A0A060XCN6_ONCMY Loading...

Ubiquitin thioesterase

AlphaFold DB , UniProt , Accession A0A060XCN6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500704, Length 269 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	51.9	Low	48.4	Very low	188 Å²	188	127 Å²	127	93%	0.926	64%	0.644	S	S	*	*				0	-62.5	0	-60.5	-63.3	-91.7	0	0	113.2	E4	M1-E4 PolarHBondContact N-OE2 3.15Å
2	A	50.9	Low	48.3	Very low	76 Å²	76	119.5 Å²	119.5	63%	0.628	62%	0.622	S	S	*	*	H	α-helix	trans	-87.7	-28.4	179.6	0	0	0	0	0	114.6
3	E	47.7	Very low	48.4	Very low	165 Å²	165	120.9 Å²	120.9	77%	0.771	62%	0.624	S	S	*	*	H	α-helix	trans	-79.9	-28.4	178.9	-71.6	176.2	157.4	0	0	113.2	Q7	E3-Q7 PolarHBondContact O-N 2.95Å
4	E	47.8	Very low	48.4	Very low	124 Å²	124	122.9 Å²	122.9	58%	0.579	63%	0.632	S	S	*	*	H	α-helix	trans	-70.6	-35.3	175.5	-73.6	157.9	141	0	0	112.1	M1 Q6 Q7 E8	M1-E4 PolarHBondContact N-OE2 3.15Å; E4-Q6 PolarHBondContact O-N 3.3Å; E4-Q7 PolarHBondContact O-N 3.28Å; E4-E8 PolarHBondContact O-N 2.98Å
5	Q	47.7	Very low	48.5	Very low	132 Å²	132	123.6 Å²	123.6	62%	0.617	63%	0.631	S	S	*	*	H	α-helix	trans	-69.1	-31.5	177.7	-77.4	-178.9	-21.5	0	0	112.8	T9	Q5-T9 PolarHBondContact O-N 3.33Å; Q5-T9 PolarHBondContact O-OG1 3.21Å
6	Q	45.3	Very low	48.7	Very low	142 Å²	142	119.8 Å²	119.8	66%	0.664	62%	0.624	S	S	*	*	H	α-helix	trans	-74.1	-31.9	175.6	-90.8	176.7	-13	0	0	112.8	E4 T10	E4-Q6 PolarHBondContact O-N 3.3Å; Q6-T10 PolarHBondContact O-N 2.66Å; Q6-T10 PolarHBondContact O-OG1 3.2Å
7	Q	45.8	Very low	48.8	Very low	141 Å²	141	115.4 Å²	115.4	66%	0.659	62%	0.615	S	S	*	*	H	α-helix	trans	-70.5	-41.9	174.6	-82.4	-179.3	-19.9	0	0	112.6	E3 E4 T9 T10 Q11	E3-Q7 PolarHBondContact O-N 2.95Å; E4-Q7 PolarHBondContact O-N 3.28Å; Q7-T9 PolarHBondContact O-N 3.25Å; Q7-T10 PolarHBondContact O-N 2.58Å; Q7-Q11 PolarHBondContact O-N 2.92Å
8	E	49.3	Very low	49	Very low	138 Å²	138	110.9 Å²	110.9	65%	0.645	60%	0.6	S	S	*	*	H	α-helix	trans	-64.3	-37.5	176.2	-77.4	-177.6	156.3	0	0	112.7	E4 G12	E4-E8 PolarHBondContact O-N 2.98Å; E8-G12 PolarHBondContact O-N 2.95Å
9	T	50.3	Low	49.3	Very low	83 Å²	83	110.3 Å²	110.3	51%	0.509	60%	0.601	S	S	.	*	H	α-helix	trans	-68.8	-38.1	179.8	-43.7	0	0	0	0	111.6	Q5 Q7 G12 E13	Q5-T9 PolarHBondContact O-N 3.33Å; Q5-T9 PolarHBondContact O-OG1 3.21Å; Q7-T9 PolarHBondContact O-N 3.25Å; T9-G12 PolarHBondContact O-N 3.37Å; T9-E13 WeakPolarHBondContact O-CG 3.34Å; T9-E13 PolarHBondContact O-N 3.25Å; T9-E13 VanDerWaalsContact O-N 3.15Å
10	T	48.4	Very low	49.9	Very low	80 Å²	80	109.2 Å²	109.2	49%	0.491	59%	0.594	S	S	.	*	H	α-helix	trans	-74	-33.8	179.5	-41.3	0	0	0	0	111.8	Q6 Q7 M14	Q6-T10 PolarHBondContact O-N 2.66Å; Q6-T10 PolarHBondContact O-OG1 3.2Å; Q7-T10 PolarHBondContact O-N 2.58Å; T10-M14 WeakPolarHBondContact O-CG 3.34Å; T10-M14 PolarHBondContact O-N 2.99Å
11	Q	47.3	Very low	50.6	Low	128 Å²	128	107.3 Å²	107.3	60%	0.598	59%	0.588	S	S	*	*	H	α-helix	trans	-67.3	-43.2	171.9	-105	175.7	-25.7	0	0	112.2	Q7 E13 M14 E15	Q7-Q11 PolarHBondContact O-N 2.92Å; Q11-E13 PolarHBondContact O-N 2.95Å; Q11-M14 PolarHBondContact O-N 3.38Å; Q11-E15 WeakPolarHBondContact O-CB 3.4Å; Q11-E15 WeakPolarHBondContact O-CG 3.49Å; Q11-E15 PolarHBondContact O-N 3.38Å
12	G	47.5	Very low	51.5	Low	37 Å²	37	104.1 Å²	104.1	38%	0.381	57%	0.574	S	S	.	*	H	α-helix	trans	-65.4	-33.5	178.2	0	0	0	0	0	114	E8 T9 A16	E8-G12 PolarHBondContact O-N 2.95Å; T9-G12 PolarHBondContact O-N 3.37Å; G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3.15Å
13	E	49.2	Very low	52.9	Low	138 Å²	138	103 Å²	103	65%	0.645	57%	0.565	S	S	*	*	H	α-helix	trans	-74.2	-36.1	175.7	-73.3	179.5	168.9	0	0	112.8	T9 Q11 G17	T9-E13 WeakPolarHBondContact O-CG 3.34Å; T9-E13 PolarHBondContact O-N 3.25Å; T9-E13 VanDerWaalsContact O-N 3.15Å; Q11-E13 PolarHBondContact O-N 2.95Å; E13-G17 PolarHBondContact O-N 2.66Å
14	M	49.2	Very low	54.7	Low	148 Å²	148	101.9 Å²	101.9	73%	0.729	56%	0.555	S	S	*	*	H	α-helix	trans	-69.8	-38.9	173	-71.5	-176.3	79.4	0	0	112.1	T10 Q11 G18	T10-M14 WeakPolarHBondContact O-CG 3.34Å; T10-M14 PolarHBondContact O-N 2.99Å; Q11-M14 PolarHBondContact O-N 3.38Å; M14-G18 PolarHBondContact O-N 3.13Å; M14-G18 VanDerWaalsContact O-N 3.1Å
15	E	49.9	Very low	56.4	Low	134 Å²	134	99.6 Å²	99.6	63%	0.626	55%	0.547	S	S	*	.	H	α-helix	trans	-68.2	-42	174.2	-75.8	-176.9	167.5	0	0	111.8	Q11 G17 G18 V19	Q11-E15 WeakPolarHBondContact O-CB 3.4Å; Q11-E15 WeakPolarHBondContact O-CG 3.49Å; Q11-E15 PolarHBondContact O-N 3.38Å; E15-G17 PolarHBondContact O-N 3.19Å; E15-G18 PolarHBondContact O-N 3.27Å; E15-V19 WeakPolarHBondContact O-CB 3.16Å; E15-V19 WeakPolarHBondContact O-CG2 3.3Å; E15-V19 PolarHBondContact O-N 2.84Å
16	A	51.2	Low	58.3	Low	62 Å²	62	99.7 Å²	99.7	51%	0.512	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-37.1	176.6	0	0	0	0	0	112.9	G12 N20	G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3.15Å; A16-N20 WeakPolarHBondContact O-CB 3.4Å; A16-N20 PolarHBondContact O-N 3.13Å; A16-N20 VanDerWaalsContact O-N 3.17Å
17	G	50.9	Low	60.4	Low	46 Å²	46	95.5 Å²	95.5	47%	0.474	54%	0.537	S	S	.	.	H	α-helix	trans	-65.7	-39.4	173.1	0	0	0	0	0	113.2	E13 E15 C21	E13-G17 PolarHBondContact O-N 2.66Å; E15-G17 PolarHBondContact O-N 3.19Å; G17-C21 PolarHBondContact O-N 3.07Å
18	G	51.9	Low	62.4	Low	34 Å²	34	92.8 Å²	92.8	35%	0.351	53%	0.526	S	S	.	.	H	α-helix	trans	-69.5	-41.4	176.2	0	0	0	0	0	113.7	M14 E15 N20 C21 L22	M14-G18 PolarHBondContact O-N 3.13Å; M14-G18 VanDerWaalsContact O-N 3.1Å; E15-G18 PolarHBondContact O-N 3.27Å; G18-N20 VanDerWaalsContact C-N 3.34Å; G18-N20 PolarHBondContact O-N 2.67Å; G18-C21 PolarHBondContact O-N 3.02Å; G18-L22 WeakPolarHBondContact O-CG 3.31Å; G18-L22 PolarHBondContact O-N 2.82Å; G18-L22 VanDerWaalsContact O-N 3.12Å
19	V	55.3	Low	64.2	Low	100 Å²	100	91.3 Å²	91.3	61%	0.606	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-37.3	177.3	173.1	0	0	0	0	111.5	E15 A23	E15-V19 WeakPolarHBondContact O-CB 3.16Å; E15-V19 WeakPolarHBondContact O-CG2 3.3Å; E15-V19 PolarHBondContact O-N 2.84Å; V19-A23 PolarHBondContact O-N 3.25Å; V19-A23 VanDerWaalsContact O-N 3.15Å
20	N	61.4	Low	66.1	Low	88 Å²	88	89 Å²	89	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-41.8	176.5	-157.3	19.1	0	0	0	111.2	A16 G18 A23 Y24	A16-N20 WeakPolarHBondContact O-CB 3.4Å; A16-N20 PolarHBondContact O-N 3.13Å; A16-N20 VanDerWaalsContact O-N 3.17Å; G18-N20 VanDerWaalsContact C-N 3.34Å; G18-N20 PolarHBondContact O-N 2.67Å; N20-A23 PolarHBondContact O-N 3.09Å; N20-Y24 WeakPolarHBondContact O-CD2 3.22Å; N20-Y24 PolarHBondContact O-N 2.86Å; N20-Y24 VanDerWaalsContact O-N 3.09Å; N20-Y24 WeakPolarHBondContact OD1-CE2 3.35Å
21	C	64.1	Low	68.1	Low	70 Å²	70	90.3 Å²	90.3	47%	0.473	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-46	176.5	-166.3	0	0	0	0	112.5	G17 G18 A23 Y24 D25	G17-C21 PolarHBondContact O-N 3.07Å; G18-C21 PolarHBondContact O-N 3.02Å; C21-A23 VanDerWaalsContact C-N 3.34Å; C21-A23 PolarHBondContact O-N 3.32Å; C21-Y24 PolarHBondContact O-N 3.36Å; C21-D25 PolarHBondContact O-N 2.93Å
22	L	70.5	Confident	69.9	Low	120 Å²	120	89.4 Å²	89.4	63%	0.628	51%	0.506	S	S	*	.	H	α-helix	trans	-64.3	-37.6	178.9	-68	171.9	0	0	0	112.5	G18 D25 E26	G18-L22 WeakPolarHBondContact O-CG 3.31Å; G18-L22 PolarHBondContact O-N 2.82Å; G18-L22 VanDerWaalsContact O-N 3.12Å; L22-D25 PolarHBondContact O-N 3.44Å; L22-E26 PolarHBondContact O-N 3.07Å
23	A	80.8	Confident	71.9	Confident	53 Å²	53	92.3 Å²	92.3	44%	0.438	51%	0.513	S	S	.	.	H	α-helix	trans	-67.6	-35	176	0	0	0	0	0	112.4	V19 N20 C21 A27	V19-A23 PolarHBondContact O-N 3.25Å; V19-A23 VanDerWaalsContact O-N 3.15Å; N20-A23 PolarHBondContact O-N 3.09Å; C21-A23 VanDerWaalsContact C-N 3.34Å; C21-A23 PolarHBondContact O-N 3.32Å; A23-A27 WeakPolarHBondContact O-CB 3.42Å; A23-A27 PolarHBondContact O-N 3.14Å
24	Y	84.4	Confident	73.9	Confident	142 Å²	142	92.2 Å²	92.2	56%	0.557	51%	0.506	S	S	*	.	H	α-helix	trans	-67.7	-43.3	172.4	-78	-66.8	0	0	0	111.8	N20 C21 E26 A27 I28	N20-Y24 WeakPolarHBondContact O-CD2 3.22Å; N20-Y24 PolarHBondContact O-N 2.86Å; N20-Y24 VanDerWaalsContact O-N 3.09Å; N20-Y24 WeakPolarHBondContact OD1-CE2 3.35Å; C21-Y24 PolarHBondContact O-N 3.36Å; Y24-E26 VanDerWaalsContact C-N 3.33Å; Y24-E26 PolarHBondContact O-N 3.38Å; Y24-A27 PolarHBondContact O-N 3.29Å; Y24-I28 VanDerWaalsContact O-CG1 3.27Å; Y24-I28 WeakPolarHBondContact O-CG1 3.47Å; Y24-I28 PolarHBondContact O-N 3.08Å
25	D	83.9	Confident	75.8	Confident	76 Å²	76	89 Å²	89	41%	0.406	49%	0.492	S	S	.	.	H	α-helix	trans	-60.8	-43.5	177.4	-70.2	-23.2	0	0	0	111.3	C21 L22 A27 I28 M29	C21-D25 PolarHBondContact O-N 2.93Å; L22-D25 PolarHBondContact O-N 3.44Å; D25-A27 PolarHBondContact O-N 3.33Å; D25-I28 PolarHBondContact O-N 3.29Å; D25-M29 WeakPolarHBondContact O-CG 3.3Å; D25-M29 PolarHBondContact O-N 3.32Å
26	E	87.8	Confident	77.6	Confident	134 Å²	134	86.3 Å²	86.3	63%	0.626	48%	0.479	S	S	*	.	H	α-helix	trans	-62.1	-41.9	175	-171	176.7	-173.9	0	0	111.9	L22 Y24 I28 M29 A30	L22-E26 PolarHBondContact O-N 3.07Å; Y24-E26 VanDerWaalsContact C-N 3.33Å; Y24-E26 PolarHBondContact O-N 3.38Å; E26-I28 PolarHBondContact O-N 3.23Å; E26-M29 PolarHBondContact O-N 3.21Å; E26-A30 VanDerWaalsContact O-CB 3.31Å; E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 3.05Å
27	A	89.2	Confident	79.4	Confident	54 Å²	54	90 Å²	90	45%	0.446	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-38.3	176.8	0	0	0	0	0	112.7	A23 Y24 D25 Q31	A23-A27 WeakPolarHBondContact O-CB 3.42Å; A23-A27 PolarHBondContact O-N 3.14Å; Y24-A27 PolarHBondContact O-N 3.29Å; D25-A27 PolarHBondContact O-N 3.33Å; A27-Q31 WeakPolarHBondContact O-CB 3.45Å; A27-Q31 PolarHBondContact O-N 2.75Å
28	I	88.1	Confident	81.3	Confident	83 Å²	83	94.4 Å²	94.4	43%	0.426	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-48.3	176.2	-69.4	164.7	0	0	0	110.1	Y24 D25 E26 A30 Q31 Q32	Y24-I28 VanDerWaalsContact O-CG1 3.27Å; Y24-I28 WeakPolarHBondContact O-CG1 3.47Å; Y24-I28 PolarHBondContact O-N 3.08Å; D25-I28 PolarHBondContact O-N 3.29Å; E26-I28 PolarHBondContact O-N 3.23Å; I28-A30 PolarHBondContact O-N 3.02Å; I28-Q31 WeakPolarHBondContact O-CB 3.44Å; I28-Q31 PolarHBondContact O-N 2.92Å; I28-Q31 VanDerWaalsContact O-N 3.15Å; I28-Q32 WeakPolarHBondContact O-CG 3.49Å; I28-Q32 PolarHBondContact O-N 3.37Å
29	M	86.9	Confident	83.1	Confident	107 Å²	107	94.8 Å²	94.8	53%	0.527	49%	0.487	S	S	.	.	H	α-helix	trans	-58.6	-47.7	176.5	-72.2	-169.8	-67.2	0	0	110.9	D25 E26 Q31 Q32 D33	D25-M29 WeakPolarHBondContact O-CG 3.3Å; D25-M29 PolarHBondContact O-N 3.32Å; E26-M29 PolarHBondContact O-N 3.21Å; M29-Q31 VanDerWaalsContact C-N 3.26Å; M29-Q31 PolarHBondContact O-N 3.04Å; M29-Q32 PolarHBondContact O-N 3.39Å; M29-Q32 VanDerWaalsContact O-N 3.12Å; M29-D33 PolarHBondContact O-N 3.29Å
30	A	89.5	Confident	84.7	Confident	35 Å²	35	91.7 Å²	91.7	29%	0.289	47%	0.472	S	S	.	.	H	α-helix	trans	-62.5	-32.9	178	0	0	0	0	0	112.8	E26 I28 R34	E26-A30 VanDerWaalsContact O-CB 3.31Å; E26-A30 WeakPolarHBondContact O-CB 3.31Å; E26-A30 PolarHBondContact O-N 3.05Å; I28-A30 PolarHBondContact O-N 3.02Å; A30-R34 WeakPolarHBondContact O-CG 3.33Å; A30-R34 VanDerWaalsContact O-CZ 3.32Å; A30-R34 PolarHBondContact O-N 3.42Å; A30-R34 PolarHBondContact O-NH1 3.44Å; A30-R34 VanDerWaalsContact O-NH1 3.1Å
31	Q	90.2	Very high	86	Confident	108 Å²	108	93.1 Å²	93.1	51%	0.505	48%	0.484	S	S	.	.	H	α-helix	trans	-69.2	-44.3	173.6	-177.8	178.4	-3.1	0	0	111.8	A27 I28 M29 D33 R34 I35	A27-Q31 WeakPolarHBondContact O-CB 3.45Å; A27-Q31 PolarHBondContact O-N 2.75Å; I28-Q31 WeakPolarHBondContact O-CB 3.44Å; I28-Q31 PolarHBondContact O-N 2.92Å; I28-Q31 VanDerWaalsContact O-N 3.15Å; M29-Q31 VanDerWaalsContact C-N 3.26Å; M29-Q31 PolarHBondContact O-N 3.04Å; Q31-D33 VanDerWaalsContact C-N 3.34Å; Q31-R34 PolarHBondContact O-N 3.4Å; Q31-I35 HydrophobicContact CG-CD1 4.1Å; Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.33Å; Q31-I35 VanDerWaalsContact O-N 3.1Å
32	Q	87	Confident	87.2	Confident	108 Å²	108	94.5 Å²	94.5	51%	0.505	50%	0.495	S	S	.	.	H	α-helix	trans	-60.9	-43.9	176.9	-72.5	177.5	-21.9	0	0	111.3	I28 M29 R34 I35 Q36	I28-Q32 WeakPolarHBondContact O-CG 3.49Å; I28-Q32 PolarHBondContact O-N 3.37Å; M29-Q32 PolarHBondContact O-N 3.39Å; M29-Q32 VanDerWaalsContact O-N 3.12Å; Q32-R34 PolarHBondContact O-N 2.99Å; Q32-I35 PolarHBondContact O-N 2.99Å; Q32-Q36 WeakPolarHBondContact O-CG 3.35Å; Q32-Q36 PolarHBondContact O-N 3.25Å
33	D	88.4	Confident	88.3	Confident	98 Å²	98	91.5 Å²	91.5	52%	0.524	48%	0.479	S	S	.	.	H	α-helix	trans	-60.6	-43.6	177.4	-70.7	-15.6	0	0	0	111.9	M29 Q31 I35 Q36 Q37	M29-D33 PolarHBondContact O-N 3.29Å; Q31-D33 VanDerWaalsContact C-N 3.34Å; D33-I35 PolarHBondContact O-N 2.98Å; D33-Q36 PolarHBondContact O-N 2.89Å; D33-Q37 VanDerWaalsContact O-CB 3.29Å; D33-Q37 WeakPolarHBondContact O-CB 3.45Å; D33-Q37 PolarHBondContact O-N 2.82Å
34	R	91.3	Very high	89.1	Confident	136 Å²	136	91.7 Å²	91.7	51%	0.513	48%	0.476	S	S	.	.	H	α-helix	trans	-60.2	-46.3	176	-75.9	-172.9	-60	-88.7	4.7	111.8	A30 Q31 Q32 Q37 E38	A30-R34 WeakPolarHBondContact O-CG 3.33Å; A30-R34 VanDerWaalsContact O-CZ 3.32Å; A30-R34 PolarHBondContact O-N 3.42Å; A30-R34 PolarHBondContact O-NH1 3.44Å; A30-R34 VanDerWaalsContact O-NH1 3.1Å; Q31-R34 PolarHBondContact O-N 3.4Å; Q32-R34 PolarHBondContact O-N 2.99Å; R34-Q37 PolarHBondContact O-N 2.86Å; R34-E38 WeakPolarHBondContact O-CG 3.32Å; R34-E38 PolarHBondContact O-N 3.28Å
35	I	88.7	Confident	89.7	Confident	82 Å²	82	85.1 Å²	85.1	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-61.6	-46.7	178.1	-67.1	166.5	0	0	0	110.3	Q31 Q32 D33 Q37 E38 I39	Q31-I35 HydrophobicContact CG-CD1 4.1Å; Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.33Å; Q31-I35 VanDerWaalsContact O-N 3.1Å; Q32-I35 PolarHBondContact O-N 2.99Å; D33-I35 PolarHBondContact O-N 2.98Å; I35-Q37 VanDerWaalsContact C-N 3.31Å; I35-Q37 PolarHBondContact O-N 2.91Å; I35-E38 PolarHBondContact O-N 3.5Å; I35-I39 HydrophobicContact CG2-CD1 3.9Å; I35-I39 VanDerWaalsContact O-CG1 3.32Å; I35-I39 WeakPolarHBondContact O-CG1 3.41Å; I35-I39 PolarHBondContact O-N 2.99Å
36	Q	88.3	Confident	90.4	Very high	77 Å²	77	81.5 Å²	81.5	36%	0.36	43%	0.431	S	S	.	.	H	α-helix	trans	-63.3	-37.7	178.7	-73.3	-177.6	5.7	0	0	112.1	Q32 D33 I39 A40	Q32-Q36 WeakPolarHBondContact O-CG 3.35Å; Q32-Q36 PolarHBondContact O-N 3.25Å; D33-Q36 PolarHBondContact O-N 2.89Å; Q36-I39 PolarHBondContact O-N 3.41Å; Q36-A40 WeakPolarHBondContact O-CB 3.44Å; Q36-A40 PolarHBondContact O-N 2.78Å
37	Q	88.4	Confident	90.9	Very high	138 Å²	138	75.4 Å²	75.4	65%	0.645	40%	0.403	S	S	*	.	H	α-helix	trans	-68.4	-40.9	178.1	-169.6	173.9	18.2	0	0	112.5	D33 R34 I35 A40 T41	D33-Q37 VanDerWaalsContact O-CB 3.29Å; D33-Q37 WeakPolarHBondContact O-CB 3.45Å; D33-Q37 PolarHBondContact O-N 2.82Å; R34-Q37 PolarHBondContact O-N 2.86Å; I35-Q37 VanDerWaalsContact C-N 3.31Å; I35-Q37 PolarHBondContact O-N 2.91Å; Q37-A40 PolarHBondContact O-N 3.45Å; Q37-T41 PolarHBondContact O-N 3.5Å; Q37-T41 PolarHBondContact O-OG1 3.3Å
38	E	91.3	Very high	91.3	Very high	139 Å²	139	77.2 Å²	77.2	65%	0.65	41%	0.405	S	S	*	.	H	α-helix	trans	-61.2	-45	174.1	-75.1	177.8	-173.1	0	0	111.5	R34 I35 T41 S42	R34-E38 WeakPolarHBondContact O-CG 3.32Å; R34-E38 PolarHBondContact O-N 3.28Å; I35-E38 PolarHBondContact O-N 3.5Å; E38-T41 PolarHBondContact O-N 3.48Å; E38-S42 PolarHBondContact O-N 3Å; E38-S42 PolarHBondContact O-OG 2.94Å
39	I	88.9	Confident	91.8	Very high	42 Å²	42	79.6 Å²	79.6	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-61.3	-47.1	174.1	-69.1	168.8	0	0	0	110.3	I35 Q36 T41 S42 I43 R84 P85	I35-I39 HydrophobicContact CG2-CD1 3.9Å; I35-I39 VanDerWaalsContact O-CG1 3.32Å; I35-I39 WeakPolarHBondContact O-CG1 3.41Å; I35-I39 PolarHBondContact O-N 2.99Å; Q36-I39 PolarHBondContact O-N 3.41Å; I39-T41 VanDerWaalsContact C-N 3.26Å; I39-T41 PolarHBondContact O-N 3.47Å; I39-S42 PolarHBondContact O-N 2.94Å; I39-S42 VanDerWaalsContact O-N 3.08Å; I39-I43 HydrophobicContact CG2-CD1 4.42Å; I39-I43 PolarHBondContact O-N 3Å; I39-R84 HydrophobicContact CG2-CG 3.65Å; I39-P85 HydrophobicContact CG2-CG 3.86Å
40	A	89.3	Confident	92.3	Very high	35 Å²	35	77.6 Å²	77.6	29%	0.289	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-30.8	-176.4	0	0	0	0	0	113.4	Q36 Q37 S42 R84	Q36-A40 WeakPolarHBondContact O-CB 3.44Å; Q36-A40 PolarHBondContact O-N 2.78Å; Q37-A40 PolarHBondContact O-N 3.45Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-R84 VanDerWaalsContact CB-CZ 3.49Å; A40-R84 PolarHBondContact O-NH2 3.46Å
41	T	89.4	Confident	92.7	Very high	119 Å²	119	80.5 Å²	80.5	73%	0.73	41%	0.406	S	S	*	.	H	α-helix	trans	-69.4	-30.5	175.8	-55	0	0	0	0	111.9	Q37 E38 I39	Q37-T41 PolarHBondContact O-N 3.5Å; Q37-T41 PolarHBondContact O-OG1 3.3Å; E38-T41 PolarHBondContact O-N 3.48Å; I39-T41 VanDerWaalsContact C-N 3.26Å; I39-T41 PolarHBondContact O-N 3.47Å
42	S	89.7	Confident	93	Very high	99 Å²	99	75.3 Å²	75.3	69%	0.692	38%	0.382	S	S	*	.	H	α-helix	trans	-99.4	-31.1	-174	-54.8	0	0	0	0	113.4	E38 I39 A40	E38-S42 PolarHBondContact O-N 3Å; E38-S42 PolarHBondContact O-OG 2.94Å; I39-S42 PolarHBondContact O-N 2.94Å; I39-S42 VanDerWaalsContact O-N 3.08Å; A40-S42 VanDerWaalsContact C-N 3.3Å
43	I	92.9	Very high	93.3	Very high	57 Å²	57	72.3 Å²	72.3	29%	0.292	37%	0.372	S	S	.	.	S	Bend	trans	-125.9	118	-170.6	-53.5	178.2	0	0	0	109.2	I39 R84 P85	I39-I43 HydrophobicContact CG2-CD1 4.42Å; I39-I43 PolarHBondContact O-N 3Å; I43-R84 HydrophobicContact CG2-CB 4.46Å; I43-R84 PolarHBondContact O-NE 2.85Å; I43-R84 PolarHBondContact O-NH2 2.96Å; I43-P85 HydrophobicContact CD1-CG 4.19Å
44	P	96.8	Very high	93.7	Very high	57 Å²	57	68.4 Å²	68.4	37%	0.37	35%	0.352	S	S	.	.			trans	-65.9	159.3	174.3	30.8	-35.9	0	0	0	110.5	V46	P44-V46 VanDerWaalsContact C-N 3.26Å; P44-V46 PolarHBondContact O-N 2.99Å
45	L	98.1	Very high	93.8	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	33%	0.327	C	S	.	.	S	Bend	trans	-53.2	-45.9	176.3	-70.2	170.4	0	0	0	112.3	T83 R84 R92 Q163	L45-T83 WeakPolarHBondContact O-CA 3.44Å; L45-R84 PolarHBondContact O-N 2.97Å; L45-R84 VanDerWaalsContact O-N 3.09Å; L45-R92 WeakPolarHBondContact O-CD 3.28Å; L45-Q163 HydrophobicContact CD1-CB 4.4Å
46	V	98.4	Very high	93.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.7	174.8	-178.2	0	0	0	0	108.1	P44 R81 R92 F96 L157 F160 R161	P44-V46 VanDerWaalsContact C-N 3.26Å; P44-V46 PolarHBondContact O-N 2.99Å; V46-R81 VanDerWaalsContact CG1-CD 3.41Å; V46-R81 HydrophobicContact CG1-CG 3.89Å; V46-R92 HydrophobicContact CG2-CG 3.97Å; V46-F96 HydrophobicContact CG1-CD1 4.18Å; V46-F96 HydrophobicContact CG1-CD2 4.38Å; V46-F96 HydrophobicContact CG1-CE1 4.49Å; V46-F96 HydrophobicContact CG1-CG 4.12Å; V46-L157 HydrophobicContact CB-CD1 3.98Å; V46-L157 HydrophobicContact CG1-CD1 3.61Å; V46-F160 HydrophobicContact CG2-CB 4.09Å; V46-F160 HydrophobicContact CG2-CD1 4.41Å; V46-R161 PolarHBondContact O-NE 3.29Å; V46-R161 PolarHBondContact O-NH2 3.23Å; V46-R161 VanDerWaalsContact O-NH2 3.14Å
47	S	98	Very high	94.1	Very high	7 Å²	7	67 Å²	67	5%	0.049	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	173	-178.7	80.4	0	0	0	0	112.4	Q50 R81 K82 R161	S47-Q50 PolarHBondContact OG-NE2 3.3Å; S47-R81 WeakPolarHBondContact O-CD 3.34Å; S47-R81 VanDerWaalsContact O-CG 3.24Å; S47-R81 WeakPolarHBondContact O-CG 3.16Å; S47-R81 PolarHBondContact O-NH1 3.38Å; S47-K82 PolarHBondContact N-O 3.16Å; S47-K82 PolarHBondContact OG-N 2.81Å; S47-K82 PolarHBondContact OG-O 2.74Å; S47-R161 PolarHBondContact O-NH2 3.16Å
48	D	97.7	Very high	94.3	Very high	92 Å²	92	64.2 Å²	64.2	49%	0.492	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	163.4	162.4	-64.4	-41.9	0	0	0	109.7	Q50 R161	D48-Q50 PolarHBondContact O-N 3.37Å; D48-R161 VanDerWaalsContact CG-NH2 3.29Å; D48-R161 IonicContact OD1-CZ 2.82Å; D48-R161 IonicContact OD1-NH1 2.96Å; D48-R161 PolarHBondContact OD1-NH1 2.87Å; D48-R161 VanDerWaalsContact OD1-NH1 3.16Å; D48-R161 IonicContact OD1-NH2 3.55Å; D48-R161 PolarHBondContact OD1-NH2 3.18Å; D48-R161 IonicContact OD2-NH2 3.29Å
49	R	97.9	Very high	94.3	Very high	132 Å²	132	59.7 Å²	59.7	50%	0.498	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128	172.6	-174	173	66.4	-169.8	1.2	108.9	Y79 Y268	R49-Y79 HydrophobicContact CG-CD1 3.97Å; R49-Y79 HydrophobicContact CG-CG 3.91Å; R49-Y268 HydrophobicContact CG-CD2 4.27Å; R49-Y268 HydrophobicContact CG-CE2 4.31Å
50	Q	97.6	Very high	94.5	Very high	65 Å²	65	60.7 Å²	60.7	30%	0.304	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	148.8	-175.6	-62.8	172.5	31	0	0	110	S47 D48 L52 V54 Y79 I80	S47-Q50 PolarHBondContact OG-NE2 3.3Å; D48-Q50 PolarHBondContact O-N 3.37Å; Q50-L52 PolarHBondContact O-N 2.83Å; Q50-V54 HydrophobicContact CB-CG1 4.05Å; Q50-V54 HydrophobicContact CB-CG2 4.3Å; Q50-Y79 CarbonylContact O-C 3.53Å; Q50-Y79 VanDerWaalsContact O-CA 3.23Å; Q50-Y79 WeakPolarHBondContact O-CA 3.46Å; Q50-Y79 VanDerWaalsContact O-CB 3.31Å; Q50-Y79 WeakPolarHBondContact O-CB 3.49Å; Q50-Y79 WeakPolarHBondContact O-CD1 3.47Å; Q50-I80 HydrophobicContact CB-CG2 4.32Å; Q50-I80 PolarHBondContact N-O 2.86Å; Q50-I80 PolarHBondContact O-N 3.09Å
51	E	97.9	Very high	94.5	Very high	96 Å²	96	65.2 Å²	65.2	45%	0.449	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	135.3	168.2	-71.9	-71.5	161.4	0	0	109.7	S53 V54 Y79	E51-S53 PolarHBondContact O-N 2.98Å; E51-V54 WeakPolarHBondContact O-CG1 3.39Å; E51-V54 WeakPolarHBondContact O-CG2 3.38Å; E51-V54 PolarHBondContact O-N 2.93Å; E51-V54 VanDerWaalsContact O-N 3.09Å; E51-Y79 VanDerWaalsContact CD-CE1 3.47Å; E51-Y79 HydrophobicContact CG-CE1 4.16Å; E51-Y79 WeakPolarHBondContact OE1-CE1 3.26Å; E51-Y79 PolarHBondContact OE1-OH 2.98Å; E51-Y79 VanDerWaalsContact OE1-OH 3.05Å
52	L	96.6	Very high	94.7	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.2	-176.8	-174	69.4	0	0	0	113.1	Q50 V54 L55 L73 Y77 S78 I80 L267	Q50-L52 PolarHBondContact O-N 2.83Å; L52-V54 PolarHBondContact O-N 3.13Å; L52-L55 HydrophobicContact CD1-CD1 3.51Å; L52-L55 HydrophobicContact CD1-CG 4.19Å; L52-L55 HydrophobicContact CG-CD1 4.28Å; L52-L55 WeakPolarHBondContact O-CB 3.3Å; L52-L55 PolarHBondContact O-N 3.12Å; L52-L73 HydrophobicContact CD1-CD2 4.02Å; L52-L73 HydrophobicContact CD2-CB 4.19Å; L52-L73 HydrophobicContact CD2-CD2 4.06Å; L52-L73 HydrophobicContact CD2-CG 3.9Å; L52-Y77 WeakPolarHBondContact CD2-O 3.34Å; L52-S78 WeakPolarHBondContact CB-O 3.31Å; L52-S78 PolarHBondContact N-O 3.23Å; L52-I80 HydrophobicContact CD1-CB 3.8Å; L52-I80 HydrophobicContact CD1-CD1 4.37Å; L52-I80 HydrophobicContact CD1-CG2 4.19Å; L52-L267 HydrophobicContact CD1-CD2 3.88Å
53	S	94.5	Very high	94.8	Very high	44 Å²	44	64.8 Å²	64.8	31%	0.308	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-16.8	176.6	62.9	0	0	0	0	113.9	E51 L55 Q56 H74	E51-S53 PolarHBondContact O-N 2.98Å; S53-L55 PolarHBondContact O-N 3.39Å; S53-Q56 PolarHBondContact O-N 3.3Å; S53-H74 PolarHBondContact N-CE1 2.96Å; S53-H74 VanDerWaalsContact N-CE1 3.29Å
54	V	95.4	Very high	94.7	Very high	16 Å²	16	66.4 Å²	66.4	10%	0.097	34%	0.336	C	S	.	.	H	α-helix	trans	-55.9	-36.2	169.5	-62.6	0	0	0	0	111.8	Q50 E51 L52 Q56 R57 E58 I80	Q50-V54 HydrophobicContact CB-CG1 4.05Å; Q50-V54 HydrophobicContact CB-CG2 4.3Å; E51-V54 WeakPolarHBondContact O-CG1 3.39Å; E51-V54 WeakPolarHBondContact O-CG2 3.38Å; E51-V54 PolarHBondContact O-N 2.93Å; E51-V54 VanDerWaalsContact O-N 3.09Å; L52-V54 PolarHBondContact O-N 3.13Å; V54-Q56 VanDerWaalsContact C-N 3.33Å; V54-Q56 PolarHBondContact O-N 2.96Å; V54-R57 PolarHBondContact O-N 3.41Å; V54-E58 PolarHBondContact O-N 3.42Å; V54-I80 HydrophobicContact CG2-CG2 3.52Å
55	L	94	Very high	94.4	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.8	-37.8	178.6	-69.6	-177.9	0	0	0	112.2	L52 S53 R57 E58 Y59 I70 L73 I80 L258	L52-L55 HydrophobicContact CD1-CD1 3.51Å; L52-L55 HydrophobicContact CD1-CG 4.19Å; L52-L55 HydrophobicContact CG-CD1 4.28Å; L52-L55 WeakPolarHBondContact O-CB 3.3Å; L52-L55 PolarHBondContact O-N 3.12Å; S53-L55 PolarHBondContact O-N 3.39Å; L55-R57 PolarHBondContact O-N 3.11Å; L55-R57 VanDerWaalsContact O-N 3.13Å; L55-E58 WeakPolarHBondContact O-CB 3.49Å; L55-E58 PolarHBondContact O-N 2.92Å; L55-Y59 WeakPolarHBondContact O-CD2 3.33Å; L55-I70 HydrophobicContact CB-CD1 4.22Å; L55-I70 HydrophobicContact CB-CG1 4.3Å; L55-I70 HydrophobicContact CB-CG2 4.2Å; L55-L73 HydrophobicContact CD1-CD2 4.06Å; L55-I80 HydrophobicContact CD1-CD1 3.94Å; L55-I80 HydrophobicContact CD2-CD1 3.78Å; L55-I80 HydrophobicContact CG-CD1 3.95Å; L55-L258 HydrophobicContact CD1-CD2 3.7Å; L55-L258 HydrophobicContact CD2-CD2 4.5Å
56	Q	91.8	Very high	94.2	Very high	72 Å²	72	67.7 Å²	67.7	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-59	-31.1	179.9	-66.4	-179.3	-1.2	0	0	112.3	S53 V54 Q67 I70 H74	S53-Q56 PolarHBondContact O-N 3.3Å; V54-Q56 VanDerWaalsContact C-N 3.33Å; V54-Q56 PolarHBondContact O-N 2.96Å; Q56-Q67 PolarHBondContact O-NE2 3.12Å; Q56-I70 HydrophobicContact CG-CB 4.47Å; Q56-I70 HydrophobicContact CG-CG2 3.43Å; Q56-I70 VanDerWaalsContact CG-CG2 3.43Å; Q56-H74 PolarHBondContact NE2-CD2 3.44Å; Q56-H74 VanDerWaalsContact NE2-CD2 3.33Å; Q56-H74 PolarHBondContact NE2-NE2 3.2Å
57	R	91.7	Very high	93.9	Very high	195 Å²	195	69 Å²	69	74%	0.736	34%	0.344	S	S	*	.	H	α-helix	trans	-80.8	-18.7	179	-66.2	-177.7	-79.4	166.6	-7.3	113.2	V54 L55	V54-R57 PolarHBondContact O-N 3.41Å; L55-R57 PolarHBondContact O-N 3.11Å; L55-R57 VanDerWaalsContact O-N 3.13Å
58	E	92.8	Very high	93.8	Very high	79 Å²	79	73 Å²	73	37%	0.369	36%	0.364	S	S	.	.	H	α-helix	trans	-79.5	-22	178.6	-68.8	177.7	-153.2	0	0	112.6	V54 L55 K82 R260	V54-E58 PolarHBondContact O-N 3.42Å; L55-E58 WeakPolarHBondContact O-CB 3.49Å; L55-E58 PolarHBondContact O-N 2.92Å; E58-K82 IonicContact OE1-NZ 2.93Å; E58-K82 PolarHBondContact OE1-NZ 3.3Å; E58-K82 IonicContact OE2-NZ 3.12Å; E58-K82 PolarHBondContact OE2-NZ 2.78Å; E58-R260 IonicContact OE2-CZ 3.76Å; E58-R260 IonicContact OE2-NH1 3.4Å; E58-R260 PolarHBondContact OE2-NH1 3.48Å; E58-R260 IonicContact OE2-NH2 2.78Å
59	Y	92.3	Very high	93.6	Very high	43 Å²	43	68.6 Å²	68.6	17%	0.169	34%	0.341	C	S	.	.	S	Bend	trans	-108.1	142.8	-179.5	-67.9	-94.9	0	0	0	111	L55 Y66 Q67 I70 M234 R260	L55-Y59 WeakPolarHBondContact O-CD2 3.33Å; Y59-Y66 VanDerWaalsContact CD1-CB 3.49Å; Y59-Y66 AromaticContact CD1-CD1 3.97Å; Y59-Y66 HydrophobicContact CD1-CD1 3.97Å; Y59-Y66 AromaticContact CD1-CD2 3.69Å; Y59-Y66 HydrophobicContact CD1-CD2 3.69Å; Y59-Y66 HydrophobicContact CD1-CE2 4.37Å; Y59-Y66 AromaticContact CD1-CG 3.44Å; Y59-Y66 HydrophobicContact CD1-CG 3.44Å; Y59-Y66 VanDerWaalsContact CD1-CG 3.44Å; Y59-Y66 AromaticContact CE1-CD1 3.46Å; Y59-Y66 HydrophobicContact CE1-CD1 3.46Å; Y59-Y66 VanDerWaalsContact CE1-CD1 3.46Å; Y59-Y66 AromaticContact CE1-CD2 3.66Å; Y59-Y66 HydrophobicContact CE1-CD2 3.66Å; Y59-Y66 AromaticContact CE1-CE1 3.76Å; Y59-Y66 HydrophobicContact CE1-CE1 3.76Å; Y59-Y66 AromaticContact CE1-CE2 3.94Å; Y59-Y66 HydrophobicContact CE1-CE2 3.94Å; Y59-Y66 AromaticContact CE1-CG 3.41Å; Y59-Y66 HydrophobicContact CE1-CG 3.41Å; Y59-Y66 VanDerWaalsContact CE1-CG 3.41Å; Y59-Y66 AromaticContact CE1-CZ 3.99Å; Y59-Y66 HydrophobicContact CG-CG 4.3Å; Y59-Y66 AromaticContact CZ-CD1 3.9Å; Y59-Q67 PolarHBondContact O-NE2 3.42Å; Y59-Q67 VanDerWaalsContact O-NE2 3.14Å; Y59-I70 HydrophobicContact CD2-CD1 3.6Å; Y59-I70 HydrophobicContact CE2-CD1 4.16Å; Y59-I70 HydrophobicContact CG-CD1 4.14Å; Y59-M234 HydrophobicContact CE1-CE 4.48Å; Y59-M234 HydrophobicContact CE2-CE 3.65Å; Y59-M234 WeakPolarHBondContact OH-CE 3.25Å; Y59-R260 WeakPolarHBondContact OH-CD 3.41Å
60	A	92	Very high	93.5	Very high	64 Å²	64	62.3 Å²	62.3	53%	0.529	32%	0.317	S	S	.	.			trans	-57.7	143.1	174.4	0	0	0	0	0	110.6	E62 D63 Q67	A60-E62 PolarHBondContact O-N 2.87Å; A60-D63 HydrophobicContact CB-CB 4.47Å; A60-D63 PolarHBondContact O-N 3.46Å; A60-Q67 PolarHBondContact O-NE2 3.28Å
61	V	90.1	Very high	93.4	Very high	130 Å²	130	65 Å²	65	79%	0.788	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-30.9	177.2	-179	0	0	0	0	111.3	D63	V61-D63 VanDerWaalsContact C-N 3.27Å; V61-D63 PolarHBondContact O-N 2.95Å
62	E	91.8	Very high	93.2	Very high	175 Å²	175	61.6 Å²	61.6	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.3	175.5	-57.2	-83.3	177.7	0	0	112.7	A60 T64	A60-E62 PolarHBondContact O-N 2.87Å; E62-T64 PolarHBondContact O-N 2.86Å
63	D	91.8	Very high	93.2	Very high	33 Å²	33	61.6 Å²	61.6	18%	0.176	31%	0.313	C	S	.	.			trans	-80	72.8	177.5	-160.1	-38.3	0	0	0	110.1	A60 V61 I65 Y66 Q67 R236	A60-D63 HydrophobicContact CB-CB 4.47Å; A60-D63 PolarHBondContact O-N 3.46Å; V61-D63 VanDerWaalsContact C-N 3.27Å; V61-D63 PolarHBondContact O-N 2.95Å; D63-I65 PolarHBondContact O-N 3.01Å; D63-I65 VanDerWaalsContact O-N 3.15Å; D63-Y66 PolarHBondContact O-N 2.62Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.29Å; D63-Y66 PolarHBondContact OD1-N 2.84Å; D63-Y66 WeakPolarHBondContact OD2-CD2 3.19Å; D63-Q67 WeakPolarHBondContact O-CB 3.49Å; D63-Q67 VanDerWaalsContact O-CG 3.25Å; D63-Q67 WeakPolarHBondContact O-CG 3.43Å; D63-Q67 PolarHBondContact O-N 3.29Å; D63-R236 IonicContact OD2-CZ 2.81Å; D63-R236 IonicContact OD2-NH2 3.37Å; D63-R236 PolarHBondContact OD2-NH2 2.82Å
64	T	91.1	Very high	93.3	Very high	91 Å²	91	62.5 Å²	62.5	56%	0.558	31%	0.312	S	S	*	.	H	α-helix	trans	-56	-32.1	-175	55.5	0	0	0	0	113.1	E62 L68	E62-T64 PolarHBondContact O-N 2.86Å; T64-L68 WeakPolarHBondContact O-CB 3.33Å; T64-L68 WeakPolarHBondContact O-CG 3.49Å; T64-L68 PolarHBondContact O-N 3.01Å
65	I	91.7	Very high	93.3	Very high	66 Å²	66	69.3 Å²	69.3	34%	0.338	34%	0.34	S	S	.	.	H	α-helix	trans	-66	-55	179.4	-63	175.4	0	0	0	110	D63 Q67 L68 K69	D63-I65 PolarHBondContact O-N 3.01Å; D63-I65 VanDerWaalsContact O-N 3.15Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.15Å; I65-L68 PolarHBondContact O-N 3.09Å; I65-K69 PolarHBondContact O-N 3.31Å
66	Y	92.4	Very high	93.4	Very high	21 Å²	21	72.6 Å²	72.6	8%	0.082	35%	0.354	C	S	.	.	H	α-helix	trans	-65.7	-37.8	178.7	-81.6	-70.7	0	0	0	111.9	Y59 D63 L68 K69 I70 M234 R236	Y59-Y66 VanDerWaalsContact CD1-CB 3.49Å; Y59-Y66 AromaticContact CD1-CD1 3.97Å; Y59-Y66 HydrophobicContact CD1-CD1 3.97Å; Y59-Y66 AromaticContact CD1-CD2 3.69Å; Y59-Y66 HydrophobicContact CD1-CD2 3.69Å; Y59-Y66 HydrophobicContact CD1-CE2 4.37Å; Y59-Y66 AromaticContact CD1-CG 3.44Å; Y59-Y66 HydrophobicContact CD1-CG 3.44Å; Y59-Y66 VanDerWaalsContact CD1-CG 3.44Å; Y59-Y66 AromaticContact CE1-CD1 3.46Å; Y59-Y66 HydrophobicContact CE1-CD1 3.46Å; Y59-Y66 VanDerWaalsContact CE1-CD1 3.46Å; Y59-Y66 AromaticContact CE1-CD2 3.66Å; Y59-Y66 HydrophobicContact CE1-CD2 3.66Å; Y59-Y66 AromaticContact CE1-CE1 3.76Å; Y59-Y66 HydrophobicContact CE1-CE1 3.76Å; Y59-Y66 AromaticContact CE1-CE2 3.94Å; Y59-Y66 HydrophobicContact CE1-CE2 3.94Å; Y59-Y66 AromaticContact CE1-CG 3.41Å; Y59-Y66 HydrophobicContact CE1-CG 3.41Å; Y59-Y66 VanDerWaalsContact CE1-CG 3.41Å; Y59-Y66 AromaticContact CE1-CZ 3.99Å; Y59-Y66 HydrophobicContact CG-CG 4.3Å; Y59-Y66 AromaticContact CZ-CD1 3.9Å; D63-Y66 PolarHBondContact O-N 2.62Å; D63-Y66 WeakPolarHBondContact OD1-CD2 3.29Å; D63-Y66 PolarHBondContact OD1-N 2.84Å; D63-Y66 WeakPolarHBondContact OD2-CD2 3.19Å; Y66-L68 VanDerWaalsContact C-N 3.32Å; Y66-L68 PolarHBondContact O-N 3.22Å; Y66-K69 PolarHBondContact O-N 2.66Å; Y66-I70 WeakPolarHBondContact O-CB 3.36Å; Y66-I70 WeakPolarHBondContact O-CD1 3.23Å; Y66-I70 WeakPolarHBondContact O-CG1 3.21Å; Y66-I70 PolarHBondContact O-N 3.31Å; Y66-M234 HydrophobicContact CD1-CE 3.84Å; Y66-M234 HydrophobicContact CD1-CG 3.9Å; Y66-M234 HydrophobicContact CD1-SD 4.23Å; Y66-M234 HydrophobicContact CE1-CE 4.11Å; Y66-M234 HydrophobicContact CE1-CG 4.03Å; Y66-M234 WeakPolarHBondContact CE1-O 3.42Å; Y66-R236 HydrophobicContact CE2-CG 3.83Å
67	Q	93.9	Very high	93.7	Very high	28 Å²	28	69.4 Å²	69.4	13%	0.131	34%	0.339	C	S	.	.	H	α-helix	trans	-61.6	-38.8	176	-68.7	-65.4	-22	0	0	112.4	Q56 Y59 A60 D63 I65 K71	Q56-Q67 PolarHBondContact O-NE2 3.12Å; Y59-Q67 PolarHBondContact O-NE2 3.42Å; Y59-Q67 VanDerWaalsContact O-NE2 3.14Å; A60-Q67 PolarHBondContact O-NE2 3.28Å; D63-Q67 WeakPolarHBondContact O-CB 3.49Å; D63-Q67 VanDerWaalsContact O-CG 3.25Å; D63-Q67 WeakPolarHBondContact O-CG 3.43Å; D63-Q67 PolarHBondContact O-N 3.29Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.15Å; Q67-K71 VanDerWaalsContact O-CG 3.32Å; Q67-K71 WeakPolarHBondContact O-CG 3.45Å; Q67-K71 PolarHBondContact O-N 3.21Å; Q67-K71 VanDerWaalsContact O-N 3.12Å
68	L	94.1	Very high	94	Very high	90 Å²	90	62.5 Å²	62.5	47%	0.471	32%	0.321	S	S	.	.	H	α-helix	trans	-67.5	-44.7	174.6	-74.3	170.2	0	0	0	111.9	T64 I65 Y66 I70 K71 D72 G240	T64-L68 WeakPolarHBondContact O-CB 3.33Å; T64-L68 WeakPolarHBondContact O-CG 3.49Å; T64-L68 PolarHBondContact O-N 3.01Å; I65-L68 PolarHBondContact O-N 3.09Å; Y66-L68 VanDerWaalsContact C-N 3.32Å; Y66-L68 PolarHBondContact O-N 3.22Å; L68-I70 PolarHBondContact O-N 2.99Å; L68-K71 WeakPolarHBondContact O-CB 3.3Å; L68-K71 PolarHBondContact O-N 2.96Å; L68-D72 PolarHBondContact O-N 3.41Å; L68-G240 CarbonylContact C-O 3.59Å
69	K	95.3	Very high	94.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-40.1	177.8	-74.6	-170.7	-175.3	-131.8	0	112.4	I65 Y66 K71 D72 L73 M234 D235 G237 G240 S241 V242	I65-K69 PolarHBondContact O-N 3.31Å; Y66-K69 PolarHBondContact O-N 2.66Å; K69-K71 VanDerWaalsContact C-N 3.35Å; K69-K71 PolarHBondContact O-N 3.34Å; K69-D72 WeakPolarHBondContact O-CB 3.41Å; K69-D72 PolarHBondContact O-N 3.02Å; K69-L73 WeakPolarHBondContact O-CB 3.47Å; K69-L73 PolarHBondContact O-N 2.97Å; K69-M234 HydrophobicContact CB-CG 4Å; K69-M234 HydrophobicContact CB-SD 4.45Å; K69-M234 HydrophobicContact CD-CG 4.26Å; K69-D235 WeakPolarHBondContact CD-O 3.47Å; K69-D235 WeakPolarHBondContact CE-O 3.5Å; K69-D235 PolarHBondContact NZ-O 3.39Å; K69-D235 IonicContact NZ-OD1 3.44Å; K69-D235 PolarHBondContact NZ-OD1 3.44Å; K69-G237 PolarHBondContact NZ-O 2.99Å; K69-G240 WeakPolarHBondContact CA-O 3.43Å; K69-S241 PolarHBondContact NZ-O 2.71Å; K69-V242 HydrophobicContact CB-CG2 3.81Å; K69-V242 HydrophobicContact CG-CG2 4.29Å; K69-V242 VanDerWaalsContact O-CG2 3.27Å; K69-V242 WeakPolarHBondContact O-CG2 3.33Å
70	I	95.1	Very high	94.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.2	-40.7	174.6	-65.1	160.9	0	0	0	110.9	L55 Q56 Y59 Y66 L68 D72 L73 H74 M234	L55-I70 HydrophobicContact CB-CD1 4.22Å; L55-I70 HydrophobicContact CB-CG1 4.3Å; L55-I70 HydrophobicContact CB-CG2 4.2Å; Q56-I70 HydrophobicContact CG-CB 4.47Å; Q56-I70 HydrophobicContact CG-CG2 3.43Å; Q56-I70 VanDerWaalsContact CG-CG2 3.43Å; Y59-I70 HydrophobicContact CD2-CD1 3.6Å; Y59-I70 HydrophobicContact CE2-CD1 4.16Å; Y59-I70 HydrophobicContact CG-CD1 4.14Å; Y66-I70 WeakPolarHBondContact O-CB 3.36Å; Y66-I70 WeakPolarHBondContact O-CD1 3.23Å; Y66-I70 WeakPolarHBondContact O-CG1 3.21Å; Y66-I70 PolarHBondContact O-N 3.31Å; L68-I70 PolarHBondContact O-N 2.99Å; I70-D72 VanDerWaalsContact C-N 3.29Å; I70-D72 PolarHBondContact O-N 2.94Å; I70-L73 PolarHBondContact O-N 2.73Å; I70-H74 PolarHBondContact O-CD2 3.23Å; I70-H74 VanDerWaalsContact O-CD2 3.25Å; I70-H74 PolarHBondContact O-N 3.27Å; I70-M234 HydrophobicContact CG1-CE 4.35Å; I70-M234 HydrophobicContact CG1-SD 3.72Å
71	K	94.6	Very high	94.9	Very high	123 Å²	123	57.5 Å²	57.5	54%	0.535	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-36.8	173.3	-76	173.5	-178.1	177	0	112.5	Q67 L68 K69	Q67-K71 VanDerWaalsContact O-CG 3.32Å; Q67-K71 WeakPolarHBondContact O-CG 3.45Å; Q67-K71 PolarHBondContact O-N 3.21Å; Q67-K71 VanDerWaalsContact O-N 3.12Å; L68-K71 WeakPolarHBondContact O-CB 3.3Å; L68-K71 PolarHBondContact O-N 2.96Å; K69-K71 VanDerWaalsContact C-N 3.35Å; K69-K71 PolarHBondContact O-N 3.34Å
72	D	95.3	Very high	95.2	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-42.8	174.7	-168.2	62.2	0	0	0	112	L68 K69 I70 H74 K75 K76 S241 V242	L68-D72 PolarHBondContact O-N 3.41Å; K69-D72 WeakPolarHBondContact O-CB 3.41Å; K69-D72 PolarHBondContact O-N 3.02Å; I70-D72 VanDerWaalsContact C-N 3.29Å; I70-D72 PolarHBondContact O-N 2.94Å; D72-H74 VanDerWaalsContact C-N 3.29Å; D72-H74 PolarHBondContact O-N 3.49Å; D72-K75 VanDerWaalsContact O-CB 3.31Å; D72-K75 WeakPolarHBondContact O-CB 3.2Å; D72-K75 PolarHBondContact O-N 3.13Å; D72-K75 IonicContact OD1-NZ 3.63Å; D72-K75 PolarHBondContact OD1-NZ 2.99Å; D72-K76 IonicContact OD2-NZ 3.67Å; D72-S241 WeakPolarHBondContact OD2-CA 3.34Å; D72-V242 PolarHBondContact OD2-N 3.48Å; D72-V242 VanDerWaalsContact OD2-N 3.16Å
73	L	96.4	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-39	176.7	-162.7	67.1	0	0	0	112	L52 L55 K69 I70 K75 K76 Y77 E232 V242 L258 L267	L52-L73 HydrophobicContact CD1-CD2 4.02Å; L52-L73 HydrophobicContact CD2-CB 4.19Å; L52-L73 HydrophobicContact CD2-CD2 4.06Å; L52-L73 HydrophobicContact CD2-CG 3.9Å; L55-L73 HydrophobicContact CD1-CD2 4.06Å; K69-L73 WeakPolarHBondContact O-CB 3.47Å; K69-L73 PolarHBondContact O-N 2.97Å; I70-L73 PolarHBondContact O-N 2.73Å; L73-K75 PolarHBondContact O-N 2.9Å; L73-K75 VanDerWaalsContact O-N 3.15Å; L73-K76 PolarHBondContact O-N 3.11Å; L73-Y77 HydrophobicContact CD1-CD2 3.54Å; L73-Y77 HydrophobicContact CD1-CE2 3.75Å; L73-Y77 HydrophobicContact CG-CD2 3.97Å; L73-Y77 PolarHBondContact O-N 3.22Å; L73-E232 HydrophobicContact CD1-CB 4.06Å; L73-E232 HydrophobicContact CD1-CG 3.93Å; L73-V242 HydrophobicContact CB-CG2 4.27Å; L73-V242 HydrophobicContact CD1-CG1 4.39Å; L73-V242 HydrophobicContact CD1-CG2 4.37Å; L73-L258 HydrophobicContact CD2-CD1 3.87Å; L73-L258 HydrophobicContact CD2-CD2 4.27Å; L73-L267 HydrophobicContact CD1-CD1 3.99Å; L73-L267 HydrophobicContact CD2-CD2 4.14Å
74	H	95.5	Very high	95.8	Very high	63 Å²	63	44.6 Å²	44.6	29%	0.292	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.8	174.5	-92.8	-67.4	0	0	0	115	S53 Q56 I70 D72 K76	S53-H74 PolarHBondContact N-CE1 2.96Å; S53-H74 VanDerWaalsContact N-CE1 3.29Å; Q56-H74 PolarHBondContact NE2-CD2 3.44Å; Q56-H74 VanDerWaalsContact NE2-CD2 3.33Å; Q56-H74 PolarHBondContact NE2-NE2 3.2Å; I70-H74 PolarHBondContact O-CD2 3.23Å; I70-H74 VanDerWaalsContact O-CD2 3.25Å; I70-H74 PolarHBondContact O-N 3.27Å; D72-H74 VanDerWaalsContact C-N 3.29Å; D72-H74 PolarHBondContact O-N 3.49Å; H74-K76 VanDerWaalsContact C-N 3.25Å
75	K	95.5	Very high	96	Very high	159 Å²	159	42.8 Å²	42.8	69%	0.691	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.1	174.4	-56	172.2	-166.7	156.3	0	112	D72 L73	D72-K75 VanDerWaalsContact O-CB 3.31Å; D72-K75 WeakPolarHBondContact O-CB 3.2Å; D72-K75 PolarHBondContact O-N 3.13Å; D72-K75 IonicContact OD1-NZ 3.63Å; D72-K75 PolarHBondContact OD1-NZ 2.99Å; L73-K75 PolarHBondContact O-N 2.9Å; L73-K75 VanDerWaalsContact O-N 3.15Å
76	K	96.3	Very high	96.2	Very high	68 Å²	68	40.5 Å²	40.5	30%	0.296	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-30.6	-171.3	-60.8	-176.8	-112	173.3	0	112.7	D72 L73 H74 E232 V242	D72-K76 IonicContact OD2-NZ 3.67Å; L73-K76 PolarHBondContact O-N 3.11Å; H74-K76 VanDerWaalsContact C-N 3.25Å; K76-E232 IonicContact NZ-OE1 2.67Å; K76-E232 PolarHBondContact NZ-OE1 2.95Å; K76-E232 IonicContact NZ-OE2 3.66Å; K76-E232 PolarHBondContact NZ-OE2 2.85Å; K76-V242 PolarHBondContact NZ-O 3.37Å
77	Y	98.1	Very high	96.3	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.02	20%	0.197	C	C	.	.			trans	-135.8	140.6	-173	-53.9	-81.5	0	0	0	112	L52 L73 L230 E232 F256 L267 Y268 K269	L52-Y77 WeakPolarHBondContact CD2-O 3.34Å; L73-Y77 HydrophobicContact CD1-CD2 3.54Å; L73-Y77 HydrophobicContact CD1-CE2 3.75Å; L73-Y77 HydrophobicContact CG-CD2 3.97Å; L73-Y77 PolarHBondContact O-N 3.22Å; Y77-L230 WeakPolarHBondContact OH-CD2 3.38Å; Y77-E232 HydrophobicContact CE2-CG 3.58Å; Y77-E232 VanDerWaalsContact CE2-OE1 3.25Å; Y77-E232 WeakPolarHBondContact CE2-OE1 3.4Å; Y77-E232 PolarHBondContact OH-OE1 3.31Å; Y77-F256 HydrophobicContact CE1-CB 3.96Å; Y77-F256 AromaticContact CE1-CD1 3.86Å; Y77-F256 HydrophobicContact CE1-CD1 3.86Å; Y77-F256 HydrophobicContact CE1-CG 4.05Å; Y77-L267 HydrophobicContact CD1-CB 3.66Å; Y77-L267 HydrophobicContact CD1-CD1 4.38Å; Y77-L267 HydrophobicContact CD2-CD1 3.9Å; Y77-L267 HydrophobicContact CE1-CB 3.95Å; Y77-L267 HydrophobicContact CE1-CD1 4.31Å; Y77-L267 HydrophobicContact CE2-CD1 3.85Å; Y77-L267 HydrophobicContact CG-CB 3.97Å; Y77-L267 HydrophobicContact CG-CD1 4.18Å; Y77-L267 HydrophobicContact CG-CD2 4.47Å; Y77-L267 HydrophobicContact CG-CG 4.45Å; Y77-Y268 CarbonylContact C-O 3.57Å; Y77-Y268 WeakPolarHBondContact CA-O 3.29Å; Y77-Y268 VanDerWaalsContact CB-O 3.31Å; Y77-Y268 WeakPolarHBondContact CB-O 3.31Å; Y77-K269 HydrophobicContact CD1-CG 3.99Å; Y77-K269 HydrophobicContact CE1-CG 4.06Å
78	S	97.9	Very high	96.5	Very high	51 Å²	51	39.2 Å²	39.2	36%	0.357	19%	0.192	S	C	.	.	S	Bend	trans	-97	-37.1	179.4	-54.6	0	0	0	0	112.2	L52 Y268 K269	L52-S78 WeakPolarHBondContact CB-O 3.31Å; L52-S78 PolarHBondContact N-O 3.23Å; S78-Y268 PolarHBondContact N-O 3.17Å; S78-K269 VanDerWaalsContact CB-OXT 3.28Å; S78-K269 WeakPolarHBondContact CB-OXT 3.18Å; S78-K269 PolarHBondContact N-OXT 3.25Å; S78-K269 VanDerWaalsContact N-OXT 3.15Å; S78-K269 PolarHBondContact OG-OXT 2.85Å
79	Y	98.5	Very high	96.7	Very high	76 Å²	76	35.3 Å²	35.3	30%	0.298	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	159.3	-175.1	-53.5	-91.8	0	0	0	113.4	R49 Q50 E51 Y268	R49-Y79 HydrophobicContact CG-CD1 3.97Å; R49-Y79 HydrophobicContact CG-CG 3.91Å; Q50-Y79 CarbonylContact O-C 3.53Å; Q50-Y79 VanDerWaalsContact O-CA 3.23Å; Q50-Y79 WeakPolarHBondContact O-CA 3.46Å; Q50-Y79 VanDerWaalsContact O-CB 3.31Å; Q50-Y79 WeakPolarHBondContact O-CB 3.49Å; Q50-Y79 WeakPolarHBondContact O-CD1 3.47Å; E51-Y79 VanDerWaalsContact CD-CE1 3.47Å; E51-Y79 HydrophobicContact CG-CE1 4.16Å; E51-Y79 WeakPolarHBondContact OE1-CE1 3.26Å; E51-Y79 PolarHBondContact OE1-OH 2.98Å; E51-Y79 VanDerWaalsContact OE1-OH 3.05Å; Y79-Y268 PolarHBondContact N-O 3.15Å; Y79-Y268 VanDerWaalsContact N-O 3.16Å; Y79-Y268 PolarHBondContact O-N 3.39Å
80	I	98.5	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.9	170.9	-173.5	169.1	0	0	0	109.9	Q50 L52 V54 L55 L258 D265 I266 L267	Q50-I80 HydrophobicContact CB-CG2 4.32Å; Q50-I80 PolarHBondContact N-O 2.86Å; Q50-I80 PolarHBondContact O-N 3.09Å; L52-I80 HydrophobicContact CD1-CB 3.8Å; L52-I80 HydrophobicContact CD1-CD1 4.37Å; L52-I80 HydrophobicContact CD1-CG2 4.19Å; V54-I80 HydrophobicContact CG2-CG2 3.52Å; L55-I80 HydrophobicContact CD1-CD1 3.94Å; L55-I80 HydrophobicContact CD2-CD1 3.78Å; L55-I80 HydrophobicContact CG-CD1 3.95Å; I80-L258 HydrophobicContact CD1-CD2 3.96Å; I80-D265 HydrophobicContact CD1-CB 3.87Å; I80-D265 HydrophobicContact CG1-CB 4.04Å; I80-I266 CarbonylContact C-O 3.54Å; I80-I266 VanDerWaalsContact CA-O 3.28Å; I80-I266 WeakPolarHBondContact CA-O 3.42Å; I80-I266 WeakPolarHBondContact CG1-O 3.4Å; I80-L267 HydrophobicContact CG1-CD2 4.46Å
81	R	98.4	Very high	97	Very high	5 Å²	5	35.4 Å²	35.4	2%	0.019	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.8	165.2	-176.9	-177.1	-58.6	-97	18.1	108.6	V46 S47 F96 E100 I266 Y268	V46-R81 VanDerWaalsContact CG1-CD 3.41Å; V46-R81 HydrophobicContact CG1-CG 3.89Å; S47-R81 WeakPolarHBondContact O-CD 3.34Å; S47-R81 VanDerWaalsContact O-CG 3.24Å; S47-R81 WeakPolarHBondContact O-CG 3.16Å; S47-R81 PolarHBondContact O-NH1 3.38Å; R81-F96 VanDerWaalsContact CD-CE1 3.41Å; R81-F96 VanDerWaalsContact NE-CE1 3.29Å; R81-E100 IonicContact NH2-OE1 3.04Å; R81-E100 PolarHBondContact NH2-OE1 3.41Å; R81-I266 HydrophobicContact CB-CB 4.23Å; R81-I266 HydrophobicContact CB-CD1 4.47Å; R81-I266 PolarHBondContact N-O 3.24Å; R81-I266 PolarHBondContact O-N 3.48Å; R81-Y268 HydrophobicContact CB-CE2 3.63Å; R81-Y268 PolarHBondContact NE-OH 3.5Å
82	K	98	Very high	97.2	Very high	42 Å²	42	29.6 Å²	29.6	18%	0.183	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	147.6	-174.4	-59.6	-173.5	64.1	160.3	0	111.5	S47 E58 D265	S47-K82 PolarHBondContact N-O 3.16Å; S47-K82 PolarHBondContact OG-N 2.81Å; S47-K82 PolarHBondContact OG-O 2.74Å; E58-K82 IonicContact OE1-NZ 2.93Å; E58-K82 PolarHBondContact OE1-NZ 3.3Å; E58-K82 IonicContact OE2-NZ 3.12Å; E58-K82 PolarHBondContact OE2-NZ 2.78Å; K82-D265 WeakPolarHBondContact CA-OD1 3.49Å; K82-D265 WeakPolarHBondContact CB-OD1 2.99Å
83	T	98.2	Very high	97.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	161.6	170.7	72.7	0	0	0	0	111.2	L45 C89 A93 H263 Y264 D265	L45-T83 WeakPolarHBondContact O-CA 3.44Å; T83-C89 WeakPolarHBondContact OG1-CB 3.49Å; T83-A93 HydrophobicContact CG2-CB 3.79Å; T83-H263 PolarHBondContact O-CE1 3.06Å; T83-H263 PolarHBondContact O-NE2 3.1Å; T83-H263 PolarHBondContact OG1-CE1 3.4Å; T83-Y264 PolarHBondContact OG1-O 3.2Å; T83-D265 PolarHBondContact N-OD1 3.41Å
84	R	97.6	Very high	97.5	Very high	23 Å²	23	28.5 Å²	28.5	9%	0.087	14%	0.142	C	C	.	.			trans	-68.1	134.6	175.9	-172.7	-179.9	-71.8	166.7	-3.2	110.3	I39 A40 I43 L45 D86	I39-R84 HydrophobicContact CG2-CG 3.65Å; A40-R84 VanDerWaalsContact CB-CZ 3.49Å; A40-R84 PolarHBondContact O-NH2 3.46Å; I43-R84 HydrophobicContact CG2-CB 4.46Å; I43-R84 PolarHBondContact O-NE 2.85Å; I43-R84 PolarHBondContact O-NH2 2.96Å; L45-R84 PolarHBondContact O-N 2.97Å; L45-R84 VanDerWaalsContact O-N 3.09Å; R84-D86 HydrophobicContact CG-CB 4.03Å; R84-D86 PolarHBondContact O-N 2.88Å
85	P	95.6	Very high	97.6	Very high	54 Å²	54	25.6 Å²	25.6	35%	0.351	13%	0.129	S	C	.	.			trans	-79.6	66.9	174.1	33.5	-35.5	0	0	0	110.9	I39 I43	I39-P85 HydrophobicContact CG2-CG 3.86Å; I43-P85 HydrophobicContact CD1-CG 4.19Å
86	D	95.2	Very high	97.7	Very high	18 Å²	18	18 Å²	18	10%	0.096	10%	0.096	C	C	.	.	S	Bend	trans	-109	16.7	-176.8	62	2.8	0	0	0	113.1	R84 N88 R92 S210	R84-D86 HydrophobicContact CG-CB 4.03Å; R84-D86 PolarHBondContact O-N 2.88Å; D86-N88 PolarHBondContact O-N 3.47Å; D86-N88 PolarHBondContact O-ND2 3Å; D86-N88 WeakPolarHBondContact OD1-CA 3.45Å; D86-N88 VanDerWaalsContact OD1-CB 3.3Å; D86-N88 WeakPolarHBondContact OD1-CB 3.43Å; D86-N88 PolarHBondContact OD1-N 3.24Å; D86-R92 IonicContact OD2-CZ 2.71Å; D86-R92 IonicContact OD2-NE 3.16Å; D86-R92 IonicContact OD2-NH2 3.73Å; D86-R92 PolarHBondContact OD2-NH2 2.74Å; D86-S210 WeakPolarHBondContact O-CA 3.47Å; D86-S210 WeakPolarHBondContact O-CB 3.14Å; D86-S210 PolarHBondContact O-OG 3.33Å
87	G	94.8	Very high	97.8	Very high	18 Å²	18	15.2 Å²	15.2	19%	0.186	8%	0.084	C	C	.	.	S	Bend	trans	74.8	-5.4	-173.1	0	0	0	0	0	114.5	R174 K211	G87-R174 PolarHBondContact O-NH2 3.04Å; G87-R174 VanDerWaalsContact O-NH2 3.08Å; G87-K211 CarbonylContact O-C 3.54Å
88	N	97.9	Very high	97.8	Very high	3 Å²	3	15 Å²	15	2%	0.016	8%	0.084	C	C	.	.			trans	-106.9	2.4	178	-57	-58	0	0	0	113.1	D86 F90 Y91 R92 V170 R174 S210	D86-N88 PolarHBondContact O-N 3.47Å; D86-N88 PolarHBondContact O-ND2 3Å; D86-N88 WeakPolarHBondContact OD1-CA 3.45Å; D86-N88 VanDerWaalsContact OD1-CB 3.3Å; D86-N88 WeakPolarHBondContact OD1-CB 3.43Å; D86-N88 PolarHBondContact OD1-N 3.24Å; N88-F90 VanDerWaalsContact C-N 3.29Å; N88-F90 PolarHBondContact O-N 3.47Å; N88-F90 VanDerWaalsContact O-N 3.16Å; N88-Y91 PolarHBondContact O-N 2.84Å; N88-Y91 VanDerWaalsContact O-N 3.15Å; N88-R92 WeakPolarHBondContact O-CB 3.4Å; N88-R92 PolarHBondContact O-N 3.44Å; N88-V170 HydrophobicContact CB-CG1 3.77Å; N88-V170 HydrophobicContact CB-CG2 4.2Å; N88-R174 PolarHBondContact OD1-NE 2.97Å; N88-R174 PolarHBondContact OD1-NH2 3.45Å; N88-S210 PolarHBondContact OD1-N 3.16Å
89	C	97.6	Very high	97.8	Very high	9 Å²	9	12.7 Å²	12.7	6%	0.061	7%	0.067	C	C	.	.	H	α-helix	trans	-49.2	-41.9	-174.2	56.3	0	0	0	0	114.3	T83 A93	T83-C89 WeakPolarHBondContact OG1-CB 3.49Å; C89-A93 WeakPolarHBondContact O-CB 3.39Å; C89-A93 PolarHBondContact O-N 3.45Å
90	F	98.6	Very high	97.7	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-58	176.6	167.3	-114.1	0	0	0	112.2	N88 R92 A93 F94 H217 I218 L221 I229 L257 Y264	N88-F90 VanDerWaalsContact C-N 3.29Å; N88-F90 PolarHBondContact O-N 3.47Å; N88-F90 VanDerWaalsContact O-N 3.16Å; F90-R92 VanDerWaalsContact C-N 3.26Å; F90-R92 PolarHBondContact O-N 2.85Å; F90-A93 PolarHBondContact O-N 2.94Å; F90-F94 HydrophobicContact CE2-CB 4.31Å; F90-F94 WeakPolarHBondContact O-CB 3.5Å; F90-F94 PolarHBondContact O-N 2.78Å; F90-H217 HydrophobicContact CE1-CB 4.42Å; F90-I218 HydrophobicContact CD2-CG1 4.02Å; F90-I218 HydrophobicContact CE1-CG1 4.41Å; F90-I218 HydrophobicContact CE2-CB 4.23Å; F90-I218 HydrophobicContact CE2-CG1 3.61Å; F90-I218 HydrophobicContact CE2-CG2 4.2Å; F90-I218 HydrophobicContact CZ-CB 4.13Å; F90-I218 HydrophobicContact CZ-CG1 3.83Å; F90-I218 HydrophobicContact CZ-CG2 4.32Å; F90-L221 HydrophobicContact CE1-CB 4.38Å; F90-L221 HydrophobicContact CE1-CD2 3.73Å; F90-L221 HydrophobicContact CZ-CB 4.38Å; F90-L221 HydrophobicContact CZ-CD2 3.85Å; F90-I229 HydrophobicContact CZ-CD1 4.5Å; F90-L257 HydrophobicContact CD2-CD1 4.03Å; F90-L257 HydrophobicContact CE2-CD1 4.05Å; F90-Y264 HydrophobicContact CB-CD2 3.71Å; F90-Y264 HydrophobicContact CB-CE2 3.99Å; F90-Y264 HydrophobicContact CB-CG 4.08Å; F90-Y264 HydrophobicContact CD2-CD1 4.38Å; F90-Y264 HydrophobicContact CD2-CE1 4.43Å
91	Y	98.8	Very high	97.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-38.8	-178.6	-63.6	-72.9	0	0	0	111.8	N88 G95 V170 L173 R174 T177 S213 H217 L221	N88-Y91 PolarHBondContact O-N 2.84Å; N88-Y91 VanDerWaalsContact O-N 3.15Å; Y91-G95 PolarHBondContact O-N 3.34Å; Y91-V170 HydrophobicContact CD2-CG1 4.43Å; Y91-V170 HydrophobicContact CG-CG1 4.48Å; Y91-L173 HydrophobicContact CD1-CB 3.69Å; Y91-L173 HydrophobicContact CE1-CB 4.44Å; Y91-L173 HydrophobicContact CG-CB 4.42Å; Y91-L173 WeakPolarHBondContact O-CD1 3.36Å; Y91-R174 HydrophobicContact CD1-CG 4.34Å; Y91-R174 HydrophobicContact CD2-CG 3.85Å; Y91-R174 HydrophobicContact CE1-CG 4.05Å; Y91-R174 HydrophobicContact CE2-CG 3.53Å; Y91-R174 VanDerWaalsContact CE2-CZ 3.4Å; Y91-R174 HydrophobicContact CG-CG 4.23Å; Y91-T177 WeakPolarHBondContact CE1-OG1 3.04Å; Y91-S213 WeakPolarHBondContact CE2-OG 3.48Å; Y91-H217 PolarHBondContact OH-CD2 3.38Å; Y91-L221 HydrophobicContact CD1-CD2 3.88Å; Y91-L221 HydrophobicContact CE1-CD2 4.11Å
92	R	98.6	Very high	97.5	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	7%	0.067	C	C	.	.	H	α-helix	trans	-68.9	-44.2	179.1	-154.1	179.9	-56.8	-79	7.2	111.7	L45 V46 D86 N88 F90 F96 S166 D167 V170	L45-R92 WeakPolarHBondContact O-CD 3.28Å; V46-R92 HydrophobicContact CG2-CG 3.97Å; D86-R92 IonicContact OD2-CZ 2.71Å; D86-R92 IonicContact OD2-NE 3.16Å; D86-R92 IonicContact OD2-NH2 3.73Å; D86-R92 PolarHBondContact OD2-NH2 2.74Å; N88-R92 WeakPolarHBondContact O-CB 3.4Å; N88-R92 PolarHBondContact O-N 3.44Å; F90-R92 VanDerWaalsContact C-N 3.26Å; F90-R92 PolarHBondContact O-N 2.85Å; R92-F96 PolarHBondContact O-N 3.45Å; R92-F96 VanDerWaalsContact O-N 3.08Å; R92-S166 PolarHBondContact NH1-O 2.94Å; R92-S166 PolarHBondContact NH1-OG 3.2Å; R92-D167 IonicContact CZ-OD1 2.96Å; R92-D167 IonicContact NH1-OD1 2.66Å; R92-D167 PolarHBondContact NH1-OD1 3.43Å; R92-D167 IonicContact NH2-OD1 3.27Å; R92-D167 PolarHBondContact NH2-OD1 3.24Å; R92-V170 HydrophobicContact CB-CG2 4.28Å
93	A	98.7	Very high	97.3	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-47.9	176.4	0	0	0	0	0	111.4	T83 C89 F90 S97 L257 I266	T83-A93 HydrophobicContact CG2-CB 3.79Å; C89-A93 WeakPolarHBondContact O-CB 3.39Å; C89-A93 PolarHBondContact O-N 3.45Å; F90-A93 PolarHBondContact O-N 2.94Å; A93-S97 WeakPolarHBondContact O-CB 3.1Å; A93-S97 PolarHBondContact O-N 3.43Å; A93-L257 HydrophobicContact CB-CD2 3.88Å; A93-I266 HydrophobicContact CB-CD1 4.41Å; A93-I266 HydrophobicContact CB-CG1 3.75Å; A93-I266 WeakPolarHBondContact O-CD1 3.33Å
94	F	98.7	Very high	96.9	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-52.5	175.9	171.7	-93.9	0	0	0	111.4	F90 F96 S97 H98 L173 L221 L225 V227 I229 V255	F90-F94 HydrophobicContact CE2-CB 4.31Å; F90-F94 WeakPolarHBondContact O-CB 3.5Å; F90-F94 PolarHBondContact O-N 2.78Å; F94-F96 PolarHBondContact O-N 2.85Å; F94-S97 PolarHBondContact O-N 2.88Å; F94-H98 HydrophobicContact CZ-CB 4.47Å; F94-H98 VanDerWaalsContact O-CB 3.23Å; F94-H98 WeakPolarHBondContact O-CB 3.26Å; F94-H98 PolarHBondContact O-N 3.15Å; F94-L173 HydrophobicContact CD1-CD1 4.21Å; F94-L173 HydrophobicContact CD1-CD2 4.28Å; F94-L173 HydrophobicContact CE1-CD2 4.09Å; F94-L221 HydrophobicContact CD1-CD2 3.53Å; F94-L221 HydrophobicContact CD1-CG 4.29Å; F94-L221 HydrophobicContact CE1-CD2 3.79Å; F94-L221 HydrophobicContact CE1-CG 4.05Å; F94-L221 HydrophobicContact CG-CD2 3.94Å; F94-L221 HydrophobicContact CZ-CD2 4.39Å; F94-L221 HydrophobicContact CZ-CG 4.32Å; F94-L225 HydrophobicContact CE1-CD1 3.54Å; F94-L225 HydrophobicContact CZ-CD1 3.71Å; F94-V227 HydrophobicContact CE2-CB 4.31Å; F94-V227 HydrophobicContact CE2-CG1 3.92Å; F94-V227 HydrophobicContact CZ-CB 4.31Å; F94-V227 HydrophobicContact CZ-CG1 4.25Å; F94-I229 HydrophobicContact CD2-CD1 3.43Å; F94-I229 VanDerWaalsContact CD2-CD1 3.43Å; F94-I229 HydrophobicContact CD2-CG1 3.95Å; F94-I229 HydrophobicContact CE2-CD1 3.49Å; F94-I229 VanDerWaalsContact CE2-CD1 3.49Å; F94-I229 HydrophobicContact CE2-CG1 3.83Å; F94-V255 HydrophobicContact CD2-CG1 4.45Å
95	G	98.3	Very high	96.8	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-58.1	-48.8	-176.9	0	0	0	0	0	112	Y91 L99 F160	Y91-G95 PolarHBondContact O-N 3.34Å; G95-L99 WeakPolarHBondContact O-CB 3.38Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.04Å; G95-L99 VanDerWaalsContact O-N 3.14Å; G95-F160 VanDerWaalsContact C-CZ 3.48Å
96	F	98.6	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-67.4	-51.3	179.3	-178.5	-93.5	0	0	0	111.8	V46 R81 R92 F94 H98 L99 E100 L153 L156 L157 F160 I266	V46-F96 HydrophobicContact CG1-CD1 4.18Å; V46-F96 HydrophobicContact CG1-CD2 4.38Å; V46-F96 HydrophobicContact CG1-CE1 4.49Å; V46-F96 HydrophobicContact CG1-CG 4.12Å; R81-F96 VanDerWaalsContact CD-CE1 3.41Å; R81-F96 VanDerWaalsContact NE-CE1 3.29Å; R92-F96 PolarHBondContact O-N 3.45Å; R92-F96 VanDerWaalsContact O-N 3.08Å; F94-F96 PolarHBondContact O-N 2.85Å; F96-H98 VanDerWaalsContact C-N 3.29Å; F96-H98 PolarHBondContact O-N 3.07Å; F96-L99 PolarHBondContact O-N 3.06Å; F96-E100 HydrophobicContact CE1-CB 4.28Å; F96-E100 HydrophobicContact CE1-CG 4.46Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.3Å; F96-E100 VanDerWaalsContact O-CB 3.26Å; F96-E100 WeakPolarHBondContact O-CB 3.38Å; F96-E100 PolarHBondContact O-N 2.64Å; F96-L153 HydrophobicContact CZ-CD1 3.94Å; F96-L156 HydrophobicContact CE2-CD2 4.45Å; F96-L156 HydrophobicContact CE2-CG 4.21Å; F96-L157 HydrophobicContact CD2-CD1 4.46Å; F96-L157 HydrophobicContact CE2-CB 3.94Å; F96-L157 HydrophobicContact CE2-CD1 3.77Å; F96-L157 HydrophobicContact CE2-CG 4.47Å; F96-L157 HydrophobicContact CZ-CB 4.24Å; F96-L157 HydrophobicContact CZ-CD1 3.91Å; F96-F160 HydrophobicContact CB-CD1 3.78Å; F96-F160 HydrophobicContact CB-CE1 3.83Å; F96-F160 HydrophobicContact CB-CG 4.14Å; F96-F160 HydrophobicContact CB-CZ 4.23Å; F96-F160 HydrophobicContact CD2-CB 3.93Å; F96-F160 HydrophobicContact CD2-CD1 4.25Å; F96-F160 AromaticContact CD2-CD2 3.78Å; F96-F160 HydrophobicContact CD2-CD2 3.78Å; F96-F160 HydrophobicContact CD2-CE2 4.34Å; F96-F160 AromaticContact CD2-CG 3.71Å; F96-F160 HydrophobicContact CD2-CG 3.71Å; F96-F160 HydrophobicContact CG-CG 4.4Å; F96-F160 VanDerWaalsContact N-CE1 3.32Å; F96-I266 HydrophobicContact CB-CD1 4.25Å; F96-I266 HydrophobicContact CD1-CD1 3.65Å; F96-I266 HydrophobicContact CG-CD1 4.39Å
97	S	98.2	Very high	96.8	Very high	8 Å²	8	29.6 Å²	29.6	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-39.2	-176.7	-179.3	0	0	0	0	111.9	A93 F94 S101	A93-S97 WeakPolarHBondContact O-CB 3.1Å; A93-S97 PolarHBondContact O-N 3.43Å; F94-S97 PolarHBondContact O-N 2.88Å; S97-S101 PolarHBondContact O-N 3.03Å; S97-S101 VanDerWaalsContact O-N 3.09Å
98	H	97.8	Very high	96.9	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-51.6	177.9	-167.2	53.9	0	0	0	111.3	F94 F96 E100 S101 L102 F112 V227 V255	F94-H98 HydrophobicContact CZ-CB 4.47Å; F94-H98 VanDerWaalsContact O-CB 3.23Å; F94-H98 WeakPolarHBondContact O-CB 3.26Å; F94-H98 PolarHBondContact O-N 3.15Å; F96-H98 VanDerWaalsContact C-N 3.29Å; F96-H98 PolarHBondContact O-N 3.07Å; H98-E100 VanDerWaalsContact C-N 3.31Å; H98-E100 PolarHBondContact O-N 3.09Å; H98-S101 WeakPolarHBondContact O-CB 3.36Å; H98-S101 PolarHBondContact O-N 3.36Å; H98-S101 PolarHBondContact O-OG 3.14Å; H98-L102 WeakPolarHBondContact O-CG 3.33Å; H98-L102 PolarHBondContact O-N 3.34Å; H98-L102 VanDerWaalsContact O-N 3.15Å; H98-F112 AromaticContact CD2-CD2 3.72Å; H98-F112 AromaticContact CD2-CE2 3.34Å; H98-F112 WeakPolarHBondContact CD2-CE2 3.33Å; H98-F112 AromaticContact CD2-CZ 3.59Å; H98-F112 AromaticContact NE2-CD2 3.16Å; H98-F112 WeakPolarHBondContact NE2-CD2 3.37Å; H98-F112 AromaticContact NE2-CE2 3.26Å; H98-F112 VanDerWaalsContact NE2-CE2 3.26Å; H98-F112 WeakPolarHBondContact NE2-CE2 3.49Å; H98-F112 AromaticContact NE2-CG 3.77Å; H98-F112 AromaticContact NE2-CZ 3.96Å; H98-V227 VanDerWaalsContact CE1-CG1 3.49Å; H98-V227 WeakPolarHBondContact CE1-CG1 3.22Å; H98-V227 VanDerWaalsContact CE1-CG2 3.46Å; H98-V227 WeakPolarHBondContact CE1-CG2 3.08Å; H98-V227 WeakPolarHBondContact ND1-CG1 3.24Å; H98-V227 WeakPolarHBondContact NE2-CG2 3.48Å; H98-V255 HydrophobicContact CB-CG2 3.83Å
99	L	97.6	Very high	96.9	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-38.6	179.2	-68.3	-174.8	0	0	0	112.6	G95 F96 S101 L102 L103 F112 L143 L144 L156 F160	G95-L99 WeakPolarHBondContact O-CB 3.38Å; G95-L99 WeakPolarHBondContact O-CG 3.46Å; G95-L99 PolarHBondContact O-N 3.04Å; G95-L99 VanDerWaalsContact O-N 3.14Å; F96-L99 PolarHBondContact O-N 3.06Å; L99-S101 VanDerWaalsContact C-N 3.3Å; L99-S101 PolarHBondContact O-N 2.87Å; L99-L102 HydrophobicContact CD2-CD1 3.96Å; L99-L102 WeakPolarHBondContact O-CB 3.44Å; L99-L102 PolarHBondContact O-N 3.11Å; L99-L102 VanDerWaalsContact O-N 3.09Å; L99-L103 PolarHBondContact O-N 3.25Å; L99-F112 HydrophobicContact CD2-CE1 4.31Å; L99-L143 HydrophobicContact CD1-CB 4.19Å; L99-L143 HydrophobicContact CD1-CD1 4.46Å; L99-L144 HydrophobicContact CD2-CD2 3.43Å; L99-L144 VanDerWaalsContact CD2-CD2 3.43Å; L99-L144 HydrophobicContact CD2-CG 4.38Å; L99-L156 HydrophobicContact CB-CD1 4.37Å; L99-L156 HydrophobicContact CB-CD2 4.14Å; L99-L156 HydrophobicContact CD1-CD1 4.41Å; L99-F160 HydrophobicContact CD1-CE2 3.8Å; L99-F160 HydrophobicContact CD1-CZ 3.91Å
100	E	97.2	Very high	96.9	Very high	25 Å²	25	35 Å²	35	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-57	-43.8	172.2	-179.6	177	-137.2	0	0	111.1	R81 F96 H98 L102 L103 L153 L156 Y268	R81-E100 IonicContact NH2-OE1 3.04Å; R81-E100 PolarHBondContact NH2-OE1 3.41Å; F96-E100 HydrophobicContact CE1-CB 4.28Å; F96-E100 HydrophobicContact CE1-CG 4.46Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.3Å; F96-E100 VanDerWaalsContact O-CB 3.26Å; F96-E100 WeakPolarHBondContact O-CB 3.38Å; F96-E100 PolarHBondContact O-N 2.64Å; H98-E100 VanDerWaalsContact C-N 3.31Å; H98-E100 PolarHBondContact O-N 3.09Å; E100-L102 VanDerWaalsContact C-N 3.25Å; E100-L102 PolarHBondContact O-N 2.89Å; E100-L103 WeakPolarHBondContact O-CB 3.3Å; E100-L103 PolarHBondContact O-N 3.42Å; E100-L153 HydrophobicContact CB-CD1 4.46Å; E100-L153 HydrophobicContact CG-CD1 3.74Å; E100-L153 WeakPolarHBondContact OE1-CD1 3.34Å; E100-L153 WeakPolarHBondContact OE1-CD2 3.45Å; E100-L156 HydrophobicContact CB-CD2 4.39Å; E100-Y268 WeakPolarHBondContact OE2-CE1 3.43Å; E100-Y268 VanDerWaalsContact OE2-CZ 3.27Å; E100-Y268 PolarHBondContact OE2-OH 3Å
101	S	95.4	Very high	96.9	Very high	27 Å²	27	38 Å²	38	19%	0.189	19%	0.187	C	C	.	.	H	α-helix	trans	-67.5	-21.4	177.2	81	0	0	0	0	114.3	S97 H98 L99 R254	S97-S101 PolarHBondContact O-N 3.03Å; S97-S101 VanDerWaalsContact O-N 3.09Å; H98-S101 WeakPolarHBondContact O-CB 3.36Å; H98-S101 PolarHBondContact O-N 3.36Å; H98-S101 PolarHBondContact O-OG 3.14Å; L99-S101 VanDerWaalsContact C-N 3.3Å; L99-S101 PolarHBondContact O-N 2.87Å; S101-R254 PolarHBondContact O-NH1 3.48Å; S101-R254 VanDerWaalsContact OG-CD 3.29Å; S101-R254 WeakPolarHBondContact OG-CD 3.29Å; S101-R254 WeakPolarHBondContact OG-CG 3.43Å
102	L	96.1	Very high	96.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-81.4	-18.6	178.7	-63.1	-178.6	0	0	0	112.5	H98 L99 E100 E104 D105 E108 L109 F112 L144	H98-L102 WeakPolarHBondContact O-CG 3.33Å; H98-L102 PolarHBondContact O-N 3.34Å; H98-L102 VanDerWaalsContact O-N 3.15Å; L99-L102 HydrophobicContact CD2-CD1 3.96Å; L99-L102 WeakPolarHBondContact O-CB 3.44Å; L99-L102 PolarHBondContact O-N 3.11Å; L99-L102 VanDerWaalsContact O-N 3.09Å; E100-L102 VanDerWaalsContact C-N 3.25Å; E100-L102 PolarHBondContact O-N 2.89Å; L102-E104 PolarHBondContact O-N 2.83Å; L102-D105 CarbonylContact O-C 3.52Å; L102-D105 PolarHBondContact O-N 3.29Å; L102-D105 VanDerWaalsContact O-N 3.12Å; L102-E108 HydrophobicContact CD2-CB 4.03Å; L102-E108 HydrophobicContact CD2-CG 3.54Å; L102-L109 HydrophobicContact CB-CB 4.21Å; L102-L109 HydrophobicContact CB-CD1 4.1Å; L102-L109 HydrophobicContact CD1-CD1 3.87Å; L102-F112 HydrophobicContact CD1-CB 4.05Å; L102-F112 HydrophobicContact CD1-CD1 3.82Å; L102-F112 HydrophobicContact CD1-CE1 4.48Å; L102-F112 HydrophobicContact CD1-CG 3.96Å; L102-L144 HydrophobicContact CD1-CD2 4.39Å
103	L	94.1	Very high	96.8	Very high	29 Å²	29	39.9 Å²	39.9	15%	0.152	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30	178.1	-64.5	-179.9	0	0	0	112.4	L99 E100 C147 P151 L153 L156	L99-L103 PolarHBondContact O-N 3.25Å; E100-L103 WeakPolarHBondContact O-CB 3.3Å; E100-L103 PolarHBondContact O-N 3.42Å; L103-C147 HydrophobicContact CD2-CB 3.97Å; L103-P151 HydrophobicContact CD2-CG 3.94Å; L103-L153 HydrophobicContact CD1-CD1 4.38Å; L103-L156 HydrophobicContact CD1-CD2 4Å; L103-L156 HydrophobicContact CG-CD2 4.4Å
104	E	90.5	Very high	96.7	Very high	190 Å²	190	43 Å²	43	89%	0.888	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.2	-179.4	-59.8	-176.9	172.6	0	0	113.2	L102	L102-E104 PolarHBondContact O-N 2.83Å
105	D	95	Very high	96.7	Very high	47 Å²	47	44.9 Å²	44.9	25%	0.251	23%	0.232	S	C	.	.			trans	-132.8	86.8	-176.9	-168.2	-18.7	0	0	0	112.3	L102 K107 E108 L109 R254	L102-D105 CarbonylContact O-C 3.52Å; L102-D105 PolarHBondContact O-N 3.29Å; L102-D105 VanDerWaalsContact O-N 3.12Å; D105-K107 VanDerWaalsContact C-N 3.26Å; D105-K107 PolarHBondContact O-N 2.82Å; D105-K107 PolarHBondContact OD1-N 3.43Å; D105-K107 VanDerWaalsContact OD1-N 3.14Å; D105-E108 HydrophobicContact CB-CB 4.07Å; D105-E108 VanDerWaalsContact CG-CB 3.46Å; D105-E108 PolarHBondContact O-N 3.49Å; D105-E108 PolarHBondContact OD1-N 3.12Å; D105-E108 WeakPolarHBondContact OD2-CB 3.4Å; D105-L109 WeakPolarHBondContact O-CB 3.28Å; D105-L109 PolarHBondContact O-N 3.44Å; D105-R254 IonicContact OD2-CZ 3.84Å; D105-R254 IonicContact OD2-NH1 3.35Å; D105-R254 IonicContact OD2-NH2 4Å; D105-R254 PolarHBondContact OD2-NH2 2.92Å
106	S	94.6	Very high	96.7	Very high	73 Å²	73	44.8 Å²	44.8	51%	0.51	23%	0.231	S	C	.	.	H	α-helix	trans	-60.9	-31.8	179.4	-178.7	0	0	0	0	113.5	Q110	S106-Q110 WeakPolarHBondContact O-CG 3.42Å; S106-Q110 PolarHBondContact O-N 3.04Å; S106-Q110 VanDerWaalsContact O-N 3.08Å
107	K	96.4	Very high	96.6	Very high	181 Å²	181	47.1 Å²	47.1	79%	0.787	25%	0.25	S	S	*	.	H	α-helix	trans	-70.1	-46.1	-180	-68.6	-177.6	-178.3	175.6	0	110.4	D105 L109 Q110 R111	D105-K107 VanDerWaalsContact C-N 3.26Å; D105-K107 PolarHBondContact O-N 2.82Å; D105-K107 PolarHBondContact OD1-N 3.43Å; D105-K107 VanDerWaalsContact OD1-N 3.14Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-Q110 PolarHBondContact O-N 3.1Å; K107-R111 PolarHBondContact O-N 2.84Å; K107-R111 VanDerWaalsContact O-N 3.09Å
108	E	96.8	Very high	96.6	Very high	41 Å²	41	52.9 Å²	52.9	19%	0.192	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-36.2	177.3	-175.5	62	-178.6	0	0	111.5	L102 D105 Q110 R111 F112	L102-E108 HydrophobicContact CD2-CB 4.03Å; L102-E108 HydrophobicContact CD2-CG 3.54Å; D105-E108 HydrophobicContact CB-CB 4.07Å; D105-E108 VanDerWaalsContact CG-CB 3.46Å; D105-E108 PolarHBondContact O-N 3.49Å; D105-E108 PolarHBondContact OD1-N 3.12Å; D105-E108 WeakPolarHBondContact OD2-CB 3.4Å; E108-Q110 PolarHBondContact O-N 3.17Å; E108-R111 PolarHBondContact O-N 3.23Å; E108-R111 IonicContact OE1-CZ 3.18Å; E108-R111 VanDerWaalsContact OE1-CZ 3.22Å; E108-R111 IonicContact OE1-NE 3.73Å; E108-R111 PolarHBondContact OE1-NE 2.97Å; E108-R111 IonicContact OE1-NH2 2.66Å; E108-R111 PolarHBondContact OE1-NH2 3.4Å; E108-R111 WeakPolarHBondContact OE2-CD 3.39Å; E108-R111 IonicContact OE2-CZ 3.22Å; E108-R111 IonicContact OE2-NE 2.99Å; E108-R111 PolarHBondContact OE2-NE 3.13Å; E108-R111 IonicContact OE2-NH2 2.66Å; E108-F112 WeakPolarHBondContact O-CB 3.49Å; E108-F112 PolarHBondContact O-N 3.18Å
109	L	97.5	Very high	96.6	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-57.6	-46.5	172.7	178	58	0	0	0	112	L102 D105 K107 F112 K113 L144 C147 E148	L102-L109 HydrophobicContact CB-CB 4.21Å; L102-L109 HydrophobicContact CB-CD1 4.1Å; L102-L109 HydrophobicContact CD1-CD1 3.87Å; D105-L109 WeakPolarHBondContact O-CB 3.28Å; D105-L109 PolarHBondContact O-N 3.44Å; K107-L109 VanDerWaalsContact C-N 3.32Å; L109-F112 PolarHBondContact O-N 2.76Å; L109-K113 VanDerWaalsContact O-CB 3.31Å; L109-K113 WeakPolarHBondContact O-CB 3.4Å; L109-K113 PolarHBondContact O-N 2.88Å; L109-L144 HydrophobicContact CD1-CD2 3.87Å; L109-C147 HydrophobicContact CD1-CB 4.08Å; L109-C147 HydrophobicContact CD2-CB 4.1Å; L109-E148 HydrophobicContact CD2-CB 4.33Å; L109-E148 HydrophobicContact CD2-CG 3.7Å; L109-E148 HydrophobicContact CG-CG 4.2Å
110	Q	97.6	Very high	96.6	Very high	97 Å²	97	54.9 Å²	54.9	45%	0.453	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-41.6	177.1	-69.4	-56.3	-55.9	0	0	112.2	S106 K107 E108 A114 E148	S106-Q110 WeakPolarHBondContact O-CG 3.42Å; S106-Q110 PolarHBondContact O-N 3.04Å; S106-Q110 VanDerWaalsContact O-N 3.08Å; K107-Q110 PolarHBondContact O-N 3.1Å; E108-Q110 PolarHBondContact O-N 3.17Å; Q110-A114 PolarHBondContact O-N 2.96Å; Q110-E148 PolarHBondContact NE2-OE1 3.31Å
111	R	97.6	Very high	96.6	Very high	66 Å²	66	58.6 Å²	58.6	25%	0.249	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-48.7	174.9	-172.7	-155.8	66.9	78.1	-6.8	110.9	K107 E108 A114 V115 L225 N226	K107-R111 PolarHBondContact O-N 2.84Å; K107-R111 VanDerWaalsContact O-N 3.09Å; E108-R111 PolarHBondContact O-N 3.23Å; E108-R111 IonicContact OE1-CZ 3.18Å; E108-R111 VanDerWaalsContact OE1-CZ 3.22Å; E108-R111 IonicContact OE1-NE 3.73Å; E108-R111 PolarHBondContact OE1-NE 2.97Å; E108-R111 IonicContact OE1-NH2 2.66Å; E108-R111 PolarHBondContact OE1-NH2 3.4Å; E108-R111 WeakPolarHBondContact OE2-CD 3.39Å; E108-R111 IonicContact OE2-CZ 3.22Å; E108-R111 IonicContact OE2-NE 2.99Å; E108-R111 PolarHBondContact OE2-NE 3.13Å; E108-R111 IonicContact OE2-NH2 2.66Å; R111-A114 PolarHBondContact O-N 3.05Å; R111-V115 PolarHBondContact O-N 3.49Å; R111-V115 VanDerWaalsContact O-N 3.13Å; R111-L225 PolarHBondContact NH1-O 3.35Å; R111-N226 PolarHBondContact NH2-O 2.91Å
112	F	98	Very high	96.7	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-43.6	-178.5	-173.5	-96	0	0	0	111.6	H98 L99 L102 E108 L109 A114 V115 A116 F140 L144 L225 V227	H98-F112 AromaticContact CD2-CD2 3.72Å; H98-F112 AromaticContact CD2-CE2 3.34Å; H98-F112 WeakPolarHBondContact CD2-CE2 3.33Å; H98-F112 AromaticContact CD2-CZ 3.59Å; H98-F112 AromaticContact NE2-CD2 3.16Å; H98-F112 WeakPolarHBondContact NE2-CD2 3.37Å; H98-F112 AromaticContact NE2-CE2 3.26Å; H98-F112 VanDerWaalsContact NE2-CE2 3.26Å; H98-F112 WeakPolarHBondContact NE2-CE2 3.49Å; H98-F112 AromaticContact NE2-CG 3.77Å; H98-F112 AromaticContact NE2-CZ 3.96Å; L99-F112 HydrophobicContact CD2-CE1 4.31Å; L102-F112 HydrophobicContact CD1-CB 4.05Å; L102-F112 HydrophobicContact CD1-CD1 3.82Å; L102-F112 HydrophobicContact CD1-CE1 4.48Å; L102-F112 HydrophobicContact CD1-CG 3.96Å; E108-F112 WeakPolarHBondContact O-CB 3.49Å; E108-F112 PolarHBondContact O-N 3.18Å; L109-F112 PolarHBondContact O-N 2.76Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 3.38Å; F112-V115 PolarHBondContact O-N 3.21Å; F112-V115 VanDerWaalsContact O-N 3.15Å; F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.43Å; F112-F140 AromaticContact CE1-CE1 3.88Å; F112-F140 HydrophobicContact CE1-CE1 3.88Å; F112-F140 AromaticContact CE1-CZ 3.64Å; F112-F140 HydrophobicContact CE1-CZ 3.64Å; F112-F140 HydrophobicContact CZ-CE1 4.21Å; F112-F140 AromaticContact CZ-CZ 3.77Å; F112-F140 HydrophobicContact CZ-CZ 3.77Å; F112-L144 HydrophobicContact CD1-CD1 4.16Å; F112-L144 HydrophobicContact CD1-CD2 3.53Å; F112-L144 HydrophobicContact CD1-CG 4.49Å; F112-L144 HydrophobicContact CE1-CD1 4.19Å; F112-L144 HydrophobicContact CE1-CD2 3.78Å; F112-L225 HydrophobicContact CE2-CB 3.91Å; F112-L225 HydrophobicContact CE2-CD1 4.01Å; F112-L225 HydrophobicContact CE2-CD2 3.95Å; F112-L225 HydrophobicContact CE2-CG 4.18Å; F112-L225 HydrophobicContact CZ-CD1 4.05Å; F112-L225 HydrophobicContact CZ-CD2 4.08Å; F112-V227 HydrophobicContact CD2-CG2 4Å; F112-V227 HydrophobicContact CE2-CG2 3.86Å
113	K	97.9	Very high	96.8	Very high	39 Å²	39	59.9 Å²	59.9	17%	0.17	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-40.2	174.9	-172.1	178	-179.5	-179.1	0	112.3	L109 A116 A117 M141 L144 E148	L109-K113 VanDerWaalsContact O-CB 3.31Å; L109-K113 WeakPolarHBondContact O-CB 3.4Å; L109-K113 PolarHBondContact O-N 2.88Å; K113-A116 PolarHBondContact O-N 2.93Å; K113-A117 VanDerWaalsContact O-CB 3.28Å; K113-A117 WeakPolarHBondContact O-CB 3.48Å; K113-A117 PolarHBondContact O-N 3.31Å; K113-M141 HydrophobicContact CD-CE 4.46Å; K113-M141 HydrophobicContact CG-CE 3.7Å; K113-L144 HydrophobicContact CB-CD1 4.46Å; K113-L144 HydrophobicContact CG-CB 4.46Å; K113-L144 HydrophobicContact CG-CD1 4.45Å; K113-E148 WeakPolarHBondContact CD-OE1 2.96Å; K113-E148 IonicContact NZ-OE1 3.17Å; K113-E148 PolarHBondContact NZ-OE1 2.58Å; K113-E148 IonicContact NZ-OE2 2.84Å; K113-E148 PolarHBondContact NZ-OE2 3.49Å
114	A	97.9	Very high	97	Very high	64 Å²	64	60.3 Å²	60.3	53%	0.529	31%	0.313	S	S	.	.	H	α-helix	trans	-64.5	-40.4	175.6	0	0	0	0	0	112.5	Q110 R111 F112 K118	Q110-A114 PolarHBondContact O-N 2.96Å; R111-A114 PolarHBondContact O-N 3.05Å; F112-A114 VanDerWaalsContact C-N 3.31Å; F112-A114 PolarHBondContact O-N 3.38Å; A114-K118 WeakPolarHBondContact O-CB 3.25Å; A114-K118 PolarHBondContact O-N 3.03Å; A114-K118 VanDerWaalsContact O-N 3.13Å
115	V	97.8	Very high	97.4	Very high	43 Å²	43	56.9 Å²	56.9	26%	0.261	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-47.7	174.5	173.4	0	0	0	0	110.8	R111 F112 A117 K118 S119 L225	R111-V115 PolarHBondContact O-N 3.49Å; R111-V115 VanDerWaalsContact O-N 3.13Å; F112-V115 PolarHBondContact O-N 3.21Å; F112-V115 VanDerWaalsContact O-N 3.15Å; V115-A117 PolarHBondContact O-N 3.01Å; V115-K118 PolarHBondContact O-N 3.15Å; V115-S119 PolarHBondContact O-N 3.22Å; V115-L225 HydrophobicContact CG1-CD2 4.32Å
116	A	97.3	Very high	97.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-35.1	178.6	0	0	0	0	0	113.4	F112 K113 S119 H137 F140 M141 L144	F112-A116 WeakPolarHBondContact O-CB 3.31Å; F112-A116 PolarHBondContact O-N 3.43Å; K113-A116 PolarHBondContact O-N 2.93Å; A116-S119 WeakPolarHBondContact CA-OG 3.46Å; A116-S119 PolarHBondContact O-OG 3.1Å; A116-H137 PolarHBondContact O-NE2 3.45Å; A116-F140 HydrophobicContact CB-CD1 4.05Å; A116-F140 HydrophobicContact CB-CE1 3.72Å; A116-M141 HydrophobicContact CB-SD 3.97Å; A116-L144 HydrophobicContact CB-CD1 3.72Å
117	A	97.3	Very high	97.5	Very high	48 Å²	48	57.3 Å²	57.3	40%	0.397	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-42.7	175.1	0	0	0	0	0	111.2	K113 V115 M141	K113-A117 VanDerWaalsContact O-CB 3.28Å; K113-A117 WeakPolarHBondContact O-CB 3.48Å; K113-A117 PolarHBondContact O-N 3.31Å; V115-A117 PolarHBondContact O-N 3.01Å; A117-M141 HydrophobicContact CB-CE 4.04Å
118	K	97.9	Very high	97.6	Very high	129 Å²	129	50 Å²	50	56%	0.561	28%	0.279	S	S	*	.	H	α-helix	trans	-69	-33.6	178.5	-173.2	-175.7	171.6	-168.5	0	112.3	A114 V115 K120 L121 D122	A114-K118 WeakPolarHBondContact O-CB 3.25Å; A114-K118 PolarHBondContact O-N 3.03Å; A114-K118 VanDerWaalsContact O-N 3.13Å; V115-K118 PolarHBondContact O-N 3.15Å; K118-K120 VanDerWaalsContact C-N 3.26Å; K118-K120 PolarHBondContact O-N 2.96Å; K118-L121 PolarHBondContact O-N 3.2Å; K118-D122 WeakPolarHBondContact CE-OD1 3.46Å; K118-D122 WeakPolarHBondContact CE-OD2 3.33Å; K118-D122 PolarHBondContact O-N 2.6Å; K118-D122 VanDerWaalsContact O-N 3.11Å
119	S	97.9	Very high	97.6	Very high	11 Å²	11	51.6 Å²	51.6	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-62.8	-28	-172	59.7	0	0	0	0	114.3	V115 A116 D122 L123 Y172 L176	V115-S119 PolarHBondContact O-N 3.22Å; A116-S119 WeakPolarHBondContact CA-OG 3.46Å; A116-S119 PolarHBondContact O-OG 3.1Å; S119-D122 PolarHBondContact O-N 3.02Å; S119-L123 WeakPolarHBondContact O-CG 3.35Å; S119-L123 PolarHBondContact O-N 3.38Å; S119-Y172 PolarHBondContact OG-OH 2.83Å; S119-L176 WeakPolarHBondContact OG-CD2 3.32Å
120	K	98.1	Very high	97.5	Very high	36 Å²	36	56 Å²	56	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-58.7	-51.9	171.6	-176.5	175.9	75.2	168.5	0	110.9	K118 D122 L123 V124 I133 E134 H137 Y172	K118-K120 VanDerWaalsContact C-N 3.26Å; K118-K120 PolarHBondContact O-N 2.96Å; K120-D122 VanDerWaalsContact C-N 3.3Å; K120-D122 PolarHBondContact O-N 3.34Å; K120-L123 PolarHBondContact O-N 2.85Å; K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 2.87Å; K120-I133 HydrophobicContact CG-CD1 4.09Å; K120-I133 HydrophobicContact CG-CG1 4.46Å; K120-E134 IonicContact NZ-OE1 3.79Å; K120-E134 PolarHBondContact NZ-OE1 3.45Å; K120-E134 VanDerWaalsContact NZ-OE1 3.12Å; K120-H137 HydrophobicContact CB-CB 4.48Å; K120-H137 HydrophobicContact CD-CB 4.1Å; K120-H137 WeakPolarHBondContact CD-ND1 3.32Å; K120-H137 HydrophobicContact CG-CB 4.46Å; K120-Y172 PolarHBondContact N-OH 3.27Å
121	L	97.5	Very high	97.4	Very high	102 Å²	102	58.8 Å²	58.8	53%	0.534	32%	0.323	S	S	.	.	H	α-helix	trans	-62.7	-39.7	-179.9	-179.5	61.9	0	0	0	111.2	K118 L123 V124 N125	K118-L121 PolarHBondContact O-N 3.2Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.17Å; L121-V124 PolarHBondContact O-N 3.47Å; L121-N125 WeakPolarHBondContact O-CB 3.23Å; L121-N125 VanDerWaalsContact O-CG 3.25Å; L121-N125 PolarHBondContact O-N 3.19Å; L121-N125 PolarHBondContact O-ND2 2.79Å
122	D	97.7	Very high	97.2	Very high	51 Å²	51	58.7 Å²	58.7	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-36.8	177.3	-69.7	-17.7	0	0	0	112.1	K118 S119 K120 Q126	K118-D122 WeakPolarHBondContact CE-OD1 3.46Å; K118-D122 WeakPolarHBondContact CE-OD2 3.33Å; K118-D122 PolarHBondContact O-N 2.6Å; K118-D122 VanDerWaalsContact O-N 3.11Å; S119-D122 PolarHBondContact O-N 3.02Å; K120-D122 VanDerWaalsContact C-N 3.3Å; K120-D122 PolarHBondContact O-N 3.34Å; D122-Q126 VanDerWaalsContact O-CG 3.23Å; D122-Q126 WeakPolarHBondContact O-CG 3.49Å; D122-Q126 PolarHBondContact O-N 2.9Å; D122-Q126 PolarHBondContact O-NE2 3.05Å
123	L	98.3	Very high	97.1	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.026	33%	0.33	C	S	.	.	H	α-helix	trans	-68.6	-45.5	172.9	-71.2	172.5	0	0	0	111.6	S119 K120 L121 N125 Q126 G127 F128 I133 Y172 L175 L176	S119-L123 WeakPolarHBondContact O-CG 3.35Å; S119-L123 PolarHBondContact O-N 3.38Å; K120-L123 PolarHBondContact O-N 2.85Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.17Å; L123-N125 VanDerWaalsContact C-N 3.3Å; L123-N125 PolarHBondContact O-N 2.94Å; L123-Q126 CarbonylContact O-C 3.51Å; L123-Q126 WeakPolarHBondContact O-CA 3.5Å; L123-Q126 WeakPolarHBondContact O-CB 3.5Å; L123-Q126 PolarHBondContact O-N 2.88Å; L123-G127 PolarHBondContact O-N 3.44Å; L123-F128 HydrophobicContact CB-CB 4.19Å; L123-F128 HydrophobicContact CB-CD2 4.02Å; L123-F128 HydrophobicContact CB-CG 4.23Å; L123-F128 HydrophobicContact CD2-CD2 3.83Å; L123-F128 HydrophobicContact CD2-CE2 3.72Å; L123-F128 HydrophobicContact CD2-CG 4.39Å; L123-F128 HydrophobicContact CD2-CZ 4.21Å; L123-F128 WeakPolarHBondContact O-CB 3.37Å; L123-F128 VanDerWaalsContact O-CD2 3.3Å; L123-F128 WeakPolarHBondContact O-CD2 3.33Å; L123-F128 PolarHBondContact O-N 3.48Å; L123-F128 VanDerWaalsContact O-N 3.16Å; L123-I133 HydrophobicContact CB-CD1 3.83Å; L123-I133 HydrophobicContact CD1-CD1 4.19Å; L123-Y172 HydrophobicContact CD1-CE2 4.19Å; L123-L175 HydrophobicContact CD1-CB 4.24Å; L123-L175 WeakPolarHBondContact CD2-O 3.28Å; L123-L176 HydrophobicContact CD1-CD2 4.05Å
124	V	98.1	Very high	97.1	Very high	37 Å²	37	60.4 Å²	60.4	22%	0.224	34%	0.338	C	S	.	.	H	α-helix	trans	-59.3	-43.6	177.8	174.1	0	0	0	0	111.3	K120 L121 Q126 G127 F128 E130 I133	K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 2.87Å; L121-V124 PolarHBondContact O-N 3.47Å; V124-Q126 PolarHBondContact O-N 3.15Å; V124-G127 PolarHBondContact O-N 3.37Å; V124-F128 WeakPolarHBondContact CA-O 3.16Å; V124-E130 HydrophobicContact CG1-CB 4.34Å; V124-E130 HydrophobicContact CG2-CB 3.71Å; V124-E130 HydrophobicContact CG2-CG 3.96Å; V124-I133 HydrophobicContact CG2-CD1 4.02Å
125	N	97.7	Very high	97.1	Very high	119 Å²	119	61.6 Å²	61.6	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-64.7	-22	176.4	-71.8	-25.8	0	0	0	113.4	L121 L123 G127	L121-N125 WeakPolarHBondContact O-CB 3.23Å; L121-N125 VanDerWaalsContact O-CG 3.25Å; L121-N125 PolarHBondContact O-N 3.19Å; L121-N125 PolarHBondContact O-ND2 2.79Å; L123-N125 VanDerWaalsContact C-N 3.3Å; L123-N125 PolarHBondContact O-N 2.94Å; N125-G127 VanDerWaalsContact C-N 3.3Å
126	Q	96.4	Very high	97.2	Very high	64 Å²	64	61.7 Å²	61.7	30%	0.299	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-1.5	173.1	-71.7	166.5	42.8	0	0	113.1	D122 L123 V124 F128 G179 R183	D122-Q126 VanDerWaalsContact O-CG 3.23Å; D122-Q126 WeakPolarHBondContact O-CG 3.49Å; D122-Q126 PolarHBondContact O-N 2.9Å; D122-Q126 PolarHBondContact O-NE2 3.05Å; L123-Q126 CarbonylContact O-C 3.51Å; L123-Q126 WeakPolarHBondContact O-CA 3.5Å; L123-Q126 WeakPolarHBondContact O-CB 3.5Å; L123-Q126 PolarHBondContact O-N 2.88Å; V124-Q126 PolarHBondContact O-N 3.15Å; Q126-F128 HydrophobicContact CB-CD2 4.25Å; Q126-F128 HydrophobicContact CB-CE2 4.42Å; Q126-G179 PolarHBondContact OE1-O 3.43Å; Q126-R183 VanDerWaalsContact NE2-NH1 3.13Å
127	G	96.7	Very high	97.2	Very high	65 Å²	65	62.4 Å²	62.4	67%	0.67	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	98	10.3	176.1	0	0	0	0	0	115	L123 V124 N125	L123-G127 PolarHBondContact O-N 3.44Å; V124-G127 PolarHBondContact O-N 3.37Å; N125-G127 VanDerWaalsContact C-N 3.3Å
128	F	97.1	Very high	97.3	Very high	28 Å²	28	63.1 Å²	63.1	12%	0.123	33%	0.333	C	S	.	.			trans	-70.4	135.6	167.2	-69.6	-97.6	0	0	0	109.7	L123 V124 Q126 E130 I133 L175	L123-F128 HydrophobicContact CB-CB 4.19Å; L123-F128 HydrophobicContact CB-CD2 4.02Å; L123-F128 HydrophobicContact CB-CG 4.23Å; L123-F128 HydrophobicContact CD2-CD2 3.83Å; L123-F128 HydrophobicContact CD2-CE2 3.72Å; L123-F128 HydrophobicContact CD2-CG 4.39Å; L123-F128 HydrophobicContact CD2-CZ 4.21Å; L123-F128 WeakPolarHBondContact O-CB 3.37Å; L123-F128 VanDerWaalsContact O-CD2 3.3Å; L123-F128 WeakPolarHBondContact O-CD2 3.33Å; L123-F128 PolarHBondContact O-N 3.48Å; L123-F128 VanDerWaalsContact O-N 3.16Å; V124-F128 WeakPolarHBondContact CA-O 3.16Å; Q126-F128 HydrophobicContact CB-CD2 4.25Å; Q126-F128 HydrophobicContact CB-CE2 4.42Å; F128-E130 PolarHBondContact O-N 2.82Å; F128-I133 HydrophobicContact CB-CD1 4.32Å; F128-I133 HydrophobicContact CB-CG2 4.34Å; F128-L175 HydrophobicContact CD1-CD2 4.02Å; F128-L175 HydrophobicContact CE1-CD2 3.75Å
129	T	96.7	Very high	97.3	Very high	73 Å²	73	58.3 Å²	58.3	45%	0.448	32%	0.315	S	S	.	.			trans	-72.5	114.6	-176.5	-53.8	0	0	0	0	110.7	F131 T132 I133	T129-F131 HydrophobicContact CG2-CD1 3.4Å; T129-F131 VanDerWaalsContact CG2-CD1 3.4Å; T129-F131 HydrophobicContact CG2-CE1 3.09Å; T129-F131 HydrophobicContact CG2-CG 4.29Å; T129-F131 HydrophobicContact CG2-CZ 3.77Å; T129-F131 PolarHBondContact O-N 2.98Å; T129-T132 HydrophobicContact CG2-CG2 3.94Å; T129-T132 PolarHBondContact O-N 2.96Å; T129-T132 PolarHBondContact O-OG1 3.33Å; T129-I133 PolarHBondContact O-N 3.29Å
130	E	96.4	Very high	97.3	Very high	99 Å²	99	57.9 Å²	57.9	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-51	-52.9	-171	-176.9	169.5	-154.7	0	0	114	V124 F128 T132 I133 E134	V124-E130 HydrophobicContact CG1-CB 4.34Å; V124-E130 HydrophobicContact CG2-CB 3.71Å; V124-E130 HydrophobicContact CG2-CG 3.96Å; F128-E130 PolarHBondContact O-N 2.82Å; E130-T132 PolarHBondContact O-N 2.96Å; E130-I133 WeakPolarHBondContact O-CG1 3.46Å; E130-I133 PolarHBondContact O-N 2.84Å; E130-E134 WeakPolarHBondContact O-CB 3.28Å; E130-E134 PolarHBondContact O-N 3.28Å
131	F	94.4	Very high	97.3	Very high	154 Å²	154	57.2 Å²	57.2	68%	0.675	31%	0.309	S	S	*	.	H	α-helix	trans	-63	-19.6	-177.5	75.3	-98	0	0	0	113.5	T129	T129-F131 HydrophobicContact CG2-CD1 3.4Å; T129-F131 VanDerWaalsContact CG2-CD1 3.4Å; T129-F131 HydrophobicContact CG2-CE1 3.09Å; T129-F131 HydrophobicContact CG2-CG 4.29Å; T129-F131 HydrophobicContact CG2-CZ 3.77Å; T129-F131 PolarHBondContact O-N 2.98Å
132	T	94	Very high	97.3	Very high	65 Å²	65	57.2 Å²	57.2	40%	0.399	31%	0.31	S	S	.	.	H	α-helix	trans	-85.1	-23	178.6	66.6	0	0	0	0	112.8	T129 E130 F136	T129-T132 HydrophobicContact CG2-CG2 3.94Å; T129-T132 PolarHBondContact O-N 2.96Å; T129-T132 PolarHBondContact O-OG1 3.33Å; E130-T132 PolarHBondContact O-N 2.96Å; T132-F136 WeakPolarHBondContact O-CD2 3.42Å; T132-F136 VanDerWaalsContact O-CE2 3.28Å; T132-F136 WeakPolarHBondContact O-CE2 3.26Å
133	I	96.9	Very high	97.3	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-104.2	-13	-177.7	70.5	168.8	0	0	0	112.9	K120 L123 V124 F128 T129 E130 F136 H137 L175	K120-I133 HydrophobicContact CG-CD1 4.09Å; K120-I133 HydrophobicContact CG-CG1 4.46Å; L123-I133 HydrophobicContact CB-CD1 3.83Å; L123-I133 HydrophobicContact CD1-CD1 4.19Å; V124-I133 HydrophobicContact CG2-CD1 4.02Å; F128-I133 HydrophobicContact CB-CD1 4.32Å; F128-I133 HydrophobicContact CB-CG2 4.34Å; T129-I133 PolarHBondContact O-N 3.29Å; E130-I133 WeakPolarHBondContact O-CG1 3.46Å; E130-I133 PolarHBondContact O-N 2.84Å; I133-F136 PolarHBondContact O-N 2.99Å; I133-H137 WeakPolarHBondContact O-CB 3.35Å; I133-H137 PolarHBondContact O-N 2.91Å; I133-L175 HydrophobicContact CB-CD1 4.19Å; I133-L175 HydrophobicContact CG2-CD1 3.69Å
134	E	97.6	Very high	97.2	Very high	72 Å²	72	54.9 Å²	54.9	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-60.7	-46.8	-174.6	179.1	156.7	-111.8	0	0	112.6	K120 E130 F136 H137 N138	K120-E134 IonicContact NZ-OE1 3.79Å; K120-E134 PolarHBondContact NZ-OE1 3.45Å; K120-E134 VanDerWaalsContact NZ-OE1 3.12Å; E130-E134 WeakPolarHBondContact O-CB 3.28Å; E130-E134 PolarHBondContact O-N 3.28Å; E134-F136 VanDerWaalsContact C-N 3.31Å; E134-F136 PolarHBondContact O-N 3.15Å; E134-H137 PolarHBondContact O-N 3.22Å; E134-N138 WeakPolarHBondContact CG-ND2 3.33Å; E134-N138 WeakPolarHBondContact O-CB 3.43Å; E134-N138 PolarHBondContact O-N 3.42Å; E134-N138 PolarHBondContact O-ND2 3.01Å; E134-N138 PolarHBondContact O-OD1 2.64Å
135	D	97.9	Very high	97.1	Very high	89 Å²	89	56.9 Å²	56.9	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-64.7	-37	-179	-65.9	-25.5	0	0	0	112.4	T139 Y168	D135-T139 WeakPolarHBondContact O-CB 3.45Å; D135-T139 PolarHBondContact O-N 2.98Å; D135-T139 PolarHBondContact O-OG1 3.44Å; D135-Y168 HydrophobicContact CB-CE1 3.94Å
136	F	98.4	Very high	97	Very high	45 Å²	45	52.5 Å²	52.5	20%	0.197	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-42.1	176.1	-55.9	-56.4	0	0	0	111.4	T132 I133 E134 F140 Y168 V171 Y172 L175	T132-F136 WeakPolarHBondContact O-CD2 3.42Å; T132-F136 VanDerWaalsContact O-CE2 3.28Å; T132-F136 WeakPolarHBondContact O-CE2 3.26Å; I133-F136 PolarHBondContact O-N 2.99Å; E134-F136 VanDerWaalsContact C-N 3.31Å; E134-F136 PolarHBondContact O-N 3.15Å; F136-F140 PolarHBondContact O-N 2.97Å; F136-F140 VanDerWaalsContact O-N 3.11Å; F136-Y168 AromaticContact CD1-CD1 3.44Å; F136-Y168 HydrophobicContact CD1-CD1 3.44Å; F136-Y168 VanDerWaalsContact CD1-CD1 3.44Å; F136-Y168 HydrophobicContact CD1-CD2 4.12Å; F136-Y168 AromaticContact CD1-CE1 3.92Å; F136-Y168 HydrophobicContact CD1-CE1 3.92Å; F136-Y168 AromaticContact CD1-CG 3.55Å; F136-Y168 HydrophobicContact CD1-CG 3.55Å; F136-Y168 AromaticContact CE1-CD1 3.8Å; F136-Y168 HydrophobicContact CE1-CD1 3.8Å; F136-Y168 AromaticContact CE1-CD2 3.87Å; F136-Y168 HydrophobicContact CE1-CD2 3.87Å; F136-Y168 AromaticContact CE1-CE1 3.88Å; F136-Y168 HydrophobicContact CE1-CE1 3.88Å; F136-Y168 AromaticContact CE1-CE2 3.96Å; F136-Y168 HydrophobicContact CE1-CE2 3.96Å; F136-Y168 AromaticContact CE1-CG 3.79Å; F136-Y168 HydrophobicContact CE1-CG 3.79Å; F136-Y168 AromaticContact CE1-CZ 3.96Å; F136-Y168 HydrophobicContact CG-CD1 4.46Å; F136-V171 HydrophobicContact CD1-CB 3.87Å; F136-V171 HydrophobicContact CD1-CG1 3.86Å; F136-V171 HydrophobicContact CD1-CG2 4.5Å; F136-V171 HydrophobicContact CD2-CB 4.47Å; F136-V171 HydrophobicContact CD2-CG1 3.59Å; F136-V171 HydrophobicContact CE1-CB 3.95Å; F136-V171 HydrophobicContact CE1-CG1 3.84Å; F136-V171 HydrophobicContact CE1-CG2 4.14Å; F136-V171 HydrophobicContact CE2-CG1 3.58Å; F136-V171 HydrophobicContact CG-CB 4.16Å; F136-V171 HydrophobicContact CG-CG1 3.76Å; F136-V171 HydrophobicContact CZ-CB 4.32Å; F136-V171 HydrophobicContact CZ-CG1 3.71Å; F136-V171 HydrophobicContact CZ-CG2 4.45Å; F136-Y172 HydrophobicContact CB-CD2 4.04Å; F136-Y172 HydrophobicContact CB-CG 4.41Å; F136-L175 HydrophobicContact CD2-CD1 4.28Å
137	H	98.6	Very high	96.9	Very high	16 Å²	16	49.4 Å²	49.4	7%	0.074	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-47.9	174.5	177.1	-115.2	0	0	0	111.6	A116 K120 I133 E134 T139 F140 M141 Y172	A116-H137 PolarHBondContact O-NE2 3.45Å; K120-H137 HydrophobicContact CB-CB 4.48Å; K120-H137 HydrophobicContact CD-CB 4.1Å; K120-H137 WeakPolarHBondContact CD-ND1 3.32Å; K120-H137 HydrophobicContact CG-CB 4.46Å; I133-H137 WeakPolarHBondContact O-CB 3.35Å; I133-H137 PolarHBondContact O-N 2.91Å; E134-H137 PolarHBondContact O-N 3.22Å; H137-T139 VanDerWaalsContact C-N 3.34Å; H137-T139 PolarHBondContact O-N 3.3Å; H137-F140 WeakPolarHBondContact O-CB 3.44Å; H137-F140 PolarHBondContact O-N 2.92Å; H137-F140 VanDerWaalsContact O-N 3.1Å; H137-M141 VanDerWaalsContact CE1-CG 3.5Å; H137-M141 WeakPolarHBondContact CE1-CG 3.42Å; H137-M141 WeakPolarHBondContact NE2-CG 3.41Å; H137-M141 WeakPolarHBondContact O-CG 3.2Å; H137-M141 PolarHBondContact O-N 2.91Å; H137-Y172 HydrophobicContact CB-CD2 4.18Å; H137-Y172 HydrophobicContact CB-CE2 3.66Å; H137-Y172 AromaticContact CD2-CE1 3.92Å; H137-Y172 AromaticContact CD2-CZ 3.45Å; H137-Y172 VanDerWaalsContact CD2-CZ 3.45Å; H137-Y172 PolarHBondContact CD2-OH 3.23Å
138	N	98.4	Very high	96.8	Very high	63 Å²	63	49.5 Å²	49.5	34%	0.337	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-46.8	179.6	-68.8	-18.6	0	0	0	110.8	E134 F140 M141 D142	E134-N138 WeakPolarHBondContact CG-ND2 3.33Å; E134-N138 WeakPolarHBondContact O-CB 3.43Å; E134-N138 PolarHBondContact O-N 3.42Å; E134-N138 PolarHBondContact O-ND2 3.01Å; E134-N138 PolarHBondContact O-OD1 2.64Å; N138-F140 VanDerWaalsContact C-N 3.27Å; N138-F140 PolarHBondContact O-N 3.45Å; N138-M141 PolarHBondContact O-N 3.15Å; N138-M141 VanDerWaalsContact O-N 3.11Å; N138-D142 VanDerWaalsContact O-CG 3.28Å; N138-D142 PolarHBondContact O-N 3.19Å
139	T	98.4	Very high	96.6	Very high	28 Å²	28	55.8 Å²	55.8	17%	0.172	28%	0.276	C	S	.	.	H	α-helix	trans	-57.9	-40.1	175.7	-56.1	0	0	0	0	112.1	D135 H137 L143 V165 Y168	D135-T139 WeakPolarHBondContact O-CB 3.45Å; D135-T139 PolarHBondContact O-N 2.98Å; D135-T139 PolarHBondContact O-OG1 3.44Å; H137-T139 VanDerWaalsContact C-N 3.34Å; H137-T139 PolarHBondContact O-N 3.3Å; T139-L143 PolarHBondContact O-N 3.29Å; T139-V165 HydrophobicContact CG2-CG1 4.13Å; T139-Y168 WeakPolarHBondContact OG1-CD1 3.42Å
140	F	98.3	Very high	96.2	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.009	29%	0.286	C	S	.	.	H	α-helix	trans	-68.1	-40.5	176.9	-168.6	-114.6	0	0	0	112.4	F112 A116 F136 H137 N138 L143 L144 I169 Y172 L173	F112-F140 AromaticContact CE1-CE1 3.88Å; F112-F140 HydrophobicContact CE1-CE1 3.88Å; F112-F140 AromaticContact CE1-CZ 3.64Å; F112-F140 HydrophobicContact CE1-CZ 3.64Å; F112-F140 HydrophobicContact CZ-CE1 4.21Å; F112-F140 AromaticContact CZ-CZ 3.77Å; F112-F140 HydrophobicContact CZ-CZ 3.77Å; A116-F140 HydrophobicContact CB-CD1 4.05Å; A116-F140 HydrophobicContact CB-CE1 3.72Å; F136-F140 PolarHBondContact O-N 2.97Å; F136-F140 VanDerWaalsContact O-N 3.11Å; H137-F140 WeakPolarHBondContact O-CB 3.44Å; H137-F140 PolarHBondContact O-N 2.92Å; H137-F140 VanDerWaalsContact O-N 3.1Å; N138-F140 VanDerWaalsContact C-N 3.27Å; N138-F140 PolarHBondContact O-N 3.45Å; F140-L143 PolarHBondContact O-N 2.86Å; F140-L144 HydrophobicContact CD1-CD1 4.16Å; F140-L144 HydrophobicContact CE1-CD1 4.04Å; F140-L144 PolarHBondContact O-N 3.16Å; F140-I169 HydrophobicContact CD2-CG2 4.07Å; F140-I169 HydrophobicContact CE2-CG2 4.22Å; F140-Y172 HydrophobicContact CB-CD1 3.77Å; F140-Y172 HydrophobicContact CB-CE1 4.35Å; F140-Y172 HydrophobicContact CB-CG 4.35Å; F140-Y172 AromaticContact CD1-CD1 3.67Å; F140-Y172 HydrophobicContact CD1-CD1 3.67Å; F140-Y172 AromaticContact CD1-CE1 3.76Å; F140-Y172 HydrophobicContact CD1-CE1 3.76Å; F140-Y172 HydrophobicContact CD2-CD1 4.42Å; F140-Y172 HydrophobicContact CE1-CD1 4.34Å; F140-Y172 HydrophobicContact CE1-CE1 4.37Å; F140-Y172 AromaticContact CG-CD1 3.7Å; F140-Y172 HydrophobicContact CG-CD1 3.7Å; F140-Y172 HydrophobicContact CG-CE1 4.24Å; F140-L173 HydrophobicContact CE2-CD2 4.22Å; F140-L173 HydrophobicContact CZ-CD2 4.26Å
141	M	98.4	Very high	95.9	Very high	22 Å²	22	55 Å²	55	11%	0.108	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-39.8	176.6	-66.1	-56.4	-60.6	0	0	112.2	K113 A116 A117 H137 N138 L143 L144 E145	K113-M141 HydrophobicContact CD-CE 4.46Å; K113-M141 HydrophobicContact CG-CE 3.7Å; A116-M141 HydrophobicContact CB-SD 3.97Å; A117-M141 HydrophobicContact CB-CE 4.04Å; H137-M141 VanDerWaalsContact CE1-CG 3.5Å; H137-M141 WeakPolarHBondContact CE1-CG 3.42Å; H137-M141 WeakPolarHBondContact NE2-CG 3.41Å; H137-M141 WeakPolarHBondContact O-CG 3.2Å; H137-M141 PolarHBondContact O-N 2.91Å; N138-M141 PolarHBondContact O-N 3.15Å; N138-M141 VanDerWaalsContact O-N 3.11Å; M141-L143 PolarHBondContact O-N 2.9Å; M141-L144 WeakPolarHBondContact O-CB 3.45Å; M141-L144 PolarHBondContact O-N 3.08Å; M141-L144 HydrophobicContact SD-CD1 4.02Å; M141-E145 WeakPolarHBondContact O-CG 3.36Å; M141-E145 PolarHBondContact O-N 3.15Å
142	D	97.8	Very high	95.7	Very high	101 Å²	101	50 Å²	50	54%	0.54	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-37.2	176.1	-73.1	-16.7	0	0	0	111.5	N138 E145 L146	N138-D142 VanDerWaalsContact O-CG 3.28Å; N138-D142 PolarHBondContact O-N 3.19Å; D142-E145 PolarHBondContact O-N 3.43Å; D142-L146 WeakPolarHBondContact O-CB 3.39Å; D142-L146 PolarHBondContact O-N 2.87Å
143	L	96.4	Very high	95.6	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-70.6	-33.6	174.2	-81.1	178.8	0	0	0	113.9	L99 T139 F140 M141 L146 C147 L156 F160 V165 I169	L99-L143 HydrophobicContact CD1-CB 4.19Å; L99-L143 HydrophobicContact CD1-CD1 4.46Å; T139-L143 PolarHBondContact O-N 3.29Å; F140-L143 PolarHBondContact O-N 2.86Å; M141-L143 PolarHBondContact O-N 2.9Å; L143-L146 HydrophobicContact CD2-CD2 3.96Å; L143-L146 WeakPolarHBondContact O-CB 3.47Å; L143-L146 PolarHBondContact O-N 2.96Å; L143-C147 PolarHBondContact O-N 3.08Å; L143-C147 PolarHBondContact O-SG 2.98Å; L143-L156 HydrophobicContact CD2-CD1 4.33Å; L143-F160 HydrophobicContact CD1-CE2 4.03Å; L143-V165 HydrophobicContact CD1-CG1 4.04Å; L143-I169 HydrophobicContact CD1-CD1 3.09Å; L143-I169 HydrophobicContact CD1-CG1 3.62Å
144	L	97	Very high	95.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.4	-40	173	-70.3	169.1	0	0	0	111.2	L99 L102 L109 F112 K113 A116 F140 M141 L146 C147 E148	L99-L144 HydrophobicContact CD2-CD2 3.43Å; L99-L144 VanDerWaalsContact CD2-CD2 3.43Å; L99-L144 HydrophobicContact CD2-CG 4.38Å; L102-L144 HydrophobicContact CD1-CD2 4.39Å; L109-L144 HydrophobicContact CD1-CD2 3.87Å; F112-L144 HydrophobicContact CD1-CD1 4.16Å; F112-L144 HydrophobicContact CD1-CD2 3.53Å; F112-L144 HydrophobicContact CD1-CG 4.49Å; F112-L144 HydrophobicContact CE1-CD1 4.19Å; F112-L144 HydrophobicContact CE1-CD2 3.78Å; K113-L144 HydrophobicContact CB-CD1 4.46Å; K113-L144 HydrophobicContact CG-CB 4.46Å; K113-L144 HydrophobicContact CG-CD1 4.45Å; A116-L144 HydrophobicContact CB-CD1 3.72Å; F140-L144 HydrophobicContact CD1-CD1 4.16Å; F140-L144 HydrophobicContact CE1-CD1 4.04Å; F140-L144 PolarHBondContact O-N 3.16Å; M141-L144 WeakPolarHBondContact O-CB 3.45Å; M141-L144 PolarHBondContact O-N 3.08Å; M141-L144 HydrophobicContact SD-CD1 4.02Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-C147 WeakPolarHBondContact O-CB 3.24Å; L144-C147 PolarHBondContact O-N 2.86Å; L144-E148 PolarHBondContact O-N 3.15Å
145	E	96.5	Very high	95.4	Very high	80 Å²	80	56.7 Å²	56.7	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-35	172.5	-69.8	-172.9	-179.4	0	0	112.5	M141 D142 E148 K149	M141-E145 WeakPolarHBondContact O-CG 3.36Å; M141-E145 PolarHBondContact O-N 3.15Å; D142-E145 PolarHBondContact O-N 3.43Å; E145-E148 PolarHBondContact O-N 3.11Å; E145-K149 WeakPolarHBondContact O-CG 3.37Å; E145-K149 PolarHBondContact O-N 2.91Å
146	L	94.9	Very high	95.3	Very high	26 Å²	26	52.5 Å²	52.5	14%	0.136	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-52.5	169.3	178.9	62.7	0	0	0	109.3	D142 L143 L144 E148 K149 P151 E155	D142-L146 WeakPolarHBondContact O-CB 3.39Å; D142-L146 PolarHBondContact O-N 2.87Å; L143-L146 HydrophobicContact CD2-CD2 3.96Å; L143-L146 WeakPolarHBondContact O-CB 3.47Å; L143-L146 PolarHBondContact O-N 2.96Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L146-E148 VanDerWaalsContact C-N 3.26Å; L146-E148 PolarHBondContact O-N 3.37Å; L146-K149 WeakPolarHBondContact O-CB 3.46Å; L146-K149 PolarHBondContact O-N 3.33Å; L146-P151 HydrophobicContact CD1-CB 4.03Å; L146-P151 HydrophobicContact CD1-CG 4.34Å; L146-P151 HydrophobicContact CG-CB 4.25Å; L146-P151 HydrophobicContact CG-CG 4.05Å; L146-P151 WeakPolarHBondContact O-CD 3.49Å; L146-E155 HydrophobicContact CD1-CG 4.36Å; L146-E155 HydrophobicContact CD2-CG 4.43Å
147	C	94.8	Very high	95.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.3	-35	178.7	-65.4	0	0	0	0	113.4	L103 L109 L143 L144 K149 Q150	L103-C147 HydrophobicContact CD2-CB 3.97Å; L109-C147 HydrophobicContact CD1-CB 4.08Å; L109-C147 HydrophobicContact CD2-CB 4.1Å; L143-C147 PolarHBondContact O-N 3.08Å; L143-C147 PolarHBondContact O-SG 2.98Å; L144-C147 WeakPolarHBondContact O-CB 3.24Å; L144-C147 PolarHBondContact O-N 2.86Å; C147-K149 PolarHBondContact O-N 2.81Å; C147-Q150 PolarHBondContact O-N 3.23Å
148	E	94.1	Very high	95.3	Very high	67 Å²	67	51.8 Å²	51.8	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-30.2	175.6	-76	178.2	152.3	0	0	113.1	L109 Q110 K113 L144 E145 L146 Q150	L109-E148 HydrophobicContact CD2-CB 4.33Å; L109-E148 HydrophobicContact CD2-CG 3.7Å; L109-E148 HydrophobicContact CG-CG 4.2Å; Q110-E148 PolarHBondContact NE2-OE1 3.31Å; K113-E148 WeakPolarHBondContact CD-OE1 2.96Å; K113-E148 IonicContact NZ-OE1 3.17Å; K113-E148 PolarHBondContact NZ-OE1 2.58Å; K113-E148 IonicContact NZ-OE2 2.84Å; K113-E148 PolarHBondContact NZ-OE2 3.49Å; L144-E148 PolarHBondContact O-N 3.15Å; E145-E148 PolarHBondContact O-N 3.11Å; L146-E148 VanDerWaalsContact C-N 3.26Å; L146-E148 PolarHBondContact O-N 3.37Å; E148-Q150 PolarHBondContact O-N 3.38Å
149	K	93.4	Very high	95.2	Very high	159 Å²	159	50.1 Å²	50.1	69%	0.691	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-0.2	175.6	-62.7	167	-171.3	165.6	0	112.7	E145 L146 C147	E145-K149 WeakPolarHBondContact O-CG 3.37Å; E145-K149 PolarHBondContact O-N 2.91Å; L146-K149 WeakPolarHBondContact O-CB 3.46Å; L146-K149 PolarHBondContact O-N 3.33Å; C147-K149 PolarHBondContact O-N 2.81Å
150	Q	87.3	Confident	95.2	Very high	138 Å²	138	48.9 Å²	48.9	65%	0.645	27%	0.271	S	S	*	.			trans	51.8	62.7	-177.9	-63.4	-170	-29.1	0	0	112.6	C147 E148	C147-Q150 PolarHBondContact O-N 3.23Å; E148-Q150 PolarHBondContact O-N 3.38Å
151	P	90.3	Very high	95.1	Very high	18 Å²	18	53.1 Å²	53.1	12%	0.117	29%	0.287	C	S	.	.			trans	-66	161	-179.6	34.2	-39.7	0	0	0	109.6	L103 L146 E155	L103-P151 HydrophobicContact CD2-CG 3.94Å; L146-P151 HydrophobicContact CD1-CB 4.03Å; L146-P151 HydrophobicContact CD1-CG 4.34Å; L146-P151 HydrophobicContact CG-CB 4.25Å; L146-P151 HydrophobicContact CG-CG 4.05Å; L146-P151 WeakPolarHBondContact O-CD 3.49Å; P151-E155 HydrophobicContact CB-CB 4.09Å; P151-E155 HydrophobicContact CB-CG 4.27Å; P151-E155 VanDerWaalsContact CB-OE2 3.27Å; P151-E155 WeakPolarHBondContact CB-OE2 3.4Å
152	G	90.8	Very high	95.1	Very high	48 Å²	48	55.8 Å²	55.8	50%	0.495	30%	0.301	S	S	.	.			trans	-62.6	145.1	162.8	0	0	0	0	0	109.9	C154 E155	G152-C154 PolarHBondContact O-N 3.27Å; G152-E155 WeakPolarHBondContact O-CB 3.47Å; G152-E155 PolarHBondContact O-N 3.02Å
153	L	92.1	Very high	95	Very high	61 Å²	61	54.7 Å²	54.7	32%	0.319	29%	0.293	S	S	.	.	H	α-helix	trans	-51.6	-33.4	177.5	179.3	58.7	0	0	0	113.2	F96 E100 L103 E155 L156 L157	F96-L153 HydrophobicContact CZ-CD1 3.94Å; E100-L153 HydrophobicContact CB-CD1 4.46Å; E100-L153 HydrophobicContact CG-CD1 3.74Å; E100-L153 WeakPolarHBondContact OE1-CD1 3.34Å; E100-L153 WeakPolarHBondContact OE1-CD2 3.45Å; L103-L153 HydrophobicContact CD1-CD1 4.38Å; L153-E155 VanDerWaalsContact C-N 3.27Å; L153-E155 PolarHBondContact O-N 3.31Å; L153-L156 PolarHBondContact O-N 3.48Å; L153-L157 VanDerWaalsContact O-CB 3.27Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 PolarHBondContact O-N 3.05Å
154	C	94.2	Very high	95.1	Very high	111 Å²	111	57.7 Å²	57.7	75%	0.75	32%	0.315	S	S	*	.	H	α-helix	trans	-61.5	-32.3	177	-64	0	0	0	0	113.4	G152 G158	G152-C154 PolarHBondContact O-N 3.27Å; C154-G158 PolarHBondContact O-N 3.03Å
155	E	95.8	Very high	95.1	Very high	110 Å²	110	59.7 Å²	59.7	51%	0.514	33%	0.326	S	S	.	.	H	α-helix	trans	-75	-46.9	-179.9	-176.8	177	-171.6	0	0	110.7	L146 P151 G152 L153 L157 G158 S159	L146-E155 HydrophobicContact CD1-CG 4.36Å; L146-E155 HydrophobicContact CD2-CG 4.43Å; P151-E155 HydrophobicContact CB-CB 4.09Å; P151-E155 HydrophobicContact CB-CG 4.27Å; P151-E155 VanDerWaalsContact CB-OE2 3.27Å; P151-E155 WeakPolarHBondContact CB-OE2 3.4Å; G152-E155 WeakPolarHBondContact O-CB 3.47Å; G152-E155 PolarHBondContact O-N 3.02Å; L153-E155 VanDerWaalsContact C-N 3.27Å; L153-E155 PolarHBondContact O-N 3.31Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.23Å; E155-G158 WeakPolarHBondContact O-CA 3.5Å; E155-G158 PolarHBondContact O-N 2.88Å; E155-S159 PolarHBondContact O-N 2.9Å; E155-S159 PolarHBondContact O-OG 3.29Å
156	L	96.5	Very high	95.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-44.7	172.2	177.9	62.9	0	0	0	111.4	F96 L99 E100 L103 L143 L153 G158 S159 F160	F96-L156 HydrophobicContact CE2-CD2 4.45Å; F96-L156 HydrophobicContact CE2-CG 4.21Å; L99-L156 HydrophobicContact CB-CD1 4.37Å; L99-L156 HydrophobicContact CB-CD2 4.14Å; L99-L156 HydrophobicContact CD1-CD1 4.41Å; E100-L156 HydrophobicContact CB-CD2 4.39Å; L103-L156 HydrophobicContact CD1-CD2 4Å; L103-L156 HydrophobicContact CG-CD2 4.4Å; L143-L156 HydrophobicContact CD2-CD1 4.33Å; L153-L156 PolarHBondContact O-N 3.48Å; L156-G158 VanDerWaalsContact C-N 3.28Å; L156-G158 PolarHBondContact O-N 2.94Å; L156-S159 PolarHBondContact O-N 3.36Å; L156-F160 HydrophobicContact CD1-CD2 4.1Å; L156-F160 HydrophobicContact CD1-CE2 3.95Å; L156-F160 HydrophobicContact CG-CD2 4.5Å; L156-F160 PolarHBondContact O-N 3.14Å; L156-F160 VanDerWaalsContact O-N 3.14Å
157	L	97.6	Very high	95.4	Very high	9 Å²	9	56.4 Å²	56.4	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-36.2	175.2	-178.6	61.1	0	0	0	112.1	V46 F96 L153 E155 S159 F160 R161	V46-L157 HydrophobicContact CB-CD1 3.98Å; V46-L157 HydrophobicContact CG1-CD1 3.61Å; F96-L157 HydrophobicContact CD2-CD1 4.46Å; F96-L157 HydrophobicContact CE2-CB 3.94Å; F96-L157 HydrophobicContact CE2-CD1 3.77Å; F96-L157 HydrophobicContact CE2-CG 4.47Å; F96-L157 HydrophobicContact CZ-CB 4.24Å; F96-L157 HydrophobicContact CZ-CD1 3.91Å; L153-L157 VanDerWaalsContact O-CB 3.27Å; L153-L157 WeakPolarHBondContact O-CB 3.45Å; L153-L157 PolarHBondContact O-N 3.05Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 3.23Å; L157-S159 VanDerWaalsContact C-N 3.35Å; L157-F160 PolarHBondContact O-N 3.43Å; L157-R161 HydrophobicContact CD1-CG 4.47Å; L157-R161 WeakPolarHBondContact O-CB 3.3Å; L157-R161 VanDerWaalsContact O-CG 3.29Å; L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 3.46Å
158	G	97.6	Very high	95.5	Very high	37 Å²	37	60.3 Å²	60.3	38%	0.381	33%	0.327	S	S	.	.	H	α-helix	trans	-57.7	-46.7	172.9	0	0	0	0	0	111.7	C154 E155 L156 F160 R161 D162	C154-G158 PolarHBondContact O-N 3.03Å; E155-G158 WeakPolarHBondContact O-CA 3.5Å; E155-G158 PolarHBondContact O-N 2.88Å; L156-G158 VanDerWaalsContact C-N 3.28Å; L156-G158 PolarHBondContact O-N 2.94Å; G158-F160 PolarHBondContact O-N 2.95Å; G158-R161 PolarHBondContact O-N 3.03Å; G158-R161 VanDerWaalsContact O-N 3.11Å; G158-D162 PolarHBondContact O-N 3.37Å; G158-D162 VanDerWaalsContact O-N 3.08Å
159	S	97.3	Very high	95.7	Very high	29 Å²	29	57.1 Å²	57.1	20%	0.203	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-40.4	176.8	-53.7	0	0	0	0	113.1	E155 L156 L157 R161 D162 V165	E155-S159 PolarHBondContact O-N 2.9Å; E155-S159 PolarHBondContact O-OG 3.29Å; L156-S159 PolarHBondContact O-N 3.36Å; L157-S159 VanDerWaalsContact C-N 3.35Å; S159-R161 PolarHBondContact O-N 3.28Å; S159-D162 PolarHBondContact O-N 2.82Å; S159-V165 WeakPolarHBondContact O-CG1 3.47Å
160	F	97.6	Very high	96	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-72.7	-13.1	175.7	-88.7	-98	0	0	0	114.2	V46 G95 F96 L99 L143 L156 L157 G158 S166 I169	V46-F160 HydrophobicContact CG2-CB 4.09Å; V46-F160 HydrophobicContact CG2-CD1 4.41Å; G95-F160 VanDerWaalsContact C-CZ 3.48Å; F96-F160 HydrophobicContact CB-CD1 3.78Å; F96-F160 HydrophobicContact CB-CE1 3.83Å; F96-F160 HydrophobicContact CB-CG 4.14Å; F96-F160 HydrophobicContact CB-CZ 4.23Å; F96-F160 HydrophobicContact CD2-CB 3.93Å; F96-F160 HydrophobicContact CD2-CD1 4.25Å; F96-F160 AromaticContact CD2-CD2 3.78Å; F96-F160 HydrophobicContact CD2-CD2 3.78Å; F96-F160 HydrophobicContact CD2-CE2 4.34Å; F96-F160 AromaticContact CD2-CG 3.71Å; F96-F160 HydrophobicContact CD2-CG 3.71Å; F96-F160 HydrophobicContact CG-CG 4.4Å; F96-F160 VanDerWaalsContact N-CE1 3.32Å; L99-F160 HydrophobicContact CD1-CE2 3.8Å; L99-F160 HydrophobicContact CD1-CZ 3.91Å; L143-F160 HydrophobicContact CD1-CE2 4.03Å; L156-F160 HydrophobicContact CD1-CD2 4.1Å; L156-F160 HydrophobicContact CD1-CE2 3.95Å; L156-F160 HydrophobicContact CG-CD2 4.5Å; L156-F160 PolarHBondContact O-N 3.14Å; L156-F160 VanDerWaalsContact O-N 3.14Å; L157-F160 PolarHBondContact O-N 3.43Å; G158-F160 PolarHBondContact O-N 2.95Å; F160-S166 WeakPolarHBondContact O-CB 3.11Å; F160-S166 PolarHBondContact O-OG 3.31Å; F160-I169 HydrophobicContact CD1-CD1 4.21Å; F160-I169 HydrophobicContact CD2-CD1 4.32Å; F160-I169 HydrophobicContact CE1-CD1 3.76Å; F160-I169 HydrophobicContact CE1-CG2 4.34Å; F160-I169 HydrophobicContact CE2-CD1 3.88Å; F160-I169 HydrophobicContact CG-CD1 4.48Å; F160-I169 HydrophobicContact CZ-CD1 3.59Å; F160-I169 HydrophobicContact CZ-CG2 4.34Å
161	R	97.4	Very high	96.5	Very high	92 Å²	92	44.2 Å²	44.2	35%	0.347	26%	0.256	S	S	.	.	H	α-helix	trans	-93.2	-15.2	173	-76.2	177	173.3	169.2	3.5	113.3	V46 S47 D48 L157 G158 S159 Q163	V46-R161 PolarHBondContact O-NE 3.29Å; V46-R161 PolarHBondContact O-NH2 3.23Å; V46-R161 VanDerWaalsContact O-NH2 3.14Å; S47-R161 PolarHBondContact O-NH2 3.16Å; D48-R161 VanDerWaalsContact CG-NH2 3.29Å; D48-R161 IonicContact OD1-CZ 2.82Å; D48-R161 IonicContact OD1-NH1 2.96Å; D48-R161 PolarHBondContact OD1-NH1 2.87Å; D48-R161 VanDerWaalsContact OD1-NH1 3.16Å; D48-R161 IonicContact OD1-NH2 3.55Å; D48-R161 PolarHBondContact OD1-NH2 3.18Å; D48-R161 IonicContact OD2-NH2 3.29Å; L157-R161 HydrophobicContact CD1-CG 4.47Å; L157-R161 WeakPolarHBondContact O-CB 3.3Å; L157-R161 VanDerWaalsContact O-CG 3.29Å; L157-R161 WeakPolarHBondContact O-CG 3.46Å; L157-R161 PolarHBondContact O-N 3.46Å; G158-R161 PolarHBondContact O-N 3.03Å; G158-R161 VanDerWaalsContact O-N 3.11Å; S159-R161 PolarHBondContact O-N 3.28Å; R161-Q163 PolarHBondContact O-N 3.31Å
162	D	97.9	Very high	97	Very high	77 Å²	77	43.4 Å²	43.4	41%	0.412	25%	0.251	S	S	.	.	S	Bend	trans	-71.4	124.7	166.8	-179.9	-92.3	0	0	0	109.5	G158 S159 S164 V165 S166	G158-D162 PolarHBondContact O-N 3.37Å; G158-D162 VanDerWaalsContact O-N 3.08Å; S159-D162 PolarHBondContact O-N 2.82Å; D162-S164 VanDerWaalsContact C-N 3.35Å; D162-S164 PolarHBondContact O-N 3.39Å; D162-S164 WeakPolarHBondContact OD1-CB 3.27Å; D162-S164 PolarHBondContact OD1-N 3.26Å; D162-S164 VanDerWaalsContact OD1-N 3.09Å; D162-V165 HydrophobicContact CB-CB 4.14Å; D162-V165 HydrophobicContact CB-CG2 4.25Å; D162-V165 WeakPolarHBondContact OD1-CG2 3.5Å; D162-V165 PolarHBondContact OD1-N 2.89Å; D162-S166 WeakPolarHBondContact O-CB 3.35Å; D162-S166 PolarHBondContact O-N 2.79Å
163	Q	96.2	Very high	97.3	Very high	79 Å²	79	41.1 Å²	41.1	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-43.9	-173.2	-170.7	69.9	55.3	0	0	111.6	L45 R161 D167	L45-Q163 HydrophobicContact CD1-CB 4.4Å; R161-Q163 PolarHBondContact O-N 3.31Å; Q163-D167 VanDerWaalsContact NE2-CG 3.31Å; Q163-D167 PolarHBondContact NE2-OD1 3.12Å; Q163-D167 PolarHBondContact NE2-OD2 2.86Å; Q163-D167 VanDerWaalsContact O-CB 3.28Å; Q163-D167 WeakPolarHBondContact O-CB 3.3Å; Q163-D167 PolarHBondContact O-N 3.08Å
164	S	97	Very high	97.7	Very high	70 Å²	70	38.2 Å²	38.2	49%	0.49	21%	0.212	S	C	.	.	H	α-helix	trans	-66.3	-51.8	-177.6	-172.8	0	0	0	0	110.9	D162 S166 D167 Y168	D162-S164 VanDerWaalsContact C-N 3.35Å; D162-S164 PolarHBondContact O-N 3.39Å; D162-S164 WeakPolarHBondContact OD1-CB 3.27Å; D162-S164 PolarHBondContact OD1-N 3.26Å; D162-S164 VanDerWaalsContact OD1-N 3.09Å; S164-S166 PolarHBondContact O-N 2.78Å; S164-D167 PolarHBondContact O-N 2.78Å; S164-Y168 WeakPolarHBondContact O-CB 3.39Å; S164-Y168 WeakPolarHBondContact O-CD2 3.49Å; S164-Y168 PolarHBondContact O-N 3.27Å
165	V	98	Very high	97.9	Very high	41 Å²	41	33.8 Å²	33.8	25%	0.248	18%	0.181	C	C	.	.	H	α-helix	trans	-61.1	-48.6	-179.8	172.9	0	0	0	0	110.5	T139 L143 S159 D162 D167 Y168 I169	T139-V165 HydrophobicContact CG2-CG1 4.13Å; L143-V165 HydrophobicContact CD1-CG1 4.04Å; S159-V165 WeakPolarHBondContact O-CG1 3.47Å; D162-V165 HydrophobicContact CB-CB 4.14Å; D162-V165 HydrophobicContact CB-CG2 4.25Å; D162-V165 WeakPolarHBondContact OD1-CG2 3.5Å; D162-V165 PolarHBondContact OD1-N 2.89Å; V165-D167 VanDerWaalsContact C-N 3.35Å; V165-D167 PolarHBondContact O-N 3.21Å; V165-Y168 PolarHBondContact O-N 3.25Å; V165-I169 HydrophobicContact CG1-CD1 4.14Å; V165-I169 WeakPolarHBondContact O-CD1 3.26Å; V165-I169 VanDerWaalsContact O-CG1 3.25Å; V165-I169 WeakPolarHBondContact O-CG1 3.38Å; V165-I169 PolarHBondContact O-N 3.33Å; V165-I169 VanDerWaalsContact O-N 3.08Å
166	S	98.3	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.007	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-40.6	-177.6	-155.7	0	0	0	0	112.1	R92 F160 D162 S164 V170	R92-S166 PolarHBondContact NH1-O 2.94Å; R92-S166 PolarHBondContact NH1-OG 3.2Å; F160-S166 WeakPolarHBondContact O-CB 3.11Å; F160-S166 PolarHBondContact O-OG 3.31Å; D162-S166 WeakPolarHBondContact O-CB 3.35Å; D162-S166 PolarHBondContact O-N 2.79Å; S164-S166 PolarHBondContact O-N 2.78Å; S166-V170 WeakPolarHBondContact O-CG2 3.09Å; S166-V170 PolarHBondContact O-N 2.96Å; S166-V170 VanDerWaalsContact O-N 3.15Å
167	D	98.5	Very high	98.1	Very high	37 Å²	37	29 Å²	29	20%	0.198	16%	0.159	C	C	.	.	H	α-helix	trans	-72.8	-35.3	177.9	-69.7	-11.5	0	0	0	112.5	R92 Q163 S164 V165 I169 V170 V171 M209	R92-D167 IonicContact CZ-OD1 2.96Å; R92-D167 IonicContact NH1-OD1 2.66Å; R92-D167 PolarHBondContact NH1-OD1 3.43Å; R92-D167 IonicContact NH2-OD1 3.27Å; R92-D167 PolarHBondContact NH2-OD1 3.24Å; Q163-D167 VanDerWaalsContact NE2-CG 3.31Å; Q163-D167 PolarHBondContact NE2-OD1 3.12Å; Q163-D167 PolarHBondContact NE2-OD2 2.86Å; Q163-D167 VanDerWaalsContact O-CB 3.28Å; Q163-D167 WeakPolarHBondContact O-CB 3.3Å; Q163-D167 PolarHBondContact O-N 3.08Å; S164-D167 PolarHBondContact O-N 2.78Å; V165-D167 VanDerWaalsContact C-N 3.35Å; V165-D167 PolarHBondContact O-N 3.21Å; D167-I169 VanDerWaalsContact C-N 3.31Å; D167-I169 PolarHBondContact O-N 3.25Å; D167-V170 WeakPolarHBondContact O-CB 3.31Å; D167-V170 PolarHBondContact O-N 2.66Å; D167-V170 VanDerWaalsContact O-N 3.15Å; D167-V171 WeakPolarHBondContact O-CG2 3.46Å; D167-V171 PolarHBondContact O-N 3.35Å; D167-M209 HydrophobicContact CB-CE 3.94Å
168	Y	98.6	Very high	98.2	Very high	82 Å²	82	28.6 Å²	28.6	32%	0.322	16%	0.157	S	C	.	.	H	α-helix	trans	-62.2	-39.1	174.4	-89	-130.1	0	0	0	112	D135 F136 T139 S164 V165 V171 Y172	D135-Y168 HydrophobicContact CB-CE1 3.94Å; F136-Y168 AromaticContact CD1-CD1 3.44Å; F136-Y168 HydrophobicContact CD1-CD1 3.44Å; F136-Y168 VanDerWaalsContact CD1-CD1 3.44Å; F136-Y168 HydrophobicContact CD1-CD2 4.12Å; F136-Y168 AromaticContact CD1-CE1 3.92Å; F136-Y168 HydrophobicContact CD1-CE1 3.92Å; F136-Y168 AromaticContact CD1-CG 3.55Å; F136-Y168 HydrophobicContact CD1-CG 3.55Å; F136-Y168 AromaticContact CE1-CD1 3.8Å; F136-Y168 HydrophobicContact CE1-CD1 3.8Å; F136-Y168 AromaticContact CE1-CD2 3.87Å; F136-Y168 HydrophobicContact CE1-CD2 3.87Å; F136-Y168 AromaticContact CE1-CE1 3.88Å; F136-Y168 HydrophobicContact CE1-CE1 3.88Å; F136-Y168 AromaticContact CE1-CE2 3.96Å; F136-Y168 HydrophobicContact CE1-CE2 3.96Å; F136-Y168 AromaticContact CE1-CG 3.79Å; F136-Y168 HydrophobicContact CE1-CG 3.79Å; F136-Y168 AromaticContact CE1-CZ 3.96Å; F136-Y168 HydrophobicContact CG-CD1 4.46Å; T139-Y168 WeakPolarHBondContact OG1-CD1 3.42Å; S164-Y168 WeakPolarHBondContact O-CB 3.39Å; S164-Y168 WeakPolarHBondContact O-CD2 3.49Å; S164-Y168 PolarHBondContact O-N 3.27Å; V165-Y168 PolarHBondContact O-N 3.25Å; Y168-V171 PolarHBondContact O-N 3.17Å; Y168-Y172 PolarHBondContact O-N 2.73Å
169	I	98.5	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-47.9	172	-61.5	158.3	0	0	0	110.5	F140 L143 F160 V165 D167 V171 Y172 L173	F140-I169 HydrophobicContact CD2-CG2 4.07Å; F140-I169 HydrophobicContact CE2-CG2 4.22Å; L143-I169 HydrophobicContact CD1-CD1 3.09Å; L143-I169 HydrophobicContact CD1-CG1 3.62Å; F160-I169 HydrophobicContact CD1-CD1 4.21Å; F160-I169 HydrophobicContact CD2-CD1 4.32Å; F160-I169 HydrophobicContact CE1-CD1 3.76Å; F160-I169 HydrophobicContact CE1-CG2 4.34Å; F160-I169 HydrophobicContact CE2-CD1 3.88Å; F160-I169 HydrophobicContact CG-CD1 4.48Å; F160-I169 HydrophobicContact CZ-CD1 3.59Å; F160-I169 HydrophobicContact CZ-CG2 4.34Å; V165-I169 HydrophobicContact CG1-CD1 4.14Å; V165-I169 WeakPolarHBondContact O-CD1 3.26Å; V165-I169 VanDerWaalsContact O-CG1 3.25Å; V165-I169 WeakPolarHBondContact O-CG1 3.38Å; V165-I169 PolarHBondContact O-N 3.33Å; V165-I169 VanDerWaalsContact O-N 3.08Å; D167-I169 VanDerWaalsContact C-N 3.31Å; D167-I169 PolarHBondContact O-N 3.25Å; I169-V171 VanDerWaalsContact C-N 3.32Å; I169-V171 PolarHBondContact O-N 3.26Å; I169-Y172 PolarHBondContact O-N 3.16Å; I169-L173 HydrophobicContact CG2-CD1 3.8Å; I169-L173 HydrophobicContact CG2-CG 4.24Å; I169-L173 WeakPolarHBondContact O-CG 3.34Å; I169-L173 PolarHBondContact O-N 2.87Å
170	V	98.8	Very high	98.3	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-58.5	-46.1	179.6	168.2	0	0	0	0	110.4	N88 Y91 R92 S166 D167 Y172 L173 R174 M209	N88-V170 HydrophobicContact CB-CG1 3.77Å; N88-V170 HydrophobicContact CB-CG2 4.2Å; Y91-V170 HydrophobicContact CD2-CG1 4.43Å; Y91-V170 HydrophobicContact CG-CG1 4.48Å; R92-V170 HydrophobicContact CB-CG2 4.28Å; S166-V170 WeakPolarHBondContact O-CG2 3.09Å; S166-V170 PolarHBondContact O-N 2.96Å; S166-V170 VanDerWaalsContact O-N 3.15Å; D167-V170 WeakPolarHBondContact O-CB 3.31Å; D167-V170 PolarHBondContact O-N 2.66Å; D167-V170 VanDerWaalsContact O-N 3.15Å; V170-Y172 VanDerWaalsContact C-N 3.34Å; V170-Y172 PolarHBondContact O-N 2.83Å; V170-L173 PolarHBondContact O-N 3.43Å; V170-R174 HydrophobicContact CG1-CG 4.44Å; V170-R174 WeakPolarHBondContact O-CG 3.42Å; V170-R174 PolarHBondContact O-N 3.29Å; V170-M209 HydrophobicContact CB-CE 4.14Å; V170-M209 HydrophobicContact CB-SD 4.33Å; V170-M209 HydrophobicContact CG1-CE 3.77Å; V170-M209 HydrophobicContact CG1-SD 3.6Å; V170-M209 VanDerWaalsContact CG1-SD 3.6Å
171	V	98.7	Very high	98.3	Very high	25 Å²	25	27.1 Å²	27.1	15%	0.152	14%	0.136	C	C	.	.	H	α-helix	trans	-58.3	-47.5	176.7	174.4	0	0	0	0	110.4	F136 D167 Y168 I169 L173 R174 L175 M209	F136-V171 HydrophobicContact CD1-CB 3.87Å; F136-V171 HydrophobicContact CD1-CG1 3.86Å; F136-V171 HydrophobicContact CD1-CG2 4.5Å; F136-V171 HydrophobicContact CD2-CB 4.47Å; F136-V171 HydrophobicContact CD2-CG1 3.59Å; F136-V171 HydrophobicContact CE1-CB 3.95Å; F136-V171 HydrophobicContact CE1-CG1 3.84Å; F136-V171 HydrophobicContact CE1-CG2 4.14Å; F136-V171 HydrophobicContact CE2-CG1 3.58Å; F136-V171 HydrophobicContact CG-CB 4.16Å; F136-V171 HydrophobicContact CG-CG1 3.76Å; F136-V171 HydrophobicContact CZ-CB 4.32Å; F136-V171 HydrophobicContact CZ-CG1 3.71Å; F136-V171 HydrophobicContact CZ-CG2 4.45Å; D167-V171 WeakPolarHBondContact O-CG2 3.46Å; D167-V171 PolarHBondContact O-N 3.35Å; Y168-V171 PolarHBondContact O-N 3.17Å; I169-V171 VanDerWaalsContact C-N 3.32Å; I169-V171 PolarHBondContact O-N 3.26Å; V171-L173 PolarHBondContact O-N 3.45Å; V171-R174 WeakPolarHBondContact O-CB 3.31Å; V171-R174 PolarHBondContact O-N 2.94Å; V171-L175 HydrophobicContact CG1-CD1 4.09Å; V171-L175 HydrophobicContact CG1-CG 4.4Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 2.95Å; V171-M209 HydrophobicContact CG2-CE 4.26Å; V171-M209 HydrophobicContact CG2-CG 3.99Å; V171-M209 HydrophobicContact CG2-SD 3.48Å; V171-M209 WeakPolarHBondContact CG2-SD 3.43Å
172	Y	98.8	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-44.2	179.4	-163.4	-117.4	0	0	0	112.4	S119 K120 L123 F136 H137 F140 Y168 I169 V170 R174 L175 L176	S119-Y172 PolarHBondContact OG-OH 2.83Å; K120-Y172 PolarHBondContact N-OH 3.27Å; L123-Y172 HydrophobicContact CD1-CE2 4.19Å; F136-Y172 HydrophobicContact CB-CD2 4.04Å; F136-Y172 HydrophobicContact CB-CG 4.41Å; H137-Y172 HydrophobicContact CB-CD2 4.18Å; H137-Y172 HydrophobicContact CB-CE2 3.66Å; H137-Y172 AromaticContact CD2-CE1 3.92Å; H137-Y172 AromaticContact CD2-CZ 3.45Å; H137-Y172 VanDerWaalsContact CD2-CZ 3.45Å; H137-Y172 PolarHBondContact CD2-OH 3.23Å; F140-Y172 HydrophobicContact CB-CD1 3.77Å; F140-Y172 HydrophobicContact CB-CE1 4.35Å; F140-Y172 HydrophobicContact CB-CG 4.35Å; F140-Y172 AromaticContact CD1-CD1 3.67Å; F140-Y172 HydrophobicContact CD1-CD1 3.67Å; F140-Y172 AromaticContact CD1-CE1 3.76Å; F140-Y172 HydrophobicContact CD1-CE1 3.76Å; F140-Y172 HydrophobicContact CD2-CD1 4.42Å; F140-Y172 HydrophobicContact CE1-CD1 4.34Å; F140-Y172 HydrophobicContact CE1-CE1 4.37Å; F140-Y172 AromaticContact CG-CD1 3.7Å; F140-Y172 HydrophobicContact CG-CD1 3.7Å; F140-Y172 HydrophobicContact CG-CE1 4.24Å; Y168-Y172 PolarHBondContact O-N 2.73Å; I169-Y172 PolarHBondContact O-N 3.16Å; V170-Y172 VanDerWaalsContact C-N 3.34Å; V170-Y172 PolarHBondContact O-N 2.83Å; Y172-R174 VanDerWaalsContact C-N 3.33Å; Y172-R174 PolarHBondContact O-N 3.47Å; Y172-L175 PolarHBondContact O-N 2.88Å; Y172-L176 HydrophobicContact CD1-CD1 3.86Å; Y172-L176 HydrophobicContact CD1-CG 4.27Å; Y172-L176 HydrophobicContact CE1-CD1 3.69Å; Y172-L176 HydrophobicContact CE1-CD2 4.14Å; Y172-L176 HydrophobicContact CE1-CG 4.02Å; Y172-L176 WeakPolarHBondContact O-CG 3.34Å; Y172-L176 PolarHBondContact O-N 3.09Å
173	L	98.9	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-36.7	177.1	-65	171.2	0	0	0	112.4	Y91 F94 F140 I169 V170 V171 L176 T177 L221 L225	Y91-L173 HydrophobicContact CD1-CB 3.69Å; Y91-L173 HydrophobicContact CE1-CB 4.44Å; Y91-L173 HydrophobicContact CG-CB 4.42Å; Y91-L173 WeakPolarHBondContact O-CD1 3.36Å; F94-L173 HydrophobicContact CD1-CD1 4.21Å; F94-L173 HydrophobicContact CD1-CD2 4.28Å; F94-L173 HydrophobicContact CE1-CD2 4.09Å; F140-L173 HydrophobicContact CE2-CD2 4.22Å; F140-L173 HydrophobicContact CZ-CD2 4.26Å; I169-L173 HydrophobicContact CG2-CD1 3.8Å; I169-L173 HydrophobicContact CG2-CG 4.24Å; I169-L173 WeakPolarHBondContact O-CG 3.34Å; I169-L173 PolarHBondContact O-N 2.87Å; V170-L173 PolarHBondContact O-N 3.43Å; V171-L173 PolarHBondContact O-N 3.45Å; L173-L176 HydrophobicContact CD2-CD1 4.32Å; L173-L176 PolarHBondContact O-N 2.83Å; L173-T177 WeakPolarHBondContact O-CB 3.42Å; L173-T177 PolarHBondContact O-N 2.87Å; L173-T177 PolarHBondContact O-OG1 3.42Å; L173-L221 HydrophobicContact CB-CD1 4.38Å; L173-L221 HydrophobicContact CB-CD2 4.45Å; L173-L221 HydrophobicContact CD2-CD1 4.09Å; L173-L225 HydrophobicContact CD2-CD1 4.03Å
174	R	98.8	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.6	-43.9	172.5	-76.7	178	177.5	-74.6	-2.1	111.6	G87 N88 Y91 V170 V171 Y172 T177 S178 V206 P208 K211	G87-R174 PolarHBondContact O-NH2 3.04Å; G87-R174 VanDerWaalsContact O-NH2 3.08Å; N88-R174 PolarHBondContact OD1-NE 2.97Å; N88-R174 PolarHBondContact OD1-NH2 3.45Å; Y91-R174 HydrophobicContact CD1-CG 4.34Å; Y91-R174 HydrophobicContact CD2-CG 3.85Å; Y91-R174 HydrophobicContact CE1-CG 4.05Å; Y91-R174 HydrophobicContact CE2-CG 3.53Å; Y91-R174 VanDerWaalsContact CE2-CZ 3.4Å; Y91-R174 HydrophobicContact CG-CG 4.23Å; V170-R174 HydrophobicContact CG1-CG 4.44Å; V170-R174 WeakPolarHBondContact O-CG 3.42Å; V170-R174 PolarHBondContact O-N 3.29Å; V171-R174 WeakPolarHBondContact O-CB 3.31Å; V171-R174 PolarHBondContact O-N 2.94Å; Y172-R174 VanDerWaalsContact C-N 3.33Å; Y172-R174 PolarHBondContact O-N 3.47Å; R174-T177 WeakPolarHBondContact O-CB 3.28Å; R174-T177 PolarHBondContact O-N 2.85Å; R174-S178 PolarHBondContact O-N 3.29Å; R174-V206 WeakPolarHBondContact CB-O 3.4Å; R174-V206 VanDerWaalsContact CD-O 3.3Å; R174-V206 WeakPolarHBondContact CD-O 3.47Å; R174-V206 WeakPolarHBondContact CG-O 3.18Å; R174-V206 PolarHBondContact NH1-O 3.49Å; R174-P208 PolarHBondContact NH1-O 2.71Å; R174-K211 PolarHBondContact NH1-O 3.45Å; R174-K211 PolarHBondContact NH2-O 3.27Å
175	L	98.8	Very high	98.4	Very high	19 Å²	19	28 Å²	28	10%	0.099	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-41.2	176.8	-66.4	172.3	0	0	0	112.1	L123 F128 I133 F136 V171 Y172 T177 S178 G179	L123-L175 HydrophobicContact CD1-CB 4.24Å; L123-L175 WeakPolarHBondContact CD2-O 3.28Å; F128-L175 HydrophobicContact CD1-CD2 4.02Å; F128-L175 HydrophobicContact CE1-CD2 3.75Å; I133-L175 HydrophobicContact CB-CD1 4.19Å; I133-L175 HydrophobicContact CG2-CD1 3.69Å; F136-L175 HydrophobicContact CD2-CD1 4.28Å; V171-L175 HydrophobicContact CG1-CD1 4.09Å; V171-L175 HydrophobicContact CG1-CG 4.4Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 2.95Å; Y172-L175 PolarHBondContact O-N 2.88Å; L175-T177 VanDerWaalsContact C-N 3.3Å; L175-T177 PolarHBondContact O-N 2.74Å; L175-S178 PolarHBondContact O-N 2.96Å; L175-G179 PolarHBondContact O-N 3.41Å
176	L	98.8	Very high	98.3	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.052	13%	0.134	C	C	.	.	H	α-helix	trans	-60.6	-41.4	173.7	-69	174.4	0	0	0	112.1	S119 L123 Y172 L173 G179 Y180 L221 L225	S119-L176 WeakPolarHBondContact OG-CD2 3.32Å; L123-L176 HydrophobicContact CD1-CD2 4.05Å; Y172-L176 HydrophobicContact CD1-CD1 3.86Å; Y172-L176 HydrophobicContact CD1-CG 4.27Å; Y172-L176 HydrophobicContact CE1-CD1 3.69Å; Y172-L176 HydrophobicContact CE1-CD2 4.14Å; Y172-L176 HydrophobicContact CE1-CG 4.02Å; Y172-L176 WeakPolarHBondContact O-CG 3.34Å; Y172-L176 PolarHBondContact O-N 3.09Å; L173-L176 HydrophobicContact CD2-CD1 4.32Å; L173-L176 PolarHBondContact O-N 2.83Å; L176-G179 PolarHBondContact O-N 3.48Å; L176-Y180 PolarHBondContact O-N 2.83Å; L176-L221 HydrophobicContact CB-CD1 4.31Å; L176-L225 HydrophobicContact CD1-CD1 4.48Å; L176-L225 HydrophobicContact CD1-CD2 3.94Å; L176-L225 HydrophobicContact CD1-CG 4.44Å
177	T	98.8	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.9	-49.3	176.1	-54.5	0	0	0	0	110.5	Y91 L173 R174 L175 G179 Y180 L181 V206 H217 A220	Y91-T177 WeakPolarHBondContact CE1-OG1 3.04Å; L173-T177 WeakPolarHBondContact O-CB 3.42Å; L173-T177 PolarHBondContact O-N 2.87Å; L173-T177 PolarHBondContact O-OG1 3.42Å; R174-T177 WeakPolarHBondContact O-CB 3.28Å; R174-T177 PolarHBondContact O-N 2.85Å; L175-T177 VanDerWaalsContact C-N 3.3Å; L175-T177 PolarHBondContact O-N 2.74Å; T177-G179 PolarHBondContact O-N 3.04Å; T177-Y180 PolarHBondContact O-N 3.48Å; T177-L181 HydrophobicContact CG2-CD1 4.15Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.31Å; T177-L181 PolarHBondContact O-N 2.76Å; T177-V206 HydrophobicContact CG2-CG1 3.79Å; T177-H217 HydrophobicContact CG2-CB 4.27Å; T177-A220 HydrophobicContact CG2-CB 3.8Å
178	S	98.7	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.5	-48.1	175.7	175.6	0	0	0	0	111.9	R174 L175 Y180 L181 Q182 C202 E207	R174-S178 PolarHBondContact O-N 3.29Å; L175-S178 PolarHBondContact O-N 2.96Å; S178-Y180 VanDerWaalsContact C-N 3.34Å; S178-Y180 PolarHBondContact O-N 3Å; S178-L181 PolarHBondContact O-N 3.33Å; S178-Q182 WeakPolarHBondContact O-CB 3.23Å; S178-Q182 WeakPolarHBondContact O-CG 3.12Å; S178-Q182 PolarHBondContact O-N 3.11Å; S178-Q182 PolarHBondContact OG-NE2 3.04Å; S178-C202 VanDerWaalsContact OG-CB 3.3Å; S178-C202 WeakPolarHBondContact OG-CB 3.08Å; S178-E207 PolarHBondContact OG-OE1 3.09Å
179	G	98.5	Very high	98	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-40.8	178.8	0	0	0	0	0	113	Q126 L175 L176 T177 R183	Q126-G179 PolarHBondContact OE1-O 3.43Å; L175-G179 PolarHBondContact O-N 3.41Å; L176-G179 PolarHBondContact O-N 3.48Å; T177-G179 PolarHBondContact O-N 3.04Å; G179-R183 VanDerWaalsContact O-CB 3.3Å; G179-R183 WeakPolarHBondContact O-CB 3.35Å; G179-R183 PolarHBondContact O-N 3.27Å
180	Y	98.6	Very high	97.7	Very high	35 Å²	35	39.3 Å²	39.3	14%	0.137	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-46.5	175.4	-170.8	-84.6	0	0	0	112.1	L176 T177 S178 Q182 R183 E184 F188 A220 Q223 A224	L176-Y180 PolarHBondContact O-N 2.83Å; T177-Y180 PolarHBondContact O-N 3.48Å; S178-Y180 VanDerWaalsContact C-N 3.34Å; S178-Y180 PolarHBondContact O-N 3Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Y180-Q182 PolarHBondContact O-N 2.76Å; Y180-R183 PolarHBondContact O-N 3.38Å; Y180-E184 HydrophobicContact CD1-CG 4.31Å; Y180-E184 HydrophobicContact CE1-CB 4.29Å; Y180-E184 HydrophobicContact CE1-CG 3.77Å; Y180-E184 HydrophobicContact CE2-CG 4.32Å; Y180-E184 PolarHBondContact O-N 3.49Å; Y180-F188 AromaticContact CD1-CE2 3.71Å; Y180-F188 HydrophobicContact CD1-CE2 3.71Å; Y180-F188 HydrophobicContact CD1-CZ 4.04Å; Y180-F188 AromaticContact CE1-CE2 3.58Å; Y180-F188 HydrophobicContact CE1-CE2 3.58Å; Y180-F188 AromaticContact CE1-CZ 3.82Å; Y180-F188 HydrophobicContact CE1-CZ 3.82Å; Y180-A220 HydrophobicContact CD1-CB 3.9Å; Y180-Q223 HydrophobicContact CD1-CB 4.39Å; Y180-Q223 HydrophobicContact CD2-CB 4.15Å; Y180-Q223 HydrophobicContact CE1-CB 3.7Å; Y180-Q223 HydrophobicContact CE1-CG 4.3Å; Y180-Q223 HydrophobicContact CE2-CB 3.48Å; Y180-Q223 VanDerWaalsContact CE2-CB 3.48Å; Y180-Q223 VanDerWaalsContact OH-CB 3.3Å; Y180-Q223 WeakPolarHBondContact OH-CB 3.49Å; Y180-A224 HydrophobicContact CD2-CB 3.88Å; Y180-A224 HydrophobicContact CG-CB 4.12Å
181	L	98.4	Very high	97.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.1	-48.3	177.6	-71.8	170.2	0	0	0	111.3	T177 S178 E184 H185 F188 V198 F201 V206 I216 A220	T177-L181 HydrophobicContact CG2-CD1 4.15Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.31Å; T177-L181 PolarHBondContact O-N 2.76Å; S178-L181 PolarHBondContact O-N 3.33Å; L181-E184 CarbonylContact O-C 3.44Å; L181-E184 PolarHBondContact O-N 2.93Å; L181-H185 WeakPolarHBondContact O-CA 3.25Å; L181-H185 PolarHBondContact O-N 2.85Å; L181-F188 HydrophobicContact CD2-CB 4.23Å; L181-F188 HydrophobicContact CD2-CD1 3.56Å; L181-F188 HydrophobicContact CD2-CD2 3.7Å; L181-F188 HydrophobicContact CD2-CE1 3.71Å; L181-F188 HydrophobicContact CD2-CE2 3.85Å; L181-F188 HydrophobicContact CD2-CG 3.55Å; L181-F188 HydrophobicContact CD2-CZ 3.85Å; L181-V198 HydrophobicContact CB-CG1 4.02Å; L181-V198 WeakPolarHBondContact O-CG1 3.17Å; L181-F201 HydrophobicContact CD1-CD1 4.41Å; L181-F201 HydrophobicContact CD1-CE1 4.17Å; L181-V206 HydrophobicContact CD1-CG1 4.42Å; L181-V206 HydrophobicContact CD1-CG2 3.76Å; L181-I216 HydrophobicContact CD2-CD1 4.09Å; L181-I216 HydrophobicContact CD2-CG1 3.71Å; L181-A220 HydrophobicContact CD1-CB 4.41Å; L181-A220 HydrophobicContact CD2-CB 3.66Å; L181-A220 HydrophobicContact CG-CB 3.69Å
182	Q	98.4	Very high	97.2	Very high	44 Å²	44	44.8 Å²	44.8	21%	0.206	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-37.7	-179.9	-69.4	-174.4	65.4	0	0	112.6	S178 Y180 H185	S178-Q182 WeakPolarHBondContact O-CB 3.23Å; S178-Q182 WeakPolarHBondContact O-CG 3.12Å; S178-Q182 PolarHBondContact O-N 3.11Å; S178-Q182 PolarHBondContact OG-NE2 3.04Å; Y180-Q182 VanDerWaalsContact C-N 3.34Å; Y180-Q182 PolarHBondContact O-N 2.76Å; Q182-H185 WeakPolarHBondContact O-CB 3.37Å; Q182-H185 PolarHBondContact O-N 2.89Å; Q182-H185 PolarHBondContact O-ND1 3.34Å
183	R	97.9	Very high	96.7	Very high	106 Å²	106	52.4 Å²	52.4	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-45.6	175.4	-178.4	170.5	60.3	-116.8	7.5	111.7	Q126 G179 Y180 H185	Q126-R183 VanDerWaalsContact NE2-NH1 3.13Å; G179-R183 VanDerWaalsContact O-CB 3.3Å; G179-R183 WeakPolarHBondContact O-CB 3.35Å; G179-R183 PolarHBondContact O-N 3.27Å; Y180-R183 PolarHBondContact O-N 3.38Å; R183-H185 VanDerWaalsContact C-N 3.29Å; R183-H185 PolarHBondContact O-N 3.04Å
184	E	97.4	Very high	96.2	Very high	80 Å²	80	56 Å²	56	37%	0.374	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	29.5	-179.6	-58.5	-56.1	143.8	0	0	112.5	Y180 L181 G186 F187 F188	Y180-E184 HydrophobicContact CD1-CG 4.31Å; Y180-E184 HydrophobicContact CE1-CB 4.29Å; Y180-E184 HydrophobicContact CE1-CG 3.77Å; Y180-E184 HydrophobicContact CE2-CG 4.32Å; Y180-E184 PolarHBondContact O-N 3.49Å; L181-E184 CarbonylContact O-C 3.44Å; L181-E184 PolarHBondContact O-N 2.93Å; E184-G186 PolarHBondContact O-N 3.39Å; E184-F187 WeakPolarHBondContact O-CB 3.47Å; E184-F187 PolarHBondContact O-N 3.08Å; E184-F188 HydrophobicContact CB-CD2 3.77Å; E184-F188 HydrophobicContact CB-CE2 3.69Å; E184-F188 WeakPolarHBondContact O-CD2 3.45Å; E184-F188 PolarHBondContact O-N 3.29Å
185	H	96.5	Very high	95.7	Very high	107 Å²	107	60 Å²	60	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-53.1	-34.6	-173.3	67.9	-75.8	0	0	0	113.5	L181 Q182 R183 F187 F188 Q189 V198	L181-H185 WeakPolarHBondContact O-CA 3.25Å; L181-H185 PolarHBondContact O-N 2.85Å; Q182-H185 WeakPolarHBondContact O-CB 3.37Å; Q182-H185 PolarHBondContact O-N 2.89Å; Q182-H185 PolarHBondContact O-ND1 3.34Å; R183-H185 VanDerWaalsContact C-N 3.29Å; R183-H185 PolarHBondContact O-N 3.04Å; H185-F187 PolarHBondContact O-N 2.86Å; H185-F188 PolarHBondContact O-N 3.25Å; H185-Q189 WeakPolarHBondContact O-CB 3.39Å; H185-Q189 WeakPolarHBondContact O-CG 3.41Å; H185-Q189 PolarHBondContact O-N 3.15Å; H185-V198 HydrophobicContact CB-CB 4.01Å; H185-V198 HydrophobicContact CB-CG1 4.25Å; H185-V198 HydrophobicContact CB-CG2 3.86Å
186	G	96.6	Very high	95.5	Very high	34 Å²	34	62.4 Å²	62.4	35%	0.351	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-33.2	179.2	0	0	0	0	0	113.4	E184 Q189 H190	E184-G186 PolarHBondContact O-N 3.39Å; G186-Q189 PolarHBondContact O-NE2 3.47Å; G186-H190 PolarHBondContact O-CE1 3.04Å; G186-H190 PolarHBondContact O-ND1 3.4Å
187	F	95.4	Very high	95.4	Very high	113 Å²	113	64.5 Å²	64.5	50%	0.496	35%	0.347	S	S	.	.	H	α-helix	trans	-78.5	-53.2	173.4	175	-102.4	0	0	0	110.6	E184 H185 Q189 H190 F191	E184-F187 WeakPolarHBondContact O-CB 3.47Å; E184-F187 PolarHBondContact O-N 3.08Å; H185-F187 PolarHBondContact O-N 2.86Å; F187-Q189 PolarHBondContact O-N 2.93Å; F187-H190 PolarHBondContact O-ND1 3.29Å; F187-F191 HydrophobicContact CD1-CE2 4.16Å; F187-F191 HydrophobicContact CD2-CE2 4.25Å; F187-F191 HydrophobicContact CE1-CD2 4.39Å; F187-F191 AromaticContact CE1-CE2 3.76Å; F187-F191 HydrophobicContact CE1-CE2 3.76Å; F187-F191 HydrophobicContact CE1-CZ 4.4Å; F187-F191 AromaticContact CE2-CE2 3.86Å; F187-F191 HydrophobicContact CE2-CE2 3.86Å; F187-F191 HydrophobicContact CE2-CZ 4.15Å; F187-F191 HydrophobicContact CG-CE2 4.39Å; F187-F191 AromaticContact CZ-CE2 3.6Å; F187-F191 HydrophobicContact CZ-CE2 3.6Å; F187-F191 AromaticContact CZ-CZ 3.87Å; F187-F191 HydrophobicContact CZ-CZ 3.87Å; F187-F191 WeakPolarHBondContact O-CD2 3.34Å; F187-F191 WeakPolarHBondContact O-CE2 3.27Å
188	F	96.3	Very high	95.3	Very high	5 Å²	5	65 Å²	65	2%	0.022	35%	0.35	C	S	.	.	H	α-helix	trans	-70.9	-25.2	-170.1	-72.8	-69.4	0	0	0	115.3	Y180 L181 E184 H185 H190 F191 V198 I216 I219 A220	Y180-F188 AromaticContact CD1-CE2 3.71Å; Y180-F188 HydrophobicContact CD1-CE2 3.71Å; Y180-F188 HydrophobicContact CD1-CZ 4.04Å; Y180-F188 AromaticContact CE1-CE2 3.58Å; Y180-F188 HydrophobicContact CE1-CE2 3.58Å; Y180-F188 AromaticContact CE1-CZ 3.82Å; Y180-F188 HydrophobicContact CE1-CZ 3.82Å; L181-F188 HydrophobicContact CD2-CB 4.23Å; L181-F188 HydrophobicContact CD2-CD1 3.56Å; L181-F188 HydrophobicContact CD2-CD2 3.7Å; L181-F188 HydrophobicContact CD2-CE1 3.71Å; L181-F188 HydrophobicContact CD2-CE2 3.85Å; L181-F188 HydrophobicContact CD2-CG 3.55Å; L181-F188 HydrophobicContact CD2-CZ 3.85Å; E184-F188 HydrophobicContact CB-CD2 3.77Å; E184-F188 HydrophobicContact CB-CE2 3.69Å; E184-F188 WeakPolarHBondContact O-CD2 3.45Å; E184-F188 PolarHBondContact O-N 3.29Å; H185-F188 PolarHBondContact O-N 3.25Å; F188-H190 PolarHBondContact O-N 2.95Å; F188-F191 PolarHBondContact O-N 3.14Å; F188-V198 HydrophobicContact CB-CG2 4.29Å; F188-I216 HydrophobicContact CD1-CD1 3.95Å; F188-I216 HydrophobicContact CD1-CG1 3.81Å; F188-I216 HydrophobicContact CE1-CG1 4.07Å; F188-I219 HydrophobicContact CE1-CG2 4.32Å; F188-I219 HydrophobicContact CZ-CG2 4.25Å; F188-A220 HydrophobicContact CZ-CB 4.31Å
189	Q	95.6	Very high	95.3	Very high	103 Å²	103	70.5 Å²	70.5	48%	0.481	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-54.3	-28.5	-179.2	65	-175.9	-29.3	0	0	113.8	H185 G186 F187 F191 V198	H185-Q189 WeakPolarHBondContact O-CB 3.39Å; H185-Q189 WeakPolarHBondContact O-CG 3.41Å; H185-Q189 PolarHBondContact O-N 3.15Å; G186-Q189 PolarHBondContact O-NE2 3.47Å; F187-Q189 PolarHBondContact O-N 2.93Å; Q189-F191 VanDerWaalsContact C-N 3.3Å; Q189-F191 PolarHBondContact O-N 3.21Å; Q189-V198 HydrophobicContact CB-CG2 3.98Å
190	H	94.1	Very high	95.2	Very high	143 Å²	143	74.6 Å²	74.6	66%	0.662	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-78.8	-13.4	-179.2	-52.7	97.6	0	0	0	113.6	G186 F187 F188	G186-H190 PolarHBondContact O-CE1 3.04Å; G186-H190 PolarHBondContact O-ND1 3.4Å; F187-H190 PolarHBondContact O-ND1 3.29Å; F188-H190 PolarHBondContact O-N 2.95Å
191	F	93.1	Very high	95.2	Very high	123 Å²	123	73.8 Å²	73.8	54%	0.539	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-103.9	-0.9	-178.5	-57.5	-84.5	0	0	0	112.5	F187 F188 Q189 I216	F187-F191 HydrophobicContact CD1-CE2 4.16Å; F187-F191 HydrophobicContact CD2-CE2 4.25Å; F187-F191 HydrophobicContact CE1-CD2 4.39Å; F187-F191 AromaticContact CE1-CE2 3.76Å; F187-F191 HydrophobicContact CE1-CE2 3.76Å; F187-F191 HydrophobicContact CE1-CZ 4.4Å; F187-F191 AromaticContact CE2-CE2 3.86Å; F187-F191 HydrophobicContact CE2-CE2 3.86Å; F187-F191 HydrophobicContact CE2-CZ 4.15Å; F187-F191 HydrophobicContact CG-CE2 4.39Å; F187-F191 AromaticContact CZ-CE2 3.6Å; F187-F191 HydrophobicContact CZ-CE2 3.6Å; F187-F191 AromaticContact CZ-CZ 3.87Å; F187-F191 HydrophobicContact CZ-CZ 3.87Å; F187-F191 WeakPolarHBondContact O-CD2 3.34Å; F187-F191 WeakPolarHBondContact O-CE2 3.27Å; F188-F191 PolarHBondContact O-N 3.14Å; Q189-F191 VanDerWaalsContact C-N 3.3Å; Q189-F191 PolarHBondContact O-N 3.21Å; F191-I216 HydrophobicContact CB-CD1 4.41Å
192	I	93.1	Very high	95.1	Very high	17 Å²	17	73.8 Å²	73.8	9%	0.087	39%	0.39	C	S	.	.			trans	-95.5	121.3	-178.5	-64.9	173.3	0	0	0	109.6	R196 V198 F201 I216	I192-R196 HydrophobicContact CG2-CB 4.03Å; I192-V198 VanDerWaalsContact CD1-CA 3.45Å; I192-V198 HydrophobicContact CD1-CB 3.92Å; I192-V198 HydrophobicContact CD1-CG1 4.24Å; I192-V198 HydrophobicContact CD1-CG2 3.53Å; I192-F201 HydrophobicContact CD1-CB 3.74Å; I192-F201 HydrophobicContact CD1-CD1 4.12Å; I192-F201 HydrophobicContact CD1-CG 3.94Å; I192-F201 HydrophobicContact CG1-CB 4.31Å; I192-F201 HydrophobicContact CG1-CD1 4.37Å; I192-F201 HydrophobicContact CG1-CD2 4.44Å; I192-F201 HydrophobicContact CG1-CG 4.11Å; I192-F201 HydrophobicContact CG2-CB 3.92Å; I192-F201 HydrophobicContact CG2-CD2 4.06Å; I192-F201 HydrophobicContact CG2-CG 4.16Å; I192-I216 HydrophobicContact CG1-CD1 4.12Å
193	E	88.2	Confident	95.1	Very high	161 Å²	161	76.5 Å²	76.5	75%	0.752	40%	0.403	S	S	*	.	S	Bend	trans	-81.6	153.8	178.3	-59.8	-173.9	170.7	0	0	112.6	R196	E193-R196 PolarHBondContact O-NE 3.19Å; E193-R196 VanDerWaalsContact O-NE 3.13Å; E193-R196 PolarHBondContact O-NH2 3.1Å
194	G	88.2	Confident	95	Very high	75 Å²	75	75.6 Å²	75.6	77%	0.773	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	15.2	171.8	0	0	0	0	0	115.5	R196	G194-R196 PolarHBondContact O-N 2.93Å
195	G	88.6	Confident	95	Very high	83 Å²	83	74.3 Å²	74.3	86%	0.856	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	12.6	175.4	0	0	0	0	0	114.8
196	R	94.2	Very high	95.1	Very high	71 Å²	71	69.2 Å²	69.2	27%	0.268	37%	0.373	S	S	.	.			trans	-74.6	145.3	176.3	-66.5	174.4	-71.7	-178.1	-1.6	110.6	I192 E193 G194 E200 Q204 E205	I192-R196 HydrophobicContact CG2-CB 4.03Å; E193-R196 PolarHBondContact O-NE 3.19Å; E193-R196 VanDerWaalsContact O-NE 3.13Å; E193-R196 PolarHBondContact O-NH2 3.1Å; G194-R196 PolarHBondContact O-N 2.93Å; R196-E200 HydrophobicContact CB-CB 4.24Å; R196-Q204 VanDerWaalsContact CD-OE1 3.3Å; R196-E205 IonicContact NH1-OE1 2.93Å; R196-E205 PolarHBondContact NH1-OE1 2.86Å
197	S	96.7	Very high	95.1	Very high	54 Å²	54	70.2 Å²	70.2	38%	0.378	37%	0.369	S	S	.	.			trans	-67.7	160.5	164.9	66.9	0	0	0	0	111.1	K199 E200 F201	S197-K199 PolarHBondContact O-N 2.82Å; S197-E200 WeakPolarHBondContact CB-OE2 3.41Å; S197-E200 PolarHBondContact N-OE2 2.75Å; S197-E200 PolarHBondContact O-N 3.27Å; S197-E200 VanDerWaalsContact OG-CD 3.25Å; S197-E200 VanDerWaalsContact OG-CG 3.26Å; S197-E200 WeakPolarHBondContact OG-CG 3.27Å; S197-E200 PolarHBondContact OG-N 3.13Å; S197-E200 PolarHBondContact OG-OE2 3.2Å; S197-F201 PolarHBondContact O-N 3.35Å
198	V	97.7	Very high	95.2	Very high	9 Å²	9	67 Å²	67	6%	0.055	36%	0.359	C	S	.	.	H	α-helix	trans	-58.1	-36.8	175.7	179.1	0	0	0	0	111.9	L181 H185 F188 Q189 I192 F201 C202	L181-V198 HydrophobicContact CB-CG1 4.02Å; L181-V198 WeakPolarHBondContact O-CG1 3.17Å; H185-V198 HydrophobicContact CB-CB 4.01Å; H185-V198 HydrophobicContact CB-CG1 4.25Å; H185-V198 HydrophobicContact CB-CG2 3.86Å; F188-V198 HydrophobicContact CB-CG2 4.29Å; Q189-V198 HydrophobicContact CB-CG2 3.98Å; I192-V198 VanDerWaalsContact CD1-CA 3.45Å; I192-V198 HydrophobicContact CD1-CB 3.92Å; I192-V198 HydrophobicContact CD1-CG1 4.24Å; I192-V198 HydrophobicContact CD1-CG2 3.53Å; V198-F201 PolarHBondContact O-N 3.38Å; V198-C202 PolarHBondContact O-N 2.99Å; V198-C202 PolarHBondContact O-SG 3.44Å
199	K	97.1	Very high	95.3	Very high	117 Å²	117	69.7 Å²	69.7	51%	0.509	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-45.1	177.8	-172.5	172.6	-176.6	175.3	0	112.1	S197 F201 C202 Q203	S197-K199 PolarHBondContact O-N 2.82Å; K199-F201 VanDerWaalsContact C-N 3.33Å; K199-F201 PolarHBondContact O-N 3.32Å; K199-C202 PolarHBondContact O-N 2.93Å; K199-Q203 WeakPolarHBondContact O-CG 3.36Å; K199-Q203 PolarHBondContact O-N 2.63Å
200	E	97.4	Very high	95.3	Very high	86 Å²	86	67 Å²	67	40%	0.402	37%	0.365	S	S	.	.	H	α-helix	trans	-63.1	-41	176.3	-72.3	161.1	144.7	0	0	111.5	R196 S197 C202 Q203 Q204	R196-E200 HydrophobicContact CB-CB 4.24Å; S197-E200 WeakPolarHBondContact CB-OE2 3.41Å; S197-E200 PolarHBondContact N-OE2 2.75Å; S197-E200 PolarHBondContact O-N 3.27Å; S197-E200 VanDerWaalsContact OG-CD 3.25Å; S197-E200 VanDerWaalsContact OG-CG 3.26Å; S197-E200 WeakPolarHBondContact OG-CG 3.27Å; S197-E200 PolarHBondContact OG-N 3.13Å; S197-E200 PolarHBondContact OG-OE2 3.2Å; E200-C202 PolarHBondContact O-N 3.17Å; E200-Q203 PolarHBondContact O-N 2.94Å; E200-Q204 WeakPolarHBondContact O-CB 3.15Å; E200-Q204 VanDerWaalsContact O-CG 3.24Å; E200-Q204 WeakPolarHBondContact O-CG 3.49Å; E200-Q204 PolarHBondContact O-N 3.32Å
201	F	97.8	Very high	95.3	Very high	18 Å²	18	63.6 Å²	63.6	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-45.5	172.9	175.9	-97.6	0	0	0	111.8	L181 I192 S197 V198 K199 Q203 Q204 E205 V206 I216	L181-F201 HydrophobicContact CD1-CD1 4.41Å; L181-F201 HydrophobicContact CD1-CE1 4.17Å; I192-F201 HydrophobicContact CD1-CB 3.74Å; I192-F201 HydrophobicContact CD1-CD1 4.12Å; I192-F201 HydrophobicContact CD1-CG 3.94Å; I192-F201 HydrophobicContact CG1-CB 4.31Å; I192-F201 HydrophobicContact CG1-CD1 4.37Å; I192-F201 HydrophobicContact CG1-CD2 4.44Å; I192-F201 HydrophobicContact CG1-CG 4.11Å; I192-F201 HydrophobicContact CG2-CB 3.92Å; I192-F201 HydrophobicContact CG2-CD2 4.06Å; I192-F201 HydrophobicContact CG2-CG 4.16Å; S197-F201 PolarHBondContact O-N 3.35Å; V198-F201 PolarHBondContact O-N 3.38Å; K199-F201 VanDerWaalsContact C-N 3.33Å; K199-F201 PolarHBondContact O-N 3.32Å; F201-Q203 PolarHBondContact O-N 3.09Å; F201-Q204 PolarHBondContact O-N 3.3Å; F201-E205 HydrophobicContact CD2-CB 4.07Å; F201-E205 HydrophobicContact CD2-CG 3.96Å; F201-E205 HydrophobicContact CE2-CB 3.74Å; F201-E205 HydrophobicContact CE2-CG 3.87Å; F201-E205 HydrophobicContact CZ-CB 4.05Å; F201-E205 PolarHBondContact O-N 2.73Å; F201-V206 HydrophobicContact CD1-CG2 3.91Å; F201-V206 HydrophobicContact CE1-CG2 3.54Å; F201-V206 HydrophobicContact CZ-CG2 4.33Å; F201-I216 HydrophobicContact CE1-CD1 4.08Å; F201-I216 HydrophobicContact CE1-CG2 4.09Å; F201-I216 HydrophobicContact CZ-CD1 4.4Å; F201-I216 HydrophobicContact CZ-CG2 3.77Å
202	C	98.1	Very high	95.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.6	-46.4	177.9	-69.6	0	0	0	0	112.1	S178 V198 K199 E200 Q204 V206 E207	S178-C202 VanDerWaalsContact OG-CB 3.3Å; S178-C202 WeakPolarHBondContact OG-CB 3.08Å; V198-C202 PolarHBondContact O-N 2.99Å; V198-C202 PolarHBondContact O-SG 3.44Å; K199-C202 PolarHBondContact O-N 2.93Å; E200-C202 PolarHBondContact O-N 3.17Å; C202-Q204 VanDerWaalsContact C-N 3.27Å; C202-Q204 PolarHBondContact O-N 3.26Å; C202-V206 HydrophobicContact CB-CB 4.5Å; C202-V206 WeakPolarHBondContact O-CB 3.32Å; C202-V206 PolarHBondContact O-N 3.43Å; C202-V206 VanDerWaalsContact O-N 3.1Å; C202-E207 WeakPolarHBondContact O-CG 3.36Å; C202-E207 PolarHBondContact O-N 2.82Å
203	Q	97.3	Very high	95.5	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-66.8	-26.3	-179.4	-70.4	176.1	-23.3	0	0	113.3	K199 E200 F201 P208	K199-Q203 WeakPolarHBondContact O-CG 3.36Å; K199-Q203 PolarHBondContact O-N 2.63Å; E200-Q203 PolarHBondContact O-N 2.94Å; F201-Q203 PolarHBondContact O-N 3.09Å; Q203-P208 WeakPolarHBondContact O-CD 3.39Å; Q203-P208 WeakPolarHBondContact O-CG 3.19Å
204	Q	95.8	Very high	95.6	Very high	87 Å²	87	61 Å²	61	41%	0.407	34%	0.342	S	S	.	.	H	α-helix	trans	-98.7	-35.5	-176.1	-68.3	173.9	10.9	0	0	113.7	R196 E200 F201 C202 K211	R196-Q204 VanDerWaalsContact CD-OE1 3.3Å; E200-Q204 WeakPolarHBondContact O-CB 3.15Å; E200-Q204 VanDerWaalsContact O-CG 3.24Å; E200-Q204 WeakPolarHBondContact O-CG 3.49Å; E200-Q204 PolarHBondContact O-N 3.32Å; F201-Q204 PolarHBondContact O-N 3.3Å; C202-Q204 VanDerWaalsContact C-N 3.27Å; C202-Q204 PolarHBondContact O-N 3.26Å; Q204-K211 WeakPolarHBondContact O-CE 3.15Å; Q204-K211 PolarHBondContact O-NZ 3.47Å
205	E	97	Very high	95.9	Very high	52 Å²	52	60.4 Å²	60.4	24%	0.243	32%	0.319	C	S	.	.	H	α-helix	trans	-126	-4.1	-167.1	-53.2	-56	163.8	0	0	114.5	R196 F201 K211 H217	R196-E205 IonicContact NH1-OE1 2.93Å; R196-E205 PolarHBondContact NH1-OE1 2.86Å; F201-E205 HydrophobicContact CD2-CB 4.07Å; F201-E205 HydrophobicContact CD2-CG 3.96Å; F201-E205 HydrophobicContact CE2-CB 3.74Å; F201-E205 HydrophobicContact CE2-CG 3.87Å; F201-E205 HydrophobicContact CZ-CB 4.05Å; F201-E205 PolarHBondContact O-N 2.73Å; E205-K211 IonicContact OE1-NZ 3.81Å; E205-K211 IonicContact OE2-NZ 3.94Å; E205-K211 PolarHBondContact OE2-NZ 3.14Å; E205-H217 PolarHBondContact O-NE2 3.23Å
206	V	98.1	Very high	96.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-59.3	-177.4	-173.5	0	0	0	0	111.3	R174 T177 L181 F201 C202	R174-V206 WeakPolarHBondContact CB-O 3.4Å; R174-V206 VanDerWaalsContact CD-O 3.3Å; R174-V206 WeakPolarHBondContact CD-O 3.47Å; R174-V206 WeakPolarHBondContact CG-O 3.18Å; R174-V206 PolarHBondContact NH1-O 3.49Å; T177-V206 HydrophobicContact CG2-CG1 3.79Å; L181-V206 HydrophobicContact CD1-CG1 4.42Å; L181-V206 HydrophobicContact CD1-CG2 3.76Å; F201-V206 HydrophobicContact CD1-CG2 3.91Å; F201-V206 HydrophobicContact CE1-CG2 3.54Å; F201-V206 HydrophobicContact CZ-CG2 4.33Å; C202-V206 HydrophobicContact CB-CB 4.5Å; C202-V206 WeakPolarHBondContact O-CB 3.32Å; C202-V206 PolarHBondContact O-N 3.43Å; C202-V206 VanDerWaalsContact O-N 3.1Å
207	E	98.3	Very high	96.5	Very high	55 Å²	55	54.7 Å²	54.7	26%	0.257	27%	0.274	S	S	.	.	S	Bend	trans	-65.4	-41.2	-175.2	-64.5	171.2	-167.2	0	0	113.3	S178 C202	S178-E207 PolarHBondContact OG-OE1 3.09Å; C202-E207 WeakPolarHBondContact O-CG 3.36Å; C202-E207 PolarHBondContact O-N 2.82Å
208	P	97.8	Very high	96.5	Very high	46 Å²	46	52.1 Å²	52.1	30%	0.299	26%	0.256	S	S	.	.	S	Bend	trans	-65.6	140.9	178.2	-21.1	34.3	0	0	0	112.3	R174 Q203 K211	R174-P208 PolarHBondContact NH1-O 2.71Å; Q203-P208 WeakPolarHBondContact O-CD 3.39Å; Q203-P208 WeakPolarHBondContact O-CG 3.19Å; P208-K211 HydrophobicContact CB-CG 3.97Å
209	M	97.1	Very high	96.5	Very high	61 Å²	61	54.1 Å²	54.1	30%	0.3	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	153.9	173	-72.1	-66.8	-80	0	0	111.4	D167 V170 V171 K211	D167-M209 HydrophobicContact CB-CE 3.94Å; V170-M209 HydrophobicContact CB-CE 4.14Å; V170-M209 HydrophobicContact CB-SD 4.33Å; V170-M209 HydrophobicContact CG1-CE 3.77Å; V170-M209 HydrophobicContact CG1-SD 3.6Å; V170-M209 VanDerWaalsContact CG1-SD 3.6Å; V171-M209 HydrophobicContact CG2-CE 4.26Å; V171-M209 HydrophobicContact CG2-CG 3.99Å; V171-M209 HydrophobicContact CG2-SD 3.48Å; V171-M209 WeakPolarHBondContact CG2-SD 3.43Å; M209-K211 PolarHBondContact O-N 2.99Å; M209-K211 VanDerWaalsContact O-N 3.1Å
210	S	94.9	Very high	96.5	Very high	47 Å²	47	48.5 Å²	48.5	33%	0.329	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	12.7	173.8	-46.4	0	0	0	0	114.8	D86 N88	D86-S210 WeakPolarHBondContact O-CA 3.47Å; D86-S210 WeakPolarHBondContact O-CB 3.14Å; D86-S210 PolarHBondContact O-OG 3.33Å; N88-S210 PolarHBondContact OD1-N 3.16Å
211	K	95.3	Very high	96.6	Very high	72 Å²	72	44.4 Å²	44.4	31%	0.313	22%	0.222	S	C	.	.			trans	-83.4	131.7	168.2	-73.7	-65.3	-163	140.3	0	111.4	G87 R174 Q204 E205 P208 M209	G87-K211 CarbonylContact O-C 3.54Å; R174-K211 PolarHBondContact NH1-O 3.45Å; R174-K211 PolarHBondContact NH2-O 3.27Å; Q204-K211 WeakPolarHBondContact O-CE 3.15Å; Q204-K211 PolarHBondContact O-NZ 3.47Å; E205-K211 IonicContact OE1-NZ 3.81Å; E205-K211 IonicContact OE2-NZ 3.94Å; E205-K211 PolarHBondContact OE2-NZ 3.14Å; P208-K211 HydrophobicContact CB-CG 3.97Å; M209-K211 PolarHBondContact O-N 2.99Å; M209-K211 VanDerWaalsContact O-N 3.1Å
212	E	93.9	Very high	96.6	Very high	143 Å²	143	43.6 Å²	43.6	67%	0.668	22%	0.219	S	C	*	.			trans	-57.1	152.3	179.7	-64	-174	172.2	0	0	112.2
213	S	95.6	Very high	96.5	Very high	14 Å²	14	47.2 Å²	47.2	10%	0.098	24%	0.236	C	C	.	.			trans	-119.2	137.9	179.5	-55.7	0	0	0	0	110.3	Y91 Y264	Y91-S213 WeakPolarHBondContact CE2-OG 3.48Å; S213-Y264 WeakPolarHBondContact O-CE2 3.16Å; S213-Y264 PolarHBondContact O-OH 3.47Å
214	D	91.9	Very high	96.6	Very high	88 Å²	88	43.5 Å²	43.5	47%	0.471	22%	0.222	S	C	.	.			trans	-129.4	-172.3	-179.8	-165.7	11.3	0	0	0	110.4	I216 H217 I218	D214-I216 PolarHBondContact O-N 3.08Å; D214-I216 VanDerWaalsContact O-N 3.11Å; D214-H217 PolarHBondContact N-ND1 2.82Å; D214-H217 WeakPolarHBondContact O-CB 3.3Å; D214-H217 PolarHBondContact O-N 2.99Å; D214-I218 WeakPolarHBondContact O-CG1 3.4Å; D214-I218 PolarHBondContact O-N 3.07Å; D214-I218 VanDerWaalsContact O-N 3.15Å
215	H	93.8	Very high	96.6	Very high	64 Å²	64	39.4 Å²	39.4	30%	0.296	20%	0.203	S	C	.	.	H	α-helix	trans	-45	-43.3	-179.9	-83.3	154.7	0	0	0	114.2	H217 I218 I219 Y233 F247	H215-H217 VanDerWaalsContact C-N 3.31Å; H215-H217 PolarHBondContact O-N 3.32Å; H215-I218 PolarHBondContact O-N 2.9Å; H215-I219 VanDerWaalsContact O-CG1 3.31Å; H215-I219 WeakPolarHBondContact O-CG1 3.36Å; H215-I219 PolarHBondContact O-N 3.3Å; H215-Y233 AromaticContact CD2-CZ 3.86Å; H215-Y233 PolarHBondContact CD2-OH 3.34Å; H215-Y233 AromaticContact NE2-CE1 3.92Å; H215-Y233 AromaticContact NE2-CE2 3.84Å; H215-Y233 AromaticContact NE2-CZ 3.27Å; H215-Y233 VanDerWaalsContact NE2-CZ 3.27Å; H215-Y233 PolarHBondContact NE2-OH 3.48Å; H215-F247 AromaticContact CD2-CE1 3.98Å; H215-F247 AromaticContact CD2-CZ 3.38Å; H215-F247 WeakPolarHBondContact CD2-CZ 3.43Å; H215-F247 AromaticContact NE2-CZ 3.6Å
216	I	96.1	Very high	96.6	Very high	25 Å²	25	41.9 Å²	41.9	13%	0.128	22%	0.218	C	C	.	.	H	α-helix	trans	-61.6	-39.6	-178.9	-169.7	167.7	0	0	0	111.9	L181 F188 F191 I192 F201 D214 A220	L181-I216 HydrophobicContact CD2-CD1 4.09Å; L181-I216 HydrophobicContact CD2-CG1 3.71Å; F188-I216 HydrophobicContact CD1-CD1 3.95Å; F188-I216 HydrophobicContact CD1-CG1 3.81Å; F188-I216 HydrophobicContact CE1-CG1 4.07Å; F191-I216 HydrophobicContact CB-CD1 4.41Å; I192-I216 HydrophobicContact CG1-CD1 4.12Å; F201-I216 HydrophobicContact CE1-CD1 4.08Å; F201-I216 HydrophobicContact CE1-CG2 4.09Å; F201-I216 HydrophobicContact CZ-CD1 4.4Å; F201-I216 HydrophobicContact CZ-CG2 3.77Å; D214-I216 PolarHBondContact O-N 3.08Å; D214-I216 VanDerWaalsContact O-N 3.11Å; I216-A220 VanDerWaalsContact O-CB 3.3Å; I216-A220 WeakPolarHBondContact O-CB 3.48Å; I216-A220 PolarHBondContact O-N 3.31Å; I216-A220 VanDerWaalsContact O-N 3.09Å
217	H	98.1	Very high	96.5	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-41.6	177.1	-51.6	83.6	0	0	0	111.3	F90 Y91 T177 E205 D214 H215 A220 L221	F90-H217 HydrophobicContact CE1-CB 4.42Å; Y91-H217 PolarHBondContact OH-CD2 3.38Å; T177-H217 HydrophobicContact CG2-CB 4.27Å; E205-H217 PolarHBondContact O-NE2 3.23Å; D214-H217 PolarHBondContact N-ND1 2.82Å; D214-H217 WeakPolarHBondContact O-CB 3.3Å; D214-H217 PolarHBondContact O-N 2.99Å; H215-H217 VanDerWaalsContact C-N 3.31Å; H215-H217 PolarHBondContact O-N 3.32Å; H217-A220 PolarHBondContact O-N 2.93Å; H217-L221 WeakPolarHBondContact O-CB 3.33Å; H217-L221 PolarHBondContact O-N 2.92Å
218	I	97.9	Very high	96.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-50.1	178.9	-57.2	164.1	0	0	0	110.4	F90 D214 H215 A220 L221 A222 I229 V231 F247 Y264	F90-I218 HydrophobicContact CD2-CG1 4.02Å; F90-I218 HydrophobicContact CE1-CG1 4.41Å; F90-I218 HydrophobicContact CE2-CB 4.23Å; F90-I218 HydrophobicContact CE2-CG1 3.61Å; F90-I218 HydrophobicContact CE2-CG2 4.2Å; F90-I218 HydrophobicContact CZ-CB 4.13Å; F90-I218 HydrophobicContact CZ-CG1 3.83Å; F90-I218 HydrophobicContact CZ-CG2 4.32Å; D214-I218 WeakPolarHBondContact O-CG1 3.4Å; D214-I218 PolarHBondContact O-N 3.07Å; D214-I218 VanDerWaalsContact O-N 3.15Å; H215-I218 PolarHBondContact O-N 2.9Å; I218-A220 PolarHBondContact O-N 3.15Å; I218-L221 PolarHBondContact O-N 3.44Å; I218-A222 WeakPolarHBondContact O-CB 3.39Å; I218-A222 PolarHBondContact O-N 3.46Å; I218-I229 HydrophobicContact CG2-CB 4.49Å; I218-I229 HydrophobicContact CG2-CD1 4.01Å; I218-I229 HydrophobicContact CG2-CG2 4.39Å; I218-V231 HydrophobicContact CD1-CG2 4.21Å; I218-V231 HydrophobicContact CG2-CG2 4.49Å; I218-F247 HydrophobicContact CG2-CB 4.23Å; I218-F247 HydrophobicContact CG2-CD2 3.59Å; I218-F247 HydrophobicContact CG2-CE2 4.1Å; I218-F247 HydrophobicContact CG2-CG 3.92Å; I218-Y264 HydrophobicContact CD1-CE1 4Å; I218-Y264 WeakPolarHBondContact CD1-OH 3.48Å
219	I	97.1	Very high	96.5	Very high	51 Å²	51	38.3 Å²	38.3	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-60	-49.1	179.5	-68.9	165.5	0	0	0	110.2	F188 H215 L221 A222 Q223 F247	F188-I219 HydrophobicContact CE1-CG2 4.32Å; F188-I219 HydrophobicContact CZ-CG2 4.25Å; H215-I219 VanDerWaalsContact O-CG1 3.31Å; H215-I219 WeakPolarHBondContact O-CG1 3.36Å; H215-I219 PolarHBondContact O-N 3.3Å; I219-L221 PolarHBondContact O-N 3.44Å; I219-A222 PolarHBondContact O-N 3.46Å; I219-Q223 HydrophobicContact CG2-CG 4.32Å; I219-Q223 WeakPolarHBondContact O-CB 3.36Å; I219-Q223 WeakPolarHBondContact O-CG 3.36Å; I219-Q223 PolarHBondContact O-N 2.99Å; I219-F247 HydrophobicContact CD1-CD1 4.26Å; I219-F247 HydrophobicContact CD1-CE1 4.24Å; I219-F247 HydrophobicContact CG1-CD1 3.54Å; I219-F247 HydrophobicContact CG1-CE1 3.94Å; I219-F247 HydrophobicContact CG1-CG 4.43Å
220	A	98.2	Very high	96.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-45.1	-177.7	0	0	0	0	0	112	T177 Y180 L181 F188 I216 H217 I218 Q223 A224	T177-A220 HydrophobicContact CG2-CB 3.8Å; Y180-A220 HydrophobicContact CD1-CB 3.9Å; L181-A220 HydrophobicContact CD1-CB 4.41Å; L181-A220 HydrophobicContact CD2-CB 3.66Å; L181-A220 HydrophobicContact CG-CB 3.69Å; F188-A220 HydrophobicContact CZ-CB 4.31Å; I216-A220 VanDerWaalsContact O-CB 3.3Å; I216-A220 WeakPolarHBondContact O-CB 3.48Å; I216-A220 PolarHBondContact O-N 3.31Å; I216-A220 VanDerWaalsContact O-N 3.09Å; H217-A220 PolarHBondContact O-N 2.93Å; I218-A220 PolarHBondContact O-N 3.15Å; A220-Q223 PolarHBondContact O-N 3.47Å; A220-A224 WeakPolarHBondContact O-CB 3.39Å; A220-A224 PolarHBondContact O-N 3.24Å
221	L	98.6	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-43.3	179.4	-172.9	60.4	0	0	0	112.4	F90 Y91 F94 L173 L176 H217 I218 I219 Q223 A224 L225	F90-L221 HydrophobicContact CE1-CB 4.38Å; F90-L221 HydrophobicContact CE1-CD2 3.73Å; F90-L221 HydrophobicContact CZ-CB 4.38Å; F90-L221 HydrophobicContact CZ-CD2 3.85Å; Y91-L221 HydrophobicContact CD1-CD2 3.88Å; Y91-L221 HydrophobicContact CE1-CD2 4.11Å; F94-L221 HydrophobicContact CD1-CD2 3.53Å; F94-L221 HydrophobicContact CD1-CG 4.29Å; F94-L221 HydrophobicContact CE1-CD2 3.79Å; F94-L221 HydrophobicContact CE1-CG 4.05Å; F94-L221 HydrophobicContact CG-CD2 3.94Å; F94-L221 HydrophobicContact CZ-CD2 4.39Å; F94-L221 HydrophobicContact CZ-CG 4.32Å; L173-L221 HydrophobicContact CB-CD1 4.38Å; L173-L221 HydrophobicContact CB-CD2 4.45Å; L173-L221 HydrophobicContact CD2-CD1 4.09Å; L176-L221 HydrophobicContact CB-CD1 4.31Å; H217-L221 WeakPolarHBondContact O-CB 3.33Å; H217-L221 PolarHBondContact O-N 2.92Å; I218-L221 PolarHBondContact O-N 3.44Å; I219-L221 PolarHBondContact O-N 3.44Å; L221-Q223 VanDerWaalsContact C-N 3.31Å; L221-Q223 PolarHBondContact O-N 3.3Å; L221-A224 PolarHBondContact O-N 3.44Å; L221-L225 HydrophobicContact CD1-CD1 3.71Å; L221-L225 HydrophobicContact CD1-CG 4.32Å; L221-L225 HydrophobicContact CG-CD1 4.23Å; L221-L225 PolarHBondContact O-N 3.1Å; L221-L225 VanDerWaalsContact O-N 3.12Å
222	A	97.8	Very high	96.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-56.4	-46.1	176.2	0	0	0	0	0	111.4	I218 I219 N226 V227 I229 F247	I218-A222 WeakPolarHBondContact O-CB 3.39Å; I218-A222 PolarHBondContact O-N 3.46Å; I219-A222 PolarHBondContact O-N 3.46Å; A222-N226 VanDerWaalsContact O-CA 3.3Å; A222-N226 WeakPolarHBondContact O-CA 3.14Å; A222-N226 PolarHBondContact O-N 2.89Å; A222-V227 WeakPolarHBondContact CA-O 3.47Å; A222-V227 WeakPolarHBondContact CB-O 3.4Å; A222-V227 PolarHBondContact O-N 3.26Å; A222-I229 HydrophobicContact CB-CD1 3.87Å; A222-I229 HydrophobicContact CB-CG1 4.26Å; A222-F247 HydrophobicContact CB-CB 4.33Å
223	Q	97.1	Very high	96.9	Very high	76 Å²	76	24.7 Å²	24.7	36%	0.355	13%	0.131	S	C	.	.	H	α-helix	trans	-72.7	-37.1	178.8	-66.6	-76.4	-6.9	0	0	112.6	Y180 I219 A220 L221 L225 N226	Y180-Q223 HydrophobicContact CD1-CB 4.39Å; Y180-Q223 HydrophobicContact CD2-CB 4.15Å; Y180-Q223 HydrophobicContact CE1-CB 3.7Å; Y180-Q223 HydrophobicContact CE1-CG 4.3Å; Y180-Q223 HydrophobicContact CE2-CB 3.48Å; Y180-Q223 VanDerWaalsContact CE2-CB 3.48Å; Y180-Q223 VanDerWaalsContact OH-CB 3.3Å; Y180-Q223 WeakPolarHBondContact OH-CB 3.49Å; I219-Q223 HydrophobicContact CG2-CG 4.32Å; I219-Q223 WeakPolarHBondContact O-CB 3.36Å; I219-Q223 WeakPolarHBondContact O-CG 3.36Å; I219-Q223 PolarHBondContact O-N 2.99Å; A220-Q223 PolarHBondContact O-N 3.47Å; L221-Q223 VanDerWaalsContact C-N 3.31Å; L221-Q223 PolarHBondContact O-N 3.3Å; Q223-L225 VanDerWaalsContact C-N 3.28Å; Q223-L225 PolarHBondContact O-N 2.9Å; Q223-N226 PolarHBondContact O-N 3.12Å
224	A	97.6	Very high	96.8	Very high	23 Å²	23	24 Å²	24	19%	0.19	13%	0.127	C	C	.	.	H	α-helix	trans	-59.5	-39.9	177.9	0	0	0	0	0	112.6	Y180 A220 L221	Y180-A224 HydrophobicContact CD2-CB 3.88Å; Y180-A224 HydrophobicContact CG-CB 4.12Å; A220-A224 WeakPolarHBondContact O-CB 3.39Å; A220-A224 PolarHBondContact O-N 3.24Å; L221-A224 PolarHBondContact O-N 3.44Å
225	L	97.3	Very high	96.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-99.3	-6.4	-176.8	-68.2	173	0	0	0	113.5	F94 R111 F112 V115 L173 L176 L221 Q223 V227	F94-L225 HydrophobicContact CE1-CD1 3.54Å; F94-L225 HydrophobicContact CZ-CD1 3.71Å; R111-L225 PolarHBondContact NH1-O 3.35Å; F112-L225 HydrophobicContact CE2-CB 3.91Å; F112-L225 HydrophobicContact CE2-CD1 4.01Å; F112-L225 HydrophobicContact CE2-CD2 3.95Å; F112-L225 HydrophobicContact CE2-CG 4.18Å; F112-L225 HydrophobicContact CZ-CD1 4.05Å; F112-L225 HydrophobicContact CZ-CD2 4.08Å; V115-L225 HydrophobicContact CG1-CD2 4.32Å; L173-L225 HydrophobicContact CD2-CD1 4.03Å; L176-L225 HydrophobicContact CD1-CD1 4.48Å; L176-L225 HydrophobicContact CD1-CD2 3.94Å; L176-L225 HydrophobicContact CD1-CG 4.44Å; L221-L225 HydrophobicContact CD1-CD1 3.71Å; L221-L225 HydrophobicContact CD1-CG 4.32Å; L221-L225 HydrophobicContact CG-CD1 4.23Å; L221-L225 PolarHBondContact O-N 3.1Å; L221-L225 VanDerWaalsContact O-N 3.12Å; Q223-L225 VanDerWaalsContact C-N 3.28Å; Q223-L225 PolarHBondContact O-N 2.9Å; L225-V227 HydrophobicContact CB-CG2 3.92Å
226	N	95.9	Very high	96.4	Very high	105 Å²	105	27.1 Å²	27.1	56%	0.561	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	57.8	-172	-173.9	52.2	0	0	0	110.9	R111 A222 Q223	R111-N226 PolarHBondContact NH2-O 2.91Å; A222-N226 VanDerWaalsContact O-CA 3.3Å; A222-N226 WeakPolarHBondContact O-CA 3.14Å; A222-N226 PolarHBondContact O-N 2.89Å; Q223-N226 PolarHBondContact O-N 3.12Å
227	V	96.7	Very high	95.6	Very high	6 Å²	6	27 Å²	27	4%	0.036	14%	0.138	C	C	.	.			trans	-128	137	-179.3	175.9	0	0	0	0	109.2	F94 H98 F112 A222 L225 V255	F94-V227 HydrophobicContact CE2-CB 4.31Å; F94-V227 HydrophobicContact CE2-CG1 3.92Å; F94-V227 HydrophobicContact CZ-CB 4.31Å; F94-V227 HydrophobicContact CZ-CG1 4.25Å; H98-V227 VanDerWaalsContact CE1-CG1 3.49Å; H98-V227 WeakPolarHBondContact CE1-CG1 3.22Å; H98-V227 VanDerWaalsContact CE1-CG2 3.46Å; H98-V227 WeakPolarHBondContact CE1-CG2 3.08Å; H98-V227 WeakPolarHBondContact ND1-CG1 3.24Å; H98-V227 WeakPolarHBondContact NE2-CG2 3.48Å; F112-V227 HydrophobicContact CD2-CG2 4Å; F112-V227 HydrophobicContact CE2-CG2 3.86Å; A222-V227 WeakPolarHBondContact CA-O 3.47Å; A222-V227 WeakPolarHBondContact CB-O 3.4Å; A222-V227 PolarHBondContact O-N 3.26Å; L225-V227 HydrophobicContact CB-CG2 3.92Å; V227-V255 HydrophobicContact CG1-CG2 4.23Å
228	S	97	Very high	94.5	Very high	20 Å²	20	35.9 Å²	35.9	14%	0.14	18%	0.179	C	C	.	.			trans	-90.6	127	177.9	53.9	0	0	0	0	112	F247 S251 E252 P253 R254 V255	S228-F247 CarbonylContact C-O 3.5Å; S228-F247 VanDerWaalsContact CA-O 3.29Å; S228-F247 WeakPolarHBondContact CA-O 3.27Å; S228-S251 VanDerWaalsContact CB-OG 3.22Å; S228-S251 WeakPolarHBondContact CB-OG 3.37Å; S228-E252 VanDerWaalsContact CB-O 3.31Å; S228-E252 WeakPolarHBondContact CB-O 3.4Å; S228-E252 PolarHBondContact OG-O 3.1Å; S228-P253 WeakPolarHBondContact OG-CA 3.4Å; S228-R254 PolarHBondContact O-N 3.07Å; S228-R254 VanDerWaalsContact O-N 3.13Å; S228-R254 PolarHBondContact OG-N 3.39Å; S228-V255 PolarHBondContact O-N 3.46Å
229	I	98.3	Very high	93.6	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.1	-178	-51.3	173.2	0	0	0	108.5	F90 F94 I218 A222 V231 V246 F247 V255 L257	F90-I229 HydrophobicContact CZ-CD1 4.5Å; F94-I229 HydrophobicContact CD2-CD1 3.43Å; F94-I229 VanDerWaalsContact CD2-CD1 3.43Å; F94-I229 HydrophobicContact CD2-CG1 3.95Å; F94-I229 HydrophobicContact CE2-CD1 3.49Å; F94-I229 VanDerWaalsContact CE2-CD1 3.49Å; F94-I229 HydrophobicContact CE2-CG1 3.83Å; I218-I229 HydrophobicContact CG2-CB 4.49Å; I218-I229 HydrophobicContact CG2-CD1 4.01Å; I218-I229 HydrophobicContact CG2-CG2 4.39Å; A222-I229 HydrophobicContact CB-CD1 3.87Å; A222-I229 HydrophobicContact CB-CG1 4.26Å; I229-V231 HydrophobicContact CG2-CG2 3.94Å; I229-V246 CarbonylContact O-C 3.52Å; I229-V246 WeakPolarHBondContact O-CA 3.32Å; I229-F247 PolarHBondContact N-O 3.07Å; I229-F247 PolarHBondContact O-N 2.94Å; I229-V255 HydrophobicContact CG1-CB 4.41Å; I229-V255 HydrophobicContact CG2-CB 4.44Å; I229-V255 HydrophobicContact CG2-CG1 4.25Å; I229-L257 HydrophobicContact CG2-CD1 4.01Å; I229-L257 HydrophobicContact CG2-CG 4.26Å
230	L	98.1	Very high	92.7	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.6	164.3	-178.5	157.8	0	0	0	109	Y77 E232 H244 H245 V246 P253 V255 F256 L257	Y77-L230 WeakPolarHBondContact OH-CD2 3.38Å; L230-E232 HydrophobicContact CD2-CG 3.7Å; L230-H244 HydrophobicContact CD1-CB 4.47Å; L230-H244 HydrophobicContact CD2-CB 4.15Å; L230-H244 HydrophobicContact CG-CB 4.32Å; L230-H245 CarbonylContact C-O 3.29Å; L230-H245 WeakPolarHBondContact CA-O 3.29Å; L230-V246 HydrophobicContact CB-CG2 4.37Å; L230-V246 HydrophobicContact CD1-CG2 4Å; L230-V246 HydrophobicContact CG-CG2 4.19Å; L230-P253 HydrophobicContact CB-CB 3.52Å; L230-P253 HydrophobicContact CB-CG 3.82Å; L230-P253 HydrophobicContact CD1-CG 3.96Å; L230-V255 PolarHBondContact N-O 3Å; L230-F256 HydrophobicContact CB-CD1 4.1Å; L230-F256 HydrophobicContact CB-CE1 4.44Å; L230-F256 HydrophobicContact CD1-CD1 4.4Å; L230-F256 HydrophobicContact CD1-CE1 4.4Å; L230-F256 HydrophobicContact CD2-CD1 4.27Å; L230-F256 WeakPolarHBondContact O-CA 3.43Å; L230-L257 PolarHBondContact O-N 3.09Å
231	V	98.2	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.4	173.5	-174	0	0	0	0	109.3	I218 I229 Y233 H244 H245 F247 L257 Y264	I218-V231 HydrophobicContact CD1-CG2 4.21Å; I218-V231 HydrophobicContact CG2-CG2 4.49Å; I229-V231 HydrophobicContact CG2-CG2 3.94Å; V231-Y233 HydrophobicContact CB-CD2 4.25Å; V231-Y233 HydrophobicContact CB-CE2 3.56Å; V231-Y233 HydrophobicContact CG1-CD2 3.94Å; V231-Y233 HydrophobicContact CG1-CE1 4.49Å; V231-Y233 HydrophobicContact CG1-CE2 3.42Å; V231-Y233 VanDerWaalsContact CG1-CE2 3.42Å; V231-Y233 WeakPolarHBondContact O-CD2 3.47Å; V231-H244 VanDerWaalsContact O-CA 3.28Å; V231-H244 WeakPolarHBondContact O-CA 3.28Å; V231-H245 PolarHBondContact N-O 3.45Å; V231-H245 PolarHBondContact O-N 3.03Å; V231-F247 HydrophobicContact CB-CE2 4.29Å; V231-F247 HydrophobicContact CG2-CD2 4.24Å; V231-F247 HydrophobicContact CG2-CE2 3.99Å; V231-L257 WeakPolarHBondContact CA-O 3.45Å; V231-L257 HydrophobicContact CG2-CB 4.3Å; V231-Y264 HydrophobicContact CG1-CE1 4.11Å
232	E	97.6	Very high	92	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.019	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.3	170.3	-67.4	-76.3	172.5	0	0	108.8	L73 K76 Y77 L230 V242 N243 L257 L258 Y259 L267	L73-E232 HydrophobicContact CD1-CB 4.06Å; L73-E232 HydrophobicContact CD1-CG 3.93Å; K76-E232 IonicContact NZ-OE1 2.67Å; K76-E232 PolarHBondContact NZ-OE1 2.95Å; K76-E232 IonicContact NZ-OE2 3.66Å; K76-E232 PolarHBondContact NZ-OE2 2.85Å; Y77-E232 HydrophobicContact CE2-CG 3.58Å; Y77-E232 VanDerWaalsContact CE2-OE1 3.25Å; Y77-E232 WeakPolarHBondContact CE2-OE1 3.4Å; Y77-E232 PolarHBondContact OH-OE1 3.31Å; L230-E232 HydrophobicContact CD2-CG 3.7Å; E232-V242 HydrophobicContact CB-CG1 3.74Å; E232-V242 WeakPolarHBondContact OE2-CG1 3.37Å; E232-N243 CarbonylContact C-O 3.37Å; E232-N243 WeakPolarHBondContact CA-O 3.47Å; E232-L257 PolarHBondContact N-O 3.42Å; E232-L258 HydrophobicContact CB-CD1 4.25Å; E232-Y259 PolarHBondContact O-N 3.12Å; E232-L267 HydrophobicContact CB-CD1 3.92Å; E232-L267 HydrophobicContact CG-CD1 3.71Å
233	Y	95.4	Very high	91.7	Very high	19 Å²	19	43.9 Å²	43.9	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	101.1	-178.6	-74.9	-100.5	0	0	0	110.5	H215 V231 D235 V242 N243 H245 Y259	H215-Y233 AromaticContact CD2-CZ 3.86Å; H215-Y233 PolarHBondContact CD2-OH 3.34Å; H215-Y233 AromaticContact NE2-CE1 3.92Å; H215-Y233 AromaticContact NE2-CE2 3.84Å; H215-Y233 AromaticContact NE2-CZ 3.27Å; H215-Y233 VanDerWaalsContact NE2-CZ 3.27Å; H215-Y233 PolarHBondContact NE2-OH 3.48Å; V231-Y233 HydrophobicContact CB-CD2 4.25Å; V231-Y233 HydrophobicContact CB-CE2 3.56Å; V231-Y233 HydrophobicContact CG1-CD2 3.94Å; V231-Y233 HydrophobicContact CG1-CE1 4.49Å; V231-Y233 HydrophobicContact CG1-CE2 3.42Å; V231-Y233 VanDerWaalsContact CG1-CE2 3.42Å; V231-Y233 WeakPolarHBondContact O-CD2 3.47Å; Y233-D235 PolarHBondContact O-N 2.82Å; Y233-V242 WeakPolarHBondContact O-CG1 3.42Å; Y233-N243 PolarHBondContact N-O 3.25Å; Y233-H245 AromaticContact CD2-CD2 3.51Å; Y233-H245 HydrophobicContact CE2-CB 4.12Å; Y233-H245 AromaticContact CE2-CD2 3.49Å; Y233-H245 VanDerWaalsContact CE2-CD2 3.49Å; Y233-H245 WeakPolarHBondContact CE2-CD2 3.42Å; Y233-Y259 AromaticContact CD1-CD1 3.33Å; Y233-Y259 HydrophobicContact CD1-CD1 3.33Å; Y233-Y259 HydrophobicContact CD1-CE1 4.02Å; Y233-Y259 AromaticContact CD1-CG 3.85Å; Y233-Y259 HydrophobicContact CD1-CG 3.85Å; Y233-Y259 AromaticContact CE1-CD1 3.67Å; Y233-Y259 HydrophobicContact CE1-CD1 3.67Å; Y233-Y259 HydrophobicContact CE1-CE1 4.24Å; Y233-Y259 AromaticContact CE1-CG 3.81Å; Y233-Y259 HydrophobicContact CE1-CG 3.81Å; Y233-Y259 HydrophobicContact CG-CD1 4.24Å
234	M	94.6	Very high	91.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.253	C	S	.	.			trans	-96.7	85.2	175.8	-169.2	177.2	81.8	0	0	110	Y59 Y66 K69 I70 V242 L258 Y259 R260	Y59-M234 HydrophobicContact CE1-CE 4.48Å; Y59-M234 HydrophobicContact CE2-CE 3.65Å; Y59-M234 WeakPolarHBondContact OH-CE 3.25Å; Y66-M234 HydrophobicContact CD1-CE 3.84Å; Y66-M234 HydrophobicContact CD1-CG 3.9Å; Y66-M234 HydrophobicContact CD1-SD 4.23Å; Y66-M234 HydrophobicContact CE1-CE 4.11Å; Y66-M234 HydrophobicContact CE1-CG 4.03Å; Y66-M234 WeakPolarHBondContact CE1-O 3.42Å; K69-M234 HydrophobicContact CB-CG 4Å; K69-M234 HydrophobicContact CB-SD 4.45Å; K69-M234 HydrophobicContact CD-CG 4.26Å; I70-M234 HydrophobicContact CG1-CE 4.35Å; I70-M234 HydrophobicContact CG1-SD 3.72Å; M234-V242 HydrophobicContact CB-CG1 4.4Å; M234-L258 HydrophobicContact CB-CD1 3.81Å; M234-Y259 PolarHBondContact N-O 3.23Å; M234-R260 HydrophobicContact CE-CG 3.91Å
235	D	89.6	Confident	91.5	Very high	50 Å²	50	48.2 Å²	48.2	27%	0.267	26%	0.263	S	S	.	.	S	Bend	trans	-117.2	-174.7	178.2	65.6	5.2	0	0	0	112.2	K69 Y233 G237	K69-D235 WeakPolarHBondContact CD-O 3.47Å; K69-D235 WeakPolarHBondContact CE-O 3.5Å; K69-D235 PolarHBondContact NZ-O 3.39Å; K69-D235 IonicContact NZ-OD1 3.44Å; K69-D235 PolarHBondContact NZ-OD1 3.44Å; Y233-D235 PolarHBondContact O-N 2.82Å; D235-G237 PolarHBondContact O-N 2.79Å; D235-G237 WeakPolarHBondContact OD1-CA 3.37Å; D235-G237 PolarHBondContact OD1-N 3.46Å
236	R	86.6	Confident	91.5	Very high	166 Å²	166	49.6 Å²	49.6	63%	0.626	27%	0.271	S	S	*	.	S	Bend	trans	-84.8	18.3	172.3	-71	-169.5	165.7	-173.7	-2.2	113.9	D63 Y66	D63-R236 IonicContact OD2-CZ 2.81Å; D63-R236 IonicContact OD2-NH2 3.37Å; D63-R236 PolarHBondContact OD2-NH2 2.82Å; Y66-R236 HydrophobicContact CE2-CG 3.83Å
237	G	79.9	Confident	91.5	Very high	23 Å²	23	45.5 Å²	45.5	24%	0.237	25%	0.249	C	C	.	.			trans	-58.6	154.2	175	0	0	0	0	0	111.9	K69 D235	K69-G237 PolarHBondContact NZ-O 2.99Å; D235-G237 PolarHBondContact O-N 2.79Å; D235-G237 WeakPolarHBondContact OD1-CA 3.37Å; D235-G237 PolarHBondContact OD1-N 3.46Å
238	E	75.7	Confident	91.3	Very high	195 Å²	195	47.1 Å²	47.1	91%	0.911	26%	0.259	S	S	*	.	S	Bend	trans	-57.2	141.5	-175.7	-64.8	-173.7	170.8	0	0	112.5
239	G	78.2	Confident	91	Very high	53 Å²	53	55.1 Å²	55.1	55%	0.546	29%	0.294	S	S	.	.	S	Bend	trans	94.9	168.5	179.6	0	0	0	0	0	114.7
240	G	78.9	Confident	90.6	Very high	32 Å²	32	59 Å²	59	33%	0.33	33%	0.334	S	S	.	.	S	Bend	trans	-93.7	2.2	179.6	0	0	0	0	0	114.4	L68 K69	L68-G240 CarbonylContact C-O 3.59Å; K69-G240 WeakPolarHBondContact CA-O 3.43Å
241	S	88.3	Confident	90.4	Very high	55 Å²	55	60.2 Å²	60.2	39%	0.385	34%	0.344	S	S	.	.	S	Bend	trans	-99.3	151.3	-177.3	51.1	0	0	0	0	112.3	K69 D72	K69-S241 PolarHBondContact NZ-O 2.71Å; D72-S241 WeakPolarHBondContact OD2-CA 3.34Å
242	V	92.3	Very high	90.2	Very high	6 Å²	6	68.6 Å²	68.6	4%	0.036	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-87	124.5	172.4	-172.4	0	0	0	0	108.8	K69 D72 L73 K76 E232 Y233 M234	K69-V242 HydrophobicContact CB-CG2 3.81Å; K69-V242 HydrophobicContact CG-CG2 4.29Å; K69-V242 VanDerWaalsContact O-CG2 3.27Å; K69-V242 WeakPolarHBondContact O-CG2 3.33Å; D72-V242 PolarHBondContact OD2-N 3.48Å; D72-V242 VanDerWaalsContact OD2-N 3.16Å; L73-V242 HydrophobicContact CB-CG2 4.27Å; L73-V242 HydrophobicContact CD1-CG1 4.39Å; L73-V242 HydrophobicContact CD1-CG2 4.37Å; K76-V242 PolarHBondContact NZ-O 3.37Å; E232-V242 HydrophobicContact CB-CG1 3.74Å; E232-V242 WeakPolarHBondContact OE2-CG1 3.37Å; Y233-V242 WeakPolarHBondContact O-CG1 3.42Å; M234-V242 HydrophobicContact CB-CG1 4.4Å
243	N	92.4	Very high	90.1	Very high	73 Å²	73	69.7 Å²	69.7	39%	0.39	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	148.3	175	-67.4	-32.3	0	0	0	108.9	E232 Y233	E232-N243 CarbonylContact C-O 3.37Å; E232-N243 WeakPolarHBondContact CA-O 3.47Å; Y233-N243 PolarHBondContact N-O 3.25Å
244	H	94	Very high	90	Very high	104 Å²	104	72.4 Å²	72.4	48%	0.481	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	147.9	175.5	70.7	-79	0	0	0	110.7	L230 V231	L230-H244 HydrophobicContact CD1-CB 4.47Å; L230-H244 HydrophobicContact CD2-CB 4.15Å; L230-H244 HydrophobicContact CG-CB 4.32Å; V231-H244 VanDerWaalsContact O-CA 3.28Å; V231-H244 WeakPolarHBondContact O-CA 3.28Å
245	H	96.1	Very high	90.1	Very high	86 Å²	86	72.4 Å²	72.4	40%	0.398	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.8	171.1	-66.6	-77.3	0	0	0	109.3	L230 V231 Y233 F247	L230-H245 CarbonylContact C-O 3.29Å; L230-H245 WeakPolarHBondContact CA-O 3.29Å; V231-H245 PolarHBondContact N-O 3.45Å; V231-H245 PolarHBondContact O-N 3.03Å; Y233-H245 AromaticContact CD2-CD2 3.51Å; Y233-H245 HydrophobicContact CE2-CB 4.12Å; Y233-H245 AromaticContact CE2-CD2 3.49Å; Y233-H245 VanDerWaalsContact CE2-CD2 3.49Å; Y233-H245 WeakPolarHBondContact CE2-CD2 3.42Å; H245-F247 HydrophobicContact CB-CE1 4.26Å; H245-F247 HydrophobicContact CB-CE2 3.56Å; H245-F247 HydrophobicContact CB-CZ 3.39Å
246	V	97	Very high	90.5	Very high	30 Å²	30	71.3 Å²	71.3	18%	0.182	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.1	176.9	-172.2	0	0	0	0	108.7	I229 L230 P248 E249 S251 P253	I229-V246 CarbonylContact O-C 3.52Å; I229-V246 WeakPolarHBondContact O-CA 3.32Å; L230-V246 HydrophobicContact CB-CG2 4.37Å; L230-V246 HydrophobicContact CD1-CG2 4Å; L230-V246 HydrophobicContact CG-CG2 4.19Å; V246-P248 CarbonylContact O-C 3.59Å; V246-P248 VanDerWaalsContact O-C 3.29Å; V246-E249 WeakPolarHBondContact O-CA 3.39Å; V246-E249 PolarHBondContact O-N 3.23Å; V246-S251 WeakPolarHBondContact CG1-OG 3.41Å; V246-P253 HydrophobicContact CG1-CB 4.42Å
247	F	95.6	Very high	91.1	Very high	20 Å²	20	63.4 Å²	63.4	9%	0.088	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	116.1	-177.7	-54.2	-78.1	0	0	0	109.3	H215 I218 I219 A222 S228 I229 V231 H245	H215-F247 AromaticContact CD2-CE1 3.98Å; H215-F247 AromaticContact CD2-CZ 3.38Å; H215-F247 WeakPolarHBondContact CD2-CZ 3.43Å; H215-F247 AromaticContact NE2-CZ 3.6Å; I218-F247 HydrophobicContact CG2-CB 4.23Å; I218-F247 HydrophobicContact CG2-CD2 3.59Å; I218-F247 HydrophobicContact CG2-CE2 4.1Å; I218-F247 HydrophobicContact CG2-CG 3.92Å; I219-F247 HydrophobicContact CD1-CD1 4.26Å; I219-F247 HydrophobicContact CD1-CE1 4.24Å; I219-F247 HydrophobicContact CG1-CD1 3.54Å; I219-F247 HydrophobicContact CG1-CE1 3.94Å; I219-F247 HydrophobicContact CG1-CG 4.43Å; A222-F247 HydrophobicContact CB-CB 4.33Å; S228-F247 CarbonylContact C-O 3.5Å; S228-F247 VanDerWaalsContact CA-O 3.29Å; S228-F247 WeakPolarHBondContact CA-O 3.27Å; I229-F247 PolarHBondContact N-O 3.07Å; I229-F247 PolarHBondContact O-N 2.94Å; V231-F247 HydrophobicContact CB-CE2 4.29Å; V231-F247 HydrophobicContact CG2-CD2 4.24Å; V231-F247 HydrophobicContact CG2-CE2 3.99Å; H245-F247 HydrophobicContact CB-CE1 4.26Å; H245-F247 HydrophobicContact CB-CE2 3.56Å; H245-F247 HydrophobicContact CB-CZ 3.39Å
248	P	93.9	Very high	92	Very high	39 Å²	39	62.3 Å²	62.3	25%	0.253	35%	0.353	S	S	.	.	S	Bend	cis	-67.3	155.4	-8.8	-17.3	32.6	0	0	0	112.9	V246 S251	V246-P248 CarbonylContact O-C 3.59Å; V246-P248 VanDerWaalsContact O-C 3.29Å; P248-S251 WeakPolarHBondContact O-CB 3.49Å; P248-S251 PolarHBondContact O-N 3.17Å; P248-S251 PolarHBondContact O-OG 3.46Å
249	E	91	Very high	93	Very high	188 Å²	188	55.4 Å²	55.4	88%	0.879	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	139.4	-179.8	-168.4	175.2	-174.5	0	0	111.6	V246 S251	V246-E249 WeakPolarHBondContact O-CA 3.39Å; V246-E249 PolarHBondContact O-N 3.23Å; E249-S251 PolarHBondContact O-N 3.3Å
250	G	89.6	Confident	93.8	Very high	82 Å²	82	54.1 Å²	54.1	85%	0.845	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	0.3	-179.4	0	0	0	0	0	115.5
251	S	93	Very high	94.4	Very high	40 Å²	40	56.5 Å²	56.5	28%	0.28	31%	0.307	S	S	.	.	S	Bend	trans	-78.4	160.8	172.7	68.5	0	0	0	0	112.3	S228 V246 P248 E249 P253	S228-S251 VanDerWaalsContact CB-OG 3.22Å; S228-S251 WeakPolarHBondContact CB-OG 3.37Å; V246-S251 WeakPolarHBondContact CG1-OG 3.41Å; P248-S251 WeakPolarHBondContact O-CB 3.49Å; P248-S251 PolarHBondContact O-N 3.17Å; P248-S251 PolarHBondContact O-OG 3.46Å; E249-S251 PolarHBondContact O-N 3.3Å; S251-P253 WeakPolarHBondContact O-CD 3.21Å
252	E	94	Very high	94.5	Very high	176 Å²	176	55.7 Å²	55.7	82%	0.822	31%	0.308	S	S	*	.			trans	-88.4	112.5	171.4	-173.6	171.8	-174.3	0	0	109.1	S228	S228-E252 VanDerWaalsContact CB-O 3.31Å; S228-E252 WeakPolarHBondContact CB-O 3.4Å; S228-E252 PolarHBondContact OG-O 3.1Å
253	P	95.1	Very high	94.7	Very high	27 Å²	27	56.3 Å²	56.3	18%	0.175	31%	0.31	C	S	.	.			trans	-71	134.8	-172.5	28	-35	0	0	0	112.5	S228 L230 V246 S251 F256	S228-P253 WeakPolarHBondContact OG-CA 3.4Å; L230-P253 HydrophobicContact CB-CB 3.52Å; L230-P253 HydrophobicContact CB-CG 3.82Å; L230-P253 HydrophobicContact CD1-CG 3.96Å; V246-P253 HydrophobicContact CG1-CB 4.42Å; S251-P253 WeakPolarHBondContact O-CD 3.21Å; P253-F256 HydrophobicContact CB-CE1 4.05Å; P253-F256 HydrophobicContact CB-CZ 4.24Å; P253-F256 HydrophobicContact CG-CE1 3.65Å; P253-F256 HydrophobicContact CG-CZ 3.99Å; P253-F256 WeakPolarHBondContact O-CZ 3.44Å
254	R	93.6	Very high	94.9	Very high	75 Å²	75	53 Å²	53	28%	0.283	29%	0.292	S	S	.	.	S	Bend	trans	-99.1	-31.7	171.6	178	170.8	-83.6	-115.4	4.9	112.1	S101 D105 S228	S101-R254 PolarHBondContact O-NH1 3.48Å; S101-R254 VanDerWaalsContact OG-CD 3.29Å; S101-R254 WeakPolarHBondContact OG-CD 3.29Å; S101-R254 WeakPolarHBondContact OG-CG 3.43Å; D105-R254 IonicContact OD2-CZ 3.84Å; D105-R254 IonicContact OD2-NH1 3.35Å; D105-R254 IonicContact OD2-NH2 4Å; D105-R254 PolarHBondContact OD2-NH2 2.92Å; S228-R254 PolarHBondContact O-N 3.07Å; S228-R254 VanDerWaalsContact O-N 3.13Å; S228-R254 PolarHBondContact OG-N 3.39Å
255	V	97.6	Very high	95.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.3	178.7	176.7	0	0	0	0	109	F94 H98 V227 S228 I229 L230 L257	F94-V255 HydrophobicContact CD2-CG1 4.45Å; H98-V255 HydrophobicContact CB-CG2 3.83Å; V227-V255 HydrophobicContact CG1-CG2 4.23Å; S228-V255 PolarHBondContact O-N 3.46Å; I229-V255 HydrophobicContact CG1-CB 4.41Å; I229-V255 HydrophobicContact CG2-CB 4.44Å; I229-V255 HydrophobicContact CG2-CG1 4.25Å; L230-V255 PolarHBondContact N-O 3Å; V255-L257 HydrophobicContact CG1-CD1 4.43Å; V255-L257 HydrophobicContact CG1-CD2 3.78Å; V255-L257 HydrophobicContact CG1-CG 3.91Å
256	F	98.5	Very high	95.3	Very high	28 Å²	28	44 Å²	44	12%	0.123	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.1	179.3	-56.5	-91.1	0	0	0	108.9	Y77 L230 P253 L267 K269	Y77-F256 HydrophobicContact CE1-CB 3.96Å; Y77-F256 AromaticContact CE1-CD1 3.86Å; Y77-F256 HydrophobicContact CE1-CD1 3.86Å; Y77-F256 HydrophobicContact CE1-CG 4.05Å; L230-F256 HydrophobicContact CB-CD1 4.1Å; L230-F256 HydrophobicContact CB-CE1 4.44Å; L230-F256 HydrophobicContact CD1-CD1 4.4Å; L230-F256 HydrophobicContact CD1-CE1 4.4Å; L230-F256 HydrophobicContact CD2-CD1 4.27Å; L230-F256 WeakPolarHBondContact O-CA 3.43Å; P253-F256 HydrophobicContact CB-CE1 4.05Å; P253-F256 HydrophobicContact CB-CZ 4.24Å; P253-F256 HydrophobicContact CG-CE1 3.65Å; P253-F256 HydrophobicContact CG-CZ 3.99Å; P253-F256 WeakPolarHBondContact O-CZ 3.44Å; F256-L267 HydrophobicContact CB-CB 4.12Å; F256-L267 PolarHBondContact O-N 2.93Å; F256-K269 HydrophobicContact CZ-CD 4.4Å; F256-K269 VanDerWaalsContact CZ-CE 3.49Å
257	L	98.6	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	150.3	-179.4	-54.4	-178.2	0	0	0	110.6	F90 A93 I229 L230 V231 E232 V255 Y264 D265 I266	F90-L257 HydrophobicContact CD2-CD1 4.03Å; F90-L257 HydrophobicContact CE2-CD1 4.05Å; A93-L257 HydrophobicContact CB-CD2 3.88Å; I229-L257 HydrophobicContact CG2-CD1 4.01Å; I229-L257 HydrophobicContact CG2-CG 4.26Å; L230-L257 PolarHBondContact O-N 3.09Å; V231-L257 WeakPolarHBondContact CA-O 3.45Å; V231-L257 HydrophobicContact CG2-CB 4.3Å; E232-L257 PolarHBondContact N-O 3.42Å; V255-L257 HydrophobicContact CG1-CD1 4.43Å; V255-L257 HydrophobicContact CG1-CD2 3.78Å; V255-L257 HydrophobicContact CG1-CG 3.91Å; L257-Y264 HydrophobicContact CD1-CD1 4.44Å; L257-D265 CarbonylContact C-O 3.54Å; L257-D265 VanDerWaalsContact CA-O 3.26Å; L257-D265 WeakPolarHBondContact CA-O 3.21Å; L257-I266 HydrophobicContact CD2-CG1 4.16Å
258	L	98.4	Very high	95.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.4	167	178.1	64.8	0	0	0	108.3	L55 L73 I80 E232 M234 R260 Y264 D265 L267	L55-L258 HydrophobicContact CD1-CD2 3.7Å; L55-L258 HydrophobicContact CD2-CD2 4.5Å; L73-L258 HydrophobicContact CD2-CD1 3.87Å; L73-L258 HydrophobicContact CD2-CD2 4.27Å; I80-L258 HydrophobicContact CD1-CD2 3.96Å; E232-L258 HydrophobicContact CB-CD1 4.25Å; M234-L258 HydrophobicContact CB-CD1 3.81Å; L258-R260 HydrophobicContact CD2-CG 4.03Å; L258-R260 HydrophobicContact CG-CG 4Å; L258-Y264 VanDerWaalsContact O-CA 3.31Å; L258-Y264 WeakPolarHBondContact O-CA 3.45Å; L258-D265 HydrophobicContact CB-CB 4.37Å; L258-D265 PolarHBondContact N-O 3.37Å; L258-D265 PolarHBondContact O-N 3.15Å; L258-L267 HydrophobicContact CB-CD1 3.81Å; L258-L267 HydrophobicContact CB-CD2 3.98Å; L258-L267 HydrophobicContact CB-CG 3.75Å; L258-L267 HydrophobicContact CD1-CD1 4.45Å; L258-L267 HydrophobicContact CD2-CD2 4.46Å
259	Y	97.6	Very high	95.5	Very high	50 Å²	50	48.8 Å²	48.8	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.3	164	177.1	-97.7	0	0	0	110.1	E232 Y233 M234 G262 H263 Y264	E232-Y259 PolarHBondContact O-N 3.12Å; Y233-Y259 AromaticContact CD1-CD1 3.33Å; Y233-Y259 HydrophobicContact CD1-CD1 3.33Å; Y233-Y259 HydrophobicContact CD1-CE1 4.02Å; Y233-Y259 AromaticContact CD1-CG 3.85Å; Y233-Y259 HydrophobicContact CD1-CG 3.85Å; Y233-Y259 AromaticContact CE1-CD1 3.67Å; Y233-Y259 HydrophobicContact CE1-CD1 3.67Å; Y233-Y259 HydrophobicContact CE1-CE1 4.24Å; Y233-Y259 AromaticContact CE1-CG 3.81Å; Y233-Y259 HydrophobicContact CE1-CG 3.81Å; Y233-Y259 HydrophobicContact CG-CD1 4.24Å; M234-Y259 PolarHBondContact N-O 3.23Å; Y259-G262 PolarHBondContact OH-N 2.89Å; Y259-H263 WeakPolarHBondContact CA-O 3.17Å; Y259-Y264 HydrophobicContact CD2-CD1 4.21Å; Y259-Y264 HydrophobicContact CD2-CD2 4.31Å; Y259-Y264 AromaticContact CD2-CE1 3.65Å; Y259-Y264 HydrophobicContact CD2-CE1 3.65Å; Y259-Y264 AromaticContact CD2-CE2 3.76Å; Y259-Y264 HydrophobicContact CD2-CE2 3.76Å; Y259-Y264 AromaticContact CD2-CZ 3.41Å; Y259-Y264 VanDerWaalsContact CD2-CZ 3.41Å; Y259-Y264 HydrophobicContact CE2-CE2 4.07Å; Y259-Y264 AromaticContact CE2-CZ 3.96Å; Y259-Y264 HydrophobicContact CG-CE1 4.28Å
260	R	94.6	Very high	95.7	Very high	26 Å²	26	41.8 Å²	41.8	10%	0.098	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.6	163.3	-56.3	-175.8	-77.6	160.4	-0.7	106.5	E58 Y59 M234 L258 G262 H263 D265	E58-R260 IonicContact OE2-CZ 3.76Å; E58-R260 IonicContact OE2-NH1 3.4Å; E58-R260 PolarHBondContact OE2-NH1 3.48Å; E58-R260 IonicContact OE2-NH2 2.78Å; Y59-R260 WeakPolarHBondContact OH-CD 3.41Å; M234-R260 HydrophobicContact CE-CG 3.91Å; L258-R260 HydrophobicContact CD2-CG 4.03Å; L258-R260 HydrophobicContact CG-CG 4Å; R260-G262 PolarHBondContact O-N 2.97Å; R260-H263 PolarHBondContact N-O 3.33Å; R260-H263 PolarHBondContact NH2-CD2 3.49Å; R260-H263 PolarHBondContact O-N 3.19Å; R260-D265 IonicContact CZ-OD2 2.82Å; R260-D265 IonicContact NE-OD2 3.99Å; R260-D265 PolarHBondContact NE-OD2 2.64Å; R260-D265 IonicContact NH2-OD1 2.82Å; R260-D265 IonicContact NH2-OD2 2.93Å; R260-D265 PolarHBondContact NH2-OD2 3.37Å
261	P	90.7	Very high	96	Very high	81 Å²	81	39.7 Å²	39.7	53%	0.526	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	110.2	-177.3	-30.3	36	0	0	0	112.5
262	G	90.4	Very high	96.2	Very high	39 Å²	39	39.7 Å²	39.7	40%	0.402	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	8.5	-178.7	0	0	0	0	0	117.3	Y259 R260	Y259-G262 PolarHBondContact OH-N 2.89Å; R260-G262 PolarHBondContact O-N 2.97Å
263	H	96.3	Very high	96.3	Very high	19 Å²	19	31.6 Å²	31.6	9%	0.088	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.8	-173.5	-168.4	61.4	0	0	0	115	T83 Y259 R260 D265	T83-H263 PolarHBondContact O-CE1 3.06Å; T83-H263 PolarHBondContact O-NE2 3.1Å; T83-H263 PolarHBondContact OG1-CE1 3.4Å; Y259-H263 WeakPolarHBondContact CA-O 3.17Å; R260-H263 PolarHBondContact N-O 3.33Å; R260-H263 PolarHBondContact NH2-CD2 3.49Å; R260-H263 PolarHBondContact O-N 3.19Å; H263-D265 IonicContact CD2-OD1 3.59Å; H263-D265 IonicContact CD2-OD2 2.75Å; H263-D265 PolarHBondContact CD2-OD2 3.41Å; H263-D265 IonicContact NE2-OD1 3.56Å; H263-D265 PolarHBondContact NE2-OD1 3.26Å; H263-D265 VanDerWaalsContact NE2-OD1 3.17Å; H263-D265 IonicContact NE2-OD2 2.63Å
264	Y	98.3	Very high	96.4	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.012	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.5	178.1	-66	-94.5	0	0	0	112.2	T83 F90 S213 I218 V231 L257 L258 Y259	T83-Y264 PolarHBondContact OG1-O 3.2Å; F90-Y264 HydrophobicContact CB-CD2 3.71Å; F90-Y264 HydrophobicContact CB-CE2 3.99Å; F90-Y264 HydrophobicContact CB-CG 4.08Å; F90-Y264 HydrophobicContact CD2-CD1 4.38Å; F90-Y264 HydrophobicContact CD2-CE1 4.43Å; S213-Y264 WeakPolarHBondContact O-CE2 3.16Å; S213-Y264 PolarHBondContact O-OH 3.47Å; I218-Y264 HydrophobicContact CD1-CE1 4Å; I218-Y264 WeakPolarHBondContact CD1-OH 3.48Å; V231-Y264 HydrophobicContact CG1-CE1 4.11Å; L257-Y264 HydrophobicContact CD1-CD1 4.44Å; L258-Y264 VanDerWaalsContact O-CA 3.31Å; L258-Y264 WeakPolarHBondContact O-CA 3.45Å; Y259-Y264 HydrophobicContact CD2-CD1 4.21Å; Y259-Y264 HydrophobicContact CD2-CD2 4.31Å; Y259-Y264 AromaticContact CD2-CE1 3.65Å; Y259-Y264 HydrophobicContact CD2-CE1 3.65Å; Y259-Y264 AromaticContact CD2-CE2 3.76Å; Y259-Y264 HydrophobicContact CD2-CE2 3.76Å; Y259-Y264 AromaticContact CD2-CZ 3.41Å; Y259-Y264 VanDerWaalsContact CD2-CZ 3.41Å; Y259-Y264 HydrophobicContact CE2-CE2 4.07Å; Y259-Y264 AromaticContact CE2-CZ 3.96Å; Y259-Y264 HydrophobicContact CG-CE1 4.28Å
265	D	98.5	Very high	96.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	167.6	170.1	-58.3	-76.6	0	0	0	110.1	I80 K82 T83 L257 L258 R260 H263	I80-D265 HydrophobicContact CD1-CB 3.87Å; I80-D265 HydrophobicContact CG1-CB 4.04Å; K82-D265 WeakPolarHBondContact CA-OD1 3.49Å; K82-D265 WeakPolarHBondContact CB-OD1 2.99Å; T83-D265 PolarHBondContact N-OD1 3.41Å; L257-D265 CarbonylContact C-O 3.54Å; L257-D265 VanDerWaalsContact CA-O 3.26Å; L257-D265 WeakPolarHBondContact CA-O 3.21Å; L258-D265 HydrophobicContact CB-CB 4.37Å; L258-D265 PolarHBondContact N-O 3.37Å; L258-D265 PolarHBondContact O-N 3.15Å; R260-D265 IonicContact CZ-OD2 2.82Å; R260-D265 IonicContact NE-OD2 3.99Å; R260-D265 PolarHBondContact NE-OD2 2.64Å; R260-D265 IonicContact NH2-OD1 2.82Å; R260-D265 IonicContact NH2-OD2 2.93Å; R260-D265 PolarHBondContact NH2-OD2 3.37Å; H263-D265 IonicContact CD2-OD1 3.59Å; H263-D265 IonicContact CD2-OD2 2.75Å; H263-D265 PolarHBondContact CD2-OD2 3.41Å; H263-D265 IonicContact NE2-OD1 3.56Å; H263-D265 PolarHBondContact NE2-OD1 3.26Å; H263-D265 VanDerWaalsContact NE2-OD1 3.17Å; H263-D265 IonicContact NE2-OD2 2.63Å
266	I	98.8	Very high	96.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.3	178.6	-53	164.4	0	0	0	109.3	I80 R81 A93 F96 L257 Y268	I80-I266 CarbonylContact C-O 3.54Å; I80-I266 VanDerWaalsContact CA-O 3.28Å; I80-I266 WeakPolarHBondContact CA-O 3.42Å; I80-I266 WeakPolarHBondContact CG1-O 3.4Å; R81-I266 HydrophobicContact CB-CB 4.23Å; R81-I266 HydrophobicContact CB-CD1 4.47Å; R81-I266 PolarHBondContact N-O 3.24Å; R81-I266 PolarHBondContact O-N 3.48Å; A93-I266 HydrophobicContact CB-CD1 4.41Å; A93-I266 HydrophobicContact CB-CG1 3.75Å; A93-I266 WeakPolarHBondContact O-CD1 3.33Å; F96-I266 HydrophobicContact CB-CD1 4.25Å; F96-I266 HydrophobicContact CD1-CD1 3.65Å; F96-I266 HydrophobicContact CG-CD1 4.39Å; L257-I266 HydrophobicContact CD2-CG1 4.16Å; I266-Y268 HydrophobicContact CB-CE2 4.21Å; I266-Y268 HydrophobicContact CG2-CD2 4.46Å; I266-Y268 HydrophobicContact CG2-CE1 4.4Å; I266-Y268 HydrophobicContact CG2-CE2 3.73Å
267	L	98.7	Very high	96.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	149	174.9	-66.4	173.3	0	0	0	111.5	L52 L73 Y77 I80 E232 F256 L258	L52-L267 HydrophobicContact CD1-CD2 3.88Å; L73-L267 HydrophobicContact CD1-CD1 3.99Å; L73-L267 HydrophobicContact CD2-CD2 4.14Å; Y77-L267 HydrophobicContact CD1-CB 3.66Å; Y77-L267 HydrophobicContact CD1-CD1 4.38Å; Y77-L267 HydrophobicContact CD2-CD1 3.9Å; Y77-L267 HydrophobicContact CE1-CB 3.95Å; Y77-L267 HydrophobicContact CE1-CD1 4.31Å; Y77-L267 HydrophobicContact CE2-CD1 3.85Å; Y77-L267 HydrophobicContact CG-CB 3.97Å; Y77-L267 HydrophobicContact CG-CD1 4.18Å; Y77-L267 HydrophobicContact CG-CD2 4.47Å; Y77-L267 HydrophobicContact CG-CG 4.45Å; I80-L267 HydrophobicContact CG1-CD2 4.46Å; E232-L267 HydrophobicContact CB-CD1 3.92Å; E232-L267 HydrophobicContact CG-CD1 3.71Å; F256-L267 HydrophobicContact CB-CB 4.12Å; F256-L267 PolarHBondContact O-N 2.93Å; L258-L267 HydrophobicContact CB-CD1 3.81Å; L258-L267 HydrophobicContact CB-CD2 3.98Å; L258-L267 HydrophobicContact CB-CG 3.75Å; L258-L267 HydrophobicContact CD1-CD1 4.45Å; L258-L267 HydrophobicContact CD2-CD2 4.46Å
268	Y	98	Very high	96.2	Very high	31 Å²	31	34 Å²	34	12%	0.122	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.2	175.4	-56.8	-95.9	0	0	0	109.8	R49 Y77 S78 Y79 R81 E100 I266	R49-Y268 HydrophobicContact CG-CD2 4.27Å; R49-Y268 HydrophobicContact CG-CE2 4.31Å; Y77-Y268 CarbonylContact C-O 3.57Å; Y77-Y268 WeakPolarHBondContact CA-O 3.29Å; Y77-Y268 VanDerWaalsContact CB-O 3.31Å; Y77-Y268 WeakPolarHBondContact CB-O 3.31Å; S78-Y268 PolarHBondContact N-O 3.17Å; Y79-Y268 PolarHBondContact N-O 3.15Å; Y79-Y268 VanDerWaalsContact N-O 3.16Å; Y79-Y268 PolarHBondContact O-N 3.39Å; R81-Y268 HydrophobicContact CB-CE2 3.63Å; R81-Y268 PolarHBondContact NE-OH 3.5Å; E100-Y268 WeakPolarHBondContact OE2-CE1 3.43Å; E100-Y268 VanDerWaalsContact OE2-CZ 3.27Å; E100-Y268 PolarHBondContact OE2-OH 3Å; I266-Y268 HydrophobicContact CB-CE2 4.21Å; I266-Y268 HydrophobicContact CG2-CD2 4.46Å; I266-Y268 HydrophobicContact CG2-CE1 4.4Å; I266-Y268 HydrophobicContact CG2-CE2 3.73Å
269	K	94.3	Very high	96	Very high	157 Å²	157	37.1 Å²	37.1	68%	0.683	19%	0.194	S	C	*	.			trans	-61.9	0	174.6	-67.1	-176.7	178.2	174.5	0	110.7	Y77 S78 F256	Y77-K269 HydrophobicContact CD1-CG 3.99Å; Y77-K269 HydrophobicContact CE1-CG 4.06Å; S78-K269 VanDerWaalsContact CB-OXT 3.28Å; S78-K269 WeakPolarHBondContact CB-OXT 3.18Å; S78-K269 PolarHBondContact N-OXT 3.25Å; S78-K269 VanDerWaalsContact N-OXT 3.15Å; S78-K269 PolarHBondContact OG-OXT 2.85Å; F256-K269 HydrophobicContact CZ-CD 4.4Å; F256-K269 VanDerWaalsContact CZ-CE 3.49Å

Retrieved 269 of 269 residues in 2296.6 ms (Link to these results)

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