179.9	0	0	0	0	110.9	E26 V27 A122 K125 R126	V24-E26 VanDerWaalsContact C-N 3.3Å; V24-E26 PolarHBondContact O-N 3.21Å; V24-V27 PolarHBondContact O-N 3.46Å; V24-A122 HydrophobicContact CG2-CB 4.33Å; V24-K125 HydrophobicContact CG2-CB 4.18Å; V24-K125 HydrophobicContact CG2-CD 3.7Å; V24-R126 HydrophobicContact CG1-CG 3.64Å; V24-R126 PolarHBondContact O-NE 3.43Å; V24-R126 PolarHBondContact O-NH2 3.23Å
25	D	87.9	Confident	83.4	Confident	134 Å²	134	83.3 Å²	83.3	72%	0.717	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-30.1	-176.6	-63.7	-38.9	0	0	0	113.5	T23 V27 R126	T23-D25 PolarHBondContact O-N 3.13Å; D25-V27 VanDerWaalsContact C-N 3.33Å; D25-R126 PolarHBondContact O-NH2 3.25Å
26	E	92.3	Very high	85.5	Confident	94 Å²	94	80.4 Å²	80.4	44%	0.439	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.2	178	-71.9	172	-165.9	0	0	113.9	V22 T23 V24	V22-E26 WeakPolarHBondContact CA-OE2 3.49Å; V22-E26 HydrophobicContact CG1-CB 3.96Å; T23-E26 PolarHBondContact O-N 3.4Å; T23-E26 WeakPolarHBondContact OG1-CG 3.43Å; V24-E26 VanDerWaalsContact C-N 3.3Å; V24-E26 PolarHBondContact O-N 3.21Å
27	V	97.1	Very high	87.7	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.4	176.2	175.4	0	0	0	0	109.4	V22 V24 D25 L29 I81 C82 L83 V119 A122 A123 R126	V22-V27 HydrophobicContact CG1-CG2 3.74Å; V24-V27 PolarHBondContact O-N 3.46Å; D25-V27 VanDerWaalsContact C-N 3.33Å; V27-L29 HydrophobicContact CG1-CD2 4.29Å; V27-I81 HydrophobicContact CG1-CG2 3.95Å; V27-C82 WeakPolarHBondContact CA-O 3.42Å; V27-L83 HydrophobicContact CG2-CD2 3.7Å; V27-V119 HydrophobicContact CG2-CG1 4.36Å; V27-A122 HydrophobicContact CB-CB 4.1Å; V27-A122 HydrophobicContact CG2-CB 3.51Å; V27-A123 HydrophobicContact CG1-CB 4.17Å; V27-R126 WeakPolarHBondContact O-CD 3.31Å; V27-R126 PolarHBondContact O-NE 3.46Å; V27-R126 PolarHBondContact O-NH2 2.93Å
28	T	97.7	Very high	90.1	Very high	73 Å²	73	71.6 Å²	71.6	45%	0.448	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.9	167	54.5	0	0	0	0	110	C82	T28-C82 PolarHBondContact N-O 2.72Å; T28-C82 PolarHBondContact O-N 3.05Å; T28-C82 WeakPolarHBondContact OG1-CB 3.45Å
29	L	98.1	Very high	92.1	Very high	44 Å²	44	68.3 Å²	68.3	23%	0.23	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.5	176.9	-58.4	-176.4	0	0	0	108.5	V27 W77 R79 A80 I81 V93 A123 R126	V27-L29 HydrophobicContact CG1-CD2 4.29Å; L29-W77 HydrophobicContact CD1-CH2 3.84Å; L29-W77 HydrophobicContact CD1-CZ2 4.48Å; L29-R79 HydrophobicContact CB-CB 4.1Å; L29-R79 HydrophobicContact CB-CG 4.38Å; L29-A80 WeakPolarHBondContact CA-O 3.41Å; L29-I81 HydrophobicContact CD2-CB 4.44Å; L29-I81 HydrophobicContact CD2-CG1 3.95Å; L29-V93 HydrophobicContact CD1-CG1 4.12Å; L29-V93 HydrophobicContact CD2-CG1 3.82Å; L29-A123 HydrophobicContact CD2-CB 4.29Å; L29-R126 HydrophobicContact CD1-CB 3.85Å; L29-R126 HydrophobicContact CG-CB 4.34Å
30	R	97.5	Very high	93.4	Very high	82 Å²	82	66.2 Å²	66.2	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	164.8	174.6	64	165.1	178.2	77.7	-5.9	111.2	D36 R79 A80 P89	R30-D36 IonicContact CZ-OD1 3.64Å; R30-D36 IonicContact CZ-OD2 3.52Å; R30-D36 IonicContact NH1-OD1 2.74Å; R30-D36 IonicContact NH1-OD2 3.5Å; R30-D36 PolarHBondContact NH1-OD2 3.03Å; R30-D36 IonicContact NH2-OD1 3.38Å; R30-D36 PolarHBondContact NH2-OD1 2.98Å; R30-D36 IonicContact NH2-OD2 2.75Å; R30-D36 PolarHBondContact NH2-OD2 2.88Å; R30-R79 CarbonylContact O-C 3.46Å; R30-R79 WeakPolarHBondContact O-CA 3.33Å; R30-R79 WeakPolarHBondContact O-CB 3.04Å; R30-R79 WeakPolarHBondContact O-CD 3.21Å; R30-A80 HydrophobicContact CG-CB 4.19Å; R30-A80 PolarHBondContact N-O 3.2Å; R30-A80 PolarHBondContact O-N 2.86Å; R30-P89 VanDerWaalsContact NH2-CG 3.29Å
31	K	97.6	Very high	94.5	Very high	147 Å²	147	62.1 Å²	62.1	64%	0.639	32%	0.318	S	S	*	.			trans	-62.8	148.3	168.7	-68.7	-173.7	178.1	-176.7	0	109.9
32	F	98	Very high	95	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.035	31%	0.309	C	S	.	.			trans	-69.7	155.7	170.3	-89.4	-87	0	0	0	110.8	D36 M40 W43 V72 L73 F78 R79 A80 A92	F32-D36 HydrophobicContact CD1-CB 3.74Å; F32-D36 HydrophobicContact CE1-CB 4.14Å; F32-M40 HydrophobicContact CE1-SD 4.46Å; F32-W43 HydrophobicContact CE1-CH2 4.26Å; F32-W43 HydrophobicContact CE1-CZ2 4.32Å; F32-W43 HydrophobicContact CZ-CH2 4.25Å; F32-W43 HydrophobicContact CZ-CZ2 4.07Å; F32-V72 HydrophobicContact CB-CG1 3.64Å; F32-V72 HydrophobicContact CD2-CG1 3.52Å; F32-V72 HydrophobicContact CE2-CG1 4.38Å; F32-V72 HydrophobicContact CG-CG1 3.7Å; F32-L73 HydrophobicContact CB-CD2 4.25Å; F32-L73 WeakPolarHBondContact O-CD2 3.47Å; F32-F78 AromaticContact CD2-CD1 3.84Å; F32-F78 HydrophobicContact CD2-CD1 3.84Å; F32-F78 HydrophobicContact CD2-CE1 4.11Å; F32-F78 AromaticContact CE2-CD1 3.78Å; F32-F78 HydrophobicContact CE2-CD1 3.78Å; F32-F78 AromaticContact CE2-CE1 3.7Å; F32-F78 HydrophobicContact CE2-CE1 3.7Å; F32-R79 WeakPolarHBondContact CE2-O 3.48Å; F32-A80 HydrophobicContact CD1-CB 4.18Å; F32-A80 HydrophobicContact CD2-CB 3.94Å; F32-A80 HydrophobicContact CE1-CB 3.98Å; F32-A80 HydrophobicContact CE2-CB 3.74Å; F32-A80 HydrophobicContact CG-CB 4.15Å; F32-A80 HydrophobicContact CZ-CB 3.74Å; F32-A92 HydrophobicContact CE2-CB 3.75Å; F32-A92 HydrophobicContact CZ-CB 3.8Å
33	E	97.2	Very high	95.5	Very high	113 Å²	113	57.1 Å²	57.1	53%	0.528	31%	0.306	S	S	.	.			trans	-125.2	160.6	168.3	-64.3	177.4	-172.3	0	0	109.4	S35 D36	E33-S35 WeakPolarHBondContact CB-OG 3.42Å; E33-S35 PolarHBondContact O-N 3.04Å; E33-S35 PolarHBondContact OE2-OG 3.45Å; E33-D36 PolarHBondContact N-OD2 2.74Å; E33-D36 VanDerWaalsContact O-CB 3.32Å; E33-D36 WeakPolarHBondContact O-CB 3.44Å; E33-D36 PolarHBondContact O-N 3.41Å
34	L	97.4	Very high	96	Very high	84 Å²	84	54 Å²	54	44%	0.44	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62	-29.7	177.1	-69.5	177.3	0	0	0	112.6	D36 V37 L65 I68 R69 L73	L34-D36 PolarHBondContact O-N 3.42Å; L34-V37 PolarHBondContact O-N 2.88Å; L34-L65 HydrophobicContact CD2-CD2 4.47Å; L34-I68 HydrophobicContact CD2-CB 4.42Å; L34-I68 HydrophobicContact CD2-CG2 4.01Å; L34-R69 HydrophobicContact CD2-CB 4.04Å; L34-L73 HydrophobicContact CD2-CD1 4.01Å; L34-L73 HydrophobicContact CG-CD1 4.13Å
35	S	96.6	Very high	96.6	Very high	84 Å²	84	54.2 Å²	54.2	59%	0.587	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63.5	-17.6	174.5	49.2	0	0	0	0	113.4	E33 V37	E33-S35 WeakPolarHBondContact CB-OG 3.42Å; E33-S35 PolarHBondContact O-N 3.04Å; E33-S35 PolarHBondContact OE2-OG 3.45Å; S35-V37 PolarHBondContact O-N 3.22Å
36	D	97.7	Very high	97	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.059	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-77.3	-0.8	177.7	-66.9	-45	0	0	0	113.2	R30 F32 E33 L34 D38 A39 M40 P89	R30-D36 IonicContact CZ-OD1 3.64Å; R30-D36 IonicContact CZ-OD2 3.52Å; R30-D36 IonicContact NH1-OD1 2.74Å; R30-D36 IonicContact NH1-OD2 3.5Å; R30-D36 PolarHBondContact NH1-OD2 3.03Å; R30-D36 IonicContact NH2-OD1 3.38Å; R30-D36 PolarHBondContact NH2-OD1 2.98Å; R30-D36 IonicContact NH2-OD2 2.75Å; R30-D36 PolarHBondContact NH2-OD2 2.88Å; F32-D36 HydrophobicContact CD1-CB 3.74Å; F32-D36 HydrophobicContact CE1-CB 4.14Å; E33-D36 PolarHBondContact N-OD2 2.74Å; E33-D36 VanDerWaalsContact O-CB 3.32Å; E33-D36 WeakPolarHBondContact O-CB 3.44Å; E33-D36 PolarHBondContact O-N 3.41Å; L34-D36 PolarHBondContact O-N 3.42Å; D36-D38 VanDerWaalsContact C-N 3.3Å; D36-D38 PolarHBondContact O-N 2.79Å; D36-A39 WeakPolarHBondContact O-CB 3.32Å; D36-A39 PolarHBondContact O-N 2.92Å; D36-A39 VanDerWaalsContact O-N 3.07Å; D36-M40 PolarHBondContact O-N 3.26Å; D36-P89 HydrophobicContact CB-CG 4.4Å; D36-P89 WeakPolarHBondContact OD1-CD 3.19Å; D36-P89 WeakPolarHBondContact OD1-CG 3.43Å
37	V	97.8	Very high	97.3	Very high	13 Å²	13	49 Å²	49	8%	0.079	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-43.1	-176.5	66.5	0	0	0	0	112.8	L34 S35 A39 M40 M41 T61 L64 L65 I68	L34-V37 PolarHBondContact O-N 2.88Å; S35-V37 PolarHBondContact O-N 3.22Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 3.38Å; V37-M40 PolarHBondContact O-N 2.81Å; V37-M41 WeakPolarHBondContact O-CB 3.43Å; V37-M41 PolarHBondContact O-N 3.29Å; V37-T61 HydrophobicContact CG2-CG2 4.03Å; V37-L64 HydrophobicContact CG2-CB 4.09Å; V37-L64 HydrophobicContact CG2-CD2 3.99Å; V37-L64 HydrophobicContact CG2-CG 4.06Å; V37-L65 HydrophobicContact CB-CD2 3.72Å; V37-L65 HydrophobicContact CB-CG 4.13Å; V37-L65 HydrophobicContact CG1-CD2 3.87Å; V37-L65 HydrophobicContact CG1-CG 4.31Å; V37-L65 HydrophobicContact CG2-CD2 3.98Å; V37-L65 HydrophobicContact CG2-CG 3.81Å; V37-I68 HydrophobicContact CB-CD1 3.97Å; V37-I68 HydrophobicContact CG2-CD1 4.24Å
38	D	95.6	Very high	97.2	Very high	100 Å²	100	53.4 Å²	53.4	54%	0.535	29%	0.291	S	S	.	.	H	α-helix	trans	-68.3	-34	-178.9	-68.2	-26.1	0	0	0	111.6	D36	D36-D38 VanDerWaalsContact C-N 3.3Å; D36-D38 PolarHBondContact O-N 2.79Å
39	A	96.5	Very high	97.2	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-48.6	172.7	0	0	0	0	0	109.9	D36 V37 M41 A42 W43 R88 P89	D36-A39 WeakPolarHBondContact O-CB 3.32Å; D36-A39 PolarHBondContact O-N 2.92Å; D36-A39 VanDerWaalsContact O-N 3.07Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 3.38Å; A39-M41 VanDerWaalsContact C-N 3.26Å; A39-M41 PolarHBondContact O-N 2.93Å; A39-A42 WeakPolarHBondContact O-CB 3.37Å; A39-A42 PolarHBondContact O-N 2.74Å; A39-A42 VanDerWaalsContact O-N 3.07Å; A39-W43 HydrophobicContact CB-CZ3 4.37Å; A39-W43 WeakPolarHBondContact O-CZ3 3.48Å; A39-R88 HydrophobicContact CB-CB 3.81Å; A39-R88 HydrophobicContact CB-CG 4.37Å; A39-P89 HydrophobicContact CB-CB 4.43Å; A39-P89 HydrophobicContact CB-CG 4.46Å
40	M	98	Very high	97.1	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-62.4	-34.3	179.4	-170.6	166.6	-175.6	0	0	112.7	F32 D36 V37 A42 W43 A44 L64 F67 I68	F32-M40 HydrophobicContact CE1-SD 4.46Å; D36-M40 PolarHBondContact O-N 3.26Å; V37-M40 PolarHBondContact O-N 2.81Å; M40-A42 PolarHBondContact O-N 2.81Å; M40-W43 VanDerWaalsContact CA-CH2 3.42Å; M40-W43 HydrophobicContact CB-CH2 3.93Å; M40-W43 HydrophobicContact CB-CZ2 3.72Å; M40-W43 HydrophobicContact CG-CH2 4.22Å; M40-W43 HydrophobicContact CG-CZ2 3.49Å; M40-W43 VanDerWaalsContact CG-CZ2 3.49Å; M40-W43 PolarHBondContact O-N 3.44Å; M40-W43 HydrophobicContact SD-CZ2 4.42Å; M40-A44 HydrophobicContact CG-CB 4.46Å; M40-A44 WeakPolarHBondContact O-CB 3.47Å; M40-A44 PolarHBondContact O-N 3.38Å; M40-L64 HydrophobicContact CB-CD2 3.94Å; M40-L64 HydrophobicContact CB-CG 4.5Å; M40-L64 HydrophobicContact CE-CD1 3.84Å; M40-L64 HydrophobicContact CG-CD1 3.9Å; M40-L64 HydrophobicContact CG-CD2 3.9Å; M40-L64 HydrophobicContact CG-CG 4.19Å; M40-L64 HydrophobicContact SD-CD1 3.77Å; M40-L64 HydrophobicContact SD-CG 4.28Å; M40-F67 HydrophobicContact CE-CD1 3.71Å; M40-F67 HydrophobicContact CE-CE1 3.51Å; M40-F67 HydrophobicContact SD-CD1 4.46Å; M40-I68 HydrophobicContact CB-CD1 4.48Å; M40-I68 HydrophobicContact SD-CD1 3.93Å; M40-I68 HydrophobicContact SD-CG1 3.74Å
41	M	97.3	Very high	96.9	Very high	30 Å²	30	46.2 Å²	46.2	15%	0.148	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-30.2	176.3	-161.4	63.6	-169.1	0	0	112.3	V37 A39 W43 A44 S45 Y58 T61 L64	V37-M41 WeakPolarHBondContact O-CB 3.43Å; V37-M41 PolarHBondContact O-N 3.29Å; A39-M41 VanDerWaalsContact C-N 3.26Å; A39-M41 PolarHBondContact O-N 2.93Å; M41-W43 PolarHBondContact O-N 3.25Å; M41-A44 PolarHBondContact O-N 3.03Å; M41-S45 WeakPolarHBondContact O-CB 3.42Å; M41-S45 PolarHBondContact O-N 3.37Å; M41-S45 VanDerWaalsContact O-N 3.11Å; M41-S45 PolarHBondContact O-OG 3.34Å; M41-Y58 VanDerWaalsContact CE-O 3.24Å; M41-Y58 WeakPolarHBondContact CE-O 3.38Å; M41-T61 HydrophobicContact CB-CG2 4.33Å; M41-T61 HydrophobicContact CG-CG2 4.1Å; M41-T61 HydrophobicContact SD-CG2 4.24Å; M41-L64 HydrophobicContact CB-CD2 4.06Å; M41-L64 HydrophobicContact SD-CD2 3.76Å
42	A	95.8	Very high	96.6	Very high	59 Å²	59	41.1 Å²	41.1	49%	0.488	24%	0.242	S	C	.	.	H	α-helix	trans	-62.5	-25.1	-179.9	0	0	0	0	0	113.6	A39 M40	A39-A42 WeakPolarHBondContact O-CB 3.37Å; A39-A42 PolarHBondContact O-N 2.74Å; A39-A42 VanDerWaalsContact O-N 3.07Å; M40-A42 PolarHBondContact O-N 2.81Å
43	W	97.5	Very high	96.4	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-113.9	-26.5	174.3	70	80.2	0	0	0	113.4	F32 A39 M40 M41 S45 D46 V49 P89 A92 V109 A111	F32-W43 HydrophobicContact CE1-CH2 4.26Å; F32-W43 HydrophobicContact CE1-CZ2 4.32Å; F32-W43 HydrophobicContact CZ-CH2 4.25Å; F32-W43 HydrophobicContact CZ-CZ2 4.07Å; A39-W43 HydrophobicContact CB-CZ3 4.37Å; A39-W43 WeakPolarHBondContact O-CZ3 3.48Å; M40-W43 VanDerWaalsContact CA-CH2 3.42Å; M40-W43 HydrophobicContact CB-CH2 3.93Å; M40-W43 HydrophobicContact CB-CZ2 3.72Å; M40-W43 HydrophobicContact CG-CH2 4.22Å; M40-W43 HydrophobicContact CG-CZ2 3.49Å; M40-W43 VanDerWaalsContact CG-CZ2 3.49Å; M40-W43 PolarHBondContact O-N 3.44Å; M40-W43 HydrophobicContact SD-CZ2 4.42Å; M41-W43 PolarHBondContact O-N 3.25Å; W43-S45 VanDerWaalsContact C-N 3.3Å; W43-S45 PolarHBondContact O-N 3.3Å; W43-D46 PolarHBondContact O-N 3.16Å; W43-V49 HydrophobicContact CB-CG1 4.15Å; W43-V49 HydrophobicContact CB-CG2 4.33Å; W43-V49 WeakPolarHBondContact O-CB 3.42Å; W43-V49 WeakPolarHBondContact O-CG1 3.32Å; W43-P89 HydrophobicContact CH2-CB 4.14Å; W43-P89 HydrophobicContact CZ3-CB 4.47Å; W43-P89 WeakPolarHBondContact CZ3-O 3.33Å; W43-A92 HydrophobicContact CZ2-CB 4.44Å; W43-V109 HydrophobicContact CG-CG2 4.48Å; W43-A111 HydrophobicContact CB-CB 3.97Å; W43-A111 HydrophobicContact CE3-CB 4.23Å
44	A	97.5	Very high	96.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-28.6	179.2	0	0	0	0	0	112.4	M40 M41 P57 Y58 L64	M40-A44 HydrophobicContact CG-CB 4.46Å; M40-A44 WeakPolarHBondContact O-CB 3.47Å; M40-A44 PolarHBondContact O-N 3.38Å; M41-A44 PolarHBondContact O-N 3.03Å; A44-P57 WeakPolarHBondContact O-CA 3.19Å; A44-Y58 HydrophobicContact CB-CD2 3.79Å; A44-Y58 HydrophobicContact CB-CE2 4.4Å; A44-Y58 HydrophobicContact CB-CG 4.22Å; A44-Y58 PolarHBondContact O-N 3.41Å; A44-L64 HydrophobicContact CB-CD1 4.08Å; A44-L64 HydrophobicContact CB-CD2 3.99Å
45	S	97.2	Very high	95.9	Very high	46 Å²	46	45.8 Å²	45.8	32%	0.322	25%	0.252	S	S	.	.	S	Bend	trans	-90.8	-12.7	176.8	66.8	0	0	0	0	114.4	M41 W43 P47 Y58	M41-S45 WeakPolarHBondContact O-CB 3.42Å; M41-S45 PolarHBondContact O-N 3.37Å; M41-S45 VanDerWaalsContact O-N 3.11Å; M41-S45 PolarHBondContact O-OG 3.34Å; W43-S45 VanDerWaalsContact C-N 3.3Å; W43-S45 PolarHBondContact O-N 3.3Å; S45-P47 VanDerWaalsContact O-CD 3.24Å; S45-P47 WeakPolarHBondContact O-CD 3.47Å; S45-Y58 WeakPolarHBondContact CB-O 3.34Å
46	D	97.6	Very high	95.8	Very high	30 Å²	30	47.3 Å²	47.3	16%	0.16	25%	0.25	C	C	.	.			trans	-77	116.1	-177.2	-175.2	-28	0	0	0	110.2	W43 Q48 V49 A50 R112	W43-D46 PolarHBondContact O-N 3.16Å; D46-Q48 PolarHBondContact O-N 2.71Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.41Å; D46-Q48 PolarHBondContact OD1-N 3.42Å; D46-V49 HydrophobicContact CB-CB 4.05Å; D46-V49 HydrophobicContact CB-CG2 3.72Å; D46-V49 PolarHBondContact O-N 2.89Å; D46-V49 VanDerWaalsContact O-N 3.1Å; D46-A50 PolarHBondContact O-N 2.89Å; D46-R112 WeakPolarHBondContact OD2-CB 3.32Å; D46-R112 WeakPolarHBondContact OD2-CD 3.23Å
47	P	96.7	Very high	95.8	Very high	88 Å²	88	48.8 Å²	48.8	57%	0.571	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-27.5	-179.3	-23.7	35.7	0	0	0	114.1	S45 A51 P57	S45-P47 VanDerWaalsContact O-CD 3.24Å; S45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-A51 WeakPolarHBondContact O-CB 3.33Å; P47-A51 PolarHBondContact O-N 3.04Å; P47-P57 HydrophobicContact CB-CG 4.18Å; P47-P57 HydrophobicContact CG-CG 4.27Å
48	Q	96.7	Very high	95.8	Very high	92 Å²	92	50.5 Å²	50.5	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-74.7	-37	177.3	-58.7	-163.6	18.4	0	0	111.5	D46 A51 R112 W115	D46-Q48 PolarHBondContact O-N 2.71Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.41Å; D46-Q48 PolarHBondContact OD1-N 3.42Å; Q48-A51 WeakPolarHBondContact O-CB 3.08Å; Q48-R112 VanDerWaalsContact NE2-NH1 3.12Å; Q48-R112 VanDerWaalsContact OE1-NH2 3.07Å; Q48-W115 HydrophobicContact CB-CH2 4.32Å
49	V	96.5	Very high	95.8	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-49.8	172.3	179.3	0	0	0	0	109.6	W43 D46 A51 C53 V109 R112 W115	W43-V49 HydrophobicContact CB-CG1 4.15Å; W43-V49 HydrophobicContact CB-CG2 4.33Å; W43-V49 WeakPolarHBondContact O-CB 3.42Å; W43-V49 WeakPolarHBondContact O-CG1 3.32Å; D46-V49 HydrophobicContact CB-CB 4.05Å; D46-V49 HydrophobicContact CB-CG2 3.72Å; D46-V49 PolarHBondContact O-N 2.89Å; D46-V49 VanDerWaalsContact O-N 3.1Å; V49-A51 PolarHBondContact O-N 3.32Å; V49-C53 PolarHBondContact O-SG 3.25Å; V49-V109 HydrophobicContact CG1-CG2 3.32Å; V49-R112 HydrophobicContact CG2-CB 4.11Å; V49-W115 HydrophobicContact CB-CZ2 4.26Å; V49-W115 HydrophobicContact CG2-CH2 4.36Å; V49-W115 HydrophobicContact CG2-CZ2 3.71Å
50	A	95.7	Very high	95.8	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70	-12.3	-177.3	0	0	0	0	0	114.2	D46 L52 C53 P57 K174	D46-A50 PolarHBondContact O-N 2.89Å; A50-L52 PolarHBondContact O-N 3.39Å; A50-L52 VanDerWaalsContact O-N 3.16Å; A50-C53 PolarHBondContact O-N 3.42Å; A50-P57 HydrophobicContact CB-CG 3.87Å; A50-K174 PolarHBondContact O-NZ 2.92Å
51	A	94.3	Very high	95.8	Very high	40 Å²	40	59.1 Å²	59.1	33%	0.331	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.2	-173.8	0	0	0	0	0	113.8	P47 Q48 V49	P47-A51 WeakPolarHBondContact O-CB 3.33Å; P47-A51 PolarHBondContact O-N 3.04Å; Q48-A51 WeakPolarHBondContact O-CB 3.08Å; V49-A51 PolarHBondContact O-N 3.32Å
52	L	91.1	Very high	95.7	Very high	40 Å²	40	65 Å²	65	21%	0.209	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	0.9	-179.7	-66.3	170.7	0	0	0	113.2	Q10 A50 D146 N149 N173	Q10-L52 VanDerWaalsContact NE2-CD1 3.34Å; A50-L52 PolarHBondContact O-N 3.39Å; A50-L52 VanDerWaalsContact O-N 3.16Å; L52-D146 HydrophobicContact CD2-CB 4.28Å; L52-N149 HydrophobicContact CD1-CB 3.72Å; L52-N173 PolarHBondContact O-ND2 2.97Å
53	C	93	Very high	95.8	Very high	23 Å²	23	65.1 Å²	65.1	16%	0.155	33%	0.334	C	S	.	.	S	Bend	trans	-83.3	164.8	174.5	-62.7	0	0	0	0	111.1	V49 A50 W55 N173 K174	V49-C53 PolarHBondContact O-SG 3.25Å; A50-C53 PolarHBondContact O-N 3.42Å; C53-W55 VanDerWaalsContact C-N 3.34Å; C53-W55 HydrophobicContact CB-CD2 3.63Å; C53-W55 HydrophobicContact CB-CE3 3.63Å; C53-W55 HydrophobicContact CB-CG 4.4Å; C53-W55 HydrophobicContact CB-CH2 3.64Å; C53-W55 HydrophobicContact CB-CZ2 3.63Å; C53-W55 HydrophobicContact CB-CZ3 3.64Å; C53-W55 WeakPolarHBondContact SG-CH2 3.32Å; C53-W55 WeakPolarHBondContact SG-CZ2 3.38Å; C53-N173 PolarHBondContact O-ND2 2.65Å; C53-N173 PolarHBondContact O-OD1 3.41Å; C53-K174 WeakPolarHBondContact O-CE 3.35Å
54	R	91.4	Very high	95.7	Very high	206 Å²	206	65 Å²	65	78%	0.777	33%	0.334	S	S	*	.	S	Bend	trans	-75.4	-22.3	178	-69.5	-171.6	-73.2	-162.9	-5.6	113.6	N173	R54-N173 WeakPolarHBondContact CA-OD1 3.28Å
55	W	93.5	Very high	95.7	Very high	74 Å²	74	68 Å²	68	28%	0.28	35%	0.349	S	S	.	.	S	Bend	trans	-91.7	154.4	-178.6	65.3	87.3	0	0	0	111.9	C53 Y58 V109 K174	C53-W55 VanDerWaalsContact C-N 3.34Å; C53-W55 HydrophobicContact CB-CD2 3.63Å; C53-W55 HydrophobicContact CB-CE3 3.63Å; C53-W55 HydrophobicContact CB-CG 4.4Å; C53-W55 HydrophobicContact CB-CH2 3.64Å; C53-W55 HydrophobicContact CB-CZ2 3.63Å; C53-W55 HydrophobicContact CB-CZ3 3.64Å; C53-W55 WeakPolarHBondContact SG-CH2 3.32Å; C53-W55 WeakPolarHBondContact SG-CZ2 3.38Å; W55-Y58 HydrophobicContact CB-CE2 4.07Å; W55-Y58 AromaticContact CD1-CD2 3.89Å; W55-Y58 AromaticContact CD1-CE2 3.73Å; W55-Y58 AromaticContact CG-CE2 3.95Å; W55-Y58 HydrophobicContact CG-CE2 3.95Å; W55-V109 HydrophobicContact CH2-CB 4.09Å; W55-V109 HydrophobicContact CH2-CG1 4.14Å; W55-V109 HydrophobicContact CH2-CG2 4.01Å; W55-V109 HydrophobicContact CZ2-CG2 4.08Å; W55-K174 WeakPolarHBondContact O-CE 3.46Å; W55-K174 PolarHBondContact O-NZ 2.93Å
56	E	95.3	Very high	95.7	Very high	117 Å²	117	67.3 Å²	67.3	55%	0.547	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-82.3	151.1	164.5	-64.5	-58.3	169.2	0	0	111.3	Y58 K174	E56-Y58 PolarHBondContact O-N 3.43Å; E56-K174 VanDerWaalsContact OE1-CD 3.22Å; E56-K174 WeakPolarHBondContact OE1-CD 3.22Å; E56-K174 WeakPolarHBondContact OE1-CE 3.4Å; E56-K174 WeakPolarHBondContact OE1-CG 3.5Å; E56-K174 IonicContact OE1-NZ 2.83Å; E56-K174 WeakPolarHBondContact OE2-CE 3.4Å; E56-K174 IonicContact OE2-NZ 3.52Å; E56-K174 PolarHBondContact OE2-NZ 3.17Å
57	P	97	Very high	95.7	Very high	42 Å²	42	68.5 Å²	68.5	27%	0.273	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-47.2	125.3	176.8	-27	35	0	0	0	111.2	A44 P47 A50	A44-P57 WeakPolarHBondContact O-CA 3.19Å; P47-P57 HydrophobicContact CB-CG 4.18Å; P47-P57 HydrophobicContact CG-CG 4.27Å; A50-P57 HydrophobicContact CB-CG 3.87Å
58	Y	97.3	Very high	95.8	Very high	48 Å²	48	64.3 Å²	64.3	19%	0.188	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-67.6	139.8	177.3	-77.5	-108.9	0	0	0	109.3	M41 A44 S45 W55 E56 P63 L64	M41-Y58 VanDerWaalsContact CE-O 3.24Å; M41-Y58 WeakPolarHBondContact CE-O 3.38Å; A44-Y58 HydrophobicContact CB-CD2 3.79Å; A44-Y58 HydrophobicContact CB-CE2 4.4Å; A44-Y58 HydrophobicContact CB-CG 4.22Å; A44-Y58 PolarHBondContact O-N 3.41Å; S45-Y58 WeakPolarHBondContact CB-O 3.34Å; W55-Y58 HydrophobicContact CB-CE2 4.07Å; W55-Y58 AromaticContact CD1-CD2 3.89Å; W55-Y58 AromaticContact CD1-CE2 3.73Å; W55-Y58 AromaticContact CG-CE2 3.95Å; W55-Y58 HydrophobicContact CG-CE2 3.95Å; E56-Y58 PolarHBondContact O-N 3.43Å; Y58-P63 HydrophobicContact CD1-CB 4.22Å; Y58-P63 HydrophobicContact CD1-CG 3.99Å; Y58-P63 HydrophobicContact CE1-CB 4.1Å; Y58-P63 HydrophobicContact CE1-CG 4.38Å; Y58-L64 HydrophobicContact CD1-CB 3.81Å; Y58-L64 HydrophobicContact CD1-CD1 4.09Å; Y58-L64 HydrophobicContact CD1-CG 4.49Å; Y58-L64 HydrophobicContact CE1-CB 4.01Å; Y58-L64 HydrophobicContact CE1-CD1 3.87Å; Y58-L64 HydrophobicContact CE2-CD1 4.31Å; Y58-L64 HydrophobicContact CG-CD1 4.43Å
59	E	96.4	Very high	95.8	Very high	189 Å²	189	66.2 Å²	66.2	88%	0.883	33%	0.326	S	S	*	.	S	Bend	trans	-100.9	-18.8	178.5	-62.1	-175.4	168.4	0	0	112.4
60	S	96.6	Very high	95.9	Very high	54 Å²	54	70.2 Å²	70.2	38%	0.378	35%	0.347	S	S	.	.	S	Bend	trans	-149.5	162.8	177.8	67.5	0	0	0	0	111.7	P63	S60-P63 WeakPolarHBondContact O-CD 3.38Å; S60-P63 WeakPolarHBondContact O-CG 3.19Å; S60-P63 WeakPolarHBondContact OG-CD 3.41Å
61	T	96.4	Very high	96	Very high	54 Å²	54	73.6 Å²	73.6	33%	0.331	37%	0.368	S	S	.	.	H	α-helix	trans	-76.8	-21.2	-179.5	49.2	0	0	0	0	113.2	V37 M41 L64 L65	V37-T61 HydrophobicContact CG2-CG2 4.03Å; M41-T61 HydrophobicContact CB-CG2 4.33Å; M41-T61 HydrophobicContact CG-CG2 4.1Å; M41-T61 HydrophobicContact SD-CG2 4.24Å; T61-L64 CarbonylContact O-C 3.42Å; T61-L64 WeakPolarHBondContact O-CA 3.28Å; T61-L64 WeakPolarHBondContact O-CB 3.49Å; T61-L64 PolarHBondContact O-N 3.18Å; T61-L64 VanDerWaalsContact O-N 3.15Å; T61-L65 WeakPolarHBondContact O-CG 3.48Å; T61-L65 PolarHBondContact O-N 3.27Å
62	E	96.9	Very high	96.1	Very high	152 Å²	152	71.9 Å²	71.9	71%	0.71	35%	0.353	S	S	*	.	H	α-helix	trans	-59.5	-53.5	-178.9	-177.3	174.4	-164.5	0	0	114	L64 L65 A66	E62-L64 PolarHBondContact O-N 3.26Å; E62-L65 PolarHBondContact O-N 3.27Å; E62-A66 PolarHBondContact O-N 2.86Å; E62-A66 VanDerWaalsContact O-N 3.13Å
63	P	96.7	Very high	96.5	Very high	62 Å²	62	73.6 Å²	73.6	40%	0.403	36%	0.362	S	S	.	.	H	α-helix	trans	-63.2	-28.9	173.6	23.3	-32.3	0	0	0	112.3	Y58 S60 A66 F67	Y58-P63 HydrophobicContact CD1-CB 4.22Å; Y58-P63 HydrophobicContact CD1-CG 3.99Å; Y58-P63 HydrophobicContact CE1-CB 4.1Å; Y58-P63 HydrophobicContact CE1-CG 4.38Å; S60-P63 WeakPolarHBondContact O-CD 3.38Å; S60-P63 WeakPolarHBondContact O-CG 3.19Å; S60-P63 WeakPolarHBondContact OG-CD 3.41Å; P63-A66 PolarHBondContact O-N 3.12Å; P63-F67 PolarHBondContact O-N 2.93Å
64	L	96.2	Very high	96.7	Very high	0 Å²	0	77 Å²	77	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-72.5	-37.7	177.3	-168.2	59.3	0	0	0	112	V37 M40 M41 A44 Y58 T61 E62 A66 F67 I68	V37-L64 HydrophobicContact CG2-CB 4.09Å; V37-L64 HydrophobicContact CG2-CD2 3.99Å; V37-L64 HydrophobicContact CG2-CG 4.06Å; M40-L64 HydrophobicContact CB-CD2 3.94Å; M40-L64 HydrophobicContact CB-CG 4.5Å; M40-L64 HydrophobicContact CE-CD1 3.84Å; M40-L64 HydrophobicContact CG-CD1 3.9Å; M40-L64 HydrophobicContact CG-CD2 3.9Å; M40-L64 HydrophobicContact CG-CG 4.19Å; M40-L64 HydrophobicContact SD-CD1 3.77Å; M40-L64 HydrophobicContact SD-CG 4.28Å; M41-L64 HydrophobicContact CB-CD2 4.06Å; M41-L64 HydrophobicContact SD-CD2 3.76Å; A44-L64 HydrophobicContact CB-CD1 4.08Å; A44-L64 HydrophobicContact CB-CD2 3.99Å; Y58-L64 HydrophobicContact CD1-CB 3.81Å; Y58-L64 HydrophobicContact CD1-CD1 4.09Å; Y58-L64 HydrophobicContact CD1-CG 4.49Å; Y58-L64 HydrophobicContact CE1-CB 4.01Å; Y58-L64 HydrophobicContact CE1-CD1 3.87Å; Y58-L64 HydrophobicContact CE2-CD1 4.31Å; Y58-L64 HydrophobicContact CG-CD1 4.43Å; T61-L64 CarbonylContact O-C 3.42Å; T61-L64 WeakPolarHBondContact O-CA 3.28Å; T61-L64 WeakPolarHBondContact O-CB 3.49Å; T61-L64 PolarHBondContact O-N 3.18Å; T61-L64 VanDerWaalsContact O-N 3.15Å; E62-L64 PolarHBondContact O-N 3.26Å; L64-A66 VanDerWaalsContact C-N 3.34Å; L64-F67 HydrophobicContact CD1-CD1 4.31Å; L64-F67 WeakPolarHBondContact O-CB 3.33Å; L64-F67 PolarHBondContact O-N 3.08Å; L64-I68 HydrophobicContact CG-CD1 4.44Å; L64-I68 VanDerWaalsContact O-CG1 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.25Å; L64-I68 PolarHBondContact O-N 2.88Å
65	L	97.5	Very high	96.9	Very high	62 Å²	62	69 Å²	69	33%	0.325	36%	0.355	S	S	.	.	H	α-helix	trans	-61.5	-43.6	171.9	-80.9	169.5	0	0	0	111.2	L34 V37 T61 E62 F67 I68 R69	L34-L65 HydrophobicContact CD2-CD2 4.47Å; V37-L65 HydrophobicContact CB-CD2 3.72Å; V37-L65 HydrophobicContact CB-CG 4.13Å; V37-L65 HydrophobicContact CG1-CD2 3.87Å; V37-L65 HydrophobicContact CG1-CG 4.31Å; V37-L65 HydrophobicContact CG2-CD2 3.98Å; V37-L65 HydrophobicContact CG2-CG 3.81Å; T61-L65 WeakPolarHBondContact O-CG 3.48Å; T61-L65 PolarHBondContact O-N 3.27Å; E62-L65 PolarHBondContact O-N 3.27Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-I68 PolarHBondContact O-N 3.32Å; L65-R69 WeakPolarHBondContact O-CB 3.32Å; L65-R69 PolarHBondContact O-N 3.49Å
66	A	97.5	Very high	96.9	Very high	33 Å²	33	71.6 Å²	71.6	27%	0.273	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-45.6	174.3	0	0	0	0	0	110.8	E62 P63 L64 I68 R69 D70	E62-A66 PolarHBondContact O-N 2.86Å; E62-A66 VanDerWaalsContact O-N 3.13Å; P63-A66 PolarHBondContact O-N 3.12Å; L64-A66 VanDerWaalsContact C-N 3.34Å; A66-I68 PolarHBondContact O-N 2.71Å; A66-R69 PolarHBondContact O-N 2.85Å; A66-D70 VanDerWaalsContact O-CB 3.28Å; A66-D70 WeakPolarHBondContact O-CB 3.38Å; A66-D70 VanDerWaalsContact O-CG 3.31Å; A66-D70 PolarHBondContact O-N 2.88Å
67	F	97.4	Very high	97	Very high	55 Å²	55	66.3 Å²	66.3	24%	0.241	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-45.1	175.1	178.3	-103	0	0	0	112.6	M40 P63 L64 L65 V71 V72 F78	M40-F67 HydrophobicContact CE-CD1 3.71Å; M40-F67 HydrophobicContact CE-CE1 3.51Å; M40-F67 HydrophobicContact SD-CD1 4.46Å; P63-F67 PolarHBondContact O-N 2.93Å; L64-F67 HydrophobicContact CD1-CD1 4.31Å; L64-F67 WeakPolarHBondContact O-CB 3.33Å; L64-F67 PolarHBondContact O-N 3.08Å; L65-F67 VanDerWaalsContact C-N 3.34Å; F67-V71 HydrophobicContact CD2-CB 3.84Å; F67-V71 HydrophobicContact CD2-CG1 4.32Å; F67-V71 HydrophobicContact CD2-CG2 3.83Å; F67-V71 HydrophobicContact CE2-CB 3.72Å; F67-V71 HydrophobicContact CE2-CG1 3.68Å; F67-V71 HydrophobicContact CE2-CG2 4Å; F67-V71 HydrophobicContact CZ-CB 4.35Å; F67-V71 HydrophobicContact CZ-CG1 4.15Å; F67-V71 WeakPolarHBondContact O-CA 3.33Å; F67-V71 VanDerWaalsContact O-CB 3.31Å; F67-V71 WeakPolarHBondContact O-CB 3.43Å; F67-V71 PolarHBondContact O-N 2.81Å; F67-V72 HydrophobicContact CD1-CG2 3.7Å; F67-V72 HydrophobicContact CE1-CG2 3.31Å; F67-V72 HydrophobicContact CZ-CG2 3.95Å; F67-V72 PolarHBondContact O-N 2.92Å; F67-V72 VanDerWaalsContact O-N 3.11Å; F67-F78 HydrophobicContact CE1-CZ 4.43Å; F67-F78 HydrophobicContact CZ-CE2 4.44Å
68	I	98	Very high	97	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.338	C	S	.	.	I	π-helix	trans	-61.8	-51	177.8	-65.4	166.2	0	0	0	109.8	L34 V37 M40 L64 L65 A66 D70 V72 L73	L34-I68 HydrophobicContact CD2-CB 4.42Å; L34-I68 HydrophobicContact CD2-CG2 4.01Å; V37-I68 HydrophobicContact CB-CD1 3.97Å; V37-I68 HydrophobicContact CG2-CD1 4.24Å; M40-I68 HydrophobicContact CB-CD1 4.48Å; M40-I68 HydrophobicContact SD-CD1 3.93Å; M40-I68 HydrophobicContact SD-CG1 3.74Å; L64-I68 HydrophobicContact CG-CD1 4.44Å; L64-I68 VanDerWaalsContact O-CG1 3.32Å; L64-I68 WeakPolarHBondContact O-CG1 3.25Å; L64-I68 PolarHBondContact O-N 2.88Å; L65-I68 PolarHBondContact O-N 3.32Å; A66-I68 PolarHBondContact O-N 2.71Å; I68-D70 PolarHBondContact O-N 2.89Å; I68-V72 HydrophobicContact CG2-CB 4.4Å; I68-V72 WeakPolarHBondContact O-CB 3.44Å; I68-V72 PolarHBondContact O-N 3.33Å; I68-V72 VanDerWaalsContact O-N 3.17Å; I68-L73 HydrophobicContact CG2-CD1 4.5Å; I68-L73 HydrophobicContact CG2-CD2 4.34Å; I68-L73 HydrophobicContact CG2-CG 4.1Å; I68-L73 WeakPolarHBondContact O-CG 3.45Å; I68-L73 PolarHBondContact O-N 2.89Å
69	R	97.9	Very high	97.1	Very high	131 Å²	131	64.8 Å²	64.8	49%	0.494	34%	0.335	S	S	.	.	I	π-helix	trans	-61.6	-46.5	-177.3	-174.5	-173.8	61.5	-133.4	-10.6	113.1	L34 L65 A66 P74	L34-R69 HydrophobicContact CD2-CB 4.04Å; L65-R69 WeakPolarHBondContact O-CB 3.32Å; L65-R69 PolarHBondContact O-N 3.49Å; A66-R69 PolarHBondContact O-N 2.85Å; R69-P74 VanDerWaalsContact O-CD 3.32Å; R69-P74 WeakPolarHBondContact O-CD 3.41Å
70	D	97.7	Very high	97.2	Very high	93 Å²	93	55.8 Å²	55.8	50%	0.497	29%	0.293	S	S	.	.	I	π-helix	trans	-97.7	-21.3	-164.8	-56.6	-30.3	0	0	0	112.6	A66 I68	A66-D70 VanDerWaalsContact O-CB 3.28Å; A66-D70 WeakPolarHBondContact O-CB 3.38Å; A66-D70 VanDerWaalsContact O-CG 3.31Å; A66-D70 PolarHBondContact O-N 2.88Å; I68-D70 PolarHBondContact O-N 2.89Å
71	V	97.4	Very high	97.3	Very high	70 Å²	70	53.3 Å²	53.3	42%	0.424	28%	0.275	S	S	.	.	I	π-helix	trans	-117.4	-51.3	-179	-174.8	0	0	0	0	111.7	F67 H75	F67-V71 HydrophobicContact CD2-CB 3.84Å; F67-V71 HydrophobicContact CD2-CG1 4.32Å; F67-V71 HydrophobicContact CD2-CG2 3.83Å; F67-V71 HydrophobicContact CE2-CB 3.72Å; F67-V71 HydrophobicContact CE2-CG1 3.68Å; F67-V71 HydrophobicContact CE2-CG2 4Å; F67-V71 HydrophobicContact CZ-CB 4.35Å; F67-V71 HydrophobicContact CZ-CG1 4.15Å; F67-V71 WeakPolarHBondContact O-CA 3.33Å; F67-V71 VanDerWaalsContact O-CB 3.31Å; F67-V71 WeakPolarHBondContact O-CB 3.43Å; F67-V71 PolarHBondContact O-N 2.81Å; V71-H75 WeakPolarHBondContact O-CB 3.33Å; V71-H75 PolarHBondContact O-N 3.48Å
72	V	97.8	Very high	97.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.024	26%	0.264	C	S	.	.	I	π-helix	trans	-73.3	-50	-171.7	179	0	0	0	0	112.3	F32 F67 I68 H75 F78	F32-V72 HydrophobicContact CB-CG1 3.64Å; F32-V72 HydrophobicContact CD2-CG1 3.52Å; F32-V72 HydrophobicContact CE2-CG1 4.38Å; F32-V72 HydrophobicContact CG-CG1 3.7Å; F67-V72 HydrophobicContact CD1-CG2 3.7Å; F67-V72 HydrophobicContact CE1-CG2 3.31Å; F67-V72 HydrophobicContact CZ-CG2 3.95Å; F67-V72 PolarHBondContact O-N 2.92Å; F67-V72 VanDerWaalsContact O-N 3.11Å; I68-V72 HydrophobicContact CG2-CB 4.4Å; I68-V72 WeakPolarHBondContact O-CB 3.44Å; I68-V72 PolarHBondContact O-N 3.33Å; I68-V72 VanDerWaalsContact O-N 3.17Å; V72-H75 WeakPolarHBondContact O-CB 3.36Å; V72-H75 PolarHBondContact O-N 3.3Å; V72-F78 HydrophobicContact CB-CD1 4.48Å; V72-F78 HydrophobicContact CB-CG 4.49Å; V72-F78 HydrophobicContact CG1-CB 4.2Å; V72-F78 HydrophobicContact CG1-CD1 3.54Å; V72-F78 HydrophobicContact CG1-CD2 4.41Å; V72-F78 HydrophobicContact CG1-CE1 3.87Å; V72-F78 HydrophobicContact CG1-CG 3.83Å; V72-F78 HydrophobicContact CG1-CZ 4.48Å; V72-F78 HydrophobicContact CG2-CD1 4.42Å; V72-F78 HydrophobicContact CG2-CD2 4.39Å; V72-F78 HydrophobicContact CG2-CE1 4.05Å; V72-F78 HydrophobicContact CG2-CE2 4.08Å; V72-F78 HydrophobicContact CG2-CZ 3.9Å
73	L	97.6	Very high	97.4	Very high	77 Å²	77	44.5 Å²	44.5	40%	0.403	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-40.5	-176.3	-63.1	-179.2	0	0	0	113.6	F32 L34 I68 H75	F32-L73 HydrophobicContact CB-CD2 4.25Å; F32-L73 WeakPolarHBondContact O-CD2 3.47Å; L34-L73 HydrophobicContact CD2-CD1 4.01Å; L34-L73 HydrophobicContact CG-CD1 4.13Å; I68-L73 HydrophobicContact CG2-CD1 4.5Å; I68-L73 HydrophobicContact CG2-CD2 4.34Å; I68-L73 HydrophobicContact CG2-CG 4.1Å; I68-L73 WeakPolarHBondContact O-CG 3.45Å; I68-L73 PolarHBondContact O-N 2.89Å; L73-H75 PolarHBondContact O-N 2.97Å
74	P	97.3	Very high	97.1	Very high	93 Å²	93	45.4 Å²	45.4	60%	0.604	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.4	176.7	-19.3	35.4	0	0	0	113.2	R69 Q76	R69-P74 VanDerWaalsContact O-CD 3.32Å; R69-P74 WeakPolarHBondContact O-CD 3.41Å; P74-Q76 PolarHBondContact O-N 3.3Å
75	H	96.9	Very high	96.7	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.181	28%	0.282	C	S	.	.			trans	-73.5	123.6	-175.7	-172.5	-70.9	0	0	0	111.9	V71 V72 L73 W77 F78 V95 S96	V71-H75 WeakPolarHBondContact O-CB 3.33Å; V71-H75 PolarHBondContact O-N 3.48Å; V72-H75 WeakPolarHBondContact O-CB 3.36Å; V72-H75 PolarHBondContact O-N 3.3Å; L73-H75 PolarHBondContact O-N 2.97Å; H75-W77 VanDerWaalsContact C-N 3.33Å; H75-W77 VanDerWaalsContact CE1-C 3.5Å; H75-W77 PolarHBondContact CE1-O 3.5Å; H75-W77 PolarHBondContact ND1-N 3.33Å; H75-W77 VanDerWaalsContact ND1-N 3.12Å; H75-W77 PolarHBondContact ND1-O 2.9Å; H75-W77 PolarHBondContact O-N 3.49Å; H75-F78 HydrophobicContact CB-CB 3.89Å; H75-F78 HydrophobicContact CB-CD2 4.42Å; H75-F78 PolarHBondContact ND1-N 3.02Å; H75-V95 PolarHBondContact CE1-O 3.13Å; H75-V95 VanDerWaalsContact CE1-O 3.24Å; H75-S96 PolarHBondContact NE2-OG 3.14Å; H75-S96 VanDerWaalsContact NE2-OG 3.16Å
76	Q	93.7	Very high	96.3	Very high	129 Å²	129	50 Å²	50	60%	0.603	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-49.1	-175.6	175	169.2	-146.8	0	0	112.8	P74 R79	P74-Q76 PolarHBondContact O-N 3.3Å; Q76-R79 PolarHBondContact O-NH1 3.07Å; Q76-R79 PolarHBondContact O-NH2 3.26Å
77	W	96.7	Very high	96	Very high	6 Å²	6	54.2 Å²	54.2	2%	0.023	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	66	-177.1	-143.2	97.1	0	0	0	111.7	L29 H75 R79 V93 S94 V95 T127 V131 E134	L29-W77 HydrophobicContact CD1-CH2 3.84Å; L29-W77 HydrophobicContact CD1-CZ2 4.48Å; H75-W77 VanDerWaalsContact C-N 3.33Å; H75-W77 VanDerWaalsContact CE1-C 3.5Å; H75-W77 PolarHBondContact CE1-O 3.5Å; H75-W77 PolarHBondContact ND1-N 3.33Å; H75-W77 VanDerWaalsContact ND1-N 3.12Å; H75-W77 PolarHBondContact ND1-O 2.9Å; H75-W77 PolarHBondContact O-N 3.49Å; W77-R79 HydrophobicContact CE3-CG 4.41Å; W77-R79 HydrophobicContact CH2-CG 4.22Å; W77-R79 HydrophobicContact CZ2-CG 4.47Å; W77-R79 HydrophobicContact CZ3-CG 4.22Å; W77-V93 HydrophobicContact CH2-CG1 4.23Å; W77-V93 HydrophobicContact CZ3-CG1 3.87Å; W77-V93 HydrophobicContact CZ3-CG2 4.09Å; W77-S94 CarbonylContact O-C 3.5Å; W77-S94 WeakPolarHBondContact O-CA 3.32Å; W77-V95 HydrophobicContact CB-CB 4.09Å; W77-V95 HydrophobicContact CD2-CB 4.01Å; W77-V95 HydrophobicContact CD2-CG2 4.02Å; W77-V95 HydrophobicContact CE3-CB 3.74Å; W77-V95 HydrophobicContact CE3-CG2 3.48Å; W77-V95 VanDerWaalsContact CE3-CG2 3.48Å; W77-V95 HydrophobicContact CG-CB 4.16Å; W77-V95 HydrophobicContact CZ3-CG2 3.86Å; W77-V95 PolarHBondContact O-N 2.88Å; W77-T127 HydrophobicContact CE3-CG2 4.1Å; W77-T127 VanDerWaalsContact CH2-CB 3.44Å; W77-T127 HydrophobicContact CH2-CG2 3.2Å; W77-T127 WeakPolarHBondContact CH2-OG1 3.2Å; W77-T127 HydrophobicContact CZ2-CG2 3.89Å; W77-T127 HydrophobicContact CZ3-CG2 3.29Å; W77-V131 HydrophobicContact CD2-CG2 4.16Å; W77-V131 HydrophobicContact CG-CG2 4.03Å; W77-V131 HydrophobicContact CZ2-CB 4.44Å; W77-E134 PolarHBondContact NE1-OE2 3.47Å
78	F	98.3	Very high	95.8	Very high	25 Å²	25	58.6 Å²	58.6	11%	0.11	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.1	168	-152.7	-60.6	0	0	0	108.2	F32 F67 V72 H75 A92	F32-F78 AromaticContact CD2-CD1 3.84Å; F32-F78 HydrophobicContact CD2-CD1 3.84Å; F32-F78 HydrophobicContact CD2-CE1 4.11Å; F32-F78 AromaticContact CE2-CD1 3.78Å; F32-F78 HydrophobicContact CE2-CD1 3.78Å; F32-F78 AromaticContact CE2-CE1 3.7Å; F32-F78 HydrophobicContact CE2-CE1 3.7Å; F67-F78 HydrophobicContact CE1-CZ 4.43Å; F67-F78 HydrophobicContact CZ-CE2 4.44Å; V72-F78 HydrophobicContact CB-CD1 4.48Å; V72-F78 HydrophobicContact CB-CG 4.49Å; V72-F78 HydrophobicContact CG1-CB 4.2Å; V72-F78 HydrophobicContact CG1-CD1 3.54Å; V72-F78 HydrophobicContact CG1-CD2 4.41Å; V72-F78 HydrophobicContact CG1-CE1 3.87Å; V72-F78 HydrophobicContact CG1-CG 3.83Å; V72-F78 HydrophobicContact CG1-CZ 4.48Å; V72-F78 HydrophobicContact CG2-CD1 4.42Å; V72-F78 HydrophobicContact CG2-CD2 4.39Å; V72-F78 HydrophobicContact CG2-CE1 4.05Å; V72-F78 HydrophobicContact CG2-CE2 4.08Å; V72-F78 HydrophobicContact CG2-CZ 3.9Å; H75-F78 HydrophobicContact CB-CB 3.89Å; H75-F78 HydrophobicContact CB-CD2 4.42Å; H75-F78 PolarHBondContact ND1-N 3.02Å; F78-A92 HydrophobicContact CD1-CB 4.44Å; F78-A92 HydrophobicContact CE1-CB 3.59Å; F78-A92 HydrophobicContact CZ-CB 4.27Å
79	R	98.5	Very high	95.8	Very high	33 Å²	33	59 Å²	59	13%	0.125	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.8	-172.1	-58.2	-65.6	178.5	-90.5	-7.3	111.9	L29 R30 F32 Q76 W77 A92 V93	L29-R79 HydrophobicContact CB-CB 4.1Å; L29-R79 HydrophobicContact CB-CG 4.38Å; R30-R79 CarbonylContact O-C 3.46Å; R30-R79 WeakPolarHBondContact O-CA 3.33Å; R30-R79 WeakPolarHBondContact O-CB 3.04Å; R30-R79 WeakPolarHBondContact O-CD 3.21Å; F32-R79 WeakPolarHBondContact CE2-O 3.48Å; Q76-R79 PolarHBondContact O-NH1 3.07Å; Q76-R79 PolarHBondContact O-NH2 3.26Å; W77-R79 HydrophobicContact CE3-CG 4.41Å; W77-R79 HydrophobicContact CH2-CG 4.22Å; W77-R79 HydrophobicContact CZ2-CG 4.47Å; W77-R79 HydrophobicContact CZ3-CG 4.22Å; R79-A92 WeakPolarHBondContact O-CA 3.04Å; R79-V93 HydrophobicContact CB-CG1 4.08Å; R79-V93 PolarHBondContact N-O 3.42Å; R79-V93 PolarHBondContact O-N 2.81Å
80	A	98.6	Very high	95.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133	165.9	0	0	0	0	0	109.1	L29 R30 F32 P89	L29-A80 WeakPolarHBondContact CA-O 3.41Å; R30-A80 HydrophobicContact CG-CB 4.19Å; R30-A80 PolarHBondContact N-O 3.2Å; R30-A80 PolarHBondContact O-N 2.86Å; F32-A80 HydrophobicContact CD1-CB 4.18Å; F32-A80 HydrophobicContact CD2-CB 3.94Å; F32-A80 HydrophobicContact CE1-CB 3.98Å; F32-A80 HydrophobicContact CE2-CB 3.74Å; F32-A80 HydrophobicContact CG-CB 4.15Å; F32-A80 HydrophobicContact CZ-CB 3.74Å; A80-P89 HydrophobicContact CB-CB 3.92Å; A80-P89 HydrophobicContact CB-CG 3.83Å
81	I	98.7	Very high	95.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.5	171.8	-58.3	171.1	0	0	0	107.3	V27 L29 P89 V90 G91 A92 V93 L110 V119 A123	V27-I81 HydrophobicContact CG1-CG2 3.95Å; L29-I81 HydrophobicContact CD2-CB 4.44Å; L29-I81 HydrophobicContact CD2-CG1 3.95Å; I81-P89 CarbonylContact O-C 3.53Å; I81-P89 WeakPolarHBondContact O-CA 3.4Å; I81-V90 HydrophobicContact CB-CG2 4.37Å; I81-V90 HydrophobicContact CG2-CG2 3.94Å; I81-V90 WeakPolarHBondContact O-CG2 3.33Å; I81-V90 PolarHBondContact O-N 3.33Å; I81-G91 PolarHBondContact N-O 3.07Å; I81-A92 WeakPolarHBondContact CD1-O 3.38Å; I81-V93 HydrophobicContact CD1-CB 4.18Å; I81-V93 HydrophobicContact CD1-CG1 4.46Å; I81-V93 HydrophobicContact CG1-CB 4.3Å; I81-V93 HydrophobicContact CG1-CG1 4.06Å; I81-L110 HydrophobicContact CB-CD2 4.46Å; I81-L110 HydrophobicContact CD1-CD2 3.74Å; I81-L110 HydrophobicContact CG2-CD2 4.23Å; I81-V119 HydrophobicContact CG2-CG1 3.93Å; I81-A123 HydrophobicContact CD1-CB 3.65Å; I81-A123 HydrophobicContact CG1-CB 3.91Å; I81-A123 HydrophobicContact CG2-CB 4.04Å
82	C	98.3	Very high	95.9	Very high	16 Å²	16	45.3 Å²	45.3	11%	0.108	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	147.2	-178.5	-62.4	0	0	0	0	110.6	V27 T28	V27-C82 WeakPolarHBondContact CA-O 3.42Å; T28-C82 PolarHBondContact N-O 2.72Å; T28-C82 PolarHBondContact O-N 3.05Å; T28-C82 WeakPolarHBondContact OG1-CB 3.45Å
83	L	96.2	Very high	96	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.1	170.7	-64.4	175.8	0	0	0	108.3	V22 V27 S85 E86 V90 V119	V22-L83 HydrophobicContact CG1-CD2 3.7Å; V27-L83 HydrophobicContact CG2-CD2 3.7Å; L83-S85 PolarHBondContact O-N 2.85Å; L83-S85 VanDerWaalsContact O-N 3.1Å; L83-E86 HydrophobicContact CB-CB 4.21Å; L83-E86 HydrophobicContact CB-CG 3.95Å; L83-E86 HydrophobicContact CD1-CG 4.19Å; L83-E86 PolarHBondContact O-N 3.03Å; L83-E86 VanDerWaalsContact O-O 3.08Å; L83-V90 HydrophobicContact CD1-CG1 4.2Å; L83-V90 HydrophobicContact CD1-CG2 4.16Å; L83-V90 HydrophobicContact CG-CG1 4.4Å; L83-V90 HydrophobicContact CG-CG2 4.03Å; L83-V119 HydrophobicContact CD1-CG2 3.98Å; L83-V119 HydrophobicContact CD2-CG1 4.22Å; L83-V119 HydrophobicContact CD2-CG2 4.22Å
84	G	90.4	Very high	96	Very high	81 Å²	81	42.3 Å²	42.3	84%	0.835	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	176.6	0	0	0	0	0	113.8	E86	G84-E86 VanDerWaalsContact C-N 3.31Å
85	S	87.7	Confident	96.1	Very high	87 Å²	87	38.2 Å²	38.2	61%	0.608	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-7	175.2	65.2	0	0	0	0	114.3	L83	L83-S85 PolarHBondContact O-N 2.85Å; L83-S85 VanDerWaalsContact O-N 3.1Å
86	E	91.2	Very high	96.1	Very high	72 Å²	72	38 Å²	38	34%	0.336	22%	0.22	S	C	.	.			trans	-121.4	134.9	-173	-62.5	-67.3	166.8	0	0	110.7	L83 G84 R88 V90 H114	L83-E86 HydrophobicContact CB-CB 4.21Å; L83-E86 HydrophobicContact CB-CG 3.95Å; L83-E86 HydrophobicContact CD1-CG 4.19Å; L83-E86 PolarHBondContact O-N 3.03Å; L83-E86 VanDerWaalsContact O-O 3.08Å; G84-E86 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 2.91Å; E86-V90 HydrophobicContact CB-CG1 3.94Å; E86-V90 HydrophobicContact CG-CG1 3.72Å; E86-H114 IonicContact OE1-CE1 3.62Å; E86-H114 PolarHBondContact OE1-CE1 3.12Å
87	P	89.7	Confident	96.2	Very high	120 Å²	120	36.9 Å²	36.9	78%	0.779	22%	0.224	S	C	*	.	S	Bend	trans	-73.7	-14.4	-179.2	30.5	-35.7	0	0	0	113
88	R	94.5	Very high	96.2	Very high	147 Å²	147	38.4 Å²	38.4	56%	0.555	23%	0.234	S	C	*	.	S	Bend	trans	-134.6	156.1	-170.8	-70.6	-178	-65.3	-175.7	0.1	110.4	A39 E86	A39-R88 HydrophobicContact CB-CB 3.81Å; A39-R88 HydrophobicContact CB-CG 4.37Å; E86-R88 PolarHBondContact O-N 2.91Å
89	P	98	Very high	95.9	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	28%	0.275	C	S	.	.			trans	-51.3	142.2	169.8	-28.1	36.5	0	0	0	112.1	R30 D36 A39 W43 A80 I81	R30-P89 VanDerWaalsContact NH2-CG 3.29Å; D36-P89 HydrophobicContact CB-CG 4.4Å; D36-P89 WeakPolarHBondContact OD1-CD 3.19Å; D36-P89 WeakPolarHBondContact OD1-CG 3.43Å; A39-P89 HydrophobicContact CB-CB 4.43Å; A39-P89 HydrophobicContact CB-CG 4.46Å; W43-P89 HydrophobicContact CH2-CB 4.14Å; W43-P89 HydrophobicContact CZ3-CB 4.47Å; W43-P89 WeakPolarHBondContact CZ3-O 3.33Å; A80-P89 HydrophobicContact CB-CB 3.92Å; A80-P89 HydrophobicContact CB-CG 3.83Å; I81-P89 CarbonylContact O-C 3.53Å; I81-P89 WeakPolarHBondContact O-CA 3.4Å
90	V	98	Very high	95.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	28%	0.283	C	S	.	.			trans	-106.2	1.9	-180	-60	0	0	0	0	112.6	I81 L83 E86 L110 A111 H114 V119	I81-V90 HydrophobicContact CB-CG2 4.37Å; I81-V90 HydrophobicContact CG2-CG2 3.94Å; I81-V90 WeakPolarHBondContact O-CG2 3.33Å; I81-V90 PolarHBondContact O-N 3.33Å; L83-V90 HydrophobicContact CD1-CG1 4.2Å; L83-V90 HydrophobicContact CD1-CG2 4.16Å; L83-V90 HydrophobicContact CG-CG1 4.4Å; L83-V90 HydrophobicContact CG-CG2 4.03Å; E86-V90 HydrophobicContact CB-CG1 3.94Å; E86-V90 HydrophobicContact CG-CG1 3.72Å; V90-L110 HydrophobicContact CG2-CD2 4.18Å; V90-L110 WeakPolarHBondContact O-CA 3.48Å; V90-A111 PolarHBondContact O-N 3.31Å; V90-H114 VanDerWaalsContact CG1-CE1 3.41Å; V90-H114 WeakPolarHBondContact CG1-CE1 3.48Å; V90-H114 WeakPolarHBondContact CG1-NE2 3.3Å; V90-V119 HydrophobicContact CG2-CG1 4.11Å
91	G	98.4	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	-163.7	179	0	0	0	0	0	112.4	I81 V109	I81-G91 PolarHBondContact N-O 3.07Å; G91-V109 CarbonylContact C-O 3.57Å; G91-V109 WeakPolarHBondContact CA-O 3.11Å
92	A	98.6	Very high	95.5	Very high	3 Å²	3	50.2 Å²	50.2	3%	0.025	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.5	-178.1	0	0	0	0	0	112	F32 W43 F78 R79 I81 Y108 V109	F32-A92 HydrophobicContact CE2-CB 3.75Å; F32-A92 HydrophobicContact CZ-CB 3.8Å; W43-A92 HydrophobicContact CZ2-CB 4.44Å; F78-A92 HydrophobicContact CD1-CB 4.44Å; F78-A92 HydrophobicContact CE1-CB 3.59Å; F78-A92 HydrophobicContact CZ-CB 4.27Å; R79-A92 WeakPolarHBondContact O-CA 3.04Å; I81-A92 WeakPolarHBondContact CD1-O 3.38Å; A92-Y108 CarbonylContact O-C 3.54Å; A92-Y108 WeakPolarHBondContact O-CA 3.39Å; A92-Y108 WeakPolarHBondContact O-CB 3.27Å; A92-V109 HydrophobicContact CB-CG1 3.93Å; A92-V109 PolarHBondContact N-O 2.72Å; A92-V109 PolarHBondContact O-N 3.01Å
93	V	98.7	Very high	95.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.2	168.1	60.9	0	0	0	0	109.4	L29 W77 R79 I81 L106 G107 T127	L29-V93 HydrophobicContact CD1-CG1 4.12Å; L29-V93 HydrophobicContact CD2-CG1 3.82Å; W77-V93 HydrophobicContact CH2-CG1 4.23Å; W77-V93 HydrophobicContact CZ3-CG1 3.87Å; W77-V93 HydrophobicContact CZ3-CG2 4.09Å; R79-V93 HydrophobicContact CB-CG1 4.08Å; R79-V93 PolarHBondContact N-O 3.42Å; R79-V93 PolarHBondContact O-N 2.81Å; I81-V93 HydrophobicContact CD1-CB 4.18Å; I81-V93 HydrophobicContact CD1-CG1 4.46Å; I81-V93 HydrophobicContact CG1-CB 4.3Å; I81-V93 HydrophobicContact CG1-CG1 4.06Å; V93-L106 HydrophobicContact CG2-CD1 3.6Å; V93-G107 CarbonylContact C-O 3.42Å; V93-G107 WeakPolarHBondContact CA-O 3.44Å; V93-T127 HydrophobicContact CG2-CG2 4.24Å; V93-T127 WeakPolarHBondContact CG2-OG1 3.28Å
94	S	98.5	Very high	95.5	Very high	18 Å²	18	53.7 Å²	53.7	13%	0.126	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.4	-178.8	61.5	0	0	0	0	111	W77 L106 G107	W77-S94 CarbonylContact O-C 3.5Å; W77-S94 WeakPolarHBondContact O-CA 3.32Å; S94-L106 WeakPolarHBondContact O-CA 3.34Å; S94-G107 PolarHBondContact N-O 2.98Å; S94-G107 PolarHBondContact O-N 3.29Å; S94-G107 PolarHBondContact OG-O 3.03Å
95	V	98.4	Very high	95.9	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	100.7	171.5	177.3	0	0	0	0	107.5	H75 W77 A104 E105 L106 T127 V131	H75-V95 PolarHBondContact CE1-O 3.13Å; H75-V95 VanDerWaalsContact CE1-O 3.24Å; W77-V95 HydrophobicContact CB-CB 4.09Å; W77-V95 HydrophobicContact CD2-CB 4.01Å; W77-V95 HydrophobicContact CD2-CG2 4.02Å; W77-V95 HydrophobicContact CE3-CB 3.74Å; W77-V95 HydrophobicContact CE3-CG2 3.48Å; W77-V95 VanDerWaalsContact CE3-CG2 3.48Å; W77-V95 HydrophobicContact CG-CB 4.16Å; W77-V95 HydrophobicContact CZ3-CG2 3.86Å; W77-V95 PolarHBondContact O-N 2.88Å; V95-A104 HydrophobicContact CG1-CB 3.29Å; V95-E105 CarbonylContact C-O 3.52Å; V95-E105 WeakPolarHBondContact CA-O 3.39Å; V95-L106 HydrophobicContact CG2-CD1 3.9Å; V95-T127 HydrophobicContact CG2-CG2 3.41Å; V95-T127 VanDerWaalsContact CG2-CG2 3.41Å; V95-V131 HydrophobicContact CB-CG2 4.08Å; V95-V131 HydrophobicContact CG1-CG2 3.85Å; V95-V131 HydrophobicContact CG2-CG2 4.19Å
96	S	97.5	Very high	96.4	Very high	34 Å²	34	48.7 Å²	48.7	24%	0.238	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.6	-173.8	-56.8	0	0	0	0	110.5	H75 A104 E105	H75-S96 PolarHBondContact NE2-OG 3.14Å; H75-S96 VanDerWaalsContact NE2-OG 3.16Å; S96-A104 CarbonylContact O-C 3.55Å; S96-A104 WeakPolarHBondContact O-CA 3.16Å; S96-A104 WeakPolarHBondContact O-CB 3.37Å; S96-E105 PolarHBondContact N-O 3.4Å; S96-E105 PolarHBondContact O-N 2.88Å
97	P	95.7	Very high	96.8	Very high	106 Å²	106	46.6 Å²	46.6	69%	0.688	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	146	174.1	27.8	-34.6	0	0	0	111
98	T	95.5	Very high	97.2	Very high	38 Å²	38	43.3 Å²	43.3	23%	0.233	26%	0.26	C	S	.	.			trans	-93.9	-170.9	169.4	72.8	0	0	0	0	110.7	D100 R103 E105	T98-D100 PolarHBondContact O-N 3.28Å; T98-D100 PolarHBondContact OG1-N 3.06Å; T98-D100 VanDerWaalsContact OG1-N 3.1Å; T98-D100 PolarHBondContact OG1-O 2.98Å; T98-D100 VanDerWaalsContact OG1-O 3.07Å; T98-R103 HydrophobicContact CG2-CB 4.15Å; T98-R103 WeakPolarHBondContact CG2-O 3.46Å; T98-R103 PolarHBondContact N-O 2.87Å; T98-R103 VanDerWaalsContact N-O 3.15Å; T98-R103 WeakPolarHBondContact OG1-CB 3.21Å; T98-R103 PolarHBondContact OG1-O 3.39Å; T98-E105 HydrophobicContact CG2-CB 4.33Å
99	G	93.4	Very high	97.4	Very high	93 Å²	93	37.2 Å²	37.2	96%	0.959	24%	0.238	S	C	*	.	S	Bend	trans	-67.4	-4.3	169.4	0	0	0	0	0	114.3
100	D	96.2	Very high	97.4	Very high	54 Å²	54	37.3 Å²	37.3	29%	0.289	24%	0.239	S	C	.	.	S	Bend	trans	-125.1	125.1	-176.9	-159.6	-42.8	0	0	0	109.8	T98 C102 R103	T98-D100 PolarHBondContact O-N 3.28Å; T98-D100 PolarHBondContact OG1-N 3.06Å; T98-D100 VanDerWaalsContact OG1-N 3.1Å; T98-D100 PolarHBondContact OG1-O 2.98Å; T98-D100 VanDerWaalsContact OG1-O 3.07Å; D100-C102 PolarHBondContact O-N 3.1Å; D100-C102 PolarHBondContact OD1-N 3.2Å; D100-C102 PolarHBondContact OD1-SG 2.84Å; D100-R103 HydrophobicContact CB-CB 4.46Å; D100-R103 HydrophobicContact CB-CG 4.35Å; D100-R103 VanDerWaalsContact CB-NE 3.27Å; D100-R103 VanDerWaalsContact CB-NH2 3.29Å; D100-R103 PolarHBondContact O-N 3.02Å; D100-R103 IonicContact OD2-CZ 3.27Å; D100-R103 IonicContact OD2-NE 3.8Å; D100-R103 PolarHBondContact OD2-NE 2.83Å; D100-R103 IonicContact OD2-NH2 2.78Å; D100-R103 PolarHBondContact OD2-NH2 3.24Å
101	P	93.2	Very high	97.3	Very high	117 Å²	117	37.6 Å²	37.6	76%	0.76	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.5	-173.4	24.9	-35.6	0	0	0	113.6	R103	P101-R103 PolarHBondContact O-N 2.97Å
102	C	96.8	Very high	97.2	Very high	44 Å²	44	42 Å²	42	30%	0.297	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2	178.7	74.3	0	0	0	0	113.7	D100 G137 E139 R140	D100-C102 PolarHBondContact O-N 3.1Å; D100-C102 PolarHBondContact OD1-N 3.2Å; D100-C102 PolarHBondContact OD1-SG 2.84Å; C102-G137 WeakPolarHBondContact CA-O 3.48Å; C102-E139 HydrophobicContact CB-CB 4.09Å; C102-E139 HydrophobicContact CB-CG 3.93Å; C102-E139 PolarHBondContact O-N 2.83Å; C102-R140 PolarHBondContact O-N 3.16Å
103	R	97.7	Very high	97	Very high	89 Å²	89	45.6 Å²	45.6	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.7	-175.2	-52.7	-175.6	-83.9	171.1	-12.1	112.7	T98 D100 P101 R140	T98-R103 HydrophobicContact CG2-CB 4.15Å; T98-R103 WeakPolarHBondContact CG2-O 3.46Å; T98-R103 PolarHBondContact N-O 2.87Å; T98-R103 VanDerWaalsContact N-O 3.15Å; T98-R103 WeakPolarHBondContact OG1-CB 3.21Å; T98-R103 PolarHBondContact OG1-O 3.39Å; D100-R103 HydrophobicContact CB-CB 4.46Å; D100-R103 HydrophobicContact CB-CG 4.35Å; D100-R103 VanDerWaalsContact CB-NE 3.27Å; D100-R103 VanDerWaalsContact CB-NH2 3.29Å; D100-R103 PolarHBondContact O-N 3.02Å; D100-R103 IonicContact OD2-CZ 3.27Å; D100-R103 IonicContact OD2-NE 3.8Å; D100-R103 PolarHBondContact OD2-NE 2.83Å; D100-R103 IonicContact OD2-NH2 2.78Å; D100-R103 PolarHBondContact OD2-NH2 3.24Å; P101-R103 PolarHBondContact O-N 2.97Å; R103-R140 WeakPolarHBondContact CA-O 3.33Å; R103-R140 HydrophobicContact CG-CB 4.11Å; R103-R140 HydrophobicContact CG-CG 4.43Å
104	A	98.2	Very high	96.9	Very high	5 Å²	5	46.3 Å²	46.3	4%	0.041	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.6	171.4	0	0	0	0	0	111.8	V95 S96 L138 R140 V141 E142	V95-A104 HydrophobicContact CG1-CB 3.29Å; S96-A104 CarbonylContact O-C 3.55Å; S96-A104 WeakPolarHBondContact O-CA 3.16Å; S96-A104 WeakPolarHBondContact O-CB 3.37Å; A104-L138 HydrophobicContact CB-CD1 3.62Å; A104-R140 PolarHBondContact N-O 2.74Å; A104-V141 CarbonylContact O-C 3.52Å; A104-V141 WeakPolarHBondContact O-CA 3.36Å; A104-E142 PolarHBondContact O-N 2.84Å
105	E	98.3	Very high	96.7	Very high	58 Å²	58	50 Å²	50	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.5	177.5	-172.3	-176.9	127.4	0	0	110.7	V95 S96 T98 E142	V95-E105 CarbonylContact C-O 3.52Å; V95-E105 WeakPolarHBondContact CA-O 3.39Å; S96-E105 PolarHBondContact N-O 3.4Å; S96-E105 PolarHBondContact O-N 2.88Å; T98-E105 HydrophobicContact CG2-CB 4.33Å; E105-E142 CarbonylContact C-O 3.53Å; E105-E142 WeakPolarHBondContact CA-O 3.4Å
106	L	98.7	Very high	96.5	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.5	171.9	176.9	72	0	0	0	110.7	V93 S94 V95 Y108 V124 T127 V141 E142 A143 L156 F161	V93-L106 HydrophobicContact CG2-CD1 3.6Å; S94-L106 WeakPolarHBondContact O-CA 3.34Å; V95-L106 HydrophobicContact CG2-CD1 3.9Å; L106-Y108 HydrophobicContact CD2-CD1 4.33Å; L106-Y108 HydrophobicContact CD2-CE1 4.44Å; L106-Y108 HydrophobicContact CG-CD1 4.28Å; L106-V124 HydrophobicContact CD2-CB 4.5Å; L106-V124 HydrophobicContact CD2-CG1 3.7Å; L106-V124 HydrophobicContact CD2-CG2 4.03Å; L106-T127 HydrophobicContact CD1-CG2 3.71Å; L106-V141 HydrophobicContact CB-CG1 3.65Å; L106-E142 PolarHBondContact N-O 2.78Å; L106-A143 HydrophobicContact CB-CB 4.38Å; L106-L156 HydrophobicContact CD2-CD2 3.88Å; L106-F161 HydrophobicContact CD2-CE1 4.16Å; L106-F161 HydrophobicContact CD2-CE2 4.23Å; L106-F161 HydrophobicContact CD2-CZ 3.6Å
107	G	98.2	Very high	96.4	Very high	27 Å²	27	53.6 Å²	53.6	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.9	167.3	0	0	0	0	0	110.9	V93 S94	V93-G107 CarbonylContact C-O 3.42Å; V93-G107 WeakPolarHBondContact CA-O 3.44Å; S94-G107 PolarHBondContact N-O 2.98Å; S94-G107 PolarHBondContact O-N 3.29Å; S94-G107 PolarHBondContact OG-O 3.03Å
108	Y	98.5	Very high	96.4	Very high	52 Å²	52	49.5 Å²	49.5	20%	0.204	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	156.8	173.8	57.4	-90.6	0	0	0	111.9	A92 L106 A120 V124 S152 V155 L156	A92-Y108 CarbonylContact O-C 3.54Å; A92-Y108 WeakPolarHBondContact O-CA 3.39Å; A92-Y108 WeakPolarHBondContact O-CB 3.27Å; L106-Y108 HydrophobicContact CD2-CD1 4.33Å; L106-Y108 HydrophobicContact CD2-CE1 4.44Å; L106-Y108 HydrophobicContact CG-CD1 4.28Å; Y108-A120 HydrophobicContact CD2-CB 4.13Å; Y108-A120 HydrophobicContact CE2-CB 4.03Å; Y108-V124 HydrophobicContact CD1-CG2 3.69Å; Y108-V124 HydrophobicContact CE1-CG2 3.83Å; Y108-V124 HydrophobicContact CG-CG2 4.24Å; Y108-S152 WeakPolarHBondContact OH-CA 3.42Å; Y108-S152 WeakPolarHBondContact OH-CB 3.41Å; Y108-S152 PolarHBondContact OH-O 2.98Å; Y108-S152 VanDerWaalsContact OH-O 3.11Å; Y108-S152 PolarHBondContact OH-OG 3.19Å; Y108-V155 HydrophobicContact CE1-CG1 4.31Å; Y108-V155 HydrophobicContact CE2-CB 4.48Å; Y108-V155 HydrophobicContact CE2-CG1 4Å; Y108-V155 WeakPolarHBondContact OH-CB 3.32Å; Y108-V155 VanDerWaalsContact OH-CG1 3.31Å; Y108-V155 WeakPolarHBondContact OH-CG1 3.33Å; Y108-L156 HydrophobicContact CE1-CD2 4.17Å
109	V	98.3	Very high	96.5	Very high	18 Å²	18	47.8 Å²	47.8	11%	0.109	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.5	176.7	61.9	0	0	0	0	109.3	W43 V49 W55 G91 A92	W43-V109 HydrophobicContact CG-CG2 4.48Å; V49-V109 HydrophobicContact CG1-CG2 3.32Å; W55-V109 HydrophobicContact CH2-CB 4.09Å; W55-V109 HydrophobicContact CH2-CG1 4.14Å; W55-V109 HydrophobicContact CH2-CG2 4.01Å; W55-V109 HydrophobicContact CZ2-CG2 4.08Å; G91-V109 CarbonylContact C-O 3.57Å; G91-V109 WeakPolarHBondContact CA-O 3.11Å; A92-V109 HydrophobicContact CB-CG1 3.93Å; A92-V109 PolarHBondContact N-O 2.72Å; A92-V109 PolarHBondContact O-N 3.01Å
110	L	98	Very high	96.8	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146	172.7	-71.8	-179.9	0	0	0	110	I81 V90 W115 V119 A120	I81-L110 HydrophobicContact CB-CD2 4.46Å; I81-L110 HydrophobicContact CD1-CD2 3.74Å; I81-L110 HydrophobicContact CG2-CD2 4.23Å; V90-L110 HydrophobicContact CG2-CD2 4.18Å; V90-L110 WeakPolarHBondContact O-CA 3.48Å; L110-W115 PolarHBondContact O-NE1 3.36Å; L110-V119 HydrophobicContact CD1-CB 3.77Å; L110-V119 HydrophobicContact CD1-CG1 3.9Å; L110-V119 HydrophobicContact CD2-CG1 3.75Å; L110-A120 HydrophobicContact CD1-CB 3.65Å; L110-A120 HydrophobicContact CG-CB 4.36Å
111	A	97.2	Very high	96.9	Very high	10 Å²	10	42.2 Å²	42.2	8%	0.083	25%	0.245	C	C	.	.			trans	-54.6	139.2	161.5	0	0	0	0	0	110.4	W43 V90 A113 H114	W43-A111 HydrophobicContact CB-CB 3.97Å; W43-A111 HydrophobicContact CE3-CB 4.23Å; V90-A111 PolarHBondContact O-N 3.31Å; A111-A113 PolarHBondContact O-N 3.42Å; A111-A113 VanDerWaalsContact O-N 3.17Å; A111-H114 PolarHBondContact O-N 3.12Å
112	R	96	Very high	97.1	Very high	91 Å²	91	36.8 Å²	36.8	34%	0.343	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-56.7	-35.4	-172.5	-175.3	177.4	175.2	-150.4	-6.3	113.3	M13 D46 Q48 V49 H114 W115	M13-R112 HydrophobicContact CE-CG 4.2Å; M13-R112 VanDerWaalsContact CE-NE 3.27Å; D46-R112 WeakPolarHBondContact OD2-CB 3.32Å; D46-R112 WeakPolarHBondContact OD2-CD 3.23Å; Q48-R112 VanDerWaalsContact NE2-NH1 3.12Å; Q48-R112 VanDerWaalsContact OE1-NH2 3.07Å; V49-R112 HydrophobicContact CG2-CB 4.11Å; R112-H114 PolarHBondContact O-N 3.33Å; R112-W115 HydrophobicContact CB-CD2 4.47Å; R112-W115 HydrophobicContact CG-CD2 4.21Å; R112-W115 HydrophobicContact CG-CE3 3.97Å; R112-W115 HydrophobicContact CG-CH2 4.5Å; R112-W115 HydrophobicContact CG-CZ3 4.12Å; R112-W115 WeakPolarHBondContact O-CB 3.46Å; R112-W115 PolarHBondContact O-N 3.11Å; R112-W115 VanDerWaalsContact O-N 3.12Å
113	A	94.4	Very high	97.2	Very high	80 Å²	80	34.7 Å²	34.7	66%	0.661	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-59.6	-14.7	176	0	0	0	0	0	114.1	A111	A111-A113 PolarHBondContact O-N 3.42Å; A111-A113 VanDerWaalsContact O-N 3.17Å
114	H	95.6	Very high	97.2	Very high	16 Å²	16	30.4 Å²	30.4	7%	0.074	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-109.2	5.7	-178.5	-55.8	-86	0	0	0	113.6	E86 V90 A111 R112 R117 V119	E86-H114 IonicContact OE1-CE1 3.62Å; E86-H114 PolarHBondContact OE1-CE1 3.12Å; V90-H114 VanDerWaalsContact CG1-CE1 3.41Å; V90-H114 WeakPolarHBondContact CG1-CE1 3.48Å; V90-H114 WeakPolarHBondContact CG1-NE2 3.3Å; A111-H114 PolarHBondContact O-N 3.12Å; R112-H114 PolarHBondContact O-N 3.33Å; H114-R117 PolarHBondContact ND1-NH1 2.96Å; H114-R117 VanDerWaalsContact ND1-NH1 3.16Å; H114-V119 HydrophobicContact CB-CG2 4.38Å
115	W	95.9	Very high	97.2	Very high	95 Å²	95	30.9 Å²	30.9	36%	0.36	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	153.9	176.5	-68.1	3.7	0	0	0	111.8	Q48 V49 L110 R112 R117	Q48-W115 HydrophobicContact CB-CH2 4.32Å; V49-W115 HydrophobicContact CB-CZ2 4.26Å; V49-W115 HydrophobicContact CG2-CH2 4.36Å; V49-W115 HydrophobicContact CG2-CZ2 3.71Å; L110-W115 PolarHBondContact O-NE1 3.36Å; R112-W115 HydrophobicContact CB-CD2 4.47Å; R112-W115 HydrophobicContact CG-CD2 4.21Å; R112-W115 HydrophobicContact CG-CE3 3.97Å; R112-W115 HydrophobicContact CG-CH2 4.5Å; R112-W115 HydrophobicContact CG-CZ3 4.12Å; R112-W115 WeakPolarHBondContact O-CB 3.46Å; R112-W115 PolarHBondContact O-N 3.11Å; R112-W115 VanDerWaalsContact O-N 3.12Å; W115-R117 PolarHBondContact O-N 3.17Å
116	G	94.2	Very high	97.2	Very high	57 Å²	57	32 Å²	32	59%	0.588	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	-5.9	178.1	0	0	0	0	0	115.8
117	R	95.1	Very high	97.1	Very high	58 Å²	58	31.7 Å²	31.7	22%	0.219	18%	0.181	C	C	.	.	S	Bend	trans	-89.1	-6.7	-176	-69.8	172.7	72.4	-175.5	-2.2	115.2	T19 K21 V22 H114 W115 V119	T19-R117 HydrophobicContact CG2-CB 4.39Å; T19-R117 HydrophobicContact CG2-CG 3.38Å; K21-R117 WeakPolarHBondContact CA-O 3.45Å; V22-R117 HydrophobicContact CG2-CB 4.32Å; V22-R117 PolarHBondContact N-O 2.8Å; H114-R117 PolarHBondContact ND1-NH1 2.96Å; H114-R117 VanDerWaalsContact ND1-NH1 3.16Å; W115-R117 PolarHBondContact O-N 3.17Å; R117-V119 VanDerWaalsContact C-N 3.34Å; R117-V119 HydrophobicContact CB-CG2 3.98Å
118	G	95.8	Very high	97.1	Very high	21 Å²	21	30.6 Å²	30.6	22%	0.216	17%	0.169	C	C	.	.	S	Bend	trans	86.3	-2.7	-174.9	0	0	0	0	0	115.1	A120 T121 A122	G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3.45Å; G118-T121 WeakPolarHBondContact O-CB 3.37Å; G118-T121 PolarHBondContact O-N 2.81Å; G118-T121 VanDerWaalsContact O-N 3.14Å; G118-A122 PolarHBondContact O-N 3.06Å
119	V	97.8	Very high	97	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-54.3	-45.5	-179.9	179.6	0	0	0	0	112.3	V22 V27 I81 L83 V90 L110 H114 R117 T121 A122 A123	V22-V119 HydrophobicContact CB-CG2 3.93Å; V22-V119 HydrophobicContact CG1-CG2 4.1Å; V22-V119 HydrophobicContact CG2-CG2 3.75Å; V27-V119 HydrophobicContact CG2-CG1 4.36Å; I81-V119 HydrophobicContact CG2-CG1 3.93Å; L83-V119 HydrophobicContact CD1-CG2 3.98Å; L83-V119 HydrophobicContact CD2-CG1 4.22Å; L83-V119 HydrophobicContact CD2-CG2 4.22Å; V90-V119 HydrophobicContact CG2-CG1 4.11Å; L110-V119 HydrophobicContact CD1-CB 3.77Å; L110-V119 HydrophobicContact CD1-CG1 3.9Å; L110-V119 HydrophobicContact CD2-CG1 3.75Å; H114-V119 HydrophobicContact CB-CG2 4.38Å; R117-V119 VanDerWaalsContact C-N 3.34Å; R117-V119 HydrophobicContact CB-CG2 3.98Å; V119-T121 PolarHBondContact O-N 2.88Å; V119-A122 PolarHBondContact O-N 2.86Å; V119-A123 WeakPolarHBondContact O-CB 3.31Å; V119-A123 PolarHBondContact O-N 3.32Å
120	A	98.1	Very high	96.9	Very high	11 Å²	11	33.6 Å²	33.6	9%	0.091	20%	0.196	C	C	.	.	H	α-helix	trans	-65.4	-42.2	-179.4	0	0	0	0	0	111.3	Y108 L110 G118 A122 A123 V124 V155	Y108-A120 HydrophobicContact CD2-CB 4.13Å; Y108-A120 HydrophobicContact CE2-CB 4.03Å; L110-A120 HydrophobicContact CD1-CB 3.65Å; L110-A120 HydrophobicContact CG-CB 4.36Å; G118-A120 VanDerWaalsContact C-N 3.33Å; G118-A120 PolarHBondContact O-N 3.45Å; A120-A122 VanDerWaalsContact C-N 3.35Å; A120-A122 PolarHBondContact O-N 3.44Å; A120-A123 PolarHBondContact O-N 3.26Å; A120-V124 WeakPolarHBondContact O-CB 3.45Å; A120-V124 VanDerWaalsContact O-CG2 3.27Å; A120-V124 WeakPolarHBondContact O-CG2 3.47Å; A120-V124 PolarHBondContact O-N 2.98Å; A120-V155 HydrophobicContact CB-CG1 3.91Å; A120-V155 HydrophobicContact CB-CG2 3.82Å
121	T	98.2	Very high	96.8	Very high	19 Å²	19	33.1 Å²	33.1	12%	0.117	19%	0.194	C	C	.	.	H	α-helix	trans	-59.9	-46.9	175.1	-60.8	0	0	0	0	110.6	G118 V119 A123 V124 K125 K158 A159	G118-T121 WeakPolarHBondContact O-CB 3.37Å; G118-T121 PolarHBondContact O-N 2.81Å; G118-T121 VanDerWaalsContact O-N 3.14Å; V119-T121 PolarHBondContact O-N 2.88Å; T121-A123 PolarHBondContact O-N 3.14Å; T121-V124 PolarHBondContact O-N 3.13Å; T121-K125 HydrophobicContact CG2-CD 4.42Å; T121-K125 HydrophobicContact CG2-CG 4.43Å; T121-K125 WeakPolarHBondContact O-CB 3.21Å; T121-K125 WeakPolarHBondContact O-CG 3.23Å; T121-K125 PolarHBondContact O-N 3.49Å; T121-K158 HydrophobicContact CG2-CB 3.73Å; T121-A159 HydrophobicContact CG2-CB 4.47Å
122	A	97.8	Very high	96.8	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-44.3	177.2	0	0	0	0	0	112.6	V24 V27 G118 V119 A120 K125 R126	V24-A122 HydrophobicContact CG2-CB 4.33Å; V27-A122 HydrophobicContact CB-CB 4.1Å; V27-A122 HydrophobicContact CG2-CB 3.51Å; G118-A122 PolarHBondContact O-N 3.06Å; V119-A122 PolarHBondContact O-N 2.86Å; A120-A122 VanDerWaalsContact C-N 3.35Å; A120-A122 PolarHBondContact O-N 3.44Å; A122-K125 PolarHBondContact O-N 2.86Å; A122-R126 PolarHBondContact O-N 2.76Å
123	A	98.4	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.4	-42.8	175.8	0	0	0	0	0	112.5	V27 L29 I81 V119 A120 T121 R126 T127	V27-A123 HydrophobicContact CG1-CB 4.17Å; L29-A123 HydrophobicContact CD2-CB 4.29Å; I81-A123 HydrophobicContact CD1-CB 3.65Å; I81-A123 HydrophobicContact CG1-CB 3.91Å; I81-A123 HydrophobicContact CG2-CB 4.04Å; V119-A123 WeakPolarHBondContact O-CB 3.31Å; V119-A123 PolarHBondContact O-N 3.32Å; A120-A123 PolarHBondContact O-N 3.26Å; T121-A123 PolarHBondContact O-N 3.14Å; A123-R126 PolarHBondContact O-N 3.15Å; A123-T127 WeakPolarHBondContact O-CB 3.37Å; A123-T127 PolarHBondContact O-N 3.12Å; A123-T127 PolarHBondContact O-OG1 2.66Å
124	V	98.6	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-43.7	177.4	173.4	0	0	0	0	111.1	L106 Y108 A120 T121 R126 T127 V128 V155 L156 A159 F161	L106-V124 HydrophobicContact CD2-CB 4.5Å; L106-V124 HydrophobicContact CD2-CG1 3.7Å; L106-V124 HydrophobicContact CD2-CG2 4.03Å; Y108-V124 HydrophobicContact CD1-CG2 3.69Å; Y108-V124 HydrophobicContact CE1-CG2 3.83Å; Y108-V124 HydrophobicContact CG-CG2 4.24Å; A120-V124 WeakPolarHBondContact O-CB 3.45Å; A120-V124 VanDerWaalsContact O-CG2 3.27Å; A120-V124 WeakPolarHBondContact O-CG2 3.47Å; A120-V124 PolarHBondContact O-N 2.98Å; T121-V124 PolarHBondContact O-N 3.13Å; V124-R126 VanDerWaalsContact C-N 3.35Å; V124-R126 PolarHBondContact O-N 2.86Å; V124-T127 WeakPolarHBondContact O-CA 3.41Å; V124-T127 VanDerWaalsContact O-CB 3.28Å; V124-T127 WeakPolarHBondContact O-CB 3.47Å; V124-T127 PolarHBondContact O-N 3.17Å; V124-T127 VanDerWaalsContact O-N 3.08Å; V124-V128 WeakPolarHBondContact O-CG2 3.46Å; V124-V128 PolarHBondContact O-N 3.11Å; V124-V155 HydrophobicContact CG2-CG1 4.07Å; V124-L156 HydrophobicContact CG1-CD2 4.49Å; V124-A159 HydrophobicContact CB-CB 4.08Å; V124-A159 HydrophobicContact CG1-CB 3.57Å; V124-F161 HydrophobicContact CG1-CD2 4.29Å; V124-F161 HydrophobicContact CG1-CE2 3.53Å; V124-F161 HydrophobicContact CG1-CZ 4.2Å
125	K	98.1	Very high	96.6	Very high	15 Å²	15	35.3 Å²	35.3	7%	0.065	22%	0.215	C	C	.	.	H	α-helix	trans	-56.1	-47.4	174.7	-74.4	-171.3	175.8	-170.3	0	111.5	V24 T121 A122 T127 V128 T129 K158 A159 V191 P192 E193	V24-K125 HydrophobicContact CG2-CB 4.18Å; V24-K125 HydrophobicContact CG2-CD 3.7Å; T121-K125 HydrophobicContact CG2-CD 4.42Å; T121-K125 HydrophobicContact CG2-CG 4.43Å; T121-K125 WeakPolarHBondContact O-CB 3.21Å; T121-K125 WeakPolarHBondContact O-CG 3.23Å; T121-K125 PolarHBondContact O-N 3.49Å; A122-K125 PolarHBondContact O-N 2.86Å; K125-T127 VanDerWaalsContact C-N 3.3Å; K125-T127 PolarHBondContact O-N 3.25Å; K125-V128 WeakPolarHBondContact O-CG2 3.49Å; K125-T129 WeakPolarHBondContact O-CB 3.41Å; K125-T129 PolarHBondContact O-N 3.19Å; K125-T129 PolarHBondContact O-OG1 3.48Å; K125-K158 VanDerWaalsContact CE-O 3.25Å; K125-K158 WeakPolarHBondContact CE-O 3.42Å; K125-A159 HydrophobicContact CG-CB 4.07Å; K125-V191 HydrophobicContact CB-CG1 3.75Å; K125-V191 HydrophobicContact CD-CG1 3.77Å; K125-V191 HydrophobicContact CG-CG1 3.57Å; K125-P192 VanDerWaalsContact CE-O 3.22Å; K125-P192 WeakPolarHBondContact CE-O 3.49Å; K125-P192 PolarHBondContact NZ-O 3.21Å; K125-E193 PolarHBondContact NZ-O 3.29Å; K125-E193 PolarHBondContact NZ-OXT 3.35Å
126	R	97.4	Very high	96.5	Very high	81 Å²	81	36.3 Å²	36.3	31%	0.306	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-39.1	174.6	-73.8	-162.7	171.2	-102.5	12.5	112.9	V24 D25 V27 L29 A122 A123 V124 T129 A130	V24-R126 HydrophobicContact CG1-CG 3.64Å; V24-R126 PolarHBondContact O-NE 3.43Å; V24-R126 PolarHBondContact O-NH2 3.23Å; D25-R126 PolarHBondContact O-NH2 3.25Å; V27-R126 WeakPolarHBondContact O-CD 3.31Å; V27-R126 PolarHBondContact O-NE 3.46Å; V27-R126 PolarHBondContact O-NH2 2.93Å; L29-R126 HydrophobicContact CD1-CB 3.85Å; L29-R126 HydrophobicContact CG-CB 4.34Å; A122-R126 PolarHBondContact O-N 2.76Å; A123-R126 PolarHBondContact O-N 3.15Å; V124-R126 VanDerWaalsContact C-N 3.35Å; V124-R126 PolarHBondContact O-N 2.86Å; R126-T129 PolarHBondContact O-N 3.49Å; R126-A130 PolarHBondContact O-N 3.18Å; R126-A130 VanDerWaalsContact O-N 3.13Å
127	T	98.1	Very high	96.5	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.5	-55.7	178.8	-61	0	0	0	0	110.9	W77 V93 V95 L106 A123 V124 K125 T129 A130 V131	W77-T127 HydrophobicContact CE3-CG2 4.1Å; W77-T127 VanDerWaalsContact CH2-CB 3.44Å; W77-T127 HydrophobicContact CH2-CG2 3.2Å; W77-T127 WeakPolarHBondContact CH2-OG1 3.2Å; W77-T127 HydrophobicContact CZ2-CG2 3.89Å; W77-T127 HydrophobicContact CZ3-CG2 3.29Å; V93-T127 HydrophobicContact CG2-CG2 4.24Å; V93-T127 WeakPolarHBondContact CG2-OG1 3.28Å; V95-T127 HydrophobicContact CG2-CG2 3.41Å; V95-T127 VanDerWaalsContact CG2-CG2 3.41Å; L106-T127 HydrophobicContact CD1-CG2 3.71Å; A123-T127 WeakPolarHBondContact O-CB 3.37Å; A123-T127 PolarHBondContact O-N 3.12Å; A123-T127 PolarHBondContact O-OG1 2.66Å; V124-T127 WeakPolarHBondContact O-CA 3.41Å; V124-T127 VanDerWaalsContact O-CB 3.28Å; V124-T127 WeakPolarHBondContact O-CB 3.47Å; V124-T127 PolarHBondContact O-N 3.17Å; V124-T127 VanDerWaalsContact O-N 3.08Å; K125-T127 VanDerWaalsContact C-N 3.3Å; K125-T127 PolarHBondContact O-N 3.25Å; T127-T129 VanDerWaalsContact C-N 3.3Å; T127-T129 PolarHBondContact O-N 3.43Å; T127-A130 PolarHBondContact O-N 3.3Å; T127-V131 VanDerWaalsContact O-CB 3.28Å; T127-V131 WeakPolarHBondContact O-CB 3.5Å; T127-V131 WeakPolarHBondContact O-CG1 3.16Å; T127-V131 PolarHBondContact O-N 3.05Å
128	V	97.5	Very high	96.6	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-67.6	-31.1	-178.6	-62.3	0	0	0	0	112.4	V124 K125 A130 F132 F161 F185 V191	V124-V128 WeakPolarHBondContact O-CG2 3.46Å; V124-V128 PolarHBondContact O-N 3.11Å; K125-V128 WeakPolarHBondContact O-CG2 3.49Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 3.07Å; V128-F132 HydrophobicContact CB-CE2 4.37Å; V128-F132 VanDerWaalsContact O-CD2 3.23Å; V128-F132 WeakPolarHBondContact O-CD2 3.45Å; V128-F161 HydrophobicContact CG1-CE2 3.65Å; V128-F161 HydrophobicContact CG1-CZ 3.64Å; V128-F185 HydrophobicContact CB-CD1 4.08Å; V128-F185 HydrophobicContact CB-CE1 4.1Å; V128-F185 HydrophobicContact CB-CG 4.3Å; V128-F185 HydrophobicContact CB-CZ 4.37Å; V128-F185 HydrophobicContact CG1-CB 4.33Å; V128-F185 HydrophobicContact CG1-CD1 4.28Å; V128-F185 HydrophobicContact CG1-CD2 4.5Å; V128-F185 HydrophobicContact CG1-CG 4.12Å; V128-F185 HydrophobicContact CG2-CD2 4.33Å; V128-F185 HydrophobicContact CG2-CE1 4.22Å; V128-F185 HydrophobicContact CG2-CE2 4.05Å; V128-F185 HydrophobicContact CG2-CZ 3.98Å; V128-V191 HydrophobicContact CG2-CG2 3.7Å
129	T	95.5	Very high	96.7	Very high	101 Å²	101	37.5 Å²	37.5	62%	0.62	24%	0.235	S	C	*	.	H	α-helix	trans	-64.2	-35	175	-55.1	0	0	0	0	112.5	K125 R126 T127	K125-T129 WeakPolarHBondContact O-CB 3.41Å; K125-T129 PolarHBondContact O-N 3.19Å; K125-T129 PolarHBondContact O-OG1 3.48Å; R126-T129 PolarHBondContact O-N 3.49Å; T127-T129 VanDerWaalsContact C-N 3.3Å; T127-T129 PolarHBondContact O-N 3.43Å
130	A	96.1	Very high	96.8	Very high	33 Å²	33	39.2 Å²	39.2	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-91.2	-41.7	-177.1	0	0	0	0	0	112.9	R126 T127 V128 F132 G133 E134	R126-A130 PolarHBondContact O-N 3.18Å; R126-A130 VanDerWaalsContact O-N 3.13Å; T127-A130 PolarHBondContact O-N 3.3Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 3.07Å; A130-F132 PolarHBondContact O-N 3.1Å; A130-G133 PolarHBondContact O-N 2.98Å; A130-G133 VanDerWaalsContact O-N 3.11Å; A130-E134 WeakPolarHBondContact O-CG 3.41Å; A130-E134 PolarHBondContact O-N 3.15Å
131	V	97.2	Very high	96.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-33.3	-160.7	73.9	0	0	0	0	114.2	W77 V95 T127 G133 E134 V135 L138 V141	W77-V131 HydrophobicContact CD2-CG2 4.16Å; W77-V131 HydrophobicContact CG-CG2 4.03Å; W77-V131 HydrophobicContact CZ2-CB 4.44Å; V95-V131 HydrophobicContact CB-CG2 4.08Å; V95-V131 HydrophobicContact CG1-CG2 3.85Å; V95-V131 HydrophobicContact CG2-CG2 4.19Å; T127-V131 VanDerWaalsContact O-CB 3.28Å; T127-V131 WeakPolarHBondContact O-CB 3.5Å; T127-V131 WeakPolarHBondContact O-CG1 3.16Å; T127-V131 PolarHBondContact O-N 3.05Å; V131-G133 VanDerWaalsContact C-N 3.26Å; V131-G133 PolarHBondContact O-N 3.19Å; V131-E134 PolarHBondContact O-N 2.67Å; V131-E134 VanDerWaalsContact O-N 3.12Å; V131-V135 HydrophobicContact CG2-CB 4.42Å; V131-V135 HydrophobicContact CG2-CG2 3.58Å; V131-V135 PolarHBondContact O-N 2.9Å; V131-L138 HydrophobicContact CB-CD2 4.41Å; V131-L138 HydrophobicContact CG1-CD2 3.94Å; V131-L138 HydrophobicContact CG2-CD2 3.87Å; V131-V141 HydrophobicContact CG1-CG2 3.75Å
132	F	96.1	Very high	96.8	Very high	36 Å²	36	38.3 Å²	38.3	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-30.5	176	-70.5	-72.8	0	0	0	112.7	V128 A130 L138 V141 F185 D187	V128-F132 HydrophobicContact CB-CE2 4.37Å; V128-F132 VanDerWaalsContact O-CD2 3.23Å; V128-F132 WeakPolarHBondContact O-CD2 3.45Å; A130-F132 PolarHBondContact O-N 3.1Å; F132-L138 HydrophobicContact CD1-CB 4.37Å; F132-L138 HydrophobicContact CD1-CD2 4.11Å; F132-L138 HydrophobicContact CD1-CG 3.97Å; F132-L138 WeakPolarHBondContact CD1-O 3.5Å; F132-L138 HydrophobicContact CE1-CD2 4.29Å; F132-L138 HydrophobicContact CE1-CG 4.01Å; F132-V141 HydrophobicContact CE1-CG2 4.26Å; F132-V141 HydrophobicContact CE2-CG2 4.11Å; F132-V141 HydrophobicContact CZ-CB 4.35Å; F132-V141 HydrophobicContact CZ-CG2 3.74Å; F132-F185 AromaticContact CE2-CD1 3.55Å; F132-F185 HydrophobicContact CE2-CD1 3.55Å; F132-F185 AromaticContact CE2-CE1 3.87Å; F132-F185 HydrophobicContact CE2-CE1 3.87Å; F132-F185 AromaticContact CZ-CD1 3.96Å; F132-F185 HydrophobicContact CZ-CD1 3.96Å; F132-D187 HydrophobicContact CD1-CB 3.8Å; F132-D187 HydrophobicContact CE1-CB 3.9Å; F132-D187 HydrophobicContact CG-CB 4.27Å; F132-D187 HydrophobicContact CZ-CB 4.47Å
133	G	94.7	Very high	96.8	Very high	79 Å²	79	38.3 Å²	38.3	81%	0.814	23%	0.234	S	C	*	.	H	α-helix	trans	-83.2	-17.6	173.7	0	0	0	0	0	114.2	A130 V131	A130-G133 PolarHBondContact O-N 2.98Å; A130-G133 VanDerWaalsContact O-N 3.11Å; V131-G133 VanDerWaalsContact C-N 3.26Å; V131-G133 PolarHBondContact O-N 3.19Å
134	E	95	Very high	96.8	Very high	104 Å²	104	40.3 Å²	40.3	49%	0.486	24%	0.244	S	C	.	.	H	α-helix	trans	-100.6	-27.5	-175.6	-71	-178.5	-174.4	0	0	113.6	W77 A130 V131	W77-E134 PolarHBondContact NE1-OE2 3.47Å; A130-E134 WeakPolarHBondContact O-CG 3.41Å; A130-E134 PolarHBondContact O-N 3.15Å; V131-E134 PolarHBondContact O-N 2.67Å; V131-E134 VanDerWaalsContact O-N 3.12Å
135	V	93.6	Very high	96.7	Very high	24 Å²	24	40.7 Å²	40.7	15%	0.145	25%	0.246	C	C	.	.	S	Bend	trans	-107.6	108.8	-177.1	-177.8	0	0	0	0	109.5	V131 G137 L138	V131-V135 HydrophobicContact CG2-CB 4.42Å; V131-V135 HydrophobicContact CG2-CG2 3.58Å; V131-V135 PolarHBondContact O-N 2.9Å; V135-G137 PolarHBondContact O-N 2.57Å; V135-L138 HydrophobicContact CB-CB 3.98Å; V135-L138 HydrophobicContact CB-CD2 3.97Å; V135-L138 HydrophobicContact CG1-CB 3.97Å; V135-L138 HydrophobicContact CG1-CD2 4.35Å; V135-L138 HydrophobicContact CG2-CD2 4.45Å; V135-L138 WeakPolarHBondContact O-CB 3.44Å; V135-L138 PolarHBondContact O-N 2.75Å
136	P	92.7	Very high	96.6	Very high	116 Å²	116	40.3 Å²	40.3	75%	0.753	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	130.8	-175.7	-25.4	34.8	0	0	0	113.2	L138	P136-L138 PolarHBondContact O-N 2.82Å
137	G	95.1	Very high	96.6	Very high	52 Å²	52	39.4 Å²	39.4	54%	0.536	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	10.2	176.4	0	0	0	0	0	114.8	C102 V135 E139	C102-G137 WeakPolarHBondContact CA-O 3.48Å; V135-G137 PolarHBondContact O-N 2.57Å; G137-E139 PolarHBondContact O-N 2.82Å
138	L	97.4	Very high	96.4	Very high	7 Å²	7	42.3 Å²	42.3	4%	0.037	27%	0.272	C	S	.	.			trans	-70.2	121.6	173.6	-175.9	65.7	0	0	0	109.5	A104 V131 F132 V135 P136 R140 V141	A104-L138 HydrophobicContact CB-CD1 3.62Å; V131-L138 HydrophobicContact CB-CD2 4.41Å; V131-L138 HydrophobicContact CG1-CD2 3.94Å; V131-L138 HydrophobicContact CG2-CD2 3.87Å; F132-L138 HydrophobicContact CD1-CB 4.37Å; F132-L138 HydrophobicContact CD1-CD2 4.11Å; F132-L138 HydrophobicContact CD1-CG 3.97Å; F132-L138 WeakPolarHBondContact CD1-O 3.5Å; F132-L138 HydrophobicContact CE1-CD2 4.29Å; F132-L138 HydrophobicContact CE1-CG 4.01Å; V135-L138 HydrophobicContact CB-CB 3.98Å; V135-L138 HydrophobicContact CB-CD2 3.97Å; V135-L138 HydrophobicContact CG1-CB 3.97Å; V135-L138 HydrophobicContact CG1-CD2 4.35Å; V135-L138 HydrophobicContact CG2-CD2 4.45Å; V135-L138 WeakPolarHBondContact O-CB 3.44Å; V135-L138 PolarHBondContact O-N 2.75Å; P136-L138 PolarHBondContact O-N 2.82Å; L138-R140 VanDerWaalsContact CD1-O 3.3Å; L138-R140 WeakPolarHBondContact CD1-O 3.38Å; L138-V141 HydrophobicContact CD2-CG2 3.95Å
139	E	97.8	Very high	96.3	Very high	103 Å²	103	43.8 Å²	43.8	48%	0.481	28%	0.28	S	S	.	.			trans	-112.9	-18.9	178.4	-61.7	-69	154.8	0	0	111.1	C102 G137 I186 D187	C102-E139 HydrophobicContact CB-CB 4.09Å; C102-E139 HydrophobicContact CB-CG 3.93Å; C102-E139 PolarHBondContact O-N 2.83Å; G137-E139 PolarHBondContact O-N 2.82Å; E139-I186 WeakPolarHBondContact O-CA 3.24Å; E139-I186 WeakPolarHBondContact O-CG2 3.34Å; E139-D187 PolarHBondContact O-N 3.11Å
140	R	98.4	Very high	96.4	Very high	36 Å²	36	43 Å²	43	14%	0.136	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	129.3	-174.4	176	-170.9	174.2	87.6	-1.8	112.5	C102 R103 A104 L138 E142 E164 S184	C102-R140 PolarHBondContact O-N 3.16Å; R103-R140 WeakPolarHBondContact CA-O 3.33Å; R103-R140 HydrophobicContact CG-CB 4.11Å; R103-R140 HydrophobicContact CG-CG 4.43Å; A104-R140 PolarHBondContact N-O 2.74Å; L138-R140 VanDerWaalsContact CD1-O 3.3Å; L138-R140 WeakPolarHBondContact CD1-O 3.38Å; R140-E142 IonicContact CZ-OE2 2.74Å; R140-E142 IonicContact NE-OE2 3.62Å; R140-E142 PolarHBondContact NE-OE2 2.77Å; R140-E142 IonicContact NH2-OE2 2.93Å; R140-E142 PolarHBondContact NH2-OE2 3.11Å; R140-E164 IonicContact CZ-OE1 3.65Å; R140-E164 IonicContact CZ-OE2 3.38Å; R140-E164 IonicContact NH1-OE1 3.4Å; R140-E164 PolarHBondContact NH1-OE1 2.89Å; R140-E164 IonicContact NH1-OE2 3.61Å; R140-E164 VanDerWaalsContact NH2-CD 3.32Å; R140-E164 IonicContact NH2-OE1 2.9Å; R140-E164 PolarHBondContact NH2-OE1 3.02Å; R140-E164 IonicContact NH2-OE2 2.67Å; R140-E164 PolarHBondContact NH2-OE2 3.41Å; R140-S184 PolarHBondContact NH1-OG 3.49Å
141	V	98.7	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122.5	161.9	179.4	0	0	0	0	108.4	A104 L106 V131 F132 L138 F161 S184 F185	A104-V141 CarbonylContact O-C 3.52Å; A104-V141 WeakPolarHBondContact O-CA 3.36Å; L106-V141 HydrophobicContact CB-CG1 3.65Å; V131-V141 HydrophobicContact CG1-CG2 3.75Å; F132-V141 HydrophobicContact CE1-CG2 4.26Å; F132-V141 HydrophobicContact CE2-CG2 4.11Å; F132-V141 HydrophobicContact CZ-CB 4.35Å; F132-V141 HydrophobicContact CZ-CG2 3.74Å; L138-V141 HydrophobicContact CD2-CG2 3.95Å; V141-F161 HydrophobicContact CB-CZ 4.48Å; V141-F161 HydrophobicContact CG1-CE1 4.11Å; V141-F161 HydrophobicContact CG1-CZ 3.97Å; V141-S184 CarbonylContact O-C 3.57Å; V141-S184 WeakPolarHBondContact O-CA 3.43Å; V141-F185 PolarHBondContact N-O 2.89Å; V141-F185 PolarHBondContact O-N 2.76Å
142	E	98.5	Very high	96.4	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	154.6	177.2	63.4	-174.6	-152.4	0	0	112.2	A104 E105 L106 R140 M182 C183	A104-E142 PolarHBondContact O-N 2.84Å; E105-E142 CarbonylContact C-O 3.53Å; E105-E142 WeakPolarHBondContact CA-O 3.4Å; L106-E142 PolarHBondContact N-O 2.78Å; R140-E142 IonicContact CZ-OE2 2.74Å; R140-E142 IonicContact NE-OE2 3.62Å; R140-E142 PolarHBondContact NE-OE2 2.77Å; R140-E142 IonicContact NH2-OE2 2.93Å; R140-E142 PolarHBondContact NH2-OE2 3.11Å; E142-M182 HydrophobicContact CB-SD 3.88Å; E142-M182 HydrophobicContact CG-SD 4.48Å; E142-C183 CarbonylContact C-O 3.51Å; E142-C183 VanDerWaalsContact CA-O 3.32Å; E142-C183 WeakPolarHBondContact CA-O 3.5Å
143	A	98.6	Very high	96.5	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	126.2	177.6	0	0	0	0	0	110	L106 L156 F161 C183	L106-A143 HydrophobicContact CB-CB 4.38Å; A143-L156 HydrophobicContact CB-CD1 3.59Å; A143-L156 HydrophobicContact CB-CD2 3.82Å; A143-L156 HydrophobicContact CB-CG 4.38Å; A143-F161 HydrophobicContact CB-CE1 4.42Å; A143-C183 PolarHBondContact N-O 3.35Å; A143-C183 PolarHBondContact O-N 3.07Å
144	L	97.5	Very high	96.7	Very high	42 Å²	42	47.2 Å²	47.2	22%	0.22	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	103.4	177.9	-75.7	167	0	0	0	110.3	L167 Y170 K180 M182	L144-L167 HydrophobicContact CD2-CD1 3.81Å; L144-Y170 HydrophobicContact CD1-CD1 4.34Å; L144-Y170 HydrophobicContact CD1-CE1 3.62Å; L144-Y170 HydrophobicContact CD2-CD1 3.94Å; L144-Y170 HydrophobicContact CD2-CE1 3.69Å; L144-Y170 HydrophobicContact CG-CE1 4.32Å; L144-K180 HydrophobicContact CD2-CB 4.11Å; L144-M182 HydrophobicContact CD2-CE 3.5Å; L144-M182 VanDerWaalsContact CD2-CE 3.5Å; L144-M182 HydrophobicContact CD2-SD 4.03Å; L144-M182 HydrophobicContact CG-CE 4Å; L144-M182 HydrophobicContact CG-SD 4.39Å
145	V	97.3	Very high	96.8	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138.2	-174.8	-174.5	0	0	0	0	110.5	V147 N149 S152 Q153 L156 K180 V181	V145-V147 PolarHBondContact O-N 3.03Å; V145-N149 HydrophobicContact CG1-CB 3.77Å; V145-S152 WeakPolarHBondContact CG1-OG 3.33Å; V145-S152 WeakPolarHBondContact CG2-OG 3.19Å; V145-Q153 HydrophobicContact CB-CG 4.23Å; V145-Q153 HydrophobicContact CG1-CG 3.77Å; V145-L156 HydrophobicContact CG2-CD1 3.33Å; V145-K180 CarbonylContact O-C 3.52Å; V145-K180 VanDerWaalsContact O-CA 3.23Å; V145-K180 WeakPolarHBondContact O-CA 3.19Å; V145-V181 PolarHBondContact N-O 3.23Å; V145-V181 PolarHBondContact O-N 3.42Å
146	D	96.2	Very high	97.1	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	134.9	170.2	-155.3	-81.8	0	0	0	111	L52 A148 N149 Q153 R178 K180	L52-D146 HydrophobicContact CD2-CB 4.28Å; D146-A148 PolarHBondContact O-N 3.1Å; D146-A148 VanDerWaalsContact O-N 3.09Å; D146-A148 PolarHBondContact OD1-N 2.91Å; D146-A148 VanDerWaalsContact OD1-N 3.17Å; D146-N149 HydrophobicContact CB-CB 4.05Å; D146-N149 WeakPolarHBondContact O-CA 3.32Å; D146-N149 WeakPolarHBondContact O-CB 3.41Å; D146-N149 PolarHBondContact O-N 3.14Å; D146-Q153 PolarHBondContact O-NE2 3.25Å; D146-R178 WeakPolarHBondContact OD1-CD 3.32Å; D146-R178 WeakPolarHBondContact OD2-CD 3.37Å; D146-K180 IonicContact OD2-NZ 3.37Å; D146-K180 PolarHBondContact OD2-NZ 3.38Å
147	V	96	Very high	97.3	Very high	63 Å²	63	43.2 Å²	43.2	38%	0.382	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-28.3	-178.8	72.2	0	0	0	0	112.5	V145 N149 Q153 D179 V181	V145-V147 PolarHBondContact O-N 3.03Å; V147-N149 VanDerWaalsContact C-N 3.35Å; V147-Q153 PolarHBondContact O-NE2 3.5Å; V147-D179 HydrophobicContact CB-CB 4.28Å; V147-D179 HydrophobicContact CG1-CB 4.1Å; V147-D179 PolarHBondContact N-O 3.05Å; V147-V181 HydrophobicContact CB-CG2 4.4Å; V147-V181 HydrophobicContact CG2-CG2 4.21Å
148	A	94.3	Very high	97.4	Very high	60 Å²	60	46.6 Å²	46.6	50%	0.496	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.3	175.1	0	0	0	0	0	113.7	D146 L150	D146-A148 PolarHBondContact O-N 3.1Å; D146-A148 VanDerWaalsContact O-N 3.09Å; D146-A148 PolarHBondContact OD1-N 2.91Å; D146-A148 VanDerWaalsContact OD1-N 3.17Å; A148-L150 VanDerWaalsContact C-N 3.3Å; A148-L150 PolarHBondContact O-N 3.1Å
149	N	96.3	Very high	97.5	Very high	34 Å²	34	46.3 Å²	46.3	18%	0.182	24%	0.242	C	C	.	.			trans	-84.4	68	-177.7	-164.2	-14.8	0	0	0	112.1	L52 V145 D146 V147 A151 S152 Q153	L52-N149 HydrophobicContact CD1-CB 3.72Å; V145-N149 HydrophobicContact CG1-CB 3.77Å; D146-N149 HydrophobicContact CB-CB 4.05Å; D146-N149 WeakPolarHBondContact O-CA 3.32Å; D146-N149 WeakPolarHBondContact O-CB 3.41Å; D146-N149 PolarHBondContact O-N 3.14Å; V147-N149 VanDerWaalsContact C-N 3.35Å; N149-A151 PolarHBondContact O-N 3.2Å; N149-S152 VanDerWaalsContact CG-CB 3.42Å; N149-S152 WeakPolarHBondContact ND2-CB 3.39Å; N149-S152 PolarHBondContact O-N 2.85Å; N149-S152 WeakPolarHBondContact OD1-CB 3.37Å; N149-S152 PolarHBondContact OD1-N 2.91Å; N149-Q153 WeakPolarHBondContact O-CG 3.21Å; N149-Q153 PolarHBondContact O-N 2.83Å; N149-Q153 VanDerWaalsContact O-N 3.14Å
150	L	96.8	Very high	97.5	Very high	84 Å²	84	42.3 Å²	42.3	44%	0.44	23%	0.229	S	C	.	.	H	α-helix	trans	-61.1	-28.9	179.9	-59.8	-179.7	0	0	0	112.7	A148 R154	A148-L150 VanDerWaalsContact C-N 3.3Å; A148-L150 PolarHBondContact O-N 3.1Å; L150-R154 VanDerWaalsContact O-CG 3.32Å; L150-R154 WeakPolarHBondContact O-CG 3.4Å; L150-R154 PolarHBondContact O-N 2.75Å; L150-R154 VanDerWaalsContact O-N 3.1Å
151	A	96.7	Very high	97.5	Very high	64 Å²	64	41.1 Å²	41.1	53%	0.529	22%	0.224	S	C	.	.	H	α-helix	trans	-65.5	-46	177.6	0	0	0	0	0	111.6	N149 R154 V155	N149-A151 PolarHBondContact O-N 3.2Å; A151-R154 PolarHBondContact O-N 3.27Å; A151-V155 WeakPolarHBondContact O-CG2 3.47Å; A151-V155 PolarHBondContact O-N 3.01Å; A151-V155 VanDerWaalsContact O-N 3.14Å
152	S	97.3	Very high	97.5	Very high	16 Å²	16	44.9 Å²	44.9	11%	0.112	25%	0.247	C	C	.	.	H	α-helix	trans	-67.4	-39.8	176.6	172.8	0	0	0	0	112.1	Y108 V145 N149 R154 V155 L156	Y108-S152 WeakPolarHBondContact OH-CA 3.42Å; Y108-S152 WeakPolarHBondContact OH-CB 3.41Å; Y108-S152 PolarHBondContact OH-O 2.98Å; Y108-S152 VanDerWaalsContact OH-O 3.11Å; Y108-S152 PolarHBondContact OH-OG 3.19Å; V145-S152 WeakPolarHBondContact CG1-OG 3.33Å; V145-S152 WeakPolarHBondContact CG2-OG 3.19Å; N149-S152 VanDerWaalsContact CG-CB 3.42Å; N149-S152 WeakPolarHBondContact ND2-CB 3.39Å; N149-S152 PolarHBondContact O-N 2.85Å; N149-S152 WeakPolarHBondContact OD1-CB 3.37Å; N149-S152 PolarHBondContact OD1-N 2.91Å; S152-R154 VanDerWaalsContact C-N 3.32Å; S152-R154 PolarHBondContact O-N 2.8Å; S152-V155 WeakPolarHBondContact O-CB 3.42Å; S152-V155 PolarHBondContact O-N 2.91Å; S152-L156 PolarHBondContact O-N 2.9Å; S152-L156 VanDerWaalsContact O-N 3.12Å
153	Q	98.4	Very high	97.5	Very high	34 Å²	34	51.7 Å²	51.7	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-44.7	174.9	-67.8	174.3	48.3	0	0	111.8	V145 D146 V147 N149 V155 L156 E157 V181	V145-Q153 HydrophobicContact CB-CG 4.23Å; V145-Q153 HydrophobicContact CG1-CG 3.77Å; D146-Q153 PolarHBondContact O-NE2 3.25Å; V147-Q153 PolarHBondContact O-NE2 3.5Å; N149-Q153 WeakPolarHBondContact O-CG 3.21Å; N149-Q153 PolarHBondContact O-N 2.83Å; N149-Q153 VanDerWaalsContact O-N 3.14Å; Q153-V155 VanDerWaalsContact C-N 3.32Å; Q153-V155 PolarHBondContact O-N 3.37Å; Q153-L156 PolarHBondContact O-N 2.95Å; Q153-E157 PolarHBondContact O-N 2.76Å; Q153-V181 HydrophobicContact CG-CG2 4.49Å
154	R	98	Very high	97.4	Very high	123 Å²	123	55.9 Å²	55.9	46%	0.464	29%	0.292	S	S	.	.	H	α-helix	trans	-65.4	-31.5	175.9	-72.4	172.8	-176.8	157.3	2.3	113.5	L150 A151 S152 K158	L150-R154 VanDerWaalsContact O-CG 3.32Å; L150-R154 WeakPolarHBondContact O-CG 3.4Å; L150-R154 PolarHBondContact O-N 2.75Å; L150-R154 VanDerWaalsContact O-N 3.1Å; A151-R154 PolarHBondContact O-N 3.27Å; S152-R154 VanDerWaalsContact C-N 3.32Å; S152-R154 PolarHBondContact O-N 2.8Å; R154-K158 WeakPolarHBondContact O-CB 3.12Å; R154-K158 VanDerWaalsContact O-CG 3.23Å; R154-K158 WeakPolarHBondContact O-CG 3.24Å; R154-K158 PolarHBondContact O-N 3.39Å; R154-K158 VanDerWaalsContact O-N 3.12Å
155	V	98.5	Very high	97.5	Very high	21 Å²	21	55.8 Å²	55.8	13%	0.127	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-47.7	176.2	161.6	0	0	0	0	110	Y108 A120 V124 A151 S152 Q153 K158 A159	Y108-V155 HydrophobicContact CE1-CG1 4.31Å; Y108-V155 HydrophobicContact CE2-CB 4.48Å; Y108-V155 HydrophobicContact CE2-CG1 4Å; Y108-V155 WeakPolarHBondContact OH-CB 3.32Å; Y108-V155 VanDerWaalsContact OH-CG1 3.31Å; Y108-V155 WeakPolarHBondContact OH-CG1 3.33Å; A120-V155 HydrophobicContact CB-CG1 3.91Å; A120-V155 HydrophobicContact CB-CG2 3.82Å; V124-V155 HydrophobicContact CG2-CG1 4.07Å; A151-V155 WeakPolarHBondContact O-CG2 3.47Å; A151-V155 PolarHBondContact O-N 3.01Å; A151-V155 VanDerWaalsContact O-N 3.14Å; S152-V155 WeakPolarHBondContact O-CB 3.42Å; S152-V155 PolarHBondContact O-N 2.91Å; Q153-V155 VanDerWaalsContact C-N 3.32Å; Q153-V155 PolarHBondContact O-N 3.37Å; V155-K158 PolarHBondContact O-N 3.23Å; V155-A159 WeakPolarHBondContact O-CB 3.42Å; V155-A159 PolarHBondContact O-N 2.83Å
156	L	98.6	Very high	97.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-47.9	180	-68.4	172.2	0	0	0	111.4	L106 Y108 V124 A143 V145 S152 Q153 K158 A159 G160 F161 C183	L106-L156 HydrophobicContact CD2-CD2 3.88Å; Y108-L156 HydrophobicContact CE1-CD2 4.17Å; V124-L156 HydrophobicContact CG1-CD2 4.49Å; A143-L156 HydrophobicContact CB-CD1 3.59Å; A143-L156 HydrophobicContact CB-CD2 3.82Å; A143-L156 HydrophobicContact CB-CG 4.38Å; V145-L156 HydrophobicContact CG2-CD1 3.33Å; S152-L156 PolarHBondContact O-N 2.9Å; S152-L156 VanDerWaalsContact O-N 3.12Å; Q153-L156 PolarHBondContact O-N 2.95Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.09Å; L156-A159 CarbonylContact O-C 3.5Å; L156-A159 WeakPolarHBondContact O-CA 3.36Å; L156-A159 PolarHBondContact O-N 3.3Å; L156-G160 PolarHBondContact O-N 3.28Å; L156-F161 HydrophobicContact CB-CB 3.9Å; L156-F161 HydrophobicContact CB-CD2 4.48Å; L156-F161 HydrophobicContact CB-CG 4.12Å; L156-F161 HydrophobicContact CD2-CD1 3.93Å; L156-F161 HydrophobicContact CD2-CD2 3.99Å; L156-F161 HydrophobicContact CD2-CE1 4.08Å; L156-F161 HydrophobicContact CD2-CE2 4.14Å; L156-F161 HydrophobicContact CD2-CG 3.9Å; L156-F161 HydrophobicContact CD2-CZ 4.2Å; L156-F161 WeakPolarHBondContact O-CB 3.23Å; L156-F161 PolarHBondContact O-N 3.19Å; L156-C183 HydrophobicContact CD1-CB 3.84Å
157	E	97.8	Very high	97.6	Very high	140 Å²	140	60 Å²	60	65%	0.654	32%	0.321	S	S	*	.	H	α-helix	trans	-54.3	-48.2	175.6	-177.6	-176.3	-172.3	0	0	111.5	Q153 A159 G160	Q153-E157 PolarHBondContact O-N 2.76Å; E157-A159 PolarHBondContact O-N 2.98Å; E157-G160 PolarHBondContact O-N 2.84Å; E157-G160 VanDerWaalsContact O-N 3.1Å
158	K	97.4	Very high	97.7	Very high	123 Å²	123	67.2 Å²	67.2	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-68.6	-19.8	177.4	-71.8	176.9	178.4	-178.4	0	114.2	T121 K125 R154 V155 L156 G160	T121-K158 HydrophobicContact CG2-CB 3.73Å; K125-K158 VanDerWaalsContact CE-O 3.25Å; K125-K158 WeakPolarHBondContact CE-O 3.42Å; R154-K158 WeakPolarHBondContact O-CB 3.12Å; R154-K158 VanDerWaalsContact O-CG 3.23Å; R154-K158 WeakPolarHBondContact O-CG 3.24Å; R154-K158 PolarHBondContact O-N 3.39Å; R154-K158 VanDerWaalsContact O-N 3.12Å; V155-K158 PolarHBondContact O-N 3.23Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 3.09Å; K158-G160 VanDerWaalsContact C-N 3.3Å
159	A	98	Very high	97.8	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.2	175.5	0	0	0	0	0	112.5	T121 V124 K125 V155 L156 E157 F161	T121-A159 HydrophobicContact CG2-CB 4.47Å; V124-A159 HydrophobicContact CB-CB 4.08Å; V124-A159 HydrophobicContact CG1-CB 3.57Å; K125-A159 HydrophobicContact CG-CB 4.07Å; V155-A159 WeakPolarHBondContact O-CB 3.42Å; V155-A159 PolarHBondContact O-N 2.83Å; L156-A159 CarbonylContact O-C 3.5Å; L156-A159 WeakPolarHBondContact O-CA 3.36Å; L156-A159 PolarHBondContact O-N 3.3Å; E157-A159 PolarHBondContact O-N 2.98Å; A159-F161 HydrophobicContact CB-CD2 4.15Å; A159-F161 HydrophobicContact CB-CE2 4.42Å
160	G	98	Very high	97.8	Very high	20 Å²	20	76.9 Å²	76.9	21%	0.206	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	6.9	178.4	0	0	0	0	0	114.6	L156 E157 K158	L156-G160 PolarHBondContact O-N 3.28Å; E157-G160 PolarHBondContact O-N 2.84Å; E157-G160 VanDerWaalsContact O-N 3.1Å; K158-G160 VanDerWaalsContact C-N 3.3Å
161	F	98.6	Very high	97.5	Very high	11 Å²	11	73.8 Å²	73.8	5%	0.048	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-72.5	138.3	177.7	-77.3	-116.7	0	0	0	111.1	L106 V124 V128 V141 A143 L156 A159 C183 S184 F185	L106-F161 HydrophobicContact CD2-CE1 4.16Å; L106-F161 HydrophobicContact CD2-CE2 4.23Å; L106-F161 HydrophobicContact CD2-CZ 3.6Å; V124-F161 HydrophobicContact CG1-CD2 4.29Å; V124-F161 HydrophobicContact CG1-CE2 3.53Å; V124-F161 HydrophobicContact CG1-CZ 4.2Å; V128-F161 HydrophobicContact CG1-CE2 3.65Å; V128-F161 HydrophobicContact CG1-CZ 3.64Å; V141-F161 HydrophobicContact CB-CZ 4.48Å; V141-F161 HydrophobicContact CG1-CE1 4.11Å; V141-F161 HydrophobicContact CG1-CZ 3.97Å; A143-F161 HydrophobicContact CB-CE1 4.42Å; L156-F161 HydrophobicContact CB-CB 3.9Å; L156-F161 HydrophobicContact CB-CD2 4.48Å; L156-F161 HydrophobicContact CB-CG 4.12Å; L156-F161 HydrophobicContact CD2-CD1 3.93Å; L156-F161 HydrophobicContact CD2-CD2 3.99Å; L156-F161 HydrophobicContact CD2-CE1 4.08Å; L156-F161 HydrophobicContact CD2-CE2 4.14Å; L156-F161 HydrophobicContact CD2-CG 3.9Å; L156-F161 HydrophobicContact CD2-CZ 4.2Å; L156-F161 WeakPolarHBondContact O-CB 3.23Å; L156-F161 PolarHBondContact O-N 3.19Å; A159-F161 HydrophobicContact CB-CD2 4.15Å; A159-F161 HydrophobicContact CB-CE2 4.42Å; F161-C183 HydrophobicContact CB-CB 4.2Å; F161-C183 HydrophobicContact CD1-CB 4.22Å; F161-S184 CarbonylContact C-O 3.53Å; F161-S184 WeakPolarHBondContact CA-O 3.42Å; F161-S184 WeakPolarHBondContact CB-O 3.05Å; F161-F185 HydrophobicContact CD1-CB 3.85Å; F161-F185 HydrophobicContact CD2-CB 3.96Å; F161-F185 AromaticContact CD2-CD2 3.94Å; F161-F185 HydrophobicContact CD2-CD2 3.94Å; F161-F185 HydrophobicContact CD2-CG 4.4Å; F161-F185 HydrophobicContact CE1-CB 3.66Å; F161-F185 HydrophobicContact CE2-CB 3.77Å; F161-F185 HydrophobicContact CE2-CD2 4.04Å; F161-F185 HydrophobicContact CE2-CG 4.21Å; F161-F185 HydrophobicContact CG-CB 3.98Å; F161-F185 HydrophobicContact CZ-CB 3.6Å; F161-F185 HydrophobicContact CZ-CG 4.43Å
162	T	98.4	Very high	97.3	Very high	78 Å²	78	74.4 Å²	74.4	48%	0.479	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.8	170.8	-65.2	0	0	0	0	110.2	E164 C183 S184	T162-E164 PolarHBondContact O-N 3.37Å; T162-C183 CarbonylContact O-C 3.46Å; T162-C183 WeakPolarHBondContact O-CA 3.46Å; T162-S184 PolarHBondContact N-O 3.11Å; T162-S184 PolarHBondContact O-N 3.41Å
163	R	98.1	Very high	96.8	Very high	155 Å²	155	74.3 Å²	74.3	59%	0.585	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	117.4	169.2	176.6	174.4	175.9	-110.8	1.2	109.3	V166 V181	R163-V166 VanDerWaalsContact NH2-CG2 3.32Å; R163-V181 HydrophobicContact CG-CG1 3.7Å
164	E	98.3	Very high	96.5	Very high	91 Å²	91	76.1 Å²	76.1	43%	0.425	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-51.9	-173.9	-61.2	-175	160.1	0	0	112.6	R140 T162 M182 S184	R140-E164 IonicContact CZ-OE1 3.65Å; R140-E164 IonicContact CZ-OE2 3.38Å; R140-E164 IonicContact NH1-OE1 3.4Å; R140-E164 PolarHBondContact NH1-OE1 2.89Å; R140-E164 IonicContact NH1-OE2 3.61Å; R140-E164 VanDerWaalsContact NH2-CD 3.32Å; R140-E164 IonicContact NH2-OE1 2.9Å; R140-E164 PolarHBondContact NH2-OE1 3.02Å; R140-E164 IonicContact NH2-OE2 2.67Å; R140-E164 PolarHBondContact NH2-OE2 3.41Å; T162-E164 PolarHBondContact O-N 3.37Å; E164-M182 HydrophobicContact CB-CG 4.39Å; E164-M182 PolarHBondContact N-O 3.01Å; E164-M182 WeakPolarHBondContact OE2-CG 3.47Å; E164-S184 VanDerWaalsContact CD-OG 3.24Å; E164-S184 WeakPolarHBondContact OE1-CB 3.49Å; E164-S184 PolarHBondContact OE1-OG 3.2Å
165	A	97.8	Very high	96.2	Very high	41 Å²	41	74 Å²	74	34%	0.339	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	164.6	-170	0	0	0	0	0	112.9	L167 V181 M182	A165-L167 HydrophobicContact CB-CD2 4.18Å; A165-V181 WeakPolarHBondContact O-CA 3.39Å; A165-M182 PolarHBondContact O-N 2.91Å
166	V	98.4	Very high	95.9	Very high	58 Å²	58	76.1 Å²	76.1	35%	0.352	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.1	161.6	-178.5	0	0	0	0	108.1	R163 D179 K180 V181	R163-V166 VanDerWaalsContact NH2-CG2 3.32Å; V166-D179 HydrophobicContact CG1-CB 3.98Å; V166-K180 CarbonylContact C-O 3.52Å; V166-K180 WeakPolarHBondContact CA-O 3.5Å; V166-V181 HydrophobicContact CG2-CG2 4.41Å
167	L	98.2	Very high	95.8	Very high	44 Å²	44	80 Å²	80	23%	0.23	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	110.1	176.6	-51.2	-175.9	0	0	0	108.7	L144 A165 Y170 D179 K180 M182	L144-L167 HydrophobicContact CD2-CD1 3.81Å; A165-L167 HydrophobicContact CB-CD2 4.18Å; L167-Y170 HydrophobicContact CB-CD1 4.36Å; L167-Y170 HydrophobicContact CB-CD2 3.75Å; L167-Y170 HydrophobicContact CB-CG 3.61Å; L167-Y170 HydrophobicContact CD1-CD1 3.87Å; L167-Y170 HydrophobicContact CD1-CD2 3.69Å; L167-Y170 HydrophobicContact CD1-CE1 3.9Å; L167-Y170 HydrophobicContact CD1-CE2 3.71Å; L167-Y170 HydrophobicContact CD1-CG 3.77Å; L167-Y170 HydrophobicContact CG-CD2 4.33Å; L167-Y170 HydrophobicContact CG-CG 4.36Å; L167-Y170 WeakPolarHBondContact O-CB 3.36Å; L167-D179 CarbonylContact O-C 3.59Å; L167-D179 VanDerWaalsContact O-CA 3.28Å; L167-D179 WeakPolarHBondContact O-CA 3.45Å; L167-K180 PolarHBondContact N-O 3Å; L167-K180 PolarHBondContact O-N 3.4Å; L167-M182 HydrophobicContact CD1-CB 4.16Å; L167-M182 HydrophobicContact CD1-CE 4.08Å; L167-M182 HydrophobicContact CG-CB 4.24Å
168	R	98	Very high	95.6	Very high	214 Å²	214	76.8 Å²	76.8	81%	0.808	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.8	-175.3	-62.7	-174.1	-62.9	157.1	0.1	111.2	Y170 D179	R168-Y170 PolarHBondContact O-N 2.78Å; R168-Y170 VanDerWaalsContact O-N 3.11Å; R168-D179 WeakPolarHBondContact CA-OD1 3.35Å
169	K	96.6	Very high	95.6	Very high	167 Å²	167	73.5 Å²	73.5	73%	0.726	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.3	37.5	-179.8	-65.3	-170.6	175.5	-175.1	0	113.3	V177 D179	K169-V177 HydrophobicContact CB-CG1 3.58Å; K169-V177 HydrophobicContact CD-CG1 4.32Å; K169-V177 HydrophobicContact CG-CG1 3.87Å; K169-D179 PolarHBondContact N-OD1 3.18Å
170	Y	96.5	Very high	95.6	Very high	131 Å²	131	74.9 Å²	74.9	51%	0.514	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-27.6	-169	-171.3	-102.2	0	0	0	113.4	L144 L167 R168 R178 K180	L144-Y170 HydrophobicContact CD1-CD1 4.34Å; L144-Y170 HydrophobicContact CD1-CE1 3.62Å; L144-Y170 HydrophobicContact CD2-CD1 3.94Å; L144-Y170 HydrophobicContact CD2-CE1 3.69Å; L144-Y170 HydrophobicContact CG-CE1 4.32Å; L167-Y170 HydrophobicContact CB-CD1 4.36Å; L167-Y170 HydrophobicContact CB-CD2 3.75Å; L167-Y170 HydrophobicContact CB-CG 3.61Å; L167-Y170 HydrophobicContact CD1-CD1 3.87Å; L167-Y170 HydrophobicContact CD1-CD2 3.69Å; L167-Y170 HydrophobicContact CD1-CE1 3.9Å; L167-Y170 HydrophobicContact CD1-CE2 3.71Å; L167-Y170 HydrophobicContact CD1-CG 3.77Å; L167-Y170 HydrophobicContact CG-CD2 4.33Å; L167-Y170 HydrophobicContact CG-CG 4.36Å; L167-Y170 WeakPolarHBondContact O-CB 3.36Å; R168-Y170 PolarHBondContact O-N 2.78Å; R168-Y170 VanDerWaalsContact O-N 3.11Å; Y170-R178 PolarHBondContact N-O 2.76Å; Y170-K180 HydrophobicContact CD1-CB 4.26Å; Y170-K180 HydrophobicContact CD1-CG 4.1Å
171	G	90.6	Very high	95.6	Very high	18 Å²	18	73.9 Å²	73.9	19%	0.186	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137	-178.6	0	0	0	0	0	112.8	R178	G171-R178 PolarHBondContact N-O 2.9Å; G171-R178 PolarHBondContact O-N 3.16Å
172	A	91.6	Very high	95.6	Very high	78 Å²	78	74.1 Å²	74.1	65%	0.645	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	127.4	164.1	0	0	0	0	0	109.1	V176 V177	A172-V176 WeakPolarHBondContact CA-O 3.04Å; A172-V177 HydrophobicContact CB-CG2 4.13Å
173	N	87.5	Confident	95.7	Very high	13 Å²	13	70.7 Å²	70.7	7%	0.07	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.3	169.5	-170.1	22.8	0	0	0	109.3	L52 C53 R54 G175 V176 R178	L52-N173 PolarHBondContact O-ND2 2.97Å; C53-N173 PolarHBondContact O-ND2 2.65Å; C53-N173 PolarHBondContact O-OD1 3.41Å; R54-N173 WeakPolarHBondContact CA-OD1 3.28Å; N173-G175 VanDerWaalsContact C-N 3.34Å; N173-G175 PolarHBondContact O-N 2.97Å; N173-V176 PolarHBondContact N-O 3.01Å; N173-V176 PolarHBondContact O-N 3.14Å; N173-R178 PolarHBondContact O-NH1 2.73Å
174	K	91.4	Very high	95.7	Very high	72 Å²	72	63.4 Å²	63.4	31%	0.313	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	50.8	-178.5	-57.5	177.5	176.9	-164.3	0	112.7	A50 C53 W55 E56 V176	A50-K174 PolarHBondContact O-NZ 2.92Å; C53-K174 WeakPolarHBondContact O-CE 3.35Å; W55-K174 WeakPolarHBondContact O-CE 3.46Å; W55-K174 PolarHBondContact O-NZ 2.93Å; E56-K174 VanDerWaalsContact OE1-CD 3.22Å; E56-K174 WeakPolarHBondContact OE1-CD 3.22Å; E56-K174 WeakPolarHBondContact OE1-CE 3.4Å; E56-K174 WeakPolarHBondContact OE1-CG 3.5Å; E56-K174 IonicContact OE1-NZ 2.83Å; E56-K174 WeakPolarHBondContact OE2-CE 3.4Å; E56-K174 IonicContact OE2-NZ 3.52Å; E56-K174 PolarHBondContact OE2-NZ 3.17Å; K174-V176 PolarHBondContact O-N 3.17Å; K174-V176 VanDerWaalsContact O-N 3.11Å
175	G	92.2	Very high	95.7	Very high	80 Å²	80	59.3 Å²	59.3	83%	0.825	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	-6.1	-179.4	0	0	0	0	0	115.6	N173	N173-G175 VanDerWaalsContact C-N 3.34Å; N173-G175 PolarHBondContact O-N 2.97Å
176	V	92.2	Very high	95.7	Very high	64 Å²	64	60.7 Å²	60.7	39%	0.388	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.1	-179.5	-174.8	0	0	0	0	110.1	A172 N173 K174 R178	A172-V176 WeakPolarHBondContact CA-O 3.04Å; N173-V176 PolarHBondContact N-O 3.01Å; N173-V176 PolarHBondContact O-N 3.14Å; K174-V176 PolarHBondContact O-N 3.17Å; K174-V176 VanDerWaalsContact O-N 3.11Å; V176-R178 HydrophobicContact CG1-CG 3.93Å
177	V	95.5	Very high	95.4	Very high	82 Å²	82	61.7 Å²	61.7	50%	0.497	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.5	172.5	-179.3	0	0	0	0	109.4	K169 A172	K169-V177 HydrophobicContact CB-CG1 3.58Å; K169-V177 HydrophobicContact CD-CG1 4.32Å; K169-V177 HydrophobicContact CG-CG1 3.87Å; A172-V177 HydrophobicContact CB-CG2 4.13Å
178	R	94.7	Very high	95.2	Very high	73 Å²	73	65.2 Å²	65.2	28%	0.275	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.9	-177.9	-63.7	-172.4	178.6	94.9	-3.8	112	D146 Y170 G171 N173 V176	D146-R178 WeakPolarHBondContact OD1-CD 3.32Å; D146-R178 WeakPolarHBondContact OD2-CD 3.37Å; Y170-R178 PolarHBondContact N-O 2.76Å; G171-R178 PolarHBondContact N-O 2.9Å; G171-R178 PolarHBondContact O-N 3.16Å; N173-R178 PolarHBondContact O-NH1 2.73Å; V176-R178 HydrophobicContact CG1-CG 3.93Å
179	D	97.7	Very high	95	Very high	53 Å²	53	58 Å²	58	28%	0.283	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	145.8	168.3	-67.3	3.8	0	0	0	109.6	V147 V166 L167 R168 K169	V147-D179 HydrophobicContact CB-CB 4.28Å; V147-D179 HydrophobicContact CG1-CB 4.1Å; V147-D179 PolarHBondContact N-O 3.05Å; V166-D179 HydrophobicContact CG1-CB 3.98Å; L167-D179 CarbonylContact O-C 3.59Å; L167-D179 VanDerWaalsContact O-CA 3.28Å; L167-D179 WeakPolarHBondContact O-CA 3.45Å; R168-D179 WeakPolarHBondContact CA-OD1 3.35Å; K169-D179 PolarHBondContact N-OD1 3.18Å
180	K	97.9	Very high	94.8	Very high	29 Å²	29	54 Å²	54	13%	0.126	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.6	176.8	-63.3	-59.2	-171.8	-175.2	0	110.4	L144 V145 D146 V166 L167 Y170	L144-K180 HydrophobicContact CD2-CB 4.11Å; V145-K180 CarbonylContact O-C 3.52Å; V145-K180 VanDerWaalsContact O-CA 3.23Å; V145-K180 WeakPolarHBondContact O-CA 3.19Å; D146-K180 IonicContact OD2-NZ 3.37Å; D146-K180 PolarHBondContact OD2-NZ 3.38Å; V166-K180 CarbonylContact C-O 3.52Å; V166-K180 WeakPolarHBondContact CA-O 3.5Å; L167-K180 PolarHBondContact N-O 3Å; L167-K180 PolarHBondContact O-N 3.4Å; Y170-K180 HydrophobicContact CD1-CB 4.26Å; Y170-K180 HydrophobicContact CD1-CG 4.1Å
181	V	98.4	Very high	94.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.2	165.9	-177	0	0	0	0	107.3	V145 V147 Q153 R163 A165 V166	V145-V181 PolarHBondContact N-O 3.23Å; V145-V181 PolarHBondContact O-N 3.42Å; V147-V181 HydrophobicContact CB-CG2 4.4Å; V147-V181 HydrophobicContact CG2-CG2 4.21Å; Q153-V181 HydrophobicContact CG-CG2 4.49Å; R163-V181 HydrophobicContact CG-CG1 3.7Å; A165-V181 WeakPolarHBondContact O-CA 3.39Å; V166-V181 HydrophobicContact CG2-CG2 4.41Å
182	M	98.4	Very high	94.6	Very high	16 Å²	16	52 Å²	52	8%	0.079	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.5	170.5	179.5	59.1	86.1	0	0	108.7	E142 L144 E164 A165 L167	E142-M182 HydrophobicContact CB-SD 3.88Å; E142-M182 HydrophobicContact CG-SD 4.48Å; L144-M182 HydrophobicContact CD2-CE 3.5Å; L144-M182 VanDerWaalsContact CD2-CE 3.5Å; L144-M182 HydrophobicContact CD2-SD 4.03Å; L144-M182 HydrophobicContact CG-CE 4Å; L144-M182 HydrophobicContact CG-SD 4.39Å; E164-M182 HydrophobicContact CB-CG 4.39Å; E164-M182 PolarHBondContact N-O 3.01Å; E164-M182 WeakPolarHBondContact OE2-CG 3.47Å; A165-M182 PolarHBondContact O-N 2.91Å; L167-M182 HydrophobicContact CD1-CB 4.16Å; L167-M182 HydrophobicContact CD1-CE 4.08Å; L167-M182 HydrophobicContact CG-CB 4.24Å
183	C	98.7	Very high	94.2	Very high	6 Å²	6	60 Å²	60	4%	0.041	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	150.5	171.2	-61.6	0	0	0	0	109.7	E142 A143 L156 F161 T162	E142-C183 CarbonylContact C-O 3.51Å; E142-C183 VanDerWaalsContact CA-O 3.32Å; E142-C183 WeakPolarHBondContact CA-O 3.5Å; A143-C183 PolarHBondContact N-O 3.35Å; A143-C183 PolarHBondContact O-N 3.07Å; L156-C183 HydrophobicContact CD1-CB 3.84Å; F161-C183 HydrophobicContact CB-CB 4.2Å; F161-C183 HydrophobicContact CD1-CB 4.22Å; T162-C183 CarbonylContact O-C 3.46Å; T162-C183 WeakPolarHBondContact O-CA 3.46Å
184	S	98.4	Very high	94.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.007	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.2	-179.3	61.1	0	0	0	0	112.7	R140 V141 F161 T162 E164	R140-S184 PolarHBondContact NH1-OG 3.49Å; V141-S184 CarbonylContact O-C 3.57Å; V141-S184 WeakPolarHBondContact O-CA 3.43Å; F161-S184 CarbonylContact C-O 3.53Å; F161-S184 WeakPolarHBondContact CA-O 3.42Å; F161-S184 WeakPolarHBondContact CB-O 3.05Å; T162-S184 PolarHBondContact N-O 3.11Å; T162-S184 PolarHBondContact O-N 3.41Å; E164-S184 VanDerWaalsContact CD-OG 3.24Å; E164-S184 WeakPolarHBondContact OE1-CB 3.49Å; E164-S184 PolarHBondContact OE1-OG 3.2Å
185	F	98.6	Very high	94.7	Very high	5 Å²	5	61.8 Å²	61.8	2%	0.022	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.8	166.6	-167.5	-74.3	0	0	0	105.8	V128 F132 V141 F161 D189 V191	V128-F185 HydrophobicContact CB-CD1 4.08Å; V128-F185 HydrophobicContact CB-CE1 4.1Å; V128-F185 HydrophobicContact CB-CG 4.3Å; V128-F185 HydrophobicContact CB-CZ 4.37Å; V128-F185 HydrophobicContact CG1-CB 4.33Å; V128-F185 HydrophobicContact CG1-CD1 4.28Å; V128-F185 HydrophobicContact CG1-CD2 4.5Å; V128-F185 HydrophobicContact CG1-CG 4.12Å; V128-F185 HydrophobicContact CG2-CD2 4.33Å; V128-F185 HydrophobicContact CG2-CE1 4.22Å; V128-F185 HydrophobicContact CG2-CE2 4.05Å; V128-F185 HydrophobicContact CG2-CZ 3.98Å; F132-F185 AromaticContact CE2-CD1 3.55Å; F132-F185 HydrophobicContact CE2-CD1 3.55Å; F132-F185 AromaticContact CE2-CE1 3.87Å; F132-F185 HydrophobicContact CE2-CE1 3.87Å; F132-F185 AromaticContact CZ-CD1 3.96Å; F132-F185 HydrophobicContact CZ-CD1 3.96Å; V141-F185 PolarHBondContact N-O 2.89Å; V141-F185 PolarHBondContact O-N 2.76Å; F161-F185 HydrophobicContact CD1-CB 3.85Å; F161-F185 HydrophobicContact CD2-CB 3.96Å; F161-F185 AromaticContact CD2-CD2 3.94Å; F161-F185 HydrophobicContact CD2-CD2 3.94Å; F161-F185 HydrophobicContact CD2-CG 4.4Å; F161-F185 HydrophobicContact CE1-CB 3.66Å; F161-F185 HydrophobicContact CE2-CB 3.77Å; F161-F185 HydrophobicContact CE2-CD2 4.04Å; F161-F185 HydrophobicContact CE2-CG 4.21Å; F161-F185 HydrophobicContact CG-CB 3.98Å; F161-F185 HydrophobicContact CZ-CB 3.6Å; F161-F185 HydrophobicContact CZ-CG 4.43Å; F185-D189 HydrophobicContact CD1-CB 3.99Å; F185-D189 HydrophobicContact CD2-CB 4.27Å; F185-D189 HydrophobicContact CE1-CB 3.72Å; F185-D189 WeakPolarHBondContact CE1-O 3.4Å; F185-D189 HydrophobicContact CE2-CB 4.01Å; F185-D189 HydrophobicContact CG-CB 4.27Å; F185-D189 HydrophobicContact CZ-CB 3.74Å; F185-D189 WeakPolarHBondContact CZ-O 3.34Å; F185-V191 HydrophobicContact CE2-CG2 4.16Å; F185-V191 HydrophobicContact CZ-CG2 3.68Å
186	I	97.9	Very high	94.8	Very high	70 Å²	70	60.8 Å²	60.8	36%	0.359	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.4	-172.6	-59.5	176.1	0	0	0	107.8	E139 D189	E139-I186 WeakPolarHBondContact O-CA 3.24Å; E139-I186 WeakPolarHBondContact O-CG2 3.34Å; I186-D189 PolarHBondContact N-OD2 3.06Å; I186-D189 WeakPolarHBondContact O-CA 3.48Å; I186-D189 WeakPolarHBondContact O-CB 3.22Å; I186-D189 VanDerWaalsContact O-CG 3.24Å; I186-D189 PolarHBondContact O-N 2.99Å
187	D	93.1	Very high	95	Very high	79 Å²	79	60.6 Å²	60.6	42%	0.422	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	125.2	168.5	-170.5	16	0	0	0	109.3	F132 E139	F132-D187 HydrophobicContact CD1-CB 3.8Å; F132-D187 HydrophobicContact CE1-CB 3.9Å; F132-D187 HydrophobicContact CG-CB 4.27Å; F132-D187 HydrophobicContact CZ-CB 4.47Å; E139-D187 PolarHBondContact O-N 3.11Å
188	P	92.7	Very high	95	Very high	119 Å²	119	59.3 Å²	59.3	77%	0.773	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	cis	-112.1	54	9.3	42	-33.6	0	0	0	114.6	A190	P188-A190 PolarHBondContact O-N 3.03Å
189	D	94.3	Very high	95	Very high	61 Å²	61	58.4 Å²	58.4	33%	0.326	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-52.1	137	169.8	-73.8	-23.8	0	0	0	109.8	F185 I186	F185-D189 HydrophobicContact CD1-CB 3.99Å; F185-D189 HydrophobicContact CD2-CB 4.27Å; F185-D189 HydrophobicContact CE1-CB 3.72Å; F185-D189 WeakPolarHBondContact CE1-O 3.4Å; F185-D189 HydrophobicContact CE2-CB 4.01Å; F185-D189 HydrophobicContact CG-CB 4.27Å; F185-D189 HydrophobicContact CZ-CB 3.74Å; F185-D189 WeakPolarHBondContact CZ-O 3.34Å; I186-D189 PolarHBondContact N-OD2 3.06Å; I186-D189 WeakPolarHBondContact O-CA 3.48Å; I186-D189 WeakPolarHBondContact O-CB 3.22Å; I186-D189 VanDerWaalsContact O-CG 3.24Å; I186-D189 PolarHBondContact O-N 2.99Å
190	A	92.3	Very high	94.8	Very high	84 Å²	84	58.8 Å²	58.8	69%	0.694	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-82.8	133.9	-179.4	0	0	0	0	0	110.6	P188 P192	P188-A190 PolarHBondContact O-N 3.03Å; A190-P192 WeakPolarHBondContact O-CD 3.28Å
191	V	92.5	Very high	94.5	Very high	50 Å²	50	61.1 Å²	61.1	30%	0.303	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-73	120.9	168.7	-177.2	0	0	0	0	108.4	K125 V128 F185	K125-V191 HydrophobicContact CB-CG1 3.75Å; K125-V191 HydrophobicContact CD-CG1 3.77Å; K125-V191 HydrophobicContact CG-CG1 3.57Å; V128-V191 HydrophobicContact CG2-CG2 3.7Å; F185-V191 HydrophobicContact CE2-CG2 4.16Å; F185-V191 HydrophobicContact CZ-CG2 3.68Å
192	P	90.8	Very high	94.2	Very high	57 Å²	57	66.2 Å²	66.2	37%	0.37	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-61.5	154.2	177.3	-21.5	33	0	0	0	111.1	K125 A190	K125-P192 VanDerWaalsContact CE-O 3.22Å; K125-P192 WeakPolarHBondContact CE-O 3.49Å; K125-P192 PolarHBondContact NZ-O 3.21Å; A190-P192 WeakPolarHBondContact O-CD 3.28Å
193	E	83.1	Confident	93.8	Very high	246 Å²	246	70.7 Å²	70.7	100%	1.15	41%	0.406	S	S	*	.			trans	-61.9	0	171.5	-64.4	-176.6	173.2	0	0	112.4	K125	K125-E193 PolarHBondContact NZ-O 3.29Å; K125-E193 PolarHBondContact NZ-OXT 3.35Å

Retrieved 193 of 193 residues in 99.5 ms (Link to these results)

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