A0A077ZDF7_TRITR Loading...

Corrinoid adenosyltransferase MMAB

Converts cob(I)alamin to adenosylcobalamin (adenosylcob(III)alamin), a coenzyme for methylmalonyl-CoA mutase, therefore participates in the final step of the vitamin B12 conversion. Generates adenosylcobalamin (AdoCbl) and directly delivers the cofactor to MUT in a transfer that is stimulated by ATP-binding to MMAB and gated by MMAA.

AlphaFold DB , UniProt , Accession A0A077ZDF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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	34.2	Very low	43.9	Very low	245 Å²	245	127.1 Å²	127.1	100%	1.207	81%	0.808	S	S	*	*				0	133	0	-95.1	165.4	155.8	0	0	107.2	E3	M1-E3 PolarHBondContact O-N 3.45Å
2	N	37.8	Very low	45.4	Very low	174 Å²	174	133.7 Å²	133.7	93%	0.93	82%	0.815	S	S	*	*			trans	-56.8	128.4	-167.5	-74.3	-16.8	0	0	0	113
3	E	32.5	Very low	46.9	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.822	81%	0.81	S	S	*	*			trans	-135.6	136.7	163	-101.9	-172.2	-168.5	0	0	110.5	M1	M1-E3 PolarHBondContact O-N 3.45Å
4	T	39.7	Very low	47.8	Very low	130 Å²	130	137.6 Å²	137.6	80%	0.798	81%	0.811	S	S	*	*			trans	78.6	79.6	157.5	67.2	0	0	0	0	119.1
5	G	38.4	Very low	48.8	Very low	85 Å²	85	138.9 Å²	138.9	88%	0.876	80%	0.796	S	S	*	*			trans	-104.3	74.3	139.7	0	0	0	0	0	108.7	S7	G5-S7 PolarHBondContact O-N 3.02Å
6	G	38.5	Very low	50	Low	75 Å²	75	143.2 Å²	143.2	77%	0.773	80%	0.803	S	S	*	*			trans	-65.9	103.3	176.8	0	0	0	0	0	110	D8	G6-D8 VanDerWaalsContact C-N 3.34Å; G6-D8 PolarHBondContact O-N 3.32Å
7	S	51.5	Low	50.8	Low	112 Å²	112	147.1 Å²	147.1	78%	0.783	80%	0.803	S	S	*	*			trans	-68	98.1	161.3	59.4	0	0	0	0	107	G5 G9	G5-S7 PolarHBondContact O-N 3.02Å; S7-G9 PolarHBondContact O-N 2.87Å
8	D	56.7	Low	51.6	Low	126 Å²	126	145.8 Å²	145.8	67%	0.674	79%	0.788	S	S	*	*			trans	-51.2	111.7	166.7	176.2	-4.6	0	0	0	107.5	G6 T10	G6-D8 VanDerWaalsContact C-N 3.34Å; G6-D8 PolarHBondContact O-N 3.32Å; D8-T10 PolarHBondContact O-N 3.14Å; D8-T10 PolarHBondContact OD1-N 2.91Å; D8-T10 PolarHBondContact OD1-OG1 3.42Å; D8-T10 PolarHBondContact OD2-OG1 3.33Å
9	G	52.4	Low	52.2	Low	71 Å²	71	148.7 Å²	148.7	73%	0.732	79%	0.793	S	S	*	*			trans	-73.2	22.4	-177.3	0	0	0	0	0	113.2	S7 P11	S7-G9 PolarHBondContact O-N 2.87Å; G9-P11 WeakPolarHBondContact O-CD 3.47Å; G9-P11 VanDerWaalsContact O-N 3.14Å
10	T	49.9	Very low	53	Low	92 Å²	92	147.1 Å²	147.1	56%	0.564	78%	0.784	S	S	*	*			trans	-58.5	116.2	171	23	0	0	0	0	109	D8 K12	D8-T10 PolarHBondContact O-N 3.14Å; D8-T10 PolarHBondContact OD1-N 2.91Å; D8-T10 PolarHBondContact OD1-OG1 3.42Å; D8-T10 PolarHBondContact OD2-OG1 3.33Å; T10-K12 PolarHBondContact O-N 2.89Å; T10-K12 VanDerWaalsContact O-N 3.11Å
11	P	51.3	Low	53.8	Low	112 Å²	112	144.7 Å²	144.7	73%	0.727	76%	0.764	S	S	*	*			trans	-58.3	122.9	177.9	-19.3	30	0	0	0	108.5	G9 I13	G9-P11 WeakPolarHBondContact O-CD 3.47Å; G9-P11 VanDerWaalsContact O-N 3.14Å; P11-I13 VanDerWaalsContact C-N 3.32Å; P11-I13 PolarHBondContact O-N 2.75Å
12	K	61.7	Low	55.9	Low	206 Å²	206	134.5 Å²	134.5	90%	0.896	72%	0.722	S	S	*	*			trans	-61.4	100.7	169.3	-79.2	-177.6	178.9	174.1	0	107.2	T10 E14	T10-K12 PolarHBondContact O-N 2.89Å; T10-K12 VanDerWaalsContact O-N 3.11Å; K12-E14 PolarHBondContact O-N 3.27Å
13	I	65.1	Low	57.9	Low	146 Å²	146	130.4 Å²	130.4	75%	0.749	70%	0.703	S	S	*	*			trans	-59.3	105.9	174.4	-62	172.1	0	0	0	106.9	P11 R15	P11-I13 VanDerWaalsContact C-N 3.32Å; P11-I13 PolarHBondContact O-N 2.75Å; I13-R15 PolarHBondContact O-N 2.56Å
14	E	59.5	Low	60.2	Low	176 Å²	176	122.6 Å²	122.6	82%	0.822	67%	0.67	S	S	*	*			trans	-65.2	104.5	172.8	-88.5	-164.3	148.2	0	0	109.1	K12 K16	K12-E14 PolarHBondContact O-N 3.27Å; E14-K16 PolarHBondContact O-N 3.01Å
15	R	62.7	Low	62.5	Low	157 Å²	157	123 Å²	123	59%	0.592	67%	0.667	S	S	*	*			trans	-75.6	91.6	179	-68.5	179	178	161.8	-1.5	109.8	I13 W17	I13-R15 PolarHBondContact O-N 2.56Å; R15-W17 VanDerWaalsContact C-N 3.27Å; R15-W17 PolarHBondContact O-N 2.95Å
16	K	67.6	Low	64.9	Low	208 Å²	208	127.6 Å²	127.6	90%	0.904	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-35.3	179.6	-68.2	-175	177.4	-178.7	0	114.7	E14	E14-K16 PolarHBondContact O-N 3.01Å
17	W	65	Low	67.4	Low	209 Å²	209	125.2 Å²	125.2	79%	0.792	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-30.6	-169	-172.5	75.1	0	0	0	115.2	R15	R15-W17 VanDerWaalsContact C-N 3.27Å; R15-W17 PolarHBondContact O-N 2.95Å
18	K	63.9	Low	69.4	Low	124 Å²	124	122.6 Å²	122.6	54%	0.539	61%	0.614	S	S	.	*			trans	-165.6	109.5	-179.1	-179.6	169.9	-177.7	174.8	0	109.5	N20 R21	K18-N20 PolarHBondContact O-N 3.17Å; K18-R21 HydrophobicContact CB-CG 3.6Å; K18-R21 HydrophobicContact CD-CG 3.77Å; K18-R21 HydrophobicContact CG-CG 3.6Å; K18-R21 PolarHBondContact O-NH1 3.13Å
19	K	63.5	Low	71.1	Confident	202 Å²	202	118.5 Å²	118.5	88%	0.878	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-29	-171.2	-163.5	171.4	-178.7	176	0	113.7
20	N	67.6	Low	73	Confident	115 Å²	115	118.1 Å²	118.1	62%	0.615	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	34.3	-172.5	-59.7	-20.8	0	0	0	113.7	K18 T23	K18-N20 PolarHBondContact O-N 3.17Å; N20-T23 HydrophobicContact CB-CG2 4.36Å; N20-T23 PolarHBondContact O-OG1 3.21Å
21	R	70.7	Confident	75	Confident	98 Å²	98	114.1 Å²	114.1	37%	0.37	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.8	141.9	171.7	-62.8	-159.2	-60.5	-86.5	20.1	110.7	K18	K18-R21 HydrophobicContact CB-CG 3.6Å; K18-R21 HydrophobicContact CD-CG 3.77Å; K18-R21 HydrophobicContact CG-CG 3.6Å; K18-R21 PolarHBondContact O-NH1 3.13Å
22	G	77.6	Confident	76.7	Confident	31 Å²	31	114.3 Å²	114.3	32%	0.32	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	-6.3	178.5	0	0	0	0	0	115.1	G24 D25	G22-G24 PolarHBondContact O-N 3.41Å; G22-G24 VanDerWaalsContact O-N 3.08Å; G22-D25 VanDerWaalsContact CA-CG 3.46Å; G22-D25 WeakPolarHBondContact CA-OD1 3.2Å; G22-D25 WeakPolarHBondContact CA-OD2 3.01Å; G22-D25 VanDerWaalsContact O-CB 3.31Å; G22-D25 WeakPolarHBondContact O-CB 3.43Å; G22-D25 PolarHBondContact O-N 3.14Å
23	T	79.5	Confident	77.9	Confident	88 Å²	88	105.8 Å²	105.8	54%	0.54	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.6	175.2	53.7	0	0	0	0	112.5	N20 R36	N20-T23 HydrophobicContact CB-CG2 4.36Å; N20-T23 PolarHBondContact O-OG1 3.21Å; T23-R36 PolarHBondContact O-NH2 3.2Å
24	G	82.2	Confident	78.9	Confident	12 Å²	12	101.2 Å²	101.2	12%	0.124	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.3	176.9	0	0	0	0	0	116.3	G22 K26 G27 Q28 K39	G22-G24 PolarHBondContact O-N 3.41Å; G22-G24 VanDerWaalsContact O-N 3.08Å; G24-K26 PolarHBondContact O-N 2.87Å; G24-G27 PolarHBondContact O-N 2.71Å; G24-Q28 VanDerWaalsContact CA-O 3.31Å; G24-Q28 WeakPolarHBondContact CA-O 3.4Å; G24-K39 VanDerWaalsContact O-CE 3.31Å; G24-K39 WeakPolarHBondContact O-CE 3.48Å; G24-K39 PolarHBondContact O-NZ 2.85Å
25	D	87	Confident	80.4	Confident	138 Å²	138	96.1 Å²	96.1	74%	0.738	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.7	-170.5	-64.4	-10.2	0	0	0	112.4	G22 G27	G22-D25 VanDerWaalsContact CA-CG 3.46Å; G22-D25 WeakPolarHBondContact CA-OD1 3.2Å; G22-D25 WeakPolarHBondContact CA-OD2 3.01Å; G22-D25 VanDerWaalsContact O-CB 3.31Å; G22-D25 WeakPolarHBondContact O-CB 3.43Å; G22-D25 PolarHBondContact O-N 3.14Å; D25-G27 PolarHBondContact O-N 3.27Å
26	K	88.6	Confident	81.9	Confident	181 Å²	181	94 Å²	94	79%	0.787	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	13.6	175.5	-59.4	-172.6	179.5	-174.9	0	113.8	G24 Q28 W38	G24-K26 PolarHBondContact O-N 2.87Å; K26-Q28 VanDerWaalsContact C-N 3.3Å; K26-Q28 PolarHBondContact O-N 3.35Å; K26-W38 WeakPolarHBondContact O-CZ3 3.49Å
27	G	91.2	Very high	83.1	Confident	26 Å²	26	85.6 Å²	85.6	27%	0.268	43%	0.431	S	S	.	.	S	Bend	trans	80.9	0.2	179.7	0	0	0	0	0	115.4	G24 D25 K39	G24-G27 PolarHBondContact O-N 2.71Å; D25-G27 PolarHBondContact O-N 3.27Å; G27-K39 WeakPolarHBondContact O-CB 3.47Å; G27-K39 VanDerWaalsContact O-CG 3.31Å; G27-K39 WeakPolarHBondContact O-CG 3.08Å; G27-K39 PolarHBondContact O-N 2.84Å
28	Q	93.2	Very high	84.6	Confident	56 Å²	56	82.7 Å²	82.7	26%	0.262	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.3	177	-67.2	-177	-0	0	0	112	G24 K26 R36 R37 W38	G24-Q28 VanDerWaalsContact CA-O 3.31Å; G24-Q28 WeakPolarHBondContact CA-O 3.4Å; K26-Q28 VanDerWaalsContact C-N 3.3Å; K26-Q28 PolarHBondContact O-N 3.35Å; Q28-R36 PolarHBondContact O-NH2 2.79Å; Q28-R37 CarbonylContact C-O 3.59Å; Q28-R37 VanDerWaalsContact CA-O 3.23Å; Q28-R37 WeakPolarHBondContact CA-O 2.98Å; Q28-R37 WeakPolarHBondContact CB-O 3.21Å; Q28-W38 HydrophobicContact CG-CD2 3.76Å; Q28-W38 HydrophobicContact CG-CE3 3.76Å; Q28-W38 HydrophobicContact CG-CG 4.22Å; Q28-W38 HydrophobicContact CG-CH2 4.46Å; Q28-W38 HydrophobicContact CG-CZ2 4.47Å; Q28-W38 HydrophobicContact CG-CZ3 4.12Å
29	S	93.5	Very high	86	Confident	41 Å²	41	82.1 Å²	82.1	29%	0.287	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	162.3	172.9	-168.7	0	0	0	0	111	R36 R37 F44	S29-R36 WeakPolarHBondContact O-CA 3.49Å; S29-R37 PolarHBondContact N-O 3.08Å; S29-R37 PolarHBondContact O-N 3.24Å; S29-F44 VanDerWaalsContact CB-CZ 3.47Å
30	S	92.1	Very high	87.5	Confident	62 Å²	62	79 Å²	79	43%	0.434	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	136.7	175.8	-70.1	0	0	0	0	110.2	E35	S30-E35 CarbonylContact C-O 3.49Å; S30-E35 VanDerWaalsContact CA-O 3.31Å; S30-E35 WeakPolarHBondContact CA-O 2.88Å
31	L	91.4	Very high	88.9	Confident	9 Å²	9	75.7 Å²	75.7	5%	0.047	39%	0.393	C	S	.	.			trans	-69.9	172	164.8	-62.5	-174.3	0	0	0	110.8	T33 G34 E35 R37 I43 F44 P93	L31-T33 PolarHBondContact O-N 2.6Å; L31-G34 PolarHBondContact O-N 3.37Å; L31-E35 HydrophobicContact CB-CB 4.5Å; L31-E35 HydrophobicContact CD1-CB 4.3Å; L31-E35 PolarHBondContact N-O 2.79Å; L31-R37 HydrophobicContact CD1-CG 4.42Å; L31-I43 HydrophobicContact CD1-CD1 3.84Å; L31-I43 HydrophobicContact CD2-CB 4.33Å; L31-I43 HydrophobicContact CD2-CD1 4.29Å; L31-I43 HydrophobicContact CD2-CG2 3.5Å; L31-F44 HydrophobicContact CD2-CE1 3.88Å; L31-F44 HydrophobicContact CD2-CE2 4.42Å; L31-F44 HydrophobicContact CD2-CZ 3.7Å; L31-F44 HydrophobicContact CG-CZ 4.47Å; L31-P93 HydrophobicContact CD1-CG 3.89Å
32	F	86.7	Confident	90.2	Very high	115 Å²	115	76.6 Å²	76.6	50%	0.504	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-26.3	175.4	-168.5	-123.3	0	0	0	111.7	G34 A91 M102 T106	F32-G34 PolarHBondContact O-N 3.34Å; F32-A91 HydrophobicContact CB-CB 3.94Å; F32-A91 WeakPolarHBondContact CB-O 3.47Å; F32-A91 PolarHBondContact N-O 3.48Å; F32-A91 VanDerWaalsContact N-O 3.15Å; F32-M102 HydrophobicContact CD1-CE 3.86Å; F32-M102 HydrophobicContact CD1-CG 3.95Å; F32-M102 HydrophobicContact CD1-SD 3.77Å; F32-M102 HydrophobicContact CE1-CG 3.73Å; F32-M102 HydrophobicContact CE1-SD 3.92Å; F32-T106 HydrophobicContact CD1-CG2 3.95Å; F32-T106 HydrophobicContact CE1-CG2 3.89Å
33	T	87.1	Confident	91.1	Very high	28 Å²	28	75.1 Å²	75.1	17%	0.172	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.7	174.6	67.2	0	0	0	0	114.2	L31 E35 T92 S96 T98 M102	L31-T33 PolarHBondContact O-N 2.6Å; T33-E35 PolarHBondContact O-N 3.04Å; T33-E35 VanDerWaalsContact OG1-CB 3.31Å; T33-E35 WeakPolarHBondContact OG1-CB 3.49Å; T33-E35 PolarHBondContact OG1-N 3.37Å; T33-T92 HydrophobicContact CG2-CG2 4.01Å; T33-S96 VanDerWaalsContact CG2-OG 3.23Å; T33-S96 WeakPolarHBondContact CG2-OG 3.33Å; T33-T98 HydrophobicContact CG2-CG2 4.32Å; T33-M102 HydrophobicContact CG2-CE 3.33Å
34	G	87.6	Confident	92	Very high	50 Å²	50	72.6 Å²	72.6	52%	0.515	36%	0.362	S	S	.	.	S	Bend	trans	84	-12.9	-172.3	0	0	0	0	0	114.3	L31 F32 R36	L31-G34 PolarHBondContact O-N 3.37Å; F32-G34 PolarHBondContact O-N 3.34Å; G34-R36 PolarHBondContact O-N 2.79Å
35	E	90.5	Very high	92.7	Very high	68 Å²	68	77.7 Å²	77.7	32%	0.318	38%	0.383	S	S	.	.			trans	-56.4	133.7	173.4	-174.2	-175.2	155.7	0	0	110.5	S30 L31 T33 R37 S96	S30-E35 CarbonylContact C-O 3.49Å; S30-E35 VanDerWaalsContact CA-O 3.31Å; S30-E35 WeakPolarHBondContact CA-O 2.88Å; L31-E35 HydrophobicContact CB-CB 4.5Å; L31-E35 HydrophobicContact CD1-CB 4.3Å; L31-E35 PolarHBondContact N-O 2.79Å; T33-E35 PolarHBondContact O-N 3.04Å; T33-E35 VanDerWaalsContact OG1-CB 3.31Å; T33-E35 WeakPolarHBondContact OG1-CB 3.49Å; T33-E35 PolarHBondContact OG1-N 3.37Å; E35-R37 HydrophobicContact CG-CG 4.46Å; E35-R37 IonicContact OE1-CZ 3.44Å; E35-R37 VanDerWaalsContact OE1-CZ 3.31Å; E35-R37 IonicContact OE1-NE 3.85Å; E35-R37 PolarHBondContact OE1-NE 2.85Å; E35-R37 IonicContact OE1-NH2 3.63Å; E35-R37 PolarHBondContact OE1-NH2 3.19Å; E35-R37 VanDerWaalsContact OE1-NH2 3.11Å; E35-R37 IonicContact OE2-NH2 2.7Å; E35-S96 VanDerWaalsContact OE2-CB 3.24Å; E35-S96 WeakPolarHBondContact OE2-CB 3.4Å
36	R	93	Very high	93.3	Very high	112 Å²	112	71.1 Å²	71.1	42%	0.423	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.9	178.2	-64.5	-162.1	69.7	156.3	5.5	110.5	T23 Q28 S29 G34	T23-R36 PolarHBondContact O-NH2 3.2Å; Q28-R36 PolarHBondContact O-NH2 2.79Å; S29-R36 WeakPolarHBondContact O-CA 3.49Å; G34-R36 PolarHBondContact O-N 2.79Å
37	R	94	Very high	93.7	Very high	33 Å²	33	64.3 Å²	64.3	13%	0.125	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	160.2	171.9	-59	-166.7	-176	-177.9	8.3	110.3	Q28 S29 L31 E35 D41 I43 F44 E167	Q28-R37 CarbonylContact C-O 3.59Å; Q28-R37 VanDerWaalsContact CA-O 3.23Å; Q28-R37 WeakPolarHBondContact CA-O 2.98Å; Q28-R37 WeakPolarHBondContact CB-O 3.21Å; S29-R37 PolarHBondContact N-O 3.08Å; S29-R37 PolarHBondContact O-N 3.24Å; L31-R37 HydrophobicContact CD1-CG 4.42Å; E35-R37 HydrophobicContact CG-CG 4.46Å; E35-R37 IonicContact OE1-CZ 3.44Å; E35-R37 VanDerWaalsContact OE1-CZ 3.31Å; E35-R37 IonicContact OE1-NE 3.85Å; E35-R37 PolarHBondContact OE1-NE 2.85Å; E35-R37 IonicContact OE1-NH2 3.63Å; E35-R37 PolarHBondContact OE1-NH2 3.19Å; E35-R37 VanDerWaalsContact OE1-NH2 3.11Å; E35-R37 IonicContact OE2-NH2 2.7Å; R37-D41 HydrophobicContact CB-CB 4.04Å; R37-D41 WeakPolarHBondContact CD-OD2 3.05Å; R37-D41 IonicContact NH1-OD1 3.8Å; R37-I43 VanDerWaalsContact CZ-CD1 3.48Å; R37-F44 HydrophobicContact CB-CE2 3.83Å; R37-E167 IonicContact CZ-OE2 3.94Å; R37-E167 IonicContact NH1-OE2 3.97Å; R37-E167 PolarHBondContact NH1-OE2 3.37Å; R37-E167 IonicContact NH2-OE1 3.52Å; R37-E167 IonicContact NH2-OE2 2.74Å; R37-E167 PolarHBondContact NH2-OE2 2.98Å
38	W	95.7	Very high	94.1	Very high	148 Å²	148	65 Å²	65	56%	0.561	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	148.2	173.6	-68.9	98.6	0	0	0	110.3	K26 Q28 D40 D41 F44	K26-W38 WeakPolarHBondContact O-CZ3 3.49Å; Q28-W38 HydrophobicContact CG-CD2 3.76Å; Q28-W38 HydrophobicContact CG-CE3 3.76Å; Q28-W38 HydrophobicContact CG-CG 4.22Å; Q28-W38 HydrophobicContact CG-CH2 4.46Å; Q28-W38 HydrophobicContact CG-CZ2 4.47Å; Q28-W38 HydrophobicContact CG-CZ3 4.12Å; W38-D40 WeakPolarHBondContact CB-OD1 3.31Å; W38-D40 PolarHBondContact O-N 3.19Å; W38-D41 WeakPolarHBondContact O-CB 3.42Å; W38-D41 PolarHBondContact O-N 3.39Å; W38-F44 WeakPolarHBondContact O-CD2 3.48Å; W38-F44 WeakPolarHBondContact O-CE2 3.49Å
39	K	94.1	Very high	94.3	Very high	112 Å²	112	62.8 Å²	62.8	49%	0.487	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.4	-175.3	-80	175.6	171.5	174.9	0	114	G24 G27 D41 F44	G24-K39 VanDerWaalsContact O-CE 3.31Å; G24-K39 WeakPolarHBondContact O-CE 3.48Å; G24-K39 PolarHBondContact O-NZ 2.85Å; G27-K39 WeakPolarHBondContact O-CB 3.47Å; G27-K39 VanDerWaalsContact O-CG 3.31Å; G27-K39 WeakPolarHBondContact O-CG 3.08Å; G27-K39 PolarHBondContact O-N 2.84Å; K39-D41 VanDerWaalsContact C-N 3.32Å; K39-F44 WeakPolarHBondContact O-CB 3.43Å
40	D	94.7	Very high	94.6	Very high	136 Å²	136	61.1 Å²	61.1	73%	0.727	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	4.9	172.4	63.9	-22.2	0	0	0	112.8	W38	W38-D40 WeakPolarHBondContact CB-OD1 3.31Å; W38-D40 PolarHBondContact O-N 3.19Å
41	D	96.6	Very high	94.9	Very high	45 Å²	45	63.3 Å²	63.3	24%	0.241	31%	0.313	C	S	.	.	S	Bend	trans	-61.2	143.2	169.9	-171.9	-79	0	0	0	110.7	R37 W38 K39 I43 F44 E45	R37-D41 HydrophobicContact CB-CB 4.04Å; R37-D41 WeakPolarHBondContact CD-OD2 3.05Å; R37-D41 IonicContact NH1-OD1 3.8Å; W38-D41 WeakPolarHBondContact O-CB 3.42Å; W38-D41 PolarHBondContact O-N 3.39Å; K39-D41 VanDerWaalsContact C-N 3.32Å; D41-I43 PolarHBondContact O-N 3.4Å; D41-I43 VanDerWaalsContact O-N 3.09Å; D41-I43 WeakPolarHBondContact OD1-CB 3.35Å; D41-I43 PolarHBondContact OD1-N 3.3Å; D41-F44 HydrophobicContact CB-CD2 4.1Å; D41-F44 PolarHBondContact O-N 3Å; D41-E45 PolarHBondContact O-N 3.47Å; D41-E45 VanDerWaalsContact O-N 3.13Å
42	R	97.5	Very high	95.2	Very high	118 Å²	118	67 Å²	67	45%	0.445	33%	0.33	S	S	.	.	H	α-helix	trans	-56.3	-28.9	-177.6	-69.6	174.8	169.1	177.3	2.1	113	E45 A46 L162 E165	R42-E45 PolarHBondContact O-N 3.03Å; R42-A46 WeakPolarHBondContact O-CB 3.48Å; R42-A46 PolarHBondContact O-N 3.24Å; R42-L162 HydrophobicContact CB-CD2 3.72Å; R42-E165 IonicContact CZ-OE1 3.31Å; R42-E165 IonicContact NH1-OE1 3.11Å; R42-E165 PolarHBondContact NH1-OE1 3.45Å
43	I	97.5	Very high	95.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-47.9	173.4	-68.8	-179.1	0	0	0	111	L31 R37 D41 E45 A46 L47 V90 P93 L162	L31-I43 HydrophobicContact CD1-CD1 3.84Å; L31-I43 HydrophobicContact CD2-CB 4.33Å; L31-I43 HydrophobicContact CD2-CD1 4.29Å; L31-I43 HydrophobicContact CD2-CG2 3.5Å; R37-I43 VanDerWaalsContact CZ-CD1 3.48Å; D41-I43 PolarHBondContact O-N 3.4Å; D41-I43 VanDerWaalsContact O-N 3.09Å; D41-I43 WeakPolarHBondContact OD1-CB 3.35Å; D41-I43 PolarHBondContact OD1-N 3.3Å; I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 3.05Å; I43-A46 WeakPolarHBondContact O-CB 3.36Å; I43-A46 PolarHBondContact O-N 3.45Å; I43-L47 HydrophobicContact CG2-CD1 3.84Å; I43-L47 HydrophobicContact CG2-CG 4.21Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.23Å; I43-L47 PolarHBondContact O-N 3Å; I43-V90 HydrophobicContact CG2-CG1 4.07Å; I43-P93 HydrophobicContact CD1-CB 4.32Å; I43-P93 HydrophobicContact CD1-CG 3.23Å; I43-P93 HydrophobicContact CG1-CG 4.48Å; I43-L162 HydrophobicContact CG1-CD1 4.16Å; I43-L162 HydrophobicContact CG1-CD2 3.73Å
44	F	97.3	Very high	96.3	Very high	34 Å²	34	61 Å²	61	15%	0.149	30%	0.303	C	S	.	.	H	α-helix	trans	-71.4	-29.8	-179.2	-64.9	-62.9	0	0	0	112.2	S29 L31 R37 W38 K39 D41 L47 G48	S29-F44 VanDerWaalsContact CB-CZ 3.47Å; L31-F44 HydrophobicContact CD2-CE1 3.88Å; L31-F44 HydrophobicContact CD2-CE2 4.42Å; L31-F44 HydrophobicContact CD2-CZ 3.7Å; L31-F44 HydrophobicContact CG-CZ 4.47Å; R37-F44 HydrophobicContact CB-CE2 3.83Å; W38-F44 WeakPolarHBondContact O-CD2 3.48Å; W38-F44 WeakPolarHBondContact O-CE2 3.49Å; K39-F44 WeakPolarHBondContact O-CB 3.43Å; D41-F44 HydrophobicContact CB-CD2 4.1Å; D41-F44 PolarHBondContact O-N 3Å; F44-L47 HydrophobicContact CD1-CD1 3.94Å; F44-L47 HydrophobicContact CE1-CD1 4.33Å; F44-G48 PolarHBondContact O-N 3.43Å
45	E	97.9	Very high	96.9	Very high	120 Å²	120	61.7 Å²	61.7	56%	0.561	31%	0.305	S	S	*	.	H	α-helix	trans	-61.6	-45.9	168.8	-173.7	179.7	179.7	0	0	111.3	D41 R42 I43 G48 A49	D41-E45 PolarHBondContact O-N 3.47Å; D41-E45 VanDerWaalsContact O-N 3.13Å; R42-E45 PolarHBondContact O-N 3.03Å; I43-E45 VanDerWaalsContact C-N 3.32Å; I43-E45 PolarHBondContact O-N 3.05Å; E45-G48 PolarHBondContact O-N 3.39Å; E45-A49 WeakPolarHBondContact O-CB 3.14Å; E45-A49 PolarHBondContact O-N 2.69Å
46	A	98.5	Very high	97.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-49.2	175.3	0	0	0	0	0	112.2	R42 I43 G48 A49 T50 V90 S158 L159 L162	R42-A46 WeakPolarHBondContact O-CB 3.48Å; R42-A46 PolarHBondContact O-N 3.24Å; I43-A46 WeakPolarHBondContact O-CB 3.36Å; I43-A46 PolarHBondContact O-N 3.45Å; A46-G48 VanDerWaalsContact C-N 3.34Å; A46-G48 PolarHBondContact O-N 3.12Å; A46-A49 PolarHBondContact O-N 3.02Å; A46-T50 PolarHBondContact O-N 2.77Å; A46-T50 PolarHBondContact O-OG1 3.38Å; A46-T50 VanDerWaalsContact O-OG1 3.11Å; A46-V90 HydrophobicContact CB-CG1 3.91Å; A46-S158 WeakPolarHBondContact CA-OG 3.4Å; A46-L159 HydrophobicContact CB-CD1 3.73Å; A46-L159 HydrophobicContact CB-CG 4.37Å; A46-L162 HydrophobicContact CB-CD1 3.63Å
47	L	98.2	Very high	97.5	Very high	38 Å²	38	53.8 Å²	53.8	20%	0.199	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-44.3	177.4	-68.7	174	0	0	0	112.1	I43 F44 T50 D51 G87 V90 A91	I43-L47 HydrophobicContact CG2-CD1 3.84Å; I43-L47 HydrophobicContact CG2-CG 4.21Å; I43-L47 VanDerWaalsContact O-CG 3.26Å; I43-L47 WeakPolarHBondContact O-CG 3.23Å; I43-L47 PolarHBondContact O-N 3Å; F44-L47 HydrophobicContact CD1-CD1 3.94Å; F44-L47 HydrophobicContact CE1-CD1 4.33Å; L47-T50 WeakPolarHBondContact CA-OG1 3.36Å; L47-T50 PolarHBondContact O-N 2.7Å; L47-T50 PolarHBondContact O-OG1 3.07Å; L47-D51 WeakPolarHBondContact O-CB 3.43Å; L47-D51 PolarHBondContact O-N 3.44Å; L47-G87 WeakPolarHBondContact CD2-O 3.22Å; L47-V90 HydrophobicContact CD2-CB 3.92Å; L47-V90 HydrophobicContact CD2-CG1 3.79Å; L47-V90 HydrophobicContact CG-CG1 3.95Å; L47-A91 HydrophobicContact CD1-CB 4.18Å; L47-A91 HydrophobicContact CD2-CB 4.16Å
48	G	98.1	Very high	97.7	Very high	39 Å²	39	53.3 Å²	53.3	40%	0.402	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-41.7	177.6	0	0	0	0	0	112.5	F44 E45 A46 D51 E52	F44-G48 PolarHBondContact O-N 3.43Å; E45-G48 PolarHBondContact O-N 3.39Å; A46-G48 VanDerWaalsContact C-N 3.34Å; A46-G48 PolarHBondContact O-N 3.12Å; G48-D51 PolarHBondContact O-N 2.99Å; G48-E52 WeakPolarHBondContact O-CB 3.22Å; G48-E52 PolarHBondContact O-N 3.25Å
49	A	98.6	Very high	97.8	Very high	10 Å²	10	50.6 Å²	50.6	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-37	177.8	0	0	0	0	0	112.6	E45 A46 L53 A155	E45-A49 WeakPolarHBondContact O-CB 3.14Å; E45-A49 PolarHBondContact O-N 2.69Å; A46-A49 PolarHBondContact O-N 3.02Å; A49-L53 PolarHBondContact O-N 2.86Å; A49-L53 VanDerWaalsContact O-N 3.1Å; A49-A155 HydrophobicContact CB-CB 3.98Å
50	T	98.5	Very high	98	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.037	25%	0.249	C	C	.	.	H	α-helix	trans	-69	-37.4	174.3	49.6	0	0	0	0	112.5	A46 L47 L53 S54 I86 A155 L159	A46-T50 PolarHBondContact O-N 2.77Å; A46-T50 PolarHBondContact O-OG1 3.38Å; A46-T50 VanDerWaalsContact O-OG1 3.11Å; L47-T50 WeakPolarHBondContact CA-OG1 3.36Å; L47-T50 PolarHBondContact O-N 2.7Å; L47-T50 PolarHBondContact O-OG1 3.07Å; T50-L53 PolarHBondContact O-N 2.7Å; T50-S54 PolarHBondContact O-N 2.88Å; T50-I86 HydrophobicContact CG2-CG2 4.02Å; T50-A155 HydrophobicContact CG2-CB 4.21Å; T50-L159 HydrophobicContact CG2-CD1 4.16Å
51	D	98.5	Very high	98.2	Very high	108 Å²	108	42.6 Å²	42.6	58%	0.578	23%	0.229	S	C	*	.	H	α-helix	trans	-67.2	-43.1	175.8	-173.1	51.4	0	0	0	111.5	L47 G48 L53 S54 A55	L47-D51 WeakPolarHBondContact O-CB 3.43Å; L47-D51 PolarHBondContact O-N 3.44Å; G48-D51 PolarHBondContact O-N 2.99Å; D51-L53 VanDerWaalsContact C-N 3.31Å; D51-L53 PolarHBondContact O-N 2.65Å; D51-S54 WeakPolarHBondContact O-CB 3.46Å; D51-S54 PolarHBondContact O-N 3.36Å; D51-S54 VanDerWaalsContact O-N 3.15Å; D51-A55 PolarHBondContact O-N 2.88Å
52	E	98.7	Very high	98.2	Very high	86 Å²	86	45.9 Å²	45.9	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-59.1	-42.2	174.1	-172.2	-172.6	-168.2	0	0	111.7	G48 A55 A56 I151 R154	G48-E52 WeakPolarHBondContact O-CB 3.22Å; G48-E52 PolarHBondContact O-N 3.25Å; E52-A55 PolarHBondContact O-N 3.38Å; E52-A56 PolarHBondContact O-N 3.11Å; E52-I151 HydrophobicContact CB-CG2 4.4Å; E52-I151 HydrophobicContact CG-CG2 4.1Å; E52-R154 IonicContact OE1-CZ 3Å; E52-R154 IonicContact OE1-NH2 3.71Å; E52-R154 PolarHBondContact OE1-NH2 2.94Å; E52-R154 IonicContact OE2-CZ 3.74Å; E52-R154 IonicContact OE2-NE 3.66Å; E52-R154 PolarHBondContact OE2-NE 2.88Å; E52-R154 IonicContact OE2-NH2 3.75Å; E52-R154 PolarHBondContact OE2-NH2 3.11Å
53	L	98.8	Very high	98.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-46.8	173.9	178.1	60.3	0	0	0	111.6	A49 T50 D51 A55 A56 I57 L83 A148 I151 C152 L176 L179 L183	A49-L53 PolarHBondContact O-N 2.86Å; A49-L53 VanDerWaalsContact O-N 3.1Å; T50-L53 PolarHBondContact O-N 2.7Å; D51-L53 VanDerWaalsContact C-N 3.31Å; D51-L53 PolarHBondContact O-N 2.65Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.19Å; L53-A56 PolarHBondContact O-N 3.22Å; L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.38Å; L53-I57 HydrophobicContact CG-CD1 4.07Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3Å; L53-L83 HydrophobicContact CB-CD1 4.42Å; L53-L83 HydrophobicContact CD2-CD1 3.86Å; L53-L83 HydrophobicContact CD2-CD2 3.79Å; L53-L83 HydrophobicContact CG-CD1 3.83Å; L53-A148 HydrophobicContact CD1-CB 4.45Å; L53-A148 WeakPolarHBondContact CD1-O 3.39Å; L53-I151 HydrophobicContact CB-CG2 3.94Å; L53-I151 HydrophobicContact CD1-CB 4.3Å; L53-I151 HydrophobicContact CD1-CG2 4.26Å; L53-C152 HydrophobicContact CD1-CB 3.72Å; L53-C152 HydrophobicContact CD2-CB 3.74Å; L53-C152 HydrophobicContact CG-CB 4.37Å; L53-L176 HydrophobicContact CD2-CD2 4.09Å; L53-L179 HydrophobicContact CD2-CD2 3.86Å; L53-L183 HydrophobicContact CD1-CD1 4.39Å
54	S	98.7	Very high	98.2	Very high	17 Å²	17	41.8 Å²	41.8	12%	0.119	23%	0.229	C	C	.	.	H	α-helix	trans	-58.9	-44.1	178	-175.4	0	0	0	0	111.2	T50 D51 A56 I57 G58 Q80	T50-S54 PolarHBondContact O-N 2.88Å; D51-S54 WeakPolarHBondContact O-CB 3.46Å; D51-S54 PolarHBondContact O-N 3.36Å; D51-S54 VanDerWaalsContact O-N 3.15Å; S54-A56 PolarHBondContact O-N 3.48Å; S54-I57 PolarHBondContact O-N 3.21Å; S54-G58 PolarHBondContact O-N 3.47Å; S54-Q80 PolarHBondContact O-NE2 2.76Å; S54-Q80 PolarHBondContact OG-NE2 3.45Å
55	A	98.6	Very high	98.2	Very high	66 Å²	66	44 Å²	44	55%	0.545	24%	0.242	S	C	.	.	H	α-helix	trans	-62	-41.9	176.3	0	0	0	0	0	112.6	D51 E52 L53 I57 G58 K59	D51-A55 PolarHBondContact O-N 2.88Å; E52-A55 PolarHBondContact O-N 3.38Å; L53-A55 VanDerWaalsContact C-N 3.32Å; L53-A55 PolarHBondContact O-N 3.19Å; A55-I57 VanDerWaalsContact C-N 3.3Å; A55-I57 PolarHBondContact O-N 3.17Å; A55-G58 PolarHBondContact O-N 2.83Å; A55-K59 PolarHBondContact O-N 3.14Å
56	A	98.5	Very high	98.2	Very high	13 Å²	13	45 Å²	45	11%	0.107	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-38.4	175	0	0	0	0	0	112	E52 L53 S54 K59 M60 A148 I151	E52-A56 PolarHBondContact O-N 3.11Å; L53-A56 PolarHBondContact O-N 3.22Å; S54-A56 PolarHBondContact O-N 3.48Å; A56-K59 WeakPolarHBondContact O-CB 3.28Å; A56-K59 PolarHBondContact O-N 3.06Å; A56-M60 PolarHBondContact O-N 2.89Å; A56-A148 HydrophobicContact CB-CB 4.4Å; A56-I151 HydrophobicContact CB-CD1 3.77Å
57	I	98.7	Very high	98.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-39.5	173.8	-68.9	172.7	0	0	0	111.7	L53 S54 A55 K59 M60 R61 L76 I79 Q80 L83	L53-I57 HydrophobicContact CD1-CD1 4.16Å; L53-I57 HydrophobicContact CD1-CG1 4.38Å; L53-I57 HydrophobicContact CG-CD1 4.07Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3Å; S54-I57 PolarHBondContact O-N 3.21Å; A55-I57 VanDerWaalsContact C-N 3.3Å; A55-I57 PolarHBondContact O-N 3.17Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.35Å; I57-M60 HydrophobicContact CB-CE 4.16Å; I57-M60 HydrophobicContact CG1-CE 3.65Å; I57-M60 PolarHBondContact O-N 2.61Å; I57-R61 HydrophobicContact CG2-CG 4.43Å; I57-R61 WeakPolarHBondContact O-CG 3.43Å; I57-R61 PolarHBondContact O-N 3.05Å; I57-L76 HydrophobicContact CG2-CB 3.89Å; I57-L76 HydrophobicContact CG2-CD2 3.98Å; I57-L76 HydrophobicContact CG2-CG 4.42Å; I57-L76 WeakPolarHBondContact CG2-O 3.38Å; I57-I79 HydrophobicContact CD1-CG2 3.49Å; I57-I79 VanDerWaalsContact CD1-CG2 3.49Å; I57-Q80 HydrophobicContact CB-CG 4.09Å; I57-Q80 HydrophobicContact CG2-CG 3.61Å; I57-L83 HydrophobicContact CD1-CD1 3.68Å
58	G	98.4	Very high	98.1	Very high	24 Å²	24	47.4 Å²	47.4	25%	0.247	28%	0.276	C	S	.	.	H	α-helix	trans	-54.9	-41.4	173.9	0	0	0	0	0	113.4	S54 A55 R61 H62	S54-G58 PolarHBondContact O-N 3.47Å; A55-G58 PolarHBondContact O-N 2.83Å; G58-R61 PolarHBondContact O-N 3.48Å; G58-H62 PolarHBondContact O-N 3.47Å
59	K	98	Very high	98	Very high	91 Å²	91	46.1 Å²	46.1	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-59.4	-46.6	173.7	-179.1	-179.9	65.9	176.5	0	111.4	A55 A56 I57 H62 M63 C144 E147	A55-K59 PolarHBondContact O-N 3.14Å; A56-K59 WeakPolarHBondContact O-CB 3.28Å; A56-K59 PolarHBondContact O-N 3.06Å; I57-K59 VanDerWaalsContact C-N 3.29Å; I57-K59 PolarHBondContact O-N 3.35Å; K59-H62 PolarHBondContact O-N 3.32Å; K59-M63 HydrophobicContact CG-SD 4.3Å; K59-M63 WeakPolarHBondContact O-CG 3.05Å; K59-M63 PolarHBondContact O-N 2.95Å; K59-C144 WeakPolarHBondContact CE-SG 3.43Å; K59-E147 IonicContact NZ-OE2 2.91Å; K59-E147 PolarHBondContact NZ-OE2 3.45Å
60	M	98.1	Very high	98	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69.7	-34	-177.6	-62.4	-175.9	-62.7	0	0	113	A56 I57 H62 M63 C64 L76 L141 C144 M145 A148 L183	A56-M60 PolarHBondContact O-N 2.89Å; I57-M60 HydrophobicContact CB-CE 4.16Å; I57-M60 HydrophobicContact CG1-CE 3.65Å; I57-M60 PolarHBondContact O-N 2.61Å; M60-H62 VanDerWaalsContact C-N 3.32Å; M60-H62 PolarHBondContact O-N 3.04Å; M60-M63 PolarHBondContact O-N 3.28Å; M60-C64 WeakPolarHBondContact O-CB 3.01Å; M60-C64 PolarHBondContact O-N 3.31Å; M60-C64 PolarHBondContact O-SG 2.92Å; M60-L76 HydrophobicContact CB-CD1 4.07Å; M60-L141 HydrophobicContact CB-CD1 4.35Å; M60-C144 HydrophobicContact CG-CB 3.77Å; M60-C144 HydrophobicContact SD-CB 4.07Å; M60-C144 VanDerWaalsContact SD-O 3.36Å; M60-M145 HydrophobicContact CB-CE 4.16Å; M60-M145 HydrophobicContact CE-SD 3.85Å; M60-M145 WeakPolarHBondContact SD-CA 3.5Å; M60-M145 HydrophobicContact SD-CB 4.13Å; M60-M145 HydrophobicContact SD-CE 4.12Å; M60-M145 HydrophobicContact SD-CG 3.7Å; M60-M145 PolarHBondContact SD-N 3.42Å; M60-M145 VanDerWaalsContact SD-N 3.37Å; M60-M145 HydrophobicContact SD-SD 3.36Å; M60-A148 HydrophobicContact CE-CB 3.3Å; M60-A148 HydrophobicContact SD-CB 3.82Å; M60-L183 HydrophobicContact CE-CD2 3.94Å
61	R	97.5	Very high	98	Very high	80 Å²	80	53.6 Å²	53.6	30%	0.302	29%	0.293	S	S	.	.	H	α-helix	trans	-55.5	-47.9	172.8	-76.7	173.7	56.2	-145.1	-6.5	111.9	I57 G58 M63 C64 N65 L76 I77	I57-R61 HydrophobicContact CG2-CG 4.43Å; I57-R61 WeakPolarHBondContact O-CG 3.43Å; I57-R61 PolarHBondContact O-N 3.05Å; G58-R61 PolarHBondContact O-N 3.48Å; R61-M63 VanDerWaalsContact C-N 3.34Å; R61-M63 PolarHBondContact O-N 2.84Å; R61-C64 PolarHBondContact O-N 2.99Å; R61-N65 WeakPolarHBondContact O-CB 3.41Å; R61-N65 PolarHBondContact O-N 3.15Å; R61-L76 HydrophobicContact CG-CB 3.33Å; R61-L76 HydrophobicContact CG-CD1 3.9Å; R61-L76 HydrophobicContact CG-CG 4.3Å; R61-I77 VanDerWaalsContact CZ-CG1 3.46Å
62	H	97.4	Very high	98	Very high	114 Å²	114	48.5 Å²	48.5	53%	0.528	27%	0.265	S	S	.	.	H	α-helix	trans	-59.9	-47.3	179.3	-176.7	65.1	0	0	0	111.1	G58 K59 M60 C64 N65 E66	G58-H62 PolarHBondContact O-N 3.47Å; K59-H62 PolarHBondContact O-N 3.32Å; M60-H62 VanDerWaalsContact C-N 3.32Å; M60-H62 PolarHBondContact O-N 3.04Å; H62-C64 PolarHBondContact O-N 3.41Å; H62-N65 WeakPolarHBondContact O-CB 3.35Å; H62-N65 PolarHBondContact O-N 3.5Å; H62-E66 IonicContact CD2-OE2 3.38Å; H62-E66 IonicContact NE2-OE1 2.94Å; H62-E66 IonicContact NE2-OE2 4Å; H62-E66 PolarHBondContact O-N 3.12Å
63	M	98	Very high	98	Very high	32 Å²	32	45 Å²	45	16%	0.158	25%	0.25	C	S	.	.	H	α-helix	trans	-65.5	-38.3	178.9	-64.3	172.4	72.1	0	0	113.2	K59 M60 R61 N65 E66 A67 L140 L141	K59-M63 HydrophobicContact CG-SD 4.3Å; K59-M63 WeakPolarHBondContact O-CG 3.05Å; K59-M63 PolarHBondContact O-N 2.95Å; M60-M63 PolarHBondContact O-N 3.28Å; R61-M63 VanDerWaalsContact C-N 3.34Å; R61-M63 PolarHBondContact O-N 2.84Å; M63-N65 VanDerWaalsContact C-N 3.33Å; M63-E66 PolarHBondContact O-N 3.03Å; M63-A67 WeakPolarHBondContact O-CB 3.32Å; M63-A67 PolarHBondContact O-N 3.37Å; M63-L140 HydrophobicContact CE-CB 4.01Å; M63-L140 HydrophobicContact CE-CD2 3.92Å; M63-L140 HydrophobicContact CE-CG 3.61Å; M63-L141 HydrophobicContact CB-CD1 3.73Å; M63-L141 HydrophobicContact CE-CB 3.92Å; M63-L141 HydrophobicContact CE-CD1 4.32Å; M63-L141 HydrophobicContact SD-CD1 4.4Å
64	C	98.2	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-42.4	174	-69	0	0	0	0	110.9	M60 R61 H62 A67 G68 L69 T73	M60-C64 WeakPolarHBondContact O-CB 3.01Å; M60-C64 PolarHBondContact O-N 3.31Å; M60-C64 PolarHBondContact O-SG 2.92Å; R61-C64 PolarHBondContact O-N 2.99Å; H62-C64 PolarHBondContact O-N 3.41Å; C64-A67 CarbonylContact O-C 3.48Å; C64-A67 PolarHBondContact O-N 3.43Å; C64-G68 PolarHBondContact O-N 2.98Å; C64-G68 VanDerWaalsContact O-N 3.14Å; C64-L69 HydrophobicContact CB-CB 4.15Å; C64-L69 PolarHBondContact O-N 3.45Å; C64-T73 VanDerWaalsContact CB-OG1 3.24Å; C64-T73 WeakPolarHBondContact CB-OG1 3.3Å
65	N	96.6	Very high	97.9	Very high	80 Å²	80	53.5 Å²	53.5	43%	0.428	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-43.2	177.4	-174.8	84.4	0	0	0	112	R61 H62 M63 A67 G68 T73	R61-N65 WeakPolarHBondContact O-CB 3.41Å; R61-N65 PolarHBondContact O-N 3.15Å; H62-N65 WeakPolarHBondContact O-CB 3.35Å; H62-N65 PolarHBondContact O-N 3.5Å; M63-N65 VanDerWaalsContact C-N 3.33Å; N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3.16Å; N65-G68 PolarHBondContact O-N 3.39Å; N65-G68 VanDerWaalsContact O-N 3.15Å; N65-T73 HydrophobicContact CB-CG2 4.28Å; N65-T73 PolarHBondContact N-OG1 2.86Å
66	E	97.1	Very high	97.9	Very high	140 Å²	140	50.4 Å²	50.4	65%	0.654	26%	0.261	S	S	*	.	H	α-helix	trans	-63.2	-33.4	174.3	-70.9	-170.9	127	0	0	112.7	H62 M63 G68	H62-E66 IonicContact CD2-OE2 3.38Å; H62-E66 IonicContact NE2-OE1 2.94Å; H62-E66 IonicContact NE2-OE2 4Å; H62-E66 PolarHBondContact O-N 3.12Å; M63-E66 PolarHBondContact O-N 3.03Å; E66-G68 VanDerWaalsContact C-N 3.27Å; E66-G68 PolarHBondContact O-N 3.42Å
67	A	96.7	Very high	97.9	Very high	50 Å²	50	53.1 Å²	53.1	41%	0.413	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-1.2	175.9	0	0	0	0	0	114.1	M63 C64 N65 L69 T194	M63-A67 WeakPolarHBondContact O-CB 3.32Å; M63-A67 PolarHBondContact O-N 3.37Å; C64-A67 CarbonylContact O-C 3.48Å; C64-A67 PolarHBondContact O-N 3.43Å; N65-A67 VanDerWaalsContact C-N 3.28Å; N65-A67 PolarHBondContact O-N 3.16Å; A67-L69 VanDerWaalsContact C-N 3.31Å; A67-L69 HydrophobicContact CB-CD1 4.04Å; A67-L69 HydrophobicContact CB-CG 4.09Å; A67-L69 PolarHBondContact O-N 3.29Å; A67-T194 HydrophobicContact CB-CG2 4.32Å
68	G	97.6	Very high	97.9	Very high	39 Å²	39	55.9 Å²	55.9	40%	0.402	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	17.4	-177.3	0	0	0	0	0	114.8	C64 N65 E66 F70	C64-G68 PolarHBondContact O-N 2.98Å; C64-G68 VanDerWaalsContact O-N 3.14Å; N65-G68 PolarHBondContact O-N 3.39Å; N65-G68 VanDerWaalsContact O-N 3.15Å; E66-G68 VanDerWaalsContact C-N 3.27Å; E66-G68 PolarHBondContact O-N 3.42Å; G68-F70 VanDerWaalsContact C-N 3.31Å; G68-F70 PolarHBondContact O-N 3.34Å
69	L	97.8	Very high	97.9	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.068	28%	0.276	C	S	.	.			trans	-89.9	65	179.2	-58.4	171.7	0	0	0	110.1	C64 A67 V72 T73 L141 V190 K193 T194	C64-L69 HydrophobicContact CB-CB 4.15Å; C64-L69 PolarHBondContact O-N 3.45Å; A67-L69 VanDerWaalsContact C-N 3.31Å; A67-L69 HydrophobicContact CB-CD1 4.04Å; A67-L69 HydrophobicContact CB-CG 4.09Å; A67-L69 PolarHBondContact O-N 3.29Å; L69-V72 HydrophobicContact CB-CB 4.35Å; L69-V72 HydrophobicContact CB-CG2 4.37Å; L69-V72 PolarHBondContact O-N 3.29Å; L69-T73 PolarHBondContact O-N 3Å; L69-T73 PolarHBondContact O-OG1 3.02Å; L69-L141 HydrophobicContact CD1-CD2 3.92Å; L69-V190 HydrophobicContact CD1-CB 3.93Å; L69-V190 HydrophobicContact CD1-CG1 3.83Å; L69-K193 HydrophobicContact CD2-CB 3.61Å; L69-K193 HydrophobicContact CD2-CG 4.11Å; L69-T194 HydrophobicContact CD1-CG2 4.44Å
70	F	98	Very high	98	Very high	124 Å²	124	52 Å²	52	54%	0.544	27%	0.265	S	S	.	.	H	α-helix	trans	-67.1	-35.3	-173.3	-56.6	-59.7	0	0	0	112.9	G68 V72 T73 E74	G68-F70 VanDerWaalsContact C-N 3.31Å; G68-F70 PolarHBondContact O-N 3.34Å; F70-V72 PolarHBondContact O-N 3.45Å; F70-T73 WeakPolarHBondContact O-CB 3.44Å; F70-T73 PolarHBondContact O-N 3.47Å; F70-T73 VanDerWaalsContact O-N 3.15Å; F70-E74 WeakPolarHBondContact O-CG 3.36Å; F70-E74 PolarHBondContact O-N 3Å
71	D	97.6	Very high	98	Very high	49 Å²	49	55.3 Å²	55.3	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-55.6	-49.5	173.6	61.1	-34.2	0	0	0	111.5	T73 E74 K75 Y189	D71-T73 VanDerWaalsContact C-N 3.34Å; D71-T73 PolarHBondContact O-N 2.97Å; D71-E74 PolarHBondContact O-N 2.97Å; D71-K75 WeakPolarHBondContact O-CG 3.46Å; D71-K75 PolarHBondContact O-N 3.46Å; D71-Y189 PolarHBondContact OD2-OH 3.31Å
72	V	98.3	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-39.5	177	-176.3	0	0	0	0	110.3	L69 F70 E74 K75 L76 Y123 M145 L186 Y189 V190	L69-V72 HydrophobicContact CB-CB 4.35Å; L69-V72 HydrophobicContact CB-CG2 4.37Å; L69-V72 PolarHBondContact O-N 3.29Å; F70-V72 PolarHBondContact O-N 3.45Å; V72-E74 VanDerWaalsContact C-N 3.33Å; V72-E74 PolarHBondContact O-N 3.45Å; V72-K75 PolarHBondContact O-N 3.48Å; V72-L76 HydrophobicContact CG1-CD1 4.07Å; V72-L76 HydrophobicContact CG1-CG 4.14Å; V72-L76 VanDerWaalsContact O-CG 3.27Å; V72-L76 WeakPolarHBondContact O-CG 3.29Å; V72-L76 PolarHBondContact O-N 2.58Å; V72-Y123 HydrophobicContact CG2-CE1 4.1Å; V72-M145 HydrophobicContact CG1-CE 4.1Å; V72-L186 HydrophobicContact CG1-CD1 4.33Å; V72-L186 HydrophobicContact CG1-CD2 4.04Å; V72-L186 HydrophobicContact CG2-CD2 4.24Å; V72-Y189 HydrophobicContact CG2-CD1 3.8Å; V72-Y189 HydrophobicContact CG2-CE1 3.55Å; V72-V190 HydrophobicContact CG1-CG1 4.34Å; V72-V190 HydrophobicContact CG2-CG1 4.36Å
73	T	98.5	Very high	98.1	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.086	25%	0.25	C	S	.	.	H	α-helix	trans	-59.3	-43.1	179.5	-57.7	0	0	0	0	111.7	C64 N65 L69 F70 D71 L76 I77	C64-T73 VanDerWaalsContact CB-OG1 3.24Å; C64-T73 WeakPolarHBondContact CB-OG1 3.3Å; N65-T73 HydrophobicContact CB-CG2 4.28Å; N65-T73 PolarHBondContact N-OG1 2.86Å; L69-T73 PolarHBondContact O-N 3Å; L69-T73 PolarHBondContact O-OG1 3.02Å; F70-T73 WeakPolarHBondContact O-CB 3.44Å; F70-T73 PolarHBondContact O-N 3.47Å; F70-T73 VanDerWaalsContact O-N 3.15Å; D71-T73 VanDerWaalsContact C-N 3.34Å; D71-T73 PolarHBondContact O-N 2.97Å; T73-L76 PolarHBondContact O-N 2.86Å; T73-I77 HydrophobicContact CG2-CD1 4.49Å; T73-I77 WeakPolarHBondContact O-CG1 3.45Å; T73-I77 PolarHBondContact O-N 3.16Å
74	E	98.3	Very high	98.1	Very high	137 Å²	137	51.1 Å²	51.1	64%	0.64	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-46.1	175.7	-71.7	-177.9	151	0	0	111.6	F70 D71 V72 L76 I77 D78	F70-E74 WeakPolarHBondContact O-CG 3.36Å; F70-E74 PolarHBondContact O-N 3Å; D71-E74 PolarHBondContact O-N 2.97Å; V72-E74 VanDerWaalsContact C-N 3.33Å; V72-E74 PolarHBondContact O-N 3.45Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.37Å; E74-I77 WeakPolarHBondContact O-CB 3.44Å; E74-I77 PolarHBondContact O-N 2.81Å; E74-I77 VanDerWaalsContact O-N 3.11Å; E74-D78 PolarHBondContact O-N 2.99Å
75	K	98.5	Very high	98.1	Very high	58 Å²	58	54.8 Å²	54.8	25%	0.252	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-39	176.6	-62.9	-42.6	-170.3	179.3	0	112.7	D71 V72 I77 D78 I79 W119 Y123	D71-K75 WeakPolarHBondContact O-CG 3.46Å; D71-K75 PolarHBondContact O-N 3.46Å; V72-K75 PolarHBondContact O-N 3.48Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 2.9Å; K75-D78 WeakPolarHBondContact O-CB 3.42Å; K75-D78 PolarHBondContact O-N 3.42Å; K75-I79 WeakPolarHBondContact O-CD1 3.4Å; K75-I79 WeakPolarHBondContact O-CG1 3.5Å; K75-I79 PolarHBondContact O-N 2.84Å; K75-W119 HydrophobicContact CB-CE3 4.1Å; K75-W119 HydrophobicContact CB-CZ3 4.01Å; K75-W119 HydrophobicContact CD-CD2 3.84Å; K75-W119 HydrophobicContact CD-CE3 3.97Å; K75-W119 HydrophobicContact CD-CH2 3.78Å; K75-W119 HydrophobicContact CD-CZ2 3.61Å; K75-W119 HydrophobicContact CD-CZ3 3.95Å; K75-W119 VanDerWaalsContact CE-CE2 3.49Å; K75-W119 HydrophobicContact CG-CD2 4.25Å; K75-W119 HydrophobicContact CG-CE3 4.13Å; K75-W119 HydrophobicContact CG-CZ3 4.33Å; K75-W119 VanDerWaalsContact NZ-CE2 3.32Å; K75-Y123 HydrophobicContact CG-CE2 4.3Å; K75-Y123 VanDerWaalsContact CG-OH 3.26Å; K75-Y123 WeakPolarHBondContact CG-OH 3.36Å
76	L	98.7	Very high	98.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.6	-29.7	176.4	-66.3	175.6	0	0	0	112.8	I57 M60 R61 V72 T73 E74 I79 Q80 M145 L186	I57-L76 HydrophobicContact CG2-CB 3.89Å; I57-L76 HydrophobicContact CG2-CD2 3.98Å; I57-L76 HydrophobicContact CG2-CG 4.42Å; I57-L76 WeakPolarHBondContact CG2-O 3.38Å; M60-L76 HydrophobicContact CB-CD1 4.07Å; R61-L76 HydrophobicContact CG-CB 3.33Å; R61-L76 HydrophobicContact CG-CD1 3.9Å; R61-L76 HydrophobicContact CG-CG 4.3Å; V72-L76 HydrophobicContact CG1-CD1 4.07Å; V72-L76 HydrophobicContact CG1-CG 4.14Å; V72-L76 VanDerWaalsContact O-CG 3.27Å; V72-L76 WeakPolarHBondContact O-CG 3.29Å; V72-L76 PolarHBondContact O-N 2.58Å; T73-L76 PolarHBondContact O-N 2.86Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.37Å; L76-I79 HydrophobicContact CD2-CD1 4.3Å; L76-Q80 WeakPolarHBondContact O-CG 3.29Å; L76-Q80 PolarHBondContact O-N 3.48Å; L76-M145 HydrophobicContact CD1-CE 3.91Å; L76-M145 HydrophobicContact CD2-CE 4.18Å; L76-L186 HydrophobicContact CD2-CD1 4.27Å
77	I	98.6	Very high	98.2	Very high	70 Å²	70	44.9 Å²	44.9	36%	0.359	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-49.7	171.1	-70.7	164.8	0	0	0	109.6	R61 T73 E74 K75 I79 Q80 C81	R61-I77 VanDerWaalsContact CZ-CG1 3.46Å; T73-I77 HydrophobicContact CG2-CD1 4.49Å; T73-I77 WeakPolarHBondContact O-CG1 3.45Å; T73-I77 PolarHBondContact O-N 3.16Å; E74-I77 WeakPolarHBondContact O-CB 3.44Å; E74-I77 PolarHBondContact O-N 2.81Å; E74-I77 VanDerWaalsContact O-N 3.11Å; K75-I77 VanDerWaalsContact C-N 3.32Å; K75-I77 PolarHBondContact O-N 2.9Å; I77-I79 VanDerWaalsContact C-N 3.32Å; I77-I79 PolarHBondContact O-N 2.82Å; I77-Q80 WeakPolarHBondContact O-CB 3.25Å; I77-Q80 PolarHBondContact O-N 2.87Å; I77-Q80 VanDerWaalsContact O-N 3.07Å; I77-C81 PolarHBondContact O-N 3.47Å; I77-C81 VanDerWaalsContact O-N 3.11Å
78	D	98.6	Very high	98.3	Very high	58 Å²	58	44 Å²	44	31%	0.31	24%	0.238	S	C	.	.	H	α-helix	trans	-56.2	-49.4	179.9	-158.8	-9.5	0	0	0	110.7	E74 K75 Q80 C81 T82 W119	E74-D78 PolarHBondContact O-N 2.99Å; K75-D78 WeakPolarHBondContact O-CB 3.42Å; K75-D78 PolarHBondContact O-N 3.42Å; D78-Q80 VanDerWaalsContact C-N 3.27Å; D78-Q80 PolarHBondContact O-N 3.19Å; D78-Q80 VanDerWaalsContact O-N 3.17Å; D78-C81 CarbonylContact O-C 3.54Å; D78-C81 WeakPolarHBondContact O-CA 3.4Å; D78-C81 VanDerWaalsContact O-CB 3.3Å; D78-C81 WeakPolarHBondContact O-CB 3.37Å; D78-C81 PolarHBondContact O-N 3.3Å; D78-T82 PolarHBondContact O-N 3.49Å; D78-T82 PolarHBondContact O-OG1 2.86Å; D78-W119 HydrophobicContact CB-CH2 3.94Å; D78-W119 WeakPolarHBondContact OD2-CH2 3.48Å
79	I	98.8	Very high	98.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.1	-39.2	176.5	-66.8	159.4	0	0	0	112.3	I57 K75 L76 I77 T82 L83 W119 L179 L182	I57-I79 HydrophobicContact CD1-CG2 3.49Å; I57-I79 VanDerWaalsContact CD1-CG2 3.49Å; K75-I79 WeakPolarHBondContact O-CD1 3.4Å; K75-I79 WeakPolarHBondContact O-CG1 3.5Å; K75-I79 PolarHBondContact O-N 2.84Å; L76-I79 HydrophobicContact CD2-CD1 4.3Å; I77-I79 VanDerWaalsContact C-N 3.32Å; I77-I79 PolarHBondContact O-N 2.82Å; I79-T82 PolarHBondContact O-N 3.3Å; I79-L83 HydrophobicContact CG2-CD1 4.01Å; I79-L83 HydrophobicContact CG2-CG 4.25Å; I79-L83 WeakPolarHBondContact O-CB 3.36Å; I79-L83 WeakPolarHBondContact O-CG 3.45Å; I79-L83 PolarHBondContact O-N 3.09Å; I79-W119 HydrophobicContact CD1-CZ3 4.2Å; I79-W119 HydrophobicContact CG1-CZ3 3.96Å; I79-L179 HydrophobicContact CD1-CD1 3.74Å; I79-L179 HydrophobicContact CG1-CD1 4.03Å; I79-L179 HydrophobicContact CG2-CD1 3.63Å; I79-L179 HydrophobicContact CG2-CD2 3.7Å; I79-L179 HydrophobicContact CG2-CG 4.34Å; I79-L182 HydrophobicContact CD1-CD2 3.9Å
80	Q	98.6	Very high	98.3	Very high	34 Å²	34	41.9 Å²	41.9	16%	0.159	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-37	176.6	-72.9	-168.7	-75.3	0	0	112.6	S54 I57 L76 I77 D78 L83 Q84	S54-Q80 PolarHBondContact O-NE2 2.76Å; S54-Q80 PolarHBondContact OG-NE2 3.45Å; I57-Q80 HydrophobicContact CB-CG 4.09Å; I57-Q80 HydrophobicContact CG2-CG 3.61Å; L76-Q80 WeakPolarHBondContact O-CG 3.29Å; L76-Q80 PolarHBondContact O-N 3.48Å; I77-Q80 WeakPolarHBondContact O-CB 3.25Å; I77-Q80 PolarHBondContact O-N 2.87Å; I77-Q80 VanDerWaalsContact O-N 3.07Å; D78-Q80 VanDerWaalsContact C-N 3.27Å; D78-Q80 PolarHBondContact O-N 3.19Å; D78-Q80 VanDerWaalsContact O-N 3.17Å; Q80-L83 PolarHBondContact O-N 2.7Å; Q80-Q84 PolarHBondContact O-N 3.24Å
81	C	98.5	Very high	98.2	Very high	70 Å²	70	36.6 Å²	36.6	47%	0.473	20%	0.196	S	C	.	.	H	α-helix	trans	-62.3	-49	172	-70.8	0	0	0	0	110.4	I77 D78 L83 Q84 D85	I77-C81 PolarHBondContact O-N 3.47Å; I77-C81 VanDerWaalsContact O-N 3.11Å; D78-C81 CarbonylContact O-C 3.54Å; D78-C81 WeakPolarHBondContact O-CA 3.4Å; D78-C81 VanDerWaalsContact O-CB 3.3Å; D78-C81 WeakPolarHBondContact O-CB 3.37Å; D78-C81 PolarHBondContact O-N 3.3Å; C81-L83 VanDerWaalsContact C-N 3.3Å; C81-L83 PolarHBondContact O-N 3.03Å; C81-Q84 WeakPolarHBondContact O-CA 3.47Å; C81-Q84 VanDerWaalsContact O-CB 3.25Å; C81-Q84 WeakPolarHBondContact O-CB 3.48Å; C81-Q84 PolarHBondContact O-N 2.9Å; C81-D85 PolarHBondContact O-N 3.36Å
82	T	98.6	Very high	98.2	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.025	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-35.6	177.9	-37.4	0	0	0	0	112.5	D78 I79 Q84 D85 I86 F108 Y112 Y175	D78-T82 PolarHBondContact O-N 3.49Å; D78-T82 PolarHBondContact O-OG1 2.86Å; I79-T82 PolarHBondContact O-N 3.3Å; T82-Q84 VanDerWaalsContact C-N 3.32Å; T82-D85 WeakPolarHBondContact O-CB 3.42Å; T82-D85 PolarHBondContact O-N 2.83Å; T82-I86 WeakPolarHBondContact O-CG1 3.1Å; T82-I86 PolarHBondContact O-N 3.15Å; T82-F108 HydrophobicContact CG2-CE2 3.56Å; T82-F108 HydrophobicContact CG2-CZ 3.63Å; T82-Y112 HydrophobicContact CG2-CD2 4.42Å; T82-Y112 HydrophobicContact CG2-CG 4.23Å; T82-Y175 WeakPolarHBondContact CB-OH 3.18Å; T82-Y175 HydrophobicContact CG2-CD2 4.14Å; T82-Y175 HydrophobicContact CG2-CE1 3.92Å; T82-Y175 HydrophobicContact CG2-CE2 3.53Å; T82-Y175 PolarHBondContact OG1-OH 2.82Å
83	L	98.7	Very high	98	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-33.4	173.8	-74	173	0	0	0	112.4	L53 I57 I79 Q80 C81 D85 I86 G87 L176 L179	L53-L83 HydrophobicContact CB-CD1 4.42Å; L53-L83 HydrophobicContact CD2-CD1 3.86Å; L53-L83 HydrophobicContact CD2-CD2 3.79Å; L53-L83 HydrophobicContact CG-CD1 3.83Å; I57-L83 HydrophobicContact CD1-CD1 3.68Å; I79-L83 HydrophobicContact CG2-CD1 4.01Å; I79-L83 HydrophobicContact CG2-CG 4.25Å; I79-L83 WeakPolarHBondContact O-CB 3.36Å; I79-L83 WeakPolarHBondContact O-CG 3.45Å; I79-L83 PolarHBondContact O-N 3.09Å; Q80-L83 PolarHBondContact O-N 2.7Å; C81-L83 VanDerWaalsContact C-N 3.3Å; C81-L83 PolarHBondContact O-N 3.03Å; L83-D85 VanDerWaalsContact C-N 3.32Å; L83-I86 HydrophobicContact CD2-CD1 4.28Å; L83-I86 PolarHBondContact O-N 3.22Å; L83-G87 PolarHBondContact O-N 3.44Å; L83-L176 HydrophobicContact CD2-CD2 3.74Å; L83-L179 HydrophobicContact CD1-CD2 4.43Å; L83-L179 HydrophobicContact CD2-CD2 4.14Å; L83-L179 HydrophobicContact CG-CD2 4.49Å
84	Q	98.3	Very high	97.8	Very high	128 Å²	128	37.9 Å²	37.9	60%	0.598	20%	0.203	S	C	*	.	H	α-helix	trans	-64.8	-39.1	171.5	-172.8	65.9	41	0	0	110.9	Q80 C81 T82 G87 A88	Q80-Q84 PolarHBondContact O-N 3.24Å; C81-Q84 WeakPolarHBondContact O-CA 3.47Å; C81-Q84 VanDerWaalsContact O-CB 3.25Å; C81-Q84 WeakPolarHBondContact O-CB 3.48Å; C81-Q84 PolarHBondContact O-N 2.9Å; T82-Q84 VanDerWaalsContact C-N 3.32Å; Q84-G87 WeakPolarHBondContact O-CA 3.49Å; Q84-G87 PolarHBondContact O-N 2.97Å; Q84-A88 PolarHBondContact O-N 3.18Å
85	D	98.2	Very high	97.5	Very high	77 Å²	77	35 Å²	35	41%	0.412	20%	0.195	S	C	.	.	H	α-helix	trans	-67.4	-39.8	175.6	-64.1	-30.5	0	0	0	112	C81 T82 L83 G87 A88 H89 F108	C81-D85 PolarHBondContact O-N 3.36Å; T82-D85 WeakPolarHBondContact O-CB 3.42Å; T82-D85 PolarHBondContact O-N 2.83Å; L83-D85 VanDerWaalsContact C-N 3.32Å; D85-G87 VanDerWaalsContact C-N 3.27Å; D85-G87 PolarHBondContact O-N 3.5Å; D85-A88 PolarHBondContact O-N 3.45Å; D85-A88 VanDerWaalsContact O-N 3.16Å; D85-H89 WeakPolarHBondContact O-CB 3.08Å; D85-H89 PolarHBondContact O-N 3.14Å; D85-F108 HydrophobicContact CB-CD2 4.14Å; D85-F108 HydrophobicContact CB-CE2 4.26Å
86	I	98.5	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58	-43.4	168.9	-70.2	175.8	0	0	0	110.2	T50 T82 L83 A88 H89 V90 F108 L159 A172 Y175 L176	T50-I86 HydrophobicContact CG2-CG2 4.02Å; T82-I86 WeakPolarHBondContact O-CG1 3.1Å; T82-I86 PolarHBondContact O-N 3.15Å; L83-I86 HydrophobicContact CD2-CD1 4.28Å; L83-I86 PolarHBondContact O-N 3.22Å; I86-A88 VanDerWaalsContact C-N 3.33Å; I86-A88 PolarHBondContact O-N 3.03Å; I86-H89 WeakPolarHBondContact O-CB 3.47Å; I86-H89 PolarHBondContact O-N 3.42Å; I86-V90 HydrophobicContact CG2-CG2 4.1Å; I86-V90 WeakPolarHBondContact O-CB 3.38Å; I86-V90 VanDerWaalsContact O-CG2 3.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 3.27Å; I86-F108 HydrophobicContact CD1-CE1 4.28Å; I86-F108 HydrophobicContact CD1-CE2 4.08Å; I86-F108 HydrophobicContact CD1-CZ 3.75Å; I86-F108 HydrophobicContact CG1-CD1 4.44Å; I86-F108 HydrophobicContact CG1-CD2 3.78Å; I86-F108 HydrophobicContact CG1-CE1 4.06Å; I86-F108 HydrophobicContact CG1-CE2 3.34Å; I86-F108 HydrophobicContact CG1-CG 4.31Å; I86-F108 HydrophobicContact CG1-CZ 3.49Å; I86-F108 VanDerWaalsContact CG1-CZ 3.49Å; I86-L159 HydrophobicContact CG2-CD2 4.21Å; I86-A172 HydrophobicContact CD1-CB 4.49Å; I86-A172 HydrophobicContact CG1-CB 4.22Å; I86-A172 HydrophobicContact CG2-CB 4.22Å; I86-Y175 HydrophobicContact CD1-CD1 3.4Å; I86-Y175 HydrophobicContact CD1-CE1 4.01Å; I86-Y175 HydrophobicContact CD1-CG 4.08Å; I86-L176 HydrophobicContact CD1-CD2 4.22Å; I86-L176 HydrophobicContact CD1-CG 4.28Å
87	G	98	Very high	96.6	Very high	12 Å²	12	42.2 Å²	42.2	12%	0.124	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-43.9	175.1	0	0	0	0	0	112.4	L47 L83 Q84 D85 A91	L47-G87 WeakPolarHBondContact CD2-O 3.22Å; L83-G87 PolarHBondContact O-N 3.44Å; Q84-G87 WeakPolarHBondContact O-CA 3.49Å; Q84-G87 PolarHBondContact O-N 2.97Å; D85-G87 VanDerWaalsContact C-N 3.27Å; D85-G87 PolarHBondContact O-N 3.5Å; G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 3.07Å
88	A	97.2	Very high	96.2	Very high	31 Å²	31	40.3 Å²	40.3	26%	0.256	22%	0.218	S	C	.	.	H	α-helix	trans	-65.5	-39.3	176.8	0	0	0	0	0	112.6	Q84 D85 I86 A91 T92 T106	Q84-A88 PolarHBondContact O-N 3.18Å; D85-A88 PolarHBondContact O-N 3.45Å; D85-A88 VanDerWaalsContact O-N 3.16Å; I86-A88 VanDerWaalsContact C-N 3.33Å; I86-A88 PolarHBondContact O-N 3.03Å; A88-A91 PolarHBondContact O-N 3.49Å; A88-T92 WeakPolarHBondContact O-CB 3.46Å; A88-T92 PolarHBondContact O-N 2.99Å; A88-T92 PolarHBondContact O-OG1 3.35Å; A88-T106 HydrophobicContact CB-CG2 4.19Å
89	H	97.6	Very high	95.7	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-51.7	174.7	-179.1	63.8	0	0	0	111.8	D85 I86 A91 T92 T106 F108 D169	D85-H89 WeakPolarHBondContact O-CB 3.08Å; D85-H89 PolarHBondContact O-N 3.14Å; I86-H89 WeakPolarHBondContact O-CB 3.47Å; I86-H89 PolarHBondContact O-N 3.42Å; H89-A91 VanDerWaalsContact C-N 3.3Å; H89-A91 PolarHBondContact O-N 3.01Å; H89-T92 CarbonylContact O-C 3.55Å; H89-T92 PolarHBondContact O-N 2.89Å; H89-T106 WeakPolarHBondContact CA-O 3.37Å; H89-T106 WeakPolarHBondContact CB-O 3.49Å; H89-T106 PolarHBondContact ND1-O 3.06Å; H89-T106 VanDerWaalsContact ND1-O 3.1Å; H89-F108 HydrophobicContact CB-CB 3.97Å; H89-D169 PolarHBondContact NE2-N 2.89Å
90	V	97.8	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.4	-35.8	178.1	170.9	0	0	0	0	111.5	I43 A46 L47 I86 T92 L159 L162 I168	I43-V90 HydrophobicContact CG2-CG1 4.07Å; A46-V90 HydrophobicContact CB-CG1 3.91Å; L47-V90 HydrophobicContact CD2-CB 3.92Å; L47-V90 HydrophobicContact CD2-CG1 3.79Å; L47-V90 HydrophobicContact CG-CG1 3.95Å; I86-V90 HydrophobicContact CG2-CG2 4.1Å; I86-V90 WeakPolarHBondContact O-CB 3.38Å; I86-V90 VanDerWaalsContact O-CG2 3.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.4Å; I86-V90 PolarHBondContact O-N 3.27Å; V90-T92 PolarHBondContact O-N 3.14Å; V90-L159 HydrophobicContact CG2-CD2 4.07Å; V90-L159 HydrophobicContact CG2-CG 4.21Å; V90-L162 HydrophobicContact CG1-CD1 3.94Å; V90-I168 HydrophobicContact CG2-CG2 4.27Å
91	A	96.8	Very high	94.9	Very high	13 Å²	13	52.7 Å²	52.7	11%	0.107	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-1.9	174.9	0	0	0	0	0	113.9	F32 L47 G87 A88 H89	F32-A91 HydrophobicContact CB-CB 3.94Å; F32-A91 WeakPolarHBondContact CB-O 3.47Å; F32-A91 PolarHBondContact N-O 3.48Å; F32-A91 VanDerWaalsContact N-O 3.15Å; L47-A91 HydrophobicContact CD1-CB 4.18Å; L47-A91 HydrophobicContact CD2-CB 4.16Å; G87-A91 WeakPolarHBondContact O-CB 3.44Å; G87-A91 PolarHBondContact O-N 3.07Å; A88-A91 PolarHBondContact O-N 3.49Å; H89-A91 VanDerWaalsContact C-N 3.3Å; H89-A91 PolarHBondContact O-N 3.01Å
92	T	96.6	Very high	94.6	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.031	27%	0.272	C	S	.	.	S	Bend	trans	-127.1	69.5	178.1	-51.4	0	0	0	0	111.3	T33 A88 H89 V90 T98 M102 T106	T33-T92 HydrophobicContact CG2-CG2 4.01Å; A88-T92 WeakPolarHBondContact O-CB 3.46Å; A88-T92 PolarHBondContact O-N 2.99Å; A88-T92 PolarHBondContact O-OG1 3.35Å; H89-T92 CarbonylContact O-C 3.55Å; H89-T92 PolarHBondContact O-N 2.89Å; V90-T92 PolarHBondContact O-N 3.14Å; T92-T98 HydrophobicContact CG2-CG2 4.01Å; T92-M102 HydrophobicContact CG2-CE 3.41Å; T92-M102 VanDerWaalsContact CG2-CE 3.41Å; T92-T106 WeakPolarHBondContact CB-OG1 3.45Å; T92-T106 WeakPolarHBondContact CG2-OG1 3.48Å; T92-T106 WeakPolarHBondContact OG1-CG2 3.47Å
93	P	95.4	Very high	94.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.285	C	S	.	.			trans	-60.3	143.4	-174.1	-25	35.5	0	0	0	113.3	L31 I43 T95 S96 E167	L31-P93 HydrophobicContact CD1-CG 3.89Å; I43-P93 HydrophobicContact CD1-CB 4.32Å; I43-P93 HydrophobicContact CD1-CG 3.23Å; I43-P93 HydrophobicContact CG1-CG 4.48Å; P93-T95 PolarHBondContact O-N 3.08Å; P93-S96 WeakPolarHBondContact O-CB 3.46Å; P93-S96 PolarHBondContact O-N 2.76Å; P93-S96 PolarHBondContact O-OG 3.22Å; P93-E167 CarbonylContact C-O 3.58Å; P93-E167 WeakPolarHBondContact CA-O 3.25Å; P93-E167 HydrophobicContact CB-CB 4.14Å; P93-E167 WeakPolarHBondContact CB-OE2 3.25Å; P93-E167 WeakPolarHBondContact CG-OE2 3.46Å
94	L	94	Very high	94	Very high	86 Å²	86	62.4 Å²	62.4	45%	0.45	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33	178.3	-61.6	177.1	0	0	0	112.1	S96 R103 E167	L94-S96 VanDerWaalsContact C-N 3.31Å; L94-R103 PolarHBondContact O-NH1 2.89Å; L94-E167 PolarHBondContact N-O 2.93Å
95	T	91.7	Very high	93.9	Very high	77 Å²	77	63.5 Å²	63.5	47%	0.472	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.7	176.4	57.9	0	0	0	0	113.4	P93 E167	P93-T95 PolarHBondContact O-N 3.08Å; T95-E167 WeakPolarHBondContact CB-OE1 3.24Å; T95-E167 WeakPolarHBondContact CG2-OE1 3.45Å; T95-E167 PolarHBondContact OG1-OE1 3.42Å; T95-E167 PolarHBondContact OG1-OE2 2.97Å; T95-E167 VanDerWaalsContact OG1-OE2 3.12Å
96	S	89.9	Confident	93.8	Very high	5 Å²	5	60.2 Å²	60.2	4%	0.035	31%	0.307	C	S	.	.	S	Bend	trans	-76.2	149.8	-177.9	77.2	0	0	0	0	112.2	T33 E35 P93 L94 T98 R103	T33-S96 VanDerWaalsContact CG2-OG 3.23Å; T33-S96 WeakPolarHBondContact CG2-OG 3.33Å; E35-S96 VanDerWaalsContact OE2-CB 3.24Å; E35-S96 WeakPolarHBondContact OE2-CB 3.4Å; P93-S96 WeakPolarHBondContact O-CB 3.46Å; P93-S96 PolarHBondContact O-N 2.76Å; P93-S96 PolarHBondContact O-OG 3.22Å; L94-S96 VanDerWaalsContact C-N 3.31Å; S96-T98 PolarHBondContact O-N 3.26Å; S96-R103 PolarHBondContact O-NH1 3.22Å; S96-R103 PolarHBondContact O-NH2 3.23Å; S96-R103 VanDerWaalsContact O-NH2 3.09Å
97	K	87.9	Confident	93.7	Very high	203 Å²	203	66 Å²	66	88%	0.883	33%	0.334	S	S	*	.			trans	-78.2	108	172.2	-69	-176.3	-179	179.7	0	109.4
98	T	89.9	Confident	93.6	Very high	31 Å²	31	65.5 Å²	65.5	19%	0.19	33%	0.329	C	S	.	.			trans	-146.7	171	173.2	-170.9	0	0	0	0	111.3	T33 T92 S96 M102 R103	T33-T98 HydrophobicContact CG2-CG2 4.32Å; T92-T98 HydrophobicContact CG2-CG2 4.01Å; S96-T98 PolarHBondContact O-N 3.26Å; T98-M102 HydrophobicContact CG2-CE 3.99Å; T98-M102 WeakPolarHBondContact OG1-CE 3.31Å; T98-M102 PolarHBondContact OG1-SD 3.36Å; T98-M102 VanDerWaalsContact OG1-SD 3.37Å; T98-R103 HydrophobicContact CG2-CG 3.63Å; T98-R103 PolarHBondContact O-NH2 3.1Å
99	S	88.8	Confident	93.6	Very high	64 Å²	64	67.4 Å²	67.4	45%	0.448	33%	0.334	S	S	.	.			trans	-74.4	150	177.5	71.8	0	0	0	0	112.2	M101 M102 R103	S99-M101 PolarHBondContact O-N 3.35Å; S99-M102 PolarHBondContact O-N 2.85Å; S99-M102 VanDerWaalsContact O-N 3.08Å; S99-M102 WeakPolarHBondContact OG-CB 3.35Å; S99-M102 PolarHBondContact OG-N 3.44Å; S99-R103 PolarHBondContact O-N 2.66Å; S99-R103 VanDerWaalsContact O-N 3.08Å
100	D	89.9	Confident	93.6	Very high	130 Å²	130	70.1 Å²	70.1	70%	0.695	35%	0.349	S	S	*	.	H	α-helix	trans	-62.2	-32.7	176.7	-61.5	-28.4	0	0	0	112.2	M102 R103 K104	D100-M102 VanDerWaalsContact C-N 3.33Å; D100-M102 PolarHBondContact O-N 3.29Å; D100-R103 PolarHBondContact O-N 2.75Å; D100-R103 IonicContact OD1-NE 3.72Å; D100-K104 WeakPolarHBondContact O-CB 3.4Å; D100-K104 PolarHBondContact O-N 3.32Å
101	M	91.8	Very high	93.6	Very high	158 Å²	158	72.4 Å²	72.4	78%	0.778	37%	0.368	S	S	*	.	H	α-helix	trans	-58.5	-45.7	173.2	-176.9	-169.8	-69.5	0	0	111.2	S99 K104 H105	S99-M101 PolarHBondContact O-N 3.35Å; M101-K104 PolarHBondContact O-N 3.36Å; M101-H105 WeakPolarHBondContact O-CB 3.48Å; M101-H105 PolarHBondContact O-N 2.92Å
102	M	91.1	Very high	93.6	Very high	31 Å²	31	75.7 Å²	75.7	15%	0.153	38%	0.378	C	S	.	.	H	α-helix	trans	-69.9	-38.8	-179.8	-158.3	178.8	92.7	0	0	111.6	F32 T33 T92 T98 S99 D100 K104 H105 T106	F32-M102 HydrophobicContact CD1-CE 3.86Å; F32-M102 HydrophobicContact CD1-CG 3.95Å; F32-M102 HydrophobicContact CD1-SD 3.77Å; F32-M102 HydrophobicContact CE1-CG 3.73Å; F32-M102 HydrophobicContact CE1-SD 3.92Å; T33-M102 HydrophobicContact CG2-CE 3.33Å; T92-M102 HydrophobicContact CG2-CE 3.41Å; T92-M102 VanDerWaalsContact CG2-CE 3.41Å; T98-M102 HydrophobicContact CG2-CE 3.99Å; T98-M102 WeakPolarHBondContact OG1-CE 3.31Å; T98-M102 PolarHBondContact OG1-SD 3.36Å; T98-M102 VanDerWaalsContact OG1-SD 3.37Å; S99-M102 PolarHBondContact O-N 2.85Å; S99-M102 VanDerWaalsContact O-N 3.08Å; S99-M102 WeakPolarHBondContact OG-CB 3.35Å; S99-M102 PolarHBondContact OG-N 3.44Å; D100-M102 VanDerWaalsContact C-N 3.33Å; D100-M102 PolarHBondContact O-N 3.29Å; M102-K104 VanDerWaalsContact C-N 3.34Å; M102-K104 PolarHBondContact O-N 3.44Å; M102-H105 PolarHBondContact O-N 3.23Å; M102-T106 WeakPolarHBondContact O-CB 3.31Å; M102-T106 WeakPolarHBondContact O-CG2 3.4Å; M102-T106 PolarHBondContact O-N 3.11Å; M102-T106 PolarHBondContact O-OG1 2.93Å
103	R	92	Very high	93.7	Very high	75 Å²	75	75.7 Å²	75.7	28%	0.283	38%	0.378	S	S	.	.	H	α-helix	trans	-60.4	-43.8	173.7	-63.6	-177.3	-151.2	-85.9	-3.8	111.6	L94 S96 T98 S99 D100 H105 T106 H107	L94-R103 PolarHBondContact O-NH1 2.89Å; S96-R103 PolarHBondContact O-NH1 3.22Å; S96-R103 PolarHBondContact O-NH2 3.23Å; S96-R103 VanDerWaalsContact O-NH2 3.09Å; T98-R103 HydrophobicContact CG2-CG 3.63Å; T98-R103 PolarHBondContact O-NH2 3.1Å; S99-R103 PolarHBondContact O-N 2.66Å; S99-R103 VanDerWaalsContact O-N 3.08Å; D100-R103 PolarHBondContact O-N 2.75Å; D100-R103 IonicContact OD1-NE 3.72Å; R103-H105 VanDerWaalsContact C-N 3.34Å; R103-H105 PolarHBondContact O-N 2.83Å; R103-T106 CarbonylContact O-C 3.39Å; R103-T106 PolarHBondContact O-N 3.3Å; R103-T106 PolarHBondContact O-OG1 3.09Å; R103-H107 PolarHBondContact O-N 3.31Å
104	K	93.9	Very high	93.8	Very high	176 Å²	176	80 Å²	80	77%	0.765	40%	0.401	S	S	*	.	H	α-helix	trans	-64.7	-39	177.6	-173.6	176.7	179.2	179.6	0	112	D100 M101 M102 T106 H107	D100-K104 WeakPolarHBondContact O-CB 3.4Å; D100-K104 PolarHBondContact O-N 3.32Å; M101-K104 PolarHBondContact O-N 3.36Å; M102-K104 VanDerWaalsContact C-N 3.34Å; M102-K104 PolarHBondContact O-N 3.44Å; K104-T106 VanDerWaalsContact C-N 3.31Å; K104-T106 PolarHBondContact O-N 3.06Å; K104-H107 WeakPolarHBondContact O-CB 3.49Å
105	H	94.4	Very high	94.1	Very high	152 Å²	152	78.8 Å²	78.8	70%	0.704	39%	0.393	S	S	*	.	H	α-helix	trans	-69.8	-27.6	178.5	-175.7	61.9	0	0	0	113.4	M101 M102 R103	M101-H105 WeakPolarHBondContact O-CB 3.48Å; M101-H105 PolarHBondContact O-N 2.92Å; M102-H105 PolarHBondContact O-N 3.23Å; R103-H105 VanDerWaalsContact C-N 3.34Å; R103-H105 PolarHBondContact O-N 2.83Å
106	T	95.8	Very high	94.4	Very high	7 Å²	7	75.1 Å²	75.1	4%	0.043	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	14.2	-178.4	56.3	0	0	0	0	112.3	F32 A88 H89 T92 M102 R103 K104	F32-T106 HydrophobicContact CD1-CG2 3.95Å; F32-T106 HydrophobicContact CE1-CG2 3.89Å; A88-T106 HydrophobicContact CB-CG2 4.19Å; H89-T106 WeakPolarHBondContact CA-O 3.37Å; H89-T106 WeakPolarHBondContact CB-O 3.49Å; H89-T106 PolarHBondContact ND1-O 3.06Å; H89-T106 VanDerWaalsContact ND1-O 3.1Å; T92-T106 WeakPolarHBondContact CB-OG1 3.45Å; T92-T106 WeakPolarHBondContact CG2-OG1 3.48Å; T92-T106 WeakPolarHBondContact OG1-CG2 3.47Å; M102-T106 WeakPolarHBondContact O-CB 3.31Å; M102-T106 WeakPolarHBondContact O-CG2 3.4Å; M102-T106 PolarHBondContact O-N 3.11Å; M102-T106 PolarHBondContact O-OG1 2.93Å; R103-T106 CarbonylContact O-C 3.39Å; R103-T106 PolarHBondContact O-N 3.3Å; R103-T106 PolarHBondContact O-OG1 3.09Å; K104-T106 VanDerWaalsContact C-N 3.31Å; K104-T106 PolarHBondContact O-N 3.06Å
107	H	96.4	Very high	94.8	Very high	121 Å²	121	77.4 Å²	77.4	56%	0.56	38%	0.382	S	S	*	.			trans	-69.1	132.4	174.3	179.5	64.9	0	0	0	109.4	R103 K104	R103-H107 PolarHBondContact O-N 3.31Å; K104-H107 WeakPolarHBondContact O-CB 3.49Å
108	F	97.9	Very high	95.3	Very high	3 Å²	3	74.1 Å²	74.1	1%	0.013	37%	0.37	C	S	.	.			trans	-110.6	117.2	177.9	-169.3	-94.2	0	0	0	109.4	T82 D85 I86 H89 Y112 A171 A172 Y175	T82-F108 HydrophobicContact CG2-CE2 3.56Å; T82-F108 HydrophobicContact CG2-CZ 3.63Å; D85-F108 HydrophobicContact CB-CD2 4.14Å; D85-F108 HydrophobicContact CB-CE2 4.26Å; I86-F108 HydrophobicContact CD1-CE1 4.28Å; I86-F108 HydrophobicContact CD1-CE2 4.08Å; I86-F108 HydrophobicContact CD1-CZ 3.75Å; I86-F108 HydrophobicContact CG1-CD1 4.44Å; I86-F108 HydrophobicContact CG1-CD2 3.78Å; I86-F108 HydrophobicContact CG1-CE1 4.06Å; I86-F108 HydrophobicContact CG1-CE2 3.34Å; I86-F108 HydrophobicContact CG1-CG 4.31Å; I86-F108 HydrophobicContact CG1-CZ 3.49Å; I86-F108 VanDerWaalsContact CG1-CZ 3.49Å; H89-F108 HydrophobicContact CB-CB 3.97Å; F108-Y112 HydrophobicContact CD1-CD2 4.42Å; F108-Y112 HydrophobicContact CD2-CD2 4.09Å; F108-Y112 HydrophobicContact CD2-CE2 4.27Å; F108-Y112 HydrophobicContact CE1-CD2 4.04Å; F108-Y112 AromaticContact CE2-CD2 3.67Å; F108-Y112 HydrophobicContact CE2-CD2 3.67Å; F108-Y112 HydrophobicContact CE2-CE2 4.15Å; F108-Y112 HydrophobicContact CG-CD2 4.44Å; F108-Y112 AromaticContact CZ-CD2 3.65Å; F108-Y112 HydrophobicContact CZ-CD2 3.65Å; F108-Y112 HydrophobicContact CZ-CG 4.25Å; F108-A171 HydrophobicContact CD1-CB 3.96Å; F108-A171 WeakPolarHBondContact O-CB 3.19Å; F108-A172 HydrophobicContact CD1-CB 4.09Å; F108-A172 HydrophobicContact CE1-CB 4.43Å; F108-Y175 HydrophobicContact CE1-CG 4.18Å; F108-Y175 HydrophobicContact CZ-CD1 4.35Å; F108-Y175 HydrophobicContact CZ-CD2 4.07Å; F108-Y175 AromaticContact CZ-CG 3.87Å; F108-Y175 HydrophobicContact CZ-CG 3.87Å
109	D	97.3	Very high	95.7	Very high	70 Å²	70	73.5 Å²	73.5	37%	0.374	36%	0.364	S	S	.	.			trans	-80.9	145.9	-172.9	-156.9	-44.9	0	0	0	111.4	A111 Y112	D109-A111 PolarHBondContact O-N 2.76Å; D109-A111 PolarHBondContact OD1-N 3.18Å; D109-Y112 HydrophobicContact CB-CD2 4.08Å; D109-Y112 HydrophobicContact CB-CE2 3.87Å; D109-Y112 VanDerWaalsContact O-CD2 3.25Å; D109-Y112 WeakPolarHBondContact O-CD2 3.44Å
110	I	96.1	Very high	96.2	Very high	66 Å²	66	71.6 Å²	71.6	34%	0.338	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-25.4	174.4	-165.3	165.4	0	0	0	112	Y112 A113 A171	I110-Y112 PolarHBondContact O-N 2.91Å; I110-Y112 VanDerWaalsContact O-N 3.12Å; I110-A113 WeakPolarHBondContact O-CB 3.39Å; I110-A113 PolarHBondContact O-N 3.37Å; I110-A171 HydrophobicContact CB-CB 4.25Å
111	A	97.6	Very high	96.6	Very high	48 Å²	48	70.3 Å²	70.3	40%	0.397	34%	0.342	S	S	.	.	H	α-helix	trans	-57.4	-27.7	179.6	0	0	0	0	0	113.3	D109 A113 D114 E115	D109-A111 PolarHBondContact O-N 2.76Å; D109-A111 PolarHBondContact OD1-N 3.18Å; A111-A113 PolarHBondContact O-N 3.4Å; A111-D114 PolarHBondContact O-N 3.5Å; A111-E115 PolarHBondContact O-N 3.15Å
112	Y	98.3	Very high	96.9	Very high	82 Å²	82	70 Å²	70	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-30.6	174.9	-59.7	-50	0	0	0	112.6	T82 F108 D109 I110 L116 Y175	T82-Y112 HydrophobicContact CG2-CD2 4.42Å; T82-Y112 HydrophobicContact CG2-CG 4.23Å; F108-Y112 HydrophobicContact CD1-CD2 4.42Å; F108-Y112 HydrophobicContact CD2-CD2 4.09Å; F108-Y112 HydrophobicContact CD2-CE2 4.27Å; F108-Y112 HydrophobicContact CE1-CD2 4.04Å; F108-Y112 AromaticContact CE2-CD2 3.67Å; F108-Y112 HydrophobicContact CE2-CD2 3.67Å; F108-Y112 HydrophobicContact CE2-CE2 4.15Å; F108-Y112 HydrophobicContact CG-CD2 4.44Å; F108-Y112 AromaticContact CZ-CD2 3.65Å; F108-Y112 HydrophobicContact CZ-CD2 3.65Å; F108-Y112 HydrophobicContact CZ-CG 4.25Å; D109-Y112 HydrophobicContact CB-CD2 4.08Å; D109-Y112 HydrophobicContact CB-CE2 3.87Å; D109-Y112 VanDerWaalsContact O-CD2 3.25Å; D109-Y112 WeakPolarHBondContact O-CD2 3.44Å; I110-Y112 PolarHBondContact O-N 2.91Å; I110-Y112 VanDerWaalsContact O-N 3.12Å; Y112-L116 WeakPolarHBondContact O-CG 3.26Å; Y112-L116 PolarHBondContact O-N 3.47Å; Y112-Y175 WeakPolarHBondContact O-CD2 3.46Å; Y112-Y175 WeakPolarHBondContact O-CE2 3.34Å
113	A	98.4	Very high	97.2	Very high	5 Å²	5	68.7 Å²	68.7	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-73	-36.6	175.6	0	0	0	0	0	111.5	I110 A111 E115 L116 D117 Q174 R178	I110-A113 WeakPolarHBondContact O-CB 3.39Å; I110-A113 PolarHBondContact O-N 3.37Å; A111-A113 PolarHBondContact O-N 3.4Å; A113-E115 VanDerWaalsContact C-N 3.34Å; A113-L116 PolarHBondContact O-N 3.23Å; A113-D117 PolarHBondContact O-N 3.4Å; A113-Q174 HydrophobicContact CB-CB 4.29Å; A113-R178 HydrophobicContact CB-CG 4.34Å
114	D	98	Very high	97.5	Very high	90 Å²	90	66.9 Å²	66.9	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-38.6	177.1	-60.9	-28.7	0	0	0	110.9	A111 L116 D117 E118	A111-D114 PolarHBondContact O-N 3.5Å; D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.39Å; D114-D117 WeakPolarHBondContact O-CB 3.32Å; D114-D117 PolarHBondContact O-N 3.26Å; D114-D117 VanDerWaalsContact O-N 3.1Å; D114-E118 PolarHBondContact O-N 3.32Å; D114-E118 VanDerWaalsContact O-N 3.09Å
115	E	98.3	Very high	97.6	Very high	61 Å²	61	65.2 Å²	65.2	29%	0.285	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-38.5	173.1	177.7	173.8	-132.7	0	0	112.6	A111 A113 D117 E118 W119	A111-E115 PolarHBondContact O-N 3.15Å; A113-E115 VanDerWaalsContact C-N 3.34Å; E115-D117 VanDerWaalsContact C-N 3.33Å; E115-E118 WeakPolarHBondContact O-CB 3.5Å; E115-E118 PolarHBondContact O-N 3.09Å; E115-W119 HydrophobicContact CG-CD2 4.36Å; E115-W119 HydrophobicContact CG-CH2 4.32Å; E115-W119 HydrophobicContact CG-CZ2 3.54Å; E115-W119 PolarHBondContact O-N 3Å; E115-W119 WeakPolarHBondContact OE1-CZ2 3.39Å
116	L	98.7	Very high	97.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-35	175.3	-62.8	-170.9	0	0	0	112.3	Y112 A113 D114 E118 W119 I120 Y175 R178 L179 L182	Y112-L116 WeakPolarHBondContact O-CG 3.26Å; Y112-L116 PolarHBondContact O-N 3.47Å; A113-L116 PolarHBondContact O-N 3.23Å; D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.39Å; L116-E118 VanDerWaalsContact C-N 3.33Å; L116-W119 HydrophobicContact CD2-CD2 4.5Å; L116-W119 HydrophobicContact CD2-CE3 3.68Å; L116-W119 HydrophobicContact CD2-CH2 4.48Å; L116-W119 HydrophobicContact CD2-CZ3 3.66Å; L116-W119 PolarHBondContact O-N 3.46Å; L116-I120 WeakPolarHBondContact O-CB 3.47Å; L116-I120 WeakPolarHBondContact O-CD1 3.41Å; L116-I120 WeakPolarHBondContact O-CG1 3.48Å; L116-I120 PolarHBondContact O-N 3.32Å; L116-Y175 HydrophobicContact CD1-CD1 4.34Å; L116-Y175 HydrophobicContact CD1-CD2 3.62Å; L116-Y175 HydrophobicContact CD1-CE1 4.15Å; L116-Y175 HydrophobicContact CD1-CE2 3.36Å; L116-Y175 HydrophobicContact CD1-CG 4.11Å; L116-Y175 HydrophobicContact CD2-CE2 3.93Å; L116-Y175 HydrophobicContact CG-CD2 4.05Å; L116-Y175 HydrophobicContact CG-CE2 3.59Å; L116-R178 HydrophobicContact CB-CB 3.77Å; L116-R178 HydrophobicContact CD1-CB 3.87Å; L116-R178 HydrophobicContact CG-CB 4.46Å; L116-L179 HydrophobicContact CD1-CB 3.75Å; L116-L179 HydrophobicContact CD1-CD1 4.49Å; L116-L182 HydrophobicContact CD2-CD2 3.79Å
117	D	98.4	Very high	97.6	Very high	52 Å²	52	61.1 Å²	61.1	28%	0.278	31%	0.311	S	S	.	.	H	α-helix	trans	-62.8	-41.1	173.9	-83.7	-30.2	0	0	0	110.5	A113 D114 E115 W119 I120 D121 R178	A113-D117 PolarHBondContact O-N 3.4Å; D114-D117 WeakPolarHBondContact O-CB 3.32Å; D114-D117 PolarHBondContact O-N 3.26Å; D114-D117 VanDerWaalsContact O-N 3.1Å; E115-D117 VanDerWaalsContact C-N 3.33Å; D117-W119 PolarHBondContact O-N 2.94Å; D117-I120 WeakPolarHBondContact O-CB 3.38Å; D117-I120 PolarHBondContact O-N 2.81Å; D117-D121 PolarHBondContact O-N 2.98Å; D117-R178 VanDerWaalsContact CG-NE 3.33Å; D117-R178 WeakPolarHBondContact OD1-CD 3.22Å; D117-R178 IonicContact OD1-NE 3.78Å; D117-R178 PolarHBondContact OD1-NE 3.47Å; D117-R178 IonicContact OD2-CZ 2.65Å; D117-R178 IonicContact OD2-NE 2.84Å; D117-R178 PolarHBondContact OD2-NE 3.44Å; D117-R178 IonicContact OD2-NH2 3.65Å
118	E	98.5	Very high	97.4	Very high	135 Å²	135	58 Å²	58	63%	0.631	30%	0.301	S	S	*	.	H	α-helix	trans	-62	-41.2	173.9	-65.1	-179.7	-179.1	0	0	112.6	D114 E115 L116 D121 Y122	D114-E118 PolarHBondContact O-N 3.32Å; D114-E118 VanDerWaalsContact O-N 3.09Å; E115-E118 WeakPolarHBondContact O-CB 3.5Å; E115-E118 PolarHBondContact O-N 3.09Å; L116-E118 VanDerWaalsContact C-N 3.33Å; E118-D121 PolarHBondContact O-N 3.47Å; E118-Y122 WeakPolarHBondContact O-CB 3.46Å; E118-Y122 PolarHBondContact O-N 3.38Å
119	W	98.7	Very high	97.1	Very high	17 Å²	17	62.8 Å²	62.8	6%	0.064	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-38.4	176.9	-63.6	0.7	0	0	0	111.8	K75 D78 I79 E115 L116 D117 D121 Y122 Y123 L182	K75-W119 HydrophobicContact CB-CE3 4.1Å; K75-W119 HydrophobicContact CB-CZ3 4.01Å; K75-W119 HydrophobicContact CD-CD2 3.84Å; K75-W119 HydrophobicContact CD-CE3 3.97Å; K75-W119 HydrophobicContact CD-CH2 3.78Å; K75-W119 HydrophobicContact CD-CZ2 3.61Å; K75-W119 HydrophobicContact CD-CZ3 3.95Å; K75-W119 VanDerWaalsContact CE-CE2 3.49Å; K75-W119 HydrophobicContact CG-CD2 4.25Å; K75-W119 HydrophobicContact CG-CE3 4.13Å; K75-W119 HydrophobicContact CG-CZ3 4.33Å; K75-W119 VanDerWaalsContact NZ-CE2 3.32Å; D78-W119 HydrophobicContact CB-CH2 3.94Å; D78-W119 WeakPolarHBondContact OD2-CH2 3.48Å; I79-W119 HydrophobicContact CD1-CZ3 4.2Å; I79-W119 HydrophobicContact CG1-CZ3 3.96Å; E115-W119 HydrophobicContact CG-CD2 4.36Å; E115-W119 HydrophobicContact CG-CH2 4.32Å; E115-W119 HydrophobicContact CG-CZ2 3.54Å; E115-W119 PolarHBondContact O-N 3Å; E115-W119 WeakPolarHBondContact OE1-CZ2 3.39Å; L116-W119 HydrophobicContact CD2-CD2 4.5Å; L116-W119 HydrophobicContact CD2-CE3 3.68Å; L116-W119 HydrophobicContact CD2-CH2 4.48Å; L116-W119 HydrophobicContact CD2-CZ3 3.66Å; L116-W119 PolarHBondContact O-N 3.46Å; D117-W119 PolarHBondContact O-N 2.94Å; W119-D121 VanDerWaalsContact C-N 3.32Å; W119-D121 PolarHBondContact O-N 2.97Å; W119-Y122 PolarHBondContact O-N 3.34Å; W119-Y123 HydrophobicContact CB-CD2 4.34Å; W119-Y123 HydrophobicContact CB-CE2 4.25Å; W119-Y123 WeakPolarHBondContact O-CD2 3.27Å; W119-Y123 PolarHBondContact O-N 3.22Å; W119-L182 HydrophobicContact CB-CD1 4.02Å; W119-L182 HydrophobicContact CB-CD2 4.48Å; W119-L182 HydrophobicContact CE3-CD2 3.76Å; W119-L182 HydrophobicContact CZ3-CD2 4.46Å
120	I	98.7	Very high	96.7	Very high	24 Å²	24	63.5 Å²	63.5	12%	0.123	34%	0.336	C	S	.	.	H	α-helix	trans	-55	-51.7	173.3	-77.2	163.5	0	0	0	109.5	L116 D117 Y122 Y123 A124 D181 L182 V185	L116-I120 WeakPolarHBondContact O-CB 3.47Å; L116-I120 WeakPolarHBondContact O-CD1 3.41Å; L116-I120 WeakPolarHBondContact O-CG1 3.48Å; L116-I120 PolarHBondContact O-N 3.32Å; D117-I120 WeakPolarHBondContact O-CB 3.38Å; D117-I120 PolarHBondContact O-N 2.81Å; I120-Y122 PolarHBondContact O-N 3.15Å; I120-Y123 PolarHBondContact O-N 3.28Å; I120-A124 WeakPolarHBondContact O-CB 3.3Å; I120-A124 PolarHBondContact O-N 3.37Å; I120-D181 HydrophobicContact CD1-CB 4.02Å; I120-L182 HydrophobicContact CD1-CB 4.17Å; I120-L182 HydrophobicContact CG1-CB 3.77Å; I120-L182 HydrophobicContact CG1-CD1 4Å; I120-L182 HydrophobicContact CG1-CG 4.49Å; I120-V185 HydrophobicContact CG2-CG2 4.24Å
121	D	98.2	Very high	96.3	Very high	104 Å²	104	69.2 Å²	69.2	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-61.5	-43.9	179.1	-76.6	-16.4	0	0	0	111.6	D117 E118 W119 A124 N125	D117-D121 PolarHBondContact O-N 2.98Å; E118-D121 PolarHBondContact O-N 3.47Å; W119-D121 VanDerWaalsContact C-N 3.32Å; W119-D121 PolarHBondContact O-N 2.97Å; D121-A124 PolarHBondContact O-N 3.24Å; D121-N125 WeakPolarHBondContact O-CB 3.13Å; D121-N125 PolarHBondContact O-N 2.85Å; D121-N125 PolarHBondContact O-ND2 3.14Å
122	Y	98.2	Very high	95.8	Very high	151 Å²	151	71.4 Å²	71.4	59%	0.592	36%	0.361	S	S	*	.	H	α-helix	trans	-57.1	-53.2	178.1	177.5	-96.6	0	0	0	112.5	E118 W119 I120	E118-Y122 WeakPolarHBondContact O-CB 3.46Å; E118-Y122 PolarHBondContact O-N 3.38Å; W119-Y122 PolarHBondContact O-N 3.34Å; I120-Y122 PolarHBondContact O-N 3.15Å
123	Y	98.4	Very high	95.5	Very high	3 Å²	3	75.4 Å²	75.4	1%	0.012	38%	0.381	C	S	.	.	H	α-helix	trans	-74.1	-32.9	-178.4	-68.6	-66.5	0	0	0	112.4	V72 K75 W119 I120 N125 D126 L182 L186 Y189	V72-Y123 HydrophobicContact CG2-CE1 4.1Å; K75-Y123 HydrophobicContact CG-CE2 4.3Å; K75-Y123 VanDerWaalsContact CG-OH 3.26Å; K75-Y123 WeakPolarHBondContact CG-OH 3.36Å; W119-Y123 HydrophobicContact CB-CD2 4.34Å; W119-Y123 HydrophobicContact CB-CE2 4.25Å; W119-Y123 WeakPolarHBondContact O-CD2 3.27Å; W119-Y123 PolarHBondContact O-N 3.22Å; I120-Y123 PolarHBondContact O-N 3.28Å; Y123-N125 VanDerWaalsContact C-N 3.3Å; Y123-N125 PolarHBondContact O-N 3.2Å; Y123-D126 PolarHBondContact O-N 2.97Å; Y123-L182 HydrophobicContact CD2-CD1 4.03Å; Y123-L186 HydrophobicContact CD1-CD2 4.04Å; Y123-L186 HydrophobicContact CD2-CD2 3.6Å; Y123-L186 HydrophobicContact CE1-CD2 4.1Å; Y123-L186 HydrophobicContact CE2-CD2 3.69Å; Y123-L186 HydrophobicContact CG-CD2 3.8Å; Y123-Y189 AromaticContact CD1-CD1 3.74Å; Y123-Y189 HydrophobicContact CD1-CD1 3.74Å; Y123-Y189 AromaticContact CD1-CD2 3.88Å; Y123-Y189 HydrophobicContact CD1-CD2 3.88Å; Y123-Y189 AromaticContact CD1-CE1 3.66Å; Y123-Y189 HydrophobicContact CD1-CE1 3.66Å; Y123-Y189 AromaticContact CD1-CE2 3.81Å; Y123-Y189 HydrophobicContact CD1-CE2 3.81Å; Y123-Y189 AromaticContact CD1-CG 3.84Å; Y123-Y189 HydrophobicContact CD1-CG 3.84Å; Y123-Y189 AromaticContact CD1-CZ 3.68Å; Y123-Y189 HydrophobicContact CE1-CD1 4.09Å; Y123-Y189 AromaticContact CE1-CE1 3.69Å; Y123-Y189 HydrophobicContact CE1-CE1 3.69Å; Y123-Y189 HydrophobicContact CE1-CE2 4.46Å; Y123-Y189 AromaticContact CE1-CZ 3.88Å
124	A	97.3	Very high	95.2	Very high	38 Å²	38	76.2 Å²	76.2	31%	0.314	38%	0.384	S	S	.	.	H	α-helix	trans	-66.9	-30.2	178.2	0	0	0	0	0	112.8	I120 D121 D126 L127 V185	I120-A124 WeakPolarHBondContact O-CB 3.3Å; I120-A124 PolarHBondContact O-N 3.37Å; D121-A124 PolarHBondContact O-N 3.24Å; A124-D126 PolarHBondContact O-N 3.38Å; A124-L127 WeakPolarHBondContact O-CB 3.43Å; A124-L127 PolarHBondContact O-N 2.83Å; A124-V185 HydrophobicContact CB-CG1 4.19Å
125	N	97	Very high	95	Very high	141 Å²	141	75.6 Å²	75.6	75%	0.754	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.8	177.8	-79.2	-33.3	0	0	0	114	D121 Y123	D121-N125 WeakPolarHBondContact O-CB 3.13Å; D121-N125 PolarHBondContact O-N 2.85Å; D121-N125 PolarHBondContact O-ND2 3.14Å; Y123-N125 VanDerWaalsContact C-N 3.3Å; Y123-N125 PolarHBondContact O-N 3.2Å
126	D	94.9	Very high	94.8	Very high	52 Å²	52	76.1 Å²	76.1	28%	0.278	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	0.6	174.6	-167.9	21.4	0	0	0	112.9	Y123 A124 Y189 R192 K193	Y123-D126 PolarHBondContact O-N 2.97Å; A124-D126 PolarHBondContact O-N 3.38Å; D126-Y189 HydrophobicContact CB-CD2 4.39Å; D126-Y189 HydrophobicContact CB-CE2 4.21Å; D126-R192 VanDerWaalsContact O-CD 3.31Å; D126-R192 WeakPolarHBondContact O-CD 3.48Å; D126-R192 PolarHBondContact O-NE 3.19Å; D126-R192 PolarHBondContact O-NH2 3.36Å; D126-R192 IonicContact OD1-NE 3.34Å; D126-R192 IonicContact OD1-NH2 3.57Å; D126-K193 WeakPolarHBondContact OD2-CE 3.35Å; D126-K193 IonicContact OD2-NZ 3.19Å; D126-K193 PolarHBondContact OD2-NZ 3.03Å
127	L	95.4	Very high	94.4	Very high	21 Å²	21	76.9 Å²	76.9	11%	0.11	40%	0.403	C	S	.	.	S	Bend	trans	-97.4	145.6	-176.3	-67.2	176.9	0	0	0	112.9	A124 V185 R188 R192	A124-L127 WeakPolarHBondContact O-CB 3.43Å; A124-L127 PolarHBondContact O-N 2.83Å; L127-V185 HydrophobicContact CD1-CG1 4Å; L127-R188 HydrophobicContact CD1-CB 3.62Å; L127-R188 HydrophobicContact CD1-CG 4.42Å; L127-R188 HydrophobicContact CD2-CB 3.82Å; L127-R188 HydrophobicContact CG-CB 4.39Å; L127-R192 HydrophobicContact CD2-CB 4.48Å
128	P	92.2	Very high	94	Very high	54 Å²	54	75.9 Å²	75.9	35%	0.351	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-64.3	142.3	167.2	27.8	-30.4	0	0	0	109.5	L130 R188	P128-L130 PolarHBondContact O-N 3.44Å; P128-R188 PolarHBondContact O-NH1 2.93Å; P128-R188 PolarHBondContact O-NH2 3.39Å; P128-R188 VanDerWaalsContact O-NH2 3.08Å
129	P	90.7	Very high	93.8	Very high	104 Å²	104	70.8 Å²	70.8	68%	0.675	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-53.3	133.9	179.5	-26.9	33.3	0	0	0	112.1	K131	P129-K131 PolarHBondContact O-N 3.42Å
130	L	89.1	Confident	93.7	Very high	86 Å²	86	76.1 Å²	76.1	45%	0.45	41%	0.412	S	S	.	.			trans	-74.6	97.6	179.2	-170.6	70.2	0	0	0	110.1	P128 M132 I134 F184	P128-L130 PolarHBondContact O-N 3.44Å; L130-M132 WeakPolarHBondContact CD1-O 3.48Å; L130-I134 HydrophobicContact CD1-CG2 3.78Å; L130-F184 HydrophobicContact CD2-CE1 4.07Å; L130-F184 HydrophobicContact CD2-CZ 3.98Å
131	K	87.3	Confident	93.6	Very high	185 Å²	185	75.4 Å²	75.4	80%	0.804	41%	0.408	S	S	*	.			trans	-91.5	-20.7	-179.6	-63.7	178.4	-174.8	175.8	0	113.7	P129	P129-K131 PolarHBondContact O-N 3.42Å
132	M	87.9	Confident	93.5	Very high	94 Å²	94	70.5 Å²	70.5	46%	0.463	38%	0.381	S	S	.	.	S	Bend	trans	-139.9	155.4	-176.9	-64.4	-175.9	-72.3	0	0	109.1	L130 I134 A200 I228	L130-M132 WeakPolarHBondContact CD1-O 3.48Å; M132-I134 PolarHBondContact O-N 3.21Å; M132-A200 HydrophobicContact CB-CB 4.15Å; M132-A200 HydrophobicContact CE-CB 3.59Å; M132-A200 HydrophobicContact SD-CB 4.1Å; M132-I228 HydrophobicContact CE-CG2 3.32Å
133	F	90.9	Very high	93.5	Very high	166 Å²	166	65.5 Å²	65.5	73%	0.728	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-60.2	131.6	168.1	-70.1	-76.4	0	0	0	109.7	A200 Y201	F133-A200 WeakPolarHBondContact O-CA 3.49Å; F133-Y201 WeakPolarHBondContact O-CB 3.48Å; F133-Y201 PolarHBondContact O-N 3.3Å
134	I	93	Very high	93.5	Very high	23 Å²	23	65.8 Å²	65.8	12%	0.118	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.4	172.1	60	173.6	0	0	0	110.1	L130 M132 F184 R188 E198 I199 I228	L130-I134 HydrophobicContact CD1-CG2 3.78Å; M132-I134 PolarHBondContact O-N 3.21Å; I134-F184 HydrophobicContact CD1-CE2 3.54Å; I134-F184 HydrophobicContact CD1-CZ 3.58Å; I134-F184 HydrophobicContact CG1-CE2 3.73Å; I134-F184 HydrophobicContact CG1-CZ 3.82Å; I134-R188 HydrophobicContact CD1-CG 3.75Å; I134-E198 VanDerWaalsContact CD1-OE1 3.23Å; I134-E198 WeakPolarHBondContact CD1-OE1 3.42Å; I134-E198 HydrophobicContact CG2-CB 4.32Å; I134-I199 CarbonylContact C-O 3.59Å; I134-I199 WeakPolarHBondContact CA-O 3.46Å; I134-I228 HydrophobicContact CG2-CD1 3.78Å
135	L	93.4	Very high	93.5	Very high	76 Å²	76	64 Å²	64	40%	0.398	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	138.4	166.8	-57.7	-174.5	0	0	0	108.3	G137 I199 Y201	L135-G137 PolarHBondContact O-N 2.92Å; L135-I199 HydrophobicContact CB-CG2 4.43Å; L135-I199 HydrophobicContact CD1-CG2 3.82Å; L135-I199 HydrophobicContact CG-CG2 4.29Å; L135-I199 PolarHBondContact N-O 2.96Å; L135-Y201 HydrophobicContact CD2-CD2 4.11Å
136	A	93.1	Very high	93.6	Very high	72 Å²	72	57.8 Å²	57.8	60%	0.595	32%	0.323	S	S	*	.	S	Bend	trans	-58.9	123.3	172.9	0	0	0	0	0	109.4	H146	A136-H146 VanDerWaalsContact CA-CD2 3.48Å; A136-H146 WeakPolarHBondContact CA-CD2 3.35Å; A136-H146 HydrophobicContact CB-CB 3.62Å
137	G	91.9	Very high	93.7	Very high	16 Å²	16	59.8 Å²	59.8	17%	0.165	33%	0.331	C	S	.	.			trans	159.1	-137.9	-170.9	0	0	0	0	0	111.5	L135 S142 S143 H146	L135-G137 PolarHBondContact O-N 2.92Å; G137-S142 WeakPolarHBondContact O-CB 3.39Å; G137-S142 PolarHBondContact O-OG 3.18Å; G137-S143 WeakPolarHBondContact CA-OG 3.41Å; G137-H146 PolarHBondContact N-CD2 2.68Å
138	G	89.4	Confident	93.9	Very high	32 Å²	32	58.8 Å²	58.8	33%	0.33	33%	0.325	S	S	.	.	S	Bend	trans	91.7	-99.5	-167.4	0	0	0	0	0	108.2	E197	G138-E197 WeakPolarHBondContact CA-O 3.31Å
139	N	93.8	Very high	94.2	Very high	27 Å²	27	59.6 Å²	59.6	14%	0.144	32%	0.321	C	S	.	.	S	Bend	trans	-120.8	-176.7	171.5	62.9	26.6	0	0	0	112.3	L141 S142 S143 T194 D196	N139-L141 VanDerWaalsContact C-N 3.3Å; N139-L141 PolarHBondContact O-N 3.47Å; N139-L141 PolarHBondContact OD1-N 3.39Å; N139-L141 VanDerWaalsContact OD1-N 3.15Å; N139-S142 PolarHBondContact O-N 3.37Å; N139-S142 WeakPolarHBondContact OD1-CB 3.44Å; N139-S142 PolarHBondContact OD1-N 3.24Å; N139-S143 VanDerWaalsContact O-CB 3.28Å; N139-S143 WeakPolarHBondContact O-CB 3.41Å; N139-S143 PolarHBondContact O-N 3.05Å; N139-S143 PolarHBondContact O-OG 3.06Å; N139-T194 PolarHBondContact ND2-OG1 3.02Å; N139-D196 HydrophobicContact CB-CB 4.14Å; N139-D196 WeakPolarHBondContact CB-OD2 3.23Å; N139-D196 PolarHBondContact ND2-OD2 3.37Å
140	L	96.1	Very high	94.5	Very high	130 Å²	130	58 Å²	58	68%	0.681	31%	0.312	S	S	*	.	H	α-helix	trans	-59.7	-40.5	-178.5	-172.5	61.3	0	0	0	112	M63 S143 C144	M63-L140 HydrophobicContact CE-CB 4.01Å; M63-L140 HydrophobicContact CE-CD2 3.92Å; M63-L140 HydrophobicContact CE-CG 3.61Å; L140-S143 PolarHBondContact O-N 3.37Å; L140-C144 PolarHBondContact O-N 3.1Å; L140-C144 PolarHBondContact O-SG 3.31Å; L140-C144 VanDerWaalsContact O-SG 3.34Å
141	L	97.2	Very high	95	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-66.2	-50.6	-179.6	178	50.7	0	0	0	111.8	M60 M63 L69 N139 S143 C144 M145 V190	M60-L141 HydrophobicContact CB-CD1 4.35Å; M63-L141 HydrophobicContact CB-CD1 3.73Å; M63-L141 HydrophobicContact CE-CB 3.92Å; M63-L141 HydrophobicContact CE-CD1 4.32Å; M63-L141 HydrophobicContact SD-CD1 4.4Å; L69-L141 HydrophobicContact CD1-CD2 3.92Å; N139-L141 VanDerWaalsContact C-N 3.3Å; N139-L141 PolarHBondContact O-N 3.47Å; N139-L141 PolarHBondContact OD1-N 3.39Å; N139-L141 VanDerWaalsContact OD1-N 3.15Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 3.42Å; L141-C144 WeakPolarHBondContact O-CB 3.39Å; L141-C144 PolarHBondContact O-N 3.39Å; L141-C144 VanDerWaalsContact O-N 3.16Å; L141-M145 HydrophobicContact CD1-CE 4.42Å; L141-M145 PolarHBondContact O-N 3.18Å; L141-V190 HydrophobicContact CD2-CB 3.94Å; L141-V190 HydrophobicContact CD2-CG1 4.27Å; L141-V190 HydrophobicContact CD2-CG2 4.19Å; L141-V190 HydrophobicContact CG-CB 4.15Å; L141-V190 HydrophobicContact CG-CG2 3.82Å
142	S	97.3	Very high	95.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-39.2	174.8	175	0	0	0	0	111.9	G137 N139 C144 M145 H146 G187	G137-S142 WeakPolarHBondContact O-CB 3.39Å; G137-S142 PolarHBondContact O-OG 3.18Å; N139-S142 PolarHBondContact O-N 3.37Å; N139-S142 WeakPolarHBondContact OD1-CB 3.44Å; N139-S142 PolarHBondContact OD1-N 3.24Å; S142-C144 VanDerWaalsContact C-N 3.35Å; S142-C144 PolarHBondContact O-N 3.01Å; S142-M145 WeakPolarHBondContact O-CB 3.38Å; S142-M145 PolarHBondContact O-N 2.92Å; S142-M145 VanDerWaalsContact O-N 3.12Å; S142-H146 PolarHBondContact O-CD2 2.99Å; S142-H146 PolarHBondContact O-N 3.05Å; S142-G187 WeakPolarHBondContact CB-O 3.47Å; S142-G187 PolarHBondContact OG-O 2.94Å
143	S	97.2	Very high	96.1	Very high	47 Å²	47	43.5 Å²	43.5	33%	0.329	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-42.7	174.9	-58.8	0	0	0	0	112	G137 N139 L140 L141 M145 H146 E147	G137-S143 WeakPolarHBondContact CA-OG 3.41Å; N139-S143 VanDerWaalsContact O-CB 3.28Å; N139-S143 WeakPolarHBondContact O-CB 3.41Å; N139-S143 PolarHBondContact O-N 3.05Å; N139-S143 PolarHBondContact O-OG 3.06Å; L140-S143 PolarHBondContact O-N 3.37Å; L141-S143 VanDerWaalsContact C-N 3.29Å; L141-S143 PolarHBondContact O-N 3.42Å; S143-M145 VanDerWaalsContact C-N 3.34Å; S143-M145 PolarHBondContact O-N 3.5Å; S143-H146 PolarHBondContact O-N 3.37Å; S143-E147 PolarHBondContact O-N 3.25Å
144	C	98.1	Very high	96.4	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-63.8	-36.4	173.7	-71.7	0	0	0	0	112.4	K59 M60 L140 L141 S142 E147 A148	K59-C144 WeakPolarHBondContact CE-SG 3.43Å; M60-C144 HydrophobicContact CG-CB 3.77Å; M60-C144 HydrophobicContact SD-CB 4.07Å; M60-C144 VanDerWaalsContact SD-O 3.36Å; L140-C144 PolarHBondContact O-N 3.1Å; L140-C144 PolarHBondContact O-SG 3.31Å; L140-C144 VanDerWaalsContact O-SG 3.34Å; L141-C144 WeakPolarHBondContact O-CB 3.39Å; L141-C144 PolarHBondContact O-N 3.39Å; L141-C144 VanDerWaalsContact O-N 3.16Å; S142-C144 VanDerWaalsContact C-N 3.35Å; S142-C144 PolarHBondContact O-N 3.01Å; C144-E147 WeakPolarHBondContact O-CB 3.49Å; C144-E147 PolarHBondContact O-N 2.92Å; C144-A148 WeakPolarHBondContact O-CB 3.45Å; C144-A148 PolarHBondContact O-N 3.41Å
145	M	98.2	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-42.3	174.3	-68.9	-76.3	-174.5	0	0	111.7	M60 V72 L76 L141 S142 S143 A148 R149 L183 L186 V190	M60-M145 HydrophobicContact CB-CE 4.16Å; M60-M145 HydrophobicContact CE-SD 3.85Å; M60-M145 WeakPolarHBondContact SD-CA 3.5Å; M60-M145 HydrophobicContact SD-CB 4.13Å; M60-M145 HydrophobicContact SD-CE 4.12Å; M60-M145 HydrophobicContact SD-CG 3.7Å; M60-M145 PolarHBondContact SD-N 3.42Å; M60-M145 VanDerWaalsContact SD-N 3.37Å; M60-M145 HydrophobicContact SD-SD 3.36Å; V72-M145 HydrophobicContact CG1-CE 4.1Å; L76-M145 HydrophobicContact CD1-CE 3.91Å; L76-M145 HydrophobicContact CD2-CE 4.18Å; L141-M145 HydrophobicContact CD1-CE 4.42Å; L141-M145 PolarHBondContact O-N 3.18Å; S142-M145 WeakPolarHBondContact O-CB 3.38Å; S142-M145 PolarHBondContact O-N 2.92Å; S142-M145 VanDerWaalsContact O-N 3.12Å; S143-M145 VanDerWaalsContact C-N 3.34Å; S143-M145 PolarHBondContact O-N 3.5Å; M145-A148 PolarHBondContact O-N 3.34Å; M145-R149 WeakPolarHBondContact O-CB 3.48Å; M145-R149 PolarHBondContact O-N 3.12Å; M145-L183 HydrophobicContact SD-CD2 3.96Å; M145-L186 HydrophobicContact CE-CB 4.33Å; M145-L186 HydrophobicContact SD-CB 4.08Å; M145-V190 HydrophobicContact CE-CG1 4.35Å; M145-V190 HydrophobicContact CG-CG2 4.4Å
146	H	97.8	Very high	97	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.046	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-34.8	174.4	-67.6	-57.8	0	0	0	113.4	A136 G137 S142 S143 R149 C150	A136-H146 VanDerWaalsContact CA-CD2 3.48Å; A136-H146 WeakPolarHBondContact CA-CD2 3.35Å; A136-H146 HydrophobicContact CB-CB 3.62Å; G137-H146 PolarHBondContact N-CD2 2.68Å; S142-H146 PolarHBondContact O-CD2 2.99Å; S142-H146 PolarHBondContact O-N 3.05Å; S143-H146 PolarHBondContact O-N 3.37Å; H146-R149 WeakPolarHBondContact O-CB 3.21Å; H146-C150 PolarHBondContact O-N 3.48Å; H146-C150 PolarHBondContact O-SG 3.07Å
147	E	98.3	Very high	97.2	Very high	95 Å²	95	41 Å²	41	44%	0.444	21%	0.207	S	C	.	.	H	α-helix	trans	-62.7	-52	171.6	-179.7	-176.7	-152.7	0	0	110.5	K59 S143 C144 R149 C150 I151	K59-E147 IonicContact NZ-OE2 2.91Å; K59-E147 PolarHBondContact NZ-OE2 3.45Å; S143-E147 PolarHBondContact O-N 3.25Å; C144-E147 WeakPolarHBondContact O-CB 3.49Å; C144-E147 PolarHBondContact O-N 2.92Å; E147-R149 PolarHBondContact O-N 3.46Å; E147-C150 WeakPolarHBondContact O-CA 3.5Å; E147-C150 WeakPolarHBondContact O-CB 3.47Å; E147-C150 PolarHBondContact O-N 2.99Å; E147-I151 HydrophobicContact CG-CD1 4.21Å; E147-I151 WeakPolarHBondContact O-CG1 3.42Å; E147-I151 PolarHBondContact O-N 3.47Å; E147-I151 VanDerWaalsContact O-N 3.08Å
148	A	98.5	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-36.5	178.2	0	0	0	0	0	112	L53 A56 M60 C144 M145 C150 I151 C152 L183	L53-A148 HydrophobicContact CD1-CB 4.45Å; L53-A148 WeakPolarHBondContact CD1-O 3.39Å; A56-A148 HydrophobicContact CB-CB 4.4Å; M60-A148 HydrophobicContact CE-CB 3.3Å; M60-A148 HydrophobicContact SD-CB 3.82Å; C144-A148 WeakPolarHBondContact O-CB 3.45Å; C144-A148 PolarHBondContact O-N 3.41Å; M145-A148 PolarHBondContact O-N 3.34Å; A148-C150 VanDerWaalsContact C-N 3.33Å; A148-C150 PolarHBondContact O-N 3.31Å; A148-I151 CarbonylContact O-C 3.54Å; A148-I151 PolarHBondContact O-N 2.95Å; A148-C152 VanDerWaalsContact O-CB 3.31Å; A148-C152 WeakPolarHBondContact O-CB 3.41Å; A148-C152 PolarHBondContact O-N 3.16Å; A148-L183 HydrophobicContact CB-CD1 4.22Å; A148-L183 HydrophobicContact CB-CD2 4.31Å
149	R	98.5	Very high	98	Very high	71 Å²	71	39.3 Å²	39.3	27%	0.268	19%	0.187	S	C	.	.	H	α-helix	trans	-58.1	-43	172.5	-175.7	-178	66.5	84.9	4.8	112.5	M145 H146 E147 C152 R153 S180 L183	M145-R149 WeakPolarHBondContact O-CB 3.48Å; M145-R149 PolarHBondContact O-N 3.12Å; H146-R149 WeakPolarHBondContact O-CB 3.21Å; E147-R149 PolarHBondContact O-N 3.46Å; R149-C152 WeakPolarHBondContact O-CB 3.47Å; R149-C152 PolarHBondContact O-N 3.4Å; R149-R153 WeakPolarHBondContact O-CG 3.34Å; R149-R153 PolarHBondContact O-N 3.32Å; R149-S180 WeakPolarHBondContact CD-O 3.41Å; R149-S180 VanDerWaalsContact CG-O 3.29Å; R149-S180 WeakPolarHBondContact CG-O 3.4Å; R149-S180 VanDerWaalsContact CG-OG 3.25Å; R149-S180 WeakPolarHBondContact CG-OG 3.3Å; R149-L183 HydrophobicContact CB-CB 4.02Å
150	C	98.4	Very high	98.2	Very high	70 Å²	70	41.1 Å²	41.1	47%	0.473	20%	0.196	S	C	.	.	H	α-helix	trans	-66.6	-39.5	176.6	-68.2	0	0	0	0	112	H146 E147 A148 C152 R153 R154	H146-C150 PolarHBondContact O-N 3.48Å; H146-C150 PolarHBondContact O-SG 3.07Å; E147-C150 WeakPolarHBondContact O-CA 3.5Å; E147-C150 WeakPolarHBondContact O-CB 3.47Å; E147-C150 PolarHBondContact O-N 2.99Å; A148-C150 VanDerWaalsContact C-N 3.33Å; A148-C150 PolarHBondContact O-N 3.31Å; C150-C152 VanDerWaalsContact C-N 3.34Å; C150-R153 PolarHBondContact O-N 3.46Å; C150-R154 PolarHBondContact O-N 3.24Å
151	I	98.8	Very high	98.3	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.077	17%	0.173	C	C	.	.	H	α-helix	trans	-64.1	-41.4	174.1	-58.3	172.6	0	0	0	110	E52 L53 A56 E147 A148 R153 R154 A155	E52-I151 HydrophobicContact CB-CG2 4.4Å; E52-I151 HydrophobicContact CG-CG2 4.1Å; L53-I151 HydrophobicContact CB-CG2 3.94Å; L53-I151 HydrophobicContact CD1-CB 4.3Å; L53-I151 HydrophobicContact CD1-CG2 4.26Å; A56-I151 HydrophobicContact CB-CD1 3.77Å; E147-I151 HydrophobicContact CG-CD1 4.21Å; E147-I151 WeakPolarHBondContact O-CG1 3.42Å; E147-I151 PolarHBondContact O-N 3.47Å; E147-I151 VanDerWaalsContact O-N 3.08Å; A148-I151 CarbonylContact O-C 3.54Å; A148-I151 PolarHBondContact O-N 2.95Å; I151-R153 PolarHBondContact O-N 2.85Å; I151-R154 CarbonylContact O-C 3.6Å; I151-R154 WeakPolarHBondContact O-CA 3.44Å; I151-R154 VanDerWaalsContact O-CB 3.31Å; I151-R154 WeakPolarHBondContact O-CB 3.38Å; I151-R154 PolarHBondContact O-N 3.39Å; I151-A155 PolarHBondContact O-N 3.11Å
152	C	98.9	Very high	98.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-46.6	177.3	-179	0	0	0	0	111.8	L53 A148 R149 C150 R154 A155 E156 L176 L183	L53-C152 HydrophobicContact CD1-CB 3.72Å; L53-C152 HydrophobicContact CD2-CB 3.74Å; L53-C152 HydrophobicContact CG-CB 4.37Å; A148-C152 VanDerWaalsContact O-CB 3.31Å; A148-C152 WeakPolarHBondContact O-CB 3.41Å; A148-C152 PolarHBondContact O-N 3.16Å; R149-C152 WeakPolarHBondContact O-CB 3.47Å; R149-C152 PolarHBondContact O-N 3.4Å; C150-C152 VanDerWaalsContact C-N 3.34Å; C152-R154 PolarHBondContact O-N 3.42Å; C152-A155 WeakPolarHBondContact O-CB 3.49Å; C152-A155 PolarHBondContact O-N 3.07Å; C152-A155 VanDerWaalsContact O-N 3.14Å; C152-E156 PolarHBondContact O-N 3.5Å; C152-L176 PolarHBondContact SG-O 3.26Å; C152-L183 HydrophobicContact CB-CD1 3.88Å
153	R	98.7	Very high	98.4	Very high	46 Å²	46	38.6 Å²	38.6	17%	0.174	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-29.2	173	-66.7	-82.7	108.6	109.1	11.8	112.1	R149 C150 I151 E156 R157 L176 N177 S180 D181	R149-R153 WeakPolarHBondContact O-CG 3.34Å; R149-R153 PolarHBondContact O-N 3.32Å; C150-R153 PolarHBondContact O-N 3.46Å; I151-R153 PolarHBondContact O-N 2.85Å; R153-E156 WeakPolarHBondContact CD-OE2 3.48Å; R153-E156 IonicContact CZ-OE2 2.89Å; R153-E156 IonicContact NE-OE2 2.62Å; R153-E156 PolarHBondContact NE-OE2 3.04Å; R153-E156 IonicContact NH2-OE2 3.76Å; R153-R157 WeakPolarHBondContact O-CG 3.39Å; R153-R157 PolarHBondContact O-N 3.17Å; R153-R157 VanDerWaalsContact O-N 3.14Å; R153-R157 PolarHBondContact O-NH1 2.99Å; R153-R157 VanDerWaalsContact O-NH1 3.07Å; R153-L176 PolarHBondContact NH2-O 3.07Å; R153-N177 PolarHBondContact NH2-O 2.85Å; R153-S180 WeakPolarHBondContact CG-OG 3.04Å; R153-S180 PolarHBondContact NE-OG 3.06Å; R153-S180 VanDerWaalsContact NE-OG 3.09Å; R153-S180 PolarHBondContact NH1-OG 3.48Å; R153-S180 PolarHBondContact NH2-OG 3.09Å; R153-D181 IonicContact CZ-OD1 2.66Å; R153-D181 IonicContact NH1-OD1 2.83Å; R153-D181 PolarHBondContact NH1-OD1 2.82Å; R153-D181 IonicContact NH2-OD1 2.75Å
154	R	98.6	Very high	98.5	Very high	105 Å²	105	46.4 Å²	46.4	40%	0.396	21%	0.207	S	C	.	.	H	α-helix	trans	-70.1	-45	172.7	177.4	170.2	59.4	-139.5	-3.1	111.2	E52 C150 I151 C152 R157 S158	E52-R154 IonicContact OE1-CZ 3Å; E52-R154 IonicContact OE1-NH2 3.71Å; E52-R154 PolarHBondContact OE1-NH2 2.94Å; E52-R154 IonicContact OE2-CZ 3.74Å; E52-R154 IonicContact OE2-NE 3.66Å; E52-R154 PolarHBondContact OE2-NE 2.88Å; E52-R154 IonicContact OE2-NH2 3.75Å; E52-R154 PolarHBondContact OE2-NH2 3.11Å; C150-R154 PolarHBondContact O-N 3.24Å; I151-R154 CarbonylContact O-C 3.6Å; I151-R154 WeakPolarHBondContact O-CA 3.44Å; I151-R154 VanDerWaalsContact O-CB 3.31Å; I151-R154 WeakPolarHBondContact O-CB 3.38Å; I151-R154 PolarHBondContact O-N 3.39Å; C152-R154 PolarHBondContact O-N 3.42Å; R154-R157 VanDerWaalsContact CA-NH2 3.33Å; R154-R157 PolarHBondContact O-N 3.5Å; R154-S158 PolarHBondContact O-N 3.43Å; R154-S158 PolarHBondContact O-OG 3.11Å
155	A	98.8	Very high	98.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-44.3	173.3	0	0	0	0	0	111.7	A49 T50 I151 C152 R157 S158 L159 L176	A49-A155 HydrophobicContact CB-CB 3.98Å; T50-A155 HydrophobicContact CG2-CB 4.21Å; I151-A155 PolarHBondContact O-N 3.11Å; C152-A155 WeakPolarHBondContact O-CB 3.49Å; C152-A155 PolarHBondContact O-N 3.07Å; C152-A155 VanDerWaalsContact O-N 3.14Å; A155-R157 VanDerWaalsContact C-N 3.33Å; A155-R157 PolarHBondContact O-N 3.37Å; A155-S158 PolarHBondContact O-N 3.31Å; A155-S158 PolarHBondContact O-OG 2.97Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 PolarHBondContact O-N 3.41Å; A155-L176 HydrophobicContact CB-CD1 4.18Å
156	E	98.8	Very high	98.3	Very high	30 Å²	30	52.3 Å²	52.3	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-55.9	-48.6	174.8	-175.6	-173.5	177	0	0	111.2	C152 R153 S158 L159 I160 L176 N177	C152-E156 PolarHBondContact O-N 3.5Å; R153-E156 WeakPolarHBondContact CD-OE2 3.48Å; R153-E156 IonicContact CZ-OE2 2.89Å; R153-E156 IonicContact NE-OE2 2.62Å; R153-E156 PolarHBondContact NE-OE2 3.04Å; R153-E156 IonicContact NH2-OE2 3.76Å; E156-S158 VanDerWaalsContact C-N 3.33Å; E156-S158 PolarHBondContact O-N 3.2Å; E156-L159 PolarHBondContact O-N 2.99Å; E156-L159 VanDerWaalsContact O-N 3.15Å; E156-I160 WeakPolarHBondContact O-CG1 3.46Å; E156-I160 PolarHBondContact O-N 3.18Å; E156-L176 HydrophobicContact CB-CB 3.91Å; E156-L176 HydrophobicContact CB-CD1 4.39Å; E156-L176 HydrophobicContact CG-CB 4.25Å; E156-N177 PolarHBondContact OE1-ND2 2.9Å
157	R	98.6	Very high	98.3	Very high	149 Å²	149	53 Å²	53	56%	0.562	25%	0.246	S	C	*	.	H	α-helix	trans	-62.9	-34.3	179.2	-76.2	-174	-58.4	-86.9	-0	113.6	R153 R154 A155 L159 I160 P161	R153-R157 WeakPolarHBondContact O-CG 3.39Å; R153-R157 PolarHBondContact O-N 3.17Å; R153-R157 VanDerWaalsContact O-N 3.14Å; R153-R157 PolarHBondContact O-NH1 2.99Å; R153-R157 VanDerWaalsContact O-NH1 3.07Å; R154-R157 VanDerWaalsContact CA-NH2 3.33Å; R154-R157 PolarHBondContact O-N 3.5Å; A155-R157 VanDerWaalsContact C-N 3.33Å; A155-R157 PolarHBondContact O-N 3.37Å; R157-L159 VanDerWaalsContact C-N 3.29Å; R157-I160 PolarHBondContact O-N 3.46Å; R157-P161 VanDerWaalsContact O-CD 3.3Å; R157-P161 WeakPolarHBondContact O-CD 3.42Å
158	S	98.5	Very high	98.2	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-72.9	-22	177.2	58.8	0	0	0	0	112.9	A46 R154 A155 E156	A46-S158 WeakPolarHBondContact CA-OG 3.4Å; R154-S158 PolarHBondContact O-N 3.43Å; R154-S158 PolarHBondContact O-OG 3.11Å; A155-S158 PolarHBondContact O-N 3.31Å; A155-S158 PolarHBondContact O-OG 2.97Å; E156-S158 VanDerWaalsContact C-N 3.33Å; E156-S158 PolarHBondContact O-N 3.2Å
159	L	98.7	Very high	98	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-79.3	-23.9	172.3	-87.3	73.1	0	0	0	113.3	A46 T50 I86 V90 A155 E156 R157 L162 L163 I168 A172 T173 L176	A46-L159 HydrophobicContact CB-CD1 3.73Å; A46-L159 HydrophobicContact CB-CG 4.37Å; T50-L159 HydrophobicContact CG2-CD1 4.16Å; I86-L159 HydrophobicContact CG2-CD2 4.21Å; V90-L159 HydrophobicContact CG2-CD2 4.07Å; V90-L159 HydrophobicContact CG2-CG 4.21Å; A155-L159 WeakPolarHBondContact O-CD1 3.4Å; A155-L159 PolarHBondContact O-N 3.41Å; E156-L159 PolarHBondContact O-N 2.99Å; E156-L159 VanDerWaalsContact O-N 3.15Å; R157-L159 VanDerWaalsContact C-N 3.29Å; L159-L162 WeakPolarHBondContact O-CB 3.47Å; L159-L162 PolarHBondContact O-N 2.81Å; L159-L162 VanDerWaalsContact O-N 3.11Å; L159-L163 PolarHBondContact O-N 2.62Å; L159-I168 HydrophobicContact CB-CD1 3.92Å; L159-I168 HydrophobicContact CD2-CD1 3.86Å; L159-I168 HydrophobicContact CG-CD1 3.91Å; L159-A172 HydrophobicContact CD2-CB 3.87Å; L159-T173 HydrophobicContact CB-CG2 3.84Å; L159-T173 HydrophobicContact CD2-CG2 4.35Å; L159-L176 HydrophobicContact CD1-CD1 4.08Å; L159-L176 HydrophobicContact CD2-CD1 3.9Å
160	I	98.6	Very high	98	Very high	66 Å²	66	54.5 Å²	54.5	34%	0.338	26%	0.257	S	S	.	.	H	α-helix	trans	-57.9	-44.9	-176.1	-60.6	-55.1	0	0	0	113.6	E156 R157 L162 L163 R164 T173	E156-I160 WeakPolarHBondContact O-CG1 3.46Å; E156-I160 PolarHBondContact O-N 3.18Å; R157-I160 PolarHBondContact O-N 3.46Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 PolarHBondContact O-N 3.15Å; I160-L163 PolarHBondContact O-N 2.94Å; I160-R164 HydrophobicContact CG2-CG 4.48Å; I160-R164 WeakPolarHBondContact O-CG 3.47Å; I160-R164 PolarHBondContact O-N 2.82Å; I160-T173 HydrophobicContact CD1-CG2 4.23Å
161	P	98.4	Very high	98	Very high	29 Å²	29	51.3 Å²	51.3	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-58	-42.1	174.3	-27.2	37	0	0	0	113.3	R157 L163 R164 E165	R157-P161 VanDerWaalsContact O-CD 3.3Å; R157-P161 WeakPolarHBondContact O-CD 3.42Å; P161-L163 PolarHBondContact O-N 3.23Å; P161-R164 PolarHBondContact O-N 2.97Å; P161-E165 WeakPolarHBondContact O-CB 3.25Å; P161-E165 WeakPolarHBondContact O-CG 3.45Å; P161-E165 PolarHBondContact O-N 3.24Å
162	L	98.4	Very high	98	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-41.5	179.4	-57.1	-179	0	0	0	111.4	R42 I43 A46 V90 L159 I160 R164 E165 G166 E167 I168	R42-L162 HydrophobicContact CB-CD2 3.72Å; I43-L162 HydrophobicContact CG1-CD1 4.16Å; I43-L162 HydrophobicContact CG1-CD2 3.73Å; A46-L162 HydrophobicContact CB-CD1 3.63Å; V90-L162 HydrophobicContact CG1-CD1 3.94Å; L159-L162 WeakPolarHBondContact O-CB 3.47Å; L159-L162 PolarHBondContact O-N 2.81Å; L159-L162 VanDerWaalsContact O-N 3.11Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 PolarHBondContact O-N 3.15Å; L162-R164 VanDerWaalsContact C-N 3.35Å; L162-R164 PolarHBondContact O-N 3.43Å; L162-E165 PolarHBondContact O-N 2.98Å; L162-G166 PolarHBondContact O-N 2.9Å; L162-G166 VanDerWaalsContact O-N 3.12Å; L162-E167 HydrophobicContact CB-CB 4.12Å; L162-E167 HydrophobicContact CD2-CB 4.44Å; L162-E167 HydrophobicContact CD2-CG 4.38Å; L162-E167 PolarHBondContact O-N 2.87Å; L162-I168 HydrophobicContact CB-CD1 4.05Å; L162-I168 HydrophobicContact CB-CG1 3.96Å
163	L	98.2	Very high	97.9	Very high	56 Å²	56	51.2 Å²	51.2	29%	0.293	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-45	173.5	175.5	62.5	0	0	0	111.3	L159 I160 P161 E165 G166 I168 K170 T173	L159-L163 PolarHBondContact O-N 2.62Å; I160-L163 PolarHBondContact O-N 2.94Å; P161-L163 PolarHBondContact O-N 3.23Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 3.47Å; L163-G166 PolarHBondContact O-N 3.11Å; L163-G166 VanDerWaalsContact O-N 3.16Å; L163-I168 HydrophobicContact CB-CD1 4.44Å; L163-I168 HydrophobicContact CB-CG1 4.2Å; L163-K170 HydrophobicContact CD1-CB 4.11Å; L163-K170 HydrophobicContact CD2-CB 4.5Å; L163-T173 HydrophobicContact CB-CG2 4.41Å; L163-T173 HydrophobicContact CD2-CG2 4.1Å
164	R	98.1	Very high	97.9	Very high	211 Å²	211	52 Å²	52	80%	0.796	24%	0.242	S	C	*	.	H	α-helix	trans	-66.3	-30.3	179.4	-71.5	174.8	62.1	-161.5	-3	113.1	I160 P161 L162 G166	I160-R164 HydrophobicContact CG2-CG 4.48Å; I160-R164 WeakPolarHBondContact O-CG 3.47Å; I160-R164 PolarHBondContact O-N 2.82Å; P161-R164 PolarHBondContact O-N 2.97Å; L162-R164 VanDerWaalsContact C-N 3.35Å; L162-R164 PolarHBondContact O-N 3.43Å; R164-G166 VanDerWaalsContact C-N 3.29Å
165	E	97	Very high	97.9	Very high	97 Å²	97	47.1 Å²	47.1	45%	0.453	22%	0.223	S	C	.	.	H	α-helix	trans	-84.1	-5.8	177.5	-71.7	164.5	-174.1	0	0	112.5	R42 P161 L162 L163 E167	R42-E165 IonicContact CZ-OE1 3.31Å; R42-E165 IonicContact NH1-OE1 3.11Å; R42-E165 PolarHBondContact NH1-OE1 3.45Å; P161-E165 WeakPolarHBondContact O-CB 3.25Å; P161-E165 WeakPolarHBondContact O-CG 3.45Å; P161-E165 PolarHBondContact O-N 3.24Å; L162-E165 PolarHBondContact O-N 2.98Å; L163-E165 VanDerWaalsContact C-N 3.28Å; L163-E165 PolarHBondContact O-N 3.47Å; E165-E167 VanDerWaalsContact C-N 3.27Å; E165-E167 HydrophobicContact CB-CG 4.04Å; E165-E167 PolarHBondContact O-N 3.42Å
166	G	96.6	Very high	97.9	Very high	36 Å²	36	47.1 Å²	47.1	37%	0.371	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	18.4	-178	0	0	0	0	0	113.5	L162 L163 R164 I168	L162-G166 PolarHBondContact O-N 2.9Å; L162-G166 VanDerWaalsContact O-N 3.12Å; L163-G166 PolarHBondContact O-N 3.11Å; L163-G166 VanDerWaalsContact O-N 3.16Å; R164-G166 VanDerWaalsContact C-N 3.29Å; G166-I168 VanDerWaalsContact C-N 3.34Å
167	E	96.6	Very high	97.9	Very high	23 Å²	23	47.9 Å²	47.9	11%	0.107	23%	0.229	C	C	.	.	S	Bend	trans	-73.7	-27.6	176.7	-62.8	-80.1	133.1	0	0	111.3	R37 P93 L94 T95 L162 E165	R37-E167 IonicContact CZ-OE2 3.94Å; R37-E167 IonicContact NH1-OE2 3.97Å; R37-E167 PolarHBondContact NH1-OE2 3.37Å; R37-E167 IonicContact NH2-OE1 3.52Å; R37-E167 IonicContact NH2-OE2 2.74Å; R37-E167 PolarHBondContact NH2-OE2 2.98Å; P93-E167 CarbonylContact C-O 3.58Å; P93-E167 WeakPolarHBondContact CA-O 3.25Å; P93-E167 HydrophobicContact CB-CB 4.14Å; P93-E167 WeakPolarHBondContact CB-OE2 3.25Å; P93-E167 WeakPolarHBondContact CG-OE2 3.46Å; L94-E167 PolarHBondContact N-O 2.93Å; T95-E167 WeakPolarHBondContact CB-OE1 3.24Å; T95-E167 WeakPolarHBondContact CG2-OE1 3.45Å; T95-E167 PolarHBondContact OG1-OE1 3.42Å; T95-E167 PolarHBondContact OG1-OE2 2.97Å; T95-E167 VanDerWaalsContact OG1-OE2 3.12Å; L162-E167 HydrophobicContact CB-CB 4.12Å; L162-E167 HydrophobicContact CD2-CB 4.44Å; L162-E167 HydrophobicContact CD2-CG 4.38Å; L162-E167 PolarHBondContact O-N 2.87Å; E165-E167 VanDerWaalsContact C-N 3.27Å; E165-E167 HydrophobicContact CB-CG 4.04Å; E165-E167 PolarHBondContact O-N 3.42Å
168	I	97.1	Very high	97.9	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	22%	0.217	C	C	.	.	S	Bend	trans	-136.5	163.8	179.9	62.1	170.6	0	0	0	111.6	V90 L159 L162 L163 G166 T173	V90-I168 HydrophobicContact CG2-CG2 4.27Å; L159-I168 HydrophobicContact CB-CD1 3.92Å; L159-I168 HydrophobicContact CD2-CD1 3.86Å; L159-I168 HydrophobicContact CG-CD1 3.91Å; L162-I168 HydrophobicContact CB-CD1 4.05Å; L162-I168 HydrophobicContact CB-CG1 3.96Å; L163-I168 HydrophobicContact CB-CD1 4.44Å; L163-I168 HydrophobicContact CB-CG1 4.2Å; G166-I168 VanDerWaalsContact C-N 3.34Å; I168-T173 HydrophobicContact CD1-CG2 4.32Å
169	D	94.6	Very high	98	Very high	79 Å²	79	44.2 Å²	44.2	42%	0.422	21%	0.213	S	C	.	.			trans	-83.6	164.1	169.6	-158.3	-62.4	0	0	0	110.9	H89 A171	H89-D169 PolarHBondContact NE2-N 2.89Å; D169-A171 VanDerWaalsContact C-N 3.26Å; D169-A171 PolarHBondContact O-N 3.47Å; D169-A171 PolarHBondContact OD1-N 3.43Å
170	K	97.5	Very high	98	Very high	114 Å²	114	44.2 Å²	44.2	50%	0.496	21%	0.213	S	C	.	.	H	α-helix	trans	-66.7	-22.9	177.8	60.2	171.1	-173.7	-174.5	0	113.4	L163 A172 T173 Q174	L163-K170 HydrophobicContact CD1-CB 4.11Å; L163-K170 HydrophobicContact CD2-CB 4.5Å; K170-A172 VanDerWaalsContact C-N 3.33Å; K170-A172 PolarHBondContact O-N 3.13Å; K170-T173 PolarHBondContact O-N 2.91Å; K170-T173 PolarHBondContact O-OG1 2.97Å; K170-Q174 WeakPolarHBondContact O-CG 3.28Å; K170-Q174 PolarHBondContact O-N 2.9Å
171	A	98.3	Very high	98	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-52	-47.1	-174.6	0	0	0	0	0	112.9	F108 I110 D169 T173 Q174 Y175	F108-A171 HydrophobicContact CD1-CB 3.96Å; F108-A171 WeakPolarHBondContact O-CB 3.19Å; I110-A171 HydrophobicContact CB-CB 4.25Å; D169-A171 VanDerWaalsContact C-N 3.26Å; D169-A171 PolarHBondContact O-N 3.47Å; D169-A171 PolarHBondContact OD1-N 3.43Å; A171-T173 PolarHBondContact O-N 2.88Å; A171-Q174 PolarHBondContact O-N 3.45Å; A171-Y175 PolarHBondContact O-N 3.05Å
172	A	98.2	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-38.8	177.9	0	0	0	0	0	112.9	I86 F108 L159 K170 Y175 L176	I86-A172 HydrophobicContact CD1-CB 4.49Å; I86-A172 HydrophobicContact CG1-CB 4.22Å; I86-A172 HydrophobicContact CG2-CB 4.22Å; F108-A172 HydrophobicContact CD1-CB 4.09Å; F108-A172 HydrophobicContact CE1-CB 4.43Å; L159-A172 HydrophobicContact CD2-CB 3.87Å; K170-A172 VanDerWaalsContact C-N 3.33Å; K170-A172 PolarHBondContact O-N 3.13Å; A172-Y175 PolarHBondContact O-N 3.02Å; A172-L176 WeakPolarHBondContact O-CG 3.16Å; A172-L176 PolarHBondContact O-N 2.92Å; A172-L176 VanDerWaalsContact O-N 3.09Å
173	T	98.5	Very high	98	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.074	20%	0.204	C	C	.	.	H	α-helix	trans	-68.7	-37.2	176.2	62.8	0	0	0	0	112.2	L159 I160 L163 I168 K170 A171 L176 N177	L159-T173 HydrophobicContact CB-CG2 3.84Å; L159-T173 HydrophobicContact CD2-CG2 4.35Å; I160-T173 HydrophobicContact CD1-CG2 4.23Å; L163-T173 HydrophobicContact CB-CG2 4.41Å; L163-T173 HydrophobicContact CD2-CG2 4.1Å; I168-T173 HydrophobicContact CD1-CG2 4.32Å; K170-T173 PolarHBondContact O-N 2.91Å; K170-T173 PolarHBondContact O-OG1 2.97Å; A171-T173 PolarHBondContact O-N 2.88Å; T173-L176 PolarHBondContact O-N 3.16Å; T173-N177 WeakPolarHBondContact O-CB 3.45Å; T173-N177 PolarHBondContact O-N 3.41Å
174	Q	98.5	Very high	98	Very high	64 Å²	64	42.7 Å²	42.7	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-65.6	-42.3	174.9	-67.9	179	-85.4	0	0	111	A113 K170 A171 N177 R178	A113-Q174 HydrophobicContact CB-CB 4.29Å; K170-Q174 WeakPolarHBondContact O-CG 3.28Å; K170-Q174 PolarHBondContact O-N 2.9Å; A171-Q174 PolarHBondContact O-N 3.45Å; Q174-N177 WeakPolarHBondContact O-CB 3.26Å; Q174-N177 PolarHBondContact O-N 3.21Å; Q174-R178 PolarHBondContact O-N 3.17Å
175	Y	98.8	Very high	98	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-58.8	-49.3	174.7	-177.6	-90.1	0	0	0	112.1	T82 I86 F108 Y112 L116 A171 A172 N177 R178 L179	T82-Y175 WeakPolarHBondContact CB-OH 3.18Å; T82-Y175 HydrophobicContact CG2-CD2 4.14Å; T82-Y175 HydrophobicContact CG2-CE1 3.92Å; T82-Y175 HydrophobicContact CG2-CE2 3.53Å; T82-Y175 PolarHBondContact OG1-OH 2.82Å; I86-Y175 HydrophobicContact CD1-CD1 3.4Å; I86-Y175 HydrophobicContact CD1-CE1 4.01Å; I86-Y175 HydrophobicContact CD1-CG 4.08Å; F108-Y175 HydrophobicContact CE1-CG 4.18Å; F108-Y175 HydrophobicContact CZ-CD1 4.35Å; F108-Y175 HydrophobicContact CZ-CD2 4.07Å; F108-Y175 AromaticContact CZ-CG 3.87Å; F108-Y175 HydrophobicContact CZ-CG 3.87Å; Y112-Y175 WeakPolarHBondContact O-CD2 3.46Å; Y112-Y175 WeakPolarHBondContact O-CE2 3.34Å; L116-Y175 HydrophobicContact CD1-CD1 4.34Å; L116-Y175 HydrophobicContact CD1-CD2 3.62Å; L116-Y175 HydrophobicContact CD1-CE1 4.15Å; L116-Y175 HydrophobicContact CD1-CE2 3.36Å; L116-Y175 HydrophobicContact CD1-CG 4.11Å; L116-Y175 HydrophobicContact CD2-CE2 3.93Å; L116-Y175 HydrophobicContact CG-CD2 4.05Å; L116-Y175 HydrophobicContact CG-CE2 3.59Å; A171-Y175 PolarHBondContact O-N 3.05Å; A172-Y175 PolarHBondContact O-N 3.02Å; Y175-N177 PolarHBondContact O-N 3.12Å; Y175-R178 PolarHBondContact O-N 2.95Å; Y175-R178 VanDerWaalsContact O-N 3.11Å; Y175-L179 HydrophobicContact CE1-CB 4.34Å; Y175-L179 HydrophobicContact CE1-CD2 3.99Å; Y175-L179 WeakPolarHBondContact O-CB 3.41Å; Y175-L179 PolarHBondContact O-N 3.49Å
176	L	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-30.3	177.2	-65.4	176.7	0	0	0	112.6	L53 L83 I86 C152 R153 A155 E156 L159 A172 T173 L179 S180	L53-L176 HydrophobicContact CD2-CD2 4.09Å; L83-L176 HydrophobicContact CD2-CD2 3.74Å; I86-L176 HydrophobicContact CD1-CD2 4.22Å; I86-L176 HydrophobicContact CD1-CG 4.28Å; C152-L176 PolarHBondContact SG-O 3.26Å; R153-L176 PolarHBondContact NH2-O 3.07Å; A155-L176 HydrophobicContact CB-CD1 4.18Å; E156-L176 HydrophobicContact CB-CB 3.91Å; E156-L176 HydrophobicContact CB-CD1 4.39Å; E156-L176 HydrophobicContact CG-CB 4.25Å; L159-L176 HydrophobicContact CD1-CD1 4.08Å; L159-L176 HydrophobicContact CD2-CD1 3.9Å; A172-L176 WeakPolarHBondContact O-CG 3.16Å; A172-L176 PolarHBondContact O-N 2.92Å; A172-L176 VanDerWaalsContact O-N 3.09Å; T173-L176 PolarHBondContact O-N 3.16Å; L176-L179 HydrophobicContact CD2-CD2 4.29Å; L176-S180 PolarHBondContact O-N 2.93Å
177	N	98.6	Very high	98.1	Very high	47 Å²	47	27 Å²	27	25%	0.251	13%	0.129	S	C	.	.	H	α-helix	trans	-65.9	-40.8	171.9	-168.9	-96.8	0	0	0	112.3	R153 E156 T173 Q174 Y175	R153-N177 PolarHBondContact NH2-O 2.85Å; E156-N177 PolarHBondContact OE1-ND2 2.9Å; T173-N177 WeakPolarHBondContact O-CB 3.45Å; T173-N177 PolarHBondContact O-N 3.41Å; Q174-N177 WeakPolarHBondContact O-CB 3.26Å; Q174-N177 PolarHBondContact O-N 3.21Å; Y175-N177 PolarHBondContact O-N 3.12Å
178	R	98.7	Very high	98.1	Very high	83 Å²	83	26.7 Å²	26.7	31%	0.313	13%	0.127	S	C	.	.	H	α-helix	trans	-73.6	-38.8	173.2	-63.8	-50.3	-170.1	-112.3	-0.5	112.7	A113 L116 D117 Q174 Y175 S180 D181 L182	A113-R178 HydrophobicContact CB-CG 4.34Å; L116-R178 HydrophobicContact CB-CB 3.77Å; L116-R178 HydrophobicContact CD1-CB 3.87Å; L116-R178 HydrophobicContact CG-CB 4.46Å; D117-R178 VanDerWaalsContact CG-NE 3.33Å; D117-R178 WeakPolarHBondContact OD1-CD 3.22Å; D117-R178 IonicContact OD1-NE 3.78Å; D117-R178 PolarHBondContact OD1-NE 3.47Å; D117-R178 IonicContact OD2-CZ 2.65Å; D117-R178 IonicContact OD2-NE 2.84Å; D117-R178 PolarHBondContact OD2-NE 3.44Å; D117-R178 IonicContact OD2-NH2 3.65Å; Q174-R178 PolarHBondContact O-N 3.17Å; Y175-R178 PolarHBondContact O-N 2.95Å; Y175-R178 VanDerWaalsContact O-N 3.11Å; R178-S180 VanDerWaalsContact C-N 3.35Å; R178-S180 PolarHBondContact O-N 3.27Å; R178-D181 WeakPolarHBondContact O-CA 3.47Å; R178-D181 WeakPolarHBondContact O-CB 3.15Å; R178-D181 PolarHBondContact O-N 2.9Å; R178-L182 PolarHBondContact O-N 3.1Å
179	L	98.9	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.2	-41.5	-177.3	177.5	57.2	0	0	0	112.6	L53 I79 L83 L116 Y175 L176 D181 L182 L183	L53-L179 HydrophobicContact CD2-CD2 3.86Å; I79-L179 HydrophobicContact CD1-CD1 3.74Å; I79-L179 HydrophobicContact CG1-CD1 4.03Å; I79-L179 HydrophobicContact CG2-CD1 3.63Å; I79-L179 HydrophobicContact CG2-CD2 3.7Å; I79-L179 HydrophobicContact CG2-CG 4.34Å; L83-L179 HydrophobicContact CD1-CD2 4.43Å; L83-L179 HydrophobicContact CD2-CD2 4.14Å; L83-L179 HydrophobicContact CG-CD2 4.49Å; L116-L179 HydrophobicContact CD1-CB 3.75Å; L116-L179 HydrophobicContact CD1-CD1 4.49Å; Y175-L179 HydrophobicContact CE1-CB 4.34Å; Y175-L179 HydrophobicContact CE1-CD2 3.99Å; Y175-L179 WeakPolarHBondContact O-CB 3.41Å; Y175-L179 PolarHBondContact O-N 3.49Å; L176-L179 HydrophobicContact CD2-CD2 4.29Å; L179-D181 VanDerWaalsContact C-N 3.28Å; L179-D181 PolarHBondContact O-N 2.98Å; L179-L182 HydrophobicContact CD1-CD2 4.44Å; L179-L182 PolarHBondContact O-N 3.03Å; L179-L183 HydrophobicContact CD1-CD1 4.31Å; L179-L183 HydrophobicContact CD1-CG 4.15Å; L179-L183 HydrophobicContact CG-CD1 4.09Å; L179-L183 HydrophobicContact CG-CG 4.41Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.59Å
180	S	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.9	-25.5	177.4	128.9	0	0	0	0	113.1	R149 R153 L176 R178 L183 F184	R149-S180 WeakPolarHBondContact CD-O 3.41Å; R149-S180 VanDerWaalsContact CG-O 3.29Å; R149-S180 WeakPolarHBondContact CG-O 3.4Å; R149-S180 VanDerWaalsContact CG-OG 3.25Å; R149-S180 WeakPolarHBondContact CG-OG 3.3Å; R153-S180 WeakPolarHBondContact CG-OG 3.04Å; R153-S180 PolarHBondContact NE-OG 3.06Å; R153-S180 VanDerWaalsContact NE-OG 3.09Å; R153-S180 PolarHBondContact NH1-OG 3.48Å; R153-S180 PolarHBondContact NH2-OG 3.09Å; L176-S180 PolarHBondContact O-N 2.93Å; R178-S180 VanDerWaalsContact C-N 3.35Å; R178-S180 PolarHBondContact O-N 3.27Å; S180-L183 PolarHBondContact O-N 3.28Å; S180-F184 PolarHBondContact O-N 2.66Å
181	D	98.5	Very high	98.2	Very high	64 Å²	64	18 Å²	18	34%	0.342	8%	0.084	S	C	.	.	H	α-helix	trans	-72.5	-41.5	173.9	-63.3	-4.7	0	0	0	109.6	I120 R153 R178 L179 L183 F184 V185	I120-D181 HydrophobicContact CD1-CB 4.02Å; R153-D181 IonicContact CZ-OD1 2.66Å; R153-D181 IonicContact NH1-OD1 2.83Å; R153-D181 PolarHBondContact NH1-OD1 2.82Å; R153-D181 IonicContact NH2-OD1 2.75Å; R178-D181 WeakPolarHBondContact O-CA 3.47Å; R178-D181 WeakPolarHBondContact O-CB 3.15Å; R178-D181 PolarHBondContact O-N 2.9Å; L179-D181 VanDerWaalsContact C-N 3.28Å; L179-D181 PolarHBondContact O-N 2.98Å; D181-L183 PolarHBondContact O-N 3.24Å; D181-F184 WeakPolarHBondContact O-CB 3.48Å; D181-F184 PolarHBondContact O-N 2.8Å; D181-F184 VanDerWaalsContact O-N 3.16Å; D181-V185 WeakPolarHBondContact O-CG2 3.36Å; D181-V185 PolarHBondContact O-N 3Å
182	L	98.8	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.1	-45.8	168.9	178.6	64.1	0	0	0	112	I79 L116 W119 I120 Y123 R178 L179 F184 V185 L186	I79-L182 HydrophobicContact CD1-CD2 3.9Å; L116-L182 HydrophobicContact CD2-CD2 3.79Å; W119-L182 HydrophobicContact CB-CD1 4.02Å; W119-L182 HydrophobicContact CB-CD2 4.48Å; W119-L182 HydrophobicContact CE3-CD2 3.76Å; W119-L182 HydrophobicContact CZ3-CD2 4.46Å; I120-L182 HydrophobicContact CD1-CB 4.17Å; I120-L182 HydrophobicContact CG1-CB 3.77Å; I120-L182 HydrophobicContact CG1-CD1 4Å; I120-L182 HydrophobicContact CG1-CG 4.49Å; Y123-L182 HydrophobicContact CD2-CD1 4.03Å; R178-L182 PolarHBondContact O-N 3.1Å; L179-L182 HydrophobicContact CD1-CD2 4.44Å; L179-L182 PolarHBondContact O-N 3.03Å; L182-F184 PolarHBondContact O-N 3.12Å; L182-V185 PolarHBondContact O-N 3.27Å; L182-V185 VanDerWaalsContact O-N 3.11Å; L182-L186 HydrophobicContact CD1-CD1 4.17Å; L182-L186 HydrophobicContact CD1-CD2 4.45Å; L182-L186 HydrophobicContact CD1-CG 3.92Å; L182-L186 HydrophobicContact CD2-CD1 4.36Å; L182-L186 HydrophobicContact CG-CD1 3.91Å; L182-L186 HydrophobicContact CG-CG 4.1Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.5Å
183	L	98.7	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-32.5	177.4	-73	167.6	0	0	0	112	L53 M60 M145 A148 R149 C152 L179 S180 D181 G187	L53-L183 HydrophobicContact CD1-CD1 4.39Å; M60-L183 HydrophobicContact CE-CD2 3.94Å; M145-L183 HydrophobicContact SD-CD2 3.96Å; A148-L183 HydrophobicContact CB-CD1 4.22Å; A148-L183 HydrophobicContact CB-CD2 4.31Å; R149-L183 HydrophobicContact CB-CB 4.02Å; C152-L183 HydrophobicContact CB-CD1 3.88Å; L179-L183 HydrophobicContact CD1-CD1 4.31Å; L179-L183 HydrophobicContact CD1-CG 4.15Å; L179-L183 HydrophobicContact CG-CD1 4.09Å; L179-L183 HydrophobicContact CG-CG 4.41Å; L179-L183 WeakPolarHBondContact O-CB 3.4Å; L179-L183 VanDerWaalsContact O-CG 3.25Å; L179-L183 WeakPolarHBondContact O-CG 3.39Å; L179-L183 PolarHBondContact O-N 2.59Å; S180-L183 PolarHBondContact O-N 3.28Å; D181-L183 PolarHBondContact O-N 3.24Å; L183-G187 PolarHBondContact O-N 2.91Å
184	F	98.2	Very high	97.8	Very high	56 Å²	56	28.8 Å²	28.8	25%	0.246	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-51.5	170.7	178.6	-100.9	0	0	0	111.1	L130 I134 S180 D181 L182 L186 G187 R188	L130-F184 HydrophobicContact CD2-CE1 4.07Å; L130-F184 HydrophobicContact CD2-CZ 3.98Å; I134-F184 HydrophobicContact CD1-CE2 3.54Å; I134-F184 HydrophobicContact CD1-CZ 3.58Å; I134-F184 HydrophobicContact CG1-CE2 3.73Å; I134-F184 HydrophobicContact CG1-CZ 3.82Å; S180-F184 PolarHBondContact O-N 2.66Å; D181-F184 WeakPolarHBondContact O-CB 3.48Å; D181-F184 PolarHBondContact O-N 2.8Å; D181-F184 VanDerWaalsContact O-N 3.16Å; L182-F184 PolarHBondContact O-N 3.12Å; F184-L186 PolarHBondContact O-N 2.94Å; F184-G187 PolarHBondContact O-N 3.01Å; F184-R188 HydrophobicContact CE1-CG 4.41Å; F184-R188 WeakPolarHBondContact O-CG 3.47Å; F184-R188 PolarHBondContact O-N 3.11Å
185	V	98.1	Very high	97.6	Very high	16 Å²	16	32.9 Å²	32.9	10%	0.097	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-45.8	179.6	173.2	0	0	0	0	111.2	I120 A124 L127 D181 L182 G187 R188 Y189	I120-V185 HydrophobicContact CG2-CG2 4.24Å; A124-V185 HydrophobicContact CB-CG1 4.19Å; L127-V185 HydrophobicContact CD1-CG1 4Å; D181-V185 WeakPolarHBondContact O-CG2 3.36Å; D181-V185 PolarHBondContact O-N 3Å; L182-V185 PolarHBondContact O-N 3.27Å; L182-V185 VanDerWaalsContact O-N 3.11Å; V185-G187 VanDerWaalsContact C-N 3.35Å; V185-G187 PolarHBondContact O-N 3.39Å; V185-R188 WeakPolarHBondContact O-CB 3.43Å; V185-R188 PolarHBondContact O-N 2.74Å; V185-Y189 WeakPolarHBondContact O-CB 3.1Å; V185-Y189 PolarHBondContact O-N 2.94Å
186	L	98.2	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.2	-41.1	176	-72.9	179.4	0	0	0	111.8	V72 L76 Y123 M145 L182 F184 R188 Y189 V190	V72-L186 HydrophobicContact CG1-CD1 4.33Å; V72-L186 HydrophobicContact CG1-CD2 4.04Å; V72-L186 HydrophobicContact CG2-CD2 4.24Å; L76-L186 HydrophobicContact CD2-CD1 4.27Å; Y123-L186 HydrophobicContact CD1-CD2 4.04Å; Y123-L186 HydrophobicContact CD2-CD2 3.6Å; Y123-L186 HydrophobicContact CE1-CD2 4.1Å; Y123-L186 HydrophobicContact CE2-CD2 3.69Å; Y123-L186 HydrophobicContact CG-CD2 3.8Å; M145-L186 HydrophobicContact CE-CB 4.33Å; M145-L186 HydrophobicContact SD-CB 4.08Å; L182-L186 HydrophobicContact CD1-CD1 4.17Å; L182-L186 HydrophobicContact CD1-CD2 4.45Å; L182-L186 HydrophobicContact CD1-CG 3.92Å; L182-L186 HydrophobicContact CD2-CD1 4.36Å; L182-L186 HydrophobicContact CG-CD1 3.91Å; L182-L186 HydrophobicContact CG-CG 4.1Å; L182-L186 WeakPolarHBondContact O-CB 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.5Å; F184-L186 PolarHBondContact O-N 2.94Å; L186-R188 VanDerWaalsContact C-N 3.29Å; L186-R188 PolarHBondContact O-N 3.15Å; L186-Y189 PolarHBondContact O-N 3.18Å; L186-Y189 VanDerWaalsContact O-N 3.14Å; L186-V190 WeakPolarHBondContact O-CG1 3.31Å; L186-V190 VanDerWaalsContact O-CG2 3.29Å; L186-V190 WeakPolarHBondContact O-CG2 3.37Å; L186-V190 PolarHBondContact O-N 3.02Å
187	G	97.6	Very high	96.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-54.5	-45.6	173.9	0	0	0	0	0	112.5	S142 L183 F184 V185 V190 C191	S142-G187 WeakPolarHBondContact CB-O 3.47Å; S142-G187 PolarHBondContact OG-O 2.94Å; L183-G187 PolarHBondContact O-N 2.91Å; F184-G187 PolarHBondContact O-N 3.01Å; V185-G187 VanDerWaalsContact C-N 3.35Å; V185-G187 PolarHBondContact O-N 3.39Å; G187-V190 WeakPolarHBondContact O-CG2 3.09Å; G187-C191 WeakPolarHBondContact O-CB 3.47Å; G187-C191 PolarHBondContact O-N 3.49Å
188	R	97.1	Very high	96.4	Very high	15 Å²	15	39.6 Å²	39.6	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-44.4	174.9	-51.8	-166.1	60	-141.9	-7.1	112.1	L127 P128 I134 F184 V185 L186 C191 R192 E198	L127-R188 HydrophobicContact CD1-CB 3.62Å; L127-R188 HydrophobicContact CD1-CG 4.42Å; L127-R188 HydrophobicContact CD2-CB 3.82Å; L127-R188 HydrophobicContact CG-CB 4.39Å; P128-R188 PolarHBondContact O-NH1 2.93Å; P128-R188 PolarHBondContact O-NH2 3.39Å; P128-R188 VanDerWaalsContact O-NH2 3.08Å; I134-R188 HydrophobicContact CD1-CG 3.75Å; F184-R188 HydrophobicContact CE1-CG 4.41Å; F184-R188 WeakPolarHBondContact O-CG 3.47Å; F184-R188 PolarHBondContact O-N 3.11Å; V185-R188 WeakPolarHBondContact O-CB 3.43Å; V185-R188 PolarHBondContact O-N 2.74Å; L186-R188 VanDerWaalsContact C-N 3.29Å; L186-R188 PolarHBondContact O-N 3.15Å; R188-C191 WeakPolarHBondContact O-CB 3.5Å; R188-C191 PolarHBondContact O-N 2.99Å; R188-R192 PolarHBondContact O-N 2.83Å; R188-E198 WeakPolarHBondContact CB-OE1 3.42Å; R188-E198 WeakPolarHBondContact CD-OE1 3.42Å; R188-E198 WeakPolarHBondContact CG-OE1 3.32Å; R188-E198 IonicContact CZ-OE1 3.85Å; R188-E198 IonicContact CZ-OE2 3.45Å; R188-E198 IonicContact NE-OE1 3.36Å; R188-E198 PolarHBondContact NE-OE1 3.35Å; R188-E198 IonicContact NE-OE2 2.85Å; R188-E198 PolarHBondContact NE-OE2 2.88Å; R188-E198 IonicContact NH2-OE1 3.98Å; R188-E198 IonicContact NH2-OE2 2.85Å; R188-E198 PolarHBondContact NH2-OE2 3.24Å
189	Y	97.7	Very high	96.1	Very high	15 Å²	15	38.1 Å²	38.1	6%	0.059	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-48.8	-177.4	177.2	-99.8	0	0	0	111.6	D71 V72 Y123 D126 V185 L186 C191 R192 K193	D71-Y189 PolarHBondContact OD2-OH 3.31Å; V72-Y189 HydrophobicContact CG2-CD1 3.8Å; V72-Y189 HydrophobicContact CG2-CE1 3.55Å; Y123-Y189 AromaticContact CD1-CD1 3.74Å; Y123-Y189 HydrophobicContact CD1-CD1 3.74Å; Y123-Y189 AromaticContact CD1-CD2 3.88Å; Y123-Y189 HydrophobicContact CD1-CD2 3.88Å; Y123-Y189 AromaticContact CD1-CE1 3.66Å; Y123-Y189 HydrophobicContact CD1-CE1 3.66Å; Y123-Y189 AromaticContact CD1-CE2 3.81Å; Y123-Y189 HydrophobicContact CD1-CE2 3.81Å; Y123-Y189 AromaticContact CD1-CG 3.84Å; Y123-Y189 HydrophobicContact CD1-CG 3.84Å; Y123-Y189 AromaticContact CD1-CZ 3.68Å; Y123-Y189 HydrophobicContact CE1-CD1 4.09Å; Y123-Y189 AromaticContact CE1-CE1 3.69Å; Y123-Y189 HydrophobicContact CE1-CE1 3.69Å; Y123-Y189 HydrophobicContact CE1-CE2 4.46Å; Y123-Y189 AromaticContact CE1-CZ 3.88Å; D126-Y189 HydrophobicContact CB-CD2 4.39Å; D126-Y189 HydrophobicContact CB-CE2 4.21Å; V185-Y189 WeakPolarHBondContact O-CB 3.1Å; V185-Y189 PolarHBondContact O-N 2.94Å; L186-Y189 PolarHBondContact O-N 3.18Å; L186-Y189 VanDerWaalsContact O-N 3.14Å; Y189-C191 PolarHBondContact O-N 3.07Å; Y189-R192 PolarHBondContact O-N 3.48Å; Y189-K193 HydrophobicContact CD1-CG 4.2Å; Y189-K193 HydrophobicContact CD2-CG 4.39Å; Y189-K193 HydrophobicContact CE1-CG 3.9Å; Y189-K193 HydrophobicContact CE2-CD 4.34Å; Y189-K193 HydrophobicContact CE2-CG 4.08Å; Y189-K193 HydrophobicContact CG-CG 4.46Å; Y189-K193 WeakPolarHBondContact O-CG 3.48Å; Y189-K193 PolarHBondContact O-N 3.08Å; Y189-K193 VanDerWaalsContact OH-CE 3.3Å; Y189-K193 WeakPolarHBondContact OH-CE 3.46Å
190	V	97.5	Very high	95.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.7	-37.6	179	-57.3	0	0	0	0	111.6	L69 V72 L141 M145 L186 G187 R192 K193 T194	L69-V190 HydrophobicContact CD1-CB 3.93Å; L69-V190 HydrophobicContact CD1-CG1 3.83Å; V72-V190 HydrophobicContact CG1-CG1 4.34Å; V72-V190 HydrophobicContact CG2-CG1 4.36Å; L141-V190 HydrophobicContact CD2-CB 3.94Å; L141-V190 HydrophobicContact CD2-CG1 4.27Å; L141-V190 HydrophobicContact CD2-CG2 4.19Å; L141-V190 HydrophobicContact CG-CB 4.15Å; L141-V190 HydrophobicContact CG-CG2 3.82Å; M145-V190 HydrophobicContact CE-CG1 4.35Å; M145-V190 HydrophobicContact CG-CG2 4.4Å; L186-V190 WeakPolarHBondContact O-CG1 3.31Å; L186-V190 VanDerWaalsContact O-CG2 3.29Å; L186-V190 WeakPolarHBondContact O-CG2 3.37Å; L186-V190 PolarHBondContact O-N 3.02Å; G187-V190 WeakPolarHBondContact O-CG2 3.09Å; V190-R192 VanDerWaalsContact C-N 3.34Å; V190-R192 PolarHBondContact O-N 3.44Å; V190-K193 PolarHBondContact O-N 2.72Å; V190-T194 WeakPolarHBondContact O-CB 3.43Å; V190-T194 WeakPolarHBondContact O-CG2 3.36Å; V190-T194 PolarHBondContact O-N 3.28Å; V190-T194 PolarHBondContact O-OG1 3.08Å
191	C	96	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-47.9	173.3	-168.3	0	0	0	0	110.8	G187 R188 Y189 T194 N195 D196 E198	G187-C191 WeakPolarHBondContact O-CB 3.47Å; G187-C191 PolarHBondContact O-N 3.49Å; R188-C191 WeakPolarHBondContact O-CB 3.5Å; R188-C191 PolarHBondContact O-N 2.99Å; Y189-C191 PolarHBondContact O-N 3.07Å; C191-T194 PolarHBondContact O-N 3.23Å; C191-T194 PolarHBondContact O-OG1 2.92Å; C191-N195 PolarHBondContact O-N 3.42Å; C191-D196 PolarHBondContact O-N 3.09Å; C191-D196 VanDerWaalsContact SG-C 3.59Å; C191-D196 PolarHBondContact SG-O 3.29Å; C191-D196 VanDerWaalsContact SG-O 3.34Å; C191-E198 HydrophobicContact CB-CG 4.49Å
192	R	95.5	Very high	94.8	Very high	114 Å²	114	45.7 Å²	45.7	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-46.3	176.9	179.8	179.5	171.2	102.9	-16.9	112.5	D126 L127 R188 Y189 V190 T194 N195	D126-R192 VanDerWaalsContact O-CD 3.31Å; D126-R192 WeakPolarHBondContact O-CD 3.48Å; D126-R192 PolarHBondContact O-NE 3.19Å; D126-R192 PolarHBondContact O-NH2 3.36Å; D126-R192 IonicContact OD1-NE 3.34Å; D126-R192 IonicContact OD1-NH2 3.57Å; L127-R192 HydrophobicContact CD2-CB 4.48Å; R188-R192 PolarHBondContact O-N 2.83Å; Y189-R192 PolarHBondContact O-N 3.48Å; V190-R192 VanDerWaalsContact C-N 3.34Å; V190-R192 PolarHBondContact O-N 3.44Å; R192-T194 PolarHBondContact O-N 3.34Å; R192-N195 PolarHBondContact O-N 3.49Å
193	K	96.6	Very high	94.3	Very high	87 Å²	87	53.6 Å²	53.6	38%	0.378	25%	0.246	S	C	.	.	H	α-helix	trans	-67.1	-23.4	-177.4	-69.9	-65.5	-178.8	-171.4	0	113.9	L69 D126 Y189 V190 N195	L69-K193 HydrophobicContact CD2-CB 3.61Å; L69-K193 HydrophobicContact CD2-CG 4.11Å; D126-K193 WeakPolarHBondContact OD2-CE 3.35Å; D126-K193 IonicContact OD2-NZ 3.19Å; D126-K193 PolarHBondContact OD2-NZ 3.03Å; Y189-K193 HydrophobicContact CD1-CG 4.2Å; Y189-K193 HydrophobicContact CD2-CG 4.39Å; Y189-K193 HydrophobicContact CE1-CG 3.9Å; Y189-K193 HydrophobicContact CE2-CD 4.34Å; Y189-K193 HydrophobicContact CE2-CG 4.08Å; Y189-K193 HydrophobicContact CG-CG 4.46Å; Y189-K193 WeakPolarHBondContact O-CG 3.48Å; Y189-K193 PolarHBondContact O-N 3.08Å; Y189-K193 VanDerWaalsContact OH-CE 3.3Å; Y189-K193 WeakPolarHBondContact OH-CE 3.46Å; V190-K193 PolarHBondContact O-N 2.72Å; K193-N195 VanDerWaalsContact C-N 3.32Å
194	T	94.7	Very high	93.7	Very high	42 Å²	42	62.8 Å²	62.8	26%	0.258	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	4.1	175.1	47.7	0	0	0	0	113	A67 L69 N139 V190 C191 R192 D196	A67-T194 HydrophobicContact CB-CG2 4.32Å; L69-T194 HydrophobicContact CD1-CG2 4.44Å; N139-T194 PolarHBondContact ND2-OG1 3.02Å; V190-T194 WeakPolarHBondContact O-CB 3.43Å; V190-T194 WeakPolarHBondContact O-CG2 3.36Å; V190-T194 PolarHBondContact O-N 3.28Å; V190-T194 PolarHBondContact O-OG1 3.08Å; C191-T194 PolarHBondContact O-N 3.23Å; C191-T194 PolarHBondContact O-OG1 2.92Å; R192-T194 PolarHBondContact O-N 3.34Å; T194-D196 PolarHBondContact O-N 2.93Å
195	N	93	Very high	92.9	Very high	150 Å²	150	66.9 Å²	66.9	80%	0.802	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	28.2	-177.3	-54.1	-69.6	0	0	0	114.1	C191 R192 K193	C191-N195 PolarHBondContact O-N 3.42Å; R192-N195 PolarHBondContact O-N 3.49Å; K193-N195 VanDerWaalsContact C-N 3.32Å
196	D	92	Very high	92	Very high	75 Å²	75	71.6 Å²	71.6	40%	0.401	34%	0.341	S	S	.	.			trans	-95.4	158	171.2	-76.4	-63.4	0	0	0	111	N139 C191 T194	N139-D196 HydrophobicContact CB-CB 4.14Å; N139-D196 WeakPolarHBondContact CB-OD2 3.23Å; N139-D196 PolarHBondContact ND2-OD2 3.37Å; C191-D196 PolarHBondContact O-N 3.09Å; C191-D196 VanDerWaalsContact SG-C 3.59Å; C191-D196 PolarHBondContact SG-O 3.29Å; C191-D196 VanDerWaalsContact SG-O 3.34Å; T194-D196 PolarHBondContact O-N 2.93Å
197	E	89	Confident	91	Very high	94 Å²	94	83.3 Å²	83.3	44%	0.439	39%	0.385	S	S	.	.			trans	-104.5	137.5	-174.8	-68.2	164	146.3	0	0	112.1	G138 K227	G138-E197 WeakPolarHBondContact CA-O 3.31Å; E197-K227 HydrophobicContact CB-CG 4.36Å; E197-K227 WeakPolarHBondContact OE2-CD 3.17Å; E197-K227 WeakPolarHBondContact OE2-CE 3.47Å; E197-K227 IonicContact OE2-NZ 2.6Å; E197-K227 PolarHBondContact OE2-NZ 3.05Å
198	E	91.6	Very high	89.8	Confident	20 Å²	20	92.3 Å²	92.3	9%	0.093	42%	0.424	C	S	.	.			trans	-74.2	154.6	169.6	-58.3	-177.7	106.4	0	0	110.3	I134 R188 C191 I228	I134-E198 VanDerWaalsContact CD1-OE1 3.23Å; I134-E198 WeakPolarHBondContact CD1-OE1 3.42Å; I134-E198 HydrophobicContact CG2-CB 4.32Å; R188-E198 WeakPolarHBondContact CB-OE1 3.42Å; R188-E198 WeakPolarHBondContact CD-OE1 3.42Å; R188-E198 WeakPolarHBondContact CG-OE1 3.32Å; R188-E198 IonicContact CZ-OE1 3.85Å; R188-E198 IonicContact CZ-OE2 3.45Å; R188-E198 IonicContact NE-OE1 3.36Å; R188-E198 PolarHBondContact NE-OE1 3.35Å; R188-E198 IonicContact NE-OE2 2.85Å; R188-E198 PolarHBondContact NE-OE2 2.88Å; R188-E198 IonicContact NH2-OE1 3.98Å; R188-E198 IonicContact NH2-OE2 2.85Å; R188-E198 PolarHBondContact NH2-OE2 3.24Å; C191-E198 HydrophobicContact CB-CG 4.49Å; E198-I228 HydrophobicContact CB-CD1 3.81Å; E198-I228 HydrophobicContact CB-CG1 3.8Å; E198-I228 WeakPolarHBondContact O-CG1 3.22Å; E198-I228 PolarHBondContact O-N 3.48Å
199	I	90.7	Very high	87.9	Confident	53 Å²	53	98.5 Å²	98.5	27%	0.272	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.8	179.8	-66.1	-176.9	0	0	0	108.6	I134 L135 Y226	I134-I199 CarbonylContact C-O 3.59Å; I134-I199 WeakPolarHBondContact CA-O 3.46Å; L135-I199 HydrophobicContact CB-CG2 4.43Å; L135-I199 HydrophobicContact CD1-CG2 3.82Å; L135-I199 HydrophobicContact CG-CG2 4.29Å; L135-I199 PolarHBondContact N-O 2.96Å; I199-Y226 CarbonylContact C-O 3.57Å; I199-Y226 WeakPolarHBondContact CA-O 3.31Å; I199-Y226 VanDerWaalsContact CG2-CB 3.42Å; I199-Y226 HydrophobicContact CG2-CG 4.23Å
200	A	90.6	Very high	85.9	Confident	0 Å²	0	106.9 Å²	106.9	0%	0	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	140.7	175.8	0	0	0	0	0	112.5	M132 F133 K202 Y226 I228	M132-A200 HydrophobicContact CB-CB 4.15Å; M132-A200 HydrophobicContact CE-CB 3.59Å; M132-A200 HydrophobicContact SD-CB 4.1Å; F133-A200 WeakPolarHBondContact O-CA 3.49Å; A200-K202 PolarHBondContact O-N 3.2Å; A200-Y226 PolarHBondContact N-O 2.97Å; A200-Y226 WeakPolarHBondContact O-CD1 3.31Å; A200-I228 HydrophobicContact CB-CG2 3.48Å; A200-I228 VanDerWaalsContact CB-CG2 3.48Å
201	Y	92	Very high	83.8	Confident	121 Å²	121	113.4 Å²	113.4	48%	0.475	54%	0.54	S	S	.	.			trans	-59.2	127.5	166.1	171.1	-95.9	0	0	0	110.2	F133 L135 K203	F133-Y201 WeakPolarHBondContact O-CB 3.48Å; F133-Y201 PolarHBondContact O-N 3.3Å; L135-Y201 HydrophobicContact CD2-CD2 4.11Å; Y201-K203 HydrophobicContact CE1-CB 4.12Å
202	K	87.9	Confident	81.5	Confident	101 Å²	101	117.8 Å²	117.8	44%	0.439	58%	0.576	S	S	.	*			trans	-117.6	124.2	167.4	-60.9	-172.2	173.7	-162.9	0	110.4	A200 K204 K225 Y226	A200-K202 PolarHBondContact O-N 3.2Å; K202-K204 PolarHBondContact O-N 3.5Å; K202-K225 WeakPolarHBondContact CE-O 3.23Å; K202-K225 PolarHBondContact NZ-O 3.46Å; K202-Y226 HydrophobicContact CB-CD1 3.99Å; K202-Y226 HydrophobicContact CB-CE1 3.69Å; K202-Y226 HydrophobicContact CD-CD1 3.72Å; K202-Y226 HydrophobicContact CD-CE1 3.91Å; K202-Y226 HydrophobicContact CD-CG 4.37Å; K202-Y226 HydrophobicContact CG-CD1 3.64Å; K202-Y226 HydrophobicContact CG-CE1 3.86Å
203	K	87.7	Confident	79.4	Confident	166 Å²	166	119.7 Å²	119.7	72%	0.722	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-58.3	121.6	175.5	-172.3	173.3	-176.1	174.9	0	109.8	Y201 L205	Y201-K203 HydrophobicContact CE1-CB 4.12Å; K203-L205 PolarHBondContact O-N 2.75Å
204	K	85.5	Confident	76.9	Confident	194 Å²	194	121.2 Å²	121.2	84%	0.843	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-68.9	118.8	173.6	-170.6	175.7	-177.6	178.8	0	108.9	K202	K202-K204 PolarHBondContact O-N 3.5Å
205	L	81.6	Confident	74.9	Confident	141 Å²	141	123.7 Å²	123.7	74%	0.738	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-79.6	140.7	170.3	-65.5	172.8	0	0	0	109.2	K203 R207	K203-L205 PolarHBondContact O-N 2.75Å; L205-R207 PolarHBondContact O-N 3.2Å
206	P	79.1	Confident	72.6	Confident	116 Å²	116	122.7 Å²	122.7	75%	0.753	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-58.2	136.5	175.5	22.7	-30.8	0	0	0	110	K208	P206-K208 PolarHBondContact O-N 3.31Å; P206-K208 VanDerWaalsContact O-N 3.14Å
207	R	77.6	Confident	70.6	Confident	245 Å²	245	122.1 Å²	122.1	93%	0.925	66%	0.658	S	S	*	*			trans	-65.1	115.2	177.7	-155.9	178.9	-158.3	171.4	5.4	107.1	L205 T209	L205-R207 PolarHBondContact O-N 3.2Å; R207-T209 PolarHBondContact O-N 3.31Å
208	K	71.7	Confident	68.8	Low	189 Å²	189	127.9 Å²	127.9	82%	0.822	68%	0.681	S	S	*	*			trans	-61	128.8	167.6	-71.2	-172.8	178	-177	0	107.3	P206 K210	P206-K208 PolarHBondContact O-N 3.31Å; P206-K208 VanDerWaalsContact O-N 3.14Å; K208-K210 PolarHBondContact O-N 3.46Å
209	T	58	Low	67	Low	146 Å²	146	133.4 Å²	133.4	90%	0.896	71%	0.712	S	S	*	*			trans	-53.1	102.8	174.1	-43.5	0	0	0	0	107.9	R207	R207-T209 PolarHBondContact O-N 3.31Å
210	K	56.3	Low	65.1	Low	191 Å²	191	138.4 Å²	138.4	83%	0.83	74%	0.739	S	S	*	*			trans	-82.9	127.6	168.6	-77	-166.7	173.7	-171.8	0	106.6	K208 A212	K208-K210 PolarHBondContact O-N 3.46Å; K210-A212 PolarHBondContact O-N 3.24Å
211	V	52.3	Low	63.5	Low	136 Å²	136	144.5 Å²	144.5	82%	0.824	77%	0.767	S	S	*	*			trans	-50.7	135.6	162.9	177.2	0	0	0	0	107.3	D213	V211-D213 PolarHBondContact O-N 3.08Å
212	A	49.2	Very low	62.6	Low	92 Å²	92	143.2 Å²	143.2	76%	0.76	77%	0.768	S	S	*	*			trans	-59.6	107	-171.8	0	0	0	0	0	110.4	K210	K210-A212 PolarHBondContact O-N 3.24Å
213	D	51.3	Low	62	Low	155 Å²	155	145.5 Å²	145.5	83%	0.829	78%	0.775	S	S	*	*			trans	-124.3	121.3	154.8	-82.5	-37.1	0	0	0	108.4	V211	V211-D213 PolarHBondContact O-N 3.08Å
214	S	44.1	Very low	61.5	Low	118 Å²	118	143.3 Å²	143.3	83%	0.825	77%	0.767	S	S	*	*			trans	-52.2	131.5	174.9	50.4	0	0	0	0	111.9
215	A	51.9	Low	61.3	Low	95 Å²	95	139.5 Å²	139.5	79%	0.785	75%	0.75	S	S	*	*				179.9	129.5	123.2	0	0	0	0	0	110	G217	A215-G217 PolarHBondContact O-N 3.43Å
216	S	45.1	Very low	61.3	Low	129 Å²	129	135.5 Å²	135.5	90%	0.902	73%	0.726	S	S	*	*			trans	-53.6	112.9	167.5	50.3	0	0	0	0	112.3
217	G	50.6	Low	61.3	Low	62 Å²	62	133.5 Å²	133.5	64%	0.639	71%	0.705	S	S	*	*			trans	-121.1	124.3	156	0	0	0	0	0	107.2	A215 D219	A215-G217 PolarHBondContact O-N 3.43Å; G217-D219 VanDerWaalsContact C-N 3.29Å; G217-D219 PolarHBondContact O-N 3.22Å
218	K	51.1	Low	61.3	Low	215 Å²	215	127.2 Å²	127.2	94%	0.935	69%	0.689	S	S	*	*			trans	-61.3	102.5	162.3	-75.3	179.8	177.4	178.1	0	105	N220	K218-N220 PolarHBondContact O-N 2.99Å
219	D	52.7	Low	60.8	Low	137 Å²	137	124.1 Å²	124.1	73%	0.733	68%	0.682	S	S	*	*			trans	-57.2	95.8	171.4	-97.2	-20	0	0	0	105.8	G217 H221	G217-D219 VanDerWaalsContact C-N 3.29Å; G217-D219 PolarHBondContact O-N 3.22Å; D219-H221 VanDerWaalsContact C-N 3.28Å; D219-H221 PolarHBondContact O-N 2.98Å
220	N	51.3	Low	60.9	Low	158 Å²	158	122.9 Å²	122.9	85%	0.845	67%	0.671	S	S	*	*			trans	-60.6	105.7	164.7	-142.2	15	0	0	0	102.8	K218 D222	K218-N220 PolarHBondContact O-N 2.99Å; N220-D222 VanDerWaalsContact C-N 3.29Å; N220-D222 PolarHBondContact O-N 2.92Å
221	H	57.9	Low	61.2	Low	128 Å²	128	119.2 Å²	119.2	59%	0.593	66%	0.662	S	S	*	*			trans	-62.3	97.2	-170	-82.2	-51.9	0	0	0	108.3	D219 W223	D219-H221 VanDerWaalsContact C-N 3.28Å; D219-H221 PolarHBondContact O-N 2.98Å; H221-W223 HydrophobicContact CB-CD2 4.32Å; H221-W223 HydrophobicContact CB-CG 4.46Å; H221-W223 HydrophobicContact CB-CZ2 3.87Å; H221-W223 AromaticContact CD2-CZ2 3.9Å; H221-W223 AromaticContact CG-CZ2 3.8Å; H221-W223 PolarHBondContact O-N 2.83Å
222	D	72.4	Confident	61.7	Low	93 Å²	93	118.2 Å²	118.2	50%	0.497	65%	0.652	S	S	.	*			trans	-77.9	81.1	178.2	-177.2	21.6	0	0	0	108.3	N220 Q224 K225	N220-D222 VanDerWaalsContact C-N 3.29Å; N220-D222 PolarHBondContact O-N 2.92Å; D222-Q224 PolarHBondContact O-N 3.16Å; D222-Q224 WeakPolarHBondContact OD1-CB 2.93Å; D222-Q224 WeakPolarHBondContact OD1-CG 3.24Å; D222-Q224 PolarHBondContact OD1-N 2.89Å; D222-Q224 VanDerWaalsContact OD1-N 3.14Å; D222-K225 WeakPolarHBondContact O-CG 3.31Å
223	W	75.9	Confident	62.5	Low	150 Å²	150	119.8 Å²	119.8	57%	0.568	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-71.1	-11.2	172.6	-52.9	102.1	0	0	0	111.5	H221 K225 Y226	H221-W223 HydrophobicContact CB-CD2 4.32Å; H221-W223 HydrophobicContact CB-CG 4.46Å; H221-W223 HydrophobicContact CB-CZ2 3.87Å; H221-W223 AromaticContact CD2-CZ2 3.9Å; H221-W223 AromaticContact CG-CZ2 3.8Å; H221-W223 PolarHBondContact O-N 2.83Å; W223-K225 PolarHBondContact O-N 2.99Å; W223-K225 VanDerWaalsContact O-N 3.17Å; W223-Y226 HydrophobicContact CE3-CD2 4.29Å; W223-Y226 HydrophobicContact CE3-CE2 4.1Å; W223-Y226 PolarHBondContact O-N 3.04Å
224	Q	77	Confident	63.3	Low	119 Å²	119	117.5 Å²	117.5	56%	0.556	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-59	-33.4	-178.9	-57.7	-73.1	-31.7	0	0	111.3	D222 Y226 K227	D222-Q224 PolarHBondContact O-N 3.16Å; D222-Q224 WeakPolarHBondContact OD1-CB 2.93Å; D222-Q224 WeakPolarHBondContact OD1-CG 3.24Å; D222-Q224 PolarHBondContact OD1-N 2.89Å; D222-Q224 VanDerWaalsContact OD1-N 3.14Å; Q224-Y226 PolarHBondContact O-N 3.04Å; Q224-K227 HydrophobicContact CB-CD 4.46Å; Q224-K227 PolarHBondContact O-N 3.11Å; Q224-K227 VanDerWaalsContact O-N 3.13Å
225	K	80.1	Confident	64.6	Low	115 Å²	115	117.4 Å²	117.4	50%	0.5	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-56.4	-23.9	176.5	74.1	-168.5	172.2	-169.4	0	113.3	K202 D222 W223	K202-K225 WeakPolarHBondContact CE-O 3.23Å; K202-K225 PolarHBondContact NZ-O 3.46Å; D222-K225 WeakPolarHBondContact O-CG 3.31Å; W223-K225 PolarHBondContact O-N 2.99Å; W223-K225 VanDerWaalsContact O-N 3.17Å
226	Y	81.6	Confident	65.6	Low	56 Å²	56	119.2 Å²	119.2	22%	0.22	61%	0.607	C	S	.	*	G	3₁₀ helix	trans	-91.7	-11.1	-177.3	-62.2	-94.8	0	0	0	114.5	I199 A200 K202 W223 Q224	I199-Y226 CarbonylContact C-O 3.57Å; I199-Y226 WeakPolarHBondContact CA-O 3.31Å; I199-Y226 VanDerWaalsContact CG2-CB 3.42Å; I199-Y226 HydrophobicContact CG2-CG 4.23Å; A200-Y226 PolarHBondContact N-O 2.97Å; A200-Y226 WeakPolarHBondContact O-CD1 3.31Å; K202-Y226 HydrophobicContact CB-CD1 3.99Å; K202-Y226 HydrophobicContact CB-CE1 3.69Å; K202-Y226 HydrophobicContact CD-CD1 3.72Å; K202-Y226 HydrophobicContact CD-CE1 3.91Å; K202-Y226 HydrophobicContact CD-CG 4.37Å; K202-Y226 HydrophobicContact CG-CD1 3.64Å; K202-Y226 HydrophobicContact CG-CE1 3.86Å; W223-Y226 HydrophobicContact CE3-CD2 4.29Å; W223-Y226 HydrophobicContact CE3-CE2 4.1Å; W223-Y226 PolarHBondContact O-N 3.04Å; Q224-Y226 PolarHBondContact O-N 3.04Å
227	K	79.7	Confident	67.3	Low	74 Å²	74	118.3 Å²	118.3	32%	0.322	58%	0.582	S	S	.	*	B	Isolated β-bridge	trans	-64.5	148.6	179.7	-66.8	169.8	163.4	-156.8	0	111.2	E197 Q224	E197-K227 HydrophobicContact CB-CG 4.36Å; E197-K227 WeakPolarHBondContact OE2-CD 3.17Å; E197-K227 WeakPolarHBondContact OE2-CE 3.47Å; E197-K227 IonicContact OE2-NZ 2.6Å; E197-K227 PolarHBondContact OE2-NZ 3.05Å; Q224-K227 HydrophobicContact CB-CD 4.46Å; Q224-K227 PolarHBondContact O-N 3.11Å; Q224-K227 VanDerWaalsContact O-N 3.13Å
228	I	77.7	Confident	68.8	Low	113 Å²	113	123.5 Å²	123.5	58%	0.579	58%	0.577	S	S	*	*			trans	-121.8	0	176.1	51.9	171.5	0	0	0	112.6	M132 I134 E198 A200	M132-I228 HydrophobicContact CE-CG2 3.32Å; I134-I228 HydrophobicContact CG2-CD1 3.78Å; E198-I228 HydrophobicContact CB-CD1 3.81Å; E198-I228 HydrophobicContact CB-CG1 3.8Å; E198-I228 WeakPolarHBondContact O-CG1 3.22Å; E198-I228 PolarHBondContact O-N 3.48Å; A200-I228 HydrophobicContact CB-CG2 3.48Å; A200-I228 VanDerWaalsContact CB-CG2 3.48Å

Retrieved 228 of 228 residues in 107.1 ms (Link to these results)

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