A0A077ZB16_TRITR Loading...

Protein CYP 25A3

AlphaFold DB , UniProt , Accession A0A077ZB16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 548 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	49.8	Very low	66.6	Low	211 Å²	211	104.3 Å²	104.3	100%	1.039	57%	0.565	S	S	*	*				0	109.6	0	-78.6	174.5	156.9	0	0	108.3	H3	M1-H3 PolarHBondContact O-N 2.79Å
2	N	54.1	Low	67.1	Low	148 Å²	148	109.1 Å²	109.1	79%	0.791	59%	0.59	S	S	*	*			trans	-79.7	105.1	174.3	-77.5	-14.6	0	0	0	108.9
3	H	68.4	Low	67.5	Low	124 Å²	124	115.3 Å²	115.3	57%	0.574	61%	0.613	S	S	*	*			trans	-77.2	130.6	174.1	-70.1	-77	0	0	0	110.4	M1 S22	M1-H3 PolarHBondContact O-N 2.79Å; H3-S22 PolarHBondContact O-OG 2.55Å
4	W	68.6	Low	67.4	Low	146 Å²	146	111.5 Å²	111.5	55%	0.553	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.1	130.7	175.2	-69.7	88.6	0	0	0	109	R19	W4-R19 HydrophobicContact CB-CG 4.1Å; W4-R19 HydrophobicContact CE3-CB 4.13Å
5	F	72.6	Confident	67.9	Low	89 Å²	89	110.3 Å²	110.3	39%	0.39	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.8	140	175.3	-66.6	-88.9	0	0	0	109.4	R19 V20 S22	F5-R19 CarbonylContact O-C 3.43Å; F5-R19 WeakPolarHBondContact O-CA 3.47Å; F5-V20 HydrophobicContact CB-CG2 4.25Å; F5-V20 PolarHBondContact N-O 3.26Å; F5-V20 PolarHBondContact O-N 3.49Å; F5-S22 WeakPolarHBondContact CE2-OG 3.11Å
6	I	72.5	Confident	68.1	Low	106 Å²	106	110.9 Å²	110.9	54%	0.544	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.4	117.5	170	-65.7	174.2	0	0	0	106.9	T17 A18 R19	I6-T17 HydrophobicContact CG2-CG2 3.23Å; I6-A18 WeakPolarHBondContact CA-O 3.33Å; I6-R19 HydrophobicContact CG1-CG 3.81Å
7	V	70.2	Confident	68.8	Low	26 Å²	26	109.5 Å²	109.5	16%	0.158	60%	0.6	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.1	123	171.9	174.4	0	0	0	0	108.1	V9 T17 A18 V20 F25	V7-V9 HydrophobicContact CG1-CG2 4.04Å; V7-T17 WeakPolarHBondContact O-CA 3.31Å; V7-A18 PolarHBondContact N-O 2.98Å; V7-A18 PolarHBondContact O-N 2.92Å; V7-V20 HydrophobicContact CB-CG2 4.16Å; V7-V20 HydrophobicContact CG2-CG2 3.39Å; V7-F25 HydrophobicContact CG2-CD2 3.49Å; V7-F25 VanDerWaalsContact CG2-CD2 3.49Å; V7-F25 HydrophobicContact CG2-CE2 4.07Å
8	T	71.6	Confident	69.2	Low	80 Å²	80	105.8 Å²	105.8	49%	0.491	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	115.4	173.6	-58.2	0	0	0	0	108.4	T15 I16 T17	T8-T15 HydrophobicContact CG2-CG2 3.2Å; T8-I16 WeakPolarHBondContact CA-O 3.25Å; T8-T17 PolarHBondContact OG1-OG1 3.31Å
9	V	68.4	Low	69.6	Low	93 Å²	93	109.7 Å²	109.7	56%	0.564	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.2	111.8	171.5	-176.7	0	0	0	0	107.3	V7 I16	V7-V9 HydrophobicContact CG1-CG2 4.04Å; V9-I16 PolarHBondContact N-O 2.97Å; V9-I16 PolarHBondContact O-N 2.86Å
10	A	68.1	Low	69.9	Low	80 Å²	80	105.4 Å²	105.4	66%	0.661	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.7	112.4	172.2	0	0	0	0	0	109
11	G	68.9	Low	70.3	Confident	44 Å²	44	102.1 Å²	102.1	45%	0.454	55%	0.554	S	S	.	*			trans	-97.6	166.3	164.6	0	0	0	0	0	110.9	H13 A14	G11-H13 PolarHBondContact O-N 3.08Å; G11-A14 PolarHBondContact N-O 3.1Å
12	N	71.7	Confident	71.5	Confident	162 Å²	162	94.1 Å²	94.1	87%	0.866	52%	0.518	S	S	*	.	S	Bend	trans	-59	-14.6	179.1	-73.3	-6.9	0	0	0	114.7
13	H	73.2	Confident	72.6	Confident	190 Å²	190	90.7 Å²	90.7	88%	0.88	51%	0.506	S	S	*	.	S	Bend	trans	-130.7	-11.7	-174.4	-65.7	-65.4	0	0	0	115.6	G11	G11-H13 PolarHBondContact O-N 3.08Å
14	A	65.8	Low	72.9	Confident	62 Å²	62	87.9 Å²	87.9	51%	0.512	50%	0.497	S	S	.	.			trans	-161	148.2	177.8	0	0	0	0	0	110.4	G11	G11-A14 PolarHBondContact N-O 3.1Å
15	T	75.1	Confident	73.3	Confident	93 Å²	93	85.1 Å²	85.1	57%	0.571	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	111.2	172	-60.7	0	0	0	0	108.4	T8	T8-T15 HydrophobicContact CG2-CG2 3.2Å
16	I	71.4	Confident	73.5	Confident	121 Å²	121	85.9 Å²	85.9	62%	0.621	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.8	177.5	-60.5	175.6	0	0	0	107.8	T8 V9	T8-I16 WeakPolarHBondContact CA-O 3.25Å; V9-I16 PolarHBondContact N-O 2.97Å; V9-I16 PolarHBondContact O-N 2.86Å
17	T	80	Confident	73.7	Confident	86 Å²	86	85 Å²	85	53%	0.528	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.6	176.5	-58.6	0	0	0	0	108.8	I6 V7 T8	I6-T17 HydrophobicContact CG2-CG2 3.23Å; V7-T17 WeakPolarHBondContact O-CA 3.31Å; T8-T17 PolarHBondContact OG1-OG1 3.31Å
18	A	75.2	Confident	73.9	Confident	43 Å²	43	88 Å²	88	36%	0.355	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.4	-179.1	0	0	0	0	0	111.3	I6 V7 V20	I6-A18 WeakPolarHBondContact CA-O 3.33Å; V7-A18 PolarHBondContact N-O 2.98Å; V7-A18 PolarHBondContact O-N 2.92Å; A18-V20 PolarHBondContact O-N 2.86Å
19	R	77.1	Confident	74.2	Confident	181 Å²	181	89 Å²	89	68%	0.683	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	112.4	165	-106.3	-174.2	-179	161.6	1.3	108.4	W4 F5 I6	W4-R19 HydrophobicContact CB-CG 4.1Å; W4-R19 HydrophobicContact CE3-CB 4.13Å; F5-R19 CarbonylContact O-C 3.43Å; F5-R19 WeakPolarHBondContact O-CA 3.47Å; I6-R19 HydrophobicContact CG1-CG 3.81Å
20	V	75.8	Confident	74.6	Confident	23 Å²	23	89.5 Å²	89.5	14%	0.139	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	147.9	174.1	-63.9	0	0	0	0	109.9	F5 V7 A18 V24 F25	F5-V20 HydrophobicContact CB-CG2 4.25Å; F5-V20 PolarHBondContact N-O 3.26Å; F5-V20 PolarHBondContact O-N 3.49Å; V7-V20 HydrophobicContact CB-CG2 4.16Å; V7-V20 HydrophobicContact CG2-CG2 3.39Å; A18-V20 PolarHBondContact O-N 2.86Å; V20-V24 HydrophobicContact CB-CB 3.99Å; V20-V24 HydrophobicContact CB-CG1 3.92Å; V20-V24 HydrophobicContact CG1-CG1 3.9Å; V20-F25 HydrophobicContact CG2-CB 4.17Å
21	S	77.4	Confident	74.8	Confident	36 Å²	36	90.5 Å²	90.5	25%	0.252	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	157.8	170.2	59.9	0	0	0	0	110.4	S23 V24 F25	S21-S23 PolarHBondContact O-N 3.49Å; S21-S23 VanDerWaalsContact O-N 3.1Å; S21-S23 PolarHBondContact OG-OG 3.23Å; S21-V24 PolarHBondContact O-N 3.38Å; S21-F25 PolarHBondContact O-N 3.42Å
22	S	75.3	Confident	75	Confident	43 Å²	43	93.7 Å²	93.7	30%	0.301	50%	0.502	S	S	.	.	H	α-helix	trans	-47.5	-38.6	173.5	-37.1	0	0	0	0	113.4	H3 F5 V24 L26	H3-S22 PolarHBondContact O-OG 2.55Å; F5-S22 WeakPolarHBondContact CE2-OG 3.11Å; S22-V24 PolarHBondContact O-N 3.07Å; S22-L26 PolarHBondContact O-N 3.26Å
23	S	76.6	Confident	75	Confident	77 Å²	77	91.6 Å²	91.6	54%	0.538	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-37.7	-179.6	53.7	0	0	0	0	113.3	S21 T27	S21-S23 PolarHBondContact O-N 3.49Å; S21-S23 VanDerWaalsContact O-N 3.1Å; S21-S23 PolarHBondContact OG-OG 3.23Å; S23-T27 PolarHBondContact O-N 3.28Å; S23-T27 PolarHBondContact O-OG1 2.59Å
24	V	75.3	Confident	74.7	Confident	64 Å²	64	87.9 Å²	87.9	39%	0.388	47%	0.471	S	S	.	.	H	α-helix	trans	-75.7	-39.6	-179	172.9	0	0	0	0	110.7	V20 S21 S22 L26 T27 L28	V20-V24 HydrophobicContact CB-CB 3.99Å; V20-V24 HydrophobicContact CB-CG1 3.92Å; V20-V24 HydrophobicContact CG1-CG1 3.9Å; S21-V24 PolarHBondContact O-N 3.38Å; S22-V24 PolarHBondContact O-N 3.07Å; V24-L26 PolarHBondContact O-N 2.99Å; V24-T27 PolarHBondContact O-N 3.46Å; V24-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 PolarHBondContact O-N 2.99Å; V24-L28 VanDerWaalsContact O-N 3.13Å
25	F	77.3	Confident	74.8	Confident	88 Å²	88	91.2 Å²	91.2	39%	0.386	48%	0.476	S	S	.	.	H	α-helix	trans	-60	-47.1	177.2	-179.4	-104.8	0	0	0	112.7	V7 V20 S21 T27 L28 F29	V7-F25 HydrophobicContact CG2-CD2 3.49Å; V7-F25 VanDerWaalsContact CG2-CD2 3.49Å; V7-F25 HydrophobicContact CG2-CE2 4.07Å; V20-F25 HydrophobicContact CG2-CB 4.17Å; S21-F25 PolarHBondContact O-N 3.42Å; F25-T27 VanDerWaalsContact C-N 3.28Å; F25-T27 PolarHBondContact O-N 3.1Å; F25-L28 PolarHBondContact O-N 3.34Å; F25-F29 PolarHBondContact O-N 3.19Å; F25-F29 VanDerWaalsContact O-N 3.1Å
26	L	76.6	Confident	74.3	Confident	106 Å²	106	91.4 Å²	91.4	56%	0.555	47%	0.473	S	S	*	.	H	α-helix	trans	-58.5	-40.8	177.1	-97	144.5	0	0	0	112	S22 V24 F29 Q30	S22-L26 PolarHBondContact O-N 3.26Å; V24-L26 PolarHBondContact O-N 2.99Å; L26-F29 PolarHBondContact O-N 3.05Å; L26-Q30 VanDerWaalsContact O-CG 3.26Å; L26-Q30 WeakPolarHBondContact O-CG 3.08Å; L26-Q30 PolarHBondContact O-N 3.26Å; L26-Q30 VanDerWaalsContact O-N 3.16Å
27	T	77.2	Confident	74.3	Confident	86 Å²	86	94.9 Å²	94.9	53%	0.528	48%	0.479	S	S	.	.	H	α-helix	trans	-64.1	-45.2	178.8	-52.8	0	0	0	0	112	S23 V24 F25 F29 Q30 L31	S23-T27 PolarHBondContact O-N 3.28Å; S23-T27 PolarHBondContact O-OG1 2.59Å; V24-T27 PolarHBondContact O-N 3.46Å; F25-T27 VanDerWaalsContact C-N 3.28Å; F25-T27 PolarHBondContact O-N 3.1Å; T27-F29 PolarHBondContact O-N 3.14Å; T27-Q30 PolarHBondContact O-N 2.9Å; T27-L31 HydrophobicContact CG2-CD1 4.38Å; T27-L31 PolarHBondContact O-N 2.64Å
28	L	75	Confident	73.8	Confident	90 Å²	90	93.6 Å²	93.6	47%	0.471	47%	0.473	S	S	.	.	H	α-helix	trans	-64.5	-40.5	179.1	-71.7	171.6	0	0	0	112.6	V24 F25 Q30 L31 H32	V24-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 PolarHBondContact O-N 2.99Å; V24-L28 VanDerWaalsContact O-N 3.13Å; F25-L28 PolarHBondContact O-N 3.34Å; L28-Q30 PolarHBondContact O-N 3.16Å; L28-L31 PolarHBondContact O-N 3.43Å; L28-H32 PolarHBondContact O-N 2.94Å
29	F	76.2	Confident	73.5	Confident	101 Å²	101	100.6 Å²	100.6	44%	0.443	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-38.4	178.1	-176	-104.9	0	0	0	112.7	F25 L26 T27 H32 K33	F25-F29 PolarHBondContact O-N 3.19Å; F25-F29 VanDerWaalsContact O-N 3.1Å; L26-F29 PolarHBondContact O-N 3.05Å; T27-F29 PolarHBondContact O-N 3.14Å; F29-H32 PolarHBondContact O-N 3.46Å; F29-K33 HydrophobicContact CE1-CD 4.02Å; F29-K33 VanDerWaalsContact CE1-CE 3.48Å; F29-K33 HydrophobicContact CZ-CD 4.37Å; F29-K33 PolarHBondContact O-N 2.88Å
30	Q	76.6	Confident	73.5	Confident	103 Å²	103	97.1 Å²	97.1	48%	0.481	49%	0.485	S	S	.	.	H	α-helix	trans	-65.2	-40.1	176.3	-69.6	-68	-16.9	0	0	112	L26 T27 L28 H32 K33 L34	L26-Q30 VanDerWaalsContact O-CG 3.26Å; L26-Q30 WeakPolarHBondContact O-CG 3.08Å; L26-Q30 PolarHBondContact O-N 3.26Å; L26-Q30 VanDerWaalsContact O-N 3.16Å; T27-Q30 PolarHBondContact O-N 2.9Å; L28-Q30 PolarHBondContact O-N 3.16Å; Q30-H32 PolarHBondContact O-N 3.5Å; Q30-K33 PolarHBondContact O-N 2.86Å; Q30-L34 WeakPolarHBondContact O-CG 3.49Å; Q30-L34 PolarHBondContact O-N 2.89Å
31	L	72.6	Confident	73.5	Confident	101 Å²	101	101.5 Å²	101.5	53%	0.529	51%	0.506	S	S	.	.	H	α-helix	trans	-60.2	-42.5	175.9	-89	153.8	0	0	0	112.9	T27 L28 L34 Q35	T27-L31 HydrophobicContact CG2-CD1 4.38Å; T27-L31 PolarHBondContact O-N 2.64Å; L28-L31 PolarHBondContact O-N 3.43Å; L31-L34 PolarHBondContact O-N 2.88Å; L31-Q35 PolarHBondContact O-N 3.45Å
32	H	73.3	Confident	73.6	Confident	111 Å²	111	104.9 Å²	104.9	51%	0.514	52%	0.52	S	S	.	.	H	α-helix	trans	-66.5	-40.8	180	-171.2	62.2	0	0	0	112.8	L28 F29 Q30 L34 Q35 L36	L28-H32 PolarHBondContact O-N 2.94Å; F29-H32 PolarHBondContact O-N 3.46Å; Q30-H32 PolarHBondContact O-N 3.5Å; H32-L34 VanDerWaalsContact C-N 3.3Å; H32-L34 PolarHBondContact O-N 3.36Å; H32-Q35 PolarHBondContact O-N 3.47Å; H32-L36 PolarHBondContact O-N 2.6Å
33	K	71.4	Confident	73.8	Confident	118 Å²	118	106.2 Å²	106.2	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-61.5	-36.7	174.9	-82.7	-171.2	172.8	-177.3	0	112.8	F29 Q30 R37	F29-K33 HydrophobicContact CE1-CD 4.02Å; F29-K33 VanDerWaalsContact CE1-CE 3.48Å; F29-K33 HydrophobicContact CZ-CD 4.37Å; F29-K33 PolarHBondContact O-N 2.88Å; Q30-K33 PolarHBondContact O-N 2.86Å; K33-R37 PolarHBondContact O-N 2.94Å
34	L	68.5	Low	74	Confident	113 Å²	113	109.2 Å²	109.2	59%	0.592	53%	0.532	S	S	*	.	H	α-helix	trans	-65.4	-37.9	177.6	-74.3	165.3	0	0	0	112.4	Q30 L31 H32 R37 S38	Q30-L34 WeakPolarHBondContact O-CG 3.49Å; Q30-L34 PolarHBondContact O-N 2.89Å; L31-L34 PolarHBondContact O-N 2.88Å; H32-L34 VanDerWaalsContact C-N 3.3Å; H32-L34 PolarHBondContact O-N 3.36Å; L34-R37 PolarHBondContact O-N 2.87Å; L34-S38 PolarHBondContact O-N 2.91Å
35	Q	67.2	Low	74.5	Confident	131 Å²	131	111.3 Å²	111.3	61%	0.612	54%	0.54	S	S	*	.	H	α-helix	trans	-67.5	-37	178	-77.1	-172.9	-39.8	0	0	113.7	L31 H32 S38	L31-Q35 PolarHBondContact O-N 3.45Å; H32-Q35 PolarHBondContact O-N 3.47Å; Q35-S38 PolarHBondContact O-OG 2.81Å
36	L	64.8	Low	74.9	Confident	98 Å²	98	113 Å²	113	51%	0.513	55%	0.552	S	S	.	*	H	α-helix	trans	-68.8	-38.7	177.2	-75.7	164.5	0	0	0	111.9	H32 S38 R39	H32-L36 PolarHBondContact O-N 2.6Å; L36-S38 VanDerWaalsContact C-N 3.35Å; L36-S38 PolarHBondContact O-N 3.2Å; L36-R39 PolarHBondContact O-N 3.02Å
37	R	70.8	Confident	75.4	Confident	194 Å²	194	115.3 Å²	115.3	73%	0.732	56%	0.558	S	S	*	*	H	α-helix	trans	-67.2	-33.2	179.4	-161.5	173	-174.4	173.9	1	112.7	K33 L34 M41	K33-R37 PolarHBondContact O-N 2.94Å; L34-R37 PolarHBondContact O-N 2.87Å; R37-M41 PolarHBondContact O-N 3.17Å
38	S	69	Low	75.8	Confident	58 Å²	58	114.1 Å²	114.1	41%	0.406	56%	0.557	S	S	.	*	H	α-helix	trans	-70.1	-36.5	178.1	72.8	0	0	0	0	113	L34 Q35 L36 M41 L42	L34-S38 PolarHBondContact O-N 2.91Å; Q35-S38 PolarHBondContact O-OG 2.81Å; L36-S38 VanDerWaalsContact C-N 3.35Å; L36-S38 PolarHBondContact O-N 3.2Å; S38-M41 PolarHBondContact O-N 2.9Å; S38-L42 PolarHBondContact O-N 3.09Å; S38-L42 VanDerWaalsContact O-N 3.12Å
39	R	69.9	Low	76.4	Confident	191 Å²	191	111.9 Å²	111.9	72%	0.721	55%	0.552	S	S	*	*	H	α-helix	trans	-64.5	-44.2	177.6	-81.5	-176.2	163.7	-176.5	-3.8	113	L36 L42 T43	L36-R39 PolarHBondContact O-N 3.02Å; R39-L42 PolarHBondContact O-N 2.94Å; R39-T43 PolarHBondContact O-N 3.23Å; R39-T43 PolarHBondContact O-OG1 2.97Å
40	N	76.3	Confident	77	Confident	108 Å²	108	112.1 Å²	112.1	58%	0.578	56%	0.557	S	S	*	*	H	α-helix	trans	-67	-37.5	177.8	-72.4	-2.1	0	0	0	112.2	L42 T43 E44	N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.32Å; N40-T43 WeakPolarHBondContact CA-OG1 3.31Å; N40-T43 PolarHBondContact O-N 2.91Å; N40-T43 PolarHBondContact O-OG1 3.01Å; N40-E44 PolarHBondContact O-N 3.49Å; N40-E44 VanDerWaalsContact O-N 3.11Å
41	M	77.2	Confident	77.5	Confident	115 Å²	115	109.9 Å²	109.9	57%	0.567	56%	0.556	S	S	*	*	H	α-helix	trans	-61.8	-40.8	173.9	-78.5	-131	-68.7	0	0	112.3	R37 S38 T43 E44 I45	R37-M41 PolarHBondContact O-N 3.17Å; S38-M41 PolarHBondContact O-N 2.9Å; M41-T43 VanDerWaalsContact C-N 3.34Å; M41-T43 PolarHBondContact O-N 3.28Å; M41-E44 PolarHBondContact O-N 3.07Å; M41-I45 WeakPolarHBondContact O-CB 2.92Å; M41-I45 WeakPolarHBondContact O-CD1 3.2Å; M41-I45 WeakPolarHBondContact O-CG1 3.44Å; M41-I45 PolarHBondContact O-N 3.39Å
42	L	77.6	Confident	78.4	Confident	106 Å²	106	110.5 Å²	110.5	56%	0.555	56%	0.559	S	S	*	*	H	α-helix	trans	-60.8	-41.3	177.2	-82.3	156.8	0	0	0	112.3	S38 R39 N40 L46	S38-L42 PolarHBondContact O-N 3.09Å; S38-L42 VanDerWaalsContact O-N 3.12Å; R39-L42 PolarHBondContact O-N 2.94Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.05Å; L42-L46 PolarHBondContact O-N 3.29Å; L42-L46 VanDerWaalsContact O-N 3.09Å
43	T	80.2	Confident	79.2	Confident	71 Å²	71	109.7 Å²	109.7	44%	0.436	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-42	177.6	47.1	0	0	0	0	112.7	R39 N40 M41 L46 F47	R39-T43 PolarHBondContact O-N 3.23Å; R39-T43 PolarHBondContact O-OG1 2.97Å; N40-T43 WeakPolarHBondContact CA-OG1 3.31Å; N40-T43 PolarHBondContact O-N 2.91Å; N40-T43 PolarHBondContact O-OG1 3.01Å; M41-T43 VanDerWaalsContact C-N 3.34Å; M41-T43 PolarHBondContact O-N 3.28Å; T43-L46 PolarHBondContact O-N 2.63Å; T43-F47 VanDerWaalsContact O-CD2 3.26Å; T43-F47 WeakPolarHBondContact O-CD2 3.45Å; T43-F47 PolarHBondContact O-N 3.48Å
44	E	81.8	Confident	80	Confident	140 Å²	140	107.1 Å²	107.1	65%	0.654	55%	0.552	S	S	*	*	H	α-helix	trans	-64.5	-40.5	176.9	-73.9	-176.9	179.5	0	0	112	N40 M41 L46 F47 A48	N40-E44 PolarHBondContact O-N 3.49Å; N40-E44 VanDerWaalsContact O-N 3.11Å; M41-E44 PolarHBondContact O-N 3.07Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 3.39Å; E44-F47 PolarHBondContact O-N 3.04Å; E44-A48 WeakPolarHBondContact O-CB 3.48Å; E44-A48 PolarHBondContact O-N 3.45Å
45	I	85.1	Confident	81	Confident	109 Å²	109	104.4 Å²	104.4	56%	0.559	55%	0.546	S	S	*	.	H	α-helix	trans	-61.3	-42.2	174.9	-68.9	165.5	0	0	0	110.9	M41 A48 A49	M41-I45 WeakPolarHBondContact O-CB 2.92Å; M41-I45 WeakPolarHBondContact O-CD1 3.2Å; M41-I45 WeakPolarHBondContact O-CG1 3.44Å; M41-I45 PolarHBondContact O-N 3.39Å; I45-A48 PolarHBondContact O-N 2.72Å; I45-A49 VanDerWaalsContact O-CB 3.31Å; I45-A49 WeakPolarHBondContact O-CB 3.17Å; I45-A49 PolarHBondContact O-N 3.4Å
46	L	85.2	Confident	82.1	Confident	122 Å²	122	102 Å²	102	64%	0.639	54%	0.536	S	S	*	.	H	α-helix	trans	-63.9	-43.4	177.1	-75.9	165.6	0	0	0	112.3	L42 T43 E44 A49 L50	L42-L46 WeakPolarHBondContact O-CG 3.05Å; L42-L46 PolarHBondContact O-N 3.29Å; L42-L46 VanDerWaalsContact O-N 3.09Å; T43-L46 PolarHBondContact O-N 2.63Å; E44-L46 VanDerWaalsContact C-N 3.34Å; E44-L46 PolarHBondContact O-N 3.39Å; L46-A49 PolarHBondContact O-N 3.23Å; L46-L50 PolarHBondContact O-N 2.86Å
47	F	87.1	Confident	83.2	Confident	155 Å²	155	101.7 Å²	101.7	68%	0.68	54%	0.535	S	S	*	.	H	α-helix	trans	-64.6	-43.8	175.6	-84.3	-71	0	0	0	112.4	T43 E44 A49 L50 A51	T43-F47 VanDerWaalsContact O-CD2 3.26Å; T43-F47 WeakPolarHBondContact O-CD2 3.45Å; T43-F47 PolarHBondContact O-N 3.48Å; E44-F47 PolarHBondContact O-N 3.04Å; F47-A49 PolarHBondContact O-N 2.97Å; F47-L50 PolarHBondContact O-N 3.34Å; F47-A51 WeakPolarHBondContact O-CB 3.45Å; F47-A51 PolarHBondContact O-N 3.07Å
48	A	86.1	Confident	84	Confident	62 Å²	62	97.6 Å²	97.6	51%	0.512	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-40.8	176.7	0	0	0	0	0	111.9	E44 I45 A51 L52	E44-A48 WeakPolarHBondContact O-CB 3.48Å; E44-A48 PolarHBondContact O-N 3.45Å; I45-A48 PolarHBondContact O-N 2.72Å; A48-A51 PolarHBondContact O-N 3.32Å; A48-L52 WeakPolarHBondContact O-CB 3.3Å; A48-L52 PolarHBondContact O-N 3.49Å
49	A	86.9	Confident	85	Confident	43 Å²	43	100.2 Å²	100.2	36%	0.355	53%	0.531	S	S	.	.	H	α-helix	trans	-62.4	-43.2	174.7	0	0	0	0	0	111.8	I45 L46 F47 L52 I53	I45-A49 VanDerWaalsContact O-CB 3.31Å; I45-A49 WeakPolarHBondContact O-CB 3.17Å; I45-A49 PolarHBondContact O-N 3.4Å; L46-A49 PolarHBondContact O-N 3.23Å; F47-A49 PolarHBondContact O-N 2.97Å; A49-L52 PolarHBondContact O-N 3.33Å; A49-I53 WeakPolarHBondContact O-CB 3.3Å; A49-I53 WeakPolarHBondContact O-CD1 3.49Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 2.92Å
50	L	89.4	Confident	85.8	Confident	105 Å²	105	97.7 Å²	97.7	55%	0.55	53%	0.525	S	S	.	.	H	α-helix	trans	-65.2	-41.2	177	-171.2	67.9	0	0	0	112.3	L46 F47 I53 T54	L46-L50 PolarHBondContact O-N 2.86Å; F47-L50 PolarHBondContact O-N 3.34Å; L50-I53 PolarHBondContact O-N 2.92Å; L50-T54 WeakPolarHBondContact O-CG2 3.23Å; L50-T54 PolarHBondContact O-N 3.39Å; L50-T54 PolarHBondContact O-OG1 3.41Å
51	A	87.7	Confident	86.3	Confident	57 Å²	57	97.9 Å²	97.9	47%	0.471	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-40.8	174.9	0	0	0	0	0	112.1	F47 A48 T54 A55	F47-A51 WeakPolarHBondContact O-CB 3.45Å; F47-A51 PolarHBondContact O-N 3.07Å; A48-A51 PolarHBondContact O-N 3.32Å; A51-T54 WeakPolarHBondContact CA-OG1 3.17Å; A51-T54 PolarHBondContact O-N 2.88Å; A51-T54 PolarHBondContact O-OG1 2.92Å; A51-A55 WeakPolarHBondContact O-CB 3.38Å; A51-A55 PolarHBondContact O-N 2.8Å
52	L	90.2	Very high	86.8	Confident	113 Å²	113	96.1 Å²	96.1	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-66.4	-43.2	175.9	-175	64.6	0	0	0	111.8	A48 A49 A55 I56	A48-L52 WeakPolarHBondContact O-CB 3.3Å; A48-L52 PolarHBondContact O-N 3.49Å; A49-L52 PolarHBondContact O-N 3.33Å; L52-A55 PolarHBondContact O-N 2.9Å; L52-I56 HydrophobicContact CD1-CD1 4.27Å; L52-I56 HydrophobicContact CG-CD1 3.98Å; L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.34Å; L52-I56 PolarHBondContact O-N 3.42Å
53	I	90.5	Very high	87.2	Confident	95 Å²	95	96.7 Å²	96.7	49%	0.487	52%	0.519	S	S	.	.	H	α-helix	trans	-60.8	-46.2	176.6	-70	164.5	0	0	0	110.6	A49 L50 I56 L57	A49-I53 WeakPolarHBondContact O-CB 3.3Å; A49-I53 WeakPolarHBondContact O-CD1 3.49Å; A49-I53 WeakPolarHBondContact O-CG1 3.43Å; A49-I53 PolarHBondContact O-N 2.92Å; L50-I53 PolarHBondContact O-N 2.92Å; I53-I56 PolarHBondContact O-N 3.43Å; I53-L57 HydrophobicContact CG2-CD1 3.94Å; I53-L57 HydrophobicContact CG2-CG 4.47Å; I53-L57 WeakPolarHBondContact O-CB 3.49Å; I53-L57 VanDerWaalsContact O-CG 3.28Å; I53-L57 WeakPolarHBondContact O-CG 3.45Å; I53-L57 PolarHBondContact O-N 2.92Å
54	T	88.1	Confident	87.4	Confident	63 Å²	63	97.9 Å²	97.9	39%	0.387	52%	0.523	S	S	.	.	H	α-helix	trans	-64.3	-42.1	178.6	50.3	0	0	0	0	112.4	L50 A51 L57 I58	L50-T54 WeakPolarHBondContact O-CG2 3.23Å; L50-T54 PolarHBondContact O-N 3.39Å; L50-T54 PolarHBondContact O-OG1 3.41Å; A51-T54 WeakPolarHBondContact CA-OG1 3.17Å; A51-T54 PolarHBondContact O-N 2.88Å; A51-T54 PolarHBondContact O-OG1 2.92Å; T54-L57 PolarHBondContact O-N 3.17Å; T54-I58 WeakPolarHBondContact O-CG1 3.44Å; T54-I58 PolarHBondContact O-N 2.85Å
55	A	89.2	Confident	87.6	Confident	56 Å²	56	93.5 Å²	93.5	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-42.8	175.2	0	0	0	0	0	112.7	A51 L52 L57 I58 F59	A51-A55 WeakPolarHBondContact O-CB 3.38Å; A51-A55 PolarHBondContact O-N 2.8Å; L52-A55 PolarHBondContact O-N 2.9Å; A55-L57 VanDerWaalsContact C-N 3.33Å; A55-L57 PolarHBondContact O-N 3.47Å; A55-I58 PolarHBondContact O-N 2.9Å; A55-F59 WeakPolarHBondContact O-CB 3.37Å; A55-F59 PolarHBondContact O-N 2.92Å
56	I	90.2	Very high	87.7	Confident	80 Å²	80	95.7 Å²	95.7	41%	0.41	52%	0.516	S	S	.	.	H	α-helix	trans	-62.9	-40.8	175.3	-68.3	167	0	0	0	110.8	L52 I53 K60	L52-I56 HydrophobicContact CD1-CD1 4.27Å; L52-I56 HydrophobicContact CG-CD1 3.98Å; L52-I56 VanDerWaalsContact O-CG1 3.26Å; L52-I56 WeakPolarHBondContact O-CG1 3.34Å; L52-I56 PolarHBondContact O-N 3.42Å; I53-I56 PolarHBondContact O-N 3.43Å; I56-K60 HydrophobicContact CG2-CD 4.23Å; I56-K60 WeakPolarHBondContact O-CB 3.44Å; I56-K60 WeakPolarHBondContact O-CG 3.38Å; I56-K60 PolarHBondContact O-N 2.86Å
57	L	88	Confident	87.8	Confident	92 Å²	92	94.2 Å²	94.2	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-63.9	-47.6	176.4	-74	169.6	0	0	0	111.7	I53 T54 A55 F59 K60 L61	I53-L57 HydrophobicContact CG2-CD1 3.94Å; I53-L57 HydrophobicContact CG2-CG 4.47Å; I53-L57 WeakPolarHBondContact O-CB 3.49Å; I53-L57 VanDerWaalsContact O-CG 3.28Å; I53-L57 WeakPolarHBondContact O-CG 3.45Å; I53-L57 PolarHBondContact O-N 2.92Å; T54-L57 PolarHBondContact O-N 3.17Å; A55-L57 VanDerWaalsContact C-N 3.33Å; A55-L57 PolarHBondContact O-N 3.47Å; L57-F59 VanDerWaalsContact C-N 3.34Å; L57-F59 PolarHBondContact O-N 2.98Å; L57-K60 PolarHBondContact O-N 2.9Å; L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 3.42Å
58	I	89	Confident	87.6	Confident	108 Å²	108	91.7 Å²	91.7	55%	0.554	50%	0.502	S	S	*	.	H	α-helix	trans	-58.2	-47.5	176.7	-68.8	166.6	0	0	0	110.2	T54 A55 K60 L61 T62	T54-I58 WeakPolarHBondContact O-CG1 3.44Å; T54-I58 PolarHBondContact O-N 2.85Å; A55-I58 PolarHBondContact O-N 2.9Å; I58-K60 PolarHBondContact O-N 3.31Å; I58-L61 PolarHBondContact O-N 3.3Å; I58-T62 HydrophobicContact CG2-CG2 4.37Å; I58-T62 WeakPolarHBondContact O-CG2 3.29Å; I58-T62 PolarHBondContact O-N 3.4Å; I58-T62 PolarHBondContact O-OG1 3.15Å
59	F	89	Confident	87.6	Confident	114 Å²	114	93.5 Å²	93.5	50%	0.5	51%	0.507	S	S	.	.	H	α-helix	trans	-61.3	-43.7	178.8	-176.8	-107.9	0	0	0	112.3	A55 L57 T62 K63	A55-F59 WeakPolarHBondContact O-CB 3.37Å; A55-F59 PolarHBondContact O-N 2.92Å; L57-F59 VanDerWaalsContact C-N 3.34Å; L57-F59 PolarHBondContact O-N 2.98Å; F59-T62 WeakPolarHBondContact CA-OG1 3.49Å; F59-T62 PolarHBondContact O-N 2.83Å; F59-T62 PolarHBondContact O-OG1 2.9Å; F59-K63 HydrophobicContact CD1-CD 4.17Å; F59-K63 HydrophobicContact CE1-CD 3.66Å; F59-K63 HydrophobicContact CE1-CG 4.47Å; F59-K63 VanDerWaalsContact CE1-NZ 3.29Å; F59-K63 HydrophobicContact CZ-CD 3.89Å; F59-K63 HydrophobicContact CZ-CG 4.47Å; F59-K63 VanDerWaalsContact CZ-NZ 3.3Å; F59-K63 PolarHBondContact O-N 3.05Å
60	K	86.2	Confident	87.6	Confident	137 Å²	137	93.2 Å²	93.2	60%	0.596	50%	0.504	S	S	*	.	H	α-helix	trans	-60.5	-44.5	174.4	-77.3	-179.5	178.8	-176.5	0	111.8	I56 L57 I58 K63 L64	I56-K60 HydrophobicContact CG2-CD 4.23Å; I56-K60 WeakPolarHBondContact O-CB 3.44Å; I56-K60 WeakPolarHBondContact O-CG 3.38Å; I56-K60 PolarHBondContact O-N 2.86Å; L57-K60 PolarHBondContact O-N 2.9Å; I58-K60 PolarHBondContact O-N 3.31Å; K60-K63 PolarHBondContact O-N 3.45Å; K60-L64 WeakPolarHBondContact O-CB 3.4Å; K60-L64 PolarHBondContact O-N 3.03Å
61	L	87.2	Confident	87.5	Confident	113 Å²	113	91.3 Å²	91.3	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-64.1	-42.5	177.4	-70.5	171.6	0	0	0	111.9	L57 I58 L64 A65	L57-L61 WeakPolarHBondContact O-CB 3.49Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.43Å; L57-L61 PolarHBondContact O-N 3.42Å; I58-L61 PolarHBondContact O-N 3.3Å; L61-L64 PolarHBondContact O-N 2.77Å; L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 3Å
62	T	87.3	Confident	87.2	Confident	77 Å²	77	92.6 Å²	92.6	47%	0.472	50%	0.495	S	S	.	.	H	α-helix	trans	-65.5	-39.4	176.7	56.6	0	0	0	0	112.8	I58 F59 A65 F66	I58-T62 HydrophobicContact CG2-CG2 4.37Å; I58-T62 WeakPolarHBondContact O-CG2 3.29Å; I58-T62 PolarHBondContact O-N 3.4Å; I58-T62 PolarHBondContact O-OG1 3.15Å; F59-T62 WeakPolarHBondContact CA-OG1 3.49Å; F59-T62 PolarHBondContact O-N 2.83Å; F59-T62 PolarHBondContact O-OG1 2.9Å; T62-A65 PolarHBondContact O-N 3.04Å; T62-F66 PolarHBondContact O-N 2.76Å
63	K	86.3	Confident	87.1	Confident	119 Å²	119	92.6 Å²	92.6	52%	0.517	49%	0.488	S	S	.	.	H	α-helix	trans	-65.3	-43.5	174.9	-84	-172.9	164.7	178.4	0	111.5	F59 K60 F66 V67	F59-K63 HydrophobicContact CD1-CD 4.17Å; F59-K63 HydrophobicContact CE1-CD 3.66Å; F59-K63 HydrophobicContact CE1-CG 4.47Å; F59-K63 VanDerWaalsContact CE1-NZ 3.29Å; F59-K63 HydrophobicContact CZ-CD 3.89Å; F59-K63 HydrophobicContact CZ-CG 4.47Å; F59-K63 VanDerWaalsContact CZ-NZ 3.3Å; F59-K63 PolarHBondContact O-N 3.05Å; K60-K63 PolarHBondContact O-N 3.45Å; K63-F66 PolarHBondContact O-N 3.16Å; K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.29Å
64	L	85.4	Confident	87	Confident	96 Å²	96	96.7 Å²	96.7	50%	0.503	50%	0.497	S	S	.	.	H	α-helix	trans	-60.8	-47	176.3	-173.7	65.4	0	0	0	110.8	K60 L61 F66 V67 E68	K60-L64 WeakPolarHBondContact O-CB 3.4Å; K60-L64 PolarHBondContact O-N 3.03Å; L61-L64 PolarHBondContact O-N 2.77Å; L64-F66 VanDerWaalsContact C-N 3.35Å; L64-F66 PolarHBondContact O-N 2.91Å; L64-V67 PolarHBondContact O-N 3.02Å; L64-E68 WeakPolarHBondContact O-CG 3.26Å; L64-E68 PolarHBondContact O-N 3.22Å
65	A	85.2	Confident	86.9	Confident	47 Å²	47	98.2 Å²	98.2	39%	0.388	50%	0.502	S	S	.	.	H	α-helix	trans	-59	-42.5	176.2	0	0	0	0	0	112.4	L61 T62 E68 V69	L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 3Å; T62-A65 PolarHBondContact O-N 3.04Å; A65-E68 PolarHBondContact O-N 3.28Å; A65-V69 WeakPolarHBondContact O-CB 3.4Å; A65-V69 VanDerWaalsContact O-CG2 3.24Å; A65-V69 WeakPolarHBondContact O-CG2 3.22Å; A65-V69 PolarHBondContact O-N 3.5Å
66	F	88.1	Confident	86.9	Confident	155 Å²	155	97.4 Å²	97.4	68%	0.68	49%	0.487	S	S	*	.	H	α-helix	trans	-63.9	-43.3	176.4	-176	-94.1	0	0	0	112.3	T62 K63 L64 V69 A70	T62-F66 PolarHBondContact O-N 2.76Å; K63-F66 PolarHBondContact O-N 3.16Å; L64-F66 VanDerWaalsContact C-N 3.35Å; L64-F66 PolarHBondContact O-N 2.91Å; F66-V69 PolarHBondContact O-N 3.13Å; F66-A70 WeakPolarHBondContact O-CB 3.34Å; F66-A70 PolarHBondContact O-N 3.34Å
67	V	87.8	Confident	86.9	Confident	92 Å²	92	97.4 Å²	97.4	56%	0.558	49%	0.488	S	S	*	.	H	α-helix	trans	-62.9	-43	176.1	171.8	0	0	0	0	110.9	K63 L64 A70 C71	K63-V67 WeakPolarHBondContact O-CG2 3.38Å; K63-V67 PolarHBondContact O-N 3.29Å; L64-V67 PolarHBondContact O-N 3.02Å; V67-A70 PolarHBondContact O-N 3.48Å; V67-C71 VanDerWaalsContact O-CB 3.27Å; V67-C71 WeakPolarHBondContact O-CB 3.28Å; V67-C71 PolarHBondContact O-N 3.31Å
68	E	82.6	Confident	86.9	Confident	102 Å²	102	99 Å²	99	48%	0.477	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-45.5	176.3	-75.4	-175.2	176.2	0	0	111.9	L64 A65 C71 H72	L64-E68 WeakPolarHBondContact O-CG 3.26Å; L64-E68 PolarHBondContact O-N 3.22Å; A65-E68 PolarHBondContact O-N 3.28Å; E68-C71 PolarHBondContact O-N 2.61Å; E68-H72 WeakPolarHBondContact O-CB 3.33Å; E68-H72 PolarHBondContact O-N 2.78Å; E68-H72 PolarHBondContact O-ND1 3.09Å
69	V	84.8	Confident	87	Confident	100 Å²	100	95.2 Å²	95.2	61%	0.606	48%	0.477	S	S	*	.	H	α-helix	trans	-62.1	-45	176.7	170.3	0	0	0	0	110.9	A65 F66 C71 H72 Y73	A65-V69 WeakPolarHBondContact O-CB 3.4Å; A65-V69 VanDerWaalsContact O-CG2 3.24Å; A65-V69 WeakPolarHBondContact O-CG2 3.22Å; A65-V69 PolarHBondContact O-N 3.5Å; F66-V69 PolarHBondContact O-N 3.13Å; V69-C71 PolarHBondContact O-N 2.62Å; V69-H72 PolarHBondContact O-N 3.08Å; V69-Y73 VanDerWaalsContact O-CB 3.31Å; V69-Y73 WeakPolarHBondContact O-CB 3.28Å; V69-Y73 PolarHBondContact O-N 2.95Å
70	A	87.9	Confident	87.1	Confident	37 Å²	37	91.2 Å²	91.2	31%	0.306	46%	0.459	S	S	.	.	H	α-helix	trans	-63.9	-39.6	177.5	0	0	0	0	0	112.3	F66 V67 Y73 R74	F66-A70 WeakPolarHBondContact O-CB 3.34Å; F66-A70 PolarHBondContact O-N 3.34Å; V67-A70 PolarHBondContact O-N 3.48Å; A70-Y73 PolarHBondContact O-N 2.92Å; A70-R74 WeakPolarHBondContact O-CG 3.22Å; A70-R74 PolarHBondContact O-N 2.97Å
71	C	87	Confident	87.5	Confident	64 Å²	64	86.9 Å²	86.9	43%	0.432	45%	0.446	S	S	.	.	H	α-helix	trans	-62.9	-50.6	174.4	-173.9	0	0	0	0	111.2	V67 E68 V69 Y73 R74 L75	V67-C71 VanDerWaalsContact O-CB 3.27Å; V67-C71 WeakPolarHBondContact O-CB 3.28Å; V67-C71 PolarHBondContact O-N 3.31Å; E68-C71 PolarHBondContact O-N 2.61Å; V69-C71 PolarHBondContact O-N 2.62Å; C71-Y73 VanDerWaalsContact C-N 3.3Å; C71-Y73 PolarHBondContact O-N 3.24Å; C71-R74 PolarHBondContact O-N 3.2Å; C71-L75 WeakPolarHBondContact O-CG 3.24Å; C71-L75 PolarHBondContact O-N 3.05Å
72	H	82.3	Confident	87.8	Confident	84 Å²	84	84 Å²	84	39%	0.389	43%	0.431	S	S	.	.	H	α-helix	trans	-59.3	-40.2	176.8	-79.6	87.3	0	0	0	112.3	E68 V69 L75 R76	E68-H72 WeakPolarHBondContact O-CB 3.33Å; E68-H72 PolarHBondContact O-N 2.78Å; E68-H72 PolarHBondContact O-ND1 3.09Å; V69-H72 PolarHBondContact O-N 3.08Å; H72-L75 PolarHBondContact O-N 3.16Å; H72-R76 WeakPolarHBondContact O-CB 3.36Å; H72-R76 VanDerWaalsContact O-CG 3.3Å; H72-R76 WeakPolarHBondContact O-CG 3.28Å; H72-R76 PolarHBondContact O-N 3.08Å
73	Y	86.4	Confident	88.2	Confident	113 Å²	113	82 Å²	82	44%	0.443	42%	0.415	S	S	.	.	H	α-helix	trans	-60.8	-48.2	175.3	175.7	-100.5	0	0	0	111.7	V69 A70 C71 R76 L77 L95	V69-Y73 VanDerWaalsContact O-CB 3.31Å; V69-Y73 WeakPolarHBondContact O-CB 3.28Å; V69-Y73 PolarHBondContact O-N 2.95Å; A70-Y73 PolarHBondContact O-N 2.92Å; C71-Y73 VanDerWaalsContact C-N 3.3Å; C71-Y73 PolarHBondContact O-N 3.24Å; Y73-R76 PolarHBondContact O-N 2.65Å; Y73-L77 HydrophobicContact CD1-CD1 4.05Å; Y73-L77 HydrophobicContact CE1-CD1 3.41Å; Y73-L77 VanDerWaalsContact CE1-CD1 3.41Å; Y73-L77 HydrophobicContact CE1-CG 4.23Å; Y73-L77 HydrophobicContact CE2-CD1 4.38Å; Y73-L77 HydrophobicContact CE2-CG 4.48Å; Y73-L77 PolarHBondContact O-N 3.49Å; Y73-L95 HydrophobicContact CD2-CD1 3.86Å; Y73-L95 HydrophobicContact CD2-CD2 3.8Å; Y73-L95 HydrophobicContact CD2-CG 4.09Å; Y73-L95 HydrophobicContact CE2-CD1 3.43Å; Y73-L95 VanDerWaalsContact CE2-CD1 3.43Å; Y73-L95 HydrophobicContact CE2-CD2 3.35Å; Y73-L95 HydrophobicContact CE2-CG 3.84Å
74	R	88.4	Confident	88.6	Confident	182 Å²	182	79.1 Å²	79.1	69%	0.687	42%	0.418	S	S	*	.	H	α-helix	trans	-62.9	-44.5	177.6	-74	-178.7	-179	-174.6	1.3	112.3	A70 C71 R76 L77 Q78	A70-R74 WeakPolarHBondContact O-CG 3.22Å; A70-R74 PolarHBondContact O-N 2.97Å; C71-R74 PolarHBondContact O-N 3.2Å; R74-R76 VanDerWaalsContact C-N 3.29Å; R74-R76 PolarHBondContact O-N 3.42Å; R74-L77 PolarHBondContact O-N 2.96Å; R74-Q78 WeakPolarHBondContact O-CG 3.26Å; R74-Q78 PolarHBondContact O-N 3.11Å
75	L	87.2	Confident	89	Confident	95 Å²	95	82 Å²	82	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-60.7	-38.9	177.1	-71.1	172.6	0	0	0	111.7	C71 H72 Q78 A79	C71-L75 WeakPolarHBondContact O-CG 3.24Å; C71-L75 PolarHBondContact O-N 3.05Å; H72-L75 PolarHBondContact O-N 3.16Å; L75-Q78 PolarHBondContact O-N 2.92Å; L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 2.92Å
76	R	88.7	Confident	89.4	Confident	38 Å²	38	80.8 Å²	80.8	14%	0.143	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-45.3	175	-76.8	175.9	178.5	-87.5	4.7	112.5	H72 Y73 R74 Q78 A79 Y80 L96 P135	H72-R76 WeakPolarHBondContact O-CB 3.36Å; H72-R76 VanDerWaalsContact O-CG 3.3Å; H72-R76 WeakPolarHBondContact O-CG 3.28Å; H72-R76 PolarHBondContact O-N 3.08Å; Y73-R76 PolarHBondContact O-N 2.65Å; R74-R76 VanDerWaalsContact C-N 3.29Å; R74-R76 PolarHBondContact O-N 3.42Å; R76-Q78 VanDerWaalsContact C-N 3.28Å; R76-Q78 PolarHBondContact O-N 2.81Å; R76-A79 PolarHBondContact O-N 3.4Å; R76-Y80 HydrophobicContact CB-CD2 4.47Å; R76-Y80 HydrophobicContact CB-CE2 4.01Å; R76-Y80 PolarHBondContact NH1-OH 2.79Å; R76-Y80 WeakPolarHBondContact O-CB 3.24Å; R76-Y80 VanDerWaalsContact O-CD2 3.24Å; R76-Y80 WeakPolarHBondContact O-CD2 3.4Å; R76-Y80 PolarHBondContact O-N 3Å; R76-L96 PolarHBondContact NH1-O 3.41Å; R76-L96 PolarHBondContact NH2-O 3.23Å; R76-P135 HydrophobicContact CG-CB 4.37Å
77	L	89.2	Confident	89.8	Confident	80 Å²	80	76.7 Å²	76.7	42%	0.419	42%	0.415	S	S	.	.	H	α-helix	trans	-59.3	-41.6	175	-70.5	-179.4	0	0	0	111.8	Y73 R74 Y80 S81 L95	Y73-L77 HydrophobicContact CD1-CD1 4.05Å; Y73-L77 HydrophobicContact CE1-CD1 3.41Å; Y73-L77 VanDerWaalsContact CE1-CD1 3.41Å; Y73-L77 HydrophobicContact CE1-CG 4.23Å; Y73-L77 HydrophobicContact CE2-CD1 4.38Å; Y73-L77 HydrophobicContact CE2-CG 4.48Å; Y73-L77 PolarHBondContact O-N 3.49Å; R74-L77 PolarHBondContact O-N 2.96Å; L77-Y80 PolarHBondContact O-N 3.39Å; L77-S81 PolarHBondContact O-N 2.75Å; L77-L95 HydrophobicContact CD2-CD1 3.76Å; L77-L95 HydrophobicContact CG-CD1 4.42Å
78	Q	88.9	Confident	90.1	Very high	127 Å²	127	73.3 Å²	73.3	59%	0.593	39%	0.394	S	S	*	.	H	α-helix	trans	-62.4	-46.6	174.7	-72.6	178	-6	0	0	111.5	R74 L75 R76 Y80 S81	R74-Q78 WeakPolarHBondContact O-CG 3.26Å; R74-Q78 PolarHBondContact O-N 3.11Å; L75-Q78 PolarHBondContact O-N 2.92Å; R76-Q78 VanDerWaalsContact C-N 3.28Å; R76-Q78 PolarHBondContact O-N 2.81Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 3.34Å; Q78-S81 WeakPolarHBondContact O-CB 3.45Å; Q78-S81 PolarHBondContact O-N 2.65Å; Q78-S81 PolarHBondContact O-OG 3.47Å
79	A	90.2	Very high	90.8	Very high	27 Å²	27	75.5 Å²	75.5	22%	0.223	40%	0.402	C	S	.	.	H	α-helix	trans	-59.4	-41.9	176	0	0	0	0	0	111.9	L75 R76 S81 L82 Y132 P135	L75-A79 WeakPolarHBondContact O-CB 3.5Å; L75-A79 PolarHBondContact O-N 2.92Å; R76-A79 PolarHBondContact O-N 3.4Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.36Å; A79-L82 WeakPolarHBondContact O-CB 3.46Å; A79-L82 PolarHBondContact O-N 2.91Å; A79-L82 VanDerWaalsContact O-N 3.13Å; A79-Y132 VanDerWaalsContact O-CE1 3.23Å; A79-Y132 WeakPolarHBondContact O-CE1 3.48Å; A79-Y132 VanDerWaalsContact O-CZ 3.32Å; A79-Y132 PolarHBondContact O-OH 3.45Å; A79-P135 HydrophobicContact CB-CB 4.27Å
80	Y	93	Very high	91.3	Very high	31 Å²	31	71.4 Å²	71.4	12%	0.122	38%	0.379	C	S	.	.	H	α-helix	trans	-69.8	-21	178.7	-61.2	-25.3	0	0	0	114.2	R76 L77 Q78 L82 V93 L95 G98 Y132 G134	R76-Y80 HydrophobicContact CB-CD2 4.47Å; R76-Y80 HydrophobicContact CB-CE2 4.01Å; R76-Y80 PolarHBondContact NH1-OH 2.79Å; R76-Y80 WeakPolarHBondContact O-CB 3.24Å; R76-Y80 VanDerWaalsContact O-CD2 3.24Å; R76-Y80 WeakPolarHBondContact O-CD2 3.4Å; R76-Y80 PolarHBondContact O-N 3Å; L77-Y80 PolarHBondContact O-N 3.39Å; Q78-Y80 VanDerWaalsContact C-N 3.31Å; Q78-Y80 PolarHBondContact O-N 3.34Å; Y80-L82 VanDerWaalsContact C-N 3.27Å; Y80-L82 PolarHBondContact O-N 3.28Å; Y80-V93 HydrophobicContact CD1-CG1 3.71Å; Y80-V93 HydrophobicContact CD2-CG1 3.79Å; Y80-V93 HydrophobicContact CE1-CG1 3.64Å; Y80-V93 HydrophobicContact CE2-CG1 3.72Å; Y80-V93 HydrophobicContact CG-CG1 3.8Å; Y80-L95 WeakPolarHBondContact CE2-O 3.49Å; Y80-L95 PolarHBondContact OH-O 3.03Å; Y80-G98 PolarHBondContact OH-N 2.99Å; Y80-Y132 WeakPolarHBondContact CA-OH 3.46Å; Y80-Y132 AromaticContact CD1-CD1 3.49Å; Y80-Y132 HydrophobicContact CD1-CD1 3.49Å; Y80-Y132 VanDerWaalsContact CD1-CD1 3.49Å; Y80-Y132 AromaticContact CD1-CD2 3.92Å; Y80-Y132 HydrophobicContact CD1-CD2 3.92Å; Y80-Y132 AromaticContact CD1-CE1 3.67Å; Y80-Y132 HydrophobicContact CD1-CE1 3.67Å; Y80-Y132 HydrophobicContact CD1-CE2 4.09Å; Y80-Y132 AromaticContact CD1-CG 3.6Å; Y80-Y132 HydrophobicContact CD1-CG 3.6Å; Y80-Y132 AromaticContact CD1-CZ 3.97Å; Y80-Y132 AromaticContact CE1-CD1 3.68Å; Y80-Y132 HydrophobicContact CE1-CD1 3.68Å; Y80-Y132 HydrophobicContact CE1-CD2 4.38Å; Y80-Y132 HydrophobicContact CE1-CE1 4.3Å; Y80-Y132 AromaticContact CE1-CG 3.7Å; Y80-Y132 HydrophobicContact CE1-CG 3.7Å; Y80-Y132 PolarHBondContact O-OH 3.3Å; Y80-Y132 VanDerWaalsContact O-OH 3.13Å; Y80-G134 VanDerWaalsContact CE1-O 3.25Å; Y80-G134 WeakPolarHBondContact CE1-O 3.49Å; Y80-G134 PolarHBondContact OH-O 3.4Å
81	S	93.1	Very high	91.5	Very high	46 Å²	46	69.9 Å²	69.9	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-69.9	-23.8	171.1	79.5	0	0	0	0	113.2	L77 Q78 A79 R83 G84 K85	L77-S81 PolarHBondContact O-N 2.75Å; Q78-S81 WeakPolarHBondContact O-CB 3.45Å; Q78-S81 PolarHBondContact O-N 2.65Å; Q78-S81 PolarHBondContact O-OG 3.47Å; A79-S81 VanDerWaalsContact C-N 3.29Å; A79-S81 PolarHBondContact O-N 3.36Å; S81-R83 PolarHBondContact O-N 3.41Å; S81-G84 PolarHBondContact O-N 3.36Å; S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.38Å; S81-K85 VanDerWaalsContact O-N 3.15Å; S81-K85 PolarHBondContact OG-NZ 3.48Å; S81-K85 VanDerWaalsContact OG-NZ 3.16Å
82	L	94.3	Very high	91.8	Very high	51 Å²	51	76.1 Å²	76.1	27%	0.267	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-40.8	-171.3	-175.7	59.5	0	0	0	112.7	A79 Y80 G84 K85 L86 L137 V416 V419	A79-L82 WeakPolarHBondContact O-CB 3.46Å; A79-L82 PolarHBondContact O-N 2.91Å; A79-L82 VanDerWaalsContact O-N 3.13Å; Y80-L82 VanDerWaalsContact C-N 3.27Å; Y80-L82 PolarHBondContact O-N 3.28Å; L82-G84 VanDerWaalsContact C-N 3.32Å; L82-G84 PolarHBondContact O-N 2.94Å; L82-K85 WeakPolarHBondContact O-CB 3.18Å; L82-K85 PolarHBondContact O-N 3.08Å; L82-K85 VanDerWaalsContact O-N 3.17Å; L82-L86 HydrophobicContact CD1-CD1 4.29Å; L82-L86 HydrophobicContact CD1-CG 4.2Å; L82-L86 HydrophobicContact CG-CD1 4.08Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 2.74Å; L82-L137 HydrophobicContact CB-CD2 4.3Å; L82-L137 HydrophobicContact CD2-CB 4.47Å; L82-L137 HydrophobicContact CD2-CD2 3.94Å; L82-L137 HydrophobicContact CG-CD2 3.88Å; L82-V416 HydrophobicContact CD1-CG2 4.23Å; L82-V416 HydrophobicContact CD2-CG2 4.41Å; L82-V419 HydrophobicContact CD2-CG2 3.77Å
83	R	95.6	Very high	92.2	Very high	37 Å²	37	73.8 Å²	73.8	14%	0.14	38%	0.378	C	S	.	.	H	α-helix	trans	-57.5	-45.5	179	-177.6	179	67.7	-178.6	2.3	111.8	S81 L86 G87 L88 G90 P91 G130 Y132 L137	S81-R83 PolarHBondContact O-N 3.41Å; R83-L86 PolarHBondContact O-N 3.29Å; R83-G87 PolarHBondContact O-N 2.92Å; R83-L88 HydrophobicContact CG-CB 3.76Å; R83-L88 WeakPolarHBondContact CG-O 3.21Å; R83-L88 PolarHBondContact O-N 3.49Å; R83-L88 VanDerWaalsContact O-N 3.1Å; R83-G90 PolarHBondContact NH1-O 3.49Å; R83-P91 PolarHBondContact NH1-O 3.49Å; R83-P91 PolarHBondContact NH2-O 2.99Å; R83-G130 WeakPolarHBondContact CD-O 3.21Å; R83-G130 PolarHBondContact NH1-O 3.23Å; R83-Y132 HydrophobicContact CB-CE2 3.69Å; R83-Y132 VanDerWaalsContact CB-OH 3.28Å; R83-Y132 WeakPolarHBondContact CB-OH 3.39Å; R83-Y132 PolarHBondContact N-OH 3.37Å; R83-L137 HydrophobicContact CB-CD1 4.07Å; R83-L137 HydrophobicContact CB-CD2 4.41Å; R83-L137 HydrophobicContact CG-CD1 4.37Å
84	G	93.7	Very high	92.3	Very high	57 Å²	57	71.5 Å²	71.5	59%	0.588	37%	0.374	S	S	*	.	H	α-helix	trans	-64.5	-42.7	176.7	0	0	0	0	0	112.2	S81 L82 L86 G87	S81-G84 PolarHBondContact O-N 3.36Å; L82-G84 VanDerWaalsContact C-N 3.32Å; L82-G84 PolarHBondContact O-N 2.94Å; G84-L86 PolarHBondContact O-N 3.35Å; G84-G87 PolarHBondContact O-N 3.34Å
85	K	94.2	Very high	92.1	Very high	156 Å²	156	66.5 Å²	66.5	68%	0.678	36%	0.36	S	S	*	.	H	α-helix	trans	-61	-30.3	175.7	-69.6	172.6	177.2	166.9	0	113.3	S81 L82 G87	S81-K85 WeakPolarHBondContact O-CG 3.34Å; S81-K85 PolarHBondContact O-N 3.38Å; S81-K85 VanDerWaalsContact O-N 3.15Å; S81-K85 PolarHBondContact OG-NZ 3.48Å; S81-K85 VanDerWaalsContact OG-NZ 3.16Å; L82-K85 WeakPolarHBondContact O-CB 3.18Å; L82-K85 PolarHBondContact O-N 3.08Å; L82-K85 VanDerWaalsContact O-N 3.17Å; K85-G87 VanDerWaalsContact C-N 3.34Å
86	L	95.1	Very high	91.7	Very high	22 Å²	22	66.8 Å²	66.8	12%	0.115	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3	176.2	-63.1	178.6	0	0	0	113.6	L82 R83 G84 L88 L137 K414 V416 V419	L82-L86 HydrophobicContact CD1-CD1 4.29Å; L82-L86 HydrophobicContact CD1-CG 4.2Å; L82-L86 HydrophobicContact CG-CD1 4.08Å; L82-L86 HydrophobicContact CG-CG 4.38Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 2.74Å; R83-L86 PolarHBondContact O-N 3.29Å; G84-L86 PolarHBondContact O-N 3.35Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 HydrophobicContact CB-CD1 4.01Å; L86-L88 HydrophobicContact CB-CG 4.16Å; L86-L88 HydrophobicContact CD1-CD1 4.3Å; L86-L137 HydrophobicContact CD1-CD2 3.79Å; L86-K414 HydrophobicContact CD2-CB 4.2Å; L86-V416 HydrophobicContact CD1-CG2 4.35Å; L86-V416 HydrophobicContact CD2-CG1 3.91Å; L86-V416 HydrophobicContact CD2-CG2 4.31Å; L86-V419 HydrophobicContact CD1-CG2 4.26Å
87	G	94.8	Very high	91.4	Very high	69 Å²	69	67.5 Å²	67.5	71%	0.711	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	20.7	-179.5	0	0	0	0	0	114.3	R83 G84 K85	R83-G87 PolarHBondContact O-N 2.92Å; G84-G87 PolarHBondContact O-N 3.34Å; K85-G87 VanDerWaalsContact C-N 3.34Å
88	L	95.9	Very high	91.3	Very high	22 Å²	22	63.7 Å²	63.7	12%	0.115	35%	0.348	C	S	.	.			trans	-92.7	137.1	-176.5	-66.7	168.9	0	0	0	111.6	R83 L86 V128 I139 V413	R83-L88 HydrophobicContact CG-CB 3.76Å; R83-L88 WeakPolarHBondContact CG-O 3.21Å; R83-L88 PolarHBondContact O-N 3.49Å; R83-L88 VanDerWaalsContact O-N 3.1Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 HydrophobicContact CB-CD1 4.01Å; L86-L88 HydrophobicContact CB-CG 4.16Å; L86-L88 HydrophobicContact CD1-CD1 4.3Å; L88-V128 HydrophobicContact CD2-CG1 4.1Å; L88-I139 HydrophobicContact CD1-CD1 3.68Å; L88-I139 HydrophobicContact CD1-CG1 3.65Å; L88-I139 HydrophobicContact CD1-CG2 4.46Å; L88-V413 HydrophobicContact CD2-CG1 4.37Å
89	K	96.4	Very high	91.3	Very high	148 Å²	148	57.8 Å²	57.8	64%	0.643	32%	0.321	S	S	*	.			trans	-78.8	168.1	168	-60.8	-178.2	-178.7	177.3	0	110.6	Y125 Y129 G130	K89-Y125 HydrophobicContact CB-CD1 3.84Å; K89-Y125 HydrophobicContact CB-CG 4.45Å; K89-Y129 WeakPolarHBondContact O-CB 3.48Å; K89-G130 PolarHBondContact O-N 2.93Å
90	G	95	Very high	90.8	Very high	13 Å²	13	57.4 Å²	57.4	13%	0.134	32%	0.316	C	S	.	.			trans	161.3	176.6	170.7	0	0	0	0	0	114.4	R83 Y125 G130	R83-G90 PolarHBondContact NH1-O 3.49Å; G90-Y125 VanDerWaalsContact C-CE1 3.48Å; G90-Y125 WeakPolarHBondContact O-CE1 3.41Å; G90-G130 WeakPolarHBondContact CA-O 3.25Å
91	P	93.2	Very high	90.1	Very high	6 Å²	6	59.5 Å²	59.5	4%	0.039	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-63.1	155	-173.6	24.4	-33.6	0	0	0	114	R83 V93 N99 L102 L121 Y125 L131	R83-P91 PolarHBondContact NH1-O 3.49Å; R83-P91 PolarHBondContact NH2-O 2.99Å; P91-V93 PolarHBondContact O-N 3.27Å; P91-N99 HydrophobicContact CG-CB 4.46Å; P91-L102 HydrophobicContact CB-CD1 3.75Å; P91-L102 HydrophobicContact CG-CD1 3.71Å; P91-L121 HydrophobicContact CB-CD2 4.36Å; P91-L121 HydrophobicContact CG-CD2 4.29Å; P91-Y125 WeakPolarHBondContact CA-OH 3.4Å; P91-Y125 HydrophobicContact CB-CE2 4.29Å; P91-L131 HydrophobicContact CG-CB 4.29Å
92	K	91.7	Very high	89.4	Confident	194 Å²	194	59.8 Å²	59.8	84%	0.843	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-59.9	133.5	173.6	-171.7	176.5	-179.4	179.4	0	109.7	N99	K92-N99 PolarHBondContact O-ND2 3.3Å
93	V	91.1	Very high	88.4	Confident	36 Å²	36	58.9 Å²	58.9	22%	0.218	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-91.7	127.3	-172.1	-171.4	0	0	0	0	109.4	Y80 P91 Y132	Y80-V93 HydrophobicContact CD1-CG1 3.71Å; Y80-V93 HydrophobicContact CD2-CG1 3.79Å; Y80-V93 HydrophobicContact CE1-CG1 3.64Å; Y80-V93 HydrophobicContact CE2-CG1 3.72Å; Y80-V93 HydrophobicContact CG-CG1 3.8Å; P91-V93 PolarHBondContact O-N 3.27Å; V93-Y132 HydrophobicContact CG1-CD2 4.24Å; V93-Y132 HydrophobicContact CG1-CG 4.47Å; V93-Y132 HydrophobicContact CG2-CD2 3.66Å; V93-Y132 HydrophobicContact CG2-CE2 4.15Å
94	N	88	Confident	86.8	Confident	65 Å²	65	59.7 Å²	59.7	35%	0.348	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-74.5	132.3	163.9	178.8	-79.3	0	0	0	108.6	L96 L97 G98 L101	N94-L96 VanDerWaalsContact C-N 3.29Å; N94-L96 PolarHBondContact O-N 2.79Å; N94-L96 PolarHBondContact OD1-N 2.89Å; N94-L97 PolarHBondContact OD1-N 3.45Å; N94-G98 WeakPolarHBondContact CA-O 3.3Å; N94-G98 WeakPolarHBondContact CB-O 3.46Å; N94-G98 PolarHBondContact N-O 2.86Å; N94-G98 WeakPolarHBondContact O-CA 3.32Å; N94-G98 PolarHBondContact O-N 2.92Å; N94-L101 HydrophobicContact CB-CD1 4.05Å
95	L	84.3	Confident	85	Confident	76 Å²	76	60.1 Å²	60.1	40%	0.398	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-36	-173.5	177.9	71.8	0	0	0	114.3	Y73 L77 Y80	Y73-L95 HydrophobicContact CD2-CD1 3.86Å; Y73-L95 HydrophobicContact CD2-CD2 3.8Å; Y73-L95 HydrophobicContact CD2-CG 4.09Å; Y73-L95 HydrophobicContact CE2-CD1 3.43Å; Y73-L95 VanDerWaalsContact CE2-CD1 3.43Å; Y73-L95 HydrophobicContact CE2-CD2 3.35Å; Y73-L95 HydrophobicContact CE2-CG 3.84Å; L77-L95 HydrophobicContact CD2-CD1 3.76Å; L77-L95 HydrophobicContact CG-CD1 4.42Å; Y80-L95 WeakPolarHBondContact CE2-O 3.49Å; Y80-L95 PolarHBondContact OH-O 3.03Å
96	L	80.2	Confident	82.8	Confident	101 Å²	101	58 Å²	58	53%	0.529	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-44	-176.1	-176.9	63.2	0	0	0	111.6	R76 N94	R76-L96 PolarHBondContact NH1-O 3.41Å; R76-L96 PolarHBondContact NH2-O 3.23Å; N94-L96 VanDerWaalsContact C-N 3.29Å; N94-L96 PolarHBondContact O-N 2.79Å; N94-L96 PolarHBondContact OD1-N 2.89Å
97	L	82.3	Confident	80.3	Confident	53 Å²	53	61.2 Å²	61.2	28%	0.277	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	1	-168.7	-63.9	176.4	0	0	0	113.6	N94 N99 V100 L101 G134	N94-L97 PolarHBondContact OD1-N 3.45Å; L97-N99 PolarHBondContact O-N 3.21Å; L97-V100 HydrophobicContact CB-CB 4.31Å; L97-V100 VanDerWaalsContact O-CB 3.3Å; L97-V100 WeakPolarHBondContact O-CB 3.29Å; L97-V100 WeakPolarHBondContact O-CG2 3.45Å; L97-V100 PolarHBondContact O-N 2.69Å; L97-V100 VanDerWaalsContact O-N 3.09Å; L97-L101 HydrophobicContact CB-CG 4.27Å; L97-L101 HydrophobicContact CD1-CD1 4.33Å; L97-L101 HydrophobicContact CD1-CD2 3.64Å; L97-L101 HydrophobicContact CD1-CG 3.89Å; L97-G134 PolarHBondContact O-N 3.27Å
98	G	87	Confident	78.2	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.01	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	63.7	-120.5	-173.6	0	0	0	0	0	111	Y80 N94	Y80-G98 PolarHBondContact OH-N 2.99Å; N94-G98 WeakPolarHBondContact CA-O 3.3Å; N94-G98 WeakPolarHBondContact CB-O 3.46Å; N94-G98 PolarHBondContact N-O 2.86Å; N94-G98 WeakPolarHBondContact O-CA 3.32Å; N94-G98 PolarHBondContact O-N 2.92Å
99	N	88	Confident	75.9	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.016	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	10.3	175.1	-60.9	120.8	0	0	0	112.7	P91 K92 L97 L101 L102 F103 L131 Y132	P91-N99 HydrophobicContact CG-CB 4.46Å; K92-N99 PolarHBondContact O-ND2 3.3Å; L97-N99 PolarHBondContact O-N 3.21Å; N99-L101 PolarHBondContact O-N 3.18Å; N99-L101 VanDerWaalsContact O-N 3.16Å; N99-L102 HydrophobicContact CB-CD1 3.87Å; N99-L102 HydrophobicContact CB-CG 4.26Å; N99-L102 VanDerWaalsContact O-CB 3.29Å; N99-L102 WeakPolarHBondContact O-CB 3.21Å; N99-L102 WeakPolarHBondContact O-CG 3.4Å; N99-L102 PolarHBondContact O-N 2.91Å; N99-F103 WeakPolarHBondContact O-CD2 3.41Å; N99-L131 HydrophobicContact CB-CB 4.35Å; N99-L131 WeakPolarHBondContact OD1-CA 3.38Å; N99-Y132 WeakPolarHBondContact CA-O 3.47Å; N99-Y132 VanDerWaalsContact CB-O 3.3Å; N99-Y132 WeakPolarHBondContact CB-O 3.3Å; N99-Y132 PolarHBondContact N-O 2.76Å; N99-Y132 PolarHBondContact OD1-N 3.4Å
100	V	80.7	Confident	73.5	Confident	19 Å²	19	63.2 Å²	63.2	12%	0.115	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-35	177.1	173.2	0	0	0	0	111.2	L97 L102 F103 T104 L133 E275	L97-V100 HydrophobicContact CB-CB 4.31Å; L97-V100 VanDerWaalsContact O-CB 3.3Å; L97-V100 WeakPolarHBondContact O-CB 3.29Å; L97-V100 WeakPolarHBondContact O-CG2 3.45Å; L97-V100 PolarHBondContact O-N 2.69Å; L97-V100 VanDerWaalsContact O-N 3.09Å; V100-L102 PolarHBondContact O-N 3.12Å; V100-L102 VanDerWaalsContact O-N 3.14Å; V100-F103 WeakPolarHBondContact O-CB 3.29Å; V100-F103 PolarHBondContact O-N 3.42Å; V100-T104 HydrophobicContact CG1-CG2 4.42Å; V100-T104 PolarHBondContact O-N 2.87Å; V100-L133 HydrophobicContact CG2-CB 4.49Å; V100-L133 HydrophobicContact CG2-CD2 4.25Å; V100-E275 HydrophobicContact CG2-CB 4.34Å
101	L	77.3	Confident	71.2	Confident	75 Å²	75	65.4 Å²	65.4	39%	0.393	35%	0.348	S	S	.	.	H	α-helix	trans	-60.3	-23.8	177.5	-68.2	177.6	0	0	0	114.3	N94 L97 N99 F103 T104 D105	N94-L101 HydrophobicContact CB-CD1 4.05Å; L97-L101 HydrophobicContact CB-CG 4.27Å; L97-L101 HydrophobicContact CD1-CD1 4.33Å; L97-L101 HydrophobicContact CD1-CD2 3.64Å; L97-L101 HydrophobicContact CD1-CG 3.89Å; N99-L101 PolarHBondContact O-N 3.18Å; N99-L101 VanDerWaalsContact O-N 3.16Å; L101-F103 PolarHBondContact O-N 3.44Å; L101-T104 WeakPolarHBondContact CA-OG1 3.45Å; L101-T104 PolarHBondContact O-N 2.77Å; L101-T104 PolarHBondContact O-OG1 3.18Å; L101-D105 PolarHBondContact O-N 3.44Å
102	L	78.9	Confident	69.2	Low	51 Å²	51	69.6 Å²	69.6	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-66.7	-25.3	174.1	-61	-179.6	0	0	0	112.2	P91 N99 V100 L117	P91-L102 HydrophobicContact CB-CD1 3.75Å; P91-L102 HydrophobicContact CG-CD1 3.71Å; N99-L102 HydrophobicContact CB-CD1 3.87Å; N99-L102 HydrophobicContact CB-CG 4.26Å; N99-L102 VanDerWaalsContact O-CB 3.29Å; N99-L102 WeakPolarHBondContact O-CB 3.21Å; N99-L102 WeakPolarHBondContact O-CG 3.4Å; N99-L102 PolarHBondContact O-N 2.91Å; V100-L102 PolarHBondContact O-N 3.12Å; V100-L102 VanDerWaalsContact O-N 3.14Å; L102-L117 HydrophobicContact CB-CD1 4.17Å; L102-L117 HydrophobicContact CB-CD2 4.17Å
103	F	72.6	Confident	67.7	Low	32 Å²	32	60.9 Å²	60.9	14%	0.14	33%	0.33	C	S	.	.	H	α-helix	trans	-90.9	-16.6	178.9	-56.9	-85.8	0	0	0	112.2	N99 V100 L101 W110 L117 F118 L131 L133	N99-F103 WeakPolarHBondContact O-CD2 3.41Å; V100-F103 WeakPolarHBondContact O-CB 3.29Å; V100-F103 PolarHBondContact O-N 3.42Å; L101-F103 PolarHBondContact O-N 3.44Å; F103-W110 WeakPolarHBondContact O-CH2 3.41Å; F103-W110 WeakPolarHBondContact O-CZ2 3.45Å; F103-L117 HydrophobicContact CD1-CD2 3.59Å; F103-L117 HydrophobicContact CE1-CD2 3.54Å; F103-L117 HydrophobicContact CG-CD2 4.2Å; F103-L117 HydrophobicContact CZ-CD2 4.1Å; F103-F118 AromaticContact CE1-CE2 3.67Å; F103-F118 HydrophobicContact CE1-CE2 3.67Å; F103-F118 AromaticContact CE1-CZ 3.71Å; F103-F118 HydrophobicContact CE1-CZ 3.71Å; F103-F118 HydrophobicContact CZ-CE2 4.33Å; F103-F118 AromaticContact CZ-CZ 3.9Å; F103-F118 HydrophobicContact CZ-CZ 3.9Å; F103-L131 HydrophobicContact CZ-CD2 4.24Å; F103-L133 HydrophobicContact CD2-CD2 4.13Å; F103-L133 HydrophobicContact CE2-CD2 3.52Å; F103-L133 HydrophobicContact CZ-CD2 4.23Å
104	T	63.6	Low	66.4	Low	54 Å²	54	59.9 Å²	59.9	33%	0.331	32%	0.323	S	S	.	.	H	α-helix	trans	-102.4	-2.6	179.5	65.5	0	0	0	0	114	V100 L101 P106 W110	V100-T104 HydrophobicContact CG1-CG2 4.42Å; V100-T104 PolarHBondContact O-N 2.87Å; L101-T104 WeakPolarHBondContact CA-OG1 3.45Å; L101-T104 PolarHBondContact O-N 2.77Å; L101-T104 PolarHBondContact O-OG1 3.18Å; T104-P106 VanDerWaalsContact O-CD 3.27Å; T104-P106 WeakPolarHBondContact O-CD 3.24Å; T104-W110 HydrophobicContact CG2-CZ2 4.34Å
105	D	55.8	Low	65.5	Low	66 Å²	66	58.4 Å²	58.4	35%	0.353	31%	0.314	S	S	.	.			trans	-58.4	116.4	-176.5	-173.7	-15.6	0	0	0	111.1	L101 A107 V108	L101-D105 PolarHBondContact O-N 3.44Å; D105-A107 PolarHBondContact O-N 3.24Å; D105-A107 VanDerWaalsContact OD1-CB 3.29Å; D105-A107 WeakPolarHBondContact OD1-CB 3.27Å; D105-A107 PolarHBondContact OD1-N 2.93Å; D105-V108 HydrophobicContact CB-CB 4.22Å; D105-V108 HydrophobicContact CB-CG2 3.8Å; D105-V108 CarbonylContact O-C 3.52Å; D105-V108 WeakPolarHBondContact O-CA 3.37Å; D105-V108 WeakPolarHBondContact O-CB 3.26Å; D105-V108 PolarHBondContact O-N 3.25Å; D105-V108 VanDerWaalsContact O-O 3.07Å
106	P	46.6	Very low	65.1	Low	111 Å²	111	61.5 Å²	61.5	72%	0.721	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.2	178.8	-19.9	31.6	0	0	0	113.9	T104 V108	T104-P106 VanDerWaalsContact O-CD 3.27Å; T104-P106 WeakPolarHBondContact O-CD 3.24Å; P106-V108 PolarHBondContact O-N 3.27Å
107	A	43.9	Very low	65.2	Low	90 Å²	90	57.6 Å²	57.6	74%	0.744	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-19.9	174.5	0	0	0	0	0	111.6	D105 K109	D105-A107 PolarHBondContact O-N 3.24Å; D105-A107 VanDerWaalsContact OD1-CB 3.29Å; D105-A107 WeakPolarHBondContact OD1-CB 3.27Å; D105-A107 PolarHBondContact OD1-N 2.93Å; A107-K109 PolarHBondContact O-N 3.43Å
108	V	49.5	Very low	65.5	Low	40 Å²	40	55.1 Å²	55.1	24%	0.242	29%	0.286	C	S	.	.	S	Bend	trans	-92.1	80.7	167.5	-169.1	0	0	0	0	107.3	D105 P106 W110 S113	D105-V108 HydrophobicContact CB-CB 4.22Å; D105-V108 HydrophobicContact CB-CG2 3.8Å; D105-V108 CarbonylContact O-C 3.52Å; D105-V108 WeakPolarHBondContact O-CA 3.37Å; D105-V108 WeakPolarHBondContact O-CB 3.26Å; D105-V108 PolarHBondContact O-N 3.25Å; D105-V108 VanDerWaalsContact O-O 3.07Å; P106-V108 PolarHBondContact O-N 3.27Å; V108-W110 PolarHBondContact O-N 3.49Å; V108-S113 VanDerWaalsContact CG1-CA 3.48Å
109	K	46.9	Very low	65.5	Low	157 Å²	157	56.7 Å²	56.7	68%	0.683	29%	0.294	S	S	*	.			trans	-45.5	116.6	176	-70.7	-177.7	-179.6	177.9	0	109.1	A107 N111 E112	A107-K109 PolarHBondContact O-N 3.43Å; K109-N111 PolarHBondContact O-N 3.46Å; K109-E112 PolarHBondContact O-N 3.41Å; K109-E112 VanDerWaalsContact O-N 3.08Å
110	W	46.4	Very low	65.5	Low	85 Å²	85	62.8 Å²	62.8	32%	0.322	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-10.9	-169.9	-86.3	85.7	0	0	0	115.8	F103 T104 V108 S113 F273	F103-W110 WeakPolarHBondContact O-CH2 3.41Å; F103-W110 WeakPolarHBondContact O-CZ2 3.45Å; T104-W110 HydrophobicContact CG2-CZ2 4.34Å; V108-W110 PolarHBondContact O-N 3.49Å; W110-S113 PolarHBondContact O-OG 3.41Å; W110-F273 AromaticContact CH2-CE1 3.83Å; W110-F273 HydrophobicContact CH2-CE1 3.83Å; W110-F273 AromaticContact CH2-CZ 3.49Å; W110-F273 HydrophobicContact CH2-CZ 3.49Å; W110-F273 VanDerWaalsContact CH2-CZ 3.49Å; W110-F273 HydrophobicContact CZ3-CE1 4.15Å; W110-F273 AromaticContact CZ3-CZ 3.59Å; W110-F273 HydrophobicContact CZ3-CZ 3.59Å
111	N	47.3	Very low	66	Low	58 Å²	58	62.3 Å²	62.3	31%	0.31	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-14	-174	-52.2	-4	0	0	0	113.4	K109 R518 T519	K109-N111 PolarHBondContact O-N 3.46Å; N111-R518 HydrophobicContact CB-CB 4.15Å; N111-R518 HydrophobicContact CB-CG 4.37Å; N111-T519 VanDerWaalsContact CA-O 3.24Å; N111-T519 WeakPolarHBondContact CA-O 3.28Å; N111-T519 WeakPolarHBondContact CB-O 3.34Å; N111-T519 PolarHBondContact O-OG1 2.99Å; N111-T519 PolarHBondContact OD1-O 3.33Å
112	E	52	Low	66.7	Low	95 Å²	95	59.8 Å²	59.8	44%	0.444	30%	0.303	S	S	.	.	S	Bend	trans	-127.9	8	177.6	-66.6	176.9	127.9	0	0	112.3	K109 R116	K109-E112 PolarHBondContact O-N 3.41Å; K109-E112 VanDerWaalsContact O-N 3.08Å; E112-R116 WeakPolarHBondContact O-CG 3.37Å; E112-R116 IonicContact OE1-CZ 2.78Å; E112-R116 IonicContact OE1-NH1 3.55Å; E112-R116 IonicContact OE1-NH2 3.96Å; E112-R116 PolarHBondContact OE1-NH2 2.85Å; E112-R116 IonicContact OE2-CZ 2.61Å; E112-R116 IonicContact OE2-NH1 3.1Å; E112-R116 PolarHBondContact OE2-NH1 3.16Å; E112-R116 IonicContact OE2-NH2 3.11Å; E112-R116 PolarHBondContact OE2-NH2 2.97Å
113	S	59.4	Low	67.4	Low	10 Å²	10	65.1 Å²	65.1	7%	0.07	33%	0.326	C	S	.	.	H	α-helix	trans	-74.5	-43.7	-156.6	61.6	0	0	0	0	115	V108 W110 L117	V108-S113 VanDerWaalsContact CG1-CA 3.48Å; W110-S113 PolarHBondContact O-OG 3.41Å; S113-L117 WeakPolarHBondContact O-CB 3.36Å; S113-L117 PolarHBondContact O-N 2.91Å
114	Q	63.7	Low	68.4	Low	15 Å²	15	68.1 Å²	68.1	7%	0.07	34%	0.343	C	S	.	.	H	α-helix	trans	-72.8	-46.8	-170.4	-67.2	-167.2	1	0	0	112.8	R116 L117 F118 V397 S521	Q114-R116 PolarHBondContact O-N 2.86Å; Q114-L117 PolarHBondContact O-N 2.9Å; Q114-F118 WeakPolarHBondContact O-CD2 3.48Å; Q114-F118 PolarHBondContact O-N 3.22Å; Q114-V397 VanDerWaalsContact OE1-CB 3.31Å; Q114-S521 PolarHBondContact NE2-OG 3.02Å
115	K	68.8	Low	69.9	Low	35 Å²	35	68.5 Å²	68.5	15%	0.152	34%	0.339	C	S	.	.	H	α-helix	trans	-53.6	-57.6	174.1	-178.3	-165.3	173.4	-165.9	0	109.9	L117 F118 Q119 F426 E439	K115-L117 VanDerWaalsContact C-N 3.28Å; K115-L117 PolarHBondContact O-N 2.99Å; K115-F118 PolarHBondContact O-N 3.01Å; K115-Q119 HydrophobicContact CG-CG 4.16Å; K115-Q119 WeakPolarHBondContact O-CB 3.39Å; K115-Q119 VanDerWaalsContact O-CG 3.24Å; K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 2.76Å; K115-F426 HydrophobicContact CB-CD1 3.75Å; K115-F426 HydrophobicContact CB-CE1 3.72Å; K115-E439 WeakPolarHBondContact CD-OE1 3.43Å; K115-E439 WeakPolarHBondContact CE-OE1 3.44Å; K115-E439 VanDerWaalsContact NZ-CD 3.29Å; K115-E439 IonicContact NZ-OE1 2.78Å; K115-E439 PolarHBondContact NZ-OE1 3.48Å
116	R	75.6	Confident	71.8	Confident	140 Å²	140	66.9 Å²	66.9	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-60.5	-39.5	-175.8	-71.3	-174.7	177.2	159.8	10.1	111.7	E112 Q114 K120	E112-R116 WeakPolarHBondContact O-CG 3.37Å; E112-R116 IonicContact OE1-CZ 2.78Å; E112-R116 IonicContact OE1-NH1 3.55Å; E112-R116 IonicContact OE1-NH2 3.96Å; E112-R116 PolarHBondContact OE1-NH2 2.85Å; E112-R116 IonicContact OE2-CZ 2.61Å; E112-R116 IonicContact OE2-NH1 3.1Å; E112-R116 PolarHBondContact OE2-NH1 3.16Å; E112-R116 IonicContact OE2-NH2 3.11Å; E112-R116 PolarHBondContact OE2-NH2 2.97Å; Q114-R116 PolarHBondContact O-N 2.86Å; R116-K120 WeakPolarHBondContact O-CB 3.35Å; R116-K120 PolarHBondContact O-N 3.49Å
117	L	83	Confident	74.1	Confident	19 Å²	19	64.9 Å²	64.9	10%	0.099	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-56.7	177.9	178.6	62.7	0	0	0	111.7	L102 F103 S113 Q114 K115 Q119 K120 L121	L102-L117 HydrophobicContact CB-CD1 4.17Å; L102-L117 HydrophobicContact CB-CD2 4.17Å; F103-L117 HydrophobicContact CD1-CD2 3.59Å; F103-L117 HydrophobicContact CE1-CD2 3.54Å; F103-L117 HydrophobicContact CG-CD2 4.2Å; F103-L117 HydrophobicContact CZ-CD2 4.1Å; S113-L117 WeakPolarHBondContact O-CB 3.36Å; S113-L117 PolarHBondContact O-N 2.91Å; Q114-L117 PolarHBondContact O-N 2.9Å; K115-L117 VanDerWaalsContact C-N 3.28Å; K115-L117 PolarHBondContact O-N 2.99Å; L117-Q119 PolarHBondContact O-N 3.23Å; L117-K120 PolarHBondContact O-N 3.4Å; L117-L121 HydrophobicContact CD1-CD1 3.89Å; L117-L121 HydrophobicContact CD1-CG 4.1Å; L117-L121 HydrophobicContact CG-CD1 3.92Å; L117-L121 HydrophobicContact CG-CG 4.46Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 WeakPolarHBondContact O-CG 3.11Å; L117-L121 PolarHBondContact O-N 2.77Å
118	F	88.1	Confident	76.6	Confident	1 Å²	1	62.1 Å²	62.1	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-68.2	-34.3	-176.5	-79.8	-79.1	0	0	0	112.4	F103 Q114 K115 L121 K122 Y129 L131 V140 L398 L422 P424 T427	F103-F118 AromaticContact CE1-CE2 3.67Å; F103-F118 HydrophobicContact CE1-CE2 3.67Å; F103-F118 AromaticContact CE1-CZ 3.71Å; F103-F118 HydrophobicContact CE1-CZ 3.71Å; F103-F118 HydrophobicContact CZ-CE2 4.33Å; F103-F118 AromaticContact CZ-CZ 3.9Å; F103-F118 HydrophobicContact CZ-CZ 3.9Å; Q114-F118 WeakPolarHBondContact O-CD2 3.48Å; Q114-F118 PolarHBondContact O-N 3.22Å; K115-F118 PolarHBondContact O-N 3.01Å; F118-L121 PolarHBondContact O-N 2.84Å; F118-K122 VanDerWaalsContact O-CB 3.31Å; F118-K122 WeakPolarHBondContact O-CB 3.43Å; F118-K122 PolarHBondContact O-N 3.1Å; F118-Y129 WeakPolarHBondContact CD1-OH 3.11Å; F118-L131 HydrophobicContact CE1-CD2 4.06Å; F118-V140 HydrophobicContact CD1-CG1 3.93Å; F118-V140 HydrophobicContact CE1-CG1 4Å; F118-V140 HydrophobicContact CE1-CG2 4Å; F118-L398 HydrophobicContact CD2-CD2 4.39Å; F118-L398 HydrophobicContact CE2-CD1 4.3Å; F118-L398 HydrophobicContact CE2-CD2 3.48Å; F118-L398 VanDerWaalsContact CE2-CD2 3.48Å; F118-L398 HydrophobicContact CZ-CD2 3.7Å; F118-L422 HydrophobicContact CE1-CD2 3.9Å; F118-L422 HydrophobicContact CZ-CD2 3.8Å; F118-P424 HydrophobicContact CB-CB 4.27Å; F118-P424 HydrophobicContact CD1-CB 3.76Å; F118-P424 HydrophobicContact CD1-CG 4.05Å; F118-P424 HydrophobicContact CD2-CB 4.15Å; F118-P424 HydrophobicContact CE1-CB 4.14Å; F118-P424 HydrophobicContact CE2-CB 4.48Å; F118-P424 HydrophobicContact CG-CB 3.81Å; F118-P424 HydrophobicContact CG-CG 4.38Å; F118-P424 HydrophobicContact CZ-CB 4.49Å; F118-T427 HydrophobicContact CB-CG2 4.1Å; F118-T427 WeakPolarHBondContact CB-OG1 3.43Å
119	Q	86.7	Confident	78.9	Confident	35 Å²	35	60.2 Å²	60.2	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-46	171.1	-73	-176.1	-26.5	0	0	112	K115 L117 L121 K122 Q123 T427 R430	K115-Q119 HydrophobicContact CG-CG 4.16Å; K115-Q119 WeakPolarHBondContact O-CB 3.39Å; K115-Q119 VanDerWaalsContact O-CG 3.24Å; K115-Q119 WeakPolarHBondContact O-CG 3.48Å; K115-Q119 PolarHBondContact O-N 2.76Å; L117-Q119 PolarHBondContact O-N 3.23Å; Q119-L121 VanDerWaalsContact C-N 3.31Å; Q119-L121 PolarHBondContact O-N 3.47Å; Q119-K122 WeakPolarHBondContact O-CB 3.49Å; Q119-K122 PolarHBondContact O-N 3.47Å; Q119-Q123 WeakPolarHBondContact O-CG 3.27Å; Q119-Q123 PolarHBondContact O-N 3.14Å; Q119-T427 HydrophobicContact CG-CG2 3.68Å; Q119-R430 PolarHBondContact NE2-O 3Å
120	K	88.2	Confident	81.2	Confident	130 Å²	130	52.7 Å²	52.7	57%	0.565	25%	0.25	S	S	*	.	H	α-helix	trans	-60	-42.9	175.2	-179.8	177.3	-179.1	178.4	0	111.3	R116 L117 Q123 I124	R116-K120 WeakPolarHBondContact O-CB 3.35Å; R116-K120 PolarHBondContact O-N 3.49Å; L117-K120 PolarHBondContact O-N 3.4Å; K120-Q123 PolarHBondContact O-N 2.73Å; K120-I124 HydrophobicContact CG-CD1 3.85Å; K120-I124 WeakPolarHBondContact O-CD1 3.45Å; K120-I124 VanDerWaalsContact O-CG1 3.23Å; K120-I124 WeakPolarHBondContact O-CG1 3.48Å; K120-I124 PolarHBondContact O-N 3.18Å
121	L	91.9	Very high	83.4	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-66.6	-39.1	176.7	-67.7	174.1	0	0	0	111.9	P91 L117 F118 Q119 I124 Y125 Y129	P91-L121 HydrophobicContact CB-CD2 4.36Å; P91-L121 HydrophobicContact CG-CD2 4.29Å; L117-L121 HydrophobicContact CD1-CD1 3.89Å; L117-L121 HydrophobicContact CD1-CG 4.1Å; L117-L121 HydrophobicContact CG-CD1 3.92Å; L117-L121 HydrophobicContact CG-CG 4.46Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 WeakPolarHBondContact O-CG 3.11Å; L117-L121 PolarHBondContact O-N 2.77Å; F118-L121 PolarHBondContact O-N 2.84Å; Q119-L121 VanDerWaalsContact C-N 3.31Å; Q119-L121 PolarHBondContact O-N 3.47Å; L121-I124 PolarHBondContact O-N 3.05Å; L121-Y125 HydrophobicContact CB-CD2 4.39Å; L121-Y125 HydrophobicContact CD2-CD2 4.04Å; L121-Y125 HydrophobicContact CD2-CE2 3.67Å; L121-Y125 WeakPolarHBondContact O-CB 3.42Å; L121-Y125 WeakPolarHBondContact O-CD2 3.36Å; L121-Y125 PolarHBondContact O-N 2.79Å; L121-Y129 HydrophobicContact CB-CE1 4.16Å; L121-Y129 HydrophobicContact CB-CE2 3.84Å; L121-Y129 VanDerWaalsContact CB-CZ 3.49Å; L121-Y129 WeakPolarHBondContact CB-OH 3.43Å; L121-Y129 HydrophobicContact CD1-CE2 4.01Å; L121-Y129 HydrophobicContact CG-CE2 4.46Å
122	K	92.6	Very high	85.5	Confident	22 Å²	22	45.9 Å²	45.9	10%	0.096	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-47.2	171.5	179	-167.9	168.3	-165.7	0	110.8	F118 Q119 I124 G126 N127 D431 D433	F118-K122 VanDerWaalsContact O-CB 3.31Å; F118-K122 WeakPolarHBondContact O-CB 3.43Å; F118-K122 PolarHBondContact O-N 3.1Å; Q119-K122 WeakPolarHBondContact O-CB 3.49Å; Q119-K122 PolarHBondContact O-N 3.47Å; K122-I124 VanDerWaalsContact C-N 3.32Å; K122-I124 PolarHBondContact O-N 3.01Å; K122-G126 CarbonylContact O-C 3.59Å; K122-G126 WeakPolarHBondContact O-CA 3.45Å; K122-G126 PolarHBondContact O-N 3.19Å; K122-N127 WeakPolarHBondContact CE-OD1 3.19Å; K122-D431 IonicContact NZ-OD1 3.62Å; K122-D431 PolarHBondContact NZ-OD1 3.17Å; K122-D431 IonicContact NZ-OD2 3.15Å; K122-D431 PolarHBondContact NZ-OD2 3.28Å; K122-D433 IonicContact NZ-OD2 3.27Å; K122-D433 PolarHBondContact NZ-OD2 3.3Å
123	Q	92.2	Very high	87.1	Confident	163 Å²	163	42.8 Å²	42.8	76%	0.762	21%	0.206	S	C	*	.	H	α-helix	trans	-61.2	-38.8	178	-72.8	172.8	-7.8	0	0	112.5	Q119 K120	Q119-Q123 WeakPolarHBondContact O-CG 3.27Å; Q119-Q123 PolarHBondContact O-N 3.14Å; K120-Q123 PolarHBondContact O-N 2.73Å
124	I	94.7	Very high	88.2	Confident	95 Å²	95	42.8 Å²	42.8	49%	0.487	21%	0.208	S	C	.	.	H	α-helix	trans	-79.1	-41.7	-178.3	-64	166.1	0	0	0	112.3	K120 L121 K122	K120-I124 HydrophobicContact CG-CD1 3.85Å; K120-I124 WeakPolarHBondContact O-CD1 3.45Å; K120-I124 VanDerWaalsContact O-CG1 3.23Å; K120-I124 WeakPolarHBondContact O-CG1 3.48Å; K120-I124 PolarHBondContact O-N 3.18Å; L121-I124 PolarHBondContact O-N 3.05Å; K122-I124 VanDerWaalsContact C-N 3.32Å; K122-I124 PolarHBondContact O-N 3.01Å
125	Y	95.7	Very high	89.3	Confident	62 Å²	62	45.1 Å²	45.1	24%	0.243	22%	0.224	C	C	.	.	H	α-helix	trans	-111.7	-8.6	-168.6	-58.4	-63.9	0	0	0	114.7	K89 G90 P91 L121 Y129	K89-Y125 HydrophobicContact CB-CD1 3.84Å; K89-Y125 HydrophobicContact CB-CG 4.45Å; G90-Y125 VanDerWaalsContact C-CE1 3.48Å; G90-Y125 WeakPolarHBondContact O-CE1 3.41Å; P91-Y125 WeakPolarHBondContact CA-OH 3.4Å; P91-Y125 HydrophobicContact CB-CE2 4.29Å; L121-Y125 HydrophobicContact CB-CD2 4.39Å; L121-Y125 HydrophobicContact CD2-CD2 4.04Å; L121-Y125 HydrophobicContact CD2-CE2 3.67Å; L121-Y125 WeakPolarHBondContact O-CB 3.42Å; L121-Y125 WeakPolarHBondContact O-CD2 3.36Å; L121-Y125 PolarHBondContact O-N 2.79Å; Y125-Y129 HydrophobicContact CD2-CD2 4.47Å
126	G	94.6	Very high	90.3	Very high	32 Å²	32	46.4 Å²	46.4	33%	0.33	23%	0.231	S	C	.	.			trans	89.3	-170.4	-175.8	0	0	0	0	0	113.4	K122 V128 Y129	K122-G126 CarbonylContact O-C 3.59Å; K122-G126 WeakPolarHBondContact O-CA 3.45Å; K122-G126 PolarHBondContact O-N 3.19Å; G126-V128 VanDerWaalsContact C-N 3.25Å; G126-V128 PolarHBondContact O-N 2.78Å; G126-Y129 WeakPolarHBondContact O-CD1 3.45Å
127	N	94.9	Very high	91.2	Very high	68 Å²	68	40 Å²	40	36%	0.364	21%	0.207	S	C	.	.	S	Bend	trans	-72	-16.3	-172.9	-65.3	-22	0	0	0	114.6	K122 T142 D143	K122-N127 WeakPolarHBondContact CE-OD1 3.19Å; N127-T142 VanDerWaalsContact CA-OG1 3.23Å; N127-T142 WeakPolarHBondContact CA-OG1 3.48Å; N127-T142 PolarHBondContact O-N 2.85Å; N127-T142 PolarHBondContact O-OG1 3.38Å; N127-D143 HydrophobicContact CB-CB 4Å
128	V	97.1	Very high	91.8	Very high	32 Å²	32	39.1 Å²	39.1	19%	0.194	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	118.9	-178.9	-174.4	0	0	0	0	110	L88 G126 I139 V140 V141 D143 L146 V413	L88-V128 HydrophobicContact CD2-CG1 4.1Å; G126-V128 VanDerWaalsContact C-N 3.25Å; G126-V128 PolarHBondContact O-N 2.78Å; V128-I139 HydrophobicContact CG1-CG2 3.77Å; V128-V140 WeakPolarHBondContact CA-O 3.19Å; V128-V141 HydrophobicContact CG1-CG2 4.48Å; V128-D143 HydrophobicContact CG2-CB 4.33Å; V128-L146 HydrophobicContact CG1-CD2 4.45Å; V128-L146 HydrophobicContact CG2-CD2 3.61Å; V128-V413 HydrophobicContact CG1-CG1 4.16Å; V128-V413 HydrophobicContact CG1-CG2 4.15Å
129	Y	96.9	Very high	92.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160.5	-179.5	62.8	-90.3	0	0	0	111.9	K89 F118 L121 Y125 G126 L131 I139 V140	K89-Y129 WeakPolarHBondContact O-CB 3.48Å; F118-Y129 WeakPolarHBondContact CD1-OH 3.11Å; L121-Y129 HydrophobicContact CB-CE1 4.16Å; L121-Y129 HydrophobicContact CB-CE2 3.84Å; L121-Y129 VanDerWaalsContact CB-CZ 3.49Å; L121-Y129 WeakPolarHBondContact CB-OH 3.43Å; L121-Y129 HydrophobicContact CD1-CE2 4.01Å; L121-Y129 HydrophobicContact CG-CE2 4.46Å; Y125-Y129 HydrophobicContact CD2-CD2 4.47Å; G126-Y129 WeakPolarHBondContact O-CD1 3.45Å; Y129-L131 HydrophobicContact CE2-CD2 4.26Å; Y129-I139 CarbonylContact O-C 3.57Å; Y129-I139 WeakPolarHBondContact O-CA 3.04Å; Y129-V140 HydrophobicContact CD1-CB 4.27Å; Y129-V140 HydrophobicContact CD2-CB 4.19Å; Y129-V140 HydrophobicContact CD2-CG2 4.13Å; Y129-V140 HydrophobicContact CE1-CB 3.87Å; Y129-V140 HydrophobicContact CE1-CG1 3.91Å; Y129-V140 HydrophobicContact CE2-CB 3.78Å; Y129-V140 HydrophobicContact CE2-CG1 4.33Å; Y129-V140 HydrophobicContact CE2-CG2 3.56Å; Y129-V140 HydrophobicContact CG-CB 4.42Å; Y129-V140 PolarHBondContact N-O 3.24Å; Y129-V140 PolarHBondContact O-N 3.12Å
130	G	96.3	Very high	92.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.3	-179.3	0	0	0	0	0	112.8	R83 K89 G90 N138	R83-G130 WeakPolarHBondContact CD-O 3.21Å; R83-G130 PolarHBondContact NH1-O 3.23Å; K89-G130 PolarHBondContact O-N 2.93Å; G90-G130 WeakPolarHBondContact CA-O 3.25Å; G130-N138 WeakPolarHBondContact CA-O 3.45Å
131	L	92.8	Very high	93	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.7	166.9	69.5	83.4	0	0	0	110.2	P91 N99 F103 F118 Y129 L133 N138 V140	P91-L131 HydrophobicContact CG-CB 4.29Å; N99-L131 HydrophobicContact CB-CB 4.35Å; N99-L131 WeakPolarHBondContact OD1-CA 3.38Å; F103-L131 HydrophobicContact CZ-CD2 4.24Å; F118-L131 HydrophobicContact CE1-CD2 4.06Å; Y129-L131 HydrophobicContact CE2-CD2 4.26Å; L131-L133 HydrophobicContact CD1-CD1 4.41Å; L131-L133 HydrophobicContact CD1-CD2 3.6Å; L131-L133 HydrophobicContact CD1-CG 3.61Å; L131-N138 HydrophobicContact CD1-CB 3.84Å; L131-N138 HydrophobicContact CG-CB 4.18Å; L131-N138 PolarHBondContact N-O 2.91Å; L131-N138 PolarHBondContact O-N 3.46Å; L131-N138 VanDerWaalsContact O-O 3.13Å; L131-V140 HydrophobicContact CD2-CG2 3.39Å; L131-V140 HydrophobicContact CG-CG2 3.89Å
132	Y	90.8	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.8	177.3	-74.1	-83.6	0	0	0	110.4	A79 Y80 R83 V93 N99 Q136 L137	A79-Y132 VanDerWaalsContact O-CE1 3.23Å; A79-Y132 WeakPolarHBondContact O-CE1 3.48Å; A79-Y132 VanDerWaalsContact O-CZ 3.32Å; A79-Y132 PolarHBondContact O-OH 3.45Å; Y80-Y132 WeakPolarHBondContact CA-OH 3.46Å; Y80-Y132 AromaticContact CD1-CD1 3.49Å; Y80-Y132 HydrophobicContact CD1-CD1 3.49Å; Y80-Y132 VanDerWaalsContact CD1-CD1 3.49Å; Y80-Y132 AromaticContact CD1-CD2 3.92Å; Y80-Y132 HydrophobicContact CD1-CD2 3.92Å; Y80-Y132 AromaticContact CD1-CE1 3.67Å; Y80-Y132 HydrophobicContact CD1-CE1 3.67Å; Y80-Y132 HydrophobicContact CD1-CE2 4.09Å; Y80-Y132 AromaticContact CD1-CG 3.6Å; Y80-Y132 HydrophobicContact CD1-CG 3.6Å; Y80-Y132 AromaticContact CD1-CZ 3.97Å; Y80-Y132 AromaticContact CE1-CD1 3.68Å; Y80-Y132 HydrophobicContact CE1-CD1 3.68Å; Y80-Y132 HydrophobicContact CE1-CD2 4.38Å; Y80-Y132 HydrophobicContact CE1-CE1 4.3Å; Y80-Y132 AromaticContact CE1-CG 3.7Å; Y80-Y132 HydrophobicContact CE1-CG 3.7Å; Y80-Y132 PolarHBondContact O-OH 3.3Å; Y80-Y132 VanDerWaalsContact O-OH 3.13Å; R83-Y132 HydrophobicContact CB-CE2 3.69Å; R83-Y132 VanDerWaalsContact CB-OH 3.28Å; R83-Y132 WeakPolarHBondContact CB-OH 3.39Å; R83-Y132 PolarHBondContact N-OH 3.37Å; V93-Y132 HydrophobicContact CG1-CD2 4.24Å; V93-Y132 HydrophobicContact CG1-CG 4.47Å; V93-Y132 HydrophobicContact CG2-CD2 3.66Å; V93-Y132 HydrophobicContact CG2-CE2 4.15Å; N99-Y132 WeakPolarHBondContact CA-O 3.47Å; N99-Y132 VanDerWaalsContact CB-O 3.3Å; N99-Y132 WeakPolarHBondContact CB-O 3.3Å; N99-Y132 PolarHBondContact N-O 2.76Å; N99-Y132 PolarHBondContact OD1-N 3.4Å; Y132-Q136 WeakPolarHBondContact CA-O 3.28Å; Y132-L137 HydrophobicContact CD1-CB 4.13Å; Y132-L137 HydrophobicContact CD1-CD1 4.38Å; Y132-L137 HydrophobicContact CD2-CD1 4.42Å; Y132-L137 HydrophobicContact CE1-CB 3.66Å; Y132-L137 HydrophobicContact CE1-CD1 3.97Å; Y132-L137 HydrophobicContact CE1-CG 4.32Å; Y132-L137 HydrophobicContact CE2-CD1 4Å
133	L	85.1	Confident	93.3	Very high	29 Å²	29	32.3 Å²	32.3	15%	0.152	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	105.3	166	-60.9	-177.7	0	0	0	107	V100 F103 L131 Q136 E275	V100-L133 HydrophobicContact CG2-CB 4.49Å; V100-L133 HydrophobicContact CG2-CD2 4.25Å; F103-L133 HydrophobicContact CD2-CD2 4.13Å; F103-L133 HydrophobicContact CE2-CD2 3.52Å; F103-L133 HydrophobicContact CZ-CD2 4.23Å; L131-L133 HydrophobicContact CD1-CD1 4.41Å; L131-L133 HydrophobicContact CD1-CD2 3.6Å; L131-L133 HydrophobicContact CD1-CG 3.61Å; L133-Q136 PolarHBondContact N-O 2.95Å; L133-Q136 WeakPolarHBondContact O-CB 3.45Å; L133-Q136 PolarHBondContact O-N 3.35Å; L133-E275 HydrophobicContact CB-CG 4.24Å
134	G	83.6	Confident	93.4	Very high	10 Å²	10	25.8 Å²	25.8	10%	0.103	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-126.3	-164.1	0	0	0	0	0	110.8	Y80 L97	Y80-G134 VanDerWaalsContact CE1-O 3.25Å; Y80-G134 WeakPolarHBondContact CE1-O 3.49Å; Y80-G134 PolarHBondContact OH-O 3.4Å; L97-G134 PolarHBondContact O-N 3.27Å
135	P	86.8	Confident	93.4	Very high	64 Å²	64	24.2 Å²	24.2	42%	0.416	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.5	172.6	34.7	-33.8	0	0	0	113.8	R76 A79 L137	R76-P135 HydrophobicContact CG-CB 4.37Å; A79-P135 HydrophobicContact CB-CB 4.27Å; P135-L137 PolarHBondContact O-N 3.23Å
136	Q	89.6	Confident	93.5	Very high	62 Å²	62	21.4 Å²	21.4	29%	0.29	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120	-172.1	179.6	61.2	57.3	0	0	111.3	Y132 L133 N138 G418 Q420	Y132-Q136 WeakPolarHBondContact CA-O 3.28Å; L133-Q136 PolarHBondContact N-O 2.95Å; L133-Q136 WeakPolarHBondContact O-CB 3.45Å; L133-Q136 PolarHBondContact O-N 3.35Å; Q136-N138 PolarHBondContact O-N 3.03Å; Q136-N138 PolarHBondContact O-ND2 2.86Å; Q136-G418 PolarHBondContact NE2-O 2.59Å; Q136-Q420 VanDerWaalsContact CG-CD 3.47Å; Q136-Q420 HydrophobicContact CG-CG 4.08Å
137	L	94.3	Very high	93.6	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.9	172.3	-179	57.9	0	0	0	110.1	L82 R83 L86 Y132 P135 V419 Q420	L82-L137 HydrophobicContact CB-CD2 4.3Å; L82-L137 HydrophobicContact CD2-CB 4.47Å; L82-L137 HydrophobicContact CD2-CD2 3.94Å; L82-L137 HydrophobicContact CG-CD2 3.88Å; R83-L137 HydrophobicContact CB-CD1 4.07Å; R83-L137 HydrophobicContact CB-CD2 4.41Å; R83-L137 HydrophobicContact CG-CD1 4.37Å; L86-L137 HydrophobicContact CD1-CD2 3.79Å; Y132-L137 HydrophobicContact CD1-CB 4.13Å; Y132-L137 HydrophobicContact CD1-CD1 4.38Å; Y132-L137 HydrophobicContact CD2-CD1 4.42Å; Y132-L137 HydrophobicContact CE1-CB 3.66Å; Y132-L137 HydrophobicContact CE1-CD1 3.97Å; Y132-L137 HydrophobicContact CE1-CG 4.32Å; Y132-L137 HydrophobicContact CE2-CD1 4Å; P135-L137 PolarHBondContact O-N 3.23Å; L137-V419 HydrophobicContact CD2-CG1 4.33Å; L137-V419 HydrophobicContact CD2-CG2 4.14Å; L137-V419 HydrophobicContact CG-CG1 4.22Å; L137-Q420 PolarHBondContact O-N 3.35Å
138	N	94.1	Very high	93.6	Very high	2 Å²	2	20 Å²	20	1%	0.011	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.2	171.8	-76.9	-91.2	0	0	0	108.9	G130 L131 Q136 V140 Q420	G130-N138 WeakPolarHBondContact CA-O 3.45Å; L131-N138 HydrophobicContact CD1-CB 3.84Å; L131-N138 HydrophobicContact CG-CB 4.18Å; L131-N138 PolarHBondContact N-O 2.91Å; L131-N138 PolarHBondContact O-N 3.46Å; L131-N138 VanDerWaalsContact O-O 3.13Å; Q136-N138 PolarHBondContact O-N 3.03Å; Q136-N138 PolarHBondContact O-ND2 2.86Å; N138-V140 PolarHBondContact O-N 3.21Å; N138-Q420 CarbonylContact C-O 3.41Å; N138-Q420 WeakPolarHBondContact CA-O 3.39Å; N138-Q420 VanDerWaalsContact OD1-CB 3.31Å; N138-Q420 WeakPolarHBondContact OD1-CB 3.24Å; N138-Q420 PolarHBondContact OD1-OE1 3.42Å; N138-Q420 VanDerWaalsContact OD1-OE1 3.12Å
139	I	97	Very high	93.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.9	169.8	-56.8	179.4	0	0	0	107.1	L88 V128 Y129 V141 F415 V419 Q420 V421 L422	L88-I139 HydrophobicContact CD1-CD1 3.68Å; L88-I139 HydrophobicContact CD1-CG1 3.65Å; L88-I139 HydrophobicContact CD1-CG2 4.46Å; V128-I139 HydrophobicContact CG1-CG2 3.77Å; Y129-I139 CarbonylContact O-C 3.57Å; Y129-I139 WeakPolarHBondContact O-CA 3.04Å; I139-V141 HydrophobicContact CG2-CG2 4.1Å; I139-F415 HydrophobicContact CD1-CD1 3.68Å; I139-F415 HydrophobicContact CD1-CE1 3.71Å; I139-F415 HydrophobicContact CG2-CE1 4.3Å; I139-V419 HydrophobicContact CD1-CG1 3.53Å; I139-V419 HydrophobicContact CG1-CG1 3.58Å; I139-Q420 PolarHBondContact N-O 2.89Å; I139-V421 CarbonylContact O-C 3.51Å; I139-V421 VanDerWaalsContact O-CA 3.29Å; I139-V421 WeakPolarHBondContact O-CA 3.27Å; I139-L422 PolarHBondContact O-N 3.02Å
140	V	96	Very high	93.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.7	174.2	-172.3	0	0	0	0	108.7	F118 V128 Y129 L131 N138 L422 P424	F118-V140 HydrophobicContact CD1-CG1 3.93Å; F118-V140 HydrophobicContact CE1-CG1 4Å; F118-V140 HydrophobicContact CE1-CG2 4Å; V128-V140 WeakPolarHBondContact CA-O 3.19Å; Y129-V140 HydrophobicContact CD1-CB 4.27Å; Y129-V140 HydrophobicContact CD2-CB 4.19Å; Y129-V140 HydrophobicContact CD2-CG2 4.13Å; Y129-V140 HydrophobicContact CE1-CB 3.87Å; Y129-V140 HydrophobicContact CE1-CG1 3.91Å; Y129-V140 HydrophobicContact CE2-CB 3.78Å; Y129-V140 HydrophobicContact CE2-CG1 4.33Å; Y129-V140 HydrophobicContact CE2-CG2 3.56Å; Y129-V140 HydrophobicContact CG-CB 4.42Å; Y129-V140 PolarHBondContact N-O 3.24Å; Y129-V140 PolarHBondContact O-N 3.12Å; L131-V140 HydrophobicContact CD2-CG2 3.39Å; L131-V140 HydrophobicContact CG-CG2 3.89Å; N138-V140 PolarHBondContact O-N 3.21Å; V140-L422 WeakPolarHBondContact CA-O 3.38Å; V140-L422 HydrophobicContact CG2-CD2 4.3Å; V140-P424 HydrophobicContact CG1-CG 3.79Å
141	V	96.5	Very high	93.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.3	178.9	177.5	0	0	0	0	109.5	V128 I139 D143 L146 A147 I150 V421 L422 F423 P424	V128-V141 HydrophobicContact CG1-CG2 4.48Å; I139-V141 HydrophobicContact CG2-CG2 4.1Å; V141-D143 HydrophobicContact CG1-CB 4.42Å; V141-D143 WeakPolarHBondContact CG1-O 3.38Å; V141-L146 HydrophobicContact CG1-CB 4.09Å; V141-L146 HydrophobicContact CG1-CD2 3.91Å; V141-L146 HydrophobicContact CG1-CG 3.95Å; V141-L146 HydrophobicContact CG2-CD2 4.05Å; V141-A147 HydrophobicContact CG1-CB 4.3Å; V141-I150 HydrophobicContact CG2-CD1 4.39Å; V141-V421 HydrophobicContact CB-CG1 4.32Å; V141-V421 HydrophobicContact CG2-CG1 3.61Å; V141-L422 PolarHBondContact N-O 3.44Å; V141-F423 HydrophobicContact CB-CD1 4.02Å; V141-F423 HydrophobicContact CB-CE1 3.78Å; V141-F423 HydrophobicContact CG1-CD1 4.29Å; V141-F423 HydrophobicContact CG1-CE1 3.9Å; V141-F423 HydrophobicContact CG2-CE1 4.48Å; V141-P424 WeakPolarHBondContact O-CD 3.08Å
142	T	94.6	Very high	93.8	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.031	12%	0.122	C	C	.	.			trans	-108.3	-11.4	169.2	53.3	0	0	0	0	112.3	N127 L144 P424 I428	N127-T142 VanDerWaalsContact CA-OG1 3.23Å; N127-T142 WeakPolarHBondContact CA-OG1 3.48Å; N127-T142 PolarHBondContact O-N 2.85Å; N127-T142 PolarHBondContact O-OG1 3.38Å; T142-L144 PolarHBondContact O-N 2.96Å; T142-P424 HydrophobicContact CG2-CG 3.67Å; T142-I428 HydrophobicContact CG2-CG1 4.29Å
143	D	95.4	Very high	94	Very high	50 Å²	50	29.1 Å²	29.1	27%	0.267	15%	0.149	S	C	.	.			trans	-65.4	113.6	170.4	-174.5	-68.7	0	0	0	110.2	N127 V128 V141 D145 L146 A147	N127-D143 HydrophobicContact CB-CB 4Å; V128-D143 HydrophobicContact CG2-CB 4.33Å; V141-D143 HydrophobicContact CG1-CB 4.42Å; V141-D143 WeakPolarHBondContact CG1-O 3.38Å; D143-D145 VanDerWaalsContact C-N 3.27Å; D143-D145 PolarHBondContact O-N 2.87Å; D143-D145 WeakPolarHBondContact OD1-CB 3.38Å; D143-D145 PolarHBondContact OD1-N 3.39Å; D143-D145 VanDerWaalsContact OD1-N 3.08Å; D143-L146 HydrophobicContact CB-CB 4.01Å; D143-L146 WeakPolarHBondContact OD1-CB 3.21Å; D143-L146 PolarHBondContact OD1-N 3.47Å; D143-A147 WeakPolarHBondContact O-CB 3.45Å; D143-A147 PolarHBondContact O-N 3.26Å
144	L	94.6	Very high	94.5	Very high	26 Å²	26	31.3 Å²	31.3	14%	0.136	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-31.6	-171.5	-54.6	-173.9	0	0	0	112.4	T142 A147 K148 I428 V434 H470 M472 A473	T142-L144 PolarHBondContact O-N 2.96Å; L144-A147 PolarHBondContact O-N 2.71Å; L144-K148 PolarHBondContact O-N 3.46Å; L144-I428 HydrophobicContact CD2-CG2 3.69Å; L144-V434 HydrophobicContact CD1-CG1 4.04Å; L144-V434 HydrophobicContact CD1-CG2 3.97Å; L144-H470 VanDerWaalsContact C-CE1 3.49Å; L144-H470 HydrophobicContact CB-CB 4.41Å; L144-H470 WeakPolarHBondContact CB-ND1 3.28Å; L144-H470 HydrophobicContact CD1-CB 3.7Å; L144-H470 PolarHBondContact O-CE1 2.99Å; L144-M472 HydrophobicContact CB-CB 4.24Å; L144-M472 HydrophobicContact CD2-CB 4.38Å; L144-M472 VanDerWaalsContact O-CG 3.31Å; L144-M472 WeakPolarHBondContact O-CG 3.38Å; L144-A473 HydrophobicContact CD1-CB 4.14Å
145	D	95.7	Very high	95	Very high	61 Å²	61	32.2 Å²	32.2	33%	0.326	16%	0.159	S	C	.	.	H	α-helix	trans	-75.6	-43.7	-175.7	-125.6	3.1	0	0	0	110.4	D143 A147 K148 D149 R411 H470	D143-D145 VanDerWaalsContact C-N 3.27Å; D143-D145 PolarHBondContact O-N 2.87Å; D143-D145 WeakPolarHBondContact OD1-CB 3.38Å; D143-D145 PolarHBondContact OD1-N 3.39Å; D143-D145 VanDerWaalsContact OD1-N 3.08Å; D145-A147 VanDerWaalsContact C-N 3.33Å; D145-K148 PolarHBondContact O-N 2.85Å; D145-D149 PolarHBondContact O-N 3.2Å; D145-R411 IonicContact OD1-NH2 2.73Å; D145-R411 PolarHBondContact OD1-NH2 3.48Å; D145-R411 IonicContact OD2-CZ 3.56Å; D145-R411 IonicContact OD2-NH1 2.79Å; D145-R411 PolarHBondContact OD2-NH1 3.47Å; D145-R411 IonicContact OD2-NH2 3.46Å; D145-R411 PolarHBondContact OD2-NH2 3.07Å; D145-H470 IonicContact OD1-NE2 2.78Å
146	L	97.2	Very high	95.4	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-63.1	-39.9	169.1	-179.4	58.4	0	0	0	111.1	V128 V141 D143 K148 D149 I150 I410 V413 F415	V128-L146 HydrophobicContact CG1-CD2 4.45Å; V128-L146 HydrophobicContact CG2-CD2 3.61Å; V141-L146 HydrophobicContact CG1-CB 4.09Å; V141-L146 HydrophobicContact CG1-CD2 3.91Å; V141-L146 HydrophobicContact CG1-CG 3.95Å; V141-L146 HydrophobicContact CG2-CD2 4.05Å; D143-L146 HydrophobicContact CB-CB 4.01Å; D143-L146 WeakPolarHBondContact OD1-CB 3.21Å; D143-L146 PolarHBondContact OD1-N 3.47Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3Å; L146-D149 PolarHBondContact O-N 2.59Å; L146-I150 HydrophobicContact CD1-CD1 3.88Å; L146-I150 HydrophobicContact CD1-CG1 4.18Å; L146-I150 HydrophobicContact CG-CD1 3.85Å; L146-I150 WeakPolarHBondContact O-CG1 3.29Å; L146-I150 PolarHBondContact O-N 3.26Å; L146-I410 HydrophobicContact CD1-CB 3.8Å; L146-I410 HydrophobicContact CD1-CG2 3.51Å; L146-V413 HydrophobicContact CD2-CG2 4.02Å; L146-F415 HydrophobicContact CD1-CE2 4.42Å; L146-F415 HydrophobicContact CD1-CZ 4.39Å
147	A	96.2	Very high	95.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60.9	-40.9	175.3	0	0	0	0	0	112.2	V141 D143 L144 D145 I150 L151 F423 M472	V141-A147 HydrophobicContact CG1-CB 4.3Å; D143-A147 WeakPolarHBondContact O-CB 3.45Å; D143-A147 PolarHBondContact O-N 3.26Å; L144-A147 PolarHBondContact O-N 2.71Å; D145-A147 VanDerWaalsContact C-N 3.33Å; A147-I150 PolarHBondContact O-N 2.98Å; A147-L151 VanDerWaalsContact O-CB 3.29Å; A147-L151 WeakPolarHBondContact O-CB 3.3Å; A147-L151 WeakPolarHBondContact O-CG 3.33Å; A147-L151 PolarHBondContact O-N 2.59Å; A147-F423 HydrophobicContact CB-CD1 3.72Å; A147-F423 HydrophobicContact CB-CE1 3.49Å; A147-F423 VanDerWaalsContact CB-CE1 3.49Å; A147-M472 HydrophobicContact CB-CB 4.09Å; A147-M472 HydrophobicContact CB-CG 3.99Å; A147-M472 HydrophobicContact CB-SD 4.49Å
148	K	96.1	Very high	95.9	Very high	69 Å²	69	31.5 Å²	31.5	30%	0.3	16%	0.158	S	C	.	.	H	α-helix	trans	-64.4	-42.8	175.3	-178.4	177.8	-179.9	179.2	0	111.3	L144 D145 L146 I150 I152 K153 M472	L144-K148 PolarHBondContact O-N 3.46Å; D145-K148 PolarHBondContact O-N 2.85Å; L146-K148 VanDerWaalsContact C-N 3.32Å; L146-K148 PolarHBondContact O-N 3Å; K148-I150 VanDerWaalsContact C-N 3.34Å; K148-I150 PolarHBondContact O-N 3.12Å; K148-I152 HydrophobicContact CG-CD1 4.49Å; K148-I152 WeakPolarHBondContact O-CB 3.38Å; K148-I152 PolarHBondContact O-N 2.89Å; K148-K153 PolarHBondContact O-N 3.5Å; K148-M472 HydrophobicContact CB-CG 3.75Å; K148-M472 HydrophobicContact CB-SD 4.34Å
149	D	97.3	Very high	95.8	Very high	15 Å²	15	32.3 Å²	32.3	8%	0.08	16%	0.164	C	C	.	.	I	π-helix	trans	-63.8	-38.9	177.8	-69.6	-23.6	0	0	0	111.8	D145 L146 K153 K154 I410 R411	D145-D149 PolarHBondContact O-N 3.2Å; L146-D149 PolarHBondContact O-N 2.59Å; D149-K153 PolarHBondContact O-N 2.7Å; D149-K153 WeakPolarHBondContact OD1-CD 3.21Å; D149-K153 WeakPolarHBondContact OD1-CE 3.22Å; D149-K153 IonicContact OD1-NZ 3.22Å; D149-K153 PolarHBondContact OD1-NZ 3.01Å; D149-K154 WeakPolarHBondContact O-CB 3.34Å; D149-K154 PolarHBondContact O-N 3.42Å; D149-I410 HydrophobicContact CB-CG2 3.66Å; D149-R411 IonicContact OD2-CZ 3.17Å; D149-R411 IonicContact OD2-NE 3.09Å; D149-R411 PolarHBondContact OD2-NE 3.46Å; D149-R411 IonicContact OD2-NH2 3.43Å; D149-R411 PolarHBondContact OD2-NH2 3.34Å
150	I	97.3	Very high	95.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-75.7	-51	179.4	-68.2	170	0	0	0	112.1	V141 L146 A147 K148 F158 I410 F415 V421 F423	V141-I150 HydrophobicContact CG2-CD1 4.39Å; L146-I150 HydrophobicContact CD1-CD1 3.88Å; L146-I150 HydrophobicContact CD1-CG1 4.18Å; L146-I150 HydrophobicContact CG-CD1 3.85Å; L146-I150 WeakPolarHBondContact O-CG1 3.29Å; L146-I150 PolarHBondContact O-N 3.26Å; A147-I150 PolarHBondContact O-N 2.98Å; K148-I150 VanDerWaalsContact C-N 3.34Å; K148-I150 PolarHBondContact O-N 3.12Å; I150-F158 HydrophobicContact CB-CD2 4.42Å; I150-F158 HydrophobicContact CB-CE2 4.44Å; I150-F158 HydrophobicContact CG1-CE2 4.11Å; I150-F158 HydrophobicContact CG1-CZ 4.2Å; I150-F158 HydrophobicContact CG2-CB 4.22Å; I150-F158 HydrophobicContact CG2-CD1 3.96Å; I150-F158 HydrophobicContact CG2-CD2 3.78Å; I150-F158 HydrophobicContact CG2-CE1 4.23Å; I150-F158 HydrophobicContact CG2-CE2 4.09Å; I150-F158 HydrophobicContact CG2-CG 3.72Å; I150-F158 HydrophobicContact CG2-CZ 4.3Å; I150-I410 HydrophobicContact CG1-CD1 3.8Å; I150-F415 HydrophobicContact CD1-CE1 3.99Å; I150-F415 HydrophobicContact CD1-CE2 4.26Å; I150-F415 HydrophobicContact CD1-CZ 3.57Å; I150-F415 HydrophobicContact CG1-CZ 4.46Å; I150-V421 HydrophobicContact CD1-CG1 3.92Å; I150-F423 HydrophobicContact CB-CZ 4.03Å; I150-F423 HydrophobicContact CD1-CZ 4.29Å; I150-F423 HydrophobicContact CG2-CE2 4.29Å; I150-F423 HydrophobicContact CG2-CZ 3.69Å
151	L	95.8	Very high	95.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.175	C	C	.	.	I	π-helix	trans	-76	-28.2	-171.8	-67.5	173.5	0	0	0	112.9	A147 V400 R402 F423 M472 A479 G480	A147-L151 VanDerWaalsContact O-CB 3.29Å; A147-L151 WeakPolarHBondContact O-CB 3.3Å; A147-L151 WeakPolarHBondContact O-CG 3.33Å; A147-L151 PolarHBondContact O-N 2.59Å; L151-V400 HydrophobicContact CD1-CG1 4.42Å; L151-V400 HydrophobicContact CD2-CG1 4.44Å; L151-R402 HydrophobicContact CD2-CG 3.8Å; L151-F423 HydrophobicContact CD1-CD1 4.34Å; L151-F423 HydrophobicContact CD1-CD2 4.22Å; L151-F423 HydrophobicContact CD1-CE1 4.3Å; L151-F423 HydrophobicContact CD1-CE2 4.17Å; L151-F423 HydrophobicContact CD1-CG 4.29Å; L151-F423 HydrophobicContact CD1-CZ 4.19Å; L151-F423 HydrophobicContact CD2-CD2 4.05Å; L151-F423 HydrophobicContact CD2-CE2 3.55Å; L151-F423 HydrophobicContact CD2-CZ 4.03Å; L151-F423 HydrophobicContact CG-CD2 4.39Å; L151-F423 HydrophobicContact CG-CE1 4.35Å; L151-F423 HydrophobicContact CG-CE2 3.86Å; L151-F423 HydrophobicContact CG-CZ 3.83Å; L151-M472 HydrophobicContact CB-SD 4.42Å; L151-M472 HydrophobicContact CD1-SD 3.92Å; L151-A479 HydrophobicContact CB-CB 4.31Å; L151-A479 HydrophobicContact CD1-CB 4.12Å; L151-G480 WeakPolarHBondContact O-CA 3.4Å
152	I	95.3	Very high	94.7	Very high	77 Å²	77	36.2 Å²	36.2	40%	0.395	18%	0.183	S	C	.	.	I	π-helix	trans	-117.4	-65.3	-174.5	-56.1	178.5	0	0	0	111.2	K148 M472	K148-I152 HydrophobicContact CG-CD1 4.49Å; K148-I152 WeakPolarHBondContact O-CB 3.38Å; K148-I152 PolarHBondContact O-N 2.89Å; I152-M472 HydrophobicContact CD1-CE 3.85Å
153	K	96.2	Very high	93.8	Very high	132 Å²	132	40.3 Å²	40.3	57%	0.574	20%	0.201	S	C	*	.	I	π-helix	trans	-69.2	-44.9	-166.3	-58.2	-167.9	-164.1	149.8	0	113.6	K148 D149	K148-K153 PolarHBondContact O-N 3.5Å; D149-K153 PolarHBondContact O-N 2.7Å; D149-K153 WeakPolarHBondContact OD1-CD 3.21Å; D149-K153 WeakPolarHBondContact OD1-CE 3.22Å; D149-K153 IonicContact OD1-NZ 3.22Å; D149-K153 PolarHBondContact OD1-NZ 3.01Å
154	K	95.7	Very high	92.8	Very high	74 Å²	74	39.6 Å²	39.6	32%	0.322	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	30.1	179.2	-60.4	-152.9	-171.1	178.7	0	112.3	D149 S156 H157 F158 T409 I410	D149-K154 WeakPolarHBondContact O-CB 3.34Å; D149-K154 PolarHBondContact O-N 3.42Å; K154-S156 PolarHBondContact O-N 3.05Å; K154-H157 WeakPolarHBondContact O-CB 3.3Å; K154-H157 PolarHBondContact O-N 3.28Å; K154-F158 WeakPolarHBondContact O-CD2 3.27Å; K154-T409 PolarHBondContact NZ-O 2.93Å; K154-I410 HydrophobicContact CB-CD1 4.19Å; K154-I410 HydrophobicContact CD-CD1 3.74Å; K154-I410 HydrophobicContact CD-CG1 3.8Å; K154-I410 HydrophobicContact CG-CD1 4.21Å
155	F	94.3	Very high	91.4	Very high	30 Å²	30	39.1 Å²	39.1	13%	0.132	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-50.8	-33.8	-179.3	173.3	-102.4	0	0	0	113.5	H157 F158 T159 W184 P481 R482	F155-H157 PolarHBondContact O-N 3.37Å; F155-H157 VanDerWaalsContact O-N 3.12Å; F155-F158 CarbonylContact O-C 3.49Å; F155-F158 VanDerWaalsContact O-C 3.25Å; F155-F158 PolarHBondContact O-N 3.35Å; F155-T159 HydrophobicContact CD1-CG2 4.48Å; F155-T159 HydrophobicContact CE1-CG2 4.07Å; F155-T159 HydrophobicContact CZ-CG2 4.28Å; F155-T159 WeakPolarHBondContact O-CG2 3.39Å; F155-T159 PolarHBondContact O-N 3.4Å; F155-W184 HydrophobicContact CE1-CH2 4.15Å; F155-W184 AromaticContact CE1-CZ3 3.94Å; F155-W184 HydrophobicContact CE1-CZ3 3.94Å; F155-W184 AromaticContact CZ-CH2 3.6Å; F155-W184 HydrophobicContact CZ-CH2 3.6Å; F155-W184 AromaticContact CZ-CZ3 3.61Å; F155-W184 HydrophobicContact CZ-CZ3 3.61Å; F155-P481 HydrophobicContact CB-CG 4.41Å; F155-P481 HydrophobicContact CD1-CB 4Å; F155-P481 HydrophobicContact CD1-CG 3.65Å; F155-P481 HydrophobicContact CD2-CB 4.34Å; F155-P481 HydrophobicContact CD2-CG 4.13Å; F155-P481 HydrophobicContact CE1-CB 3.72Å; F155-P481 HydrophobicContact CE1-CG 3.93Å; F155-P481 HydrophobicContact CE2-CB 4.1Å; F155-P481 HydrophobicContact CE2-CG 4.39Å; F155-P481 HydrophobicContact CG-CB 4.31Å; F155-P481 HydrophobicContact CG-CG 3.77Å; F155-P481 HydrophobicContact CZ-CB 3.78Å; F155-P481 HydrophobicContact CZ-CG 4.3Å; F155-R482 HydrophobicContact CE2-CB 4.07Å; F155-R482 HydrophobicContact CE2-CG 3.61Å; F155-R482 HydrophobicContact CZ-CG 3.83Å
156	S	95.2	Very high	89.9	Confident	83 Å²	83	36.7 Å²	36.7	58%	0.58	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-59.9	-19.9	176.7	55.3	0	0	0	0	114.6	K154	K154-S156 PolarHBondContact O-N 3.05Å
157	H	96.6	Very high	88.7	Confident	32 Å²	32	37.6 Å²	37.6	15%	0.148	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-91.5	-8.8	173.9	-72.3	-115.7	0	0	0	113.2	K154 F155 C404 V405 K406 C408	K154-H157 WeakPolarHBondContact O-CB 3.3Å; K154-H157 PolarHBondContact O-N 3.28Å; F155-H157 PolarHBondContact O-N 3.37Å; F155-H157 VanDerWaalsContact O-N 3.12Å; H157-C404 CarbonylContact O-C 3.35Å; H157-C404 WeakPolarHBondContact O-CA 3.25Å; H157-V405 WeakPolarHBondContact O-CG2 3.29Å; H157-V405 PolarHBondContact O-N 2.96Å; H157-K406 PolarHBondContact ND1-O 3.5Å; H157-C408 WeakPolarHBondContact ND1-CB 3.14Å
158	F	96.3	Very high	87.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-138.4	41.3	-170.3	-62.1	-81.2	0	0	0	111.1	I150 K154 F155 D160 R402 T403 C404 I410 F415 V421	I150-F158 HydrophobicContact CB-CD2 4.42Å; I150-F158 HydrophobicContact CB-CE2 4.44Å; I150-F158 HydrophobicContact CG1-CE2 4.11Å; I150-F158 HydrophobicContact CG1-CZ 4.2Å; I150-F158 HydrophobicContact CG2-CB 4.22Å; I150-F158 HydrophobicContact CG2-CD1 3.96Å; I150-F158 HydrophobicContact CG2-CD2 3.78Å; I150-F158 HydrophobicContact CG2-CE1 4.23Å; I150-F158 HydrophobicContact CG2-CE2 4.09Å; I150-F158 HydrophobicContact CG2-CG 3.72Å; I150-F158 HydrophobicContact CG2-CZ 4.3Å; K154-F158 WeakPolarHBondContact O-CD2 3.27Å; F155-F158 CarbonylContact O-C 3.49Å; F155-F158 VanDerWaalsContact O-C 3.25Å; F155-F158 PolarHBondContact O-N 3.35Å; F158-D160 VanDerWaalsContact C-N 3.31Å; F158-D160 PolarHBondContact O-N 3.31Å; F158-R402 HydrophobicContact CB-CB 3.92Å; F158-R402 HydrophobicContact CB-CG 4.34Å; F158-R402 HydrophobicContact CD1-CB 4.4Å; F158-R402 WeakPolarHBondContact O-CD 3.31Å; F158-T403 WeakPolarHBondContact CA-O 3.18Å; F158-C404 HydrophobicContact CD1-CB 3.99Å; F158-C404 HydrophobicContact CE1-CB 3.69Å; F158-I410 HydrophobicContact CE2-CD1 3.76Å; F158-I410 HydrophobicContact CZ-CD1 4.19Å; F158-F415 HydrophobicContact CE1-CB 4.25Å; F158-F415 AromaticContact CE1-CD1 3.91Å; F158-F415 HydrophobicContact CE1-CD1 3.91Å; F158-F415 HydrophobicContact CE1-CE1 4.49Å; F158-F415 HydrophobicContact CE1-CG 4.05Å; F158-F415 HydrophobicContact CZ-CB 4.01Å; F158-F415 AromaticContact CZ-CD1 3.98Å; F158-F415 HydrophobicContact CZ-CD1 3.98Å; F158-F415 HydrophobicContact CZ-CD2 4.01Å; F158-F415 HydrophobicContact CZ-CE1 4.49Å; F158-F415 AromaticContact CZ-CG 3.72Å; F158-F415 HydrophobicContact CZ-CG 3.72Å; F158-V421 HydrophobicContact CD1-CG2 4.14Å; F158-V421 HydrophobicContact CE1-CG2 3.76Å
159	T	93.2	Very high	86.7	Confident	20 Å²	20	43 Å²	43	12%	0.123	22%	0.219	C	C	.	.			trans	-70.9	-26.8	-171.2	55.1	0	0	0	0	113.6	F155 R482	F155-T159 HydrophobicContact CD1-CG2 4.48Å; F155-T159 HydrophobicContact CE1-CG2 4.07Å; F155-T159 HydrophobicContact CZ-CG2 4.28Å; F155-T159 WeakPolarHBondContact O-CG2 3.39Å; F155-T159 PolarHBondContact O-N 3.4Å; T159-R482 PolarHBondContact O-NE 2.87Å; T159-R482 PolarHBondContact O-NH2 2.98Å; T159-R482 VanDerWaalsContact O-NH2 3.08Å
160	D	93.5	Very high	85.8	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.048	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-100.3	154.2	-167.5	-64.4	-6.9	0	0	0	111.3	F158 K180 Q181 R402 T403 V405 R482	F158-D160 VanDerWaalsContact C-N 3.31Å; F158-D160 PolarHBondContact O-N 3.31Å; D160-K180 HydrophobicContact CB-CG 4.39Å; D160-Q181 PolarHBondContact OD1-N 3.04Å; D160-R402 CarbonylContact O-C 3.51Å; D160-R402 VanDerWaalsContact O-CA 3.29Å; D160-R402 WeakPolarHBondContact O-CA 3.4Å; D160-T403 PolarHBondContact O-N 3.42Å; D160-V405 HydrophobicContact CB-CG1 4.18Å; D160-V405 WeakPolarHBondContact OD2-CG1 3.17Å; D160-R482 IonicContact OD1-NH2 3.77Å
161	R	90.5	Very high	84.9	Confident	50 Å²	50	49 Å²	49	19%	0.189	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-90.5	172.8	169	-69.6	-175.9	177.3	-177.8	-0.7	110	T403 R482	R161-T403 PolarHBondContact O-OG1 3.35Å; R161-R482 PolarHBondContact NH2-O 3.46Å
162	S	82.5	Confident	84.2	Confident	23 Å²	23	49.2 Å²	49.2	16%	0.161	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59.3	144.5	165.5	-58.1	0	0	0	0	110.2	I164 V401 Q420	S162-I164 PolarHBondContact O-N 3.01Å; S162-V401 WeakPolarHBondContact OG-CB 3.45Å; S162-V401 WeakPolarHBondContact OG-CG1 3.24Å; S162-Q420 PolarHBondContact OG-NE2 3.32Å; S162-Q420 PolarHBondContact OG-OE1 3.45Å
163	H	75.3	Confident	83.7	Confident	90 Å²	90	46.8 Å²	46.8	42%	0.417	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-66.8	121.2	172.3	-173.7	-119.9	0	0	0	109.9	E168	H163-E168 WeakPolarHBondContact CE1-CG 3.18Å; H163-E168 IonicContact CE1-OE1 2.79Å; H163-E168 PolarHBondContact CE1-OE1 2.92Å; H163-E168 IonicContact ND1-OE1 2.7Å; H163-E168 PolarHBondContact ND1-OE1 3.44Å
164	I	73.3	Confident	83.2	Confident	35 Å²	35	42 Å²	42	18%	0.179	22%	0.217	C	C	.	.			trans	-94.7	101.8	179.3	-57.2	173.9	0	0	0	107	S162 I166 L167 F177	S162-I164 PolarHBondContact O-N 3.01Å; I164-I166 HydrophobicContact CG2-CB 4.4Å; I164-I166 PolarHBondContact O-N 3.29Å; I164-L167 HydrophobicContact CB-CB 4.43Å; I164-L167 HydrophobicContact CB-CD1 4.18Å; I164-L167 HydrophobicContact CB-CG 4.29Å; I164-L167 HydrophobicContact CD1-CD1 4.08Å; I164-L167 HydrophobicContact CG2-CB 4.44Å; I164-L167 HydrophobicContact CG2-CD1 4Å; I164-L167 HydrophobicContact CG2-CG 3.89Å; I164-L167 PolarHBondContact O-N 3.28Å; I164-F177 HydrophobicContact CD1-CB 4.49Å
165	A	66.3	Low	82.8	Confident	17 Å²	17	38.4 Å²	38.4	14%	0.14	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-59.4	-22.4	-171	0	0	0	0	0	114.8	L167 E168 N277	A165-L167 VanDerWaalsContact C-N 3.3Å; A165-E168 VanDerWaalsContact CA-CD 3.47Å; A165-E168 WeakPolarHBondContact CA-OE1 3.49Å; A165-E168 VanDerWaalsContact CB-OE1 3.27Å; A165-E168 WeakPolarHBondContact CB-OE1 3.4Å; A165-E168 WeakPolarHBondContact O-CB 3.22Å; A165-E168 WeakPolarHBondContact O-CG 3.39Å; A165-N277 WeakPolarHBondContact CB-ND2 3.29Å
166	I	64	Low	82.5	Confident	9 Å²	9	37.2 Å²	37.2	5%	0.046	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-75.4	-22.7	178.4	-62.3	171.1	0	0	0	111.5	I164 L272 F286 F289	I164-I166 HydrophobicContact CG2-CB 4.4Å; I164-I166 PolarHBondContact O-N 3.29Å; I166-L272 HydrophobicContact CD1-CD2 4.23Å; I166-F286 HydrophobicContact CG1-CZ 4.29Å; I166-F289 HydrophobicContact CB-CZ 4.46Å; I166-F289 HydrophobicContact CG2-CD1 3.86Å; I166-F289 HydrophobicContact CG2-CD2 4.21Å; I166-F289 HydrophobicContact CG2-CE1 3.13Å; I166-F289 HydrophobicContact CG2-CE2 3.52Å; I166-F289 HydrophobicContact CG2-CG 4.37Å; I166-F289 HydrophobicContact CG2-CZ 2.95Å
167	L	72	Confident	82	Confident	23 Å²	23	36 Å²	36	12%	0.12	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-105	23	-179.3	-53.6	178.7	0	0	0	111.8	I164 A165 M172 S173 F177 N178	I164-L167 HydrophobicContact CB-CB 4.43Å; I164-L167 HydrophobicContact CB-CD1 4.18Å; I164-L167 HydrophobicContact CB-CG 4.29Å; I164-L167 HydrophobicContact CD1-CD1 4.08Å; I164-L167 HydrophobicContact CG2-CB 4.44Å; I164-L167 HydrophobicContact CG2-CD1 4Å; I164-L167 HydrophobicContact CG2-CG 3.89Å; I164-L167 PolarHBondContact O-N 3.28Å; A165-L167 VanDerWaalsContact C-N 3.3Å; L167-M172 HydrophobicContact CB-CB 4.02Å; L167-M172 HydrophobicContact CD2-CB 3.9Å; L167-M172 HydrophobicContact CD2-CG 3.96Å; L167-M172 HydrophobicContact CD2-SD 4.22Å; L167-M172 CarbonylContact O-C 3.53Å; L167-S173 VanDerWaalsContact O-CA 3.23Å; L167-S173 WeakPolarHBondContact O-CA 3.43Å; L167-S173 PolarHBondContact O-N 2.93Å; L167-S173 VanDerWaalsContact O-N 3.16Å; L167-F177 HydrophobicContact CD1-CB 4.47Å; L167-N178 HydrophobicContact CB-CB 4.46Å; L167-N178 PolarHBondContact O-ND2 3.29Å
168	E	73.1	Confident	81.5	Confident	69 Å²	69	35.3 Å²	35.3	32%	0.322	18%	0.178	S	C	.	.			trans	-71.1	-32.2	-177.2	-87.2	168.7	-173	0	0	113.3	H163 A165 K281	H163-E168 WeakPolarHBondContact CE1-CG 3.18Å; H163-E168 IonicContact CE1-OE1 2.79Å; H163-E168 PolarHBondContact CE1-OE1 2.92Å; H163-E168 IonicContact ND1-OE1 2.7Å; H163-E168 PolarHBondContact ND1-OE1 3.44Å; A165-E168 VanDerWaalsContact CA-CD 3.47Å; A165-E168 WeakPolarHBondContact CA-OE1 3.49Å; A165-E168 VanDerWaalsContact CB-OE1 3.27Å; A165-E168 WeakPolarHBondContact CB-OE1 3.4Å; A165-E168 WeakPolarHBondContact O-CB 3.22Å; A165-E168 WeakPolarHBondContact O-CG 3.39Å; E168-K281 IonicContact OE2-NZ 3.82Å; E168-K281 PolarHBondContact OE2-NZ 3.42Å; E168-K281 VanDerWaalsContact OE2-NZ 3.15Å
169	N	76.4	Confident	81.3	Confident	114 Å²	114	36 Å²	36	61%	0.61	18%	0.182	S	C	*	.	S	Bend	trans	-94.2	153.5	-172.1	-64.2	-38.5	0	0	0	111.4	M172 S173	N169-M172 CarbonylContact O-C 3.25Å; N169-M172 WeakPolarHBondContact O-CA 3.43Å; N169-M172 WeakPolarHBondContact O-CB 3.24Å; N169-M172 PolarHBondContact O-N 2.71Å; N169-S173 PolarHBondContact O-N 2.71Å
170	K	78.6	Confident	81.2	Confident	127 Å²	127	39.6 Å²	39.6	55%	0.552	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	143.8	170.6	-80.2	-170	159.7	-132.1	0	111.3	S173 D174 D318	K170-S173 VanDerWaalsContact CG-OG 3.29Å; K170-S173 WeakPolarHBondContact CG-OG 3.33Å; K170-D174 WeakPolarHBondContact CE-OD2 3.49Å; K170-D174 IonicContact NZ-OD2 2.6Å; K170-D174 PolarHBondContact NZ-OD2 3.48Å; K170-D174 VanDerWaalsContact NZ-OD2 3.14Å; K170-D318 WeakPolarHBondContact CD-OD2 3.39Å; K170-D318 IonicContact NZ-OD2 3.14Å; K170-D318 PolarHBondContact NZ-OD2 3.03Å
171	P	79.3	Confident	81	Confident	15 Å²	15	44.2 Å²	44.2	10%	0.097	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.1	-12.1	1.5	30.7	-32.1	0	0	0	114.1	S173 D174 V297 D318 I321 A322 M325	P171-S173 VanDerWaalsContact C-N 3.25Å; P171-S173 PolarHBondContact O-N 3.19Å; P171-S173 VanDerWaalsContact O-N 3.13Å; P171-D174 PolarHBondContact O-N 3.14Å; P171-V297 HydrophobicContact CG-CG1 3.91Å; P171-V297 HydrophobicContact CG-CG2 4.24Å; P171-D318 HydrophobicContact CB-CB 4.1Å; P171-I321 HydrophobicContact CB-CG2 4.46Å; P171-I321 HydrophobicContact CG-CG2 4Å; P171-A322 HydrophobicContact CB-CB 4.32Å; P171-A322 WeakPolarHBondContact O-CB 3.37Å; P171-M325 HydrophobicContact CG-CE 4.1Å
172	M	81.5	Confident	81	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.025	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-60.1	-26	-172.8	-69.3	-57	97.9	0	0	115.6	L167 N169 D174 C175 E293 A322 M325	L167-M172 HydrophobicContact CB-CB 4.02Å; L167-M172 HydrophobicContact CD2-CB 3.9Å; L167-M172 HydrophobicContact CD2-CG 3.96Å; L167-M172 HydrophobicContact CD2-SD 4.22Å; L167-M172 CarbonylContact O-C 3.53Å; N169-M172 CarbonylContact O-C 3.25Å; N169-M172 WeakPolarHBondContact O-CA 3.43Å; N169-M172 WeakPolarHBondContact O-CB 3.24Å; N169-M172 PolarHBondContact O-N 2.71Å; M172-D174 PolarHBondContact O-N 2.93Å; M172-D174 VanDerWaalsContact O-N 3.16Å; M172-C175 WeakPolarHBondContact O-CB 3.4Å; M172-C175 PolarHBondContact O-N 3.29Å; M172-C175 VanDerWaalsContact O-N 3.13Å; M172-C175 PolarHBondContact O-SG 2.74Å; M172-E293 HydrophobicContact CG-CG 4.37Å; M172-E293 WeakPolarHBondContact CG-OE1 3.32Å; M172-A322 HydrophobicContact CE-CB 4.05Å; M172-M325 HydrophobicContact CE-CB 3.93Å; M172-M325 HydrophobicContact CE-CE 3.21Å; M172-M325 HydrophobicContact CE-CG 4.24Å; M172-M325 HydrophobicContact CE-SD 3.42Å; M172-M325 WeakPolarHBondContact CE-SD 3.36Å; M172-M325 HydrophobicContact SD-CB 4.22Å; M172-M325 HydrophobicContact SD-SD 4.18Å
173	S	83.5	Confident	81.3	Confident	25 Å²	25	51.8 Å²	51.8	18%	0.175	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-54.2	-31.9	172.2	59.1	0	0	0	0	113	L167 N169 K170 P171 C175	L167-S173 VanDerWaalsContact O-CA 3.23Å; L167-S173 WeakPolarHBondContact O-CA 3.43Å; L167-S173 PolarHBondContact O-N 2.93Å; L167-S173 VanDerWaalsContact O-N 3.16Å; N169-S173 PolarHBondContact O-N 2.71Å; K170-S173 VanDerWaalsContact CG-OG 3.29Å; K170-S173 WeakPolarHBondContact CG-OG 3.33Å; P171-S173 VanDerWaalsContact C-N 3.25Å; P171-S173 PolarHBondContact O-N 3.19Å; P171-S173 VanDerWaalsContact O-N 3.13Å; S173-C175 VanDerWaalsContact C-N 3.29Å; S173-C175 PolarHBondContact O-N 3.44Å
174	D	85.5	Confident	82.2	Confident	31 Å²	31	48.2 Å²	48.2	17%	0.166	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-92.4	8.7	-173.2	-59.8	7.9	0	0	0	111.6	K170 P171 M172 S319 A322 N323	K170-D174 WeakPolarHBondContact CE-OD2 3.49Å; K170-D174 IonicContact NZ-OD2 2.6Å; K170-D174 PolarHBondContact NZ-OD2 3.48Å; K170-D174 VanDerWaalsContact NZ-OD2 3.14Å; P171-D174 PolarHBondContact O-N 3.14Å; M172-D174 PolarHBondContact O-N 2.93Å; M172-D174 VanDerWaalsContact O-N 3.16Å; D174-S319 PolarHBondContact O-OG 3Å; D174-A322 HydrophobicContact CB-CB 4.43Å; D174-N323 PolarHBondContact O-ND2 2.93Å
175	C	87.2	Confident	83.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-79	149	176.8	81.5	0	0	0	0	112.2	M172 S173 F177 N178 L179 A322 V326	M172-C175 WeakPolarHBondContact O-CB 3.4Å; M172-C175 PolarHBondContact O-N 3.29Å; M172-C175 VanDerWaalsContact O-N 3.13Å; M172-C175 PolarHBondContact O-SG 2.74Å; S173-C175 VanDerWaalsContact C-N 3.29Å; S173-C175 PolarHBondContact O-N 3.44Å; C175-F177 PolarHBondContact O-N 2.98Å; C175-N178 PolarHBondContact O-N 3.02Å; C175-L179 WeakPolarHBondContact O-CG 3.38Å; C175-L179 PolarHBondContact O-N 3.09Å; C175-L179 VanDerWaalsContact O-N 3.1Å; C175-A322 HydrophobicContact CB-CB 3.88Å; C175-V326 HydrophobicContact CB-CB 4.39Å; C175-V326 HydrophobicContact CB-CG2 3.59Å
176	L	88.5	Confident	84.1	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-22.8	-178.9	-170.6	67.4	0	0	0	114.7	V187 R188 N323 R482 I485	L176-V187 HydrophobicContact CD1-CB 4.39Å; L176-V187 HydrophobicContact CD1-CG1 4.11Å; L176-R188 HydrophobicContact CD1-CB 3.75Å; L176-R188 HydrophobicContact CD1-CG 4.35Å; L176-N323 VanDerWaalsContact CB-OD1 3.24Å; L176-N323 WeakPolarHBondContact CB-OD1 3.47Å; L176-N323 PolarHBondContact N-OD1 3.25Å; L176-R482 PolarHBondContact O-NH1 2.86Å; L176-I485 HydrophobicContact CD2-CD1 4.11Å; L176-I485 HydrophobicContact CD2-CG2 4.2Å
177	F	85.8	Confident	85.3	Confident	58 Å²	58	57.9 Å²	57.9	25%	0.254	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-34.7	179	-64.8	-12.1	0	0	0	113.6	I164 L167 C175 V326 A330	I164-F177 HydrophobicContact CD1-CB 4.49Å; L167-F177 HydrophobicContact CD1-CB 4.47Å; C175-F177 PolarHBondContact O-N 2.98Å; F177-V326 HydrophobicContact CD1-CG1 3.99Å; F177-V326 HydrophobicContact CD2-CB 4.43Å; F177-V326 HydrophobicContact CD2-CG1 3.53Å; F177-V326 HydrophobicContact CD2-CG2 4.02Å; F177-V326 HydrophobicContact CE1-CG1 3.68Å; F177-V326 HydrophobicContact CE2-CB 4.32Å; F177-V326 HydrophobicContact CE2-CG1 3.2Å; F177-V326 HydrophobicContact CE2-CG2 4.32Å; F177-V326 HydrophobicContact CG-CG1 3.92Å; F177-V326 HydrophobicContact CZ-CG1 3.28Å; F177-A330 HydrophobicContact CZ-CB 4.35Å
178	N	86	Confident	86.2	Confident	18 Å²	18	58.5 Å²	58.5	10%	0.096	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-21.5	-176.4	-153.1	30.1	0	0	0	113.2	L167 C175	L167-N178 HydrophobicContact CB-CB 4.46Å; L167-N178 PolarHBondContact O-ND2 3.29Å; C175-N178 PolarHBondContact O-N 3.02Å
179	L	90.5	Very high	86.9	Confident	14 Å²	14	59.2 Å²	59.2	7%	0.073	29%	0.291	C	S	.	.			trans	-57	146.2	175.7	-69.5	175.7	0	0	0	112.7	C175 E183 W184 V187 R482	C175-L179 WeakPolarHBondContact O-CG 3.38Å; C175-L179 PolarHBondContact O-N 3.09Å; C175-L179 VanDerWaalsContact O-N 3.1Å; L179-E183 HydrophobicContact CD2-CB 4.08Å; L179-W184 HydrophobicContact CB-CB 3.84Å; L179-V187 HydrophobicContact CD1-CB 3.64Å; L179-V187 HydrophobicContact CD1-CG1 3.93Å; L179-V187 HydrophobicContact CD1-CG2 3.46Å; L179-V187 VanDerWaalsContact CD1-CG2 3.46Å; L179-R482 PolarHBondContact O-NH1 2.78Å; L179-R482 VanDerWaalsContact O-NH1 3.13Å; L179-R482 PolarHBondContact O-NH2 3.48Å
180	K	91.5	Very high	87.2	Confident	95 Å²	95	57 Å²	57	41%	0.413	28%	0.282	S	S	.	.			trans	-117.8	155.1	-175.8	-65	178.8	-174.8	168.5	0	111.5	D160 N182 E183 W184	D160-K180 HydrophobicContact CB-CG 4.39Å; K180-N182 PolarHBondContact O-N 3.35Å; K180-E183 PolarHBondContact O-N 3.25Å; K180-W184 PolarHBondContact O-N 2.66Å; K180-W184 VanDerWaalsContact O-N 3.09Å
181	Q	89.1	Confident	87.5	Confident	106 Å²	106	51.7 Å²	51.7	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	41.6	-118.8	169.9	-57.4	179.9	35	0	0	114.8	D160 W184 K185	D160-Q181 PolarHBondContact OD1-N 3.04Å; Q181-W184 PolarHBondContact O-N 2.86Å; Q181-K185 PolarHBondContact O-N 3.43Å; Q181-K185 VanDerWaalsContact O-N 3.11Å
182	N	90.5	Very high	87.8	Confident	112 Å²	112	53.1 Å²	53.1	60%	0.599	27%	0.273	S	S	*	.	H	α-helix	trans	-68.6	-40.3	-174.8	-72.5	-17.4	0	0	0	112.7	K180 W184 K185 E186	K180-N182 PolarHBondContact O-N 3.35Å; N182-W184 VanDerWaalsContact C-N 3.28Å; N182-W184 PolarHBondContact O-N 3Å; N182-K185 WeakPolarHBondContact O-CA 3.42Å; N182-K185 WeakPolarHBondContact O-CB 3.27Å; N182-K185 PolarHBondContact O-N 3.29Å; N182-E186 WeakPolarHBondContact O-CG 3.48Å; N182-E186 PolarHBondContact O-N 3.31Å
183	E	90.2	Very high	87.9	Confident	121 Å²	121	59.6 Å²	59.6	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-59	-44.3	177.7	-58.2	173.5	111.9	0	0	110.5	L179 K180 K185 E186 V187	L179-E183 HydrophobicContact CD2-CB 4.08Å; K180-E183 PolarHBondContact O-N 3.25Å; E183-K185 VanDerWaalsContact C-N 3.35Å; E183-K185 PolarHBondContact O-N 3.02Å; E183-E186 PolarHBondContact O-N 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.48Å; E183-V187 PolarHBondContact O-N 3.13Å
184	W	93.3	Very high	87.8	Confident	14 Å²	14	60.3 Å²	60.3	5%	0.053	31%	0.311	C	S	.	.	H	α-helix	trans	-61.1	-43.9	173.7	165.2	74.6	0	0	0	112.1	F155 L179 K180 Q181 N182 R188 P481 R482	F155-W184 HydrophobicContact CE1-CH2 4.15Å; F155-W184 AromaticContact CE1-CZ3 3.94Å; F155-W184 HydrophobicContact CE1-CZ3 3.94Å; F155-W184 AromaticContact CZ-CH2 3.6Å; F155-W184 HydrophobicContact CZ-CH2 3.6Å; F155-W184 AromaticContact CZ-CZ3 3.61Å; F155-W184 HydrophobicContact CZ-CZ3 3.61Å; L179-W184 HydrophobicContact CB-CB 3.84Å; K180-W184 PolarHBondContact O-N 2.66Å; K180-W184 VanDerWaalsContact O-N 3.09Å; Q181-W184 PolarHBondContact O-N 2.86Å; N182-W184 VanDerWaalsContact C-N 3.28Å; N182-W184 PolarHBondContact O-N 3Å; W184-R188 HydrophobicContact CZ2-CG 4.39Å; W184-R188 WeakPolarHBondContact O-CB 3.29Å; W184-R188 PolarHBondContact O-N 3.49Å; W184-P481 HydrophobicContact CH2-CB 3.95Å; W184-P481 WeakPolarHBondContact CH2-O 3.13Å; W184-P481 VanDerWaalsContact CZ2-O 3.28Å; W184-P481 WeakPolarHBondContact CZ2-O 3.26Å; W184-R482 VanDerWaalsContact CD2-CZ 3.42Å; W184-R482 VanDerWaalsContact CD2-NE 3.29Å; W184-R482 VanDerWaalsContact CG-NH2 3.27Å; W184-R482 HydrophobicContact CH2-CG 3.82Å; W184-R482 HydrophobicContact CZ2-CB 4.24Å; W184-R482 HydrophobicContact CZ2-CG 3.46Å; W184-R482 VanDerWaalsContact CZ2-CG 3.46Å
185	K	91.4	Very high	87.8	Confident	124 Å²	124	60.4 Å²	60.4	54%	0.539	31%	0.309	S	S	.	.	H	α-helix	trans	-62.4	-45.7	-178.1	-174	-176.6	176.9	-172.5	0	110.7	Q181 N182 E183 R188 C189	Q181-K185 PolarHBondContact O-N 3.43Å; Q181-K185 VanDerWaalsContact O-N 3.11Å; N182-K185 WeakPolarHBondContact O-CA 3.42Å; N182-K185 WeakPolarHBondContact O-CB 3.27Å; N182-K185 PolarHBondContact O-N 3.29Å; E183-K185 VanDerWaalsContact C-N 3.35Å; E183-K185 PolarHBondContact O-N 3.02Å; K185-R188 PolarHBondContact O-N 3.39Å; K185-C189 WeakPolarHBondContact O-CB 3.21Å; K185-C189 PolarHBondContact O-N 3.29Å; K185-C189 PolarHBondContact O-SG 3.01Å
186	E	88.7	Confident	87.8	Confident	129 Å²	129	62.1 Å²	62.1	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-62.2	-51.6	178.9	-72.3	172.3	-166.9	0	0	111.7	N182 E183 R188 C189 T190	N182-E186 WeakPolarHBondContact O-CG 3.48Å; N182-E186 PolarHBondContact O-N 3.31Å; E183-E186 PolarHBondContact O-N 3.26Å; E186-R188 VanDerWaalsContact C-N 3.33Å; E186-R188 PolarHBondContact O-N 3.39Å; E186-C189 PolarHBondContact O-N 3.32Å; E186-T190 PolarHBondContact O-N 3.07Å; E186-T190 PolarHBondContact O-OG1 2.79Å; E186-T190 VanDerWaalsContact O-OG1 3.08Å
187	V	88.3	Confident	87.7	Confident	12 Å²	12	66.5 Å²	66.5	7%	0.073	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-40.6	177.9	176.9	0	0	0	0	110.9	L176 L179 E183 C189 T190 V191 L315	L176-V187 HydrophobicContact CD1-CB 4.39Å; L176-V187 HydrophobicContact CD1-CG1 4.11Å; L179-V187 HydrophobicContact CD1-CB 3.64Å; L179-V187 HydrophobicContact CD1-CG1 3.93Å; L179-V187 HydrophobicContact CD1-CG2 3.46Å; L179-V187 VanDerWaalsContact CD1-CG2 3.46Å; E183-V187 WeakPolarHBondContact O-CG2 3.48Å; E183-V187 PolarHBondContact O-N 3.13Å; V187-C189 PolarHBondContact O-N 3.18Å; V187-T190 PolarHBondContact O-N 2.84Å; V187-V191 HydrophobicContact CG1-CG2 4.13Å; V187-V191 WeakPolarHBondContact O-CB 3.26Å; V187-V191 VanDerWaalsContact O-CG2 3.26Å; V187-V191 WeakPolarHBondContact O-CG2 3.33Å; V187-V191 PolarHBondContact O-N 2.86Å; V187-L315 HydrophobicContact CG2-CD2 3.86Å
188	R	91	Very high	87.7	Confident	35 Å²	35	71.1 Å²	71.1	13%	0.132	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-45.5	177	-170.4	167.3	178.2	108.9	-6.6	112.1	L176 W184 K185 E186 T190 V191 A192 P481 N483 I485	L176-R188 HydrophobicContact CD1-CB 3.75Å; L176-R188 HydrophobicContact CD1-CG 4.35Å; W184-R188 HydrophobicContact CZ2-CG 4.39Å; W184-R188 WeakPolarHBondContact O-CB 3.29Å; W184-R188 PolarHBondContact O-N 3.49Å; K185-R188 PolarHBondContact O-N 3.39Å; E186-R188 VanDerWaalsContact C-N 3.33Å; E186-R188 PolarHBondContact O-N 3.39Å; R188-T190 VanDerWaalsContact C-N 3.32Å; R188-V191 PolarHBondContact O-N 3.25Å; R188-A192 VanDerWaalsContact O-CB 3.24Å; R188-A192 WeakPolarHBondContact O-CB 3.28Å; R188-A192 PolarHBondContact O-N 3.43Å; R188-P481 PolarHBondContact NE-O 2.88Å; R188-P481 PolarHBondContact NH2-O 3.33Å; R188-N483 PolarHBondContact NH1-O 3Å; R188-N483 PolarHBondContact NH2-O 3.21Å; R188-N483 PolarHBondContact NH2-OD1 2.87Å; R188-I485 HydrophobicContact CG-CD1 4.17Å
189	C	88.1	Confident	87.8	Confident	84 Å²	84	71.7 Å²	71.7	57%	0.568	37%	0.369	S	S	*	.	H	α-helix	trans	-60.3	-44.5	178.3	-75.7	0	0	0	0	111.1	K185 E186 V187 A192	K185-C189 WeakPolarHBondContact O-CB 3.21Å; K185-C189 PolarHBondContact O-N 3.29Å; K185-C189 PolarHBondContact O-SG 3.01Å; E186-C189 PolarHBondContact O-N 3.32Å; V187-C189 PolarHBondContact O-N 3.18Å; C189-A192 PolarHBondContact O-N 3.33Å
190	T	83.9	Confident	87.7	Confident	69 Å²	69	71 Å²	71	42%	0.423	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-48.7	177.4	-58.3	0	0	0	0	111.7	E186 V187 R188 A192 I313 L315	E186-T190 PolarHBondContact O-N 3.07Å; E186-T190 PolarHBondContact O-OG1 2.79Å; E186-T190 VanDerWaalsContact O-OG1 3.08Å; V187-T190 PolarHBondContact O-N 2.84Å; R188-T190 VanDerWaalsContact C-N 3.32Å; T190-A192 PolarHBondContact O-N 3.48Å; T190-I313 HydrophobicContact CG2-CG2 4.26Å; T190-L315 HydrophobicContact CG2-CD1 3.83Å; T190-L315 HydrophobicContact CG2-CG 4.24Å
191	V	84	Confident	87.6	Confident	14 Å²	14	72.4 Å²	72.4	9%	0.085	37%	0.368	C	S	.	.	H	α-helix	trans	-67.9	-33.2	-179.6	170.5	0	0	0	0	112.3	V187 R188 H193 A194 F195 F327 I485	V187-V191 HydrophobicContact CG1-CG2 4.13Å; V187-V191 WeakPolarHBondContact O-CB 3.26Å; V187-V191 VanDerWaalsContact O-CG2 3.26Å; V187-V191 WeakPolarHBondContact O-CG2 3.33Å; V187-V191 PolarHBondContact O-N 2.86Å; R188-V191 PolarHBondContact O-N 3.25Å; V191-H193 PolarHBondContact O-N 3.42Å; V191-A194 VanDerWaalsContact O-CB 3.28Å; V191-A194 WeakPolarHBondContact O-CB 3.39Å; V191-A194 PolarHBondContact O-N 2.91Å; V191-F195 HydrophobicContact CG1-CD2 4.31Å; V191-F195 HydrophobicContact CG1-CE2 3.94Å; V191-F327 HydrophobicContact CB-CZ 4.24Å; V191-F327 HydrophobicContact CG1-CE1 4.01Å; V191-F327 HydrophobicContact CG1-CE2 3.71Å; V191-F327 HydrophobicContact CG1-CZ 3.18Å; V191-F327 HydrophobicContact CG2-CE2 4.32Å; V191-F327 HydrophobicContact CG2-CZ 4.01Å; V191-I485 HydrophobicContact CB-CD1 4.07Å; V191-I485 HydrophobicContact CG1-CD1 3.54Å
192	A	86.3	Confident	87.5	Confident	46 Å²	46	72.8 Å²	72.8	38%	0.38	37%	0.37	S	S	.	.	H	α-helix	trans	-57.2	-27.2	-176.9	0	0	0	0	0	112.9	R188 C189 T190 A194 F195 I485	R188-A192 VanDerWaalsContact O-CB 3.24Å; R188-A192 WeakPolarHBondContact O-CB 3.28Å; R188-A192 PolarHBondContact O-N 3.43Å; C189-A192 PolarHBondContact O-N 3.33Å; T190-A192 PolarHBondContact O-N 3.48Å; A192-A194 VanDerWaalsContact C-N 3.26Å; A192-A194 PolarHBondContact O-N 3.1Å; A192-F195 PolarHBondContact O-N 2.6Å; A192-I485 HydrophobicContact CB-CD1 4.35Å
193	H	82.7	Confident	87.4	Confident	141 Å²	141	68.6 Å²	68.6	65%	0.653	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-60.2	-35	174.3	-171.4	74.9	0	0	0	113	V191 F195 S196	V191-H193 PolarHBondContact O-N 3.42Å; H193-F195 PolarHBondContact O-N 3Å; H193-F195 VanDerWaalsContact O-N 3.15Å; H193-S196 WeakPolarHBondContact O-CB 3.1Å; H193-S196 PolarHBondContact O-N 3.17Å; H193-S196 VanDerWaalsContact O-N 3.16Å; H193-S196 PolarHBondContact O-OG 3.31Å; H193-S196 VanDerWaalsContact O-OG 3.08Å
194	A	80.8	Confident	87.3	Confident	40 Å²	40	63 Å²	63	33%	0.331	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-66.5	-11.6	175.6	0	0	0	0	0	113.2	V191 A192 V199 M200	V191-A194 VanDerWaalsContact O-CB 3.28Å; V191-A194 WeakPolarHBondContact O-CB 3.39Å; V191-A194 PolarHBondContact O-N 2.91Å; A192-A194 VanDerWaalsContact C-N 3.26Å; A192-A194 PolarHBondContact O-N 3.1Å; A194-V199 WeakPolarHBondContact O-CG1 3.34Å; A194-M200 WeakPolarHBondContact O-CE 3.26Å
195	F	85.7	Confident	87.2	Confident	32 Å²	32	66.9 Å²	66.9	14%	0.14	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-113.5	19.2	176.9	-62.9	-81.6	0	0	0	113.2	V191 A192 H193 M200 I485 F489	V191-F195 HydrophobicContact CG1-CD2 4.31Å; V191-F195 HydrophobicContact CG1-CE2 3.94Å; A192-F195 PolarHBondContact O-N 2.6Å; H193-F195 PolarHBondContact O-N 3Å; H193-F195 VanDerWaalsContact O-N 3.15Å; F195-M200 HydrophobicContact CB-CE 4.37Å; F195-M200 HydrophobicContact CD1-CE 3.78Å; F195-M200 HydrophobicContact CD1-SD 4.08Å; F195-M200 HydrophobicContact CG-CE 4.41Å; F195-I485 HydrophobicContact CD2-CD1 4.21Å; F195-I485 HydrophobicContact CD2-CG1 3.73Å; F195-I485 HydrophobicContact CD2-CG2 4.46Å; F195-I485 HydrophobicContact CE2-CD1 4.44Å; F195-I485 HydrophobicContact CE2-CG1 4.08Å; F195-I485 HydrophobicContact CE2-CG2 3.98Å; F195-I485 HydrophobicContact CG-CG1 4.42Å; F195-I485 HydrophobicContact CZ-CG2 4.4Å; F195-F489 HydrophobicContact CD1-CB 4.2Å; F195-F489 HydrophobicContact CE1-CB 4.03Å
196	S	87.4	Confident	87.1	Confident	37 Å²	37	62.7 Å²	62.7	26%	0.259	34%	0.336	S	S	.	.	S	Bend	trans	-67.4	158.3	175	68.1	0	0	0	0	112.7	H193 K198 V199 M200	H193-S196 WeakPolarHBondContact O-CB 3.1Å; H193-S196 PolarHBondContact O-N 3.17Å; H193-S196 VanDerWaalsContact O-N 3.16Å; H193-S196 PolarHBondContact O-OG 3.31Å; H193-S196 VanDerWaalsContact O-OG 3.08Å; S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.47Å; S196-V199 PolarHBondContact O-N 2.92Å; S196-V199 VanDerWaalsContact O-N 3.1Å; S196-V199 WeakPolarHBondContact OG-CG2 3.35Å; S196-M200 WeakPolarHBondContact O-CG 3.5Å; S196-M200 PolarHBondContact O-N 3.49Å
197	N	86.3	Confident	87.2	Confident	96 Å²	96	56.8 Å²	56.8	51%	0.513	31%	0.308	S	S	.	.	H	α-helix	trans	-48.3	-46.2	178	-81.6	-28.9	0	0	0	113.2	M200 R201 R488	N197-M200 PolarHBondContact O-N 2.86Å; N197-R201 WeakPolarHBondContact O-CG 3.38Å; N197-R201 PolarHBondContact O-N 3.3Å; N197-R201 VanDerWaalsContact O-N 3.14Å; N197-R488 PolarHBondContact OD1-NH1 2.6Å; N197-R488 PolarHBondContact OD1-NH2 2.8Å
198	K	86.9	Confident	87.3	Confident	155 Å²	155	57.8 Å²	57.8	67%	0.674	31%	0.313	S	S	*	.	H	α-helix	trans	-63.4	-45.3	-178.8	-177.1	179.5	177.2	-179.2	0	111.6	S196 R201 Q202	S196-K198 VanDerWaalsContact C-N 3.26Å; S196-K198 PolarHBondContact O-N 3.47Å; K198-R201 PolarHBondContact O-N 2.88Å; K198-Q202 WeakPolarHBondContact O-CG 3.27Å; K198-Q202 PolarHBondContact O-N 3.31Å
199	V	86.8	Confident	87.4	Confident	29 Å²	29	60 Å²	60	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-69.6	-38.9	-180	179.6	0	0	0	0	110.9	A194 S196 R201 Q202 M203	A194-V199 WeakPolarHBondContact O-CG1 3.34Å; S196-V199 PolarHBondContact O-N 2.92Å; S196-V199 VanDerWaalsContact O-N 3.1Å; S196-V199 WeakPolarHBondContact OG-CG2 3.35Å; V199-R201 VanDerWaalsContact C-N 3.32Å; V199-R201 PolarHBondContact O-N 3.4Å; V199-Q202 WeakPolarHBondContact O-CB 3.36Å; V199-Q202 PolarHBondContact O-N 2.87Å; V199-Q202 VanDerWaalsContact O-N 3.11Å; V199-M203 HydrophobicContact CG1-CE 3.75Å; V199-M203 HydrophobicContact CG1-CG 4.22Å; V199-M203 HydrophobicContact CG1-SD 4.32Å; V199-M203 WeakPolarHBondContact O-CG 3.48Å; V199-M203 PolarHBondContact O-N 3.5Å
200	M	89.4	Confident	87.6	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-40.6	175.6	-66.6	-59.5	84.1	0	0	112.7	A194 F195 S196 N197 M203 A204 R488 F489 I492	A194-M200 WeakPolarHBondContact O-CE 3.26Å; F195-M200 HydrophobicContact CB-CE 4.37Å; F195-M200 HydrophobicContact CD1-CE 3.78Å; F195-M200 HydrophobicContact CD1-SD 4.08Å; F195-M200 HydrophobicContact CG-CE 4.41Å; S196-M200 WeakPolarHBondContact O-CG 3.5Å; S196-M200 PolarHBondContact O-N 3.49Å; N197-M200 PolarHBondContact O-N 2.86Å; M200-M203 HydrophobicContact CE-CE 4.24Å; M200-M203 HydrophobicContact CE-CG 4.3Å; M200-M203 HydrophobicContact CE-SD 3.36Å; M200-M203 WeakPolarHBondContact CE-SD 3.23Å; M200-M203 PolarHBondContact O-N 2.81Å; M200-A204 WeakPolarHBondContact O-CB 3.06Å; M200-A204 PolarHBondContact O-N 3.48Å; M200-R488 HydrophobicContact SD-CB 4.36Å; M200-F489 HydrophobicContact SD-CB 3.91Å; M200-I492 HydrophobicContact CB-CD1 3.83Å; M200-I492 HydrophobicContact CG-CD1 4.32Å; M200-I492 HydrophobicContact SD-CD1 4.48Å
201	R	88.6	Confident	88.1	Confident	124 Å²	124	53.6 Å²	53.6	47%	0.468	29%	0.289	S	S	.	.	H	α-helix	trans	-61.4	-43.3	172.9	-73.1	177.3	-178.4	-179.7	-0.3	112.2	N197 K198 V199 A204 T205 F373	N197-R201 WeakPolarHBondContact O-CG 3.38Å; N197-R201 PolarHBondContact O-N 3.3Å; N197-R201 VanDerWaalsContact O-N 3.14Å; K198-R201 PolarHBondContact O-N 2.88Å; V199-R201 VanDerWaalsContact C-N 3.32Å; V199-R201 PolarHBondContact O-N 3.4Å; R201-A204 PolarHBondContact O-N 3.49Å; R201-T205 PolarHBondContact O-N 3.45Å; R201-T205 VanDerWaalsContact O-N 3.11Å; R201-T205 PolarHBondContact O-OG1 3.28Å; R201-F373 HydrophobicContact CG-CD1 3.62Å; R201-F373 HydrophobicContact CG-CD2 4.37Å; R201-F373 HydrophobicContact CG-CE1 3.4Å; R201-F373 VanDerWaalsContact CG-CE1 3.4Å; R201-F373 HydrophobicContact CG-CE2 4.16Å; R201-F373 HydrophobicContact CG-CG 4.11Å; R201-F373 HydrophobicContact CG-CZ 3.69Å
202	Q	86.8	Confident	88.6	Confident	114 Å²	114	58.3 Å²	58.3	53%	0.533	31%	0.308	S	S	.	.	H	α-helix	trans	-65	-42.8	177.3	-69.1	172.8	-29.7	0	0	111.9	K198 V199 T205 A206	K198-Q202 WeakPolarHBondContact O-CG 3.27Å; K198-Q202 PolarHBondContact O-N 3.31Å; V199-Q202 WeakPolarHBondContact O-CB 3.36Å; V199-Q202 PolarHBondContact O-N 2.87Å; V199-Q202 VanDerWaalsContact O-N 3.11Å; Q202-T205 PolarHBondContact O-N 3.23Å; Q202-A206 WeakPolarHBondContact O-CB 3.4Å; Q202-A206 PolarHBondContact O-N 3.2Å
203	M	89	Confident	89	Confident	24 Å²	24	60.4 Å²	60.4	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-63.9	-41.6	176.5	-71.6	-171.4	176.5	0	0	111.8	V199 M200 A206 S207 C245 F489	V199-M203 HydrophobicContact CG1-CE 3.75Å; V199-M203 HydrophobicContact CG1-CG 4.22Å; V199-M203 HydrophobicContact CG1-SD 4.32Å; V199-M203 WeakPolarHBondContact O-CG 3.48Å; V199-M203 PolarHBondContact O-N 3.5Å; M200-M203 HydrophobicContact CE-CE 4.24Å; M200-M203 HydrophobicContact CE-CG 4.3Å; M200-M203 HydrophobicContact CE-SD 3.36Å; M200-M203 WeakPolarHBondContact CE-SD 3.23Å; M200-M203 PolarHBondContact O-N 2.81Å; M203-A206 PolarHBondContact O-N 3.39Å; M203-S207 WeakPolarHBondContact O-CB 3.21Å; M203-S207 PolarHBondContact O-N 3.12Å; M203-C245 HydrophobicContact CB-CB 4.17Å; M203-C245 HydrophobicContact CE-CB 4.49Å; M203-C245 HydrophobicContact CG-CB 3.85Å; M203-C245 PolarHBondContact O-SG 3.45Å; M203-C245 VanDerWaalsContact O-SG 3.4Å; M203-C245 HydrophobicContact SD-CB 4.03Å; M203-F489 HydrophobicContact CB-CD2 4.35Å; M203-F489 HydrophobicContact CB-CE2 4.24Å; M203-F489 HydrophobicContact SD-CD2 3.68Å; M203-F489 HydrophobicContact SD-CE2 3.87Å
204	A	89.1	Confident	89.6	Confident	4 Å²	4	54.2 Å²	54.2	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-53.2	173.6	0	0	0	0	0	110.9	M200 R201 A206 S207 L208 F373 I492 I496	M200-A204 WeakPolarHBondContact O-CB 3.06Å; M200-A204 PolarHBondContact O-N 3.48Å; R201-A204 PolarHBondContact O-N 3.49Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A204-A206 PolarHBondContact O-N 3.26Å; A204-S207 PolarHBondContact O-N 2.93Å; A204-S207 VanDerWaalsContact O-N 3.12Å; A204-S207 PolarHBondContact O-OG 3.34Å; A204-L208 PolarHBondContact O-N 2.92Å; A204-F373 HydrophobicContact CB-CD2 3.53Å; A204-F373 HydrophobicContact CB-CE2 4.06Å; A204-I492 HydrophobicContact CB-CG2 3.85Å; A204-I496 HydrophobicContact CB-CD1 3.89Å
205	T	90	Very high	90.3	Very high	94 Å²	94	52.7 Å²	52.7	58%	0.577	27%	0.266	S	S	*	.	H	α-helix	trans	-58.8	-43.1	177.4	-56.6	0	0	0	0	112.4	R201 Q202 S207 L208 P209	R201-T205 PolarHBondContact O-N 3.45Å; R201-T205 VanDerWaalsContact O-N 3.11Å; R201-T205 PolarHBondContact O-OG1 3.28Å; Q202-T205 PolarHBondContact O-N 3.23Å; T205-S207 VanDerWaalsContact C-N 3.27Å; T205-S207 PolarHBondContact O-N 3.15Å; T205-L208 PolarHBondContact O-N 2.97Å; T205-P209 WeakPolarHBondContact O-CD 3.45Å
206	A	88.6	Confident	90.8	Very high	37 Å²	37	55.1 Å²	55.1	31%	0.306	28%	0.281	S	S	.	.	H	α-helix	trans	-67.3	-26.5	178.8	0	0	0	0	0	113.2	Q202 M203 A204 Q244	Q202-A206 WeakPolarHBondContact O-CB 3.4Å; Q202-A206 PolarHBondContact O-N 3.2Å; M203-A206 PolarHBondContact O-N 3.39Å; A204-A206 VanDerWaalsContact C-N 3.34Å; A204-A206 PolarHBondContact O-N 3.26Å; A206-Q244 HydrophobicContact CB-CG 4.41Å
207	S	90.8	Very high	91.1	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.028	29%	0.288	C	S	.	.	H	α-helix	trans	-77.7	-26.3	178.1	75.6	0	0	0	0	113.3	M203 A204 T205 K210 I211	M203-S207 WeakPolarHBondContact O-CB 3.21Å; M203-S207 PolarHBondContact O-N 3.12Å; A204-S207 PolarHBondContact O-N 2.93Å; A204-S207 VanDerWaalsContact O-N 3.12Å; A204-S207 PolarHBondContact O-OG 3.34Å; T205-S207 VanDerWaalsContact C-N 3.27Å; T205-S207 PolarHBondContact O-N 3.15Å; S207-K210 WeakPolarHBondContact O-CB 3.42Å; S207-K210 PolarHBondContact O-N 3.25Å; S207-I211 PolarHBondContact O-N 2.8Å
208	L	91.6	Very high	91.6	Very high	33 Å²	33	51.6 Å²	51.6	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-56.5	-46.1	-173.8	-72.5	172.4	0	0	0	114.1	A204 T205 K210 I211 K212 E372 I496	A204-L208 PolarHBondContact O-N 2.92Å; T205-L208 PolarHBondContact O-N 2.97Å; L208-K210 PolarHBondContact O-N 3.04Å; L208-I211 PolarHBondContact O-N 3.34Å; L208-K212 WeakPolarHBondContact O-CB 3.48Å; L208-K212 WeakPolarHBondContact O-CG 3.34Å; L208-K212 PolarHBondContact O-N 2.79Å; L208-E372 WeakPolarHBondContact CD2-OE2 3.35Å; L208-I496 HydrophobicContact CD2-CG2 3.63Å
209	P	92.5	Very high	92	Very high	81 Å²	81	50 Å²	50	53%	0.526	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-34.6	176.6	-24.5	35.2	0	0	0	113	T205 K213	T205-P209 WeakPolarHBondContact O-CD 3.45Å; P209-K213 WeakPolarHBondContact O-CB 3.32Å; P209-K213 PolarHBondContact O-N 3.4Å
210	K	93.4	Very high	92.4	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.087	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-43.2	177.5	-55	-57.9	175.1	-161.5	0	111.3	S207 L208 K213 F214 L237 D240 V241 N250	S207-K210 WeakPolarHBondContact O-CB 3.42Å; S207-K210 PolarHBondContact O-N 3.25Å; L208-K210 PolarHBondContact O-N 3.04Å; K210-K213 PolarHBondContact O-N 2.97Å; K210-F214 WeakPolarHBondContact O-CB 3.25Å; K210-F214 PolarHBondContact O-N 3.01Å; K210-L237 HydrophobicContact CB-CD1 4.25Å; K210-D240 HydrophobicContact CD-CB 4.48Å; K210-V241 HydrophobicContact CB-CG2 3.92Å; K210-N250 PolarHBondContact NZ-ND2 3.39Å; K210-N250 PolarHBondContact NZ-OD1 3.44Å
211	I	94.5	Very high	92.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-64.3	-44	177	-65.7	169.4	0	0	0	110.4	S207 L208 F214 I215 L237 I496 H500	S207-I211 PolarHBondContact O-N 2.8Å; L208-I211 PolarHBondContact O-N 3.34Å; I211-F214 WeakPolarHBondContact O-CB 3.24Å; I211-F214 PolarHBondContact O-N 3.14Å; I211-I215 WeakPolarHBondContact O-CG1 3.35Å; I211-I215 PolarHBondContact O-N 2.77Å; I211-L237 HydrophobicContact CG1-CD1 4.01Å; I211-L237 HydrophobicContact CG1-CD2 4.48Å; I211-I496 HydrophobicContact CD1-CB 3.86Å; I211-I496 HydrophobicContact CD1-CG2 3.37Å; I211-I496 HydrophobicContact CG2-CG2 4.39Å; I211-H500 HydrophobicContact CG2-CB 3.8Å
212	K	94.1	Very high	93.1	Very high	113 Å²	113	50 Å²	50	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-60.1	-48.3	175	-72.1	178.8	179.8	-176.3	0	112.1	L208 F214 I215 D216	L208-K212 WeakPolarHBondContact O-CB 3.48Å; L208-K212 WeakPolarHBondContact O-CG 3.34Å; L208-K212 PolarHBondContact O-N 2.79Å; K212-F214 VanDerWaalsContact C-N 3.25Å; K212-F214 PolarHBondContact O-N 3.23Å; K212-I215 PolarHBondContact O-N 3.04Å; K212-I215 VanDerWaalsContact O-N 3.13Å; K212-D216 PolarHBondContact O-N 2.85Å
213	K	93.9	Very high	93.5	Very high	89 Å²	89	49 Å²	49	39%	0.387	26%	0.261	S	S	.	.	H	α-helix	trans	-56.7	-40.2	174.3	-171.3	-176.3	-172.7	-175.2	0	111.7	P209 K210 D216 S217 D252	P209-K213 WeakPolarHBondContact O-CB 3.32Å; P209-K213 PolarHBondContact O-N 3.4Å; K210-K213 PolarHBondContact O-N 2.97Å; K213-D216 PolarHBondContact O-N 3.28Å; K213-S217 WeakPolarHBondContact O-CB 3.36Å; K213-S217 PolarHBondContact O-N 3.47Å; K213-D252 PolarHBondContact NZ-O 3.39Å; K213-D252 IonicContact NZ-OD1 3.21Å; K213-D252 PolarHBondContact NZ-OD1 3.21Å
214	F	95	Very high	93.8	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.048	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-50.7	174.2	160	-98.2	0	0	0	111.6	K210 I211 K212 D216 S217 L218 N233 F234 L237 T497	K210-F214 WeakPolarHBondContact O-CB 3.25Å; K210-F214 PolarHBondContact O-N 3.01Å; I211-F214 WeakPolarHBondContact O-CB 3.24Å; I211-F214 PolarHBondContact O-N 3.14Å; K212-F214 VanDerWaalsContact C-N 3.25Å; K212-F214 PolarHBondContact O-N 3.23Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.94Å; F214-S217 PolarHBondContact O-N 2.85Å; F214-S217 VanDerWaalsContact O-N 3.08Å; F214-S217 PolarHBondContact O-OG 3.22Å; F214-L218 HydrophobicContact CE1-CD1 4.02Å; F214-L218 HydrophobicContact CE2-CD1 4.28Å; F214-L218 HydrophobicContact CE2-CD2 4.29Å; F214-L218 HydrophobicContact CE2-CG 4.42Å; F214-L218 HydrophobicContact CZ-CD1 3.77Å; F214-L218 HydrophobicContact CZ-CG 4.38Å; F214-L218 PolarHBondContact O-N 3.1Å; F214-N233 HydrophobicContact CD2-CB 4.3Å; F214-N233 HydrophobicContact CE2-CB 3.67Å; F214-F234 HydrophobicContact CE1-CD1 4.4Å; F214-F234 AromaticContact CE1-CE1 3.93Å; F214-F234 HydrophobicContact CE1-CE1 3.93Å; F214-F234 HydrophobicContact CE2-CD1 4.13Å; F214-F234 HydrophobicContact CE2-CE1 4.28Å; F214-F234 AromaticContact CZ-CD1 3.71Å; F214-F234 HydrophobicContact CZ-CD1 3.71Å; F214-F234 AromaticContact CZ-CE1 3.42Å; F214-F234 HydrophobicContact CZ-CE1 3.42Å; F214-F234 VanDerWaalsContact CZ-CE1 3.42Å; F214-F234 HydrophobicContact CZ-CZ 4.23Å; F214-L237 HydrophobicContact CB-CB 4.47Å; F214-L237 HydrophobicContact CB-CD1 3.87Å; F214-L237 HydrophobicContact CB-CD2 4.31Å; F214-L237 HydrophobicContact CB-CG 4.44Å; F214-L237 HydrophobicContact CD1-CD2 3.85Å; F214-L237 HydrophobicContact CD2-CB 4.09Å; F214-L237 HydrophobicContact CD2-CD2 4.24Å; F214-L237 HydrophobicContact CE1-CD2 4.19Å; F214-L237 HydrophobicContact CG-CB 4.31Å; F214-L237 HydrophobicContact CG-CD1 4.34Å; F214-L237 HydrophobicContact CG-CD2 3.88Å; F214-L237 HydrophobicContact CG-CG 4.39Å; F214-T497 HydrophobicContact CD1-CG2 4.43Å; F214-T497 HydrophobicContact CE1-CG2 4.02Å
215	I	96.3	Very high	94	Very high	8 Å²	8	55 Å²	55	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-42.5	176.9	-64.7	-50.8	0	0	0	112.1	I211 K212 S217 L218 H500 L501 N504 Y505	I211-I215 WeakPolarHBondContact O-CG1 3.35Å; I211-I215 PolarHBondContact O-N 2.77Å; K212-I215 PolarHBondContact O-N 3.04Å; K212-I215 VanDerWaalsContact O-N 3.13Å; I215-S217 VanDerWaalsContact C-N 3.32Å; I215-S217 PolarHBondContact O-N 3.42Å; I215-L218 WeakPolarHBondContact O-CB 3.05Å; I215-L218 PolarHBondContact O-N 3.46Å; I215-L218 VanDerWaalsContact O-N 3.16Å; I215-H500 HydrophobicContact CD1-CB 4.14Å; I215-H500 HydrophobicContact CG1-CB 3.85Å; I215-L501 HydrophobicContact CD1-CB 4.16Å; I215-L501 HydrophobicContact CD1-CD1 4.31Å; I215-N504 HydrophobicContact CG2-CB 4.02Å; I215-Y505 HydrophobicContact CG2-CE2 3.88Å; I215-Y505 PolarHBondContact O-OH 3.32Å
216	D	95	Very high	94.3	Very high	84 Å²	84	56 Å²	56	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-65	-37	176.8	-76.9	-38.8	0	0	0	111.9	K212 K213 F214 L218 R219	K212-D216 PolarHBondContact O-N 2.85Å; K213-D216 PolarHBondContact O-N 3.28Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.94Å; D216-L218 PolarHBondContact O-N 3.22Å; D216-R219 VanDerWaalsContact O-CB 3.23Å; D216-R219 WeakPolarHBondContact O-CB 3.21Å; D216-R219 PolarHBondContact O-N 2.98Å; D216-R219 VanDerWaalsContact O-N 3.09Å; D216-R219 IonicContact OD1-CZ 3.93Å; D216-R219 IonicContact OD1-NH2 2.91Å; D216-R219 PolarHBondContact OD1-NH2 2.9Å
217	S	94.2	Very high	94.7	Very high	58 Å²	58	57.4 Å²	57.4	41%	0.406	30%	0.296	S	S	.	.	H	α-helix	trans	-67.9	-15.1	175.7	74.4	0	0	0	0	113.8	K213 F214 I215 P220	K213-S217 WeakPolarHBondContact O-CB 3.36Å; K213-S217 PolarHBondContact O-N 3.47Å; F214-S217 PolarHBondContact O-N 2.85Å; F214-S217 VanDerWaalsContact O-N 3.08Å; F214-S217 PolarHBondContact O-OG 3.22Å; I215-S217 VanDerWaalsContact C-N 3.32Å; I215-S217 PolarHBondContact O-N 3.42Å; S217-P220 WeakPolarHBondContact O-CD 3.46Å
218	L	96.4	Very high	95	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-14.6	173.3	-61.3	-174.2	0	0	0	113.4	F214 I215 D216 P220 Y221 A222 F228 N233 L501 Y505 I536	F214-L218 HydrophobicContact CE1-CD1 4.02Å; F214-L218 HydrophobicContact CE2-CD1 4.28Å; F214-L218 HydrophobicContact CE2-CD2 4.29Å; F214-L218 HydrophobicContact CE2-CG 4.42Å; F214-L218 HydrophobicContact CZ-CD1 3.77Å; F214-L218 HydrophobicContact CZ-CG 4.38Å; F214-L218 PolarHBondContact O-N 3.1Å; I215-L218 WeakPolarHBondContact O-CB 3.05Å; I215-L218 PolarHBondContact O-N 3.46Å; I215-L218 VanDerWaalsContact O-N 3.16Å; D216-L218 PolarHBondContact O-N 3.22Å; L218-P220 VanDerWaalsContact C-CD 3.49Å; L218-Y221 HydrophobicContact CD2-CD2 4.34Å; L218-Y221 PolarHBondContact O-N 3.37Å; L218-Y221 VanDerWaalsContact O-N 3.17Å; L218-A222 PolarHBondContact O-N 2.96Å; L218-F228 HydrophobicContact CD2-CE2 3.78Å; L218-F228 HydrophobicContact CD2-CZ 4.15Å; L218-N233 HydrophobicContact CD2-CB 4.44Å; L218-L501 HydrophobicContact CD1-CD1 3.67Å; L218-Y505 HydrophobicContact CB-CE2 3.89Å; L218-Y505 HydrophobicContact CD1-CE2 4.3Å; L218-I536 HydrophobicContact CB-CD1 3.87Å
219	R	95.7	Very high	95.2	Very high	123 Å²	123	58.3 Å²	58.3	46%	0.464	30%	0.3	S	S	.	.	H	α-helix	trans	-55.7	-43.4	-175.4	-171.9	-176.8	-57.2	-167.6	4.8	113.7	D216 Y221 A222 D223 Y505	D216-R219 VanDerWaalsContact O-CB 3.23Å; D216-R219 WeakPolarHBondContact O-CB 3.21Å; D216-R219 PolarHBondContact O-N 2.98Å; D216-R219 VanDerWaalsContact O-N 3.09Å; D216-R219 IonicContact OD1-CZ 3.93Å; D216-R219 IonicContact OD1-NH2 2.91Å; D216-R219 PolarHBondContact OD1-NH2 2.9Å; R219-Y221 VanDerWaalsContact C-N 3.31Å; R219-Y221 PolarHBondContact O-N 3.4Å; R219-A222 WeakPolarHBondContact O-CB 3.42Å; R219-A222 PolarHBondContact O-N 2.86Å; R219-A222 VanDerWaalsContact O-N 3.1Å; R219-D223 PolarHBondContact O-N 3.38Å; R219-Y505 WeakPolarHBondContact CA-OH 3.22Å; R219-Y505 PolarHBondContact N-OH 3.19Å
220	P	95.7	Very high	95.4	Very high	80 Å²	80	54.5 Å²	54.5	52%	0.519	28%	0.275	S	S	.	.	H	α-helix	trans	-57.9	-40.6	178.2	-25.8	36.5	0	0	0	113.3	S217 L218 A222 D223 S224	S217-P220 WeakPolarHBondContact O-CD 3.46Å; L218-P220 VanDerWaalsContact C-CD 3.49Å; P220-A222 VanDerWaalsContact C-N 3.32Å; P220-A222 PolarHBondContact O-N 3.47Å; P220-D223 PolarHBondContact O-N 2.79Å; P220-S224 WeakPolarHBondContact O-CB 3.2Å; P220-S224 PolarHBondContact O-N 2.7Å; P220-S224 PolarHBondContact O-OG 3.09Å
221	Y	96.5	Very high	95.6	Very high	65 Å²	65	54 Å²	54	26%	0.255	27%	0.273	S	S	.	.	H	α-helix	trans	-66.8	-34.6	177.3	-56.3	-75.2	0	0	0	112.2	L218 R219 L225 E226 F228	L218-Y221 HydrophobicContact CD2-CD2 4.34Å; L218-Y221 PolarHBondContact O-N 3.37Å; L218-Y221 VanDerWaalsContact O-N 3.17Å; R219-Y221 VanDerWaalsContact C-N 3.31Å; R219-Y221 PolarHBondContact O-N 3.4Å; Y221-L225 VanDerWaalsContact O-CA 3.31Å; Y221-L225 WeakPolarHBondContact O-CA 3.33Å; Y221-L225 PolarHBondContact O-N 3.22Å; Y221-E226 HydrophobicContact CD1-CB 4.36Å; Y221-E226 PolarHBondContact O-N 3.38Å; Y221-F228 HydrophobicContact CD1-CB 3.54Å; Y221-F228 AromaticContact CD1-CD1 3.84Å; Y221-F228 HydrophobicContact CD1-CD1 3.84Å; Y221-F228 HydrophobicContact CD1-CD2 4.37Å; Y221-F228 AromaticContact CD1-CG 3.65Å; Y221-F228 HydrophobicContact CD1-CG 3.65Å; Y221-F228 HydrophobicContact CD2-CD1 4.38Å; Y221-F228 HydrophobicContact CD2-CD2 4.17Å; Y221-F228 HydrophobicContact CD2-CE2 4.37Å; Y221-F228 HydrophobicContact CD2-CG 4.18Å; Y221-F228 HydrophobicContact CE1-CB 3.53Å; Y221-F228 HydrophobicContact CE1-CD2 4.44Å; Y221-F228 AromaticContact CE1-CG 3.95Å; Y221-F228 HydrophobicContact CE1-CG 3.95Å; Y221-F228 HydrophobicContact CE2-CD2 4.25Å; Y221-F228 HydrophobicContact CE2-CG 4.46Å; Y221-F228 HydrophobicContact CG-CB 4.2Å; Y221-F228 AromaticContact CG-CD1 3.72Å; Y221-F228 HydrophobicContact CG-CD1 3.72Å; Y221-F228 HydrophobicContact CG-CD2 4.23Å; Y221-F228 HydrophobicContact CG-CE1 4.16Å; Y221-F228 AromaticContact CG-CG 3.77Å; Y221-F228 HydrophobicContact CG-CG 3.77Å
222	A	95.3	Very high	95.5	Very high	8 Å²	8	59.7 Å²	59.7	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-71	-31.6	175.8	0	0	0	0	0	112.9	L218 R219 P220 Y505 I536 K538	L218-A222 PolarHBondContact O-N 2.96Å; R219-A222 WeakPolarHBondContact O-CB 3.42Å; R219-A222 PolarHBondContact O-N 2.86Å; R219-A222 VanDerWaalsContact O-N 3.1Å; P220-A222 VanDerWaalsContact C-N 3.32Å; P220-A222 PolarHBondContact O-N 3.47Å; A222-Y505 HydrophobicContact CB-CD1 3.79Å; A222-Y505 HydrophobicContact CB-CE1 3.45Å; A222-Y505 VanDerWaalsContact CB-CE1 3.45Å; A222-I536 HydrophobicContact CB-CD1 4.02Å; A222-I536 HydrophobicContact CB-CG1 3.9Å; A222-K538 HydrophobicContact CB-CG 4.23Å
223	D	95.7	Very high	95.5	Very high	94 Å²	94	55.8 Å²	55.8	50%	0.503	28%	0.282	S	S	.	.	H	α-helix	trans	-78.8	-40.6	178.3	-71.4	-25.3	0	0	0	112	R219 P220 K538	R219-D223 PolarHBondContact O-N 3.38Å; P220-D223 PolarHBondContact O-N 2.79Å; D223-K538 WeakPolarHBondContact OD1-CE 3.42Å; D223-K538 IonicContact OD1-NZ 2.59Å; D223-K538 PolarHBondContact OD1-NZ 3.46Å; D223-K538 IonicContact OD2-NZ 3.77Å
224	S	95.8	Very high	95.6	Very high	69 Å²	69	51.5 Å²	51.5	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-84	-15.3	179.5	65.7	0	0	0	0	114.1	P220 E226	P220-S224 WeakPolarHBondContact O-CB 3.2Å; P220-S224 PolarHBondContact O-N 2.7Å; P220-S224 PolarHBondContact O-OG 3.09Å; S224-E226 PolarHBondContact O-N 3.29Å; S224-E226 WeakPolarHBondContact OG-CB 3.28Å; S224-E226 PolarHBondContact OG-N 2.94Å
225	L	94	Very high	95.5	Very high	85 Å²	85	51.6 Å²	51.6	45%	0.445	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	25.6	-168.5	-59.3	176.9	0	0	0	113	Y221 Q535 T537	Y221-L225 VanDerWaalsContact O-CA 3.31Å; Y221-L225 WeakPolarHBondContact O-CA 3.33Å; Y221-L225 PolarHBondContact O-N 3.22Å; L225-Q535 PolarHBondContact O-NE2 3.22Å; L225-T537 HydrophobicContact CD2-CG2 3.8Å
226	E	95.2	Very high	95.3	Very high	115 Å²	115	53.1 Å²	53.1	54%	0.537	27%	0.274	S	S	.	.			trans	-69	138.8	179	-175.8	177.3	-178.6	0	0	111.3	Y221 S224	Y221-E226 HydrophobicContact CD1-CB 4.36Å; Y221-E226 PolarHBondContact O-N 3.38Å; S224-E226 PolarHBondContact O-N 3.29Å; S224-E226 WeakPolarHBondContact OG-CB 3.28Å; S224-E226 PolarHBondContact OG-N 2.94Å
227	E	96.7	Very high	95.2	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.304	25%	0.253	S	S	.	.			trans	-73.6	128.7	172.9	-55.6	-176.8	164.1	0	0	109.3	C510 K511 S512 V533 L534	E227-C510 HydrophobicContact CG-CB 3.76Å; E227-C510 VanDerWaalsContact OE1-CB 3.31Å; E227-C510 WeakPolarHBondContact OE1-CB 3.5Å; E227-K511 PolarHBondContact OE1-N 3.1Å; E227-K511 VanDerWaalsContact OE1-N 3.1Å; E227-S512 WeakPolarHBondContact OE2-CB 3.41Å; E227-S512 PolarHBondContact OE2-N 3.29Å; E227-S512 PolarHBondContact OE2-OG 3.13Å; E227-V533 HydrophobicContact CB-CG1 4.02Å; E227-L534 WeakPolarHBondContact CA-O 3.38Å
228	F	97.1	Very high	95.2	Very high	12 Å²	12	46.6 Å²	46.6	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.4	-177	74.5	-75	0	0	0	112.6	L218 Y221 I230 V533 L534 I536	L218-F228 HydrophobicContact CD2-CE2 3.78Å; L218-F228 HydrophobicContact CD2-CZ 4.15Å; Y221-F228 HydrophobicContact CD1-CB 3.54Å; Y221-F228 AromaticContact CD1-CD1 3.84Å; Y221-F228 HydrophobicContact CD1-CD1 3.84Å; Y221-F228 HydrophobicContact CD1-CD2 4.37Å; Y221-F228 AromaticContact CD1-CG 3.65Å; Y221-F228 HydrophobicContact CD1-CG 3.65Å; Y221-F228 HydrophobicContact CD2-CD1 4.38Å; Y221-F228 HydrophobicContact CD2-CD2 4.17Å; Y221-F228 HydrophobicContact CD2-CE2 4.37Å; Y221-F228 HydrophobicContact CD2-CG 4.18Å; Y221-F228 HydrophobicContact CE1-CB 3.53Å; Y221-F228 HydrophobicContact CE1-CD2 4.44Å; Y221-F228 AromaticContact CE1-CG 3.95Å; Y221-F228 HydrophobicContact CE1-CG 3.95Å; Y221-F228 HydrophobicContact CE2-CD2 4.25Å; Y221-F228 HydrophobicContact CE2-CG 4.46Å; Y221-F228 HydrophobicContact CG-CB 4.2Å; Y221-F228 AromaticContact CG-CD1 3.72Å; Y221-F228 HydrophobicContact CG-CD1 3.72Å; Y221-F228 HydrophobicContact CG-CD2 4.23Å; Y221-F228 HydrophobicContact CG-CE1 4.16Å; Y221-F228 AromaticContact CG-CG 3.77Å; Y221-F228 HydrophobicContact CG-CG 3.77Å; F228-I230 HydrophobicContact CE2-CB 3.83Å; F228-I230 HydrophobicContact CE2-CG1 3.96Å; F228-I230 HydrophobicContact CZ-CB 4.3Å; F228-I230 HydrophobicContact CZ-CD1 4.49Å; F228-I230 HydrophobicContact CZ-CG1 4.33Å; F228-I230 PolarHBondContact O-N 3.36Å; F228-V533 CarbonylContact O-C 3.56Å; F228-V533 VanDerWaalsContact O-CA 3.3Å; F228-V533 WeakPolarHBondContact O-CA 3.49Å; F228-L534 PolarHBondContact N-O 3.31Å; F228-L534 PolarHBondContact O-N 3.46Å; F228-I536 HydrophobicContact CE1-CB 4.41Å; F228-I536 HydrophobicContact CE1-CD1 3.96Å; F228-I536 HydrophobicContact CE1-CG1 3.86Å; F228-I536 HydrophobicContact CE1-CG2 3.89Å; F228-I536 HydrophobicContact CZ-CD1 3.93Å; F228-I536 HydrophobicContact CZ-CG1 4.3Å; F228-I536 HydrophobicContact CZ-CG2 4Å
229	D	96.9	Very high	94.9	Very high	45 Å²	45	46.6 Å²	46.6	24%	0.241	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	96.8	177	177.4	16.2	0	0	0	111.8	Y231 K232 N233 G531 V532 V533	D229-Y231 PolarHBondContact O-N 3.39Å; D229-Y231 VanDerWaalsContact OD1-CB 3.24Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.41Å; D229-Y231 PolarHBondContact OD1-N 3.33Å; D229-K232 HydrophobicContact CB-CB 4.41Å; D229-K232 WeakPolarHBondContact O-CB 3.43Å; D229-K232 PolarHBondContact O-N 3.29Å; D229-N233 PolarHBondContact O-OD1 2.91Å; D229-G531 WeakPolarHBondContact OD1-CA 3.47Å; D229-V532 WeakPolarHBondContact CA-O 3.24Å; D229-V532 PolarHBondContact OD1-N 2.89Å; D229-V533 HydrophobicContact CB-CG2 4.47Å
230	I	97.3	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.3	-25.9	179.5	-159.9	173	0	0	0	112.6	F228 K232 N233 F234 L501 V532 L534	F228-I230 HydrophobicContact CE2-CB 3.83Å; F228-I230 HydrophobicContact CE2-CG1 3.96Å; F228-I230 HydrophobicContact CZ-CB 4.3Å; F228-I230 HydrophobicContact CZ-CD1 4.49Å; F228-I230 HydrophobicContact CZ-CG1 4.33Å; F228-I230 PolarHBondContact O-N 3.36Å; I230-K232 VanDerWaalsContact C-N 3.31Å; I230-K232 PolarHBondContact O-N 3.17Å; I230-N233 PolarHBondContact O-N 2.81Å; I230-N233 VanDerWaalsContact O-N 3.12Å; I230-F234 HydrophobicContact CB-CE2 4.29Å; I230-F234 HydrophobicContact CD1-CE2 3.75Å; I230-F234 HydrophobicContact CD1-CZ 3.64Å; I230-F234 HydrophobicContact CG1-CD2 4.12Å; I230-F234 HydrophobicContact CG1-CE2 3.6Å; I230-F234 HydrophobicContact CG1-CZ 3.84Å; I230-F234 HydrophobicContact CG2-CD2 4.3Å; I230-F234 HydrophobicContact CG2-CE2 3.87Å; I230-F234 VanDerWaalsContact O-CD2 3.28Å; I230-F234 WeakPolarHBondContact O-CD2 3.44Å; I230-F234 PolarHBondContact O-N 2.89Å; I230-L501 HydrophobicContact CD1-CD1 4.31Å; I230-L501 HydrophobicContact CD1-CD2 4.09Å; I230-V532 HydrophobicContact CG2-CB 3.98Å; I230-V532 HydrophobicContact CG2-CG1 3.85Å; I230-V532 PolarHBondContact N-O 3.03Å; I230-L534 HydrophobicContact CG2-CD1 3.91Å
231	Y	96	Very high	94.4	Very high	11 Å²	11	37.3 Å²	37.3	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-40.6	178.9	175.9	-119.2	0	0	0	111	D229 N233 F234 Q235 E333 S336 T337 P528	D229-Y231 PolarHBondContact O-N 3.39Å; D229-Y231 VanDerWaalsContact OD1-CB 3.24Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.41Å; D229-Y231 PolarHBondContact OD1-N 3.33Å; Y231-N233 VanDerWaalsContact C-N 3.32Å; Y231-N233 PolarHBondContact O-N 2.81Å; Y231-F234 PolarHBondContact O-N 2.98Å; Y231-Q235 HydrophobicContact CE1-CG 4.43Å; Y231-Q235 HydrophobicContact CE2-CG 4.25Å; Y231-Q235 PolarHBondContact O-N 3.21Å; Y231-Q235 PolarHBondContact OH-NE2 2.93Å; Y231-E333 PolarHBondContact OH-OE1 2.84Å; Y231-E333 PolarHBondContact OH-OE2 2.92Å; Y231-S336 WeakPolarHBondContact CD2-O 3.44Å; Y231-T337 PolarHBondContact OH-OG1 2.69Å; Y231-P528 HydrophobicContact CG-CG 4.4Å
232	K	93.2	Very high	94	Very high	119 Å²	119	34.8 Å²	34.8	52%	0.517	18%	0.18	S	C	.	.	H	α-helix	trans	-60.9	-39.5	173.5	-174.3	178.7	178.2	-176	0	112.1	D229 I230 Q235 V236	D229-K232 HydrophobicContact CB-CB 4.41Å; D229-K232 WeakPolarHBondContact O-CB 3.43Å; D229-K232 PolarHBondContact O-N 3.29Å; I230-K232 VanDerWaalsContact C-N 3.31Å; I230-K232 PolarHBondContact O-N 3.17Å; K232-Q235 WeakPolarHBondContact O-CB 3.22Å; K232-Q235 PolarHBondContact O-N 2.89Å; K232-V236 PolarHBondContact O-N 2.99Å
233	N	94.2	Very high	93.4	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.16	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-38.3	176.2	-60.1	87.5	0	0	0	111.9	F214 L218 D229 I230 Y231 Q235 V236 L237	F214-N233 HydrophobicContact CD2-CB 4.3Å; F214-N233 HydrophobicContact CE2-CB 3.67Å; L218-N233 HydrophobicContact CD2-CB 4.44Å; D229-N233 PolarHBondContact O-OD1 2.91Å; I230-N233 PolarHBondContact O-N 2.81Å; I230-N233 VanDerWaalsContact O-N 3.12Å; Y231-N233 VanDerWaalsContact C-N 3.32Å; Y231-N233 PolarHBondContact O-N 2.81Å; N233-Q235 VanDerWaalsContact C-N 3.31Å; N233-Q235 PolarHBondContact O-N 3.38Å; N233-V236 PolarHBondContact O-N 3.17Å; N233-L237 PolarHBondContact O-N 3.07Å
234	F	96.3	Very high	92.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-36.2	172.9	-71.6	-48.6	0	0	0	112.7	F214 I230 Y231 V236 L237 T238 M339 S343 T497 M498 L501	F214-F234 HydrophobicContact CE1-CD1 4.4Å; F214-F234 AromaticContact CE1-CE1 3.93Å; F214-F234 HydrophobicContact CE1-CE1 3.93Å; F214-F234 HydrophobicContact CE2-CD1 4.13Å; F214-F234 HydrophobicContact CE2-CE1 4.28Å; F214-F234 AromaticContact CZ-CD1 3.71Å; F214-F234 HydrophobicContact CZ-CD1 3.71Å; F214-F234 AromaticContact CZ-CE1 3.42Å; F214-F234 HydrophobicContact CZ-CE1 3.42Å; F214-F234 VanDerWaalsContact CZ-CE1 3.42Å; F214-F234 HydrophobicContact CZ-CZ 4.23Å; I230-F234 HydrophobicContact CB-CE2 4.29Å; I230-F234 HydrophobicContact CD1-CE2 3.75Å; I230-F234 HydrophobicContact CD1-CZ 3.64Å; I230-F234 HydrophobicContact CG1-CD2 4.12Å; I230-F234 HydrophobicContact CG1-CE2 3.6Å; I230-F234 HydrophobicContact CG1-CZ 3.84Å; I230-F234 HydrophobicContact CG2-CD2 4.3Å; I230-F234 HydrophobicContact CG2-CE2 3.87Å; I230-F234 VanDerWaalsContact O-CD2 3.28Å; I230-F234 WeakPolarHBondContact O-CD2 3.44Å; I230-F234 PolarHBondContact O-N 2.89Å; Y231-F234 PolarHBondContact O-N 2.98Å; F234-V236 VanDerWaalsContact C-N 3.34Å; F234-V236 PolarHBondContact O-N 3.3Å; F234-L237 HydrophobicContact CD1-CD2 4.36Å; F234-L237 PolarHBondContact O-N 3.14Å; F234-T238 WeakPolarHBondContact O-CB 3.45Å; F234-T238 VanDerWaalsContact O-CG2 3.24Å; F234-T238 WeakPolarHBondContact O-CG2 3.42Å; F234-T238 PolarHBondContact O-N 2.93Å; F234-T238 PolarHBondContact O-OG1 3.35Å; F234-M339 HydrophobicContact CB-CE 4.2Å; F234-M339 HydrophobicContact CD1-CB 3.89Å; F234-M339 HydrophobicContact CD1-CE 3.84Å; F234-M339 HydrophobicContact CD1-SD 3.95Å; F234-M339 HydrophobicContact CD2-CB 3.76Å; F234-M339 HydrophobicContact CE1-CB 3.94Å; F234-M339 HydrophobicContact CE1-SD 4.1Å; F234-M339 HydrophobicContact CE2-CB 3.8Å; F234-M339 WeakPolarHBondContact CE2-O 3.43Å; F234-M339 HydrophobicContact CG-CB 3.82Å; F234-M339 HydrophobicContact CG-CE 4.2Å; F234-M339 HydrophobicContact CZ-CB 3.91Å; F234-S343 VanDerWaalsContact CE2-OG 3.26Å; F234-S343 WeakPolarHBondContact CE2-OG 3.42Å; F234-S343 WeakPolarHBondContact CZ-OG 3.37Å; F234-T497 HydrophobicContact CD1-CG2 4.32Å; F234-T497 HydrophobicContact CE1-CG2 3.82Å; F234-M498 HydrophobicContact CE1-CE 3.82Å; F234-M498 HydrophobicContact CZ-CE 3.66Å; F234-L501 HydrophobicContact CZ-CD2 4.07Å
235	Q	92.6	Very high	92.4	Very high	12 Å²	12	29.9 Å²	29.9	6%	0.056	15%	0.147	C	C	.	.	H	α-helix	trans	-59.1	-44.5	173.6	-83.6	-174.5	-24.7	0	0	111.6	Y231 K232 N233 T238 V239 L262 Y332 E333	Y231-Q235 HydrophobicContact CE1-CG 4.43Å; Y231-Q235 HydrophobicContact CE2-CG 4.25Å; Y231-Q235 PolarHBondContact O-N 3.21Å; Y231-Q235 PolarHBondContact OH-NE2 2.93Å; K232-Q235 WeakPolarHBondContact O-CB 3.22Å; K232-Q235 PolarHBondContact O-N 2.89Å; N233-Q235 VanDerWaalsContact C-N 3.31Å; N233-Q235 PolarHBondContact O-N 3.38Å; Q235-T238 PolarHBondContact O-OG1 3.4Å; Q235-T238 VanDerWaalsContact O-OG1 3.07Å; Q235-V239 PolarHBondContact O-N 3.09Å; Q235-L262 WeakPolarHBondContact O-CD2 3.03Å; Q235-Y332 HydrophobicContact CB-CE2 3.54Å; Q235-Y332 HydrophobicContact CG-CE2 3.65Å; Q235-Y332 WeakPolarHBondContact CG-OH 3.4Å; Q235-Y332 PolarHBondContact NE2-OH 3.45Å; Q235-Y332 WeakPolarHBondContact O-CD2 3.28Å; Q235-Y332 WeakPolarHBondContact O-CE2 3.42Å; Q235-Y332 PolarHBondContact OE1-OH 3.37Å; Q235-E333 PolarHBondContact NE2-OE2 3.24Å
236	V	91.5	Very high	91.6	Very high	40 Å²	40	27.9 Å²	27.9	24%	0.242	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-49.3	174.5	178.4	0	0	0	0	111.1	K232 N233 F234 T238 D240 G253 L262	K232-V236 PolarHBondContact O-N 2.99Å; N233-V236 PolarHBondContact O-N 3.17Å; F234-V236 VanDerWaalsContact C-N 3.34Å; F234-V236 PolarHBondContact O-N 3.3Å; V236-T238 VanDerWaalsContact C-N 3.35Å; V236-T238 PolarHBondContact O-N 3.29Å; V236-D240 PolarHBondContact O-N 3.37Å; V236-D240 VanDerWaalsContact O-N 3.1Å; V236-G253 WeakPolarHBondContact CG1-O 3.23Å; V236-L262 HydrophobicContact CB-CD1 4.41Å; V236-L262 HydrophobicContact CG2-CD1 3.87Å
237	L	93.9	Very high	90.7	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-58	-45.9	179.6	172.4	64.1	0	0	0	112.2	K210 I211 F214 N233 F234 D240 V241 T497	K210-L237 HydrophobicContact CB-CD1 4.25Å; I211-L237 HydrophobicContact CG1-CD1 4.01Å; I211-L237 HydrophobicContact CG1-CD2 4.48Å; F214-L237 HydrophobicContact CB-CB 4.47Å; F214-L237 HydrophobicContact CB-CD1 3.87Å; F214-L237 HydrophobicContact CB-CD2 4.31Å; F214-L237 HydrophobicContact CB-CG 4.44Å; F214-L237 HydrophobicContact CD1-CD2 3.85Å; F214-L237 HydrophobicContact CD2-CB 4.09Å; F214-L237 HydrophobicContact CD2-CD2 4.24Å; F214-L237 HydrophobicContact CE1-CD2 4.19Å; F214-L237 HydrophobicContact CG-CB 4.31Å; F214-L237 HydrophobicContact CG-CD1 4.34Å; F214-L237 HydrophobicContact CG-CD2 3.88Å; F214-L237 HydrophobicContact CG-CG 4.39Å; N233-L237 PolarHBondContact O-N 3.07Å; F234-L237 HydrophobicContact CD1-CD2 4.36Å; F234-L237 PolarHBondContact O-N 3.14Å; L237-D240 PolarHBondContact O-N 2.96Å; L237-V241 HydrophobicContact CD1-CG2 3.7Å; L237-V241 HydrophobicContact CG-CG2 4.22Å; L237-V241 WeakPolarHBondContact O-CB 3.28Å; L237-V241 VanDerWaalsContact O-CG2 3.27Å; L237-V241 WeakPolarHBondContact O-CG2 3.26Å; L237-V241 PolarHBondContact O-N 3.33Å; L237-T497 HydrophobicContact CD2-CG2 3.55Å
238	T	93.6	Very high	89.6	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69	-39.2	-173.4	47.6	0	0	0	0	112.4	F234 Q235 V236 V241 I242 Y332 M339	F234-T238 WeakPolarHBondContact O-CB 3.45Å; F234-T238 VanDerWaalsContact O-CG2 3.24Å; F234-T238 WeakPolarHBondContact O-CG2 3.42Å; F234-T238 PolarHBondContact O-N 2.93Å; F234-T238 PolarHBondContact O-OG1 3.35Å; Q235-T238 PolarHBondContact O-OG1 3.4Å; Q235-T238 VanDerWaalsContact O-OG1 3.07Å; V236-T238 VanDerWaalsContact C-N 3.35Å; V236-T238 PolarHBondContact O-N 3.29Å; T238-V241 PolarHBondContact O-N 2.75Å; T238-I242 VanDerWaalsContact O-CG2 3.28Å; T238-I242 WeakPolarHBondContact O-CG2 3.2Å; T238-I242 PolarHBondContact O-N 2.62Å; T238-Y332 PolarHBondContact OG1-O 2.92Å; T238-Y332 VanDerWaalsContact OG1-O 3.13Å; T238-M339 HydrophobicContact CG2-CE 3.32Å
239	V	89	Confident	88.4	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-50.3	169.3	162.5	0	0	0	0	111.1	Q235 V241 I242 A243 L251 F261 L262 Y332	Q235-V239 PolarHBondContact O-N 3.09Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.78Å; V239-I242 WeakPolarHBondContact O-CG2 3.42Å; V239-I242 PolarHBondContact O-N 3.49Å; V239-A243 WeakPolarHBondContact O-CB 3.39Å; V239-A243 PolarHBondContact O-N 2.68Å; V239-L251 HydrophobicContact CG1-CD1 3.51Å; V239-F261 HydrophobicContact CG1-CD1 3.57Å; V239-F261 HydrophobicContact CG1-CE1 3.9Å; V239-L262 HydrophobicContact CB-CD2 3.88Å; V239-L262 HydrophobicContact CB-CG 4.3Å; V239-L262 HydrophobicContact CG1-CD2 4.44Å; V239-L262 HydrophobicContact CG1-CG 4.35Å; V239-L262 HydrophobicContact CG2-CD2 3.29Å; V239-L262 HydrophobicContact CG2-CG 3.99Å; V239-Y332 HydrophobicContact CB-CD2 4.36Å; V239-Y332 HydrophobicContact CG2-CD2 3.19Å; V239-Y332 HydrophobicContact CG2-CE2 3.66Å; V239-Y332 HydrophobicContact CG2-CG 3.73Å
240	D	88.8	Confident	87.3	Confident	9 Å²	9	25.4 Å²	25.4	5%	0.048	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-42.5	-178.6	-87	9.6	0	0	0	111.6	K210 V236 L237 Q244 L251 G253	K210-D240 HydrophobicContact CD-CB 4.48Å; V236-D240 PolarHBondContact O-N 3.37Å; V236-D240 VanDerWaalsContact O-N 3.1Å; L237-D240 PolarHBondContact O-N 2.96Å; D240-Q244 VanDerWaalsContact O-CB 3.28Å; D240-Q244 WeakPolarHBondContact O-CB 3.41Å; D240-Q244 PolarHBondContact O-N 3.4Å; D240-L251 VanDerWaalsContact OD1-CB 3.28Å; D240-L251 WeakPolarHBondContact OD1-CB 3.38Å; D240-G253 WeakPolarHBondContact OD1-CA 3.29Å; D240-G253 PolarHBondContact OD1-N 3.44Å; D240-G253 VanDerWaalsContact OD1-N 3.16Å; D240-G253 WeakPolarHBondContact OD2-CA 3.21Å; D240-G253 PolarHBondContact OD2-N 3.05Å
241	V	92.2	Very high	86.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67	-48.8	179.3	169.3	0	0	0	0	111	K210 L237 T238 V239 A243 Q244 C245 F489 Q493	K210-V241 HydrophobicContact CB-CG2 3.92Å; L237-V241 HydrophobicContact CD1-CG2 3.7Å; L237-V241 HydrophobicContact CG-CG2 4.22Å; L237-V241 WeakPolarHBondContact O-CB 3.28Å; L237-V241 VanDerWaalsContact O-CG2 3.27Å; L237-V241 WeakPolarHBondContact O-CG2 3.26Å; L237-V241 PolarHBondContact O-N 3.33Å; T238-V241 PolarHBondContact O-N 2.75Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.78Å; V241-A243 VanDerWaalsContact C-N 3.31Å; V241-A243 PolarHBondContact O-N 2.98Å; V241-Q244 PolarHBondContact O-N 3.18Å; V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.04Å; V241-C245 PolarHBondContact O-N 2.94Å; V241-C245 PolarHBondContact O-SG 2.91Å; V241-F489 HydrophobicContact CG1-CZ 4Å; V241-Q493 HydrophobicContact CG1-CG 4.32Å; V241-Q493 VanDerWaalsContact CG1-NE2 3.34Å
242	I	88.3	Confident	84.9	Confident	12 Å²	12	29.2 Å²	29.2	6%	0.062	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-35.6	179.5	-168.3	61.8	0	0	0	111.3	T238 V239 C245 A246 L328 F489	T238-I242 VanDerWaalsContact O-CG2 3.28Å; T238-I242 WeakPolarHBondContact O-CG2 3.2Å; T238-I242 PolarHBondContact O-N 2.62Å; V239-I242 WeakPolarHBondContact O-CG2 3.42Å; V239-I242 PolarHBondContact O-N 3.49Å; I242-C245 PolarHBondContact O-N 2.74Å; I242-A246 HydrophobicContact CD1-CB 3.98Å; I242-A246 HydrophobicContact CG1-CB 4.28Å; I242-A246 WeakPolarHBondContact O-CB 3.48Å; I242-A246 PolarHBondContact O-N 3.48Å; I242-L328 HydrophobicContact CG2-CD1 3.49Å; I242-L328 VanDerWaalsContact CG2-CD1 3.49Å; I242-F489 HydrophobicContact CD1-CE1 3.8Å; I242-F489 HydrophobicContact CD1-CZ 3.9Å
243	A	83.6	Confident	83.3	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-41.6	176.1	0	0	0	0	0	111.8	V239 V241 F247 A248 L249 L251	V239-A243 WeakPolarHBondContact O-CB 3.39Å; V239-A243 PolarHBondContact O-N 2.68Å; V241-A243 VanDerWaalsContact C-N 3.31Å; V241-A243 PolarHBondContact O-N 2.98Å; A243-F247 CarbonylContact O-C 3.44Å; A243-F247 WeakPolarHBondContact O-CA 3.27Å; A243-F247 WeakPolarHBondContact O-CB 3.24Å; A243-F247 PolarHBondContact O-N 3.28Å; A243-F247 VanDerWaalsContact O-N 3.15Å; A243-A248 PolarHBondContact O-N 3.12Å; A243-A248 VanDerWaalsContact O-N 3.13Å; A243-L249 CarbonylContact C-O 3.43Å; A243-L249 HydrophobicContact CB-CB 4.14Å; A243-L249 PolarHBondContact O-N 2.91Å; A243-L251 HydrophobicContact CB-CD1 3.37Å; A243-L251 HydrophobicContact CB-CG 3.76Å
244	Q	85.5	Confident	81.5	Confident	49 Å²	49	27.2 Å²	27.2	23%	0.229	17%	0.167	C	C	.	.	H	α-helix	trans	-68.7	-44	175.2	-177.8	61.9	56.9	0	0	112.1	A206 D240 V241 A248 L249	A206-Q244 HydrophobicContact CB-CG 4.41Å; D240-Q244 VanDerWaalsContact O-CB 3.28Å; D240-Q244 WeakPolarHBondContact O-CB 3.41Å; D240-Q244 PolarHBondContact O-N 3.4Å; V241-Q244 PolarHBondContact O-N 3.18Å; Q244-A248 WeakPolarHBondContact O-CA 3.24Å; Q244-A248 PolarHBondContact O-N 3.38Å; Q244-A248 VanDerWaalsContact O-N 3.11Å; Q244-L249 VanDerWaalsContact CA-O 3.26Å; Q244-L249 WeakPolarHBondContact CA-O 3.33Å; Q244-L249 PolarHBondContact N-O 3.11Å; Q244-L249 VanDerWaalsContact N-O 3.17Å
245	C	85	Confident	80.1	Confident	19 Å²	19	28.8 Å²	28.8	13%	0.128	18%	0.183	C	C	.	.	H	α-helix	trans	-77.9	-43.5	-174.1	-68.6	0	0	0	0	112.9	M203 V241 I242 F489	M203-C245 HydrophobicContact CB-CB 4.17Å; M203-C245 HydrophobicContact CE-CB 4.49Å; M203-C245 HydrophobicContact CG-CB 3.85Å; M203-C245 PolarHBondContact O-SG 3.45Å; M203-C245 VanDerWaalsContact O-SG 3.4Å; M203-C245 HydrophobicContact SD-CB 4.03Å; V241-C245 VanDerWaalsContact O-CB 3.28Å; V241-C245 WeakPolarHBondContact O-CB 3.04Å; V241-C245 PolarHBondContact O-N 2.94Å; V241-C245 PolarHBondContact O-SG 2.91Å; I242-C245 PolarHBondContact O-N 2.74Å; C245-F489 HydrophobicContact CB-CE2 3.95Å; C245-F489 HydrophobicContact CB-CZ 4.29Å
246	A	77.4	Confident	79	Confident	42 Å²	42	35 Å²	35	35%	0.347	21%	0.213	S	C	.	.	H	α-helix	trans	-85.9	-33.9	-176	0	0	0	0	0	112.7	I242	I242-A246 HydrophobicContact CD1-CB 3.98Å; I242-A246 HydrophobicContact CG1-CB 4.28Å; I242-A246 WeakPolarHBondContact O-CB 3.48Å; I242-A246 PolarHBondContact O-N 3.48Å
247	F	75	Confident	77.7	Confident	22 Å²	22	37.4 Å²	37.4	10%	0.096	23%	0.227	C	C	.	.	H	α-helix	trans	-121.9	-2.4	-171.6	-50.2	-58.4	0	0	0	113.4	A243 L249 L300 K307 A324 L328	A243-F247 CarbonylContact O-C 3.44Å; A243-F247 WeakPolarHBondContact O-CA 3.27Å; A243-F247 WeakPolarHBondContact O-CB 3.24Å; A243-F247 PolarHBondContact O-N 3.28Å; A243-F247 VanDerWaalsContact O-N 3.15Å; F247-L249 HydrophobicContact CB-CB 4.43Å; F247-L249 HydrophobicContact CB-CD1 3.44Å; F247-L249 VanDerWaalsContact CB-CD1 3.44Å; F247-L249 HydrophobicContact CB-CG 3.54Å; F247-L249 HydrophobicContact CD2-CD1 4.18Å; F247-L249 HydrophobicContact CG-CD1 4.11Å; F247-L249 PolarHBondContact O-N 3.38Å; F247-L300 HydrophobicContact CD1-CD2 4.11Å; F247-L300 HydrophobicContact CD2-CD2 4.14Å; F247-L300 HydrophobicContact CE1-CD2 3.99Å; F247-L300 HydrophobicContact CE2-CD2 4.03Å; F247-L300 HydrophobicContact CG-CD2 4.21Å; F247-L300 HydrophobicContact CZ-CD2 3.97Å; F247-K307 PolarHBondContact O-NZ 3.38Å; F247-A324 HydrophobicContact CE1-CB 3.42Å; F247-A324 VanDerWaalsContact CE1-CB 3.42Å; F247-A324 HydrophobicContact CZ-CB 3.73Å; F247-A324 WeakPolarHBondContact CZ-O 3.31Å; F247-L328 HydrophobicContact CE2-CB 4.15Å; F247-L328 HydrophobicContact CE2-CD1 3.97Å
248	A	74.7	Confident	76.5	Confident	56 Å²	56	37.2 Å²	37.2	46%	0.463	23%	0.226	S	C	.	.			trans	49	44.7	-171.8	0	0	0	0	0	111.9	A243 Q244 K307	A243-A248 PolarHBondContact O-N 3.12Å; A243-A248 VanDerWaalsContact O-N 3.13Å; Q244-A248 WeakPolarHBondContact O-CA 3.24Å; Q244-A248 PolarHBondContact O-N 3.38Å; Q244-A248 VanDerWaalsContact O-N 3.11Å; A248-K307 PolarHBondContact O-NZ 3.15Å
249	L	71.4	Confident	75.6	Confident	24 Å²	24	43.1 Å²	43.1	13%	0.126	25%	0.251	C	S	.	.			trans	-104.7	128.7	175.5	-60.2	168.9	0	0	0	109.3	A243 Q244 F247 L303	A243-L249 CarbonylContact C-O 3.43Å; A243-L249 HydrophobicContact CB-CB 4.14Å; A243-L249 PolarHBondContact O-N 2.91Å; Q244-L249 VanDerWaalsContact CA-O 3.26Å; Q244-L249 WeakPolarHBondContact CA-O 3.33Å; Q244-L249 PolarHBondContact N-O 3.11Å; Q244-L249 VanDerWaalsContact N-O 3.17Å; F247-L249 HydrophobicContact CB-CB 4.43Å; F247-L249 HydrophobicContact CB-CD1 3.44Å; F247-L249 VanDerWaalsContact CB-CD1 3.44Å; F247-L249 HydrophobicContact CB-CG 3.54Å; F247-L249 HydrophobicContact CD2-CD1 4.18Å; F247-L249 HydrophobicContact CG-CD1 4.11Å; F247-L249 PolarHBondContact O-N 3.38Å; L249-L303 HydrophobicContact CD1-CD1 3.51Å; L249-L303 HydrophobicContact CD2-CB 4.43Å; L249-L303 HydrophobicContact CD2-CD1 3.83Å; L249-L303 HydrophobicContact CD2-CD2 3.62Å; L249-L303 HydrophobicContact CD2-CG 4.15Å; L249-L303 HydrophobicContact CG-CD1 4.3Å
250	N	74.8	Confident	74.8	Confident	83 Å²	83	48.5 Å²	48.5	44%	0.444	27%	0.272	S	S	.	.			trans	-93.3	102.9	168	-176.6	9.7	0	0	0	109.3	K210 D252	K210-N250 PolarHBondContact NZ-ND2 3.39Å; K210-N250 PolarHBondContact NZ-OD1 3.44Å; N250-D252 VanDerWaalsContact C-N 3.32Å; N250-D252 PolarHBondContact ND2-OD1 3.3Å; N250-D252 PolarHBondContact ND2-OD2 3.41Å; N250-D252 VanDerWaalsContact ND2-OD2 3.12Å; N250-D252 VanDerWaalsContact OD1-CG 3.31Å; N250-D252 PolarHBondContact OD1-N 3.14Å; N250-D252 PolarHBondContact OD1-OD1 2.76Å
251	L	70.8	Confident	74	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.094	27%	0.271	C	S	.	.			trans	-84.2	-7.4	176.5	-69	-179	0	0	0	113.4	V239 D240 A243 G253 V257 S258 F261	V239-L251 HydrophobicContact CG1-CD1 3.51Å; D240-L251 VanDerWaalsContact OD1-CB 3.28Å; D240-L251 WeakPolarHBondContact OD1-CB 3.38Å; A243-L251 HydrophobicContact CB-CD1 3.37Å; A243-L251 HydrophobicContact CB-CG 3.76Å; L251-G253 PolarHBondContact O-N 2.96Å; L251-V257 HydrophobicContact CD2-CB 4.44Å; L251-V257 HydrophobicContact CD2-CG1 3.74Å; L251-S258 WeakPolarHBondContact O-CB 3.28Å; L251-F261 HydrophobicContact CD1-CD1 3.93Å; L251-F261 HydrophobicContact CD1-CE1 3.97Å; L251-F261 HydrophobicContact CD1-CG 4.43Å
252	D	70.5	Confident	73.3	Confident	73 Å²	73	48.9 Å²	48.9	39%	0.39	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	12	-179.9	-87.7	-39.5	0	0	0	117.1	K213 N250 C254	K213-D252 PolarHBondContact NZ-O 3.39Å; K213-D252 IonicContact NZ-OD1 3.21Å; K213-D252 PolarHBondContact NZ-OD1 3.21Å; N250-D252 VanDerWaalsContact C-N 3.32Å; N250-D252 PolarHBondContact ND2-OD1 3.3Å; N250-D252 PolarHBondContact ND2-OD2 3.41Å; N250-D252 VanDerWaalsContact ND2-OD2 3.12Å; N250-D252 VanDerWaalsContact OD1-CG 3.31Å; N250-D252 PolarHBondContact OD1-N 3.14Å; N250-D252 PolarHBondContact OD1-OD1 2.76Å; D252-C254 PolarHBondContact O-N 3.41Å
253	G	59.5	Low	72.8	Confident	10 Å²	10	49.3 Å²	49.3	10%	0.103	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-28.3	173.1	0	0	0	0	0	116.2	V236 D240 L251	V236-G253 WeakPolarHBondContact CG1-O 3.23Å; D240-G253 WeakPolarHBondContact OD1-CA 3.29Å; D240-G253 PolarHBondContact OD1-N 3.44Å; D240-G253 VanDerWaalsContact OD1-N 3.16Å; D240-G253 WeakPolarHBondContact OD2-CA 3.21Å; D240-G253 PolarHBondContact OD2-N 3.05Å; L251-G253 PolarHBondContact O-N 2.96Å
254	C	58.1	Low	72.4	Confident	98 Å²	98	49.8 Å²	49.8	66%	0.662	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	-13.6	-171.5	-60.5	0	0	0	0	113.1	D252 K259	D252-C254 PolarHBondContact O-N 3.41Å; C254-K259 WeakPolarHBondContact O-CE 3.34Å
255	G	66.4	Low	71.8	Confident	32 Å²	32	47.5 Å²	47.5	33%	0.33	27%	0.273	S	S	.	.	S	Bend	trans	-69.7	156.4	-178.8	0	0	0	0	0	112.8	V257 S258 K259	G255-V257 PolarHBondContact O-N 3.25Å; G255-S258 WeakPolarHBondContact O-CB 3.48Å; G255-S258 PolarHBondContact O-N 2.83Å; G255-K259 PolarHBondContact O-N 3.32Å
256	E	68.8	Low	71.4	Confident	144 Å²	144	50.6 Å²	50.6	67%	0.673	28%	0.282	S	S	*	.	H	α-helix	trans	-57.1	-36.1	179.7	-167.5	58.9	-157.8	0	0	112.1	K259 R260	E256-K259 PolarHBondContact O-N 3.44Å; E256-R260 VanDerWaalsContact O-CB 3.27Å; E256-R260 WeakPolarHBondContact O-CB 3.28Å; E256-R260 PolarHBondContact O-N 3.35Å
257	V	65.3	Low	71.2	Confident	90 Å²	90	54.6 Å²	54.6	55%	0.545	29%	0.288	S	S	.	.	H	α-helix	trans	-61.4	-47	174.2	-175.4	0	0	0	0	110.9	L251 G255 K259 R260 F261	L251-V257 HydrophobicContact CD2-CB 4.44Å; L251-V257 HydrophobicContact CD2-CG1 3.74Å; G255-V257 PolarHBondContact O-N 3.25Å; V257-K259 PolarHBondContact O-N 3.44Å; V257-R260 PolarHBondContact O-N 3.44Å; V257-F261 WeakPolarHBondContact O-CB 3.34Å; V257-F261 PolarHBondContact O-N 3.18Å
258	S	67.9	Low	71	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.2	-43.7	178.1	-170.2	0	0	0	0	111.7	L251 G255 F261 L262	L251-S258 WeakPolarHBondContact O-CB 3.28Å; G255-S258 WeakPolarHBondContact O-CB 3.48Å; G255-S258 PolarHBondContact O-N 2.83Å; S258-F261 PolarHBondContact O-N 3.09Å; S258-L262 VanDerWaalsContact O-CB 3.26Å; S258-L262 WeakPolarHBondContact O-CB 3.42Å; S258-L262 WeakPolarHBondContact O-CD1 3.26Å; S258-L262 VanDerWaalsContact O-CG 3.29Å; S258-L262 WeakPolarHBondContact O-CG 3.15Å; S258-L262 PolarHBondContact O-N 3.21Å
259	K	74.5	Confident	70.6	Confident	124 Å²	124	52.1 Å²	52.1	54%	0.539	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-46.6	176.5	-70.8	179.2	-176	172	0	112.2	C254 G255 E256 V257 F261 G263	C254-K259 WeakPolarHBondContact O-CE 3.34Å; G255-K259 PolarHBondContact O-N 3.32Å; E256-K259 PolarHBondContact O-N 3.44Å; V257-K259 PolarHBondContact O-N 3.44Å; K259-F261 VanDerWaalsContact C-N 3.31Å; K259-F261 PolarHBondContact O-N 3.36Å; K259-G263 PolarHBondContact O-N 2.96Å
260	R	73.2	Confident	70.4	Confident	113 Å²	113	54.8 Å²	54.8	43%	0.426	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-45.5	176.4	-173.7	-174.5	-167.2	-158.9	10.7	110.8	E256 V257 G263 N264 Q295 D299	E256-R260 VanDerWaalsContact O-CB 3.27Å; E256-R260 WeakPolarHBondContact O-CB 3.28Å; E256-R260 PolarHBondContact O-N 3.35Å; V257-R260 PolarHBondContact O-N 3.44Å; R260-G263 PolarHBondContact O-N 2.9Å; R260-N264 PolarHBondContact O-N 3.11Å; R260-Q295 VanDerWaalsContact CZ-CG 3.46Å; R260-Q295 VanDerWaalsContact NH2-CG 3.34Å; R260-D299 IonicContact NH1-OD1 2.88Å; R260-D299 IonicContact NH1-OD2 3.39Å
261	F	72	Confident	69.6	Low	6 Å²	6	54 Å²	54	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-45.4	-177.8	-163.1	-103.5	0	0	0	112.6	V239 L251 V257 S258 K259 G263 N264 C265 L296 L328	V239-F261 HydrophobicContact CG1-CD1 3.57Å; V239-F261 HydrophobicContact CG1-CE1 3.9Å; L251-F261 HydrophobicContact CD1-CD1 3.93Å; L251-F261 HydrophobicContact CD1-CE1 3.97Å; L251-F261 HydrophobicContact CD1-CG 4.43Å; V257-F261 WeakPolarHBondContact O-CB 3.34Å; V257-F261 PolarHBondContact O-N 3.18Å; S258-F261 PolarHBondContact O-N 3.09Å; K259-F261 VanDerWaalsContact C-N 3.31Å; K259-F261 PolarHBondContact O-N 3.36Å; F261-G263 VanDerWaalsContact C-N 3.33Å; F261-G263 PolarHBondContact O-N 2.99Å; F261-N264 PolarHBondContact O-N 2.94Å; F261-C265 PolarHBondContact O-N 3.3Å; F261-C265 PolarHBondContact O-SG 3.32Å; F261-L296 HydrophobicContact CD2-CD2 3.23Å; F261-L296 HydrophobicContact CE2-CD2 3.33Å; F261-L296 HydrophobicContact CG-CD2 4Å; F261-L296 HydrophobicContact CZ-CD2 4.22Å; F261-L328 HydrophobicContact CD1-CD2 4.32Å; F261-L328 HydrophobicContact CE1-CD1 3.26Å; F261-L328 HydrophobicContact CE1-CD2 3.34Å; F261-L328 HydrophobicContact CE1-CG 3.69Å; F261-L328 HydrophobicContact CE2-CD2 3.71Å; F261-L328 HydrophobicContact CZ-CD1 3.42Å; F261-L328 VanDerWaalsContact CZ-CD1 3.42Å; F261-L328 HydrophobicContact CZ-CD2 2.99Å; F261-L328 HydrophobicContact CZ-CG 3.7Å
262	L	75.7	Confident	68.9	Low	11 Å²	11	54.9 Å²	54.9	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-44.2	170.7	-79.3	163.6	0	0	0	111.5	Q235 V236 V239 S258 N264 C265 R266 Y332	Q235-L262 WeakPolarHBondContact O-CD2 3.03Å; V236-L262 HydrophobicContact CB-CD1 4.41Å; V236-L262 HydrophobicContact CG2-CD1 3.87Å; V239-L262 HydrophobicContact CB-CD2 3.88Å; V239-L262 HydrophobicContact CB-CG 4.3Å; V239-L262 HydrophobicContact CG1-CD2 4.44Å; V239-L262 HydrophobicContact CG1-CG 4.35Å; V239-L262 HydrophobicContact CG2-CD2 3.29Å; V239-L262 HydrophobicContact CG2-CG 3.99Å; S258-L262 VanDerWaalsContact O-CB 3.26Å; S258-L262 WeakPolarHBondContact O-CB 3.42Å; S258-L262 WeakPolarHBondContact O-CD1 3.26Å; S258-L262 VanDerWaalsContact O-CG 3.29Å; S258-L262 WeakPolarHBondContact O-CG 3.15Å; S258-L262 PolarHBondContact O-N 3.21Å; L262-N264 PolarHBondContact O-N 2.87Å; L262-C265 PolarHBondContact O-N 3.17Å; L262-R266 WeakPolarHBondContact O-CB 3.45Å; L262-R266 WeakPolarHBondContact O-CG 3.31Å; L262-R266 PolarHBondContact O-N 2.73Å; L262-Y332 HydrophobicContact CD2-CD2 4.3Å; L262-Y332 HydrophobicContact CD2-CE2 3.54Å
263	G	78.1	Confident	68.1	Low	22 Å²	22	55.3 Å²	55.3	23%	0.227	28%	0.279	C	S	.	.	H	α-helix	trans	-58.6	-45.8	176.5	0	0	0	0	0	112.2	K259 R260 F261 R267	K259-G263 PolarHBondContact O-N 2.96Å; R260-G263 PolarHBondContact O-N 2.9Å; F261-G263 VanDerWaalsContact C-N 3.33Å; F261-G263 PolarHBondContact O-N 2.99Å; G263-R267 WeakPolarHBondContact O-CG 3.49Å; G263-R267 PolarHBondContact O-N 2.66Å
264	N	74.9	Confident	67.7	Low	10 Å²	10	56.6 Å²	56.6	5%	0.053	29%	0.286	C	S	.	.	H	α-helix	trans	-66.2	-44	176.5	-69	-18.1	0	0	0	111.8	R260 F261 L262 R266 R267 L268 A292 L296	R260-N264 PolarHBondContact O-N 3.11Å; F261-N264 PolarHBondContact O-N 2.94Å; L262-N264 PolarHBondContact O-N 2.87Å; N264-R266 PolarHBondContact O-N 3.14Å; N264-R267 PolarHBondContact O-N 2.79Å; N264-R267 PolarHBondContact OD1-NH1 2.9Å; N264-L268 WeakPolarHBondContact O-CG 3.28Å; N264-L268 PolarHBondContact O-N 2.87Å; N264-L268 VanDerWaalsContact O-N 3.09Å; N264-A292 HydrophobicContact CB-CB 4.3Å; N264-L296 HydrophobicContact CB-CD1 3.7Å; N264-L296 HydrophobicContact CB-CD2 4.19Å; N264-L296 HydrophobicContact CB-CG 3.83Å
265	C	74.7	Confident	67.2	Low	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-43.6	176.9	-68.3	0	0	0	0	112.2	F261 L262 L268 F269 L329 Y332	F261-C265 PolarHBondContact O-N 3.3Å; F261-C265 PolarHBondContact O-SG 3.32Å; L262-C265 PolarHBondContact O-N 3.17Å; C265-L268 PolarHBondContact O-N 3.34Å; C265-F269 WeakPolarHBondContact O-CD2 3.39Å; C265-F269 PolarHBondContact O-N 2.82Å; C265-L329 HydrophobicContact CB-CD2 4.16Å; C265-Y332 HydrophobicContact CB-CD1 3.64Å; C265-Y332 HydrophobicContact CB-CE1 3.67Å; C265-Y332 HydrophobicContact CB-CG 4.41Å
266	R	76.1	Confident	66.4	Low	84 Å²	84	58.6 Å²	58.6	32%	0.317	28%	0.279	S	S	.	.	H	α-helix	trans	-59.3	-47.9	176.7	-75.8	177.1	176.5	166.5	0.8	112.1	L262 N264 L268 F269 D270 Y332	L262-R266 WeakPolarHBondContact O-CB 3.45Å; L262-R266 WeakPolarHBondContact O-CG 3.31Å; L262-R266 PolarHBondContact O-N 2.73Å; N264-R266 PolarHBondContact O-N 3.14Å; R266-L268 VanDerWaalsContact C-N 3.33Å; R266-L268 PolarHBondContact O-N 2.86Å; R266-F269 PolarHBondContact O-N 3.37Å; R266-D270 PolarHBondContact O-N 2.79Å; R266-Y332 WeakPolarHBondContact CG-OH 3.36Å; R266-Y332 PolarHBondContact NE-OH 3.4Å
267	R	72.5	Confident	65.3	Low	126 Å²	126	52.2 Å²	52.2	48%	0.475	25%	0.25	S	C	.	.	H	α-helix	trans	-59.7	-43	178.6	-70.5	179.2	-162.2	149.9	1.5	112	G263 N264 F269 D270 M271	G263-R267 WeakPolarHBondContact O-CG 3.49Å; G263-R267 PolarHBondContact O-N 2.66Å; N264-R267 PolarHBondContact O-N 2.79Å; N264-R267 PolarHBondContact OD1-NH1 2.9Å; R267-F269 VanDerWaalsContact C-N 3.34Å; R267-F269 PolarHBondContact O-N 2.98Å; R267-D270 PolarHBondContact O-N 2.84Å; R267-M271 WeakPolarHBondContact O-CG 3.16Å; R267-M271 PolarHBondContact O-N 3.37Å
268	L	70.3	Confident	64.3	Low	10 Å²	10	54 Å²	54	5%	0.052	25%	0.253	C	S	.	.	H	α-helix	trans	-61.4	-41.8	178.7	-69.2	175.3	0	0	0	112	N264 C265 R266 F289 A292 E293 L296 L329	N264-L268 WeakPolarHBondContact O-CG 3.28Å; N264-L268 PolarHBondContact O-N 2.87Å; N264-L268 VanDerWaalsContact O-N 3.09Å; C265-L268 PolarHBondContact O-N 3.34Å; R266-L268 VanDerWaalsContact C-N 3.33Å; R266-L268 PolarHBondContact O-N 2.86Å; L268-F289 HydrophobicContact CB-CE2 4.15Å; L268-F289 HydrophobicContact CD2-CD1 4.23Å; L268-F289 HydrophobicContact CD2-CD2 3.57Å; L268-F289 HydrophobicContact CD2-CE1 3.89Å; L268-F289 HydrophobicContact CD2-CE2 3.2Å; L268-F289 HydrophobicContact CD2-CG 4.06Å; L268-F289 HydrophobicContact CD2-CZ 3.35Å; L268-F289 HydrophobicContact CG-CE2 4.25Å; L268-A292 HydrophobicContact CD2-CB 4.37Å; L268-A292 HydrophobicContact CG-CB 4.49Å; L268-E293 HydrophobicContact CD2-CB 4.1Å; L268-L296 HydrophobicContact CD1-CD1 3.42Å; L268-L296 VanDerWaalsContact CD1-CD1 3.42Å; L268-L329 HydrophobicContact CB-CD2 4.29Å; L268-L329 HydrophobicContact CD1-CD1 3.96Å; L268-L329 HydrophobicContact CD1-CD2 3.78Å; L268-L329 HydrophobicContact CD1-CG 4.45Å
269	F	68.1	Low	63.1	Low	17 Å²	17	60.2 Å²	60.2	8%	0.075	29%	0.286	C	S	.	.	H	α-helix	trans	-73.6	-31.3	178.3	-88.7	-82.8	0	0	0	113.9	C265 R266 R267 M271 L272 L329 Y332 E333 N522 T525	C265-F269 WeakPolarHBondContact O-CD2 3.39Å; C265-F269 PolarHBondContact O-N 2.82Å; R266-F269 PolarHBondContact O-N 3.37Å; R267-F269 VanDerWaalsContact C-N 3.34Å; R267-F269 PolarHBondContact O-N 2.98Å; F269-M271 PolarHBondContact O-N 3.37Å; F269-L272 HydrophobicContact CD1-CD1 3.61Å; F269-L272 HydrophobicContact CE1-CD1 4.01Å; F269-L272 HydrophobicContact CG-CD1 4.3Å; F269-L329 HydrophobicContact CD2-CD2 4.25Å; F269-L329 HydrophobicContact CE2-CB 3.73Å; F269-L329 HydrophobicContact CE2-CD2 3.89Å; F269-L329 HydrophobicContact CE2-CG 4.38Å; F269-L329 VanDerWaalsContact CE2-O 3.23Å; F269-L329 WeakPolarHBondContact CE2-O 3.14Å; F269-L329 HydrophobicContact CZ-CB 4.1Å; F269-L329 WeakPolarHBondContact CZ-O 3.46Å; F269-Y332 HydrophobicContact CD2-CD1 4.38Å; F269-Y332 HydrophobicContact CE2-CD1 4.31Å; F269-E333 HydrophobicContact CD1-CB 4Å; F269-E333 HydrophobicContact CD1-CG 3.87Å; F269-E333 HydrophobicContact CD2-CB 3.82Å; F269-E333 HydrophobicContact CD2-CG 4.27Å; F269-E333 HydrophobicContact CE1-CB 3.81Å; F269-E333 HydrophobicContact CE1-CG 4.09Å; F269-E333 HydrophobicContact CE2-CB 3.61Å; F269-E333 HydrophobicContact CE2-CG 4.46Å; F269-E333 HydrophobicContact CG-CB 4.01Å; F269-E333 HydrophobicContact CG-CG 3.97Å; F269-E333 HydrophobicContact CZ-CB 3.61Å; F269-E333 HydrophobicContact CZ-CG 4.38Å; F269-N522 PolarHBondContact O-ND2 3.27Å; F269-T525 HydrophobicContact CD1-CG2 4.32Å; F269-T525 HydrophobicContact CE1-CG2 4.11Å
270	D	65.7	Low	61.8	Low	79 Å²	79	57.1 Å²	57.1	42%	0.422	28%	0.275	S	S	.	.	H	α-helix	trans	-68.1	-20.3	177.6	-77.1	-33.4	0	0	0	112.9	R266 R267 K527	R266-D270 PolarHBondContact O-N 2.79Å; R267-D270 PolarHBondContact O-N 2.84Å; D270-K527 IonicContact OD1-NZ 3.9Å; D270-K527 PolarHBondContact OD1-NZ 3.2Å
271	M	59.1	Low	60.6	Low	66 Å²	66	56.1 Å²	56.1	33%	0.325	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	6.7	-174.2	-66.3	-172	-179	0	0	115.3	R267 F269 F273 E288 F289	R267-M271 WeakPolarHBondContact O-CG 3.16Å; R267-M271 PolarHBondContact O-N 3.37Å; F269-M271 PolarHBondContact O-N 3.37Å; M271-F273 PolarHBondContact O-N 2.95Å; M271-E288 HydrophobicContact CE-CB 4.02Å; M271-F289 HydrophobicContact CB-CD2 3.92Å; M271-F289 HydrophobicContact SD-CB 3.73Å; M271-F289 HydrophobicContact SD-CD2 4.08Å; M271-F289 HydrophobicContact SD-CG 4.42Å
272	L	56.3	Low	59.2	Low	38 Å²	38	64 Å²	64	20%	0.199	31%	0.313	C	S	.	.			trans	-75.8	52.2	-175.5	-70.4	169.5	0	0	0	114.8	I166 F269 P274 N522	I166-L272 HydrophobicContact CD1-CD2 4.23Å; F269-L272 HydrophobicContact CD1-CD1 3.61Å; F269-L272 HydrophobicContact CE1-CD1 4.01Å; F269-L272 HydrophobicContact CG-CD1 4.3Å; L272-P274 VanDerWaalsContact O-CD 3.31Å; L272-P274 WeakPolarHBondContact O-CD 3.21Å; L272-N522 CarbonylContact C-O 3.59Å; L272-N522 HydrophobicContact CB-CB 4.46Å
273	F	53.2	Low	57.5	Low	82 Å²	82	68.4 Å²	68.4	36%	0.36	34%	0.343	S	S	.	.			trans	-106.2	96.4	163.5	-84.9	-78	0	0	0	110.7	W110 M271 E275 N522	W110-F273 AromaticContact CH2-CE1 3.83Å; W110-F273 HydrophobicContact CH2-CE1 3.83Å; W110-F273 AromaticContact CH2-CZ 3.49Å; W110-F273 HydrophobicContact CH2-CZ 3.49Å; W110-F273 VanDerWaalsContact CH2-CZ 3.49Å; W110-F273 HydrophobicContact CZ3-CE1 4.15Å; W110-F273 AromaticContact CZ3-CZ 3.59Å; W110-F273 HydrophobicContact CZ3-CZ 3.59Å; M271-F273 PolarHBondContact O-N 2.95Å; F273-E275 PolarHBondContact O-N 3.16Å; F273-N522 WeakPolarHBondContact CD1-O 3.17Å; F273-N522 VanDerWaalsContact CD2-O 3.24Å; F273-N522 WeakPolarHBondContact CD2-O 3.38Å; F273-N522 VanDerWaalsContact CE1-C 3.49Å; F273-N522 VanDerWaalsContact CE1-O 3.31Å; F273-N522 WeakPolarHBondContact CE1-O 3.46Å; F273-N522 VanDerWaalsContact CE2-CA 3.42Å; F273-N522 HydrophobicContact CE2-CB 4.23Å; F273-N522 VanDerWaalsContact CE2-O 3.24Å; F273-N522 WeakPolarHBondContact CE2-O 3.31Å; F273-N522 VanDerWaalsContact CG-O 3.29Å; F273-N522 WeakPolarHBondContact CG-O 3.04Å; F273-N522 VanDerWaalsContact CZ-O 3.27Å; F273-N522 WeakPolarHBondContact CZ-O 3.36Å
274	P	49.9	Very low	56.2	Low	37 Å²	37	70.4 Å²	70.4	24%	0.24	35%	0.351	C	S	.	.			trans	-68.8	-23.1	-172.8	8.9	-10.1	0	0	0	115.5	L272 N277	L272-P274 VanDerWaalsContact O-CD 3.31Å; L272-P274 WeakPolarHBondContact O-CD 3.21Å; P274-N277 WeakPolarHBondContact O-CB 3.34Å
275	E	48.7	Very low	54.9	Low	89 Å²	89	73.7 Å²	73.7	42%	0.416	37%	0.373	S	S	.	.	S	Bend	trans	-98.9	-17.1	-167.2	-61.2	82.2	-174.7	0	0	115.6	V100 L133 F273 N277	V100-E275 HydrophobicContact CG2-CB 4.34Å; L133-E275 HydrophobicContact CB-CG 4.24Å; F273-E275 PolarHBondContact O-N 3.16Å; E275-N277 PolarHBondContact O-N 2.89Å
276	L	49.9	Very low	53.8	Low	82 Å²	82	76.5 Å²	76.5	43%	0.429	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.2	174.8	-147	68.4	0	0	0	111.3	M278 L280	L276-M278 PolarHBondContact O-N 3.08Å; L276-L280 HydrophobicContact CB-CD1 3.6Å; L276-L280 HydrophobicContact CB-CG 4.28Å; L276-L280 HydrophobicContact CD2-CD1 3.36Å; L276-L280 HydrophobicContact CD2-CG 4.19Å; L276-L280 HydrophobicContact CG-CD1 3.41Å; L276-L280 VanDerWaalsContact CG-CD1 3.41Å; L276-L280 HydrophobicContact CG-CG 3.88Å; L276-L280 WeakPolarHBondContact O-CB 3.21Å; L276-L280 WeakPolarHBondContact O-CG 3.19Å; L276-L280 PolarHBondContact O-N 3.48Å; L276-L280 VanDerWaalsContact O-N 3.13Å
277	N	45.9	Very low	52.6	Low	11 Å²	11	75.2 Å²	75.2	6%	0.059	39%	0.392	C	S	.	.	H	α-helix	trans	-65.4	-22.5	-169.6	-152.9	12.6	0	0	0	115.4	A165 P274 E275 K281 F286	A165-N277 WeakPolarHBondContact CB-ND2 3.29Å; P274-N277 WeakPolarHBondContact O-CB 3.34Å; E275-N277 PolarHBondContact O-N 2.89Å; N277-K281 VanDerWaalsContact ND2-CE 3.31Å; N277-K281 WeakPolarHBondContact ND2-CE 3.3Å; N277-K281 WeakPolarHBondContact O-CB 3.3Å; N277-K281 WeakPolarHBondContact O-CD 3.47Å; N277-K281 WeakPolarHBondContact O-CG 3.35Å; N277-K281 PolarHBondContact O-N 3.4Å; N277-K281 WeakPolarHBondContact OD1-CE 3.36Å; N277-K281 VanDerWaalsContact OD1-CG 3.25Å; N277-K281 WeakPolarHBondContact OD1-CG 3.47Å; N277-F286 WeakPolarHBondContact OD1-CE2 3.47Å
278	M	42.9	Very low	51.7	Low	126 Å²	126	74.1 Å²	74.1	62%	0.621	39%	0.393	S	S	*	.	H	α-helix	trans	-77.1	-41.8	-177.2	-170.9	178.9	158.4	0	0	112.8	L276	L276-M278 PolarHBondContact O-N 3.08Å
279	L	42.5	Very low	50.8	Low	132 Å²	132	74.2 Å²	74.2	69%	0.691	39%	0.393	S	S	*	.	H	α-helix	trans	-83.7	-34.7	175.6	-139.2	100	0	0	0	110.8	M282	L279-M282 PolarHBondContact O-N 2.96Å
280	L	48.1	Very low	50.5	Low	58 Å²	58	75.3 Å²	75.3	30%	0.304	40%	0.402	S	S	.	.	H	α-helix	trans	-77.2	-23.5	179.7	-64.4	-175.5	0	0	0	113.7	L276 M282 C283 V284	L276-L280 HydrophobicContact CB-CD1 3.6Å; L276-L280 HydrophobicContact CB-CG 4.28Å; L276-L280 HydrophobicContact CD2-CD1 3.36Å; L276-L280 HydrophobicContact CD2-CG 4.19Å; L276-L280 HydrophobicContact CG-CD1 3.41Å; L276-L280 VanDerWaalsContact CG-CD1 3.41Å; L276-L280 HydrophobicContact CG-CG 3.88Å; L276-L280 WeakPolarHBondContact O-CB 3.21Å; L276-L280 WeakPolarHBondContact O-CG 3.19Å; L276-L280 PolarHBondContact O-N 3.48Å; L276-L280 VanDerWaalsContact O-N 3.13Å; L280-M282 PolarHBondContact O-N 3.17Å; L280-M282 VanDerWaalsContact O-N 3.1Å; L280-C283 PolarHBondContact O-N 3.23Å; L280-V284 HydrophobicContact CB-CB 3.9Å; L280-V284 HydrophobicContact CB-CG2 3.45Å; L280-V284 VanDerWaalsContact CB-CG2 3.45Å; L280-V284 HydrophobicContact CD1-CG2 3.84Å; L280-V284 HydrophobicContact CD2-CG2 3.27Å; L280-V284 HydrophobicContact CG-CG2 3.65Å; L280-V284 WeakPolarHBondContact O-CA 3.44Å; L280-V284 VanDerWaalsContact O-CB 3.31Å; L280-V284 WeakPolarHBondContact O-CB 3.37Å; L280-V284 PolarHBondContact O-N 3.49Å
281	K	49	Very low	50.6	Low	93 Å²	93	78.3 Å²	78.3	40%	0.404	41%	0.412	S	S	.	.	H	α-helix	trans	-56.5	-27	171	-93.1	167.5	175	-179.3	0	112.4	E168 N277 F286	E168-K281 IonicContact OE2-NZ 3.82Å; E168-K281 PolarHBondContact OE2-NZ 3.42Å; E168-K281 VanDerWaalsContact OE2-NZ 3.15Å; N277-K281 VanDerWaalsContact ND2-CE 3.31Å; N277-K281 WeakPolarHBondContact ND2-CE 3.3Å; N277-K281 WeakPolarHBondContact O-CB 3.3Å; N277-K281 WeakPolarHBondContact O-CD 3.47Å; N277-K281 WeakPolarHBondContact O-CG 3.35Å; N277-K281 PolarHBondContact O-N 3.4Å; N277-K281 WeakPolarHBondContact OD1-CE 3.36Å; N277-K281 VanDerWaalsContact OD1-CG 3.25Å; N277-K281 WeakPolarHBondContact OD1-CG 3.47Å; K281-F286 HydrophobicContact CG-CD2 4.31Å
282	M	40.8	Very low	50.8	Low	172 Å²	172	75.2 Å²	75.2	85%	0.847	40%	0.397	S	S	*	.	H	α-helix	trans	-91	-20.3	176	-63.4	-134.4	-59.7	0	0	114.2	L279 L280	L279-M282 PolarHBondContact O-N 2.96Å; L280-M282 PolarHBondContact O-N 3.17Å; L280-M282 VanDerWaalsContact O-N 3.1Å
283	C	41.7	Very low	51.2	Low	102 Å²	102	74.5 Å²	74.5	69%	0.689	39%	0.392	S	S	*	.	H	α-helix	trans	-124.9	-12.3	-168.6	-60.8	0	0	0	0	115.2	L280	L280-C283 PolarHBondContact O-N 3.23Å
284	V	49	Very low	52	Low	64 Å²	64	75.2 Å²	75.2	39%	0.388	40%	0.397	S	S	.	.	S	Bend	trans	-110.6	143.4	-179	176.7	0	0	0	0	108.7	L280 F286	L280-V284 HydrophobicContact CB-CB 3.9Å; L280-V284 HydrophobicContact CB-CG2 3.45Å; L280-V284 VanDerWaalsContact CB-CG2 3.45Å; L280-V284 HydrophobicContact CD1-CG2 3.84Å; L280-V284 HydrophobicContact CD2-CG2 3.27Å; L280-V284 HydrophobicContact CG-CG2 3.65Å; L280-V284 WeakPolarHBondContact O-CA 3.44Å; L280-V284 VanDerWaalsContact O-CB 3.31Å; L280-V284 WeakPolarHBondContact O-CB 3.37Å; L280-V284 PolarHBondContact O-N 3.49Å; V284-F286 PolarHBondContact O-N 3.38Å
285	P	47.7	Very low	52.9	Low	79 Å²	79	75.5 Å²	75.5	51%	0.513	40%	0.395	S	S	.	.			trans	-67	70.5	176.3	28.7	-36.9	0	0	0	111.7	A287 E288	P285-A287 PolarHBondContact O-N 3.45Å; P285-A287 VanDerWaalsContact O-N 3.11Å; P285-E288 HydrophobicContact CB-CG 4.4Å; P285-E288 PolarHBondContact O-N 3.14Å
286	F	52.3	Low	53.8	Low	59 Å²	59	71.3 Å²	71.3	26%	0.259	38%	0.375	S	S	.	.	H	α-helix	trans	-57.6	-20.2	165.2	-142	-93.3	0	0	0	110.9	I166 N277 K281 V284 E288 F289 S290	I166-F286 HydrophobicContact CG1-CZ 4.29Å; N277-F286 WeakPolarHBondContact OD1-CE2 3.47Å; K281-F286 HydrophobicContact CG-CD2 4.31Å; V284-F286 PolarHBondContact O-N 3.38Å; F286-E288 PolarHBondContact O-N 2.91Å; F286-F289 PolarHBondContact O-N 3.49Å; F286-S290 WeakPolarHBondContact O-CB 3.37Å; F286-S290 PolarHBondContact O-N 2.96Å
287	A	52	Low	54.8	Low	57 Å²	57	68.5 Å²	68.5	47%	0.471	36%	0.362	S	S	.	.	H	α-helix	trans	-54.4	-33.5	169	0	0	0	0	0	113.3	P285 K291	P285-A287 PolarHBondContact O-N 3.45Å; P285-A287 VanDerWaalsContact O-N 3.11Å; A287-K291 VanDerWaalsContact O-CB 3.32Å; A287-K291 WeakPolarHBondContact O-CB 3.19Å; A287-K291 WeakPolarHBondContact O-CD 3.36Å; A287-K291 WeakPolarHBondContact O-CG 3.18Å; A287-K291 PolarHBondContact O-N 3.39Å
288	E	52.5	Low	56	Low	104 Å²	104	73.3 Å²	73.3	49%	0.486	38%	0.384	S	S	.	.	H	α-helix	trans	-75	-41.7	178.8	-71.6	-161.5	168.9	0	0	112.8	M271 P285 F286 K291 A292	M271-E288 HydrophobicContact CE-CB 4.02Å; P285-E288 HydrophobicContact CB-CG 4.4Å; P285-E288 PolarHBondContact O-N 3.14Å; F286-E288 PolarHBondContact O-N 2.91Å; E288-K291 PolarHBondContact O-N 3.16Å; E288-A292 WeakPolarHBondContact O-CB 3.16Å; E288-A292 PolarHBondContact O-N 3.09Å
289	F	52.5	Low	57.1	Low	12 Å²	12	68.8 Å²	68.8	5%	0.053	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-52	173	-173.3	-86.4	0	0	0	109.9	I166 L268 M271 F286 K291 A292 E293	I166-F289 HydrophobicContact CB-CZ 4.46Å; I166-F289 HydrophobicContact CG2-CD1 3.86Å; I166-F289 HydrophobicContact CG2-CD2 4.21Å; I166-F289 HydrophobicContact CG2-CE1 3.13Å; I166-F289 HydrophobicContact CG2-CE2 3.52Å; I166-F289 HydrophobicContact CG2-CG 4.37Å; I166-F289 HydrophobicContact CG2-CZ 2.95Å; L268-F289 HydrophobicContact CB-CE2 4.15Å; L268-F289 HydrophobicContact CD2-CD1 4.23Å; L268-F289 HydrophobicContact CD2-CD2 3.57Å; L268-F289 HydrophobicContact CD2-CE1 3.89Å; L268-F289 HydrophobicContact CD2-CE2 3.2Å; L268-F289 HydrophobicContact CD2-CG 4.06Å; L268-F289 HydrophobicContact CD2-CZ 3.35Å; L268-F289 HydrophobicContact CG-CE2 4.25Å; M271-F289 HydrophobicContact CB-CD2 3.92Å; M271-F289 HydrophobicContact SD-CB 3.73Å; M271-F289 HydrophobicContact SD-CD2 4.08Å; M271-F289 HydrophobicContact SD-CG 4.42Å; F286-F289 PolarHBondContact O-N 3.49Å; F289-K291 VanDerWaalsContact C-N 3.29Å; F289-K291 PolarHBondContact O-N 2.84Å; F289-A292 PolarHBondContact O-N 3.11Å; F289-E293 HydrophobicContact CD1-CB 4.48Å; F289-E293 HydrophobicContact CE1-CB 4.28Å; F289-E293 WeakPolarHBondContact CE1-OE2 3.41Å; F289-E293 VanDerWaalsContact O-CB 3.25Å; F289-E293 WeakPolarHBondContact O-CB 3.2Å; F289-E293 PolarHBondContact O-N 3.36Å
290	S	62	Low	58.4	Low	39 Å²	39	62.6 Å²	62.6	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-38.6	179	-179.5	0	0	0	0	112	F286 Q294	F286-S290 WeakPolarHBondContact O-CB 3.37Å; F286-S290 PolarHBondContact O-N 2.96Å; S290-Q294 WeakPolarHBondContact O-CB 3.46Å; S290-Q294 WeakPolarHBondContact O-CG 3.31Å; S290-Q294 PolarHBondContact O-N 3.03Å; S290-Q294 PolarHBondContact OG-NE2 3.49Å
291	K	66.8	Low	59.5	Low	142 Å²	142	63.6 Å²	63.6	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-68.3	-45.7	176.3	-78.7	171.9	-176.5	-177.2	0	112.6	A287 E288 F289 Q294 Q295	A287-K291 VanDerWaalsContact O-CB 3.32Å; A287-K291 WeakPolarHBondContact O-CB 3.19Å; A287-K291 WeakPolarHBondContact O-CD 3.36Å; A287-K291 WeakPolarHBondContact O-CG 3.18Å; A287-K291 PolarHBondContact O-N 3.39Å; E288-K291 PolarHBondContact O-N 3.16Å; F289-K291 VanDerWaalsContact C-N 3.29Å; F289-K291 PolarHBondContact O-N 2.84Å; K291-Q294 PolarHBondContact O-N 2.86Å; K291-Q295 WeakPolarHBondContact O-CB 3.2Å; K291-Q295 PolarHBondContact O-N 3.46Å
292	A	62.4	Low	60.4	Low	2 Å²	2	61.6 Å²	61.6	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-42.4	179.7	0	0	0	0	0	111.4	N264 L268 E288 F289 L296	N264-A292 HydrophobicContact CB-CB 4.3Å; L268-A292 HydrophobicContact CD2-CB 4.37Å; L268-A292 HydrophobicContact CG-CB 4.49Å; E288-A292 WeakPolarHBondContact O-CB 3.16Å; E288-A292 PolarHBondContact O-N 3.09Å; F289-A292 PolarHBondContact O-N 3.11Å; A292-L296 WeakPolarHBondContact O-CG 3.44Å; A292-L296 PolarHBondContact O-N 2.92Å; A292-L296 VanDerWaalsContact O-N 3.15Å
293	E	65.8	Low	61.4	Low	22 Å²	22	55.7 Å²	55.7	10%	0.103	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-56.4	171.8	-175.4	-167.8	165	0	0	110.7	M172 L268 F289 Q295 L296 V297	M172-E293 HydrophobicContact CG-CG 4.37Å; M172-E293 WeakPolarHBondContact CG-OE1 3.32Å; L268-E293 HydrophobicContact CD2-CB 4.1Å; F289-E293 HydrophobicContact CD1-CB 4.48Å; F289-E293 HydrophobicContact CE1-CB 4.28Å; F289-E293 WeakPolarHBondContact CE1-OE2 3.41Å; F289-E293 VanDerWaalsContact O-CB 3.25Å; F289-E293 WeakPolarHBondContact O-CB 3.2Å; F289-E293 PolarHBondContact O-N 3.36Å; E293-Q295 PolarHBondContact O-N 2.88Å; E293-L296 PolarHBondContact O-N 3.49Å; E293-V297 HydrophobicContact CG-CG2 4.2Å; E293-V297 WeakPolarHBondContact O-CG2 3.35Å; E293-V297 PolarHBondContact O-N 2.82Å
294	Q	69.8	Low	62.6	Low	98 Å²	98	53.2 Å²	53.2	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-54.8	-39.3	179.5	-79.2	168.8	-0.7	0	0	112.5	S290 K291 V297 Q298	S290-Q294 WeakPolarHBondContact O-CB 3.46Å; S290-Q294 WeakPolarHBondContact O-CG 3.31Å; S290-Q294 PolarHBondContact O-N 3.03Å; S290-Q294 PolarHBondContact OG-NE2 3.49Å; K291-Q294 PolarHBondContact O-N 2.86Å; Q294-V297 WeakPolarHBondContact O-CB 3.4Å; Q294-V297 PolarHBondContact O-N 3.42Å; Q294-Q298 WeakPolarHBondContact O-CB 3.44Å; Q294-Q298 VanDerWaalsContact O-CG 3.23Å; Q294-Q298 WeakPolarHBondContact O-CG 3.35Å; Q294-Q298 PolarHBondContact O-N 2.98Å
295	Q	69.3	Low	63.5	Low	42 Å²	42	54.3 Å²	54.3	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-43.5	177.8	-169	60.6	58.6	0	0	112.1	R260 K291 E293 V297 Q298 D299	R260-Q295 VanDerWaalsContact CZ-CG 3.46Å; R260-Q295 VanDerWaalsContact NH2-CG 3.34Å; K291-Q295 WeakPolarHBondContact O-CB 3.2Å; K291-Q295 PolarHBondContact O-N 3.46Å; E293-Q295 PolarHBondContact O-N 2.88Å; Q295-V297 VanDerWaalsContact C-N 3.32Å; Q295-Q298 PolarHBondContact O-N 3.02Å; Q295-D299 PolarHBondContact NE2-OD1 3.13Å; Q295-D299 WeakPolarHBondContact O-CB 3.25Å; Q295-D299 PolarHBondContact O-N 2.96Å
296	L	66.9	Low	64	Low	1 Å²	1	58 Å²	58	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-37.6	175.1	-74.3	167.4	0	0	0	111.7	F261 N264 L268 A292 E293 D299 L300 M325 L328	F261-L296 HydrophobicContact CD2-CD2 3.23Å; F261-L296 HydrophobicContact CE2-CD2 3.33Å; F261-L296 HydrophobicContact CG-CD2 4Å; F261-L296 HydrophobicContact CZ-CD2 4.22Å; N264-L296 HydrophobicContact CB-CD1 3.7Å; N264-L296 HydrophobicContact CB-CD2 4.19Å; N264-L296 HydrophobicContact CB-CG 3.83Å; L268-L296 HydrophobicContact CD1-CD1 3.42Å; L268-L296 VanDerWaalsContact CD1-CD1 3.42Å; A292-L296 WeakPolarHBondContact O-CG 3.44Å; A292-L296 PolarHBondContact O-N 2.92Å; A292-L296 VanDerWaalsContact O-N 3.15Å; E293-L296 PolarHBondContact O-N 3.49Å; L296-D299 PolarHBondContact O-N 3.31Å; L296-L300 WeakPolarHBondContact O-CB 3.14Å; L296-L300 WeakPolarHBondContact O-CG 3.21Å; L296-L300 PolarHBondContact O-N 2.73Å; L296-M325 HydrophobicContact CB-SD 4.4Å; L296-L328 HydrophobicContact CD2-CD2 4.33Å
297	V	70.5	Confident	64.3	Low	24 Å²	24	60.3 Å²	60.3	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-57.2	-51	172.6	-177.9	0	0	0	0	110.1	P171 E293 Q294 Q295 L300 H301 I321 M325	P171-V297 HydrophobicContact CG-CG1 3.91Å; P171-V297 HydrophobicContact CG-CG2 4.24Å; E293-V297 HydrophobicContact CG-CG2 4.2Å; E293-V297 WeakPolarHBondContact O-CG2 3.35Å; E293-V297 PolarHBondContact O-N 2.82Å; Q294-V297 WeakPolarHBondContact O-CB 3.4Å; Q294-V297 PolarHBondContact O-N 3.42Å; Q295-V297 VanDerWaalsContact C-N 3.32Å; V297-L300 PolarHBondContact O-N 3.15Å; V297-H301 VanDerWaalsContact O-CB 3.23Å; V297-H301 WeakPolarHBondContact O-CB 3.47Å; V297-H301 PolarHBondContact O-N 3.26Å; V297-I321 HydrophobicContact CG1-CG2 3.79Å; V297-M325 HydrophobicContact CB-CE 3.67Å; V297-M325 HydrophobicContact CB-SD 4.21Å; V297-M325 HydrophobicContact CG1-CE 3.88Å; V297-M325 HydrophobicContact CG2-CE 3.27Å; V297-M325 HydrophobicContact CG2-SD 3.47Å; V297-M325 WeakPolarHBondContact CG2-SD 3.5Å
298	Q	71.7	Confident	64.5	Low	111 Å²	111	65 Å²	65	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-45.5	-178.8	-73.9	171.5	2.3	0	0	111.8	Q294 Q295 L300 H301 A302	Q294-Q298 WeakPolarHBondContact O-CB 3.44Å; Q294-Q298 VanDerWaalsContact O-CG 3.23Å; Q294-Q298 WeakPolarHBondContact O-CG 3.35Å; Q294-Q298 PolarHBondContact O-N 2.98Å; Q295-Q298 PolarHBondContact O-N 3.02Å; Q298-L300 PolarHBondContact O-N 2.9Å; Q298-H301 PolarHBondContact O-N 3.13Å; Q298-A302 WeakPolarHBondContact O-CB 3.46Å; Q298-A302 PolarHBondContact O-N 3.28Å
299	D	66.7	Low	64.1	Low	32 Å²	32	66.8 Å²	66.8	17%	0.171	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-46.4	178.5	-67.2	-6.4	0	0	0	109.7	R260 Q295 L296 L303	R260-D299 IonicContact NH1-OD1 2.88Å; R260-D299 IonicContact NH1-OD2 3.39Å; Q295-D299 PolarHBondContact NE2-OD1 3.13Å; Q295-D299 WeakPolarHBondContact O-CB 3.25Å; Q295-D299 PolarHBondContact O-N 2.96Å; L296-D299 PolarHBondContact O-N 3.31Å; D299-L303 VanDerWaalsContact O-CD1 3.23Å; D299-L303 WeakPolarHBondContact O-CD1 3.23Å; D299-L303 WeakPolarHBondContact O-CG 3.33Å; D299-L303 PolarHBondContact O-N 3.11Å
300	L	68.3	Low	63.9	Low	1 Å²	1	69.8 Å²	69.8	1%	0.005	36%	0.358	C	S	.	.	H	α-helix	trans	-67.4	-39.5	176.9	-78.8	165.3	0	0	0	113	F247 L296 V297 Q298 L303 L304 A324 M325	F247-L300 HydrophobicContact CD1-CD2 4.11Å; F247-L300 HydrophobicContact CD2-CD2 4.14Å; F247-L300 HydrophobicContact CE1-CD2 3.99Å; F247-L300 HydrophobicContact CE2-CD2 4.03Å; F247-L300 HydrophobicContact CG-CD2 4.21Å; F247-L300 HydrophobicContact CZ-CD2 3.97Å; L296-L300 WeakPolarHBondContact O-CB 3.14Å; L296-L300 WeakPolarHBondContact O-CG 3.21Å; L296-L300 PolarHBondContact O-N 2.73Å; V297-L300 PolarHBondContact O-N 3.15Å; Q298-L300 PolarHBondContact O-N 2.9Å; L300-L303 PolarHBondContact O-N 3.1Å; L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 VanDerWaalsContact O-CG 3.24Å; L300-L304 WeakPolarHBondContact O-CG 3.13Å; L300-L304 PolarHBondContact O-N 2.86Å; L300-A324 HydrophobicContact CD1-CB 4.23Å; L300-A324 HydrophobicContact CD2-CB 4.3Å; L300-M325 HydrophobicContact CD1-CB 4.21Å; L300-M325 HydrophobicContact CD1-CG 3.26Å
301	H	71.8	Confident	62.9	Low	79 Å²	79	78.3 Å²	78.3	37%	0.366	39%	0.391	S	S	.	.	H	α-helix	trans	-60.5	-47.8	177.6	-177.2	-110.4	0	0	0	111.2	V297 Q298 L303 L304 L305 I321	V297-H301 VanDerWaalsContact O-CB 3.23Å; V297-H301 WeakPolarHBondContact O-CB 3.47Å; V297-H301 PolarHBondContact O-N 3.26Å; Q298-H301 PolarHBondContact O-N 3.13Å; H301-L303 PolarHBondContact O-N 3.03Å; H301-L304 PolarHBondContact O-N 3.22Å; H301-L305 WeakPolarHBondContact CE1-CD1 3.48Å; H301-L305 WeakPolarHBondContact O-CB 3.06Å; H301-L305 WeakPolarHBondContact O-CG 3.46Å; H301-L305 PolarHBondContact O-N 2.72Å; H301-I321 HydrophobicContact CB-CD1 4.27Å; H301-I321 VanDerWaalsContact CD2-CD1 3.45Å; H301-I321 WeakPolarHBondContact CD2-CD1 3.09Å
302	A	67.3	Low	62.2	Low	51 Å²	51	74.7 Å²	74.7	42%	0.421	39%	0.394	S	S	.	.	H	α-helix	trans	-58	-39.4	176.5	0	0	0	0	0	111.8	Q298 Q306	Q298-A302 WeakPolarHBondContact O-CB 3.46Å; Q298-A302 PolarHBondContact O-N 3.28Å; A302-Q306 WeakPolarHBondContact O-CG 3.32Å; A302-Q306 PolarHBondContact O-N 3.03Å
303	L	63.2	Low	61.9	Low	49 Å²	49	79.5 Å²	79.5	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-75.6	-38.2	-178.4	-65.6	167.8	0	0	0	113.1	L249 D299 L300 H301 Q306 K307	L249-L303 HydrophobicContact CD1-CD1 3.51Å; L249-L303 HydrophobicContact CD2-CB 4.43Å; L249-L303 HydrophobicContact CD2-CD1 3.83Å; L249-L303 HydrophobicContact CD2-CD2 3.62Å; L249-L303 HydrophobicContact CD2-CG 4.15Å; L249-L303 HydrophobicContact CG-CD1 4.3Å; D299-L303 VanDerWaalsContact O-CD1 3.23Å; D299-L303 WeakPolarHBondContact O-CD1 3.23Å; D299-L303 WeakPolarHBondContact O-CG 3.33Å; D299-L303 PolarHBondContact O-N 3.11Å; L300-L303 PolarHBondContact O-N 3.1Å; H301-L303 PolarHBondContact O-N 3.03Å; L303-Q306 PolarHBondContact O-N 3.45Å; L303-K307 PolarHBondContact O-N 3.34Å
304	L	67.3	Low	61.9	Low	50 Å²	50	87.7 Å²	87.7	26%	0.262	46%	0.456	S	S	.	.	H	α-helix	trans	-70.1	-36.8	177.9	-72	169.2	0	0	0	111.6	L300 H301 Q306 K307 R308 I320 I321 A324	L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 VanDerWaalsContact O-CG 3.24Å; L300-L304 WeakPolarHBondContact O-CG 3.13Å; L300-L304 PolarHBondContact O-N 2.86Å; H301-L304 PolarHBondContact O-N 3.22Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; L304-Q306 PolarHBondContact O-N 3.31Å; L304-K307 PolarHBondContact O-N 2.82Å; L304-R308 PolarHBondContact O-N 3.36Å; L304-I320 HydrophobicContact CD1-CG2 3.8Å; L304-I320 HydrophobicContact CD2-CG2 4.18Å; L304-I321 HydrophobicContact CD1-CG1 3.91Å; L304-A324 HydrophobicContact CD1-CB 4.39Å
305	L	66.6	Low	62	Low	87 Å²	87	84.8 Å²	84.8	46%	0.455	44%	0.443	S	S	.	.	H	α-helix	trans	-62.5	-39	174	-75.1	178.4	0	0	0	112.3	H301 K307	H301-L305 WeakPolarHBondContact CE1-CD1 3.48Å; H301-L305 WeakPolarHBondContact O-CB 3.06Å; H301-L305 WeakPolarHBondContact O-CG 3.46Å; H301-L305 PolarHBondContact O-N 2.72Å; L305-K307 PolarHBondContact O-N 3.2Å
306	Q	59	Low	62.5	Low	157 Å²	157	85.7 Å²	85.7	73%	0.734	45%	0.454	S	S	*	.	H	α-helix	trans	-64.7	-24.2	177.1	-74.9	178	1.5	0	0	113.5	A302 L303 L304	A302-Q306 WeakPolarHBondContact O-CG 3.32Å; A302-Q306 PolarHBondContact O-N 3.03Å; L303-Q306 PolarHBondContact O-N 3.45Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; L304-Q306 PolarHBondContact O-N 3.31Å
307	K	58.2	Low	63	Low	106 Å²	106	88.5 Å²	88.5	46%	0.461	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	11.6	-174.4	-68	-167.1	177.1	-172.7	0	114.4	F247 A248 L303 L304 L305 V309	F247-K307 PolarHBondContact O-NZ 3.38Å; A248-K307 PolarHBondContact O-NZ 3.15Å; L303-K307 PolarHBondContact O-N 3.34Å; L304-K307 PolarHBondContact O-N 2.82Å; L305-K307 PolarHBondContact O-N 3.2Å; K307-V309 VanDerWaalsContact C-N 3.26Å; K307-V309 PolarHBondContact O-N 3.49Å
308	R	56.7	Low	63.5	Low	157 Å²	157	90.1 Å²	90.1	59%	0.592	48%	0.478	S	S	*	.			trans	-70	79.9	-175.1	-139.9	-179.7	-169.9	-177.3	4.1	111.7	L304 D317	L304-R308 PolarHBondContact O-N 3.36Å; R308-D317 IonicContact CZ-OD1 3.91Å; R308-D317 IonicContact CZ-OD2 3.54Å; R308-D317 IonicContact NE-OD1 2.8Å; R308-D317 IonicContact NH1-OD2 3.67Å; R308-D317 IonicContact NH2-OD1 3.4Å; R308-D317 PolarHBondContact NH2-OD1 2.82Å; R308-D317 IonicContact NH2-OD2 2.73Å; R308-D317 PolarHBondContact NH2-OD2 2.92Å
309	V	43.8	Very low	64	Low	140 Å²	140	85.1 Å²	85.1	85%	0.848	46%	0.455	S	S	*	.			trans	-133.9	79.7	167.1	-173.2	0	0	0	0	107.8	K307	K307-V309 VanDerWaalsContact C-N 3.26Å; K307-V309 PolarHBondContact O-N 3.49Å
310	A	47.4	Very low	64.6	Low	75 Å²	75	86.2 Å²	86.2	62%	0.62	46%	0.46	S	S	*	.			trans	-163.7	103.1	159.2	0	0	0	0	0	110.3
311	K	42.2	Very low	65.1	Low	218 Å²	218	86.7 Å²	86.7	95%	0.948	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	133.6	164.6	-70.4	177.4	174.2	179.4	0	108.9
312	G	51.4	Low	65.7	Low	67 Å²	67	82.9 Å²	82.9	69%	0.691	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.7	5	163.9	0	0	0	0	0	118.1
313	I	55.3	Low	66.5	Low	102 Å²	102	80.7 Å²	80.7	52%	0.523	43%	0.426	S	S	.	.			trans	-97.6	113	176	-57.1	176	0	0	0	109.5	T190 L315	T190-I313 HydrophobicContact CG2-CG2 4.26Å; I313-L315 HydrophobicContact CG2-CB 4.03Å; I313-L315 HydrophobicContact CG2-CD1 4.11Å; I313-L315 HydrophobicContact CG2-CG 3.91Å; I313-L315 PolarHBondContact O-N 3.43Å; I313-L315 VanDerWaalsContact O-N 3.07Å
314	H	66	Low	67.4	Low	194 Å²	194	78.7 Å²	78.7	90%	0.898	42%	0.416	S	S	*	.			trans	-80.6	42.3	178.3	-66.9	-76.2	0	0	0	113.4
315	L	72.8	Confident	68	Low	37 Å²	37	76.5 Å²	76.5	19%	0.194	41%	0.405	C	S	.	.			trans	-109	138.9	174.2	-65.5	179.7	0	0	0	110.2	V187 T190 I313 I320	V187-L315 HydrophobicContact CG2-CD2 3.86Å; T190-L315 HydrophobicContact CG2-CD1 3.83Å; T190-L315 HydrophobicContact CG2-CG 4.24Å; I313-L315 HydrophobicContact CG2-CB 4.03Å; I313-L315 HydrophobicContact CG2-CD1 4.11Å; I313-L315 HydrophobicContact CG2-CG 3.91Å; I313-L315 PolarHBondContact O-N 3.43Å; I313-L315 VanDerWaalsContact O-N 3.07Å; L315-I320 HydrophobicContact CB-CD1 4.46Å; L315-I320 HydrophobicContact CB-CG1 3.92Å
316	S	80.5	Confident	68.8	Low	61 Å²	61	72.6 Å²	72.6	43%	0.427	39%	0.385	S	S	.	.			trans	-65.1	155.1	171.9	63.7	0	0	0	0	110.8	D318 S319 I320	S316-D318 PolarHBondContact O-N 2.68Å; S316-S319 WeakPolarHBondContact O-CB 3.03Å; S316-S319 PolarHBondContact O-N 3.3Å; S316-S319 WeakPolarHBondContact OG-CB 3.12Å; S316-S319 PolarHBondContact OG-N 2.98Å; S316-S319 VanDerWaalsContact OG-N 3.14Å; S316-I320 WeakPolarHBondContact O-CG1 3.42Å; S316-I320 PolarHBondContact O-N 2.93Å
317	D	76.8	Confident	70.1	Confident	61 Å²	61	66.8 Å²	66.8	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-40.4	175.9	-73.1	-29.8	0	0	0	111.5	R308 S319 I320 I321	R308-D317 IonicContact CZ-OD1 3.91Å; R308-D317 IonicContact CZ-OD2 3.54Å; R308-D317 IonicContact NE-OD1 2.8Å; R308-D317 IonicContact NH1-OD2 3.67Å; R308-D317 IonicContact NH2-OD1 3.4Å; R308-D317 PolarHBondContact NH2-OD1 2.82Å; R308-D317 IonicContact NH2-OD2 2.73Å; R308-D317 PolarHBondContact NH2-OD2 2.92Å; D317-S319 VanDerWaalsContact C-N 3.33Å; D317-S319 PolarHBondContact O-N 3.49Å; D317-I320 PolarHBondContact O-N 3.48Å; D317-I321 WeakPolarHBondContact O-CB 3.23Å; D317-I321 VanDerWaalsContact O-CD1 3.27Å; D317-I321 WeakPolarHBondContact O-CD1 3.23Å; D317-I321 WeakPolarHBondContact O-CG1 3.41Å; D317-I321 PolarHBondContact O-N 2.86Å
318	D	80.5	Confident	71.2	Confident	58 Å²	58	61.7 Å²	61.7	31%	0.31	34%	0.335	S	S	.	.	H	α-helix	trans	-53.2	-48.7	171.2	-72.5	-16.8	0	0	0	111.7	K170 P171 S316 I321 A322	K170-D318 WeakPolarHBondContact CD-OD2 3.39Å; K170-D318 IonicContact NZ-OD2 3.14Å; K170-D318 PolarHBondContact NZ-OD2 3.03Å; P171-D318 HydrophobicContact CB-CB 4.1Å; S316-D318 PolarHBondContact O-N 2.68Å; D318-I321 PolarHBondContact O-N 2.9Å; D318-A322 WeakPolarHBondContact O-CB 3.38Å; D318-A322 PolarHBondContact O-N 2.87Å
319	S	81.9	Confident	72.5	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-66.5	-39.4	-179.2	-170.2	0	0	0	0	112.1	D174 S316 D317 A322 N323	D174-S319 PolarHBondContact O-OG 3Å; S316-S319 WeakPolarHBondContact O-CB 3.03Å; S316-S319 PolarHBondContact O-N 3.3Å; S316-S319 WeakPolarHBondContact OG-CB 3.12Å; S316-S319 PolarHBondContact OG-N 2.98Å; S316-S319 VanDerWaalsContact OG-N 3.14Å; D317-S319 VanDerWaalsContact C-N 3.33Å; D317-S319 PolarHBondContact O-N 3.49Å; S319-A322 PolarHBondContact O-N 2.89Å; S319-N323 WeakPolarHBondContact O-CB 3.45Å; S319-N323 PolarHBondContact O-N 3.21Å; S319-N323 PolarHBondContact O-ND2 3.17Å; S319-N323 PolarHBondContact OG-ND2 3.06Å
320	I	79.9	Confident	74.5	Confident	55 Å²	55	50.5 Å²	50.5	28%	0.282	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-49.8	176.6	-63.5	170.9	0	0	0	109.8	L304 L315 S316 D317 A322 N323 A324	L304-I320 HydrophobicContact CD1-CG2 3.8Å; L304-I320 HydrophobicContact CD2-CG2 4.18Å; L315-I320 HydrophobicContact CB-CD1 4.46Å; L315-I320 HydrophobicContact CB-CG1 3.92Å; S316-I320 WeakPolarHBondContact O-CG1 3.42Å; S316-I320 PolarHBondContact O-N 2.93Å; D317-I320 PolarHBondContact O-N 3.48Å; I320-A322 VanDerWaalsContact C-N 3.34Å; I320-A322 PolarHBondContact O-N 3.31Å; I320-N323 PolarHBondContact O-N 3.2Å; I320-A324 VanDerWaalsContact O-CB 3.27Å; I320-A324 WeakPolarHBondContact O-CB 3.41Å; I320-A324 PolarHBondContact O-N 3.23Å
321	I	79.2	Confident	76.4	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.051	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-43	179.3	-66.2	161.8	0	0	0	110.7	P171 V297 H301 L304 D317 D318 A324 M325	P171-I321 HydrophobicContact CB-CG2 4.46Å; P171-I321 HydrophobicContact CG-CG2 4Å; V297-I321 HydrophobicContact CG1-CG2 3.79Å; H301-I321 HydrophobicContact CB-CD1 4.27Å; H301-I321 VanDerWaalsContact CD2-CD1 3.45Å; H301-I321 WeakPolarHBondContact CD2-CD1 3.09Å; L304-I321 HydrophobicContact CD1-CG1 3.91Å; D317-I321 WeakPolarHBondContact O-CB 3.23Å; D317-I321 VanDerWaalsContact O-CD1 3.27Å; D317-I321 WeakPolarHBondContact O-CD1 3.23Å; D317-I321 WeakPolarHBondContact O-CG1 3.41Å; D317-I321 PolarHBondContact O-N 2.86Å; D318-I321 PolarHBondContact O-N 2.9Å; I321-A324 WeakPolarHBondContact O-CB 3.42Å; I321-A324 PolarHBondContact O-N 3.27Å; I321-M325 HydrophobicContact CB-CE 4.43Å; I321-M325 HydrophobicContact CG2-CE 3.15Å; I321-M325 WeakPolarHBondContact O-CE 3.44Å; I321-M325 PolarHBondContact O-N 2.97Å
322	A	83.1	Confident	78.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-46.6	-180	0	0	0	0	0	112.9	P171 M172 D174 C175 D318 S319 I320 V326	P171-A322 HydrophobicContact CB-CB 4.32Å; P171-A322 WeakPolarHBondContact O-CB 3.37Å; M172-A322 HydrophobicContact CE-CB 4.05Å; D174-A322 HydrophobicContact CB-CB 4.43Å; C175-A322 HydrophobicContact CB-CB 3.88Å; D318-A322 WeakPolarHBondContact O-CB 3.38Å; D318-A322 PolarHBondContact O-N 2.87Å; S319-A322 PolarHBondContact O-N 2.89Å; I320-A322 VanDerWaalsContact C-N 3.34Å; I320-A322 PolarHBondContact O-N 3.31Å; A322-V326 PolarHBondContact O-N 2.9Å; A322-V326 VanDerWaalsContact O-N 3.13Å
323	N	85.3	Confident	80.3	Confident	5 Å²	5	33.9 Å²	33.9	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-70.9	-36	178.3	-74	-69.7	0	0	0	111.9	D174 L176 S319 I320 V326 F327	D174-N323 PolarHBondContact O-ND2 2.93Å; L176-N323 VanDerWaalsContact CB-OD1 3.24Å; L176-N323 WeakPolarHBondContact CB-OD1 3.47Å; L176-N323 PolarHBondContact N-OD1 3.25Å; S319-N323 WeakPolarHBondContact O-CB 3.45Å; S319-N323 PolarHBondContact O-N 3.21Å; S319-N323 PolarHBondContact O-ND2 3.17Å; S319-N323 PolarHBondContact OG-ND2 3.06Å; I320-N323 PolarHBondContact O-N 3.2Å; N323-V326 PolarHBondContact O-N 3.35Å; N323-F327 HydrophobicContact CB-CE2 3.96Å; N323-F327 HydrophobicContact CB-CZ 4.11Å; N323-F327 WeakPolarHBondContact O-CD2 3.47Å; N323-F327 VanDerWaalsContact O-CG 3.29Å; N323-F327 WeakPolarHBondContact O-CG 3.27Å; N323-F327 PolarHBondContact O-N 3.04Å
324	A	82	Confident	82.2	Confident	6 Å²	6	30.7 Å²	30.7	5%	0.05	17%	0.168	C	C	.	.	H	α-helix	trans	-56.6	-52.1	172.3	0	0	0	0	0	111.7	F247 L300 L304 I320 I321 V326 F327 L328	F247-A324 HydrophobicContact CE1-CB 3.42Å; F247-A324 VanDerWaalsContact CE1-CB 3.42Å; F247-A324 HydrophobicContact CZ-CB 3.73Å; F247-A324 WeakPolarHBondContact CZ-O 3.31Å; L300-A324 HydrophobicContact CD1-CB 4.23Å; L300-A324 HydrophobicContact CD2-CB 4.3Å; L304-A324 HydrophobicContact CD1-CB 4.39Å; I320-A324 VanDerWaalsContact O-CB 3.27Å; I320-A324 WeakPolarHBondContact O-CB 3.41Å; I320-A324 PolarHBondContact O-N 3.23Å; I321-A324 WeakPolarHBondContact O-CB 3.42Å; I321-A324 PolarHBondContact O-N 3.27Å; A324-V326 VanDerWaalsContact C-N 3.33Å; A324-V326 PolarHBondContact O-N 2.96Å; A324-F327 PolarHBondContact O-N 3.43Å; A324-L328 WeakPolarHBondContact O-CB 3.33Å; A324-L328 PolarHBondContact O-N 3.41Å
325	M	80.2	Confident	83.6	Confident	5 Å²	5	21.8 Å²	21.8	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-58.7	-44	176.9	-85.4	-178.5	-98.9	0	0	112.8	P171 M172 L296 V297 L300 I321 F327 L328 L329	P171-M325 HydrophobicContact CG-CE 4.1Å; M172-M325 HydrophobicContact CE-CB 3.93Å; M172-M325 HydrophobicContact CE-CE 3.21Å; M172-M325 HydrophobicContact CE-CG 4.24Å; M172-M325 HydrophobicContact CE-SD 3.42Å; M172-M325 WeakPolarHBondContact CE-SD 3.36Å; M172-M325 HydrophobicContact SD-CB 4.22Å; M172-M325 HydrophobicContact SD-SD 4.18Å; L296-M325 HydrophobicContact CB-SD 4.4Å; V297-M325 HydrophobicContact CB-CE 3.67Å; V297-M325 HydrophobicContact CB-SD 4.21Å; V297-M325 HydrophobicContact CG1-CE 3.88Å; V297-M325 HydrophobicContact CG2-CE 3.27Å; V297-M325 HydrophobicContact CG2-SD 3.47Å; V297-M325 WeakPolarHBondContact CG2-SD 3.5Å; L300-M325 HydrophobicContact CD1-CB 4.21Å; L300-M325 HydrophobicContact CD1-CG 3.26Å; I321-M325 HydrophobicContact CB-CE 4.43Å; I321-M325 HydrophobicContact CG2-CE 3.15Å; I321-M325 WeakPolarHBondContact O-CE 3.44Å; I321-M325 PolarHBondContact O-N 2.97Å; M325-F327 PolarHBondContact O-N 2.77Å; M325-L328 WeakPolarHBondContact O-CB 3.48Å; M325-L328 PolarHBondContact O-N 2.95Å; M325-L329 WeakPolarHBondContact O-CG 3.37Å; M325-L329 PolarHBondContact O-N 2.89Å
326	V	82.3	Confident	84.7	Confident	5 Å²	5	20 Å²	20	3%	0.03	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-40.8	179.9	158.5	0	0	0	0	112.2	C175 F177 A322 N323 A324 L328 L329 A330	C175-V326 HydrophobicContact CB-CB 4.39Å; C175-V326 HydrophobicContact CB-CG2 3.59Å; F177-V326 HydrophobicContact CD1-CG1 3.99Å; F177-V326 HydrophobicContact CD2-CB 4.43Å; F177-V326 HydrophobicContact CD2-CG1 3.53Å; F177-V326 HydrophobicContact CD2-CG2 4.02Å; F177-V326 HydrophobicContact CE1-CG1 3.68Å; F177-V326 HydrophobicContact CE2-CB 4.32Å; F177-V326 HydrophobicContact CE2-CG1 3.2Å; F177-V326 HydrophobicContact CE2-CG2 4.32Å; F177-V326 HydrophobicContact CG-CG1 3.92Å; F177-V326 HydrophobicContact CZ-CG1 3.28Å; A322-V326 PolarHBondContact O-N 2.9Å; A322-V326 VanDerWaalsContact O-N 3.13Å; N323-V326 PolarHBondContact O-N 3.35Å; A324-V326 VanDerWaalsContact C-N 3.33Å; A324-V326 PolarHBondContact O-N 2.96Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 PolarHBondContact O-N 2.81Å; V326-L329 PolarHBondContact O-N 2.79Å; V326-A330 WeakPolarHBondContact O-CB 3.32Å; V326-A330 PolarHBondContact O-N 2.95Å
327	F	85.7	Confident	85.4	Confident	34 Å²	34	17.2 Å²	17.2	15%	0.149	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-37.2	176.2	-63.2	-32.8	0	0	0	112.5	V191 N323 A324 M325 G331 I485	V191-F327 HydrophobicContact CB-CZ 4.24Å; V191-F327 HydrophobicContact CG1-CE1 4.01Å; V191-F327 HydrophobicContact CG1-CE2 3.71Å; V191-F327 HydrophobicContact CG1-CZ 3.18Å; V191-F327 HydrophobicContact CG2-CE2 4.32Å; V191-F327 HydrophobicContact CG2-CZ 4.01Å; N323-F327 HydrophobicContact CB-CE2 3.96Å; N323-F327 HydrophobicContact CB-CZ 4.11Å; N323-F327 WeakPolarHBondContact O-CD2 3.47Å; N323-F327 VanDerWaalsContact O-CG 3.29Å; N323-F327 WeakPolarHBondContact O-CG 3.27Å; N323-F327 PolarHBondContact O-N 3.04Å; A324-F327 PolarHBondContact O-N 3.43Å; M325-F327 PolarHBondContact O-N 2.77Å; F327-G331 PolarHBondContact O-N 2.65Å; F327-I485 HydrophobicContact CE1-CG2 4.15Å
328	L	83.1	Confident	86.4	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-54.5	175.1	-178.7	74.4	0	0	0	111.8	I242 F247 F261 L296 A324 M325 V326 A330 G331 Y332	I242-L328 HydrophobicContact CG2-CD1 3.49Å; I242-L328 VanDerWaalsContact CG2-CD1 3.49Å; F247-L328 HydrophobicContact CE2-CB 4.15Å; F247-L328 HydrophobicContact CE2-CD1 3.97Å; F261-L328 HydrophobicContact CD1-CD2 4.32Å; F261-L328 HydrophobicContact CE1-CD1 3.26Å; F261-L328 HydrophobicContact CE1-CD2 3.34Å; F261-L328 HydrophobicContact CE1-CG 3.69Å; F261-L328 HydrophobicContact CE2-CD2 3.71Å; F261-L328 HydrophobicContact CZ-CD1 3.42Å; F261-L328 VanDerWaalsContact CZ-CD1 3.42Å; F261-L328 HydrophobicContact CZ-CD2 2.99Å; F261-L328 HydrophobicContact CZ-CG 3.7Å; L296-L328 HydrophobicContact CD2-CD2 4.33Å; A324-L328 WeakPolarHBondContact O-CB 3.33Å; A324-L328 PolarHBondContact O-N 3.41Å; M325-L328 WeakPolarHBondContact O-CB 3.48Å; M325-L328 PolarHBondContact O-N 2.95Å; V326-L328 VanDerWaalsContact C-N 3.31Å; V326-L328 PolarHBondContact O-N 2.81Å; L328-A330 VanDerWaalsContact C-N 3.34Å; L328-A330 PolarHBondContact O-N 2.8Å; L328-G331 PolarHBondContact O-N 2.81Å; L328-Y332 WeakPolarHBondContact O-CB 3.45Å; L328-Y332 PolarHBondContact O-N 2.8Å
329	L	82.2	Confident	87.3	Confident	31 Å²	31	11.8 Å²	11.8	16%	0.162	7%	0.07	C	C	.	.	H	α-helix	trans	-62.1	-44.2	-179.1	-68.7	172.6	0	0	0	111	C265 L268 F269 M325 V326 Y332 E333	C265-L329 HydrophobicContact CB-CD2 4.16Å; L268-L329 HydrophobicContact CB-CD2 4.29Å; L268-L329 HydrophobicContact CD1-CD1 3.96Å; L268-L329 HydrophobicContact CD1-CD2 3.78Å; L268-L329 HydrophobicContact CD1-CG 4.45Å; F269-L329 HydrophobicContact CD2-CD2 4.25Å; F269-L329 HydrophobicContact CE2-CB 3.73Å; F269-L329 HydrophobicContact CE2-CD2 3.89Å; F269-L329 HydrophobicContact CE2-CG 4.38Å; F269-L329 VanDerWaalsContact CE2-O 3.23Å; F269-L329 WeakPolarHBondContact CE2-O 3.14Å; F269-L329 HydrophobicContact CZ-CB 4.1Å; F269-L329 WeakPolarHBondContact CZ-O 3.46Å; M325-L329 WeakPolarHBondContact O-CG 3.37Å; M325-L329 PolarHBondContact O-N 2.89Å; V326-L329 PolarHBondContact O-N 2.79Å; L329-Y332 PolarHBondContact O-N 3.5Å; L329-E333 PolarHBondContact O-N 2.92Å
330	A	87	Confident	88	Confident	31 Å²	31	11.5 Å²	11.5	26%	0.256	7%	0.068	S	C	.	.	H	α-helix	trans	-63	-44.2	178.6	0	0	0	0	0	112.3	F177 V326 L328 Y332 T334	F177-A330 HydrophobicContact CZ-CB 4.35Å; V326-A330 WeakPolarHBondContact O-CB 3.32Å; V326-A330 PolarHBondContact O-N 2.95Å; L328-A330 VanDerWaalsContact C-N 3.34Å; L328-A330 PolarHBondContact O-N 2.8Å; A330-Y332 VanDerWaalsContact C-N 3.33Å; A330-Y332 PolarHBondContact O-N 2.73Å; A330-T334 PolarHBondContact O-OG1 2.99Å
331	G	86.9	Confident	88.9	Confident	7 Å²	7	8.9 Å²	8.9	7%	0.072	6%	0.055	C	C	.	.	H	α-helix	trans	-73.4	-20.8	-178.8	0	0	0	0	0	114.7	F327 L328 S335	F327-G331 PolarHBondContact O-N 2.65Å; L328-G331 PolarHBondContact O-N 2.81Å; G331-S335 PolarHBondContact O-OG 2.9Å
332	Y	88.9	Confident	89.8	Confident	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-78.5	-72.2	178	163.4	-118.5	0	0	0	112.9	Q235 T238 V239 L262 C265 R266 F269 L328 L329 A330 S336	Q235-Y332 HydrophobicContact CB-CE2 3.54Å; Q235-Y332 HydrophobicContact CG-CE2 3.65Å; Q235-Y332 WeakPolarHBondContact CG-OH 3.4Å; Q235-Y332 PolarHBondContact NE2-OH 3.45Å; Q235-Y332 WeakPolarHBondContact O-CD2 3.28Å; Q235-Y332 WeakPolarHBondContact O-CE2 3.42Å; Q235-Y332 PolarHBondContact OE1-OH 3.37Å; T238-Y332 PolarHBondContact OG1-O 2.92Å; T238-Y332 VanDerWaalsContact OG1-O 3.13Å; V239-Y332 HydrophobicContact CB-CD2 4.36Å; V239-Y332 HydrophobicContact CG2-CD2 3.19Å; V239-Y332 HydrophobicContact CG2-CE2 3.66Å; V239-Y332 HydrophobicContact CG2-CG 3.73Å; L262-Y332 HydrophobicContact CD2-CD2 4.3Å; L262-Y332 HydrophobicContact CD2-CE2 3.54Å; C265-Y332 HydrophobicContact CB-CD1 3.64Å; C265-Y332 HydrophobicContact CB-CE1 3.67Å; C265-Y332 HydrophobicContact CB-CG 4.41Å; R266-Y332 WeakPolarHBondContact CG-OH 3.36Å; R266-Y332 PolarHBondContact NE-OH 3.4Å; F269-Y332 HydrophobicContact CD2-CD1 4.38Å; F269-Y332 HydrophobicContact CE2-CD1 4.31Å; L328-Y332 WeakPolarHBondContact O-CB 3.45Å; L328-Y332 PolarHBondContact O-N 2.8Å; L329-Y332 PolarHBondContact O-N 3.5Å; A330-Y332 VanDerWaalsContact C-N 3.33Å; A330-Y332 PolarHBondContact O-N 2.73Å; Y332-S336 WeakPolarHBondContact O-CB 3.48Å; Y332-S336 PolarHBondContact O-N 3.1Å; Y332-S336 PolarHBondContact O-OG 3.19Å
333	E	87.3	Confident	90.5	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.019	5%	0.052	C	C	.	.	H	α-helix	trans	-74.8	-37.7	-165.2	-171.9	75.2	173.4	0	0	110.9	Y231 Q235 F269 L329 S336 T337 K527	Y231-E333 PolarHBondContact OH-OE1 2.84Å; Y231-E333 PolarHBondContact OH-OE2 2.92Å; Q235-E333 PolarHBondContact NE2-OE2 3.24Å; F269-E333 HydrophobicContact CD1-CB 4Å; F269-E333 HydrophobicContact CD1-CG 3.87Å; F269-E333 HydrophobicContact CD2-CB 3.82Å; F269-E333 HydrophobicContact CD2-CG 4.27Å; F269-E333 HydrophobicContact CE1-CB 3.81Å; F269-E333 HydrophobicContact CE1-CG 4.09Å; F269-E333 HydrophobicContact CE2-CB 3.61Å; F269-E333 HydrophobicContact CE2-CG 4.46Å; F269-E333 HydrophobicContact CG-CB 4.01Å; F269-E333 HydrophobicContact CG-CG 3.97Å; F269-E333 HydrophobicContact CZ-CB 3.61Å; F269-E333 HydrophobicContact CZ-CG 4.38Å; L329-E333 PolarHBondContact O-N 2.92Å; E333-S336 WeakPolarHBondContact CA-OG 3.45Å; E333-S336 PolarHBondContact O-OG 3.16Å; E333-S336 VanDerWaalsContact O-OG 3.09Å; E333-T337 WeakPolarHBondContact O-CB 3.23Å; E333-T337 PolarHBondContact O-N 3.24Å; E333-T337 PolarHBondContact O-OG1 3.25Å; E333-K527 VanDerWaalsContact OE1-CD 3.32Å; E333-K527 WeakPolarHBondContact OE1-CD 3.33Å; E333-K527 IonicContact OE1-NZ 3.24Å
334	T	93.9	Very high	91.2	Very high	34 Å²	34	8.8 Å²	8.8	21%	0.209	5%	0.054	C	C	.	.	H	α-helix	trans	-69.7	-44.7	-175	70	0	0	0	0	112.4	A330 T337 A338 P395	A330-T334 PolarHBondContact O-OG1 2.99Å; T334-T337 PolarHBondContact O-N 3.24Å; T334-A338 PolarHBondContact O-N 3.36Å; T334-P395 HydrophobicContact CG2-CB 4.27Å; T334-P395 WeakPolarHBondContact O-CG 3.25Å
335	S	96.1	Very high	91.9	Very high	8 Å²	8	8.7 Å²	8.7	6%	0.056	5%	0.052	C	C	.	.	H	α-helix	trans	-67.7	-42.8	178.3	-66.3	0	0	0	0	112	G331 T337 A338 M339 Q493	G331-S335 PolarHBondContact O-OG 2.9Å; S335-T337 VanDerWaalsContact C-N 3.3Å; S335-T337 PolarHBondContact O-N 2.83Å; S335-A338 PolarHBondContact O-N 3.45Å; S335-M339 WeakPolarHBondContact O-CG 3.34Å; S335-M339 PolarHBondContact O-N 3.05Å; S335-Q493 PolarHBondContact OG-OE1 3.45Å
336	S	95.9	Very high	92.8	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.3	-38.1	178.9	52.5	0	0	0	0	111.1	Y231 Y332 E333 M339 G340	Y231-S336 WeakPolarHBondContact CD2-O 3.44Å; Y332-S336 WeakPolarHBondContact O-CB 3.48Å; Y332-S336 PolarHBondContact O-N 3.1Å; Y332-S336 PolarHBondContact O-OG 3.19Å; E333-S336 WeakPolarHBondContact CA-OG 3.45Å; E333-S336 PolarHBondContact O-OG 3.16Å; E333-S336 VanDerWaalsContact O-OG 3.09Å; S336-M339 PolarHBondContact O-N 2.97Å; S336-G340 PolarHBondContact O-N 3.15Å
337	T	95.7	Very high	93.6	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	5%	0.051	C	C	.	.	H	α-helix	trans	-63	-47.5	175.8	-65.2	0	0	0	0	111.2	Y231 E333 T334 S335 M339 G340 F341 P395 I526	Y231-T337 PolarHBondContact OH-OG1 2.69Å; E333-T337 WeakPolarHBondContact O-CB 3.23Å; E333-T337 PolarHBondContact O-N 3.24Å; E333-T337 PolarHBondContact O-OG1 3.25Å; T334-T337 PolarHBondContact O-N 3.24Å; S335-T337 VanDerWaalsContact C-N 3.3Å; S335-T337 PolarHBondContact O-N 2.83Å; T337-M339 PolarHBondContact O-N 2.8Å; T337-G340 PolarHBondContact O-N 3.48Å; T337-F341 HydrophobicContact CG2-CD2 3.6Å; T337-F341 HydrophobicContact CG2-CE2 3.37Å; T337-F341 VanDerWaalsContact O-CD2 3.22Å; T337-F341 WeakPolarHBondContact O-CD2 3.46Å; T337-F341 PolarHBondContact O-N 3.3Å; T337-P395 HydrophobicContact CG2-CB 4.14Å; T337-P395 HydrophobicContact CG2-CG 4.12Å; T337-I526 WeakPolarHBondContact CG2-O 3.5Å
338	A	97.7	Very high	94.1	Very high	5 Å²	5	10.6 Å²	10.6	4%	0.041	6%	0.06	C	C	.	.	H	α-helix	trans	-59.9	-45.6	177.9	0	0	0	0	0	111.9	T334 S335 F341 A342 L390 P395 F494	T334-A338 PolarHBondContact O-N 3.36Å; S335-A338 PolarHBondContact O-N 3.45Å; A338-F341 PolarHBondContact O-N 3.36Å; A338-A342 WeakPolarHBondContact O-CB 3.19Å; A338-A342 PolarHBondContact O-N 3.49Å; A338-L390 HydrophobicContact CB-CD2 3.81Å; A338-P395 HydrophobicContact CB-CG 4.39Å; A338-F494 HydrophobicContact CB-CD2 4.25Å; A338-F494 HydrophobicContact CB-CE2 4.43Å
339	M	98.4	Very high	94.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-67.8	-36	178.1	-68.6	-172.9	-69.7	0	0	112.8	F234 T238 S335 S336 T337 A342 S343 F494 T497 M498	F234-M339 HydrophobicContact CB-CE 4.2Å; F234-M339 HydrophobicContact CD1-CB 3.89Å; F234-M339 HydrophobicContact CD1-CE 3.84Å; F234-M339 HydrophobicContact CD1-SD 3.95Å; F234-M339 HydrophobicContact CD2-CB 3.76Å; F234-M339 HydrophobicContact CE1-CB 3.94Å; F234-M339 HydrophobicContact CE1-SD 4.1Å; F234-M339 HydrophobicContact CE2-CB 3.8Å; F234-M339 WeakPolarHBondContact CE2-O 3.43Å; F234-M339 HydrophobicContact CG-CB 3.82Å; F234-M339 HydrophobicContact CG-CE 4.2Å; F234-M339 HydrophobicContact CZ-CB 3.91Å; T238-M339 HydrophobicContact CG2-CE 3.32Å; S335-M339 WeakPolarHBondContact O-CG 3.34Å; S335-M339 PolarHBondContact O-N 3.05Å; S336-M339 PolarHBondContact O-N 2.97Å; T337-M339 PolarHBondContact O-N 2.8Å; M339-A342 PolarHBondContact O-N 3.33Å; M339-S343 WeakPolarHBondContact O-CB 3.43Å; M339-S343 PolarHBondContact O-N 3.38Å; M339-S343 PolarHBondContact O-OG 3.13Å; M339-F494 HydrophobicContact CG-CD2 3.69Å; M339-F494 HydrophobicContact CG-CE2 4.25Å; M339-F494 HydrophobicContact CG-CG 4.45Å; M339-T497 VanDerWaalsContact SD-CB 3.56Å; M339-T497 HydrophobicContact SD-CG2 3.58Å; M339-T497 VanDerWaalsContact SD-CG2 3.58Å; M339-M498 HydrophobicContact CB-CE 3.88Å; M339-M498 HydrophobicContact CG-CE 3.83Å; M339-M498 HydrophobicContact SD-CE 4.05Å
340	G	97.9	Very high	95.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.2	-52.3	173.3	0	0	0	0	0	111.8	S336 T337 A342 S343 W344	S336-G340 PolarHBondContact O-N 3.15Å; T337-G340 PolarHBondContact O-N 3.48Å; G340-A342 PolarHBondContact O-N 2.87Å; G340-S343 PolarHBondContact O-N 2.71Å; G340-W344 PolarHBondContact O-N 3.02Å
341	F	97.9	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-38.9	177.3	-72.9	-58.8	0	0	0	112.9	T337 A338 S343 W344 L345 T389 F393 I517 T519 I526 P528	T337-F341 HydrophobicContact CG2-CD2 3.6Å; T337-F341 HydrophobicContact CG2-CE2 3.37Å; T337-F341 VanDerWaalsContact O-CD2 3.22Å; T337-F341 WeakPolarHBondContact O-CD2 3.46Å; T337-F341 PolarHBondContact O-N 3.3Å; A338-F341 PolarHBondContact O-N 3.36Å; F341-S343 VanDerWaalsContact C-N 3.33Å; F341-S343 PolarHBondContact O-N 2.93Å; F341-W344 PolarHBondContact O-N 3.3Å; F341-L345 WeakPolarHBondContact O-CB 3.12Å; F341-L345 VanDerWaalsContact O-CG 3.3Å; F341-L345 WeakPolarHBondContact O-CG 3.28Å; F341-L345 PolarHBondContact O-N 2.92Å; F341-T389 HydrophobicContact CB-CG2 4.17Å; F341-F393 HydrophobicContact CB-CB 3.83Å; F341-F393 HydrophobicContact CB-CD2 3.89Å; F341-F393 HydrophobicContact CB-CG 3.96Å; F341-F393 HydrophobicContact CD1-CB 4.07Å; F341-F393 AromaticContact CD1-CD1 3.72Å; F341-F393 HydrophobicContact CD1-CD1 3.72Å; F341-F393 AromaticContact CD1-CD2 3.95Å; F341-F393 HydrophobicContact CD1-CD2 3.95Å; F341-F393 HydrophobicContact CD1-CE1 4.1Å; F341-F393 HydrophobicContact CD1-CE2 4.31Å; F341-F393 AromaticContact CD1-CG 3.63Å; F341-F393 HydrophobicContact CD1-CG 3.63Å; F341-F393 HydrophobicContact CD1-CZ 4.38Å; F341-F393 HydrophobicContact CD2-CB 3.3Å; F341-F393 HydrophobicContact CD2-CD1 4.26Å; F341-F393 AromaticContact CD2-CG 3.85Å; F341-F393 HydrophobicContact CD2-CG 3.85Å; F341-F393 HydrophobicContact CE1-CB 4.47Å; F341-F393 AromaticContact CE1-CD1 3.62Å; F341-F393 HydrophobicContact CE1-CD1 3.62Å; F341-F393 AromaticContact CE1-CE1 3.95Å; F341-F393 HydrophobicContact CE1-CE1 3.95Å; F341-F393 HydrophobicContact CE1-CG 4.01Å; F341-F393 HydrophobicContact CE2-CB 3.75Å; F341-F393 HydrophobicContact CE2-CD1 4.14Å; F341-F393 HydrophobicContact CE2-CG 4.17Å; F341-F393 HydrophobicContact CG-CB 3.47Å; F341-F393 VanDerWaalsContact CG-CB 3.47Å; F341-F393 HydrophobicContact CG-CD1 4.06Å; F341-F393 AromaticContact CG-CD2 3.93Å; F341-F393 HydrophobicContact CG-CD2 3.93Å; F341-F393 AromaticContact CG-CG 3.55Å; F341-F393 HydrophobicContact CG-CG 3.55Å; F341-F393 HydrophobicContact CZ-CB 4.33Å; F341-F393 AromaticContact CZ-CD1 3.84Å; F341-F393 HydrophobicContact CZ-CD1 3.84Å; F341-F393 HydrophobicContact CZ-CG 4.26Å; F341-I517 HydrophobicContact CD1-CD1 4.11Å; F341-I517 HydrophobicContact CD1-CG2 4.22Å; F341-I517 HydrophobicContact CE1-CD1 3.98Å; F341-I517 HydrophobicContact CE1-CG1 4.42Å; F341-I517 HydrophobicContact CE1-CG2 4.04Å; F341-T519 HydrophobicContact CE1-CG2 4.13Å; F341-T519 HydrophobicContact CZ-CG2 3.86Å; F341-I526 HydrophobicContact CE2-CD1 4.43Å; F341-P528 HydrophobicContact CD1-CG 4.46Å; F341-P528 HydrophobicContact CE1-CG 3.96Å; F341-P528 HydrophobicContact CE2-CG 4.4Å; F341-P528 HydrophobicContact CZ-CG 3.93Å
342	A	98.5	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.6	-44.6	173.7	0	0	0	0	0	111.8	A338 M339 G340 W344 L345 L346 T389 F494 M498	A338-A342 WeakPolarHBondContact O-CB 3.19Å; A338-A342 PolarHBondContact O-N 3.49Å; M339-A342 PolarHBondContact O-N 3.33Å; G340-A342 PolarHBondContact O-N 2.87Å; A342-W344 VanDerWaalsContact C-N 3.34Å; A342-W344 PolarHBondContact O-N 3Å; A342-L345 PolarHBondContact O-N 2.84Å; A342-L346 WeakPolarHBondContact O-CB 3.19Å; A342-L346 VanDerWaalsContact O-CG 3.22Å; A342-L346 WeakPolarHBondContact O-CG 3.29Å; A342-L346 PolarHBondContact O-N 3.23Å; A342-T389 HydrophobicContact CB-CG2 3.91Å; A342-F494 HydrophobicContact CB-CE2 3.55Å; A342-F494 HydrophobicContact CB-CZ 3.47Å; A342-F494 VanDerWaalsContact CB-CZ 3.47Å; A342-M498 HydrophobicContact CB-SD 4.16Å
343	S	98.6	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-40.9	179.8	-60	0	0	0	0	111.5	F234 M339 G340 F341 A347	F234-S343 VanDerWaalsContact CE2-OG 3.26Å; F234-S343 WeakPolarHBondContact CE2-OG 3.42Å; F234-S343 WeakPolarHBondContact CZ-OG 3.37Å; M339-S343 WeakPolarHBondContact O-CB 3.43Å; M339-S343 PolarHBondContact O-N 3.38Å; M339-S343 PolarHBondContact O-OG 3.13Å; G340-S343 PolarHBondContact O-N 2.71Å; F341-S343 VanDerWaalsContact C-N 3.33Å; F341-S343 PolarHBondContact O-N 2.93Å; S343-A347 WeakPolarHBondContact O-CB 3.17Å; S343-A347 PolarHBondContact O-N 3.43Å
344	W	98.3	Very high	97.4	Very high	14 Å²	14	25.4 Å²	25.4	5%	0.053	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-48	173.3	178.7	79.9	0	0	0	112.3	G340 F341 A342 L346 A347 K348 F393 Q514 D515 I517 V532	G340-W344 PolarHBondContact O-N 3.02Å; F341-W344 PolarHBondContact O-N 3.3Å; A342-W344 VanDerWaalsContact C-N 3.34Å; A342-W344 PolarHBondContact O-N 3Å; W344-L346 PolarHBondContact O-N 3.49Å; W344-A347 PolarHBondContact O-N 3.38Å; W344-K348 HydrophobicContact CH2-CD 3.96Å; W344-K348 HydrophobicContact CZ2-CD 3.98Å; W344-K348 WeakPolarHBondContact O-CB 3.36Å; W344-K348 PolarHBondContact O-N 3.19Å; W344-F393 HydrophobicContact CE3-CE2 4.4Å; W344-F393 HydrophobicContact CZ3-CE2 4.05Å; W344-F393 HydrophobicContact CZ3-CZ 4.05Å; W344-Q514 PolarHBondContact NE1-O 3.39Å; W344-D515 HydrophobicContact CZ2-CB 4.44Å; W344-D515 VanDerWaalsContact CZ2-OD1 3.26Å; W344-D515 WeakPolarHBondContact CZ2-OD1 3.35Å; W344-I517 HydrophobicContact CB-CD1 4.3Å; W344-I517 HydrophobicContact CD2-CB 3.88Å; W344-I517 HydrophobicContact CD2-CD1 4.29Å; W344-I517 HydrophobicContact CD2-CG2 3.76Å; W344-I517 HydrophobicContact CE3-CB 4.32Å; W344-I517 HydrophobicContact CE3-CG2 3.67Å; W344-I517 HydrophobicContact CG-CB 4.33Å; W344-I517 HydrophobicContact CG-CD1 3.96Å; W344-I517 HydrophobicContact CH2-CB 4.27Å; W344-I517 HydrophobicContact CH2-CG2 3.76Å; W344-I517 HydrophobicContact CZ2-CB 3.79Å; W344-I517 HydrophobicContact CZ2-CG2 3.81Å; W344-I517 VanDerWaalsContact CZ2-N 3.31Å; W344-I517 HydrophobicContact CZ3-CG2 3.68Å; W344-V532 HydrophobicContact CB-CG1 3.81Å
345	L	98.2	Very high	97.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-44.9	177.8	-75.4	168.8	0	0	0	111.7	F341 A342 K348 H349 T389 L392 F393 F441	F341-L345 WeakPolarHBondContact O-CB 3.12Å; F341-L345 VanDerWaalsContact O-CG 3.3Å; F341-L345 WeakPolarHBondContact O-CG 3.28Å; F341-L345 PolarHBondContact O-N 2.92Å; A342-L345 PolarHBondContact O-N 2.84Å; L345-K348 PolarHBondContact O-N 3.36Å; L345-H349 WeakPolarHBondContact O-CB 3.45Å; L345-H349 PolarHBondContact O-CD2 3.02Å; L345-H349 VanDerWaalsContact O-CD2 3.23Å; L345-H349 PolarHBondContact O-N 3.31Å; L345-T389 HydrophobicContact CD1-CG2 4.15Å; L345-L392 HydrophobicContact CD1-CD1 4.42Å; L345-L392 HydrophobicContact CD2-CD1 4.22Å; L345-F393 HydrophobicContact CD1-CD2 4.07Å; L345-F393 HydrophobicContact CD1-CE2 4.13Å; L345-F393 HydrophobicContact CD2-CE2 4.2Å; L345-F393 HydrophobicContact CG-CE2 4.29Å; L345-F441 HydrophobicContact CB-CD1 4.14Å; L345-F441 HydrophobicContact CB-CD2 4.47Å; L345-F441 HydrophobicContact CB-CE1 3.96Å; L345-F441 HydrophobicContact CB-CE2 4.35Å; L345-F441 HydrophobicContact CB-CG 4.37Å; L345-F441 HydrophobicContact CB-CZ 4.09Å; L345-F441 HydrophobicContact CD1-CD2 3.74Å; L345-F441 HydrophobicContact CD1-CE2 3.75Å; L345-F441 HydrophobicContact CD1-CG 4.31Å; L345-F441 HydrophobicContact CD1-CZ 4.29Å; L345-F441 HydrophobicContact CD2-CB 3.87Å; L345-F441 HydrophobicContact CD2-CD1 4.25Å; L345-F441 HydrophobicContact CD2-CD2 4.05Å; L345-F441 HydrophobicContact CD2-CG 3.8Å; L345-F441 HydrophobicContact CG-CD2 4.31Å; L345-F441 HydrophobicContact CG-CE2 4.48Å; L345-F441 HydrophobicContact CG-CG 4.39Å
346	L	98.5	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69	-35.3	178.7	-70.1	167.6	0	0	0	112.3	A342 W344 K348 H349 V352 Q353 L356 V385 L502 L507	A342-L346 WeakPolarHBondContact O-CB 3.19Å; A342-L346 VanDerWaalsContact O-CG 3.22Å; A342-L346 WeakPolarHBondContact O-CG 3.29Å; A342-L346 PolarHBondContact O-N 3.23Å; W344-L346 PolarHBondContact O-N 3.49Å; L346-K348 VanDerWaalsContact C-N 3.34Å; L346-H349 CarbonylContact O-C 3.44Å; L346-V352 HydrophobicContact CD2-CG1 4Å; L346-Q353 HydrophobicContact CB-CB 4.42Å; L346-Q353 HydrophobicContact CB-CG 4.36Å; L346-Q353 HydrophobicContact CD2-CB 4.38Å; L346-Q353 WeakPolarHBondContact O-CB 2.93Å; L346-Q353 PolarHBondContact O-NE2 3.08Å; L346-L356 HydrophobicContact CD1-CD2 4.36Å; L346-L356 HydrophobicContact CD2-CD2 4.17Å; L346-V385 HydrophobicContact CD1-CG1 4.45Å; L346-V385 HydrophobicContact CD2-CG1 4.24Å; L346-L502 HydrophobicContact CD1-CD1 4.05Å; L346-L502 HydrophobicContact CD1-CD2 4.44Å; L346-L507 HydrophobicContact CB-CD1 4.4Å
347	A	98.2	Very high	97.6	Very high	3 Å²	3	28.2 Å²	28.2	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-37.7	173.9	0	0	0	0	0	112.2	S343 W344 L507 L509 L534	S343-A347 WeakPolarHBondContact O-CB 3.17Å; S343-A347 PolarHBondContact O-N 3.43Å; W344-A347 PolarHBondContact O-N 3.38Å; A347-L507 HydrophobicContact CB-CB 3.95Å; A347-L509 HydrophobicContact CB-CD2 3.82Å; A347-L509 HydrophobicContact CB-CG 4.26Å; A347-L534 HydrophobicContact CB-CD1 4.27Å; A347-L534 HydrophobicContact CB-CD2 3.64Å
348	K	97.5	Very high	97.6	Very high	80 Å²	80	32.8 Å²	32.8	35%	0.348	16%	0.156	S	C	.	.	H	α-helix	trans	-71.2	-45.8	176.1	-175.9	173.1	179.5	168.4	0	112.4	W344 L345 L346 R350 L509 D515	W344-K348 HydrophobicContact CH2-CD 3.96Å; W344-K348 HydrophobicContact CZ2-CD 3.98Å; W344-K348 WeakPolarHBondContact O-CB 3.36Å; W344-K348 PolarHBondContact O-N 3.19Å; L345-K348 PolarHBondContact O-N 3.36Å; L346-K348 VanDerWaalsContact C-N 3.34Å; K348-R350 PolarHBondContact O-N 2.97Å; K348-L509 HydrophobicContact CB-CD1 3.95Å; K348-L509 HydrophobicContact CB-CG 4.46Å; K348-L509 HydrophobicContact CG-CD1 4.18Å; K348-D515 WeakPolarHBondContact CE-OD1 3.25Å; K348-D515 WeakPolarHBondContact CE-OD2 2.95Å; K348-D515 IonicContact NZ-OD1 2.72Å; K348-D515 PolarHBondContact NZ-OD1 3.32Å; K348-D515 IonicContact NZ-OD2 3.4Å; K348-D515 PolarHBondContact NZ-OD2 2.81Å
349	H	97.8	Very high	97.5	Very high	38 Å²	38	34 Å²	34	18%	0.176	16%	0.161	C	C	.	.			trans	-102	74	-175.6	-61.7	-84.4	0	0	0	111.3	L345 L346 N351 V352 Q353 F441	L345-H349 WeakPolarHBondContact O-CB 3.45Å; L345-H349 PolarHBondContact O-CD2 3.02Å; L345-H349 VanDerWaalsContact O-CD2 3.23Å; L345-H349 PolarHBondContact O-N 3.31Å; L346-H349 CarbonylContact O-C 3.44Å; H349-N351 PolarHBondContact O-N 2.87Å; H349-V352 HydrophobicContact CB-CB 4.11Å; H349-V352 HydrophobicContact CB-CG2 3.97Å; H349-V352 WeakPolarHBondContact O-CB 3.33Å; H349-V352 PolarHBondContact O-N 2.81Å; H349-Q353 PolarHBondContact O-N 3.01Å; H349-Q353 VanDerWaalsContact O-N 3.07Å; H349-F441 HydrophobicContact CB-CD1 4.19Å; H349-F441 AromaticContact CD2-CD1 3.57Å; H349-F441 AromaticContact CG-CD1 3.92Å
350	R	96.2	Very high	97.3	Very high	153 Å²	153	34 Å²	34	58%	0.577	16%	0.161	S	C	*	.	H	α-helix	trans	-55.6	-35.4	-175.9	-71.1	-172.9	172.5	-175.2	-1.7	113.8	K348 V352 Q353 S354 S508	K348-R350 PolarHBondContact O-N 2.97Å; R350-V352 PolarHBondContact O-N 3.31Å; R350-Q353 WeakPolarHBondContact O-CB 3.31Å; R350-Q353 PolarHBondContact O-N 3.28Å; R350-S354 PolarHBondContact O-N 3.39Å; R350-S354 PolarHBondContact O-OG 2.8Å; R350-S508 PolarHBondContact NH2-OG 3.49Å
351	N	97	Very high	97.1	Very high	116 Å²	116	35.4 Å²	35.4	62%	0.62	17%	0.168	S	C	*	.	H	α-helix	trans	-60.3	-42.5	174.6	61.4	-44.7	0	0	0	112.4	H349 K355	H349-N351 PolarHBondContact O-N 2.87Å; N351-K355 WeakPolarHBondContact O-CB 3.27Å; N351-K355 PolarHBondContact O-N 3.39Å
352	V	97.5	Very high	96.8	Very high	5 Å²	5	41 Å²	41	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-41.6	175.4	177.1	0	0	0	0	110.3	L346 H349 R350 K355 L356 F381 V385 F441 P443	L346-V352 HydrophobicContact CD2-CG1 4Å; H349-V352 HydrophobicContact CB-CB 4.11Å; H349-V352 HydrophobicContact CB-CG2 3.97Å; H349-V352 WeakPolarHBondContact O-CB 3.33Å; H349-V352 PolarHBondContact O-N 2.81Å; R350-V352 PolarHBondContact O-N 3.31Å; V352-K355 PolarHBondContact O-N 2.97Å; V352-L356 WeakPolarHBondContact O-CB 3.45Å; V352-L356 PolarHBondContact O-N 2.86Å; V352-F381 HydrophobicContact CG1-CE1 4.01Å; V352-F381 HydrophobicContact CG1-CZ 3.94Å; V352-V385 HydrophobicContact CG1-CG2 3.99Å; V352-F441 HydrophobicContact CB-CE1 4.33Å; V352-F441 HydrophobicContact CG1-CE1 3.82Å; V352-F441 HydrophobicContact CG1-CZ 4.41Å; V352-F441 HydrophobicContact CG2-CE1 4.38Å; V352-P443 HydrophobicContact CG1-CG 3.88Å
353	Q	98.3	Very high	96.5	Very high	6 Å²	6	42 Å²	42	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-49.1	176.7	-166.7	-172.5	148.5	0	0	112.1	L346 H349 R350 L356 Q357 L502 N506 L507	L346-Q353 HydrophobicContact CB-CB 4.42Å; L346-Q353 HydrophobicContact CB-CG 4.36Å; L346-Q353 HydrophobicContact CD2-CB 4.38Å; L346-Q353 WeakPolarHBondContact O-CB 2.93Å; L346-Q353 PolarHBondContact O-NE2 3.08Å; H349-Q353 PolarHBondContact O-N 3.01Å; H349-Q353 VanDerWaalsContact O-N 3.07Å; R350-Q353 WeakPolarHBondContact O-CB 3.31Å; R350-Q353 PolarHBondContact O-N 3.28Å; Q353-L356 PolarHBondContact O-N 3.26Å; Q353-Q357 WeakPolarHBondContact O-CB 3.48Å; Q353-Q357 VanDerWaalsContact O-CG 3.29Å; Q353-Q357 WeakPolarHBondContact O-CG 3.06Å; Q353-Q357 PolarHBondContact O-N 3.48Å; Q353-L502 HydrophobicContact CG-CD2 3.85Å; Q353-N506 VanDerWaalsContact OE1-CA 3.29Å; Q353-L507 PolarHBondContact NE2-O 3.38Å
354	S	97.1	Very high	96.1	Very high	67 Å²	67	43 Å²	43	47%	0.469	20%	0.204	S	C	.	.	H	α-helix	trans	-62.5	-42.8	178.3	-61.8	0	0	0	0	112.1	R350 L356 Q357 E358	R350-S354 PolarHBondContact O-N 3.39Å; R350-S354 PolarHBondContact O-OG 2.8Å; S354-L356 PolarHBondContact O-N 3.05Å; S354-Q357 WeakPolarHBondContact O-CB 3.27Å; S354-Q357 PolarHBondContact O-N 3.37Å; S354-E358 WeakPolarHBondContact O-CB 3.38Å; S354-E358 PolarHBondContact O-N 3.41Å
355	K	96.3	Very high	95.6	Very high	90 Å²	90	46.5 Å²	46.5	39%	0.391	23%	0.23	S	C	.	.	H	α-helix	trans	-62.8	-41.2	176.4	-178	173.2	170.3	-175.9	0	112.4	N351 V352 E358 E359 F381 E444	N351-K355 WeakPolarHBondContact O-CB 3.27Å; N351-K355 PolarHBondContact O-N 3.39Å; V352-K355 PolarHBondContact O-N 2.97Å; K355-E358 PolarHBondContact O-N 3.25Å; K355-E359 PolarHBondContact O-N 2.94Å; K355-F381 HydrophobicContact CB-CE1 3.9Å; K355-F381 HydrophobicContact CB-CZ 4.3Å; K355-F381 HydrophobicContact CD-CD1 4.5Å; K355-F381 HydrophobicContact CD-CE1 3.87Å; K355-F381 HydrophobicContact CD-CE2 3.93Å; K355-F381 HydrophobicContact CD-CZ 3.55Å; K355-F381 HydrophobicContact CG-CD1 4.07Å; K355-F381 HydrophobicContact CG-CE1 3.67Å; K355-F381 HydrophobicContact CG-CZ 3.92Å; K355-E444 IonicContact NZ-OE1 2.9Å; K355-E444 PolarHBondContact NZ-OE1 3.44Å
356	L	96.9	Very high	95.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.5	-42.2	175.4	178.3	57.1	0	0	0	111.8	L346 V352 Q353 S354 E358 E359 I360 F381 L382 V385 L502	L346-L356 HydrophobicContact CD1-CD2 4.36Å; L346-L356 HydrophobicContact CD2-CD2 4.17Å; V352-L356 WeakPolarHBondContact O-CB 3.45Å; V352-L356 PolarHBondContact O-N 2.86Å; Q353-L356 PolarHBondContact O-N 3.26Å; S354-L356 PolarHBondContact O-N 3.05Å; L356-E358 VanDerWaalsContact C-N 3.27Å; L356-E358 PolarHBondContact O-N 2.97Å; L356-E359 PolarHBondContact O-N 3.46Å; L356-I360 HydrophobicContact CD1-CD1 4.07Å; L356-I360 HydrophobicContact CD1-CG1 4.21Å; L356-I360 HydrophobicContact CG-CD1 3.87Å; L356-I360 HydrophobicContact CG-CG1 4.48Å; L356-I360 WeakPolarHBondContact O-CD1 3.42Å; L356-I360 WeakPolarHBondContact O-CG1 3.23Å; L356-I360 PolarHBondContact O-N 3.28Å; L356-F381 HydrophobicContact CB-CD1 3.93Å; L356-F381 HydrophobicContact CB-CE1 4Å; L356-F381 HydrophobicContact CD1-CD1 4.17Å; L356-L382 HydrophobicContact CD1-CB 3.73Å; L356-L382 HydrophobicContact CD1-CD1 4Å; L356-L382 HydrophobicContact CD1-CG 4.44Å; L356-L382 HydrophobicContact CD2-CD1 4.11Å; L356-V385 HydrophobicContact CD2-CB 4.35Å; L356-V385 HydrophobicContact CD2-CG1 4.15Å; L356-V385 HydrophobicContact CD2-CG2 4.15Å; L356-L502 HydrophobicContact CD2-CD1 3.34Å; L356-L502 HydrophobicContact CG-CD1 3.8Å
357	Q	97.3	Very high	94.5	Very high	10 Å²	10	54 Å²	54	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-38.9	174	-78.2	175.8	-11.1	0	0	112.2	Q353 S354 I360 D361 L502 Y505 N506	Q353-Q357 WeakPolarHBondContact O-CB 3.48Å; Q353-Q357 VanDerWaalsContact O-CG 3.29Å; Q353-Q357 WeakPolarHBondContact O-CG 3.06Å; Q353-Q357 PolarHBondContact O-N 3.48Å; S354-Q357 WeakPolarHBondContact O-CB 3.27Å; S354-Q357 PolarHBondContact O-N 3.37Å; Q357-I360 PolarHBondContact O-N 2.77Å; Q357-D361 PolarHBondContact O-N 2.85Å; Q357-L502 HydrophobicContact CG-CB 4.02Å; Q357-Y505 PolarHBondContact NE2-O 3.42Å; Q357-N506 PolarHBondContact NE2-OD1 3.46Å; Q357-N506 PolarHBondContact OE1-OD1 2.94Å
358	E	95.6	Very high	93.7	Very high	97 Å²	97	57.6 Å²	57.6	45%	0.453	30%	0.3	S	S	.	.	H	α-helix	trans	-66.9	-43.2	175.9	-169	-176.9	179.7	0	0	112.2	S354 K355 L356 I360 D361 K362	S354-E358 WeakPolarHBondContact O-CB 3.38Å; S354-E358 PolarHBondContact O-N 3.41Å; K355-E358 PolarHBondContact O-N 3.25Å; L356-E358 VanDerWaalsContact C-N 3.27Å; L356-E358 PolarHBondContact O-N 2.97Å; E358-I360 VanDerWaalsContact C-N 3.33Å; E358-I360 PolarHBondContact O-N 3.05Å; E358-D361 PolarHBondContact O-N 3.38Å; E358-K362 HydrophobicContact CG-CD 4.18Å; E358-K362 WeakPolarHBondContact O-CB 3.08Å; E358-K362 WeakPolarHBondContact O-CG 3.47Å; E358-K362 PolarHBondContact O-N 2.76Å; E358-K362 WeakPolarHBondContact OE1-CE 3.42Å; E358-K362 IonicContact OE1-NZ 2.63Å; E358-K362 PolarHBondContact OE1-NZ 2.83Å
359	E	94.8	Very high	93	Very high	31 Å²	31	62 Å²	62	15%	0.145	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-47.5	171.7	179.3	-176.8	-113	0	0	110.8	K355 L356 T363 P380 F381 L382	K355-E359 PolarHBondContact O-N 2.94Å; L356-E359 PolarHBondContact O-N 3.46Å; E359-T363 VanDerWaalsContact O-CB 3.3Å; E359-T363 WeakPolarHBondContact O-CB 3.24Å; E359-T363 PolarHBondContact O-N 3.13Å; E359-T363 PolarHBondContact O-OG1 2.89Å; E359-P380 WeakPolarHBondContact OE1-CD 3.29Å; E359-P380 WeakPolarHBondContact OE1-CG 3.34Å; E359-F381 VanDerWaalsContact CD-CB 3.45Å; E359-F381 WeakPolarHBondContact OE1-CA 3.38Å; E359-F381 WeakPolarHBondContact OE1-CB 3.28Å; E359-F381 PolarHBondContact OE1-N 2.88Å; E359-F381 WeakPolarHBondContact OE2-CB 3.48Å; E359-F381 PolarHBondContact OE2-N 2.96Å; E359-L382 PolarHBondContact OE2-N 2.69Å
360	I	94.5	Very high	92.3	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-50.7	-179.3	-67.9	163.1	0	0	0	110.3	L356 Q357 E358 T363 F364 M379 I499 L502 R503	L356-I360 HydrophobicContact CD1-CD1 4.07Å; L356-I360 HydrophobicContact CD1-CG1 4.21Å; L356-I360 HydrophobicContact CG-CD1 3.87Å; L356-I360 HydrophobicContact CG-CG1 4.48Å; L356-I360 WeakPolarHBondContact O-CD1 3.42Å; L356-I360 WeakPolarHBondContact O-CG1 3.23Å; L356-I360 PolarHBondContact O-N 3.28Å; Q357-I360 PolarHBondContact O-N 2.77Å; E358-I360 VanDerWaalsContact C-N 3.33Å; E358-I360 PolarHBondContact O-N 3.05Å; I360-T363 PolarHBondContact O-N 3.3Å; I360-F364 HydrophobicContact CG2-CD2 3.85Å; I360-F364 HydrophobicContact CG2-CE2 4.07Å; I360-F364 VanDerWaalsContact O-CD2 3.32Å; I360-F364 WeakPolarHBondContact O-CD2 3.37Å; I360-F364 PolarHBondContact O-N 3.28Å; I360-M379 HydrophobicContact CG1-SD 4.31Å; I360-I499 HydrophobicContact CD1-CG1 4.3Å; I360-I499 HydrophobicContact CG1-CG1 4.24Å; I360-I499 HydrophobicContact CG2-CG2 4.07Å; I360-L502 HydrophobicContact CD1-CB 4Å; I360-L502 HydrophobicContact CD1-CD1 4.04Å; I360-R503 HydrophobicContact CG2-CG 3.4Å
361	D	93.5	Very high	91.6	Very high	29 Å²	29	63 Å²	63	16%	0.155	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-47.9	-178.8	-73.6	-13.5	0	0	0	111.9	Q357 E358 T363 F364 S365 R539	Q357-D361 PolarHBondContact O-N 2.85Å; E358-D361 PolarHBondContact O-N 3.38Å; D361-T363 VanDerWaalsContact C-N 3.35Å; D361-T363 PolarHBondContact O-N 3.43Å; D361-F364 PolarHBondContact O-N 3.02Å; D361-S365 WeakPolarHBondContact O-CB 3.48Å; D361-S365 PolarHBondContact O-N 3.46Å; D361-S365 PolarHBondContact O-OG 2.72Å; D361-R539 IonicContact OD1-CZ 3.9Å; D361-R539 IonicContact OD1-NH1 3.53Å; D361-R539 PolarHBondContact OD1-NH1 3.12Å; D361-R539 IonicContact OD2-CZ 3.15Å; D361-R539 IonicContact OD2-NH1 2.66Å; D361-R539 PolarHBondContact OD2-NH1 3.05Å; D361-R539 IonicContact OD2-NH2 2.64Å; D361-R539 PolarHBondContact OD2-NH2 3.25Å
362	K	92.4	Very high	91	Very high	117 Å²	117	59 Å²	59	51%	0.509	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-45.4	177.9	-74.3	178.9	-177.5	172.2	0	111.7	E358 S365 N366	E358-K362 HydrophobicContact CG-CD 4.18Å; E358-K362 WeakPolarHBondContact O-CB 3.08Å; E358-K362 WeakPolarHBondContact O-CG 3.47Å; E358-K362 PolarHBondContact O-N 2.76Å; E358-K362 WeakPolarHBondContact OE1-CE 3.42Å; E358-K362 IonicContact OE1-NZ 2.63Å; E358-K362 PolarHBondContact OE1-NZ 2.83Å; K362-S365 PolarHBondContact O-N 2.93Å; K362-N366 WeakPolarHBondContact O-CB 3.36Å; K362-N366 PolarHBondContact O-N 3.36Å; K362-N366 PolarHBondContact O-ND2 3.02Å; K362-N366 PolarHBondContact O-OD1 3.08Å
363	T	91.8	Very high	90.3	Very high	21 Å²	21	59.8 Å²	59.8	13%	0.129	32%	0.317	C	S	.	.	H	α-helix	trans	-68.4	-40.4	-176.5	-47.3	0	0	0	0	111.3	E359 I360 D361 N367 I375 M379	E359-T363 VanDerWaalsContact O-CB 3.3Å; E359-T363 WeakPolarHBondContact O-CB 3.24Å; E359-T363 PolarHBondContact O-N 3.13Å; E359-T363 PolarHBondContact O-OG1 2.89Å; I360-T363 PolarHBondContact O-N 3.3Å; D361-T363 VanDerWaalsContact C-N 3.35Å; D361-T363 PolarHBondContact O-N 3.43Å; T363-N367 WeakPolarHBondContact O-CB 3.49Å; T363-N367 PolarHBondContact O-N 2.99Å; T363-N367 PolarHBondContact O-ND2 3.48Å; T363-I375 HydrophobicContact CG2-CG2 3.58Å; T363-M379 HydrophobicContact CG2-CE 3.94Å; T363-M379 HydrophobicContact CG2-CG 4.15Å
364	F	90	Very high	89.6	Confident	23 Å²	23	62.8 Å²	62.8	10%	0.101	33%	0.331	C	S	.	.	H	α-helix	trans	-71.3	-35.3	175.9	-87.2	-88.4	0	0	0	113.1	I360 D361 A368 E372 I375 M379 I499	I360-F364 HydrophobicContact CG2-CD2 3.85Å; I360-F364 HydrophobicContact CG2-CE2 4.07Å; I360-F364 VanDerWaalsContact O-CD2 3.32Å; I360-F364 WeakPolarHBondContact O-CD2 3.37Å; I360-F364 PolarHBondContact O-N 3.28Å; D361-F364 PolarHBondContact O-N 3.02Å; F364-A368 PolarHBondContact O-N 3.32Å; F364-E372 HydrophobicContact CE1-CB 4.48Å; F364-E372 HydrophobicContact CE1-CG 4.2Å; F364-E372 HydrophobicContact CZ-CG 4.03Å; F364-I375 HydrophobicContact CD1-CD1 3.94Å; F364-I375 HydrophobicContact CD2-CG2 4.36Å; F364-I375 HydrophobicContact CE1-CD1 4.05Å; F364-I375 HydrophobicContact CE2-CG2 4.35Å; F364-M379 HydrophobicContact CD2-CE 3.64Å; F364-M379 HydrophobicContact CE2-CE 3.38Å; F364-M379 HydrophobicContact CZ-CE 4.38Å; F364-I499 HydrophobicContact CD2-CG2 4.44Å; F364-I499 HydrophobicContact CE2-CD1 4.27Å; F364-I499 HydrophobicContact CE2-CG2 3.38Å; F364-I499 HydrophobicContact CZ-CG2 3.65Å
365	S	88.5	Confident	89	Confident	87 Å²	87	59.8 Å²	59.8	61%	0.608	31%	0.309	S	S	*	.	H	α-helix	trans	-66.5	-42.3	175	-70.5	0	0	0	0	112	D361 K362 N367	D361-S365 WeakPolarHBondContact O-CB 3.48Å; D361-S365 PolarHBondContact O-N 3.46Å; D361-S365 PolarHBondContact O-OG 2.72Å; K362-S365 PolarHBondContact O-N 2.93Å; S365-N367 VanDerWaalsContact C-N 3.26Å; S365-N367 PolarHBondContact O-N 3.4Å
366	N	87.6	Confident	88.5	Confident	130 Å²	130	55.7 Å²	55.7	70%	0.695	29%	0.292	S	S	*	.	H	α-helix	trans	-74	-13.8	-178.8	-67.1	-3.6	0	0	0	114	K362	K362-N366 WeakPolarHBondContact O-CB 3.36Å; K362-N366 PolarHBondContact O-N 3.36Å; K362-N366 PolarHBondContact O-ND2 3.02Å; K362-N366 PolarHBondContact O-OD1 3.08Å
367	N	85.5	Confident	87.7	Confident	31 Å²	31	60.9 Å²	60.9	17%	0.166	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	37.8	-175.8	-57.3	-90.9	0	0	0	110.7	T363 S365 D369 E370 I375 R378	T363-N367 WeakPolarHBondContact O-CB 3.49Å; T363-N367 PolarHBondContact O-N 2.99Å; T363-N367 PolarHBondContact O-ND2 3.48Å; S365-N367 VanDerWaalsContact C-N 3.26Å; S365-N367 PolarHBondContact O-N 3.4Å; N367-D369 PolarHBondContact O-N 3.13Å; N367-D369 VanDerWaalsContact O-N 3.12Å; N367-E370 HydrophobicContact CB-CB 4.09Å; N367-E370 HydrophobicContact CB-CG 4Å; N367-E370 PolarHBondContact O-N 3.45Å; N367-E370 PolarHBondContact OD1-OE1 3.47Å; N367-I375 HydrophobicContact CB-CD1 3.99Å; N367-I375 HydrophobicContact CB-CG1 3.96Å; N367-I375 WeakPolarHBondContact O-CD1 3.41Å; N367-R378 PolarHBondContact OD1-NH1 2.86Å
368	A	80.5	Confident	87	Confident	79 Å²	79	66.7 Å²	66.7	65%	0.653	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.6	-174.5	0	0	0	0	0	113.7	F364	F364-A368 PolarHBondContact O-N 3.32Å
369	D	83	Confident	86.7	Confident	172 Å²	172	62.2 Å²	62.2	92%	0.92	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.3	179	-60.1	-40.2	0	0	0	113.8	N367	N367-D369 PolarHBondContact O-N 3.13Å; N367-D369 VanDerWaalsContact O-N 3.12Å
370	E	83.7	Confident	86.5	Confident	59 Å²	59	64 Å²	64	28%	0.276	33%	0.331	S	S	.	.	S	Bend	trans	-85.7	154.6	-178.9	-63.3	-164.6	178.8	0	0	112.2	N367 I375 R378	N367-E370 HydrophobicContact CB-CB 4.09Å; N367-E370 HydrophobicContact CB-CG 4Å; N367-E370 PolarHBondContact O-N 3.45Å; N367-E370 PolarHBondContact OD1-OE1 3.47Å; E370-I375 HydrophobicContact CB-CD1 4.25Å; E370-I375 HydrophobicContact CB-CG1 3.92Å; E370-R378 VanDerWaalsContact CD-NH1 3.28Å; E370-R378 IonicContact OE1-CZ 2.79Å; E370-R378 IonicContact OE1-NH1 2.59Å; E370-R378 PolarHBondContact OE1-NH1 2.76Å; E370-R378 IonicContact OE1-NH2 2.77Å; E370-R378 PolarHBondContact OE1-NH2 2.86Å; E370-R378 IonicContact OE2-CZ 2.66Å; E370-R378 IonicContact OE2-NH1 3.12Å; E370-R378 PolarHBondContact OE2-NH1 3.45Å; E370-R378 IonicContact OE2-NH2 3.01Å; E370-R378 PolarHBondContact OE2-NH2 3.38Å; E370-R378 VanDerWaalsContact OE2-NH2 3.09Å
371	K	82.7	Confident	86.5	Confident	152 Å²	152	64.5 Å²	64.5	66%	0.661	33%	0.333	S	S	*	.			trans	-70.8	137.3	174.2	-69.2	176.6	-177.7	169.1	0	109.5	F373 E374 I375	K371-F373 PolarHBondContact O-N 3.27Å; K371-E374 WeakPolarHBondContact O-CB 3.44Å; K371-E374 PolarHBondContact O-N 2.96Å; K371-I375 PolarHBondContact O-N 2.86Å
372	E	83.7	Confident	86.6	Confident	34 Å²	34	63.1 Å²	63.1	16%	0.159	33%	0.326	C	S	.	.	H	α-helix	trans	-47.6	-38.7	-179.8	174.4	164.4	-154.7	0	0	113.9	L208 F364 E374 I375 I376 H500	L208-E372 WeakPolarHBondContact CD2-OE2 3.35Å; F364-E372 HydrophobicContact CE1-CB 4.48Å; F364-E372 HydrophobicContact CE1-CG 4.2Å; F364-E372 HydrophobicContact CZ-CG 4.03Å; E372-E374 VanDerWaalsContact C-N 3.32Å; E372-E374 PolarHBondContact O-N 2.9Å; E372-I375 PolarHBondContact O-N 3.05Å; E372-I376 HydrophobicContact CG-CD1 3.71Å; E372-I376 HydrophobicContact CG-CG1 4.37Å; E372-I376 VanDerWaalsContact O-CD1 3.29Å; E372-I376 WeakPolarHBondContact O-CD1 3.39Å; E372-I376 WeakPolarHBondContact O-CG1 3.31Å; E372-I376 PolarHBondContact O-N 3.1Å; E372-H500 VanDerWaalsContact CD-NE2 3.33Å; E372-H500 IonicContact OE1-CD2 3.03Å; E372-H500 PolarHBondContact OE1-CD2 3.33Å; E372-H500 VanDerWaalsContact OE1-CD2 3.27Å; E372-H500 IonicContact OE1-CE1 3.27Å; E372-H500 IonicContact OE1-NE2 2.65Å; E372-H500 PolarHBondContact OE1-NE2 3.46Å; E372-H500 IonicContact OE2-CE1 3.87Å; E372-H500 IonicContact OE2-NE2 2.75Å; E372-H500 PolarHBondContact OE2-NE2 3.32Å
373	F	82.8	Confident	86.6	Confident	21 Å²	21	58.7 Å²	58.7	9%	0.092	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-38.4	176.3	-176.3	-88.9	0	0	0	113.9	R201 A204 K371 I492	R201-F373 HydrophobicContact CG-CD1 3.62Å; R201-F373 HydrophobicContact CG-CD2 4.37Å; R201-F373 HydrophobicContact CG-CE1 3.4Å; R201-F373 VanDerWaalsContact CG-CE1 3.4Å; R201-F373 HydrophobicContact CG-CE2 4.16Å; R201-F373 HydrophobicContact CG-CG 4.11Å; R201-F373 HydrophobicContact CG-CZ 3.69Å; A204-F373 HydrophobicContact CB-CD2 3.53Å; A204-F373 HydrophobicContact CB-CE2 4.06Å; K371-F373 PolarHBondContact O-N 3.27Å; F373-I492 HydrophobicContact CE2-CD1 3.7Å; F373-I492 HydrophobicContact CE2-CG1 4.08Å; F373-I492 HydrophobicContact CE2-CG2 4.38Å; F373-I492 HydrophobicContact CZ-CD1 4.21Å
374	E	82.6	Confident	86.7	Confident	69 Å²	69	57.7 Å²	57.7	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-73.6	-34.5	-179.4	-66.1	167.7	-177.2	0	0	110.9	K371 E372	K371-E374 WeakPolarHBondContact O-CB 3.44Å; K371-E374 PolarHBondContact O-N 2.96Å; E372-E374 VanDerWaalsContact C-N 3.32Å; E372-E374 PolarHBondContact O-N 2.9Å
375	I	86.4	Confident	87	Confident	3 Å²	3	56.6 Å²	56.6	2%	0.015	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-42	176.2	-54.1	179	0	0	0	110.7	T363 F364 N367 E370 K371 E372 E377 R378 M379	T363-I375 HydrophobicContact CG2-CG2 3.58Å; F364-I375 HydrophobicContact CD1-CD1 3.94Å; F364-I375 HydrophobicContact CD2-CG2 4.36Å; F364-I375 HydrophobicContact CE1-CD1 4.05Å; F364-I375 HydrophobicContact CE2-CG2 4.35Å; N367-I375 HydrophobicContact CB-CD1 3.99Å; N367-I375 HydrophobicContact CB-CG1 3.96Å; N367-I375 WeakPolarHBondContact O-CD1 3.41Å; E370-I375 HydrophobicContact CB-CD1 4.25Å; E370-I375 HydrophobicContact CB-CG1 3.92Å; K371-I375 PolarHBondContact O-N 2.86Å; E372-I375 PolarHBondContact O-N 3.05Å; I375-E377 VanDerWaalsContact C-N 3.27Å; I375-E377 PolarHBondContact O-N 2.93Å; I375-R378 PolarHBondContact O-N 3.05Å; I375-M379 HydrophobicContact CG2-CE 3.57Å
376	I	85.6	Confident	87.3	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-59.7	-35.3	-176.3	-74.2	159.1	0	0	0	113.1	E372 R378 K495 I496 I499	E372-I376 HydrophobicContact CG-CD1 3.71Å; E372-I376 HydrophobicContact CG-CG1 4.37Å; E372-I376 VanDerWaalsContact O-CD1 3.29Å; E372-I376 WeakPolarHBondContact O-CD1 3.39Å; E372-I376 WeakPolarHBondContact O-CG1 3.31Å; E372-I376 PolarHBondContact O-N 3.1Å; I376-R378 PolarHBondContact O-N 3.27Å; I376-K495 HydrophobicContact CG2-CB 3.63Å; I376-K495 HydrophobicContact CG2-CD 3.75Å; I376-K495 HydrophobicContact CG2-CG 4.3Å; I376-I496 HydrophobicContact CD1-CB 4.37Å; I376-I496 HydrophobicContact CD1-CD1 4.22Å; I376-I496 HydrophobicContact CD1-CG1 3.3Å; I376-I499 HydrophobicContact CD1-CD1 4.31Å; I376-I499 HydrophobicContact CG1-CD1 3.52Å
377	E	79.5	Confident	87.7	Confident	110 Å²	110	49.1 Å²	49.1	51%	0.514	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.8	179.6	-67	-173.8	158.2	0	0	112.3	I375	I375-E377 VanDerWaalsContact C-N 3.27Å; I375-E377 PolarHBondContact O-N 2.93Å
378	R	81.9	Confident	88.1	Confident	132 Å²	132	47.6 Å²	47.6	50%	0.498	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	19.2	-176	-55.8	-177.9	-167.9	165.9	10	114.5	N367 E370 I375 I376 P380	N367-R378 PolarHBondContact OD1-NH1 2.86Å; E370-R378 VanDerWaalsContact CD-NH1 3.28Å; E370-R378 IonicContact OE1-CZ 2.79Å; E370-R378 IonicContact OE1-NH1 2.59Å; E370-R378 PolarHBondContact OE1-NH1 2.76Å; E370-R378 IonicContact OE1-NH2 2.77Å; E370-R378 PolarHBondContact OE1-NH2 2.86Å; E370-R378 IonicContact OE2-CZ 2.66Å; E370-R378 IonicContact OE2-NH1 3.12Å; E370-R378 PolarHBondContact OE2-NH1 3.45Å; E370-R378 IonicContact OE2-NH2 3.01Å; E370-R378 PolarHBondContact OE2-NH2 3.38Å; E370-R378 VanDerWaalsContact OE2-NH2 3.09Å; I375-R378 PolarHBondContact O-N 3.05Å; I376-R378 PolarHBondContact O-N 3.27Å; R378-P380 WeakPolarHBondContact O-CD 3.37Å
379	M	89.8	Confident	88.9	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.015	21%	0.206	C	C	.	.			trans	-108.8	86.8	-178.8	-64.1	-173.5	-178.4	0	0	112.2	I360 T363 F364 I375 F381 L382 D383 I499	I360-M379 HydrophobicContact CG1-SD 4.31Å; T363-M379 HydrophobicContact CG2-CE 3.94Å; T363-M379 HydrophobicContact CG2-CG 4.15Å; F364-M379 HydrophobicContact CD2-CE 3.64Å; F364-M379 HydrophobicContact CE2-CE 3.38Å; F364-M379 HydrophobicContact CZ-CE 4.38Å; I375-M379 HydrophobicContact CG2-CE 3.57Å; M379-F381 PolarHBondContact O-N 3.16Å; M379-L382 HydrophobicContact CB-CB 3.72Å; M379-L382 HydrophobicContact CB-CD2 4.2Å; M379-L382 PolarHBondContact O-N 2.95Å; M379-L382 HydrophobicContact SD-CD2 3.79Å; M379-D383 PolarHBondContact O-N 3.13Å; M379-I499 HydrophobicContact CE-CD1 4.08Å; M379-I499 HydrophobicContact SD-CD1 3.69Å; M379-I499 HydrophobicContact SD-CG1 4.1Å
380	P	90.4	Very high	89.5	Confident	67 Å²	67	35.9 Å²	35.9	44%	0.435	16%	0.164	S	C	.	.	H	α-helix	trans	-65.6	-35	-174.3	25.4	-35	0	0	0	113.9	E359 R378 D383 A384	E359-P380 WeakPolarHBondContact OE1-CD 3.29Å; E359-P380 WeakPolarHBondContact OE1-CG 3.34Å; R378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-D383 PolarHBondContact O-N 3.48Å; P380-A384 WeakPolarHBondContact O-CB 3.34Å; P380-A384 PolarHBondContact O-N 3.15Å
381	F	94.7	Very high	90	Very high	12 Å²	12	33 Å²	33	5%	0.053	15%	0.15	C	C	.	.	H	α-helix	trans	-75.9	-36.4	179.5	-165.6	-111	0	0	0	111.7	V352 K355 L356 E359 M379 D383 A384 V385 P443 E444	V352-F381 HydrophobicContact CG1-CE1 4.01Å; V352-F381 HydrophobicContact CG1-CZ 3.94Å; K355-F381 HydrophobicContact CB-CE1 3.9Å; K355-F381 HydrophobicContact CB-CZ 4.3Å; K355-F381 HydrophobicContact CD-CD1 4.5Å; K355-F381 HydrophobicContact CD-CE1 3.87Å; K355-F381 HydrophobicContact CD-CE2 3.93Å; K355-F381 HydrophobicContact CD-CZ 3.55Å; K355-F381 HydrophobicContact CG-CD1 4.07Å; K355-F381 HydrophobicContact CG-CE1 3.67Å; K355-F381 HydrophobicContact CG-CZ 3.92Å; L356-F381 HydrophobicContact CB-CD1 3.93Å; L356-F381 HydrophobicContact CB-CE1 4Å; L356-F381 HydrophobicContact CD1-CD1 4.17Å; E359-F381 VanDerWaalsContact CD-CB 3.45Å; E359-F381 WeakPolarHBondContact OE1-CA 3.38Å; E359-F381 WeakPolarHBondContact OE1-CB 3.28Å; E359-F381 PolarHBondContact OE1-N 2.88Å; E359-F381 WeakPolarHBondContact OE2-CB 3.48Å; E359-F381 PolarHBondContact OE2-N 2.96Å; M379-F381 PolarHBondContact O-N 3.16Å; F381-D383 VanDerWaalsContact C-N 3.32Å; F381-D383 PolarHBondContact O-N 3.16Å; F381-A384 WeakPolarHBondContact O-CB 3.23Å; F381-A384 PolarHBondContact O-N 3.13Å; F381-V385 HydrophobicContact CD1-CG2 4.36Å; F381-V385 HydrophobicContact CE1-CG2 4.16Å; F381-V385 WeakPolarHBondContact O-CG2 3.31Å; F381-V385 PolarHBondContact O-N 3.46Å; F381-P443 HydrophobicContact CE2-CB 3.9Å; F381-P443 HydrophobicContact CZ-CB 4.17Å; F381-E444 HydrophobicContact CE2-CG 4.49Å; F381-E444 WeakPolarHBondContact CE2-OE1 3.33Å
382	L	95	Very high	90.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-43.1	168.5	179.9	60.7	0	0	0	111.8	L356 E359 M379 A384 V385 F386 K495 M498 I499	L356-L382 HydrophobicContact CD1-CB 3.73Å; L356-L382 HydrophobicContact CD1-CD1 4Å; L356-L382 HydrophobicContact CD1-CG 4.44Å; L356-L382 HydrophobicContact CD2-CD1 4.11Å; E359-L382 PolarHBondContact OE2-N 2.69Å; M379-L382 HydrophobicContact CB-CB 3.72Å; M379-L382 HydrophobicContact CB-CD2 4.2Å; M379-L382 PolarHBondContact O-N 2.95Å; M379-L382 HydrophobicContact SD-CD2 3.79Å; L382-A384 VanDerWaalsContact C-N 3.33Å; L382-V385 PolarHBondContact O-N 2.99Å; L382-F386 WeakPolarHBondContact O-CB 3.29Å; L382-F386 PolarHBondContact O-N 3.47Å; L382-K495 HydrophobicContact CD2-CB 3.81Å; L382-K495 HydrophobicContact CD2-CD 4.29Å; L382-K495 HydrophobicContact CD2-CG 3.81Å; L382-K495 HydrophobicContact CG-CB 4.47Å; L382-K495 HydrophobicContact CG-CG 3.99Å; L382-M498 HydrophobicContact CD1-CB 4.26Å; L382-I499 HydrophobicContact CD2-CD1 3.62Å; L382-I499 HydrophobicContact CD2-CG1 3.68Å
383	D	92.7	Very high	90.9	Very high	24 Å²	24	25.2 Å²	25.2	13%	0.128	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-44.1	173.5	-169.9	71.1	0	0	0	111.6	M379 P380 F381 V385 F386 R387 K495	M379-D383 PolarHBondContact O-N 3.13Å; P380-D383 PolarHBondContact O-N 3.48Å; F381-D383 VanDerWaalsContact C-N 3.32Å; F381-D383 PolarHBondContact O-N 3.16Å; D383-V385 PolarHBondContact O-N 3.46Å; D383-F386 WeakPolarHBondContact O-CB 3.39Å; D383-F386 PolarHBondContact O-N 3.42Å; D383-R387 WeakPolarHBondContact O-CB 3.25Å; D383-R387 VanDerWaalsContact O-CG 3.28Å; D383-R387 WeakPolarHBondContact O-CG 3.45Å; D383-R387 PolarHBondContact O-N 2.81Å; D383-R387 WeakPolarHBondContact OD2-CD 3.29Å; D383-K495 IonicContact OD1-NZ 3.23Å; D383-K495 PolarHBondContact OD1-NZ 2.95Å
384	A	93.6	Very high	91.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-42.6	177.3	0	0	0	0	0	112.4	P380 F381 L382 R387 E388 P443 L446 A447	P380-A384 WeakPolarHBondContact O-CB 3.34Å; P380-A384 PolarHBondContact O-N 3.15Å; F381-A384 WeakPolarHBondContact O-CB 3.23Å; F381-A384 PolarHBondContact O-N 3.13Å; L382-A384 VanDerWaalsContact C-N 3.33Å; A384-R387 PolarHBondContact O-N 2.97Å; A384-E388 WeakPolarHBondContact O-CB 2.99Å; A384-E388 PolarHBondContact O-N 2.9Å; A384-P443 HydrophobicContact CB-CB 4.09Å; A384-P443 WeakPolarHBondContact CB-O 3.43Å; A384-L446 HydrophobicContact CB-CB 4.37Å; A384-A447 HydrophobicContact CB-CB 3.88Å
385	V	96.4	Very high	91.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.4	-44.1	174.6	164.9	0	0	0	0	111.2	L346 V352 L356 F381 L382 D383 T389 F441 P443	L346-V385 HydrophobicContact CD1-CG1 4.45Å; L346-V385 HydrophobicContact CD2-CG1 4.24Å; V352-V385 HydrophobicContact CG1-CG2 3.99Å; L356-V385 HydrophobicContact CD2-CB 4.35Å; L356-V385 HydrophobicContact CD2-CG1 4.15Å; L356-V385 HydrophobicContact CD2-CG2 4.15Å; F381-V385 HydrophobicContact CD1-CG2 4.36Å; F381-V385 HydrophobicContact CE1-CG2 4.16Å; F381-V385 WeakPolarHBondContact O-CG2 3.31Å; F381-V385 PolarHBondContact O-N 3.46Å; L382-V385 PolarHBondContact O-N 2.99Å; D383-V385 PolarHBondContact O-N 3.46Å; V385-T389 VanDerWaalsContact O-CB 3.25Å; V385-T389 WeakPolarHBondContact O-CB 3.37Å; V385-T389 PolarHBondContact O-N 3.41Å; V385-T389 PolarHBondContact O-OG1 2.98Å; V385-F441 HydrophobicContact CG1-CZ 4.3Å; V385-P443 HydrophobicContact CG2-CB 3.93Å; V385-P443 HydrophobicContact CG2-CG 3.8Å
386	F	95.7	Very high	91.9	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.022	11%	0.112	C	C	.	.	H	α-helix	trans	-59.8	-50	175.2	170.1	-112.9	0	0	0	111.6	L382 D383 T389 L390 F477 E491 F494	L382-F386 WeakPolarHBondContact O-CB 3.29Å; L382-F386 PolarHBondContact O-N 3.47Å; D383-F386 WeakPolarHBondContact O-CB 3.39Å; D383-F386 PolarHBondContact O-N 3.42Å; F386-T389 PolarHBondContact O-N 2.93Å; F386-L390 HydrophobicContact CD2-CD1 4.16Å; F386-L390 HydrophobicContact CD2-CG 4.41Å; F386-L390 HydrophobicContact CE1-CD1 3.92Å; F386-L390 HydrophobicContact CE2-CD1 3.54Å; F386-L390 HydrophobicContact CE2-CG 4.17Å; F386-L390 HydrophobicContact CZ-CD1 3.42Å; F386-L390 VanDerWaalsContact CZ-CD1 3.42Å; F386-L390 HydrophobicContact CZ-CG 4.47Å; F386-L390 WeakPolarHBondContact O-CG 3.3Å; F386-L390 PolarHBondContact O-N 3.38Å; F386-F477 HydrophobicContact CE1-CE2 4.19Å; F386-F477 AromaticContact CZ-CE2 3.89Å; F386-F477 HydrophobicContact CZ-CE2 3.89Å; F386-F477 AromaticContact CZ-CZ 3.8Å; F386-F477 HydrophobicContact CZ-CZ 3.8Å; F386-E491 HydrophobicContact CD1-CG 4.11Å; F386-E491 HydrophobicContact CE1-CB 3.96Å; F386-E491 HydrophobicContact CE1-CG 3.7Å; F386-E491 HydrophobicContact CZ-CB 3.88Å; F386-E491 HydrophobicContact CZ-CG 4.08Å; F386-F494 HydrophobicContact CB-CD1 3.9Å; F386-F494 HydrophobicContact CB-CE1 3.63Å; F386-F494 HydrophobicContact CB-CZ 4.3Å; F386-F494 HydrophobicContact CD2-CB 3.99Å; F386-F494 AromaticContact CD2-CD1 3.39Å; F386-F494 HydrophobicContact CD2-CD1 3.39Å; F386-F494 AromaticContact CD2-CD2 3.82Å; F386-F494 HydrophobicContact CD2-CD2 3.82Å; F386-F494 AromaticContact CD2-CE1 3.7Å; F386-F494 HydrophobicContact CD2-CE1 3.7Å; F386-F494 HydrophobicContact CD2-CE2 4.09Å; F386-F494 AromaticContact CD2-CG 3.45Å; F386-F494 HydrophobicContact CD2-CG 3.45Å; F386-F494 VanDerWaalsContact CD2-CG 3.45Å; F386-F494 HydrophobicContact CD2-CZ 4.04Å; F386-F494 HydrophobicContact CE2-CB 3.95Å; F386-F494 HydrophobicContact CE2-CD1 4.21Å; F386-F494 HydrophobicContact CE2-CD2 4.18Å; F386-F494 AromaticContact CE2-CG 3.87Å; F386-F494 HydrophobicContact CE2-CG 3.87Å; F386-F494 HydrophobicContact CG-CD1 4.01Å; F386-F494 HydrophobicContact CG-CE1 4.14Å; F386-F494 HydrophobicContact CG-CG 4.47Å
387	R	94.7	Very high	91.7	Very high	54 Å²	54	23.5 Å²	23.5	20%	0.204	11%	0.111	C	C	.	.	H	α-helix	trans	-69.1	-37.7	-176.5	-65.7	176.6	67.3	-151.6	2	112.5	D383 A384 L390 R391 L446 W474	D383-R387 WeakPolarHBondContact O-CB 3.25Å; D383-R387 VanDerWaalsContact O-CG 3.28Å; D383-R387 WeakPolarHBondContact O-CG 3.45Å; D383-R387 PolarHBondContact O-N 2.81Å; D383-R387 WeakPolarHBondContact OD2-CD 3.29Å; A384-R387 PolarHBondContact O-N 2.97Å; R387-L390 PolarHBondContact O-N 3.24Å; R387-R391 WeakPolarHBondContact O-CB 3.46Å; R387-R391 PolarHBondContact O-N 3.21Å; R387-L446 HydrophobicContact CB-CD1 3.44Å; R387-L446 VanDerWaalsContact CB-CD1 3.44Å; R387-W474 HydrophobicContact CB-CZ2 3.97Å; R387-W474 HydrophobicContact CG-CH2 4.38Å; R387-W474 HydrophobicContact CG-CZ2 3.87Å; R387-W474 PolarHBondContact O-NE1 3.18Å
388	E	95.5	Very high	91.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-72	-37	177.2	-172	69.9	171.6	0	0	111.3	A384 L390 R391 L392 F441 K442 P443 R445 L446	A384-E388 WeakPolarHBondContact O-CB 2.99Å; A384-E388 PolarHBondContact O-N 2.9Å; E388-L390 VanDerWaalsContact C-N 3.33Å; E388-L390 PolarHBondContact O-N 3.38Å; E388-R391 VanDerWaalsContact CD-NE 3.28Å; E388-R391 WeakPolarHBondContact O-CB 3.35Å; E388-R391 PolarHBondContact O-N 2.92Å; E388-R391 IonicContact OE1-CZ 3.91Å; E388-R391 IonicContact OE1-NE 3.44Å; E388-R391 PolarHBondContact OE1-NE 2.97Å; E388-R391 IonicContact OE1-NH2 2.97Å; E388-R391 PolarHBondContact OE1-NH2 2.81Å; E388-R391 WeakPolarHBondContact OE2-CD 3.28Å; E388-R391 IonicContact OE2-CZ 2.69Å; E388-R391 IonicContact OE2-NE 3.75Å; E388-R391 PolarHBondContact OE2-NE 3.46Å; E388-R391 IonicContact OE2-NH2 3.73Å; E388-L392 PolarHBondContact O-N 2.85Å; E388-F441 HydrophobicContact CB-CD2 4.2Å; E388-F441 HydrophobicContact CB-CE2 3.88Å; E388-F441 HydrophobicContact CG-CD2 3.47Å; E388-F441 VanDerWaalsContact CG-CD2 3.47Å; E388-F441 HydrophobicContact CG-CE2 3.68Å; E388-F441 HydrophobicContact CG-CG 4.49Å; E388-K442 PolarHBondContact OE1-N 3.41Å; E388-K442 VanDerWaalsContact OE1-N 3.16Å; E388-P443 HydrophobicContact CB-CG 4.44Å; E388-P443 HydrophobicContact CG-CG 4.49Å; E388-R445 IonicContact OE1-NE 2.79Å; E388-R445 PolarHBondContact OE1-NE 3.02Å; E388-R445 VanDerWaalsContact OE1-NE 3.12Å; E388-R445 WeakPolarHBondContact OE2-CD 3.37Å; E388-R445 IonicContact OE2-NE 3.85Å; E388-L446 HydrophobicContact CB-CD1 4.31Å
389	T	96.8	Very high	91.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-57.4	-48	169.8	-61.8	0	0	0	0	110.3	F341 A342 L345 V385 F386 R391 L392 F393	F341-T389 HydrophobicContact CB-CG2 4.17Å; A342-T389 HydrophobicContact CB-CG2 3.91Å; L345-T389 HydrophobicContact CD1-CG2 4.15Å; V385-T389 VanDerWaalsContact O-CB 3.25Å; V385-T389 WeakPolarHBondContact O-CB 3.37Å; V385-T389 PolarHBondContact O-N 3.41Å; V385-T389 PolarHBondContact O-OG1 2.98Å; F386-T389 PolarHBondContact O-N 2.93Å; T389-R391 VanDerWaalsContact C-N 3.32Å; T389-R391 PolarHBondContact O-N 3.47Å; T389-L392 CarbonylContact O-C 3.56Å; T389-L392 PolarHBondContact O-N 3.38Å; T389-F393 PolarHBondContact O-N 3.22Å
390	L	95	Very high	91.2	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-74.1	-20.8	179.7	-68	-175.3	0	0	0	113.8	A338 F386 R387 E388 P394 P395 Q429 W474 P476 F477	A338-L390 HydrophobicContact CB-CD2 3.81Å; F386-L390 HydrophobicContact CD2-CD1 4.16Å; F386-L390 HydrophobicContact CD2-CG 4.41Å; F386-L390 HydrophobicContact CE1-CD1 3.92Å; F386-L390 HydrophobicContact CE2-CD1 3.54Å; F386-L390 HydrophobicContact CE2-CG 4.17Å; F386-L390 HydrophobicContact CZ-CD1 3.42Å; F386-L390 VanDerWaalsContact CZ-CD1 3.42Å; F386-L390 HydrophobicContact CZ-CG 4.47Å; F386-L390 WeakPolarHBondContact O-CG 3.3Å; F386-L390 PolarHBondContact O-N 3.38Å; R387-L390 PolarHBondContact O-N 3.24Å; E388-L390 VanDerWaalsContact C-N 3.33Å; E388-L390 PolarHBondContact O-N 3.38Å; L390-P394 WeakPolarHBondContact O-CA 3.35Å; L390-P394 WeakPolarHBondContact O-CB 3.37Å; L390-P394 VanDerWaalsContact O-CD 3.28Å; L390-P394 WeakPolarHBondContact O-CD 3.4Å; L390-P395 HydrophobicContact CD2-CG 4.39Å; L390-Q429 PolarHBondContact O-NE2 2.73Å; L390-W474 HydrophobicContact CB-CZ2 4.16Å; L390-W474 HydrophobicContact CD1-CZ2 4.26Å; L390-P476 HydrophobicContact CB-CB 3.91Å; L390-P476 HydrophobicContact CB-CG 3.96Å; L390-P476 HydrophobicContact CD1-CB 4.28Å; L390-P476 HydrophobicContact CD1-CG 4.22Å; L390-F477 HydrophobicContact CD1-CD2 4.48Å; L390-F477 HydrophobicContact CD1-CE2 3.45Å; L390-F477 VanDerWaalsContact CD1-CE2 3.45Å; L390-F477 HydrophobicContact CD1-CZ 3.71Å
391	R	94.3	Very high	91.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-66	-48.6	170.2	-169.5	-170.9	64.7	75.2	-2.7	109.6	R387 E388 T389 Q429 R430 W435 A438 E440	R387-R391 WeakPolarHBondContact O-CB 3.46Å; R387-R391 PolarHBondContact O-N 3.21Å; E388-R391 VanDerWaalsContact CD-NE 3.28Å; E388-R391 WeakPolarHBondContact O-CB 3.35Å; E388-R391 PolarHBondContact O-N 2.92Å; E388-R391 IonicContact OE1-CZ 3.91Å; E388-R391 IonicContact OE1-NE 3.44Å; E388-R391 PolarHBondContact OE1-NE 2.97Å; E388-R391 IonicContact OE1-NH2 2.97Å; E388-R391 PolarHBondContact OE1-NH2 2.81Å; E388-R391 WeakPolarHBondContact OE2-CD 3.28Å; E388-R391 IonicContact OE2-CZ 2.69Å; E388-R391 IonicContact OE2-NE 3.75Å; E388-R391 PolarHBondContact OE2-NE 3.46Å; E388-R391 IonicContact OE2-NH2 3.73Å; T389-R391 VanDerWaalsContact C-N 3.32Å; T389-R391 PolarHBondContact O-N 3.47Å; R391-Q429 VanDerWaalsContact CA-NE2 3.31Å; R391-Q429 HydrophobicContact CG-CB 3.89Å; R391-Q429 HydrophobicContact CG-CG 4.46Å; R391-Q429 VanDerWaalsContact CG-O 3.25Å; R391-Q429 WeakPolarHBondContact CG-O 3.41Å; R391-Q429 PolarHBondContact NH1-O 3.26Å; R391-Q429 WeakPolarHBondContact O-CB 3.35Å; R391-Q429 PolarHBondContact O-NE2 3.37Å; R391-R430 PolarHBondContact O-NH1 2.74Å; R391-W435 VanDerWaalsContact CD-CZ3 3.45Å; R391-W435 HydrophobicContact CG-CH2 4.38Å; R391-W435 HydrophobicContact CG-CZ2 4.27Å; R391-A438 PolarHBondContact NH1-O 3.46Å; R391-A438 PolarHBondContact NH2-O 3.23Å; R391-E440 PolarHBondContact NH2-O 3.08Å; R391-E440 VanDerWaalsContact NH2-O 3.09Å
392	L	92.9	Very high	91.3	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-77.2	-35.5	178.3	-68.7	178.3	0	0	0	113	L345 E388 T389 P394 F426 R430 A438 F441	L345-L392 HydrophobicContact CD1-CD1 4.42Å; L345-L392 HydrophobicContact CD2-CD1 4.22Å; E388-L392 PolarHBondContact O-N 2.85Å; T389-L392 CarbonylContact O-C 3.56Å; T389-L392 PolarHBondContact O-N 3.38Å; L392-P394 VanDerWaalsContact C-CD 3.49Å; L392-F426 WeakPolarHBondContact O-CE2 3.4Å; L392-R430 VanDerWaalsContact CA-NH1 3.33Å; L392-R430 PolarHBondContact O-NH1 2.97Å; L392-R430 PolarHBondContact O-NH2 2.76Å; L392-A438 WeakPolarHBondContact CD2-O 3.18Å; L392-F441 HydrophobicContact CD1-CB 3.81Å; L392-F441 HydrophobicContact CD1-CD2 3.87Å; L392-F441 HydrophobicContact CD1-CG 4.31Å
393	F	93.5	Very high	91.4	Very high	18 Å²	18	14.9 Å²	14.9	8%	0.079	8%	0.076	C	C	.	.			trans	-135.9	66.2	-175.9	-59.2	-78.4	0	0	0	110.1	F341 W344 L345 T389 P395 I517 T519 I526	F341-F393 HydrophobicContact CB-CB 3.83Å; F341-F393 HydrophobicContact CB-CD2 3.89Å; F341-F393 HydrophobicContact CB-CG 3.96Å; F341-F393 HydrophobicContact CD1-CB 4.07Å; F341-F393 AromaticContact CD1-CD1 3.72Å; F341-F393 HydrophobicContact CD1-CD1 3.72Å; F341-F393 AromaticContact CD1-CD2 3.95Å; F341-F393 HydrophobicContact CD1-CD2 3.95Å; F341-F393 HydrophobicContact CD1-CE1 4.1Å; F341-F393 HydrophobicContact CD1-CE2 4.31Å; F341-F393 AromaticContact CD1-CG 3.63Å; F341-F393 HydrophobicContact CD1-CG 3.63Å; F341-F393 HydrophobicContact CD1-CZ 4.38Å; F341-F393 HydrophobicContact CD2-CB 3.3Å; F341-F393 HydrophobicContact CD2-CD1 4.26Å; F341-F393 AromaticContact CD2-CG 3.85Å; F341-F393 HydrophobicContact CD2-CG 3.85Å; F341-F393 HydrophobicContact CE1-CB 4.47Å; F341-F393 AromaticContact CE1-CD1 3.62Å; F341-F393 HydrophobicContact CE1-CD1 3.62Å; F341-F393 AromaticContact CE1-CE1 3.95Å; F341-F393 HydrophobicContact CE1-CE1 3.95Å; F341-F393 HydrophobicContact CE1-CG 4.01Å; F341-F393 HydrophobicContact CE2-CB 3.75Å; F341-F393 HydrophobicContact CE2-CD1 4.14Å; F341-F393 HydrophobicContact CE2-CG 4.17Å; F341-F393 HydrophobicContact CG-CB 3.47Å; F341-F393 VanDerWaalsContact CG-CB 3.47Å; F341-F393 HydrophobicContact CG-CD1 4.06Å; F341-F393 AromaticContact CG-CD2 3.93Å; F341-F393 HydrophobicContact CG-CD2 3.93Å; F341-F393 AromaticContact CG-CG 3.55Å; F341-F393 HydrophobicContact CG-CG 3.55Å; F341-F393 HydrophobicContact CZ-CB 4.33Å; F341-F393 AromaticContact CZ-CD1 3.84Å; F341-F393 HydrophobicContact CZ-CD1 3.84Å; F341-F393 HydrophobicContact CZ-CG 4.26Å; W344-F393 HydrophobicContact CE3-CE2 4.4Å; W344-F393 HydrophobicContact CZ3-CE2 4.05Å; W344-F393 HydrophobicContact CZ3-CZ 4.05Å; L345-F393 HydrophobicContact CD1-CD2 4.07Å; L345-F393 HydrophobicContact CD1-CE2 4.13Å; L345-F393 HydrophobicContact CD2-CE2 4.2Å; L345-F393 HydrophobicContact CG-CE2 4.29Å; T389-F393 PolarHBondContact O-N 3.22Å; F393-P395 WeakPolarHBondContact O-CD 3.24Å; F393-I517 HydrophobicContact CE1-CG2 4.18Å; F393-I517 HydrophobicContact CZ-CG2 3.97Å; F393-T519 HydrophobicContact CD1-CG2 4.27Å; F393-T519 HydrophobicContact CE1-CG2 4.18Å; F393-I526 HydrophobicContact CB-CD1 4.45Å; F393-I526 HydrophobicContact CD1-CD1 4.48Å
394	P	92.2	Very high	91.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.			trans	-65.1	119	172.8	28.2	-33.3	0	0	0	108.2	L390 L392 L396 V397 T425 F426 P476 I526	L390-P394 WeakPolarHBondContact O-CA 3.35Å; L390-P394 WeakPolarHBondContact O-CB 3.37Å; L390-P394 VanDerWaalsContact O-CD 3.28Å; L390-P394 WeakPolarHBondContact O-CD 3.4Å; L392-P394 VanDerWaalsContact C-CD 3.49Å; P394-L396 PolarHBondContact O-N 3.41Å; P394-L396 VanDerWaalsContact O-N 3.07Å; P394-V397 HydrophobicContact CG-CG1 4.42Å; P394-T425 HydrophobicContact CB-CG2 4.09Å; P394-T425 HydrophobicContact CG-CG2 4.19Å; P394-F426 HydrophobicContact CG-CD2 3.84Å; P394-P476 HydrophobicContact CB-CB 4.08Å; P394-I526 WeakPolarHBondContact O-CD1 3.44Å; P394-I526 VanDerWaalsContact O-CG1 3.3Å; P394-I526 WeakPolarHBondContact O-CG1 3.32Å
395	P	91.6	Very high	91.7	Very high	10 Å²	10	15.9 Å²	15.9	7%	0.065	8%	0.082	C	C	.	.	S	Bend	trans	-58.1	-28.6	-178.6	-27.1	35.6	0	0	0	112.9	T334 T337 A338 L390 F393 T525 I526	T334-P395 HydrophobicContact CG2-CB 4.27Å; T334-P395 WeakPolarHBondContact O-CG 3.25Å; T337-P395 HydrophobicContact CG2-CB 4.14Å; T337-P395 HydrophobicContact CG2-CG 4.12Å; A338-P395 HydrophobicContact CB-CG 4.39Å; L390-P395 HydrophobicContact CD2-CG 4.39Å; F393-P395 WeakPolarHBondContact O-CD 3.24Å; P395-T525 CarbonylContact O-C 3.47Å; P395-T525 WeakPolarHBondContact O-CA 3.24Å; P395-T525 VanDerWaalsContact O-CB 3.22Å; P395-T525 WeakPolarHBondContact O-CB 3.44Å; P395-I526 PolarHBondContact O-N 3.44Å
396	L	87.4	Confident	91.7	Very high	51 Å²	51	22 Å²	22	27%	0.267	11%	0.109	S	C	.	.	B	Isolated β-bridge	trans	-104.5	115.4	175.3	-62.8	-175.2	0	0	0	110.9	P394 L399 T525	P394-L396 PolarHBondContact O-N 3.41Å; P394-L396 VanDerWaalsContact O-N 3.07Å; L396-L399 HydrophobicContact CB-CB 4.46Å; L396-L399 HydrophobicContact CD1-CB 4.4Å; L396-L399 HydrophobicContact CD1-CD1 4.08Å; L396-L399 HydrophobicContact CD2-CD1 3.53Å; L396-L399 HydrophobicContact CD2-CG 4.21Å; L396-L399 HydrophobicContact CG-CD1 4.32Å; L396-T525 HydrophobicContact CD2-CG2 3.37Å
397	V	82.7	Confident	91.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-104.8	-32.7	-172.9	-69	0	0	0	0	113.9	Q114 P394 T425 F426 A524 I526	Q114-V397 VanDerWaalsContact OE1-CB 3.31Å; P394-V397 HydrophobicContact CG-CG1 4.42Å; V397-T425 PolarHBondContact O-N 2.99Å; V397-F426 HydrophobicContact CB-CB 4.14Å; V397-F426 HydrophobicContact CG1-CB 3.84Å; V397-F426 HydrophobicContact CG1-CD2 3.72Å; V397-F426 HydrophobicContact CG1-CG 4.1Å; V397-A524 WeakPolarHBondContact CG2-O 3.4Å; V397-A524 PolarHBondContact N-O 2.91Å; V397-A524 VanDerWaalsContact N-O 3.08Å; V397-I526 HydrophobicContact CB-CG2 4.35Å; V397-I526 HydrophobicContact CG1-CB 4.29Å; V397-I526 HydrophobicContact CG1-CD1 3.97Å; V397-I526 HydrophobicContact CG1-CG1 3.93Å; V397-I526 HydrophobicContact CG1-CG2 3.5Å; V397-I526 HydrophobicContact CG2-CG2 3.91Å
398	L	77.8	Confident	91.9	Very high	24 Å²	24	22.9 Å²	22.9	13%	0.126	13%	0.127	C	C	.	.	S	Bend	trans	-128.2	8.2	-177	-62.4	178.9	0	0	0	114.4	F118 V401 L422 G523	F118-L398 HydrophobicContact CD2-CD2 4.39Å; F118-L398 HydrophobicContact CE2-CD1 4.3Å; F118-L398 HydrophobicContact CE2-CD2 3.48Å; F118-L398 VanDerWaalsContact CE2-CD2 3.48Å; F118-L398 HydrophobicContact CZ-CD2 3.7Å; L398-V401 VanDerWaalsContact O-CG2 3.23Å; L398-V401 WeakPolarHBondContact O-CG2 3.34Å; L398-L422 HydrophobicContact CB-CD1 4.26Å; L398-L422 HydrophobicContact CD2-CD1 4.07Å; L398-L422 HydrophobicContact CD2-CD2 4.29Å; L398-L422 WeakPolarHBondContact O-CD1 3.38Å; L398-G523 WeakPolarHBondContact CD1-O 3.3Å
399	L	76.1	Confident	92	Very high	68 Å²	68	26.4 Å²	26.4	36%	0.356	15%	0.149	S	C	.	.			trans	-85.5	-4.8	-179.4	-70.8	-168.7	0	0	0	115	L396 V401 A524	L396-L399 HydrophobicContact CB-CB 4.46Å; L396-L399 HydrophobicContact CD1-CB 4.4Å; L396-L399 HydrophobicContact CD1-CD1 4.08Å; L396-L399 HydrophobicContact CD2-CD1 3.53Å; L396-L399 HydrophobicContact CD2-CG 4.21Å; L396-L399 HydrophobicContact CG-CD1 4.32Å; L399-V401 PolarHBondContact O-N 3Å; L399-A524 HydrophobicContact CD1-CB 4.3Å; L399-A524 HydrophobicContact CD2-CB 3.74Å; L399-A524 HydrophobicContact CG-CB 3.93Å
400	V	87	Confident	92	Very high	11 Å²	11	26.7 Å²	26.7	7%	0.067	15%	0.151	C	C	.	.			trans	-80.6	79.7	171.4	-167.8	0	0	0	0	107.5	L151 F423 T425	L151-V400 HydrophobicContact CD1-CG1 4.42Å; L151-V400 HydrophobicContact CD2-CG1 4.44Å; V400-F423 HydrophobicContact CB-CB 4.08Å; V400-F423 HydrophobicContact CG1-CB 3.91Å; V400-F423 HydrophobicContact CG1-CD2 3.79Å; V400-F423 HydrophobicContact CG1-CG 4.15Å; V400-F423 WeakPolarHBondContact O-CD2 3.37Å; V400-F423 PolarHBondContact O-N 3.06Å; V400-T425 WeakPolarHBondContact CG2-OG1 3.42Å
401	V	92.1	Very high	92	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.1	176.6	-166.4	0	0	0	0	110.2	S162 L398 L399 Q420 V421 L422	S162-V401 WeakPolarHBondContact OG-CB 3.45Å; S162-V401 WeakPolarHBondContact OG-CG1 3.24Å; L398-V401 VanDerWaalsContact O-CG2 3.23Å; L398-V401 WeakPolarHBondContact O-CG2 3.34Å; L399-V401 PolarHBondContact O-N 3Å; V401-Q420 HydrophobicContact CG1-CB 3.84Å; V401-Q420 HydrophobicContact CG1-CG 4.27Å; V401-V421 CarbonylContact C-O 3.45Å; V401-V421 VanDerWaalsContact CA-O 3.25Å; V401-V421 WeakPolarHBondContact CA-O 3.45Å; V401-V421 WeakPolarHBondContact CG1-O 3.14Å; V401-L422 HydrophobicContact CG2-CB 4.45Å; V401-L422 HydrophobicContact CG2-CD1 3.61Å
402	R	95.2	Very high	92	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.1	171.3	-61.4	-63	178.1	-96	-5.3	111.4	L151 F158 D160 Q420 V421 F423 R482	L151-R402 HydrophobicContact CD2-CG 3.8Å; F158-R402 HydrophobicContact CB-CB 3.92Å; F158-R402 HydrophobicContact CB-CG 4.34Å; F158-R402 HydrophobicContact CD1-CB 4.4Å; F158-R402 WeakPolarHBondContact O-CD 3.31Å; D160-R402 CarbonylContact O-C 3.51Å; D160-R402 VanDerWaalsContact O-CA 3.29Å; D160-R402 WeakPolarHBondContact O-CA 3.4Å; R402-Q420 CarbonylContact O-C 3.58Å; R402-Q420 VanDerWaalsContact O-CA 3.3Å; R402-Q420 WeakPolarHBondContact O-CA 3.45Å; R402-V421 PolarHBondContact N-O 2.91Å; R402-V421 PolarHBondContact O-N 3.47Å; R402-F423 HydrophobicContact CG-CE2 4.42Å; R402-R482 VanDerWaalsContact CZ-CB 3.49Å
403	T	95.5	Very high	92.1	Very high	23 Å²	23	40.6 Å²	40.6	14%	0.141	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127	172.1	-57.4	0	0	0	0	108.6	F158 D160 R161 V405	F158-T403 WeakPolarHBondContact CA-O 3.18Å; D160-T403 PolarHBondContact O-N 3.42Å; R161-T403 PolarHBondContact O-OG1 3.35Å; T403-V405 PolarHBondContact O-N 2.87Å
404	C	96.9	Very high	92.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.			trans	-65.9	123.4	170	-173.6	0	0	0	0	108.8	H157 F158 K406 F415 V416 P417 G418 V419	H157-C404 CarbonylContact O-C 3.35Å; H157-C404 WeakPolarHBondContact O-CA 3.25Å; F158-C404 HydrophobicContact CD1-CB 3.99Å; F158-C404 HydrophobicContact CE1-CB 3.69Å; C404-K406 PolarHBondContact SG-O 2.98Å; C404-F415 HydrophobicContact CB-CB 4.36Å; C404-V416 WeakPolarHBondContact CB-O 3.44Å; C404-P417 CarbonylContact O-C 3.49Å; C404-P417 VanDerWaalsContact O-CA 3.24Å; C404-P417 WeakPolarHBondContact O-CA 3.43Å; C404-G418 PolarHBondContact O-N 3.47Å; C404-V419 PolarHBondContact N-O 3.48Å
405	V	96.3	Very high	92.6	Very high	45 Å²	45	45.7 Å²	45.7	27%	0.273	24%	0.239	S	C	.	.			trans	-104.2	-20	177.8	-62.8	0	0	0	0	112.2	H157 D160 T403	H157-V405 WeakPolarHBondContact O-CG2 3.29Å; H157-V405 PolarHBondContact O-N 2.96Å; D160-V405 HydrophobicContact CB-CG1 4.18Å; D160-V405 WeakPolarHBondContact OD2-CG1 3.17Å; T403-V405 PolarHBondContact O-N 2.87Å
406	K	96.6	Very high	92.8	Very high	129 Å²	129	47.3 Å²	47.3	56%	0.561	25%	0.248	S	C	*	.	S	Bend	trans	-138.9	128.3	179	-176.8	176.4	179.7	179.9	0	110.7	H157 C404 C408	H157-K406 PolarHBondContact ND1-O 3.5Å; C404-K406 PolarHBondContact SG-O 2.98Å; K406-C408 PolarHBondContact O-N 2.95Å
407	A	97.4	Very high	93.2	Very high	59 Å²	59	48.6 Å²	48.6	49%	0.488	26%	0.26	S	S	.	.			trans	-52	135.6	179.6	0	0	0	0	0	111.6	F415	A407-F415 VanDerWaalsContact CA-O 3.32Å; A407-F415 WeakPolarHBondContact CA-O 3.46Å
408	C	97.5	Very high	93.7	Very high	18 Å²	18	50.4 Å²	50.4	12%	0.122	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	162.9	174.7	62	0	0	0	0	112.3	H157 K406 F415	H157-C408 WeakPolarHBondContact ND1-CB 3.14Å; K406-C408 PolarHBondContact O-N 2.95Å; C408-F415 PolarHBondContact N-O 3.28Å; C408-F415 PolarHBondContact O-N 3.41Å
409	T	97.3	Very high	94.5	Very high	74 Å²	74	49.3 Å²	49.3	45%	0.454	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.5	166.9	-53.9	0	0	0	0	108.7	K154 V413 K414	K154-T409 PolarHBondContact NZ-O 2.93Å; T409-V413 WeakPolarHBondContact CA-O 3.35Å; T409-K414 HydrophobicContact CG2-CG 4.42Å
410	I	96.7	Very high	95.4	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.1	175.6	-50.9	176.5	0	0	0	107	L146 D149 I150 K154 F158 N412 V413 F415	L146-I410 HydrophobicContact CD1-CB 3.8Å; L146-I410 HydrophobicContact CD1-CG2 3.51Å; D149-I410 HydrophobicContact CB-CG2 3.66Å; I150-I410 HydrophobicContact CG1-CD1 3.8Å; K154-I410 HydrophobicContact CB-CD1 4.19Å; K154-I410 HydrophobicContact CD-CD1 3.74Å; K154-I410 HydrophobicContact CD-CG1 3.8Å; K154-I410 HydrophobicContact CG-CD1 4.21Å; F158-I410 HydrophobicContact CE2-CD1 3.76Å; F158-I410 HydrophobicContact CZ-CD1 4.19Å; I410-N412 VanDerWaalsContact C-N 3.26Å; I410-N412 PolarHBondContact O-N 3.49Å; I410-V413 PolarHBondContact N-O 3.11Å; I410-V413 WeakPolarHBondContact O-CB 3.23Å; I410-V413 PolarHBondContact O-N 3.05Å; I410-F415 HydrophobicContact CB-CE2 4.11Å; I410-F415 HydrophobicContact CD1-CD2 4.45Å; I410-F415 HydrophobicContact CD1-CE2 4.27Å; I410-F415 HydrophobicContact CG1-CD2 4.38Å; I410-F415 HydrophobicContact CG1-CE2 4.25Å
411	R	95.4	Very high	95.9	Very high	120 Å²	120	46.7 Å²	46.7	45%	0.453	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	48.6	179.6	-62.1	177.6	-180	-110.7	5.5	112.7	D145 D149 V413	D145-R411 IonicContact OD1-NH2 2.73Å; D145-R411 PolarHBondContact OD1-NH2 3.48Å; D145-R411 IonicContact OD2-CZ 3.56Å; D145-R411 IonicContact OD2-NH1 2.79Å; D145-R411 PolarHBondContact OD2-NH1 3.47Å; D145-R411 IonicContact OD2-NH2 3.46Å; D145-R411 PolarHBondContact OD2-NH2 3.07Å; D149-R411 IonicContact OD2-CZ 3.17Å; D149-R411 IonicContact OD2-NE 3.09Å; D149-R411 PolarHBondContact OD2-NE 3.46Å; D149-R411 IonicContact OD2-NH2 3.43Å; D149-R411 PolarHBondContact OD2-NH2 3.34Å; R411-V413 PolarHBondContact O-N 3.38Å; R411-V413 VanDerWaalsContact O-N 3.1Å
412	N	94	Very high	96	Very high	157 Å²	157	46.3 Å²	46.3	84%	0.84	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	3.1	-177.5	-54.6	-34.7	0	0	0	116.4	I410	I410-N412 VanDerWaalsContact C-N 3.26Å; I410-N412 PolarHBondContact O-N 3.49Å
413	V	96.1	Very high	95.9	Very high	22 Å²	22	46.2 Å²	46.2	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.1	172.4	-173.8	0	0	0	0	109.4	L88 V128 L146 T409 I410 R411 F415	L88-V413 HydrophobicContact CD2-CG1 4.37Å; V128-V413 HydrophobicContact CG1-CG1 4.16Å; V128-V413 HydrophobicContact CG1-CG2 4.15Å; L146-V413 HydrophobicContact CD2-CG2 4.02Å; T409-V413 WeakPolarHBondContact CA-O 3.35Å; I410-V413 PolarHBondContact N-O 3.11Å; I410-V413 WeakPolarHBondContact O-CB 3.23Å; I410-V413 PolarHBondContact O-N 3.05Å; R411-V413 PolarHBondContact O-N 3.38Å; R411-V413 VanDerWaalsContact O-N 3.1Å; V413-F415 HydrophobicContact CB-CE2 3.82Å; V413-F415 HydrophobicContact CB-CZ 4.02Å; V413-F415 HydrophobicContact CG1-CD2 4.43Å; V413-F415 HydrophobicContact CG1-CE1 4.12Å; V413-F415 HydrophobicContact CG1-CE2 3.68Å; V413-F415 HydrophobicContact CG1-CZ 3.5Å; V413-F415 VanDerWaalsContact CG1-CZ 3.5Å; V413-F415 WeakPolarHBondContact O-CD2 3.09Å; V413-F415 WeakPolarHBondContact O-CE2 3.15Å
414	K	97.1	Very high	95.7	Very high	123 Å²	123	45.2 Å²	45.2	54%	0.535	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.2	178.7	-66.1	180	-178.4	176.5	0	110.4	L86 T409	L86-K414 HydrophobicContact CD2-CB 4.2Å; T409-K414 HydrophobicContact CG2-CG 4.42Å
415	F	97.3	Very high	95.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.4	174.2	-58.2	-88.8	0	0	0	109.4	I139 L146 I150 F158 C404 A407 C408 I410 V413 V421	I139-F415 HydrophobicContact CD1-CD1 3.68Å; I139-F415 HydrophobicContact CD1-CE1 3.71Å; I139-F415 HydrophobicContact CG2-CE1 4.3Å; L146-F415 HydrophobicContact CD1-CE2 4.42Å; L146-F415 HydrophobicContact CD1-CZ 4.39Å; I150-F415 HydrophobicContact CD1-CE1 3.99Å; I150-F415 HydrophobicContact CD1-CE2 4.26Å; I150-F415 HydrophobicContact CD1-CZ 3.57Å; I150-F415 HydrophobicContact CG1-CZ 4.46Å; F158-F415 HydrophobicContact CE1-CB 4.25Å; F158-F415 AromaticContact CE1-CD1 3.91Å; F158-F415 HydrophobicContact CE1-CD1 3.91Å; F158-F415 HydrophobicContact CE1-CE1 4.49Å; F158-F415 HydrophobicContact CE1-CG 4.05Å; F158-F415 HydrophobicContact CZ-CB 4.01Å; F158-F415 AromaticContact CZ-CD1 3.98Å; F158-F415 HydrophobicContact CZ-CD1 3.98Å; F158-F415 HydrophobicContact CZ-CD2 4.01Å; F158-F415 HydrophobicContact CZ-CE1 4.49Å; F158-F415 AromaticContact CZ-CG 3.72Å; F158-F415 HydrophobicContact CZ-CG 3.72Å; C404-F415 HydrophobicContact CB-CB 4.36Å; A407-F415 VanDerWaalsContact CA-O 3.32Å; A407-F415 WeakPolarHBondContact CA-O 3.46Å; C408-F415 PolarHBondContact N-O 3.28Å; C408-F415 PolarHBondContact O-N 3.41Å; I410-F415 HydrophobicContact CB-CE2 4.11Å; I410-F415 HydrophobicContact CD1-CD2 4.45Å; I410-F415 HydrophobicContact CD1-CE2 4.27Å; I410-F415 HydrophobicContact CG1-CD2 4.38Å; I410-F415 HydrophobicContact CG1-CE2 4.25Å; V413-F415 HydrophobicContact CB-CE2 3.82Å; V413-F415 HydrophobicContact CB-CZ 4.02Å; V413-F415 HydrophobicContact CG1-CD2 4.43Å; V413-F415 HydrophobicContact CG1-CE1 4.12Å; V413-F415 HydrophobicContact CG1-CE2 3.68Å; V413-F415 HydrophobicContact CG1-CZ 3.5Å; V413-F415 VanDerWaalsContact CG1-CZ 3.5Å; V413-F415 WeakPolarHBondContact O-CD2 3.09Å; V413-F415 WeakPolarHBondContact O-CE2 3.15Å; F415-V421 HydrophobicContact CD1-CG2 3.8Å; F415-V421 HydrophobicContact CE1-CG2 3.65Å
416	V	96.6	Very high	95.1	Very high	44 Å²	44	44.3 Å²	44.3	27%	0.267	24%	0.242	S	C	.	.			trans	-122	153.2	176.4	-62.2	0	0	0	0	110	L82 L86 C404 G418 V419	L82-V416 HydrophobicContact CD1-CG2 4.23Å; L82-V416 HydrophobicContact CD2-CG2 4.41Å; L86-V416 HydrophobicContact CD1-CG2 4.35Å; L86-V416 HydrophobicContact CD2-CG1 3.91Å; L86-V416 HydrophobicContact CD2-CG2 4.31Å; C404-V416 WeakPolarHBondContact CB-O 3.44Å; V416-G418 PolarHBondContact O-N 2.77Å; V416-V419 HydrophobicContact CG2-CG2 3.59Å; V416-V419 WeakPolarHBondContact O-CB 3.44Å; V416-V419 PolarHBondContact O-N 3.5Å
417	P	96.3	Very high	94.7	Very high	78 Å²	78	38.2 Å²	38.2	51%	0.506	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	139	179.9	-28.1	36.1	0	0	0	112.9	C404 V419	C404-P417 CarbonylContact O-C 3.49Å; C404-P417 VanDerWaalsContact O-CA 3.24Å; C404-P417 WeakPolarHBondContact O-CA 3.43Å; P417-V419 VanDerWaalsContact C-N 3.32Å; P417-V419 PolarHBondContact O-N 3.32Å
418	G	93.1	Very high	94.5	Very high	38 Å²	38	35.4 Å²	35.4	39%	0.392	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-16.8	-179.6	0	0	0	0	0	115.1	Q136 C404 V416	Q136-G418 PolarHBondContact NE2-O 2.59Å; C404-G418 PolarHBondContact O-N 3.47Å; V416-G418 PolarHBondContact O-N 2.77Å
419	V	94.6	Very high	94.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	19%	0.186	C	C	.	.			trans	-70.7	137.5	173.3	174.2	0	0	0	0	110.2	L82 L86 L137 I139 C404 V416 P417	L82-V419 HydrophobicContact CD2-CG2 3.77Å; L86-V419 HydrophobicContact CD1-CG2 4.26Å; L137-V419 HydrophobicContact CD2-CG1 4.33Å; L137-V419 HydrophobicContact CD2-CG2 4.14Å; L137-V419 HydrophobicContact CG-CG1 4.22Å; I139-V419 HydrophobicContact CD1-CG1 3.53Å; I139-V419 HydrophobicContact CG1-CG1 3.58Å; C404-V419 PolarHBondContact N-O 3.48Å; V416-V419 HydrophobicContact CG2-CG2 3.59Å; V416-V419 WeakPolarHBondContact O-CB 3.44Å; V416-V419 PolarHBondContact O-N 3.5Å; P417-V419 VanDerWaalsContact C-N 3.32Å; P417-V419 PolarHBondContact O-N 3.32Å
420	Q	95.3	Very high	93.8	Very high	23 Å²	23	31.3 Å²	31.3	11%	0.107	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	146.8	175.7	-71.5	176.8	7.6	0	0	110.3	Q136 L137 N138 I139 S162 V401 R402	Q136-Q420 VanDerWaalsContact CG-CD 3.47Å; Q136-Q420 HydrophobicContact CG-CG 4.08Å; L137-Q420 PolarHBondContact O-N 3.35Å; N138-Q420 CarbonylContact C-O 3.41Å; N138-Q420 WeakPolarHBondContact CA-O 3.39Å; N138-Q420 VanDerWaalsContact OD1-CB 3.31Å; N138-Q420 WeakPolarHBondContact OD1-CB 3.24Å; N138-Q420 PolarHBondContact OD1-OE1 3.42Å; N138-Q420 VanDerWaalsContact OD1-OE1 3.12Å; I139-Q420 PolarHBondContact N-O 2.89Å; S162-Q420 PolarHBondContact OG-NE2 3.32Å; S162-Q420 PolarHBondContact OG-OE1 3.45Å; V401-Q420 HydrophobicContact CG1-CB 3.84Å; V401-Q420 HydrophobicContact CG1-CG 4.27Å; R402-Q420 CarbonylContact O-C 3.58Å; R402-Q420 VanDerWaalsContact O-CA 3.3Å; R402-Q420 WeakPolarHBondContact O-CA 3.45Å
421	V	96.7	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	113.5	175.3	-172.4	0	0	0	0	107.9	I139 V141 I150 F158 V401 R402 F415 F423	I139-V421 CarbonylContact O-C 3.51Å; I139-V421 VanDerWaalsContact O-CA 3.29Å; I139-V421 WeakPolarHBondContact O-CA 3.27Å; V141-V421 HydrophobicContact CB-CG1 4.32Å; V141-V421 HydrophobicContact CG2-CG1 3.61Å; I150-V421 HydrophobicContact CD1-CG1 3.92Å; F158-V421 HydrophobicContact CD1-CG2 4.14Å; F158-V421 HydrophobicContact CE1-CG2 3.76Å; V401-V421 CarbonylContact C-O 3.45Å; V401-V421 VanDerWaalsContact CA-O 3.25Å; V401-V421 WeakPolarHBondContact CA-O 3.45Å; V401-V421 WeakPolarHBondContact CG1-O 3.14Å; R402-V421 PolarHBondContact N-O 2.91Å; R402-V421 PolarHBondContact O-N 3.47Å; F415-V421 HydrophobicContact CD1-CG2 3.8Å; F415-V421 HydrophobicContact CE1-CG2 3.65Å; V421-F423 HydrophobicContact CB-CE2 4.26Å; V421-F423 HydrophobicContact CB-CZ 4.37Å; V421-F423 HydrophobicContact CG1-CE1 4.12Å; V421-F423 HydrophobicContact CG1-CE2 3.79Å; V421-F423 HydrophobicContact CG1-CZ 3.52Å
422	L	94.1	Very high	93.1	Very high	6 Å²	6	31.9 Å²	31.9	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.2	-176.9	170.3	64.3	0	0	0	109.9	F118 I139 V140 V141 L398 V401	F118-L422 HydrophobicContact CE1-CD2 3.9Å; F118-L422 HydrophobicContact CZ-CD2 3.8Å; I139-L422 PolarHBondContact O-N 3.02Å; V140-L422 WeakPolarHBondContact CA-O 3.38Å; V140-L422 HydrophobicContact CG2-CD2 4.3Å; V141-L422 PolarHBondContact N-O 3.44Å; L398-L422 HydrophobicContact CB-CD1 4.26Å; L398-L422 HydrophobicContact CD2-CD1 4.07Å; L398-L422 HydrophobicContact CD2-CD2 4.29Å; L398-L422 WeakPolarHBondContact O-CD1 3.38Å; V401-L422 HydrophobicContact CG2-CB 4.45Å; V401-L422 HydrophobicContact CG2-CD1 3.61Å
423	F	93.9	Very high	92.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.			trans	-107.3	104	173.8	-56.4	-84.2	0	0	0	108.1	V141 A147 I150 L151 V400 R402 V421 T425 I428	V141-F423 HydrophobicContact CB-CD1 4.02Å; V141-F423 HydrophobicContact CB-CE1 3.78Å; V141-F423 HydrophobicContact CG1-CD1 4.29Å; V141-F423 HydrophobicContact CG1-CE1 3.9Å; V141-F423 HydrophobicContact CG2-CE1 4.48Å; A147-F423 HydrophobicContact CB-CD1 3.72Å; A147-F423 HydrophobicContact CB-CE1 3.49Å; A147-F423 VanDerWaalsContact CB-CE1 3.49Å; I150-F423 HydrophobicContact CB-CZ 4.03Å; I150-F423 HydrophobicContact CD1-CZ 4.29Å; I150-F423 HydrophobicContact CG2-CE2 4.29Å; I150-F423 HydrophobicContact CG2-CZ 3.69Å; L151-F423 HydrophobicContact CD1-CD1 4.34Å; L151-F423 HydrophobicContact CD1-CD2 4.22Å; L151-F423 HydrophobicContact CD1-CE1 4.3Å; L151-F423 HydrophobicContact CD1-CE2 4.17Å; L151-F423 HydrophobicContact CD1-CG 4.29Å; L151-F423 HydrophobicContact CD1-CZ 4.19Å; L151-F423 HydrophobicContact CD2-CD2 4.05Å; L151-F423 HydrophobicContact CD2-CE2 3.55Å; L151-F423 HydrophobicContact CD2-CZ 4.03Å; L151-F423 HydrophobicContact CG-CD2 4.39Å; L151-F423 HydrophobicContact CG-CE1 4.35Å; L151-F423 HydrophobicContact CG-CE2 3.86Å; L151-F423 HydrophobicContact CG-CZ 3.83Å; V400-F423 HydrophobicContact CB-CB 4.08Å; V400-F423 HydrophobicContact CG1-CB 3.91Å; V400-F423 HydrophobicContact CG1-CD2 3.79Å; V400-F423 HydrophobicContact CG1-CG 4.15Å; V400-F423 WeakPolarHBondContact O-CD2 3.37Å; V400-F423 PolarHBondContact O-N 3.06Å; R402-F423 HydrophobicContact CG-CE2 4.42Å; V421-F423 HydrophobicContact CB-CE2 4.26Å; V421-F423 HydrophobicContact CB-CZ 4.37Å; V421-F423 HydrophobicContact CG1-CE1 4.12Å; V421-F423 HydrophobicContact CG1-CE2 3.79Å; V421-F423 HydrophobicContact CG1-CZ 3.52Å; F423-T425 VanDerWaalsContact C-N 3.28Å; F423-T425 PolarHBondContact O-N 2.82Å; F423-I428 HydrophobicContact CB-CD1 4.31Å
424	P	91.2	Very high	92.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.013	17%	0.173	C	C	.	.			trans	-75.3	81.9	-175.5	31.3	-34.6	0	0	0	110	F118 V140 V141 T142 F426 T427 I428	F118-P424 HydrophobicContact CB-CB 4.27Å; F118-P424 HydrophobicContact CD1-CB 3.76Å; F118-P424 HydrophobicContact CD1-CG 4.05Å; F118-P424 HydrophobicContact CD2-CB 4.15Å; F118-P424 HydrophobicContact CE1-CB 4.14Å; F118-P424 HydrophobicContact CE2-CB 4.48Å; F118-P424 HydrophobicContact CG-CB 3.81Å; F118-P424 HydrophobicContact CG-CG 4.38Å; F118-P424 HydrophobicContact CZ-CB 4.49Å; V140-P424 HydrophobicContact CG1-CG 3.79Å; V141-P424 WeakPolarHBondContact O-CD 3.08Å; T142-P424 HydrophobicContact CG2-CG 3.67Å; P424-F426 VanDerWaalsContact C-N 3.27Å; P424-F426 PolarHBondContact O-N 2.87Å; P424-T427 WeakPolarHBondContact O-CA 3.47Å; P424-T427 WeakPolarHBondContact O-CB 3.33Å; P424-T427 PolarHBondContact O-N 3.35Å; P424-I428 PolarHBondContact O-N 3.1Å
425	T	90.9	Very high	91.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-50.7	-44.5	-172.2	-62.2	0	0	0	0	112.6	P394 V397 V400 F423 T427 I428 Q429 L475	P394-T425 HydrophobicContact CB-CG2 4.09Å; P394-T425 HydrophobicContact CG-CG2 4.19Å; V397-T425 PolarHBondContact O-N 2.99Å; V400-T425 WeakPolarHBondContact CG2-OG1 3.42Å; F423-T425 VanDerWaalsContact C-N 3.28Å; F423-T425 PolarHBondContact O-N 2.82Å; T425-T427 PolarHBondContact O-N 3.46Å; T425-I428 PolarHBondContact O-N 2.88Å; T425-Q429 HydrophobicContact CG2-CG 4.23Å; T425-Q429 WeakPolarHBondContact O-CB 3.49Å; T425-Q429 WeakPolarHBondContact O-CG 3.26Å; T425-Q429 PolarHBondContact O-N 3.21Å; T425-L475 HydrophobicContact CG2-CB 4.03Å
426	F	88.3	Confident	91.4	Very high	26 Å²	26	30.3 Å²	30.3	11%	0.114	17%	0.17	C	C	.	.	H	α-helix	trans	-61.7	-33.6	-179.8	-162.7	-93.4	0	0	0	112.9	K115 L392 P394 V397 P424 R430 I526	K115-F426 HydrophobicContact CB-CD1 3.75Å; K115-F426 HydrophobicContact CB-CE1 3.72Å; L392-F426 WeakPolarHBondContact O-CE2 3.4Å; P394-F426 HydrophobicContact CG-CD2 3.84Å; V397-F426 HydrophobicContact CB-CB 4.14Å; V397-F426 HydrophobicContact CG1-CB 3.84Å; V397-F426 HydrophobicContact CG1-CD2 3.72Å; V397-F426 HydrophobicContact CG1-CG 4.1Å; P424-F426 VanDerWaalsContact C-N 3.27Å; P424-F426 PolarHBondContact O-N 2.87Å; F426-R430 VanDerWaalsContact CE2-NH1 3.27Å; F426-R430 VanDerWaalsContact CZ-CZ 3.47Å; F426-R430 VanDerWaalsContact CZ-NH1 3.28Å; F426-I526 HydrophobicContact CD2-CD1 4.01Å; F426-I526 HydrophobicContact CE2-CD1 3.71Å
427	T	89.8	Confident	91	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-78.9	-46	177.9	-62	0	0	0	0	111.3	F118 Q119 P424 T425 Q429 R430 D431	F118-T427 HydrophobicContact CB-CG2 4.1Å; F118-T427 WeakPolarHBondContact CB-OG1 3.43Å; Q119-T427 HydrophobicContact CG-CG2 3.68Å; P424-T427 WeakPolarHBondContact O-CA 3.47Å; P424-T427 WeakPolarHBondContact O-CB 3.33Å; P424-T427 PolarHBondContact O-N 3.35Å; T425-T427 PolarHBondContact O-N 3.46Å; T427-Q429 VanDerWaalsContact C-N 3.3Å; T427-Q429 PolarHBondContact O-N 2.78Å; T427-R430 CarbonylContact O-C 3.54Å; T427-R430 PolarHBondContact O-N 3.1Å; T427-R430 VanDerWaalsContact O-N 3.1Å; T427-D431 PolarHBondContact O-N 3.36Å
428	I	91.6	Very high	90.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.5	-41.6	179	-69	169.2	0	0	0	111.3	T142 L144 F423 P424 T425 R430 D431 W435 M472 L475	T142-I428 HydrophobicContact CG2-CG1 4.29Å; L144-I428 HydrophobicContact CD2-CG2 3.69Å; F423-I428 HydrophobicContact CB-CD1 4.31Å; P424-I428 PolarHBondContact O-N 3.1Å; T425-I428 PolarHBondContact O-N 2.88Å; I428-R430 PolarHBondContact O-N 3.31Å; I428-D431 PolarHBondContact O-N 3.15Å; I428-W435 PolarHBondContact O-NE1 2.65Å; I428-M472 WeakPolarHBondContact CG2-O 3.36Å; I428-L475 HydrophobicContact CD1-CD1 4.26Å
429	Q	91.3	Very high	90.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-4.9	-179.2	-71.1	-177.8	175	0	0	114.3	L390 R391 T425 T427 A473 P476	L390-Q429 PolarHBondContact O-NE2 2.73Å; R391-Q429 VanDerWaalsContact CA-NE2 3.31Å; R391-Q429 HydrophobicContact CG-CB 3.89Å; R391-Q429 HydrophobicContact CG-CG 4.46Å; R391-Q429 VanDerWaalsContact CG-O 3.25Å; R391-Q429 WeakPolarHBondContact CG-O 3.41Å; R391-Q429 PolarHBondContact NH1-O 3.26Å; R391-Q429 WeakPolarHBondContact O-CB 3.35Å; R391-Q429 PolarHBondContact O-NE2 3.37Å; T425-Q429 HydrophobicContact CG2-CG 4.23Å; T425-Q429 WeakPolarHBondContact O-CB 3.49Å; T425-Q429 WeakPolarHBondContact O-CG 3.26Å; T425-Q429 PolarHBondContact O-N 3.21Å; T427-Q429 VanDerWaalsContact C-N 3.3Å; T427-Q429 PolarHBondContact O-N 2.78Å; Q429-A473 WeakPolarHBondContact CG-O 3.48Å; Q429-P476 VanDerWaalsContact OE1-N 3.08Å
430	R	89.5	Confident	90.5	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.019	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	17.9	178.2	-73.2	178.7	157.3	77	-0.4	112.9	Q119 R391 L392 F426 T427 I428 E432 A438 E439	Q119-R430 PolarHBondContact NE2-O 3Å; R391-R430 PolarHBondContact O-NH1 2.74Å; L392-R430 VanDerWaalsContact CA-NH1 3.33Å; L392-R430 PolarHBondContact O-NH1 2.97Å; L392-R430 PolarHBondContact O-NH2 2.76Å; F426-R430 VanDerWaalsContact CE2-NH1 3.27Å; F426-R430 VanDerWaalsContact CZ-CZ 3.47Å; F426-R430 VanDerWaalsContact CZ-NH1 3.28Å; T427-R430 CarbonylContact O-C 3.54Å; T427-R430 PolarHBondContact O-N 3.1Å; T427-R430 VanDerWaalsContact O-N 3.1Å; I428-R430 PolarHBondContact O-N 3.31Å; R430-E432 PolarHBondContact O-N 3.27Å; R430-A438 HydrophobicContact CB-CB 4.37Å; R430-A438 WeakPolarHBondContact O-CB 3.2Å; R430-E439 WeakPolarHBondContact CD-OE1 3.45Å; R430-E439 IonicContact NE-OE1 2.87Å; R430-E439 PolarHBondContact NE-OE1 3.34Å; R430-E439 IonicContact NE-OE2 2.8Å; R430-E439 PolarHBondContact NE-OE2 2.81Å; R430-E439 VanDerWaalsContact NE-OE2 3.11Å; R430-E439 IonicContact NH2-OE2 3.16Å
431	D	89.2	Confident	90.5	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.064	17%	0.173	C	C	.	.			trans	-71	116.7	177.5	-158.7	-15.8	0	0	0	107.8	K122 T427 I428 D433 V434 W435	K122-D431 IonicContact NZ-OD1 3.62Å; K122-D431 PolarHBondContact NZ-OD1 3.17Å; K122-D431 IonicContact NZ-OD2 3.15Å; K122-D431 PolarHBondContact NZ-OD2 3.28Å; T427-D431 PolarHBondContact O-N 3.36Å; I428-D431 PolarHBondContact O-N 3.15Å; D431-D433 PolarHBondContact O-N 3.37Å; D431-V434 HydrophobicContact CB-CB 4.15Å; D431-V434 HydrophobicContact CB-CG2 3.92Å; D431-V434 CarbonylContact O-C 3.56Å; D431-V434 WeakPolarHBondContact O-CA 3.37Å; D431-V434 PolarHBondContact O-N 2.99Å; D431-W435 PolarHBondContact O-N 3.37Å
432	E	88.5	Confident	90.3	Very high	128 Å²	128	38.2 Å²	38.2	60%	0.598	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.3	-177.5	-72.5	170.4	-163.7	0	0	111.5	R430 V434 A438	R430-E432 PolarHBondContact O-N 3.27Å; E432-V434 PolarHBondContact O-N 2.91Å; E432-A438 HydrophobicContact CG-CB 3.87Å
433	D	86.1	Confident	90.3	Very high	134 Å²	134	37.9 Å²	37.9	72%	0.717	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.6	171	-59.9	-27.7	0	0	0	112.6	K122 D431	K122-D433 IonicContact NZ-OD2 3.27Å; K122-D433 PolarHBondContact NZ-OD2 3.3Å; D431-D433 PolarHBondContact O-N 3.37Å
434	V	86.3	Confident	90	Very high	39 Å²	39	41.8 Å²	41.8	24%	0.236	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-31.9	-174.5	-176.3	0	0	0	0	111.7	L144 D431 E432 A473	L144-V434 HydrophobicContact CD1-CG1 4.04Å; L144-V434 HydrophobicContact CD1-CG2 3.97Å; D431-V434 HydrophobicContact CB-CB 4.15Å; D431-V434 HydrophobicContact CB-CG2 3.92Å; D431-V434 CarbonylContact O-C 3.56Å; D431-V434 WeakPolarHBondContact O-CA 3.37Å; D431-V434 PolarHBondContact O-N 2.99Å; E432-V434 PolarHBondContact O-N 2.91Å; V434-A473 HydrophobicContact CG1-CB 3.61Å
435	W	88.8	Confident	89.8	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	21%	0.21	C	C	.	.	S	Bend	trans	-127.5	104	-174.7	-56.6	93.4	0	0	0	109.7	R391 I428 D431 D437 A438 L446 H469 A473 W474	R391-W435 VanDerWaalsContact CD-CZ3 3.45Å; R391-W435 HydrophobicContact CG-CH2 4.38Å; R391-W435 HydrophobicContact CG-CZ2 4.27Å; I428-W435 PolarHBondContact O-NE1 2.65Å; D431-W435 PolarHBondContact O-N 3.37Å; W435-D437 PolarHBondContact O-N 3.37Å; W435-A438 HydrophobicContact CB-CB 4.04Å; W435-A438 WeakPolarHBondContact O-CA 3.4Å; W435-A438 WeakPolarHBondContact O-CB 3.45Å; W435-A438 PolarHBondContact O-N 3.16Å; W435-L446 HydrophobicContact CH2-CD2 4.3Å; W435-L446 HydrophobicContact CZ3-CD2 4.04Å; W435-H469 AromaticContact CE3-CD2 3.58Å; W435-H469 AromaticContact CE3-NE2 3.31Å; W435-H469 VanDerWaalsContact CE3-NE2 3.31Å; W435-H469 HydrophobicContact CH2-CB 4.39Å; W435-H469 AromaticContact CH2-CD2 3.72Å; W435-H469 AromaticContact CH2-CG 3.93Å; W435-H469 AromaticContact CZ3-CD2 3.38Å; W435-H469 WeakPolarHBondContact CZ3-CD2 3.44Å; W435-H469 AromaticContact CZ3-CE1 3.68Å; W435-H469 AromaticContact CZ3-CG 3.85Å; W435-H469 AromaticContact CZ3-NE2 3.26Å; W435-H469 VanDerWaalsContact CZ3-NE2 3.26Å; W435-H469 WeakPolarHBondContact CZ3-NE2 3.4Å; W435-A473 HydrophobicContact CZ2-CB 3.72Å; W435-A473 WeakPolarHBondContact CZ2-O 3.43Å; W435-W474 HydrophobicContact CH2-CB 4.45Å; W435-W474 HydrophobicContact CZ2-CB 4.31Å
436	M	86.8	Confident	89.2	Confident	96 Å²	96	43.4 Å²	43.4	47%	0.473	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	133.2	172.4	-174.4	-175.8	-69.2	0	0	110.3	A438 R445	M436-A438 VanDerWaalsContact C-N 3.34Å; M436-A438 PolarHBondContact O-N 3.19Å; M436-R445 VanDerWaalsContact O-CZ 3.26Å; M436-R445 PolarHBondContact O-NH1 3.2Å; M436-R445 PolarHBondContact O-NH2 3.07Å
437	D	88.8	Confident	87.8	Confident	84 Å²	84	43.4 Å²	43.4	45%	0.449	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	52.1	-172.4	-50.9	-44.8	0	0	0	111.9	W435 E439 E440 K442 R445	W435-D437 PolarHBondContact O-N 3.37Å; D437-E439 PolarHBondContact O-N 3.13Å; D437-E440 HydrophobicContact CB-CB 4.12Å; D437-E440 HydrophobicContact CB-CG 4Å; D437-E440 PolarHBondContact O-N 3.41Å; D437-K442 IonicContact OD2-NZ 2.8Å; D437-K442 PolarHBondContact OD2-NZ 3.35Å; D437-R445 PolarHBondContact O-NH2 2.84Å
438	A	90.3	Very high	85.9	Confident	2 Å²	2	49 Å²	49	2%	0.017	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.8	-171.4	0	0	0	0	0	114.8	R391 L392 R430 E432 W435 M436	R391-A438 PolarHBondContact NH1-O 3.46Å; R391-A438 PolarHBondContact NH2-O 3.23Å; L392-A438 WeakPolarHBondContact CD2-O 3.18Å; R430-A438 HydrophobicContact CB-CB 4.37Å; R430-A438 WeakPolarHBondContact O-CB 3.2Å; E432-A438 HydrophobicContact CG-CB 3.87Å; W435-A438 HydrophobicContact CB-CB 4.04Å; W435-A438 WeakPolarHBondContact O-CA 3.4Å; W435-A438 WeakPolarHBondContact O-CB 3.45Å; W435-A438 PolarHBondContact O-N 3.16Å; M436-A438 VanDerWaalsContact C-N 3.34Å; M436-A438 PolarHBondContact O-N 3.19Å
439	E	90	Very high	83.8	Confident	81 Å²	81	51.7 Å²	51.7	38%	0.379	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.9	179.3	-66.6	-51.8	138.6	0	0	114.3	K115 R430 D437	K115-E439 WeakPolarHBondContact CD-OE1 3.43Å; K115-E439 WeakPolarHBondContact CE-OE1 3.44Å; K115-E439 VanDerWaalsContact NZ-CD 3.29Å; K115-E439 IonicContact NZ-OE1 2.78Å; K115-E439 PolarHBondContact NZ-OE1 3.48Å; R430-E439 WeakPolarHBondContact CD-OE1 3.45Å; R430-E439 IonicContact NE-OE1 2.87Å; R430-E439 PolarHBondContact NE-OE1 3.34Å; R430-E439 IonicContact NE-OE2 2.8Å; R430-E439 PolarHBondContact NE-OE2 2.81Å; R430-E439 VanDerWaalsContact NE-OE2 3.11Å; R430-E439 IonicContact NH2-OE2 3.16Å; D437-E439 PolarHBondContact O-N 3.13Å
440	E	92.7	Very high	81.3	Confident	99 Å²	99	59 Å²	59	46%	0.463	30%	0.295	S	S	.	.	S	Bend	trans	-81.6	139.3	-178.1	-67.5	-60	147.5	0	0	111.5	R391 D437 K442	R391-E440 PolarHBondContact NH2-O 3.08Å; R391-E440 VanDerWaalsContact NH2-O 3.09Å; D437-E440 HydrophobicContact CB-CB 4.12Å; D437-E440 HydrophobicContact CB-CG 4Å; D437-E440 PolarHBondContact O-N 3.41Å; E440-K442 HydrophobicContact CB-CD 4.22Å; E440-K442 HydrophobicContact CB-CG 3.98Å; E440-K442 PolarHBondContact O-N 2.8Å
441	F	95.5	Very high	78.7	Confident	10 Å²	10	61.7 Å²	61.7	4%	0.044	32%	0.315	C	S	.	.			trans	-81.5	97.7	173.2	-178.9	-120.5	0	0	0	110.2	L345 H349 V352 V385 E388 L392 P443	L345-F441 HydrophobicContact CB-CD1 4.14Å; L345-F441 HydrophobicContact CB-CD2 4.47Å; L345-F441 HydrophobicContact CB-CE1 3.96Å; L345-F441 HydrophobicContact CB-CE2 4.35Å; L345-F441 HydrophobicContact CB-CG 4.37Å; L345-F441 HydrophobicContact CB-CZ 4.09Å; L345-F441 HydrophobicContact CD1-CD2 3.74Å; L345-F441 HydrophobicContact CD1-CE2 3.75Å; L345-F441 HydrophobicContact CD1-CG 4.31Å; L345-F441 HydrophobicContact CD1-CZ 4.29Å; L345-F441 HydrophobicContact CD2-CB 3.87Å; L345-F441 HydrophobicContact CD2-CD1 4.25Å; L345-F441 HydrophobicContact CD2-CD2 4.05Å; L345-F441 HydrophobicContact CD2-CG 3.8Å; L345-F441 HydrophobicContact CG-CD2 4.31Å; L345-F441 HydrophobicContact CG-CE2 4.48Å; L345-F441 HydrophobicContact CG-CG 4.39Å; H349-F441 HydrophobicContact CB-CD1 4.19Å; H349-F441 AromaticContact CD2-CD1 3.57Å; H349-F441 AromaticContact CG-CD1 3.92Å; V352-F441 HydrophobicContact CB-CE1 4.33Å; V352-F441 HydrophobicContact CG1-CE1 3.82Å; V352-F441 HydrophobicContact CG1-CZ 4.41Å; V352-F441 HydrophobicContact CG2-CE1 4.38Å; V385-F441 HydrophobicContact CG1-CZ 4.3Å; E388-F441 HydrophobicContact CB-CD2 4.2Å; E388-F441 HydrophobicContact CB-CE2 3.88Å; E388-F441 HydrophobicContact CG-CD2 3.47Å; E388-F441 VanDerWaalsContact CG-CD2 3.47Å; E388-F441 HydrophobicContact CG-CE2 3.68Å; E388-F441 HydrophobicContact CG-CG 4.49Å; L392-F441 HydrophobicContact CD1-CB 3.81Å; L392-F441 HydrophobicContact CD1-CD2 3.87Å; L392-F441 HydrophobicContact CD1-CG 4.31Å; F441-P443 HydrophobicContact CD1-CG 4.37Å; F441-P443 HydrophobicContact CD2-CG 4.44Å; F441-P443 HydrophobicContact CE1-CG 3.85Å; F441-P443 HydrophobicContact CE2-CG 3.89Å; F441-P443 HydrophobicContact CZ-CG 3.57Å
442	K	93.3	Very high	76.2	Confident	75 Å²	75	70 Å²	70	33%	0.326	35%	0.353	S	S	.	.			trans	-127	78.9	-177.9	-58.6	-174.1	-177.1	-176.4	0	111	E388 D437 E440 E444 R445	E388-K442 PolarHBondContact OE1-N 3.41Å; E388-K442 VanDerWaalsContact OE1-N 3.16Å; D437-K442 IonicContact OD2-NZ 2.8Å; D437-K442 PolarHBondContact OD2-NZ 3.35Å; E440-K442 HydrophobicContact CB-CD 4.22Å; E440-K442 HydrophobicContact CB-CG 3.98Å; E440-K442 PolarHBondContact O-N 2.8Å; K442-E444 PolarHBondContact O-N 2.84Å; K442-E444 VanDerWaalsContact O-N 3.08Å; K442-R445 VanDerWaalsContact O-CG 3.27Å; K442-R445 WeakPolarHBondContact O-CG 3.48Å; K442-R445 PolarHBondContact O-N 2.97Å; K442-R445 VanDerWaalsContact O-N 3.1Å
443	P	93.2	Very high	73.9	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33.1	179.4	-28.4	36.7	0	0	0	113.6	V352 F381 A384 V385 E388 F441 R445 L446 A447	V352-P443 HydrophobicContact CG1-CG 3.88Å; F381-P443 HydrophobicContact CE2-CB 3.9Å; F381-P443 HydrophobicContact CZ-CB 4.17Å; A384-P443 HydrophobicContact CB-CB 4.09Å; A384-P443 WeakPolarHBondContact CB-O 3.43Å; V385-P443 HydrophobicContact CG2-CB 3.93Å; V385-P443 HydrophobicContact CG2-CG 3.8Å; E388-P443 HydrophobicContact CB-CG 4.44Å; E388-P443 HydrophobicContact CG-CG 4.49Å; F441-P443 HydrophobicContact CD1-CG 4.37Å; F441-P443 HydrophobicContact CD2-CG 4.44Å; F441-P443 HydrophobicContact CE1-CG 3.85Å; F441-P443 HydrophobicContact CE2-CG 3.89Å; F441-P443 HydrophobicContact CZ-CG 3.57Å; P443-R445 PolarHBondContact O-N 3.28Å; P443-L446 PolarHBondContact O-N 2.89Å; P443-A447 PolarHBondContact O-N 2.83Å
444	E	87.8	Confident	71.4	Confident	81 Å²	81	69.9 Å²	69.9	38%	0.379	36%	0.359	S	S	.	.	H	α-helix	trans	-50.2	-32.5	178.2	-70.4	74.4	-165.1	0	0	113.7	K355 F381 K442 L446 A447	K355-E444 IonicContact NZ-OE1 2.9Å; K355-E444 PolarHBondContact NZ-OE1 3.44Å; F381-E444 HydrophobicContact CE2-CG 4.49Å; F381-E444 WeakPolarHBondContact CE2-OE1 3.33Å; K442-E444 PolarHBondContact O-N 2.84Å; K442-E444 VanDerWaalsContact O-N 3.08Å; E444-L446 PolarHBondContact O-N 3.39Å; E444-L446 VanDerWaalsContact O-N 3.14Å; E444-A447 PolarHBondContact O-N 3.4Å
445	R	86.4	Confident	68.9	Low	31 Å²	31	71.1 Å²	71.1	12%	0.117	37%	0.374	C	S	.	.	H	α-helix	trans	-62.8	-21.3	179.2	83.3	178	59.1	-118.8	13.5	113.1	E388 M436 D437 K442 P443	E388-R445 IonicContact OE1-NE 2.79Å; E388-R445 PolarHBondContact OE1-NE 3.02Å; E388-R445 VanDerWaalsContact OE1-NE 3.12Å; E388-R445 WeakPolarHBondContact OE2-CD 3.37Å; E388-R445 IonicContact OE2-NE 3.85Å; M436-R445 VanDerWaalsContact O-CZ 3.26Å; M436-R445 PolarHBondContact O-NH1 3.2Å; M436-R445 PolarHBondContact O-NH2 3.07Å; D437-R445 PolarHBondContact O-NH2 2.84Å; K442-R445 VanDerWaalsContact O-CG 3.27Å; K442-R445 WeakPolarHBondContact O-CG 3.48Å; K442-R445 PolarHBondContact O-N 2.97Å; K442-R445 VanDerWaalsContact O-N 3.1Å; P443-R445 PolarHBondContact O-N 3.28Å
446	L	78.4	Confident	66.3	Low	5 Å²	5	78 Å²	78	3%	0.026	40%	0.404	C	S	.	.	H	α-helix	trans	-110.6	-10.7	179.3	-61.7	-179.3	0	0	0	113	A384 R387 E388 W435 P443 E444	A384-L446 HydrophobicContact CB-CB 4.37Å; R387-L446 HydrophobicContact CB-CD1 3.44Å; R387-L446 VanDerWaalsContact CB-CD1 3.44Å; E388-L446 HydrophobicContact CB-CD1 4.31Å; W435-L446 HydrophobicContact CH2-CD2 4.3Å; W435-L446 HydrophobicContact CZ3-CD2 4.04Å; P443-L446 PolarHBondContact O-N 2.89Å; E444-L446 PolarHBondContact O-N 3.39Å; E444-L446 VanDerWaalsContact O-N 3.14Å
447	A	60.1	Low	64	Low	26 Å²	26	80.3 Å²	80.3	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-72.2	-29.9	-179.3	0	0	0	0	0	112.9	A384 P443 E444 A449	A384-A447 HydrophobicContact CB-CB 3.88Å; P443-A447 PolarHBondContact O-N 2.83Å; E444-A447 PolarHBondContact O-N 3.4Å; A447-A449 VanDerWaalsContact C-N 3.3Å; A447-A449 PolarHBondContact O-N 2.8Å
448	F	48.9	Very low	61.5	Low	118 Å²	118	82.6 Å²	82.6	52%	0.518	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-81.8	-3.9	-174.9	-130.8	-90.6	0	0	0	114.6	F450 A455	F448-F450 PolarHBondContact O-N 2.88Å; F448-F450 VanDerWaalsContact O-N 3.14Å; F448-A455 HydrophobicContact CZ-CB 4.41Å
449	A	47.5	Very low	59	Low	59 Å²	59	89 Å²	89	49%	0.488	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-69.9	-6.1	178.4	0	0	0	0	0	114	A447	A447-A449 VanDerWaalsContact C-N 3.3Å; A447-A449 PolarHBondContact O-N 2.8Å
450	F	39	Very low	56.5	Low	153 Å²	153	88 Å²	88	67%	0.671	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-132.4	2.4	-172.1	-75.4	-81.3	0	0	0	116	F448	F448-F450 PolarHBondContact O-N 2.88Å; F448-F450 VanDerWaalsContact O-N 3.14Å
451	S	34.3	Very low	53.5	Low	62 Å²	62	89 Å²	89	43%	0.434	48%	0.479	S	S	.	.			trans	-100.9	112.5	176.5	-178	0	0	0	0	111.5	T453	S451-T453 VanDerWaalsContact C-N 3.33Å
452	H	37.8	Very low	50.5	Low	187 Å²	187	95.7 Å²	95.7	87%	0.866	51%	0.508	S	S	*	.			trans	-88.7	13.1	175.1	-102.3	-77.9	0	0	0	113.7
453	T	39	Very low	47.9	Very low	101 Å²	101	95 Å²	95	62%	0.62	51%	0.508	S	S	*	.	S	Bend	trans	-137.7	115	-164.7	-32.1	0	0	0	0	114.5	S451	S451-T453 VanDerWaalsContact C-N 3.33Å
454	L	34.5	Very low	44.9	Very low	158 Å²	158	100.6 Å²	100.6	83%	0.827	53%	0.534	S	S	*	.	S	Bend	trans	69.3	25.3	145.3	-71.7	168.5	0	0	0	123.3
455	A	34	Very low	42.4	Very low	65 Å²	65	104 Å²	104	54%	0.537	56%	0.555	S	S	.	*			trans	-112.8	43	155.6	0	0	0	0	0	111.4	F448 I457	F448-A455 HydrophobicContact CZ-CB 4.41Å; A455-I457 PolarHBondContact O-N 3.49Å
456	F	34.2	Very low	40.3	Very low	144 Å²	144	104.5 Å²	104.5	63%	0.632	56%	0.558	S	S	*	*			trans	-90.3	1.9	-148.5	-156.6	-99.4	0	0	0	116.5	H460	F456-H460 PolarHBondContact O-CD2 3.35Å
457	I	37.6	Very low	38.8	Very low	146 Å²	146	107.4 Å²	107.4	75%	0.749	58%	0.579	S	S	*	*	S	Bend	trans	-129.9	-33.3	-169.8	-59.7	-179.4	0	0	0	115.6	A455	A455-I457 PolarHBondContact O-N 3.49Å
458	C	36.7	Very low	38.5	Very low	131 Å²	131	113.3 Å²	113.3	89%	0.885	61%	0.607	S	S	*	*	S	Bend	trans	-105.6	-8.4	-170.8	-67.3	0	0	0	0	116
459	F	38.7	Very low	39.5	Very low	136 Å²	136	110 Å²	110	60%	0.596	59%	0.593	S	S	*	*	S	Bend	trans	-114.7	-0.6	176.6	-141.5	-93.5	0	0	0	112.4	S461 L463	F459-S461 PolarHBondContact O-N 3.32Å; F459-L463 HydrophobicContact CD1-CB 4.49Å; F459-L463 HydrophobicContact CD1-CD1 3.31Å; F459-L463 HydrophobicContact CD1-CG 3.52Å; F459-L463 HydrophobicContact CE1-CD1 3.43Å; F459-L463 VanDerWaalsContact CE1-CD1 3.43Å; F459-L463 HydrophobicContact CE1-CD2 4.14Å; F459-L463 HydrophobicContact CE1-CG 3.56Å
460	H	37.6	Very low	41.4	Very low	60 Å²	60	109.3 Å²	109.3	28%	0.278	58%	0.58	S	S	.	*	H	α-helix	trans	-72.7	-31.3	-166.6	-152.8	-34.8	0	0	0	112.9	F456 F462 Q464	F456-H460 PolarHBondContact O-CD2 3.35Å; H460-F462 PolarHBondContact O-N 2.93Å; H460-Q464 PolarHBondContact CE1-NE2 3.49Å; H460-Q464 VanDerWaalsContact CE1-NE2 3.28Å; H460-Q464 VanDerWaalsContact ND1-CD 3.3Å; H460-Q464 PolarHBondContact ND1-OE1 3.09Å; H460-Q464 WeakPolarHBondContact O-CB 3.48Å; H460-Q464 PolarHBondContact O-N 3.43Å
461	S	29.1	Very low	43.6	Very low	121 Å²	121	105.9 Å²	105.9	85%	0.846	57%	0.573	S	S	*	*	H	α-helix	trans	-78.6	-16.3	-177.8	-57.7	0	0	0	0	115.1	F459	F459-S461 PolarHBondContact O-N 3.32Å
462	F	32.7	Very low	46.4	Very low	151 Å²	151	103.1 Å²	103.1	66%	0.662	55%	0.553	S	S	*	*	H	α-helix	trans	-97.9	-26.1	177.6	-173.5	-104.1	0	0	0	112.9	H460	H460-F462 PolarHBondContact O-N 2.93Å
463	L	37.7	Very low	49	Very low	60 Å²	60	94.2 Å²	94.2	31%	0.314	51%	0.512	S	S	.	.	H	α-helix	trans	-102.6	-10.3	-178.2	-70.4	-170.6	0	0	0	115.4	F459 D465 Q466 S467	F459-L463 HydrophobicContact CD1-CB 4.49Å; F459-L463 HydrophobicContact CD1-CD1 3.31Å; F459-L463 HydrophobicContact CD1-CG 3.52Å; F459-L463 HydrophobicContact CE1-CD1 3.43Å; F459-L463 VanDerWaalsContact CE1-CD1 3.43Å; F459-L463 HydrophobicContact CE1-CD2 4.14Å; F459-L463 HydrophobicContact CE1-CG 3.56Å; L463-D465 PolarHBondContact O-N 2.83Å; L463-D465 VanDerWaalsContact O-N 3.15Å; L463-Q466 HydrophobicContact CD2-CG 4.45Å; L463-Q466 PolarHBondContact O-N 2.9Å; L463-S467 PolarHBondContact O-N 3.08Å
464	Q	30.4	Very low	51.5	Low	118 Å²	118	91.1 Å²	91.1	55%	0.551	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.9	179	-141.6	157.1	-3.8	0	0	113	H460 S467	H460-Q464 PolarHBondContact CE1-NE2 3.49Å; H460-Q464 VanDerWaalsContact CE1-NE2 3.28Å; H460-Q464 VanDerWaalsContact ND1-CD 3.3Å; H460-Q464 PolarHBondContact ND1-OE1 3.09Å; H460-Q464 WeakPolarHBondContact O-CB 3.48Å; H460-Q464 PolarHBondContact O-N 3.43Å; Q464-S467 PolarHBondContact O-OG 3.43Å
465	D	36.4	Very low	54.2	Low	153 Å²	153	83.7 Å²	83.7	82%	0.818	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.9	175.4	-157.5	20.1	0	0	0	112.6	L463	L463-D465 PolarHBondContact O-N 2.83Å; L463-D465 VanDerWaalsContact O-N 3.15Å
466	Q	42.6	Very low	57	Low	40 Å²	40	81.1 Å²	81.1	19%	0.187	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-19.1	-175.7	-61.4	-105.1	-34.8	0	0	113	L463 N468 H469	L463-Q466 HydrophobicContact CD2-CG 4.45Å; L463-Q466 PolarHBondContact O-N 2.9Å; Q466-N468 VanDerWaalsContact C-N 3.31Å; Q466-N468 PolarHBondContact O-N 3.34Å; Q466-H469 PolarHBondContact O-CE1 3.44Å; Q466-H469 PolarHBondContact O-ND1 3.07Å
467	S	45.7	Very low	59.8	Low	66 Å²	66	75.7 Å²	75.7	46%	0.462	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-3.1	-172.9	48.5	0	0	0	0	115.5	L463 Q464	L463-S467 PolarHBondContact O-N 3.08Å; Q464-S467 PolarHBondContact O-OG 3.43Å
468	N	55	Low	62.4	Low	150 Å²	150	69.5 Å²	69.5	80%	0.802	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.5	49.5	-177.5	-126.1	-0	0	0	0	111.9	Q466 H470	Q466-N468 VanDerWaalsContact C-N 3.31Å; Q466-N468 PolarHBondContact O-N 3.34Å; N468-H470 PolarHBondContact O-N 3.4Å; N468-H470 VanDerWaalsContact O-N 3.14Å
469	H	69.9	Low	65	Low	48 Å²	48	63.7 Å²	63.7	22%	0.222	34%	0.338	C	S	.	.			trans	-48.4	127.4	174	-67.4	95.6	0	0	0	109.5	W435 Q466 A473	W435-H469 AromaticContact CE3-CD2 3.58Å; W435-H469 AromaticContact CE3-NE2 3.31Å; W435-H469 VanDerWaalsContact CE3-NE2 3.31Å; W435-H469 HydrophobicContact CH2-CB 4.39Å; W435-H469 AromaticContact CH2-CD2 3.72Å; W435-H469 AromaticContact CH2-CG 3.93Å; W435-H469 AromaticContact CZ3-CD2 3.38Å; W435-H469 WeakPolarHBondContact CZ3-CD2 3.44Å; W435-H469 AromaticContact CZ3-CE1 3.68Å; W435-H469 AromaticContact CZ3-CG 3.85Å; W435-H469 AromaticContact CZ3-NE2 3.26Å; W435-H469 VanDerWaalsContact CZ3-NE2 3.26Å; W435-H469 WeakPolarHBondContact CZ3-NE2 3.4Å; Q466-H469 PolarHBondContact O-CE1 3.44Å; Q466-H469 PolarHBondContact O-ND1 3.07Å; H469-A473 HydrophobicContact CB-CB 4.49Å
470	H	87	Confident	67.6	Low	46 Å²	46	58.1 Å²	58.1	21%	0.213	32%	0.319	C	S	.	.			trans	-53.4	137.2	-179.1	-177.3	-80.3	0	0	0	109.5	L144 D145 N468 M472 A473	L144-H470 VanDerWaalsContact C-CE1 3.49Å; L144-H470 HydrophobicContact CB-CB 4.41Å; L144-H470 WeakPolarHBondContact CB-ND1 3.28Å; L144-H470 HydrophobicContact CD1-CB 3.7Å; L144-H470 PolarHBondContact O-CE1 2.99Å; D145-H470 IonicContact OD1-NE2 2.78Å; N468-H470 PolarHBondContact O-N 3.4Å; N468-H470 VanDerWaalsContact O-N 3.14Å; H470-M472 PolarHBondContact ND1-N 3.49Å; H470-M472 VanDerWaalsContact ND1-N 3.17Å; H470-M472 PolarHBondContact O-N 3.3Å; H470-A473 WeakPolarHBondContact O-CB 3.44Å; H470-A473 PolarHBondContact O-N 2.93Å
471	P	85.2	Confident	70.3	Confident	81 Å²	81	58 Å²	58	53%	0.526	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.3	-171.9	-29.4	35.4	0	0	0	115.3
472	M	92	Very high	73.3	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.02	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-0.8	176.8	-54.8	-65	89.8	0	0	114.3	L144 A147 K148 L151 I152 I428 H470 W474 L475 A479	L144-M472 HydrophobicContact CB-CB 4.24Å; L144-M472 HydrophobicContact CD2-CB 4.38Å; L144-M472 VanDerWaalsContact O-CG 3.31Å; L144-M472 WeakPolarHBondContact O-CG 3.38Å; A147-M472 HydrophobicContact CB-CB 4.09Å; A147-M472 HydrophobicContact CB-CG 3.99Å; A147-M472 HydrophobicContact CB-SD 4.49Å; K148-M472 HydrophobicContact CB-CG 3.75Å; K148-M472 HydrophobicContact CB-SD 4.34Å; L151-M472 HydrophobicContact CB-SD 4.42Å; L151-M472 HydrophobicContact CD1-SD 3.92Å; I152-M472 HydrophobicContact CD1-CE 3.85Å; I428-M472 WeakPolarHBondContact CG2-O 3.36Å; H470-M472 PolarHBondContact ND1-N 3.49Å; H470-M472 VanDerWaalsContact ND1-N 3.17Å; H470-M472 PolarHBondContact O-N 3.3Å; M472-W474 VanDerWaalsContact C-N 3.29Å; M472-L475 HydrophobicContact CE-CD2 4.22Å; M472-L475 VanDerWaalsContact O-CD1 3.27Å; M472-L475 WeakPolarHBondContact O-CD1 3.48Å; M472-L475 WeakPolarHBondContact O-CG 3.2Å; M472-L475 HydrophobicContact SD-CD2 4.14Å; M472-A479 HydrophobicContact CE-CB 3.45Å; M472-A479 VanDerWaalsContact CE-CB 3.45Å; M472-A479 HydrophobicContact SD-CB 3.83Å
473	A	92.5	Very high	76.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-72.4	-24.9	175.3	0	0	0	0	0	112.1	L144 Q429 V434 W435 H469 H470	L144-A473 HydrophobicContact CD1-CB 4.14Å; Q429-A473 WeakPolarHBondContact CG-O 3.48Å; V434-A473 HydrophobicContact CG1-CB 3.61Å; W435-A473 HydrophobicContact CZ2-CB 3.72Å; W435-A473 WeakPolarHBondContact CZ2-O 3.43Å; H469-A473 HydrophobicContact CB-CB 4.49Å; H470-A473 WeakPolarHBondContact O-CB 3.44Å; H470-A473 PolarHBondContact O-N 2.93Å
474	W	91.8	Very high	78.9	Confident	36 Å²	36	47.2 Å²	47.2	14%	0.136	27%	0.266	C	S	.	.			trans	-122.9	103.3	-178.7	-168.5	89.1	0	0	0	109.9	R387 L390 W435 M472 P476 F477	R387-W474 HydrophobicContact CB-CZ2 3.97Å; R387-W474 HydrophobicContact CG-CH2 4.38Å; R387-W474 HydrophobicContact CG-CZ2 3.87Å; R387-W474 PolarHBondContact O-NE1 3.18Å; L390-W474 HydrophobicContact CB-CZ2 4.16Å; L390-W474 HydrophobicContact CD1-CZ2 4.26Å; W435-W474 HydrophobicContact CH2-CB 4.45Å; W435-W474 HydrophobicContact CZ2-CB 4.31Å; M472-W474 VanDerWaalsContact C-N 3.29Å; W474-P476 VanDerWaalsContact C-CD 3.41Å; W474-P476 HydrophobicContact CD2-CG 3.67Å; W474-P476 HydrophobicContact CE3-CG 3.78Å; W474-P476 HydrophobicContact CH2-CG 3.39Å; W474-P476 HydrophobicContact CZ2-CG 3.24Å; W474-P476 HydrophobicContact CZ3-CG 3.65Å; W474-F477 AromaticContact CH2-CD2 3.7Å; W474-F477 HydrophobicContact CH2-CD2 3.7Å; W474-F477 AromaticContact CH2-CE2 3.84Å; W474-F477 HydrophobicContact CH2-CE2 3.84Å; W474-F477 AromaticContact CZ3-CD2 3.97Å; W474-F477 HydrophobicContact CZ3-CD2 3.97Å
475	L	92.4	Very high	81.8	Confident	2 Å²	2	43 Å²	43	1%	0.01	25%	0.247	C	C	.	.			trans	-126.2	32	-171.1	-66.4	174.3	0	0	0	114.7	T425 I428 M472 F477 G478 A479	T425-L475 HydrophobicContact CG2-CB 4.03Å; I428-L475 HydrophobicContact CD1-CD1 4.26Å; M472-L475 HydrophobicContact CE-CD2 4.22Å; M472-L475 VanDerWaalsContact O-CD1 3.27Å; M472-L475 WeakPolarHBondContact O-CD1 3.48Å; M472-L475 WeakPolarHBondContact O-CG 3.2Å; M472-L475 HydrophobicContact SD-CD2 4.14Å; L475-F477 PolarHBondContact O-N 3.04Å; L475-F477 VanDerWaalsContact O-N 3.16Å; L475-G478 PolarHBondContact O-N 3.06Å; L475-A479 HydrophobicContact CD2-CB 3.69Å
476	P	92.4	Very high	84.4	Confident	11 Å²	11	36.3 Å²	36.3	7%	0.071	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.3	-177	30.5	-30.9	0	0	0	112.2	L390 P394 Q429 W474	L390-P476 HydrophobicContact CB-CB 3.91Å; L390-P476 HydrophobicContact CB-CG 3.96Å; L390-P476 HydrophobicContact CD1-CB 4.28Å; L390-P476 HydrophobicContact CD1-CG 4.22Å; P394-P476 HydrophobicContact CB-CB 4.08Å; Q429-P476 VanDerWaalsContact OE1-N 3.08Å; W474-P476 VanDerWaalsContact C-CD 3.41Å; W474-P476 HydrophobicContact CD2-CG 3.67Å; W474-P476 HydrophobicContact CE3-CG 3.78Å; W474-P476 HydrophobicContact CH2-CG 3.39Å; W474-P476 HydrophobicContact CZ2-CG 3.24Å; W474-P476 HydrophobicContact CZ3-CG 3.65Å
477	F	93.4	Very high	86.8	Confident	29 Å²	29	38 Å²	38	13%	0.127	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	8.4	173.1	-64.5	-74	0	0	0	112.8	F386 L390 W474 L475 N483 C484 K487 A490	F386-F477 HydrophobicContact CE1-CE2 4.19Å; F386-F477 AromaticContact CZ-CE2 3.89Å; F386-F477 HydrophobicContact CZ-CE2 3.89Å; F386-F477 AromaticContact CZ-CZ 3.8Å; F386-F477 HydrophobicContact CZ-CZ 3.8Å; L390-F477 HydrophobicContact CD1-CD2 4.48Å; L390-F477 HydrophobicContact CD1-CE2 3.45Å; L390-F477 VanDerWaalsContact CD1-CE2 3.45Å; L390-F477 HydrophobicContact CD1-CZ 3.71Å; W474-F477 AromaticContact CH2-CD2 3.7Å; W474-F477 HydrophobicContact CH2-CD2 3.7Å; W474-F477 AromaticContact CH2-CE2 3.84Å; W474-F477 HydrophobicContact CH2-CE2 3.84Å; W474-F477 AromaticContact CZ3-CD2 3.97Å; W474-F477 HydrophobicContact CZ3-CD2 3.97Å; L475-F477 PolarHBondContact O-N 3.04Å; L475-F477 VanDerWaalsContact O-N 3.16Å; F477-N483 CarbonylContact O-C 3.36Å; F477-N483 WeakPolarHBondContact O-CA 3.38Å; F477-N483 WeakPolarHBondContact O-CB 3.4Å; F477-C484 HydrophobicContact CB-CB 3.84Å; F477-C484 HydrophobicContact CD1-CB 3.64Å; F477-C484 HydrophobicContact CG-CB 4.23Å; F477-C484 PolarHBondContact O-N 3.48Å; F477-K487 HydrophobicContact CB-CB 4.36Å; F477-K487 HydrophobicContact CB-CD 4.25Å; F477-K487 HydrophobicContact CB-CG 4.31Å; F477-K487 HydrophobicContact CD1-CB 3.76Å; F477-K487 HydrophobicContact CD1-CG 3.9Å; F477-K487 HydrophobicContact CD2-CB 4.47Å; F477-K487 HydrophobicContact CD2-CD 3.98Å; F477-K487 HydrophobicContact CD2-CG 3.73Å; F477-K487 HydrophobicContact CE1-CB 4.14Å; F477-K487 HydrophobicContact CE1-CG 4.13Å; F477-K487 HydrophobicContact CE2-CG 3.97Å; F477-K487 HydrophobicContact CG-CB 3.93Å; F477-K487 HydrophobicContact CG-CD 4.06Å; F477-K487 HydrophobicContact CG-CG 3.69Å; F477-K487 HydrophobicContact CZ-CG 4.16Å; F477-A490 HydrophobicContact CE1-CB 4.14Å; F477-A490 HydrophobicContact CZ-CB 4.37Å
478	G	92.1	Very high	89	Confident	17 Å²	17	38.9 Å²	38.9	18%	0.175	22%	0.215	C	C	.	.			trans	61.5	-170.8	-167.5	0	0	0	0	0	113.1	L475	L475-G478 PolarHBondContact O-N 3.06Å
479	A	91.4	Very high	90.8	Very high	9 Å²	9	32.5 Å²	32.5	7%	0.074	18%	0.18	C	C	.	.			trans	-137.7	165.8	179.7	0	0	0	0	0	113.1	L151 M472 L475	L151-A479 HydrophobicContact CB-CB 4.31Å; L151-A479 HydrophobicContact CD1-CB 4.12Å; M472-A479 HydrophobicContact CE-CB 3.45Å; M472-A479 VanDerWaalsContact CE-CB 3.45Å; M472-A479 HydrophobicContact SD-CB 3.83Å; L475-A479 HydrophobicContact CD2-CB 3.69Å
480	G	92.8	Very high	91.9	Very high	19 Å²	19	31 Å²	31	20%	0.196	18%	0.175	C	C	.	.	S	Bend	trans	70.7	-167.3	179.1	0	0	0	0	0	114.2	L151 R482 N483	L151-G480 WeakPolarHBondContact O-CA 3.4Å; G480-R482 PolarHBondContact O-N 2.9Å; G480-N483 VanDerWaalsContact O-CB 3.28Å; G480-N483 WeakPolarHBondContact O-CB 3.43Å; G480-N483 VanDerWaalsContact O-CG 3.29Å; G480-N483 PolarHBondContact O-N 3.4Å; G480-N483 PolarHBondContact O-OD1 3.35Å
481	P	93.6	Very high	92.2	Very high	56 Å²	56	30.8 Å²	30.8	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-21.9	-174.9	-27.9	37.2	0	0	0	115	F155 W184 R188	F155-P481 HydrophobicContact CB-CG 4.41Å; F155-P481 HydrophobicContact CD1-CB 4Å; F155-P481 HydrophobicContact CD1-CG 3.65Å; F155-P481 HydrophobicContact CD2-CB 4.34Å; F155-P481 HydrophobicContact CD2-CG 4.13Å; F155-P481 HydrophobicContact CE1-CB 3.72Å; F155-P481 HydrophobicContact CE1-CG 3.93Å; F155-P481 HydrophobicContact CE2-CB 4.1Å; F155-P481 HydrophobicContact CE2-CG 4.39Å; F155-P481 HydrophobicContact CG-CB 4.31Å; F155-P481 HydrophobicContact CG-CG 3.77Å; F155-P481 HydrophobicContact CZ-CB 3.78Å; F155-P481 HydrophobicContact CZ-CG 4.3Å; W184-P481 HydrophobicContact CH2-CB 3.95Å; W184-P481 WeakPolarHBondContact CH2-O 3.13Å; W184-P481 VanDerWaalsContact CZ2-O 3.28Å; W184-P481 WeakPolarHBondContact CZ2-O 3.26Å; R188-P481 PolarHBondContact NE-O 2.88Å; R188-P481 PolarHBondContact NH2-O 3.33Å
482	R	93.1	Very high	92.6	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	12.3	176.8	-84.2	-85.3	-169.3	170.4	5.2	114	F155 T159 D160 R161 L176 L179 W184 R402 G480	F155-R482 HydrophobicContact CE2-CB 4.07Å; F155-R482 HydrophobicContact CE2-CG 3.61Å; F155-R482 HydrophobicContact CZ-CG 3.83Å; T159-R482 PolarHBondContact O-NE 2.87Å; T159-R482 PolarHBondContact O-NH2 2.98Å; T159-R482 VanDerWaalsContact O-NH2 3.08Å; D160-R482 IonicContact OD1-NH2 3.77Å; R161-R482 PolarHBondContact NH2-O 3.46Å; L176-R482 PolarHBondContact O-NH1 2.86Å; L179-R482 PolarHBondContact O-NH1 2.78Å; L179-R482 VanDerWaalsContact O-NH1 3.13Å; L179-R482 PolarHBondContact O-NH2 3.48Å; W184-R482 VanDerWaalsContact CD2-CZ 3.42Å; W184-R482 VanDerWaalsContact CD2-NE 3.29Å; W184-R482 VanDerWaalsContact CG-NH2 3.27Å; W184-R482 HydrophobicContact CH2-CG 3.82Å; W184-R482 HydrophobicContact CZ2-CB 4.24Å; W184-R482 HydrophobicContact CZ2-CG 3.46Å; W184-R482 VanDerWaalsContact CZ2-CG 3.46Å; R402-R482 VanDerWaalsContact CZ-CB 3.49Å; G480-R482 PolarHBondContact O-N 2.9Å
483	N	92.7	Very high	92.7	Very high	56 Å²	56	27.7 Å²	27.7	30%	0.299	15%	0.154	S	C	.	.	S	Bend	trans	-61.5	169.7	174.4	75	-14.9	0	0	0	112	R188 F477 G480 I485	R188-N483 PolarHBondContact NH1-O 3Å; R188-N483 PolarHBondContact NH2-O 3.21Å; R188-N483 PolarHBondContact NH2-OD1 2.87Å; F477-N483 CarbonylContact O-C 3.36Å; F477-N483 WeakPolarHBondContact O-CA 3.38Å; F477-N483 WeakPolarHBondContact O-CB 3.4Å; G480-N483 VanDerWaalsContact O-CB 3.28Å; G480-N483 WeakPolarHBondContact O-CB 3.43Å; G480-N483 VanDerWaalsContact O-CG 3.29Å; G480-N483 PolarHBondContact O-N 3.4Å; G480-N483 PolarHBondContact O-OD1 3.35Å; N483-I485 PolarHBondContact O-N 3.4Å
484	C	94	Very high	92.9	Very high	49 Å²	49	27.9 Å²	27.9	33%	0.331	15%	0.154	S	C	.	.			trans	-61	121.9	179.3	-174.2	0	0	0	0	110.9	F477 G486	F477-C484 HydrophobicContact CB-CB 3.84Å; F477-C484 HydrophobicContact CD1-CB 3.64Å; F477-C484 HydrophobicContact CG-CB 4.23Å; F477-C484 PolarHBondContact O-N 3.48Å; C484-G486 VanDerWaalsContact C-N 3.31Å; C484-G486 PolarHBondContact SG-N 2.79Å
485	I	91.6	Very high	93	Very high	29 Å²	29	26.7 Å²	26.7	15%	0.149	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-31.1	177.7	-162.3	164.1	0	0	0	111.8	L176 R188 V191 A192 F195 F327 N483 K487	L176-I485 HydrophobicContact CD2-CD1 4.11Å; L176-I485 HydrophobicContact CD2-CG2 4.2Å; R188-I485 HydrophobicContact CG-CD1 4.17Å; V191-I485 HydrophobicContact CB-CD1 4.07Å; V191-I485 HydrophobicContact CG1-CD1 3.54Å; A192-I485 HydrophobicContact CB-CD1 4.35Å; F195-I485 HydrophobicContact CD2-CD1 4.21Å; F195-I485 HydrophobicContact CD2-CG1 3.73Å; F195-I485 HydrophobicContact CD2-CG2 4.46Å; F195-I485 HydrophobicContact CE2-CD1 4.44Å; F195-I485 HydrophobicContact CE2-CG1 4.08Å; F195-I485 HydrophobicContact CE2-CG2 3.98Å; F195-I485 HydrophobicContact CG-CG1 4.42Å; F195-I485 HydrophobicContact CZ-CG2 4.4Å; F327-I485 HydrophobicContact CE1-CG2 4.15Å; N483-I485 PolarHBondContact O-N 3.4Å; I485-K487 PolarHBondContact O-N 3.33Å
486	G	91.6	Very high	93.2	Very high	14 Å²	14	26.7 Å²	26.7	14%	0.144	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	11.4	180	0	0	0	0	0	115	C484 R488 F489 A490	C484-G486 VanDerWaalsContact C-N 3.31Å; C484-G486 PolarHBondContact SG-N 2.79Å; G486-R488 VanDerWaalsContact C-N 3.29Å; G486-R488 PolarHBondContact O-N 3.14Å; G486-F489 PolarHBondContact O-N 3.14Å; G486-F489 VanDerWaalsContact O-N 3.17Å; G486-A490 PolarHBondContact O-N 3.01Å
487	K	92.8	Very high	93.4	Very high	75 Å²	75	26.1 Å²	26.1	33%	0.326	15%	0.147	S	C	.	.	H	α-helix	trans	-48.9	-50.5	-177.1	173.4	-177.5	175	-166.7	0	112	F477 I485 A490 E491	F477-K487 HydrophobicContact CB-CB 4.36Å; F477-K487 HydrophobicContact CB-CD 4.25Å; F477-K487 HydrophobicContact CB-CG 4.31Å; F477-K487 HydrophobicContact CD1-CB 3.76Å; F477-K487 HydrophobicContact CD1-CG 3.9Å; F477-K487 HydrophobicContact CD2-CB 4.47Å; F477-K487 HydrophobicContact CD2-CD 3.98Å; F477-K487 HydrophobicContact CD2-CG 3.73Å; F477-K487 HydrophobicContact CE1-CB 4.14Å; F477-K487 HydrophobicContact CE1-CG 4.13Å; F477-K487 HydrophobicContact CE2-CG 3.97Å; F477-K487 HydrophobicContact CG-CB 3.93Å; F477-K487 HydrophobicContact CG-CD 4.06Å; F477-K487 HydrophobicContact CG-CG 3.69Å; F477-K487 HydrophobicContact CZ-CG 4.16Å; I485-K487 PolarHBondContact O-N 3.33Å; K487-A490 PolarHBondContact O-N 3.33Å; K487-E491 WeakPolarHBondContact O-CB 3.33Å; K487-E491 PolarHBondContact O-N 3.39Å
488	R	91.2	Very high	93.6	Very high	84 Å²	84	24.8 Å²	24.8	32%	0.317	14%	0.141	S	C	.	.	H	α-helix	trans	-68.1	-40.1	-176.2	-66	-173.2	66.5	-163.3	4.3	112.6	N197 M200 G486 E491 I492	N197-R488 PolarHBondContact OD1-NH1 2.6Å; N197-R488 PolarHBondContact OD1-NH2 2.8Å; M200-R488 HydrophobicContact SD-CB 4.36Å; G486-R488 VanDerWaalsContact C-N 3.29Å; G486-R488 PolarHBondContact O-N 3.14Å; R488-E491 PolarHBondContact O-N 2.94Å; R488-I492 WeakPolarHBondContact O-CB 3.27Å; R488-I492 WeakPolarHBondContact O-CD1 3.38Å; R488-I492 VanDerWaalsContact O-CG1 3.26Å; R488-I492 WeakPolarHBondContact O-CG1 3.29Å; R488-I492 PolarHBondContact O-N 2.89Å
489	F	92.6	Very high	93.8	Very high	17 Å²	17	24 Å²	24	8%	0.075	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-47.3	175.2	175.6	-98.7	0	0	0	111	F195 M200 M203 V241 I242 C245 G486 E491 I492 Q493	F195-F489 HydrophobicContact CD1-CB 4.2Å; F195-F489 HydrophobicContact CE1-CB 4.03Å; M200-F489 HydrophobicContact SD-CB 3.91Å; M203-F489 HydrophobicContact CB-CD2 4.35Å; M203-F489 HydrophobicContact CB-CE2 4.24Å; M203-F489 HydrophobicContact SD-CD2 3.68Å; M203-F489 HydrophobicContact SD-CE2 3.87Å; V241-F489 HydrophobicContact CG1-CZ 4Å; I242-F489 HydrophobicContact CD1-CE1 3.8Å; I242-F489 HydrophobicContact CD1-CZ 3.9Å; C245-F489 HydrophobicContact CB-CE2 3.95Å; C245-F489 HydrophobicContact CB-CZ 4.29Å; G486-F489 PolarHBondContact O-N 3.14Å; G486-F489 VanDerWaalsContact O-N 3.17Å; F489-E491 VanDerWaalsContact C-N 3.34Å; F489-E491 PolarHBondContact O-N 3.36Å; F489-I492 PolarHBondContact O-N 2.88Å; F489-Q493 VanDerWaalsContact O-CB 3.28Å; F489-Q493 WeakPolarHBondContact O-CB 3.37Å; F489-Q493 PolarHBondContact O-N 3.26Å
490	A	94.1	Very high	94	Very high	15 Å²	15	24.6 Å²	24.6	12%	0.124	13%	0.134	C	C	.	.	H	α-helix	trans	-61.5	-41.8	177.6	0	0	0	0	0	112.2	F477 G486 K487 F494	F477-A490 HydrophobicContact CE1-CB 4.14Å; F477-A490 HydrophobicContact CZ-CB 4.37Å; G486-A490 PolarHBondContact O-N 3.01Å; K487-A490 PolarHBondContact O-N 3.33Å; A490-F494 VanDerWaalsContact O-CB 3.25Å; A490-F494 WeakPolarHBondContact O-CB 3.36Å; A490-F494 PolarHBondContact O-N 2.98Å
491	E	93.4	Very high	94.2	Very high	42 Å²	42	23.7 Å²	23.7	20%	0.196	12%	0.124	C	C	.	.	H	α-helix	trans	-63.5	-47.8	176.8	-174.6	-178.7	158.1	0	0	112.1	F386 K487 R488 F489 F494 K495	F386-E491 HydrophobicContact CD1-CG 4.11Å; F386-E491 HydrophobicContact CE1-CB 3.96Å; F386-E491 HydrophobicContact CE1-CG 3.7Å; F386-E491 HydrophobicContact CZ-CB 3.88Å; F386-E491 HydrophobicContact CZ-CG 4.08Å; K487-E491 WeakPolarHBondContact O-CB 3.33Å; K487-E491 PolarHBondContact O-N 3.39Å; R488-E491 PolarHBondContact O-N 2.94Å; F489-E491 VanDerWaalsContact C-N 3.34Å; F489-E491 PolarHBondContact O-N 3.36Å; E491-F494 PolarHBondContact O-N 3.41Å; E491-K495 HydrophobicContact CG-CD 4.08Å; E491-K495 WeakPolarHBondContact O-CB 3.49Å; E491-K495 VanDerWaalsContact O-CG 3.28Å; E491-K495 WeakPolarHBondContact O-CG 3.42Å; E491-K495 PolarHBondContact O-N 2.97Å; E491-K495 IonicContact OE1-NZ 3.99Å; E491-K495 PolarHBondContact OE1-NZ 2.94Å
492	I	92.6	Very high	94.4	Very high	18 Å²	18	21 Å²	21	9%	0.092	11%	0.107	C	C	.	.	H	α-helix	trans	-61.4	-48.3	176.9	-70.3	159.1	0	0	0	110.5	M200 A204 F373 R488 F489 F494 K495 I496	M200-I492 HydrophobicContact CB-CD1 3.83Å; M200-I492 HydrophobicContact CG-CD1 4.32Å; M200-I492 HydrophobicContact SD-CD1 4.48Å; A204-I492 HydrophobicContact CB-CG2 3.85Å; F373-I492 HydrophobicContact CE2-CD1 3.7Å; F373-I492 HydrophobicContact CE2-CG1 4.08Å; F373-I492 HydrophobicContact CE2-CG2 4.38Å; F373-I492 HydrophobicContact CZ-CD1 4.21Å; R488-I492 WeakPolarHBondContact O-CB 3.27Å; R488-I492 WeakPolarHBondContact O-CD1 3.38Å; R488-I492 VanDerWaalsContact O-CG1 3.26Å; R488-I492 WeakPolarHBondContact O-CG1 3.29Å; R488-I492 PolarHBondContact O-N 2.89Å; F489-I492 PolarHBondContact O-N 2.88Å; I492-F494 VanDerWaalsContact C-N 3.33Å; I492-F494 PolarHBondContact O-N 3.48Å; I492-K495 PolarHBondContact O-N 3.26Å; I492-I496 HydrophobicContact CG2-CD1 3.51Å; I492-I496 HydrophobicContact CG2-CG1 4.23Å; I492-I496 VanDerWaalsContact O-CG1 3.29Å; I492-I496 WeakPolarHBondContact O-CG1 3.48Å; I492-I496 PolarHBondContact O-N 3.39Å
493	Q	94.2	Very high	94.5	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.014	12%	0.116	C	C	.	.	H	α-helix	trans	-59.3	-44.6	179.3	-176.1	-177.1	36.3	0	0	111.4	V241 S335 F489 T497	V241-Q493 HydrophobicContact CG1-CG 4.32Å; V241-Q493 VanDerWaalsContact CG1-NE2 3.34Å; S335-Q493 PolarHBondContact OG-OE1 3.45Å; F489-Q493 VanDerWaalsContact O-CB 3.28Å; F489-Q493 WeakPolarHBondContact O-CB 3.37Å; F489-Q493 PolarHBondContact O-N 3.26Å; Q493-T497 VanDerWaalsContact O-CB 3.3Å; Q493-T497 WeakPolarHBondContact O-CB 3.48Å; Q493-T497 PolarHBondContact O-N 2.97Å; Q493-T497 VanDerWaalsContact O-N 3.14Å; Q493-T497 PolarHBondContact O-OG1 3.43Å
494	F	96.4	Very high	94.6	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.013	12%	0.117	C	C	.	.	H	α-helix	trans	-60.6	-53.7	175.2	-179.5	-82	0	0	0	111	A338 M339 A342 F386 A490 E491 I492 T497 M498	A338-F494 HydrophobicContact CB-CD2 4.25Å; A338-F494 HydrophobicContact CB-CE2 4.43Å; M339-F494 HydrophobicContact CG-CD2 3.69Å; M339-F494 HydrophobicContact CG-CE2 4.25Å; M339-F494 HydrophobicContact CG-CG 4.45Å; A342-F494 HydrophobicContact CB-CE2 3.55Å; A342-F494 HydrophobicContact CB-CZ 3.47Å; A342-F494 VanDerWaalsContact CB-CZ 3.47Å; F386-F494 HydrophobicContact CB-CD1 3.9Å; F386-F494 HydrophobicContact CB-CE1 3.63Å; F386-F494 HydrophobicContact CB-CZ 4.3Å; F386-F494 HydrophobicContact CD2-CB 3.99Å; F386-F494 AromaticContact CD2-CD1 3.39Å; F386-F494 HydrophobicContact CD2-CD1 3.39Å; F386-F494 AromaticContact CD2-CD2 3.82Å; F386-F494 HydrophobicContact CD2-CD2 3.82Å; F386-F494 AromaticContact CD2-CE1 3.7Å; F386-F494 HydrophobicContact CD2-CE1 3.7Å; F386-F494 HydrophobicContact CD2-CE2 4.09Å; F386-F494 AromaticContact CD2-CG 3.45Å; F386-F494 HydrophobicContact CD2-CG 3.45Å; F386-F494 VanDerWaalsContact CD2-CG 3.45Å; F386-F494 HydrophobicContact CD2-CZ 4.04Å; F386-F494 HydrophobicContact CE2-CB 3.95Å; F386-F494 HydrophobicContact CE2-CD1 4.21Å; F386-F494 HydrophobicContact CE2-CD2 4.18Å; F386-F494 AromaticContact CE2-CG 3.87Å; F386-F494 HydrophobicContact CE2-CG 3.87Å; F386-F494 HydrophobicContact CG-CD1 4.01Å; F386-F494 HydrophobicContact CG-CE1 4.14Å; F386-F494 HydrophobicContact CG-CG 4.47Å; A490-F494 VanDerWaalsContact O-CB 3.25Å; A490-F494 WeakPolarHBondContact O-CB 3.36Å; A490-F494 PolarHBondContact O-N 2.98Å; E491-F494 PolarHBondContact O-N 3.41Å; I492-F494 VanDerWaalsContact C-N 3.33Å; I492-F494 PolarHBondContact O-N 3.48Å; F494-T497 PolarHBondContact O-N 2.96Å; F494-M498 HydrophobicContact CD1-CG 3.88Å; F494-M498 HydrophobicContact CD2-CG 4.46Å; F494-M498 HydrophobicContact CE1-CB 4.46Å; F494-M498 HydrophobicContact CE1-CG 3.58Å; F494-M498 HydrophobicContact CE2-CG 4.22Å; F494-M498 HydrophobicContact CG-CG 4.31Å; F494-M498 HydrophobicContact CZ-CG 3.78Å; F494-M498 HydrophobicContact CZ-SD 4.41Å; F494-M498 WeakPolarHBondContact O-CB 3.4Å; F494-M498 VanDerWaalsContact O-CG 3.29Å; F494-M498 WeakPolarHBondContact O-CG 3.45Å; F494-M498 PolarHBondContact O-N 3.36Å
495	K	95.6	Very high	94.8	Very high	11 Å²	11	21.7 Å²	21.7	5%	0.048	10%	0.103	C	C	.	.	H	α-helix	trans	-60.9	-50	-175	-73.3	-177.8	175.1	172.5	0	111.8	I376 L382 D383 E491 I492 T497 M498 I499	I376-K495 HydrophobicContact CG2-CB 3.63Å; I376-K495 HydrophobicContact CG2-CD 3.75Å; I376-K495 HydrophobicContact CG2-CG 4.3Å; L382-K495 HydrophobicContact CD2-CB 3.81Å; L382-K495 HydrophobicContact CD2-CD 4.29Å; L382-K495 HydrophobicContact CD2-CG 3.81Å; L382-K495 HydrophobicContact CG-CB 4.47Å; L382-K495 HydrophobicContact CG-CG 3.99Å; D383-K495 IonicContact OD1-NZ 3.23Å; D383-K495 PolarHBondContact OD1-NZ 2.95Å; E491-K495 HydrophobicContact CG-CD 4.08Å; E491-K495 WeakPolarHBondContact O-CB 3.49Å; E491-K495 VanDerWaalsContact O-CG 3.28Å; E491-K495 WeakPolarHBondContact O-CG 3.42Å; E491-K495 PolarHBondContact O-N 2.97Å; E491-K495 IonicContact OE1-NZ 3.99Å; E491-K495 PolarHBondContact OE1-NZ 2.94Å; I492-K495 PolarHBondContact O-N 3.26Å; K495-T497 VanDerWaalsContact C-N 3.34Å; K495-T497 PolarHBondContact O-N 3.39Å; K495-M498 PolarHBondContact O-N 3Å; K495-I499 WeakPolarHBondContact O-CB 3.29Å; K495-I499 WeakPolarHBondContact O-CD1 3.34Å; K495-I499 WeakPolarHBondContact O-CG1 3.45Å; K495-I499 PolarHBondContact O-N 3.45Å
496	I	95	Very high	95.1	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-48.9	177.2	-62	167.8	0	0	0	110	A204 L208 I211 I376 I492 M498 I499 H500	A204-I496 HydrophobicContact CB-CD1 3.89Å; L208-I496 HydrophobicContact CD2-CG2 3.63Å; I211-I496 HydrophobicContact CD1-CB 3.86Å; I211-I496 HydrophobicContact CD1-CG2 3.37Å; I211-I496 HydrophobicContact CG2-CG2 4.39Å; I376-I496 HydrophobicContact CD1-CB 4.37Å; I376-I496 HydrophobicContact CD1-CD1 4.22Å; I376-I496 HydrophobicContact CD1-CG1 3.3Å; I492-I496 HydrophobicContact CG2-CD1 3.51Å; I492-I496 HydrophobicContact CG2-CG1 4.23Å; I492-I496 VanDerWaalsContact O-CG1 3.29Å; I492-I496 WeakPolarHBondContact O-CG1 3.48Å; I492-I496 PolarHBondContact O-N 3.39Å; I496-M498 PolarHBondContact O-N 3.01Å; I496-I499 PolarHBondContact O-N 3Å; I496-H500 PolarHBondContact O-CD2 3.12Å; I496-H500 VanDerWaalsContact O-CD2 3.23Å; I496-H500 PolarHBondContact O-N 3.3Å
497	T	96.9	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.8	-44.2	-176.4	-53.8	0	0	0	0	111.7	F214 F234 L237 M339 Q493 F494 K495 H500 L501	F214-T497 HydrophobicContact CD1-CG2 4.43Å; F214-T497 HydrophobicContact CE1-CG2 4.02Å; F234-T497 HydrophobicContact CD1-CG2 4.32Å; F234-T497 HydrophobicContact CE1-CG2 3.82Å; L237-T497 HydrophobicContact CD2-CG2 3.55Å; M339-T497 VanDerWaalsContact SD-CB 3.56Å; M339-T497 HydrophobicContact SD-CG2 3.58Å; M339-T497 VanDerWaalsContact SD-CG2 3.58Å; Q493-T497 VanDerWaalsContact O-CB 3.3Å; Q493-T497 WeakPolarHBondContact O-CB 3.48Å; Q493-T497 PolarHBondContact O-N 2.97Å; Q493-T497 VanDerWaalsContact O-N 3.14Å; Q493-T497 PolarHBondContact O-OG1 3.43Å; F494-T497 PolarHBondContact O-N 2.96Å; K495-T497 VanDerWaalsContact C-N 3.34Å; K495-T497 PolarHBondContact O-N 3.39Å; T497-H500 PolarHBondContact O-N 2.96Å; T497-L501 VanDerWaalsContact O-CB 3.28Å; T497-L501 WeakPolarHBondContact O-CB 3.49Å; T497-L501 PolarHBondContact O-N 2.99Å
498	M	97.6	Very high	95.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-39.5	178.4	-67.5	-57.3	94.2	0	0	112.2	F234 M339 A342 L382 F494 K495 I496 L501 L502	F234-M498 HydrophobicContact CE1-CE 3.82Å; F234-M498 HydrophobicContact CZ-CE 3.66Å; M339-M498 HydrophobicContact CB-CE 3.88Å; M339-M498 HydrophobicContact CG-CE 3.83Å; M339-M498 HydrophobicContact SD-CE 4.05Å; A342-M498 HydrophobicContact CB-SD 4.16Å; L382-M498 HydrophobicContact CD1-CB 4.26Å; F494-M498 HydrophobicContact CD1-CG 3.88Å; F494-M498 HydrophobicContact CD2-CG 4.46Å; F494-M498 HydrophobicContact CE1-CB 4.46Å; F494-M498 HydrophobicContact CE1-CG 3.58Å; F494-M498 HydrophobicContact CE2-CG 4.22Å; F494-M498 HydrophobicContact CG-CG 4.31Å; F494-M498 HydrophobicContact CZ-CG 3.78Å; F494-M498 HydrophobicContact CZ-SD 4.41Å; F494-M498 WeakPolarHBondContact O-CB 3.4Å; F494-M498 VanDerWaalsContact O-CG 3.29Å; F494-M498 WeakPolarHBondContact O-CG 3.45Å; F494-M498 PolarHBondContact O-N 3.36Å; K495-M498 PolarHBondContact O-N 3Å; I496-M498 PolarHBondContact O-N 3.01Å; M498-L501 HydrophobicContact CE-CD2 3.99Å; M498-L501 PolarHBondContact O-N 3.29Å; M498-L501 HydrophobicContact SD-CD2 4.42Å; M498-L502 WeakPolarHBondContact O-CB 3.26Å; M498-L502 VanDerWaalsContact O-CG 3.28Å; M498-L502 WeakPolarHBondContact O-CG 3.28Å; M498-L502 PolarHBondContact O-N 2.91Å
499	I	96.1	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-54.8	173.2	-74.5	163.8	0	0	0	110.3	I360 F364 I376 M379 L382 K495 I496 L501 L502 R503	I360-I499 HydrophobicContact CD1-CG1 4.3Å; I360-I499 HydrophobicContact CG1-CG1 4.24Å; I360-I499 HydrophobicContact CG2-CG2 4.07Å; F364-I499 HydrophobicContact CD2-CG2 4.44Å; F364-I499 HydrophobicContact CE2-CD1 4.27Å; F364-I499 HydrophobicContact CE2-CG2 3.38Å; F364-I499 HydrophobicContact CZ-CG2 3.65Å; I376-I499 HydrophobicContact CD1-CD1 4.31Å; I376-I499 HydrophobicContact CG1-CD1 3.52Å; M379-I499 HydrophobicContact CE-CD1 4.08Å; M379-I499 HydrophobicContact SD-CD1 3.69Å; M379-I499 HydrophobicContact SD-CG1 4.1Å; L382-I499 HydrophobicContact CD2-CD1 3.62Å; L382-I499 HydrophobicContact CD2-CG1 3.68Å; K495-I499 WeakPolarHBondContact O-CB 3.29Å; K495-I499 WeakPolarHBondContact O-CD1 3.34Å; K495-I499 WeakPolarHBondContact O-CG1 3.45Å; K495-I499 PolarHBondContact O-N 3.45Å; I496-I499 PolarHBondContact O-N 3Å; I499-L501 VanDerWaalsContact C-N 3.29Å; I499-L501 PolarHBondContact O-N 3.43Å; I499-L502 PolarHBondContact O-N 3.09Å; I499-R503 HydrophobicContact CG2-CG 4.32Å; I499-R503 VanDerWaalsContact O-CB 3.28Å; I499-R503 WeakPolarHBondContact O-CB 3.44Å; I499-R503 WeakPolarHBondContact O-CG 3.47Å; I499-R503 PolarHBondContact O-N 3.25Å
500	H	95.6	Very high	96.1	Very high	21 Å²	21	17.7 Å²	17.7	10%	0.097	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-36.9	-178.3	-85	-84.1	0	0	0	112	I211 I215 E372 I496 T497 N504	I211-H500 HydrophobicContact CG2-CB 3.8Å; I215-H500 HydrophobicContact CD1-CB 4.14Å; I215-H500 HydrophobicContact CG1-CB 3.85Å; E372-H500 VanDerWaalsContact CD-NE2 3.33Å; E372-H500 IonicContact OE1-CD2 3.03Å; E372-H500 PolarHBondContact OE1-CD2 3.33Å; E372-H500 VanDerWaalsContact OE1-CD2 3.27Å; E372-H500 IonicContact OE1-CE1 3.27Å; E372-H500 IonicContact OE1-NE2 2.65Å; E372-H500 PolarHBondContact OE1-NE2 3.46Å; E372-H500 IonicContact OE2-CE1 3.87Å; E372-H500 IonicContact OE2-NE2 2.75Å; E372-H500 PolarHBondContact OE2-NE2 3.32Å; I496-H500 PolarHBondContact O-CD2 3.12Å; I496-H500 VanDerWaalsContact O-CD2 3.23Å; I496-H500 PolarHBondContact O-N 3.3Å; T497-H500 PolarHBondContact O-N 2.96Å; H500-N504 PolarHBondContact O-ND2 3.28Å
501	L	97.8	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-54.4	175.3	-177	66.9	0	0	0	111.7	I215 L218 I230 F234 T497 M498 I499 R503 N504 Y505 L507	I215-L501 HydrophobicContact CD1-CB 4.16Å; I215-L501 HydrophobicContact CD1-CD1 4.31Å; L218-L501 HydrophobicContact CD1-CD1 3.67Å; I230-L501 HydrophobicContact CD1-CD1 4.31Å; I230-L501 HydrophobicContact CD1-CD2 4.09Å; F234-L501 HydrophobicContact CZ-CD2 4.07Å; T497-L501 VanDerWaalsContact O-CB 3.28Å; T497-L501 WeakPolarHBondContact O-CB 3.49Å; T497-L501 PolarHBondContact O-N 2.99Å; M498-L501 HydrophobicContact CE-CD2 3.99Å; M498-L501 PolarHBondContact O-N 3.29Å; M498-L501 HydrophobicContact SD-CD2 4.42Å; I499-L501 VanDerWaalsContact C-N 3.29Å; I499-L501 PolarHBondContact O-N 3.43Å; L501-R503 VanDerWaalsContact C-N 3.33Å; L501-R503 PolarHBondContact O-N 3.21Å; L501-N504 PolarHBondContact O-N 3.37Å; L501-N504 VanDerWaalsContact O-N 3.15Å; L501-Y505 HydrophobicContact CD1-CD2 4.08Å; L501-Y505 PolarHBondContact O-N 3.3Å; L501-L507 HydrophobicContact CD1-CD2 4.26Å; L501-L507 HydrophobicContact CD2-CD1 3.98Å; L501-L507 HydrophobicContact CD2-CD2 4.16Å; L501-L507 HydrophobicContact CG-CD2 4.17Å
502	L	97.5	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-74.5	-21.5	-174	-65.9	174.7	0	0	0	113.6	L346 Q353 L356 Q357 I360 M498 I499 N504 L507 R539	L346-L502 HydrophobicContact CD1-CD1 4.05Å; L346-L502 HydrophobicContact CD1-CD2 4.44Å; Q353-L502 HydrophobicContact CG-CD2 3.85Å; L356-L502 HydrophobicContact CD2-CD1 3.34Å; L356-L502 HydrophobicContact CG-CD1 3.8Å; Q357-L502 HydrophobicContact CG-CB 4.02Å; I360-L502 HydrophobicContact CD1-CB 4Å; I360-L502 HydrophobicContact CD1-CD1 4.04Å; M498-L502 WeakPolarHBondContact O-CB 3.26Å; M498-L502 VanDerWaalsContact O-CG 3.28Å; M498-L502 WeakPolarHBondContact O-CG 3.28Å; M498-L502 PolarHBondContact O-N 2.91Å; I499-L502 PolarHBondContact O-N 3.09Å; L502-N504 VanDerWaalsContact C-N 3.28Å; L502-L507 HydrophobicContact CD2-CD1 4.24Å; L502-L507 HydrophobicContact CD2-CG 4.34Å; L502-R539 WeakPolarHBondContact O-CD 3.5Å
503	R	94.8	Very high	96.4	Very high	53 Å²	53	28.3 Å²	28.3	20%	0.2	15%	0.145	C	C	.	.	H	α-helix	trans	-71.7	-22.3	170.4	-77.2	-173.3	79.7	-177.7	6.3	113.1	I360 I499 L501 R541	I360-R503 HydrophobicContact CG2-CG 3.4Å; I499-R503 HydrophobicContact CG2-CG 4.32Å; I499-R503 VanDerWaalsContact O-CB 3.28Å; I499-R503 WeakPolarHBondContact O-CB 3.44Å; I499-R503 WeakPolarHBondContact O-CG 3.47Å; I499-R503 PolarHBondContact O-N 3.25Å; L501-R503 VanDerWaalsContact C-N 3.33Å; L501-R503 PolarHBondContact O-N 3.21Å; R503-R541 PolarHBondContact O-NE 3.39Å; R503-R541 PolarHBondContact O-NH2 3.32Å
504	N	96.2	Very high	96.3	Very high	58 Å²	58	30.1 Å²	30.1	31%	0.31	15%	0.153	S	C	.	.	H	α-helix	trans	-109.4	-29.2	-175	-72.8	-76.8	0	0	0	113.2	I215 H500 L501 L502 R539	I215-N504 HydrophobicContact CG2-CB 4.02Å; H500-N504 PolarHBondContact O-ND2 3.28Å; L501-N504 PolarHBondContact O-N 3.37Å; L501-N504 VanDerWaalsContact O-N 3.15Å; L502-N504 VanDerWaalsContact C-N 3.28Å; N504-R539 PolarHBondContact O-N 2.88Å
505	Y	97.8	Very high	96	Very high	9 Å²	9	34 Å²	34	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.4	-171.9	-54.5	-69.3	0	0	0	113.1	I215 L218 R219 A222 Q357 L501 I536 T537 K538	I215-Y505 HydrophobicContact CG2-CE2 3.88Å; I215-Y505 PolarHBondContact O-OH 3.32Å; L218-Y505 HydrophobicContact CB-CE2 3.89Å; L218-Y505 HydrophobicContact CD1-CE2 4.3Å; R219-Y505 WeakPolarHBondContact CA-OH 3.22Å; R219-Y505 PolarHBondContact N-OH 3.19Å; A222-Y505 HydrophobicContact CB-CD1 3.79Å; A222-Y505 HydrophobicContact CB-CE1 3.45Å; A222-Y505 VanDerWaalsContact CB-CE1 3.45Å; Q357-Y505 PolarHBondContact NE2-O 3.42Å; L501-Y505 HydrophobicContact CD1-CD2 4.08Å; L501-Y505 PolarHBondContact O-N 3.3Å; Y505-I536 HydrophobicContact CD1-CD1 4.03Å; Y505-I536 HydrophobicContact CD1-CG1 4.46Å; Y505-I536 HydrophobicContact CD2-CD1 4.34Å; Y505-I536 HydrophobicContact CE1-CD1 4.23Å; Y505-I536 HydrophobicContact CE2-CD1 4.48Å; Y505-I536 HydrophobicContact CG-CD1 4.09Å; Y505-T537 CarbonylContact C-O 3.55Å; Y505-T537 VanDerWaalsContact CA-O 3.25Å; Y505-T537 WeakPolarHBondContact CA-O 3.42Å; Y505-K538 HydrophobicContact CE1-CG 4.46Å
506	N	97.9	Very high	95.7	Very high	48 Å²	48	38.1 Å²	38.1	26%	0.257	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.7	160.5	-57.6	-46.7	0	0	0	108.6	Q353 Q357 I536 T537	Q353-N506 VanDerWaalsContact OE1-CA 3.29Å; Q357-N506 PolarHBondContact NE2-OD1 3.46Å; Q357-N506 PolarHBondContact OE1-OD1 2.94Å; N506-I536 VanDerWaalsContact O-CA 3.3Å; N506-I536 WeakPolarHBondContact O-CA 3.39Å; N506-T537 PolarHBondContact N-O 3.36Å; N506-T537 PolarHBondContact O-N 3.01Å; N506-T537 VanDerWaalsContact O-N 3.07Å
507	L	98.2	Very high	95.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	138.5	177.6	-48.9	-178.7	0	0	0	109.8	L346 A347 Q353 L501 L502 I536	L346-L507 HydrophobicContact CB-CD1 4.4Å; A347-L507 HydrophobicContact CB-CB 3.95Å; Q353-L507 PolarHBondContact NE2-O 3.38Å; L501-L507 HydrophobicContact CD1-CD2 4.26Å; L501-L507 HydrophobicContact CD2-CD1 3.98Å; L501-L507 HydrophobicContact CD2-CD2 4.16Å; L501-L507 HydrophobicContact CG-CD2 4.17Å; L502-L507 HydrophobicContact CD2-CD1 4.24Å; L502-L507 HydrophobicContact CD2-CG 4.34Å; L507-I536 HydrophobicContact CD2-CG2 3.53Å
508	S	97.8	Very high	95.1	Very high	13 Å²	13	45.3 Å²	45.3	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	145.7	176.2	-73.1	0	0	0	0	111.8	R350 Q535	R350-S508 PolarHBondContact NH2-OG 3.49Å; S508-Q535 PolarHBondContact N-O 2.82Å; S508-Q535 PolarHBondContact O-N 3.16Å
509	L	97.3	Very high	94.5	Very high	49 Å²	49	46 Å²	46	26%	0.257	24%	0.235	S	C	.	.			trans	-67.1	146.3	164.9	-56.8	-175.7	0	0	0	109.3	A347 K348 S513 D515 L534	A347-L509 HydrophobicContact CB-CD2 3.82Å; A347-L509 HydrophobicContact CB-CG 4.26Å; K348-L509 HydrophobicContact CB-CD1 3.95Å; K348-L509 HydrophobicContact CB-CG 4.46Å; K348-L509 HydrophobicContact CG-CD1 4.18Å; L509-S513 WeakPolarHBondContact CA-OG 3.46Å; L509-D515 HydrophobicContact CD1-CB 4.33Å; L509-L534 HydrophobicContact CD2-CD2 3.69Å
510	C	95.5	Very high	93.7	Very high	25 Å²	25	51.2 Å²	51.2	17%	0.169	26%	0.258	C	S	.	.			trans	-126.7	-178.3	-178.2	67.4	0	0	0	0	110.2	E227 S512 S513 Q535	E227-C510 HydrophobicContact CG-CB 3.76Å; E227-C510 VanDerWaalsContact OE1-CB 3.31Å; E227-C510 WeakPolarHBondContact OE1-CB 3.5Å; C510-S512 VanDerWaalsContact C-N 3.25Å; C510-S512 PolarHBondContact O-N 3.27Å; C510-S513 PolarHBondContact N-OG 3.45Å; C510-S513 WeakPolarHBondContact O-CB 3.31Å; C510-S513 PolarHBondContact O-N 3.49Å; C510-S513 VanDerWaalsContact O-N 3.08Å; C510-S513 PolarHBondContact O-OG 3.49Å; C510-S513 PolarHBondContact SG-OG 3.36Å; C510-Q535 HydrophobicContact CB-CB 4.06Å
511	K	94.4	Very high	92.7	Very high	205 Å²	205	50.6 Å²	50.6	89%	0.891	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.7	-174.9	-70.2	-179.7	-179.6	176.9	0	112.1	E227 S513	E227-K511 PolarHBondContact OE1-N 3.1Å; E227-K511 VanDerWaalsContact OE1-N 3.1Å; K511-S513 VanDerWaalsContact C-N 3.34Å
512	S	95.3	Very high	91.4	Very high	72 Å²	72	51.2 Å²	51.2	50%	0.503	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.1	177.5	-54.6	0	0	0	0	113.8	E227 C510 Q514	E227-S512 WeakPolarHBondContact OE2-CB 3.41Å; E227-S512 PolarHBondContact OE2-N 3.29Å; E227-S512 PolarHBondContact OE2-OG 3.13Å; C510-S512 VanDerWaalsContact C-N 3.25Å; C510-S512 PolarHBondContact O-N 3.27Å; S512-Q514 PolarHBondContact O-N 3.26Å
513	S	96	Very high	89.9	Confident	20 Å²	20	52.2 Å²	52.2	14%	0.14	27%	0.269	C	S	.	.			trans	-68.6	131.1	177.5	-64.7	0	0	0	0	111.1	L509 C510 K511 V533	L509-S513 WeakPolarHBondContact CA-OG 3.46Å; C510-S513 PolarHBondContact N-OG 3.45Å; C510-S513 WeakPolarHBondContact O-CB 3.31Å; C510-S513 PolarHBondContact O-N 3.49Å; C510-S513 VanDerWaalsContact O-N 3.08Å; C510-S513 PolarHBondContact O-OG 3.49Å; C510-S513 PolarHBondContact SG-OG 3.36Å; K511-S513 VanDerWaalsContact C-N 3.34Å; S513-V533 WeakPolarHBondContact CB-O 3.19Å; S513-V533 PolarHBondContact OG-O 3.22Å
514	Q	91.8	Very high	88.9	Confident	41 Å²	41	50 Å²	50	19%	0.192	26%	0.262	C	S	.	.			trans	-79.2	122.1	171	-59.9	-164.2	4.5	0	0	110.9	W344 S512 E530	W344-Q514 PolarHBondContact NE1-O 3.39Å; S512-Q514 PolarHBondContact O-N 3.26Å; Q514-E530 PolarHBondContact NE2-OE1 2.82Å; Q514-E530 PolarHBondContact NE2-OE2 3.12Å
515	D	90.7	Very high	88.1	Confident	84 Å²	84	47.5 Å²	47.5	45%	0.449	25%	0.249	S	C	.	.	S	Bend	trans	-138.3	118.3	169.5	-171.7	21.9	0	0	0	110	W344 K348 L509	W344-D515 HydrophobicContact CZ2-CB 4.44Å; W344-D515 VanDerWaalsContact CZ2-OD1 3.26Å; W344-D515 WeakPolarHBondContact CZ2-OD1 3.35Å; K348-D515 WeakPolarHBondContact CE-OD1 3.25Å; K348-D515 WeakPolarHBondContact CE-OD2 2.95Å; K348-D515 IonicContact NZ-OD1 2.72Å; K348-D515 PolarHBondContact NZ-OD1 3.32Å; K348-D515 IonicContact NZ-OD2 3.4Å; K348-D515 PolarHBondContact NZ-OD2 2.81Å; L509-D515 HydrophobicContact CD1-CB 4.33Å
516	P	89.9	Confident	87.6	Confident	99 Å²	99	47.3 Å²	47.3	64%	0.643	25%	0.249	S	C	*	.	S	Bend	cis	-65.5	145.6	-4.4	29.5	-35.4	0	0	0	112.3	R518	P516-R518 PolarHBondContact O-N 3.49Å
517	I	90.4	Very high	87.1	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.082	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-65.1	129.7	176.4	-167.2	165.5	0	0	0	110.7	F341 W344 F393 P528 V532	F341-I517 HydrophobicContact CD1-CD1 4.11Å; F341-I517 HydrophobicContact CD1-CG2 4.22Å; F341-I517 HydrophobicContact CE1-CD1 3.98Å; F341-I517 HydrophobicContact CE1-CG1 4.42Å; F341-I517 HydrophobicContact CE1-CG2 4.04Å; W344-I517 HydrophobicContact CB-CD1 4.3Å; W344-I517 HydrophobicContact CD2-CB 3.88Å; W344-I517 HydrophobicContact CD2-CD1 4.29Å; W344-I517 HydrophobicContact CD2-CG2 3.76Å; W344-I517 HydrophobicContact CE3-CB 4.32Å; W344-I517 HydrophobicContact CE3-CG2 3.67Å; W344-I517 HydrophobicContact CG-CB 4.33Å; W344-I517 HydrophobicContact CG-CD1 3.96Å; W344-I517 HydrophobicContact CH2-CB 4.27Å; W344-I517 HydrophobicContact CH2-CG2 3.76Å; W344-I517 HydrophobicContact CZ2-CB 3.79Å; W344-I517 HydrophobicContact CZ2-CG2 3.81Å; W344-I517 VanDerWaalsContact CZ2-N 3.31Å; W344-I517 HydrophobicContact CZ3-CG2 3.68Å; F393-I517 HydrophobicContact CE1-CG2 4.18Å; F393-I517 HydrophobicContact CZ-CG2 3.97Å; I517-P528 HydrophobicContact CD1-CB 4.07Å; I517-P528 HydrophobicContact CD1-CG 4.27Å; I517-V532 HydrophobicContact CD1-CG2 3.85Å
518	R	87.6	Confident	86.7	Confident	136 Å²	136	46.8 Å²	46.8	51%	0.513	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-84.8	138	176.1	-68.3	169.9	-180	178.5	5.3	109.9	N111 P516 S529	N111-R518 HydrophobicContact CB-CB 4.15Å; N111-R518 HydrophobicContact CB-CG 4.37Å; P516-R518 PolarHBondContact O-N 3.49Å; R518-S529 VanDerWaalsContact CB-OG 3.24Å; R518-S529 WeakPolarHBondContact CB-OG 3.45Å; R518-S529 PolarHBondContact O-N 3.26Å; R518-S529 PolarHBondContact O-OG 3.1Å
519	T	85	Confident	86.2	Confident	16 Å²	16	47.9 Å²	47.9	10%	0.098	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.8	174.4	69.9	0	0	0	0	110.7	N111 F341 F393 K527	N111-T519 VanDerWaalsContact CA-O 3.24Å; N111-T519 WeakPolarHBondContact CA-O 3.28Å; N111-T519 WeakPolarHBondContact CB-O 3.34Å; N111-T519 PolarHBondContact O-OG1 2.99Å; N111-T519 PolarHBondContact OD1-O 3.33Å; F341-T519 HydrophobicContact CE1-CG2 4.13Å; F341-T519 HydrophobicContact CZ-CG2 3.86Å; F393-T519 HydrophobicContact CD1-CG2 4.27Å; F393-T519 HydrophobicContact CE1-CG2 4.18Å; T519-K527 CarbonylContact C-O 3.56Å; T519-K527 VanDerWaalsContact CA-O 3.27Å; T519-K527 WeakPolarHBondContact CA-O 3.26Å
520	K	79.2	Confident	85.8	Confident	110 Å²	110	51.6 Å²	51.6	48%	0.478	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	165	-176.3	177.7	-178.6	-177.3	0	107.6	I526 K527	K520-I526 CarbonylContact O-C 3.59Å; K520-I526 WeakPolarHBondContact O-CA 3.45Å; K520-K527 HydrophobicContact CB-CG 4.43Å; K520-K527 PolarHBondContact N-O 3.42Å; K520-K527 PolarHBondContact O-N 3.5Å
521	S	76.6	Confident	85.6	Confident	7 Å²	7	51 Å²	51	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142	172.5	-172.8	0	0	0	0	110.9	Q114 G523 T525	Q114-S521 PolarHBondContact NE2-OG 3.02Å; S521-G523 PolarHBondContact OG-N 2.78Å; S521-G523 VanDerWaalsContact OG-N 3.09Å; S521-T525 VanDerWaalsContact CA-O 3.22Å; S521-T525 PolarHBondContact OG-O 3.32Å; S521-T525 WeakPolarHBondContact CB-O 3.48Å; S521-T525 WeakPolarHBondContact CA-O 3.33Å
522	N	69.5	Low	85.8	Confident	14 Å²	14	41.3 Å²	41.3	8%	0.075	22%	0.224	C	C	.	.			trans	-95.7	14	168.2	61.2	12.4	0	0	0	112	F269 L272 F273 A524 T525	F269-N522 PolarHBondContact O-ND2 3.27Å; L272-N522 CarbonylContact C-O 3.59Å; L272-N522 HydrophobicContact CB-CB 4.46Å; F273-N522 WeakPolarHBondContact CD1-O 3.17Å; F273-N522 VanDerWaalsContact CD2-O 3.24Å; F273-N522 WeakPolarHBondContact CD2-O 3.38Å; F273-N522 VanDerWaalsContact CE1-C 3.49Å; F273-N522 VanDerWaalsContact CE1-O 3.31Å; F273-N522 WeakPolarHBondContact CE1-O 3.46Å; F273-N522 VanDerWaalsContact CE2-CA 3.42Å; F273-N522 HydrophobicContact CE2-CB 4.23Å; F273-N522 VanDerWaalsContact CE2-O 3.24Å; F273-N522 WeakPolarHBondContact CE2-O 3.31Å; F273-N522 VanDerWaalsContact CG-O 3.29Å; F273-N522 WeakPolarHBondContact CG-O 3.04Å; F273-N522 VanDerWaalsContact CZ-O 3.27Å; F273-N522 WeakPolarHBondContact CZ-O 3.36Å; N522-A524 VanDerWaalsContact C-N 3.31Å; N522-A524 PolarHBondContact O-N 3.44Å; N522-A524 PolarHBondContact OD1-N 3.03Å; N522-T525 PolarHBondContact N-O 3.02Å; N522-T525 PolarHBondContact ND2-OG1 3Å; N522-T525 PolarHBondContact OD1-N 2.96Å; N522-T525 PolarHBondContact OD1-O 2.82Å; N522-T525 PolarHBondContact OD1-OG1 3.17Å
523	G	67	Low	85.9	Confident	21 Å²	21	39.6 Å²	39.6	22%	0.216	21%	0.21	C	C	.	.	S	Bend	trans	89.3	-14.2	-175.7	0	0	0	0	0	114.5	L398 S521	L398-G523 WeakPolarHBondContact CD1-O 3.3Å; S521-G523 PolarHBondContact OG-N 2.78Å; S521-G523 VanDerWaalsContact OG-N 3.09Å
524	A	72.9	Confident	86	Confident	7 Å²	7	38.6 Å²	38.6	6%	0.058	20%	0.204	C	C	.	.	S	Bend	trans	-121.3	-46.7	176.2	0	0	0	0	0	112.5	V397 L399 N522	V397-A524 WeakPolarHBondContact CG2-O 3.4Å; V397-A524 PolarHBondContact N-O 2.91Å; V397-A524 VanDerWaalsContact N-O 3.08Å; L399-A524 HydrophobicContact CD1-CB 4.3Å; L399-A524 HydrophobicContact CD2-CB 3.74Å; L399-A524 HydrophobicContact CG-CB 3.93Å; N522-A524 VanDerWaalsContact C-N 3.31Å; N522-A524 PolarHBondContact O-N 3.44Å; N522-A524 PolarHBondContact OD1-N 3.03Å
525	T	80.1	Confident	86.3	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.031	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-112.9	163.2	-179.3	68.8	0	0	0	0	111.6	F269 P395 L396 S521 N522	F269-T525 HydrophobicContact CD1-CG2 4.32Å; F269-T525 HydrophobicContact CE1-CG2 4.11Å; P395-T525 CarbonylContact O-C 3.47Å; P395-T525 WeakPolarHBondContact O-CA 3.24Å; P395-T525 VanDerWaalsContact O-CB 3.22Å; P395-T525 WeakPolarHBondContact O-CB 3.44Å; L396-T525 HydrophobicContact CD2-CG2 3.37Å; S521-T525 VanDerWaalsContact CA-O 3.22Å; S521-T525 PolarHBondContact OG-O 3.32Å; S521-T525 WeakPolarHBondContact CB-O 3.48Å; S521-T525 WeakPolarHBondContact CA-O 3.33Å; N522-T525 PolarHBondContact N-O 3.02Å; N522-T525 PolarHBondContact ND2-OG1 3Å; N522-T525 PolarHBondContact OD1-N 2.96Å; N522-T525 PolarHBondContact OD1-O 2.82Å; N522-T525 PolarHBondContact OD1-OG1 3.17Å
526	I	85.6	Confident	86.6	Confident	5 Å²	5	35.3 Å²	35.3	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152.3	164.4	58.9	172.6	0	0	0	109.7	T337 F341 F393 P394 P395 V397 F426 K520	T337-I526 WeakPolarHBondContact CG2-O 3.5Å; F341-I526 HydrophobicContact CE2-CD1 4.43Å; F393-I526 HydrophobicContact CB-CD1 4.45Å; F393-I526 HydrophobicContact CD1-CD1 4.48Å; P394-I526 WeakPolarHBondContact O-CD1 3.44Å; P394-I526 VanDerWaalsContact O-CG1 3.3Å; P394-I526 WeakPolarHBondContact O-CG1 3.32Å; P395-I526 PolarHBondContact O-N 3.44Å; V397-I526 HydrophobicContact CB-CG2 4.35Å; V397-I526 HydrophobicContact CG1-CB 4.29Å; V397-I526 HydrophobicContact CG1-CD1 3.97Å; V397-I526 HydrophobicContact CG1-CG1 3.93Å; V397-I526 HydrophobicContact CG1-CG2 3.5Å; V397-I526 HydrophobicContact CG2-CG2 3.91Å; F426-I526 HydrophobicContact CD2-CD1 4.01Å; F426-I526 HydrophobicContact CE2-CD1 3.71Å; K520-I526 CarbonylContact O-C 3.59Å; K520-I526 WeakPolarHBondContact O-CA 3.45Å
527	K	87.8	Confident	86.9	Confident	34 Å²	34	32.9 Å²	32.9	15%	0.148	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	163.7	170.5	62.6	-177.1	178.4	-177	0	110.5	D270 E333 T519 K520 S529	D270-K527 IonicContact OD1-NZ 3.9Å; D270-K527 PolarHBondContact OD1-NZ 3.2Å; E333-K527 VanDerWaalsContact OE1-CD 3.32Å; E333-K527 WeakPolarHBondContact OE1-CD 3.33Å; E333-K527 IonicContact OE1-NZ 3.24Å; T519-K527 CarbonylContact C-O 3.56Å; T519-K527 VanDerWaalsContact CA-O 3.27Å; T519-K527 WeakPolarHBondContact CA-O 3.26Å; K520-K527 HydrophobicContact CB-CG 4.43Å; K520-K527 PolarHBondContact N-O 3.42Å; K520-K527 PolarHBondContact O-N 3.5Å; K527-S529 PolarHBondContact O-N 2.97Å
528	P	91	Very high	87.2	Confident	4 Å²	4	37.6 Å²	37.6	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	132.4	168.6	-23.8	34.9	0	0	0	111.1	Y231 F341 I517 E530 G531 V532	Y231-P528 HydrophobicContact CG-CG 4.4Å; F341-P528 HydrophobicContact CD1-CG 4.46Å; F341-P528 HydrophobicContact CE1-CG 3.96Å; F341-P528 HydrophobicContact CE2-CG 4.4Å; F341-P528 HydrophobicContact CZ-CG 3.93Å; I517-P528 HydrophobicContact CD1-CB 4.07Å; I517-P528 HydrophobicContact CD1-CG 4.27Å; P528-E530 VanDerWaalsContact C-N 3.34Å; P528-E530 PolarHBondContact O-N 2.89Å; P528-G531 VanDerWaalsContact CB-O 3.26Å; P528-G531 WeakPolarHBondContact CB-O 3.41Å; P528-V532 HydrophobicContact CB-CG2 3.98Å; P528-V532 HydrophobicContact CG-CG2 3.59Å
529	S	86.7	Confident	87.5	Confident	36 Å²	36	33.1 Å²	33.1	25%	0.252	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-33.7	-174.8	59.5	0	0	0	0	113.4	R518 K527	R518-S529 VanDerWaalsContact CB-OG 3.24Å; R518-S529 WeakPolarHBondContact CB-OG 3.45Å; R518-S529 PolarHBondContact O-N 3.26Å; R518-S529 PolarHBondContact O-OG 3.1Å; K527-S529 PolarHBondContact O-N 2.97Å
530	E	88	Confident	87.4	Confident	127 Å²	127	38.6 Å²	38.6	59%	0.593	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.2	28.5	-176.4	-65.8	171.9	-131.5	0	0	111.4	Q514 P528	Q514-E530 PolarHBondContact NE2-OE1 2.82Å; Q514-E530 PolarHBondContact NE2-OE2 3.12Å; P528-E530 VanDerWaalsContact C-N 3.34Å; P528-E530 PolarHBondContact O-N 2.89Å
531	G	93	Very high	87.3	Confident	12 Å²	12	38 Å²	38	12%	0.124	20%	0.2	C	C	.	.			trans	76	-165.7	-174.6	0	0	0	0	0	113.3	D229 P528	D229-G531 WeakPolarHBondContact OD1-CA 3.47Å; P528-G531 VanDerWaalsContact CB-O 3.26Å; P528-G531 WeakPolarHBondContact CB-O 3.41Å
532	V	97.3	Very high	86.4	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	24%	0.238	C	C	.	.			trans	-126.9	85.5	179.4	-179.3	0	0	0	0	108	D229 I230 W344 I517 P528 L534	D229-V532 WeakPolarHBondContact CA-O 3.24Å; D229-V532 PolarHBondContact OD1-N 2.89Å; I230-V532 HydrophobicContact CG2-CB 3.98Å; I230-V532 HydrophobicContact CG2-CG1 3.85Å; I230-V532 PolarHBondContact N-O 3.03Å; W344-V532 HydrophobicContact CB-CG1 3.81Å; I517-V532 HydrophobicContact CD1-CG2 3.85Å; P528-V532 HydrophobicContact CB-CG2 3.98Å; P528-V532 HydrophobicContact CG-CG2 3.59Å; V532-L534 HydrophobicContact CG1-CD1 3.99Å; V532-L534 HydrophobicContact CG1-CD2 4.33Å; V532-L534 HydrophobicContact CG1-CG 3.93Å
533	V	97.9	Very high	85.5	Confident	35 Å²	35	54.6 Å²	54.6	21%	0.212	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.9	179.6	-172.1	0	0	0	0	109.7	E227 F228 D229 S513	E227-V533 HydrophobicContact CB-CG1 4.02Å; F228-V533 CarbonylContact O-C 3.56Å; F228-V533 VanDerWaalsContact O-CA 3.3Å; F228-V533 WeakPolarHBondContact O-CA 3.49Å; D229-V533 HydrophobicContact CB-CG2 4.47Å; S513-V533 WeakPolarHBondContact CB-O 3.19Å; S513-V533 PolarHBondContact OG-O 3.22Å
534	L	97.6	Very high	84.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.6	-179.4	-61.4	177.9	0	0	0	110.7	E227 F228 I230 A347 L509 V532	E227-L534 WeakPolarHBondContact CA-O 3.38Å; F228-L534 PolarHBondContact N-O 3.31Å; F228-L534 PolarHBondContact O-N 3.46Å; I230-L534 HydrophobicContact CG2-CD1 3.91Å; A347-L534 HydrophobicContact CB-CD1 4.27Å; A347-L534 HydrophobicContact CB-CD2 3.64Å; L509-L534 HydrophobicContact CD2-CD2 3.69Å; V532-L534 HydrophobicContact CG1-CD1 3.99Å; V532-L534 HydrophobicContact CG1-CD2 4.33Å; V532-L534 HydrophobicContact CG1-CG 3.93Å
535	Q	97.6	Very high	82.9	Confident	56 Å²	56	63.8 Å²	63.8	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	146.3	162.5	-175	-179.1	66.5	0	0	109.1	L225 S508 C510	L225-Q535 PolarHBondContact O-NE2 3.22Å; S508-Q535 PolarHBondContact N-O 2.82Å; S508-Q535 PolarHBondContact O-N 3.16Å; C510-Q535 HydrophobicContact CB-CB 4.06Å
536	I	97.8	Very high	80.9	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148.1	175.6	65.9	177.1	0	0	0	111.2	L218 A222 F228 Y505 N506 L507	L218-I536 HydrophobicContact CB-CD1 3.87Å; A222-I536 HydrophobicContact CB-CD1 4.02Å; A222-I536 HydrophobicContact CB-CG1 3.9Å; F228-I536 HydrophobicContact CE1-CB 4.41Å; F228-I536 HydrophobicContact CE1-CD1 3.96Å; F228-I536 HydrophobicContact CE1-CG1 3.86Å; F228-I536 HydrophobicContact CE1-CG2 3.89Å; F228-I536 HydrophobicContact CZ-CD1 3.93Å; F228-I536 HydrophobicContact CZ-CG1 4.3Å; F228-I536 HydrophobicContact CZ-CG2 4Å; Y505-I536 HydrophobicContact CD1-CD1 4.03Å; Y505-I536 HydrophobicContact CD1-CG1 4.46Å; Y505-I536 HydrophobicContact CD2-CD1 4.34Å; Y505-I536 HydrophobicContact CE1-CD1 4.23Å; Y505-I536 HydrophobicContact CE2-CD1 4.48Å; Y505-I536 HydrophobicContact CG-CD1 4.09Å; N506-I536 VanDerWaalsContact O-CA 3.3Å; N506-I536 WeakPolarHBondContact O-CA 3.39Å; L507-I536 HydrophobicContact CD2-CG2 3.53Å
537	T	97.1	Very high	78.6	Confident	47 Å²	47	74.8 Å²	74.8	29%	0.288	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.9	172	64.9	0	0	0	0	109.7	L225 Y505 N506 R539	L225-T537 HydrophobicContact CD2-CG2 3.8Å; Y505-T537 CarbonylContact C-O 3.55Å; Y505-T537 VanDerWaalsContact CA-O 3.25Å; Y505-T537 WeakPolarHBondContact CA-O 3.42Å; N506-T537 PolarHBondContact N-O 3.36Å; N506-T537 PolarHBondContact O-N 3.01Å; N506-T537 VanDerWaalsContact O-N 3.07Å; T537-R539 PolarHBondContact O-N 3.11Å
538	K	95.8	Very high	76.1	Confident	116 Å²	116	84.2 Å²	84.2	50%	0.504	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	134.5	171.8	-70.4	-179.1	-178.8	163.4	0	110.7	A222 D223 Y505	A222-K538 HydrophobicContact CB-CG 4.23Å; D223-K538 WeakPolarHBondContact OD1-CE 3.42Å; D223-K538 IonicContact OD1-NZ 2.59Å; D223-K538 PolarHBondContact OD1-NZ 3.46Å; D223-K538 IonicContact OD2-NZ 3.77Å; Y505-K538 HydrophobicContact CE1-CG 4.46Å
539	R	93.6	Very high	75.4	Confident	42 Å²	42	88.3 Å²	88.3	16%	0.158	46%	0.462	C	S	.	.			trans	-89.4	120.6	176.7	-174.5	177.2	-178.3	-103.9	-12.7	110	D361 L502 N504 T537 R541	D361-R539 IonicContact OD1-CZ 3.9Å; D361-R539 IonicContact OD1-NH1 3.53Å; D361-R539 PolarHBondContact OD1-NH1 3.12Å; D361-R539 IonicContact OD2-CZ 3.15Å; D361-R539 IonicContact OD2-NH1 2.66Å; D361-R539 PolarHBondContact OD2-NH1 3.05Å; D361-R539 IonicContact OD2-NH2 2.64Å; D361-R539 PolarHBondContact OD2-NH2 3.25Å; L502-R539 WeakPolarHBondContact O-CD 3.5Å; N504-R539 PolarHBondContact O-N 2.88Å; T537-R539 PolarHBondContact O-N 3.11Å; R539-R541 PolarHBondContact O-N 3.2Å
540	V	83.5	Confident	74.8	Confident	130 Å²	130	91 Å²	91	79%	0.788	47%	0.474	S	S	*	.			trans	-81.3	112.7	167.3	-177.1	0	0	0	0	107.5	Q542	V540-Q542 PolarHBondContact O-N 3.07Å
541	R	76.6	Confident	74	Confident	99 Å²	99	89 Å²	89	37%	0.374	47%	0.467	S	S	.	.			trans	-75.5	121.9	173.9	-59.3	-171.6	-165.9	155.7	9.4	107.9	R503 R539 F543	R503-R541 PolarHBondContact O-NE 3.39Å; R503-R541 PolarHBondContact O-NH2 3.32Å; R539-R541 PolarHBondContact O-N 3.2Å; R541-F543 VanDerWaalsContact C-N 3.32Å; R541-F543 PolarHBondContact O-N 3.48Å
542	Q	57.6	Low	72.9	Confident	183 Å²	183	93.5 Å²	93.5	86%	0.855	49%	0.487	S	S	*	.			trans	-70.4	97.2	166.9	-68.1	-178.4	-2.7	0	0	106.8	V540 N544	V540-Q542 PolarHBondContact O-N 3.07Å; Q542-N544 PolarHBondContact O-N 2.87Å; Q542-N544 VanDerWaalsContact O-N 3.14Å
543	F	51.3	Low	71.4	Confident	185 Å²	185	99.3 Å²	99.3	81%	0.811	52%	0.517	S	S	*	.			trans	-65.5	111.8	168.1	-140.3	-91	0	0	0	105.7	R541 P545	R541-F543 VanDerWaalsContact C-N 3.32Å; R541-F543 PolarHBondContact O-N 3.48Å; F543-P545 WeakPolarHBondContact O-CD 3.35Å
544	N	43.4	Very low	69.6	Low	119 Å²	119	103.5 Å²	103.5	64%	0.636	54%	0.537	S	S	*	.			trans	-93.1	102.1	169.6	-166	3.5	0	0	0	107.7	Q542 Q546	Q542-N544 PolarHBondContact O-N 2.87Å; Q542-N544 VanDerWaalsContact O-N 3.14Å; N544-Q546 PolarHBondContact O-N 2.82Å
545	P	41.7	Very low	67.6	Low	102 Å²	102	110.9 Å²	110.9	66%	0.662	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	4.6	-178.9	26.1	-33.3	0	0	0	114.5	F543	F543-P545 WeakPolarHBondContact O-CD 3.35Å
546	Q	37.7	Very low	65.3	Low	171 Å²	171	115.2 Å²	115.2	80%	0.799	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	22.9	-175.1	-65.5	-172.5	-17.7	0	0	115.2	N544	N544-Q546 PolarHBondContact O-N 2.82Å
547	G	37.6	Very low	62.6	Low	70 Å²	70	124.8 Å²	124.8	72%	0.722	65%	0.649	S	S	*	*			trans	-114.6	66.1	173.3	0	0	0	0	0	112
548	I	35.7	Very low	59.5	Low	233 Å²	233	131.8 Å²	131.8	100%	1.195	68%	0.682	S	S	*	*			trans	-109.5	0	158.9	-64.3	177.5	0	0	0	106.8

Retrieved 548 of 548 residues in 348.9 ms (Link to these results)

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