A0A023I9D5_SPAAU Loading...

Group XIIA secretory phospholipase A2

PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Does not exhibit detectable activity toward sn-2-arachidonoyl- or linoleoyl-phosphatidylcholine or -phosphatidylethanolamine.

AlphaFold DB , UniProt , Accession A0A023I9D5, Species SPAAU (Sparus aurata, Gilthead sea bream), Gene PLA2G12A, Length 193 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.8	Very low	38.5	Very low	241 Å²	241	157.7 Å²	157.7	100%	1.187	83%	0.831	S	S	*	*				0	87.1	0	-68.1	163.7	84	0	0	107.5
2	H	32.4	Very low	39	Very low	197 Å²	197	158.8 Å²	158.8	91%	0.912	84%	0.836	S	S	*	*			trans	-115.5	125.3	168.5	-98.6	-81.1	0	0	0	107.2
3	L	35.4	Very low	38.9	Very low	168 Å²	168	152.5 Å²	152.5	88%	0.88	83%	0.833	S	S	*	*			trans	-81.5	116.3	-168.5	-137.1	76.7	0	0	0	108.9
4	N	37.1	Very low	39.4	Very low	144 Å²	144	153.7 Å²	153.7	77%	0.77	84%	0.837	S	S	*	*			trans	-92	114.9	164.7	-86.3	-6.3	0	0	0	108.8	F6	N4-F6 WeakPolarHBondContact O-CD2 3.44Å; N4-F6 PolarHBondContact O-N 3.39Å
5	S	38.2	Very low	39	Very low	106 Å²	106	151.4 Å²	151.4	74%	0.741	84%	0.835	S	S	*	*			trans	-69.6	104.6	-179.9	-178.3	0	0	0	0	110.3	T7	S5-T7 PolarHBondContact O-N 3.23Å
6	F	41.6	Very low	39.3	Very low	195 Å²	195	148.4 Å²	148.4	86%	0.855	83%	0.828	S	S	*	*			trans	-85.3	91.6	170	-78	-88.4	0	0	0	109.7	N4 C8	N4-F6 WeakPolarHBondContact O-CD2 3.44Å; N4-F6 PolarHBondContact O-N 3.39Å; F6-C8 PolarHBondContact O-N 3.35Å
7	T	41.5	Very low	39.3	Very low	125 Å²	125	148.1 Å²	148.1	77%	0.767	84%	0.836	S	S	*	*			trans	-88.4	90.2	166	44.5	0	0	0	0	109.3	S5	S5-T7 PolarHBondContact O-N 3.23Å
8	C	42.2	Very low	39.2	Very low	93 Å²	93	144 Å²	144	63%	0.628	83%	0.832	S	S	*	*			trans	-94.6	107.1	168.7	-142.6	0	0	0	0	107.8	F6 F10	F6-C8 PolarHBondContact O-N 3.35Å; C8-F10 HydrophobicContact CB-CD2 4.16Å; C8-F10 HydrophobicContact CB-CE2 3.79Å; C8-F10 PolarHBondContact O-N 3.22Å
9	V	41	Very low	39.5	Very low	130 Å²	130	145.6 Å²	145.6	79%	0.788	84%	0.837	S	S	*	*			trans	-77.5	104.2	177.5	178.7	0	0	0	0	108.4
10	F	40.1	Very low	39.1	Very low	170 Å²	170	147 Å²	147	75%	0.746	84%	0.84	S	S	*	*			trans	-93.7	107.9	173.1	-78.6	-82.9	0	0	0	110	C8	C8-F10 HydrophobicContact CB-CD2 4.16Å; C8-F10 HydrophobicContact CB-CE2 3.79Å; C8-F10 PolarHBondContact O-N 3.22Å
11	L	38.8	Very low	38.9	Very low	166 Å²	166	148.8 Å²	148.8	87%	0.869	84%	0.841	S	S	*	*			trans	-90.5	106.6	164.3	-73.4	171	0	0	0	108.5
12	L	44.4	Very low	39	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	83%	0.827	S	S	*	*			trans	-83.2	110	172.4	-83.3	161.5	0	0	0	109.6
13	G	36.9	Very low	39.1	Very low	77 Å²	77	143.2 Å²	143.2	79%	0.794	82%	0.821	S	S	*	*			trans	-119.2	107.6	166.7	0	0	0	0	0	110.3
14	L	46.4	Very low	39.3	Very low	170 Å²	170	140 Å²	140	89%	0.89	81%	0.813	S	S	*	*			trans	-86.8	115.7	169.9	-76.3	163.3	0	0	0	109.4
15	C	33.2	Very low	39.2	Very low	119 Å²	119	137.6 Å²	137.6	80%	0.804	81%	0.812	S	S	*	*			trans	-174	113.2	146.5	-109.9	0	0	0	0	112.5
16	S	44.5	Very low	39	Very low	104 Å²	104	137.6 Å²	137.6	73%	0.727	81%	0.811	S	S	*	*			trans	28.5	129.1	141.7	41.5	0	0	0	0	121.9
17	C	38.2	Very low	38.7	Very low	142 Å²	142	138.2 Å²	138.2	96%	0.959	81%	0.814	S	S	*	*			trans	72.2	114.1	155	-89	0	0	0	0	118.8
18	G	38.4	Very low	38.3	Very low	75 Å²	75	140.5 Å²	140.5	77%	0.773	82%	0.815	S	S	*	*			trans	120.4	132.2	153.2	0	0	0	0	0	114.4	L20	G18-L20 PolarHBondContact O-N 3.35Å
19	L	44.3	Very low	38.1	Very low	175 Å²	175	144.3 Å²	144.3	92%	0.916	82%	0.824	S	S	*	*			trans	-39.8	126.3	173.5	-84.4	77.1	0	0	0	112.8
20	L	32.8	Very low	38	Very low	173 Å²	173	143.4 Å²	143.4	91%	0.906	82%	0.821	S	S	*	*			trans	-156.8	119.6	147.6	-93.6	173.8	0	0	0	109.2	G18 Q22	G18-L20 PolarHBondContact O-N 3.35Å; L20-Q22 PolarHBondContact O-N 3.25Å
21	H	34.5	Very low	38.4	Very low	185 Å²	185	144.2 Å²	144.2	86%	0.856	83%	0.827	S	S	*	*			trans	-59.5	117.8	167	-88.8	165.5	0	0	0	109.5	V23	H21-V23 PolarHBondContact O-N 3.27Å
22	Q	36.3	Very low	38.8	Very low	193 Å²	193	142.1 Å²	142.1	90%	0.902	82%	0.821	S	S	*	*			trans	-83.4	94.8	166.9	-162.3	167	-9.9	0	0	108.1	L20 S24	L20-Q22 PolarHBondContact O-N 3.25Å; Q22-S24 PolarHBondContact O-N 3.29Å; Q22-S24 VanDerWaalsContact O-N 3.14Å
23	V	35.8	Very low	39.4	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	81%	0.812	S	S	*	*			trans	-71.8	103.3	171.3	177.6	0	0	0	0	107.6	H21 A25	H21-V23 PolarHBondContact O-N 3.27Å; V23-A25 PolarHBondContact O-N 3.25Å
24	S	38.7	Very low	40.5	Very low	102 Å²	102	139.5 Å²	139.5	71%	0.713	80%	0.796	S	S	*	*			trans	-78.7	106.1	168.8	-167.5	0	0	0	0	108.6	Q22 C26	Q22-S24 PolarHBondContact O-N 3.29Å; Q22-S24 VanDerWaalsContact O-N 3.14Å; S24-C26 PolarHBondContact O-N 3.14Å
25	A	36.6	Very low	41.3	Very low	92 Å²	92	138.5 Å²	138.5	76%	0.76	78%	0.78	S	S	*	*			trans	-86.8	80.2	172.6	0	0	0	0	0	109.7	V23 K27	V23-A25 PolarHBondContact O-N 3.25Å; A25-K27 PolarHBondContact O-N 3.37Å
26	C	33.3	Very low	42.1	Very low	107 Å²	107	140.2 Å²	140.2	72%	0.723	77%	0.77	S	S	*	*			trans	-71.2	110.8	160.4	-79.4	0	0	0	0	107.8	S24 H28	S24-C26 PolarHBondContact O-N 3.14Å; C26-H28 VanDerWaalsContact C-N 3.33Å; C26-H28 PolarHBondContact O-N 2.96Å
27	K	35.1	Very low	42.5	Very low	208 Å²	208	140.4 Å²	140.4	90%	0.904	76%	0.761	S	S	*	*			trans	-65.9	98.6	163.5	-76.6	-176	175.4	-177	0	107.5	A25	A25-K27 PolarHBondContact O-N 3.37Å
28	H	33.9	Very low	43.9	Very low	173 Å²	173	137.5 Å²	137.5	80%	0.801	74%	0.739	S	S	*	*			trans	-85.1	103.9	163.4	-133.9	60.9	0	0	0	105.9	C26 P30	C26-H28 VanDerWaalsContact C-N 3.33Å; C26-H28 PolarHBondContact O-N 2.96Å; H28-P30 WeakPolarHBondContact O-CD 3.49Å
29	E	36.9	Very low	44.9	Very low	173 Å²	173	138.5 Å²	138.5	81%	0.808	73%	0.725	S	S	*	*			trans	-66.8	123.5	156.7	-88.1	176.8	159.9	0	0	106.4	E31	E29-E31 PolarHBondContact O-N 3.07Å
30	P	39.8	Very low	45.4	Very low	111 Å²	111	135.1 Å²	135.1	72%	0.721	70%	0.703	S	S	*	*			trans	-68.6	109.1	174.8	26.7	-29.8	0	0	0	107.5	H28 T32	H28-P30 WeakPolarHBondContact O-CD 3.49Å; P30-T32 PolarHBondContact O-N 3Å
31	E	47.3	Very low	46.7	Very low	186 Å²	186	131.6 Å²	131.6	87%	0.869	69%	0.689	S	S	*	*			trans	-60.1	111	168.4	-68.8	-149.4	174.6	0	0	108.1	E29 P33	E29-E31 PolarHBondContact O-N 3.07Å; E31-P33 WeakPolarHBondContact O-CD 3.42Å
32	T	47.1	Very low	48.1	Very low	123 Å²	123	127.2 Å²	127.2	76%	0.755	67%	0.671	S	S	*	*			trans	-61	122	173	50.1	0	0	0	0	107.5	P30 D34	P30-T32 PolarHBondContact O-N 3Å; T32-D34 PolarHBondContact O-N 3.47Å; T32-D34 VanDerWaalsContact O-N 3.15Å
33	P	57.5	Low	49	Very low	109 Å²	109	124.3 Å²	124.3	71%	0.708	65%	0.652	S	S	*	*			trans	-57.7	125	177.5	-15.7	25.2	0	0	0	108.6	E31 W35	E31-P33 WeakPolarHBondContact O-CD 3.42Å; P33-W35 PolarHBondContact O-N 3.38Å
34	D	59.9	Low	50	Low	83 Å²	83	124.1 Å²	124.1	44%	0.444	65%	0.646	S	S	.	*			trans	-66	89.6	173	-178.4	15.3	0	0	0	108.4	T32 R36 M37 T38	T32-D34 PolarHBondContact O-N 3.47Å; T32-D34 VanDerWaalsContact O-N 3.15Å; D34-R36 PolarHBondContact O-N 3.37Å; D34-R36 WeakPolarHBondContact OD1-CB 3.26Å; D34-R36 WeakPolarHBondContact OD1-CG 3.3Å; D34-R36 PolarHBondContact OD1-N 2.83Å; D34-M37 HydrophobicContact CB-CB 4.39Å; D34-M37 HydrophobicContact CB-CG 4.39Å; D34-M37 WeakPolarHBondContact O-CB 3.38Å; D34-M37 PolarHBondContact O-N 3.3Å; D34-M37 VanDerWaalsContact OD2-CG 3.3Å; D34-M37 WeakPolarHBondContact OD2-CG 3.41Å; D34-T38 PolarHBondContact O-N 3.25Å
35	W	64.1	Low	51.2	Low	149 Å²	149	122.2 Å²	122.2	56%	0.564	64%	0.643	S	S	*	*	H	α-helix	trans	-54.4	-24.3	179.8	64.7	-88	0	0	0	111.5	P33 T38 L39	P33-W35 PolarHBondContact O-N 3.38Å; W35-T38 PolarHBondContact O-N 3Å; W35-L39 HydrophobicContact CE3-CD1 3.3Å; W35-L39 HydrophobicContact CE3-CG 4.15Å; W35-L39 HydrophobicContact CZ3-CD1 3.29Å; W35-L39 WeakPolarHBondContact O-CB 3.2Å; W35-L39 WeakPolarHBondContact O-CG 3.41Å; W35-L39 PolarHBondContact O-N 3.22Å
36	R	49.9	Very low	52.4	Low	154 Å²	154	120.5 Å²	120.5	58%	0.581	62%	0.621	S	S	*	*	H	α-helix	trans	-66.4	-36.7	175.1	-54.4	177	173	-117.8	0.5	111.6	D34 K40	D34-R36 PolarHBondContact O-N 3.37Å; D34-R36 WeakPolarHBondContact OD1-CB 3.26Å; D34-R36 WeakPolarHBondContact OD1-CG 3.3Å; D34-R36 PolarHBondContact OD1-N 2.83Å; R36-K40 WeakPolarHBondContact O-CB 3.36Å; R36-K40 WeakPolarHBondContact O-CG 3.33Å; R36-K40 PolarHBondContact O-N 3.15Å
37	M	52.9	Low	53.3	Low	109 Å²	109	123.9 Å²	123.9	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-71.7	-38.5	175.6	-81.6	-77.6	-73.1	0	0	112.1	D34 K40 T41	D34-M37 HydrophobicContact CB-CB 4.39Å; D34-M37 HydrophobicContact CB-CG 4.39Å; D34-M37 WeakPolarHBondContact O-CB 3.38Å; D34-M37 PolarHBondContact O-N 3.3Å; D34-M37 VanDerWaalsContact OD2-CG 3.3Å; D34-M37 WeakPolarHBondContact OD2-CG 3.41Å; M37-K40 PolarHBondContact O-N 3.37Å; M37-T41 PolarHBondContact O-N 3.01Å; M37-T41 PolarHBondContact O-OG1 3.39Å
38	T	66.8	Low	54.1	Low	81 Å²	81	123.1 Å²	123.1	50%	0.497	62%	0.622	S	S	.	*	H	α-helix	trans	-64	-44.5	174.4	-53.1	0	0	0	0	110.9	D34 W35 T41 I42	D34-T38 PolarHBondContact O-N 3.25Å; W35-T38 PolarHBondContact O-N 3Å; T38-T41 PolarHBondContact O-N 2.77Å; T38-I42 HydrophobicContact CG2-CD1 4.09Å; T38-I42 VanDerWaalsContact O-CG1 3.31Å; T38-I42 WeakPolarHBondContact O-CG1 3.3Å; T38-I42 PolarHBondContact O-N 3.41Å; T38-I42 VanDerWaalsContact O-N 3.12Å
39	L	59.4	Low	55.1	Low	95 Å²	95	118.6 Å²	118.6	50%	0.497	60%	0.603	S	S	.	*	H	α-helix	trans	-63.5	-42	174.4	-74	-178.5	0	0	0	112.7	W35 T41 I42 R43	W35-L39 HydrophobicContact CE3-CD1 3.3Å; W35-L39 HydrophobicContact CE3-CG 4.15Å; W35-L39 HydrophobicContact CZ3-CD1 3.29Å; W35-L39 WeakPolarHBondContact O-CB 3.2Å; W35-L39 WeakPolarHBondContact O-CG 3.41Å; W35-L39 PolarHBondContact O-N 3.22Å; L39-T41 VanDerWaalsContact C-N 3.3Å; L39-T41 PolarHBondContact O-N 3.5Å; L39-I42 PolarHBondContact O-N 3.15Å; L39-R43 WeakPolarHBondContact O-CB 3.16Å; L39-R43 PolarHBondContact O-N 3.08Å
40	K	55.7	Low	56.2	Low	104 Å²	104	113 Å²	113	45%	0.452	58%	0.579	S	S	.	*	H	α-helix	trans	-60.9	-38.2	176.4	-77.4	173.8	-176.2	177.3	0	112.4	R36 M37 N44	R36-K40 WeakPolarHBondContact O-CB 3.36Å; R36-K40 WeakPolarHBondContact O-CG 3.33Å; R36-K40 PolarHBondContact O-N 3.15Å; M37-K40 PolarHBondContact O-N 3.37Å; K40-N44 PolarHBondContact O-N 2.88Å
41	T	60.3	Low	57.1	Low	100 Å²	100	115.9 Å²	115.9	61%	0.613	58%	0.58	S	S	*	*	H	α-helix	trans	-69.2	-41	178.7	-56.3	0	0	0	0	111.6	M37 T38 L39 N44	M37-T41 PolarHBondContact O-N 3.01Å; M37-T41 PolarHBondContact O-OG1 3.39Å; T38-T41 PolarHBondContact O-N 2.77Å; L39-T41 VanDerWaalsContact C-N 3.3Å; L39-T41 PolarHBondContact O-N 3.5Å; T41-N44 PolarHBondContact O-N 3.35Å
42	I	62.1	Low	57.8	Low	93 Å²	93	115.6 Å²	115.6	48%	0.477	57%	0.572	S	S	.	*	H	α-helix	trans	-66.1	-39.8	176.9	-66.9	166.1	0	0	0	110.9	T38 L39 N44 G45 I46	T38-I42 HydrophobicContact CG2-CD1 4.09Å; T38-I42 VanDerWaalsContact O-CG1 3.31Å; T38-I42 WeakPolarHBondContact O-CG1 3.3Å; T38-I42 PolarHBondContact O-N 3.41Å; T38-I42 VanDerWaalsContact O-N 3.12Å; L39-I42 PolarHBondContact O-N 3.15Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.15Å; I42-G45 PolarHBondContact O-N 2.78Å; I42-I46 HydrophobicContact CG2-CD1 4.22Å
43	R	56	Low	58.6	Low	132 Å²	132	113.1 Å²	113.1	50%	0.498	55%	0.554	S	S	.	*	H	α-helix	trans	-59	-37.1	177.9	-177.6	177.6	62.1	162	4	113.5	L39 G45	L39-R43 WeakPolarHBondContact O-CB 3.16Å; L39-R43 PolarHBondContact O-N 3.08Å; R43-G45 PolarHBondContact O-N 3.28Å
44	N	56.8	Low	58.6	Low	122 Å²	122	111.8 Å²	111.8	65%	0.652	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.4	-179	-69.3	-10.1	0	0	0	113.9	K40 T41 I42	K40-N44 PolarHBondContact O-N 2.88Å; T41-N44 PolarHBondContact O-N 3.35Å; I42-N44 VanDerWaalsContact C-N 3.32Å; I42-N44 PolarHBondContact O-N 3.15Å
45	G	64	Low	58.7	Low	63 Å²	63	110.5 Å²	110.5	65%	0.649	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-6.6	-175.5	0	0	0	0	0	115.8	I42 R43	I42-G45 PolarHBondContact O-N 2.78Å; R43-G45 PolarHBondContact O-N 3.28Å
46	I	62	Low	58.7	Low	55 Å²	55	105.1 Å²	105.1	28%	0.282	53%	0.529	S	S	.	.			trans	-137.9	77.4	-158.9	-46.2	-179.8	0	0	0	114	I42 K48 I49	I42-I46 HydrophobicContact CG2-CD1 4.22Å; I46-K48 PolarHBondContact O-N 2.92Å; I46-I49 HydrophobicContact CB-CB 4.47Å; I46-I49 HydrophobicContact CD1-CD1 4.09Å; I46-I49 HydrophobicContact CG2-CB 3.52Å; I46-I49 HydrophobicContact CG2-CD1 3.37Å; I46-I49 HydrophobicContact CG2-CG1 3.22Å; I46-I49 PolarHBondContact O-N 3.06Å
47	H	52.7	Low	59.2	Low	178 Å²	178	101 Å²	101	82%	0.824	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	12.2	-179.4	-82.8	-68.4	0	0	0	117
48	K	50.8	Low	59.5	Low	192 Å²	192	101.1 Å²	101.1	84%	0.835	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-9.6	177.7	-147	176.3	-176.1	-179	0	114.6	I46	I46-K48 PolarHBondContact O-N 2.92Å
49	I	56.3	Low	59.2	Low	78 Å²	78	100.4 Å²	100.4	40%	0.4	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.8	175.1	-57.1	-178.3	0	0	0	110.5	I46 K51 Y52 L53	I46-I49 HydrophobicContact CB-CB 4.47Å; I46-I49 HydrophobicContact CD1-CD1 4.09Å; I46-I49 HydrophobicContact CG2-CB 3.52Å; I46-I49 HydrophobicContact CG2-CD1 3.37Å; I46-I49 HydrophobicContact CG2-CG1 3.22Å; I46-I49 PolarHBondContact O-N 3.06Å; I49-K51 PolarHBondContact O-N 3.01Å; I49-Y52 PolarHBondContact O-N 3.44Å; I49-L53 HydrophobicContact CB-CD1 4.24Å; I49-L53 HydrophobicContact CG2-CB 4.14Å; I49-L53 HydrophobicContact CG2-CD1 3.55Å; I49-L53 HydrophobicContact CG2-CG 4.19Å; I49-L53 WeakPolarHBondContact O-CB 3.39Å; I49-L53 PolarHBondContact O-N 2.93Å
50	D	58	Low	59.2	Low	55 Å²	55	100.5 Å²	100.5	29%	0.294	51%	0.511	S	S	.	.	H	α-helix	trans	-44.5	-40.6	179.2	-76.2	-7	0	0	0	114.5	N54	D50-N54 WeakPolarHBondContact O-CA 3.33Å; D50-N54 WeakPolarHBondContact O-CB 3.46Å; D50-N54 PolarHBondContact O-N 2.98Å; D50-N54 PolarHBondContact O-ND2 3.4Å; D50-N54 PolarHBondContact O-OD1 3.32Å
51	K	59.2	Low	59.4	Low	172 Å²	172	95.6 Å²	95.6	75%	0.748	49%	0.489	S	S	*	.	H	α-helix	trans	-66.2	-42.8	178.9	-173.5	177.7	178.7	179.4	0	113.2	I49 A55	I49-K51 PolarHBondContact O-N 3.01Å; K51-A55 WeakPolarHBondContact O-CB 3.31Å; K51-A55 PolarHBondContact O-N 3.12Å
52	Y	62.8	Low	59.3	Low	181 Å²	181	91.9 Å²	91.9	71%	0.71	47%	0.471	S	S	*	.	H	α-helix	trans	-77.3	-35.1	178.7	-69.6	-79.3	0	0	0	111.4	I49 A56	I49-Y52 PolarHBondContact O-N 3.44Å; Y52-A56 WeakPolarHBondContact O-CB 3.31Å; Y52-A56 PolarHBondContact O-N 2.87Å
53	L	63.1	Low	58.7	Low	71 Å²	71	94.7 Å²	94.7	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-67.9	-42.5	174.9	-126.2	148.4	0	0	0	110.3	I49 A56 L57	I49-L53 HydrophobicContact CB-CD1 4.24Å; I49-L53 HydrophobicContact CG2-CB 4.14Å; I49-L53 HydrophobicContact CG2-CD1 3.55Å; I49-L53 HydrophobicContact CG2-CG 4.19Å; I49-L53 WeakPolarHBondContact O-CB 3.39Å; I49-L53 PolarHBondContact O-N 2.93Å; L53-A56 CarbonylContact O-C 3.09Å; L53-A56 PolarHBondContact O-N 3.46Å; L53-L57 HydrophobicContact CD2-CD1 3.85Å; L53-L57 HydrophobicContact CD2-CG 4.23Å; L53-L57 VanDerWaalsContact O-CB 3.25Å; L53-L57 WeakPolarHBondContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CD1 3.46Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 3.38Å
54	N	58.3	Low	59	Low	80 Å²	80	93.6 Å²	93.6	43%	0.428	49%	0.491	S	S	.	.	H	α-helix	trans	-68.7	-40.9	174.2	-65.4	-21.8	0	0	0	111.1	D50 A56 L57 D58	D50-N54 WeakPolarHBondContact O-CA 3.33Å; D50-N54 WeakPolarHBondContact O-CB 3.46Å; D50-N54 PolarHBondContact O-N 2.98Å; D50-N54 PolarHBondContact O-ND2 3.4Å; D50-N54 PolarHBondContact O-OD1 3.32Å; N54-A56 VanDerWaalsContact C-N 3.3Å; N54-A56 PolarHBondContact O-N 3.01Å; N54-L57 PolarHBondContact O-N 2.92Å; N54-D58 VanDerWaalsContact O-CB 3.25Å; N54-D58 WeakPolarHBondContact O-CB 3.44Å; N54-D58 PolarHBondContact O-N 3.39Å
55	A	61.3	Low	59.3	Low	57 Å²	57	88.4 Å²	88.4	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-64.4	-35.7	173.5	0	0	0	0	0	112.4	K51 L59	K51-A55 WeakPolarHBondContact O-CB 3.31Å; K51-A55 PolarHBondContact O-N 3.12Å; A55-L59 VanDerWaalsContact O-CB 3.27Å; A55-L59 WeakPolarHBondContact O-CB 3.45Å; A55-L59 PolarHBondContact O-N 3.37Å
56	A	64.3	Low	59.7	Low	35 Å²	35	88.9 Å²	88.9	29%	0.289	45%	0.453	S	S	.	.	H	α-helix	trans	-69.5	-45.4	172	0	0	0	0	0	110.9	Y52 L53 N54 D58 L59 F60	Y52-A56 WeakPolarHBondContact O-CB 3.31Å; Y52-A56 PolarHBondContact O-N 2.87Å; L53-A56 CarbonylContact O-C 3.09Å; L53-A56 PolarHBondContact O-N 3.46Å; N54-A56 VanDerWaalsContact C-N 3.3Å; N54-A56 PolarHBondContact O-N 3.01Å; A56-D58 PolarHBondContact O-N 3.33Å; A56-L59 CarbonylContact O-C 3.53Å; A56-L59 WeakPolarHBondContact O-CA 3.49Å; A56-L59 VanDerWaalsContact O-CB 3.28Å; A56-L59 WeakPolarHBondContact O-CB 3.48Å; A56-L59 PolarHBondContact O-N 2.7Å; A56-F60 HydrophobicContact CB-CD2 4.26Å; A56-F60 HydrophobicContact CB-CE2 4.18Å; A56-F60 WeakPolarHBondContact O-CB 3.09Å; A56-F60 WeakPolarHBondContact O-CD2 3.39Å; A56-F60 WeakPolarHBondContact O-CG 3.06Å; A56-F60 PolarHBondContact O-N 2.89Å
57	L	59.8	Low	60.6	Low	67 Å²	67	87.7 Å²	87.7	35%	0.351	45%	0.45	S	S	.	.	H	α-helix	trans	-61.1	-45.2	177.1	-74.9	164.6	0	0	0	110.7	L53 N54 L59 F60 G61 G62	L53-L57 HydrophobicContact CD2-CD1 3.85Å; L53-L57 HydrophobicContact CD2-CG 4.23Å; L53-L57 VanDerWaalsContact O-CB 3.25Å; L53-L57 WeakPolarHBondContact O-CB 3.3Å; L53-L57 WeakPolarHBondContact O-CD1 3.46Å; L53-L57 WeakPolarHBondContact O-CG 3.37Å; L53-L57 PolarHBondContact O-N 3.38Å; N54-L57 PolarHBondContact O-N 2.92Å; L57-L59 PolarHBondContact O-N 3.23Å; L57-F60 CarbonylContact O-C 3.57Å; L57-F60 WeakPolarHBondContact O-CA 3.5Å; L57-F60 PolarHBondContact O-N 3.46Å; L57-G61 PolarHBondContact O-N 2.98Å; L57-G62 PolarHBondContact O-N 3.29Å
58	D	59.2	Low	62.2	Low	113 Å²	113	83.3 Å²	83.3	60%	0.604	43%	0.429	S	S	*	.	H	α-helix	trans	-60.2	-35.1	173.1	-69.8	-19.3	0	0	0	111.6	N54 A56 G61	N54-D58 VanDerWaalsContact O-CB 3.25Å; N54-D58 WeakPolarHBondContact O-CB 3.44Å; N54-D58 PolarHBondContact O-N 3.39Å; A56-D58 PolarHBondContact O-N 3.33Å; D58-G61 PolarHBondContact O-N 3.32Å
59	L	60.4	Low	64	Low	66 Å²	66	75.6 Å²	75.6	35%	0.346	40%	0.395	S	S	.	.	H	α-helix	trans	-70.5	-34.3	172.8	-177	68.9	0	0	0	112.4	A55 A56 L57 G61 V95 F96 K173	A55-L59 VanDerWaalsContact O-CB 3.27Å; A55-L59 WeakPolarHBondContact O-CB 3.45Å; A55-L59 PolarHBondContact O-N 3.37Å; A56-L59 CarbonylContact O-C 3.53Å; A56-L59 WeakPolarHBondContact O-CA 3.49Å; A56-L59 VanDerWaalsContact O-CB 3.28Å; A56-L59 WeakPolarHBondContact O-CB 3.48Å; A56-L59 PolarHBondContact O-N 2.7Å; L57-L59 PolarHBondContact O-N 3.23Å; L59-G61 VanDerWaalsContact C-N 3.27Å; L59-V95 HydrophobicContact CD1-CG1 4.27Å; L59-F96 HydrophobicContact CG-CE1 4.43Å; L59-K173 HydrophobicContact CD1-CB 4.45Å; L59-K173 HydrophobicContact CD1-CD 3.63Å
60	F	60.6	Low	65.5	Low	97 Å²	97	81.1 Å²	81.1	43%	0.425	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	20	172.9	-64.8	-68.4	0	0	0	112.7	A56 L57 F96 H169 L170	A56-F60 HydrophobicContact CB-CD2 4.26Å; A56-F60 HydrophobicContact CB-CE2 4.18Å; A56-F60 WeakPolarHBondContact O-CB 3.09Å; A56-F60 WeakPolarHBondContact O-CD2 3.39Å; A56-F60 WeakPolarHBondContact O-CG 3.06Å; A56-F60 PolarHBondContact O-N 2.89Å; L57-F60 CarbonylContact O-C 3.57Å; L57-F60 WeakPolarHBondContact O-CA 3.5Å; L57-F60 PolarHBondContact O-N 3.46Å; F60-F96 HydrophobicContact CE1-CE1 4.45Å; F60-H169 CarbonylContact C-O 2.82Å; F60-H169 WeakPolarHBondContact CA-O 3.02Å; F60-H169 CarbonylContact O-C 3.39Å; F60-L170 HydrophobicContact CD1-CD2 3.19Å; F60-L170 HydrophobicContact CD1-CG 4.4Å; F60-L170 HydrophobicContact CE1-CD2 3.33Å; F60-L170 HydrophobicContact CG-CD2 4.45Å
61	G	58.8	Low	66.9	Low	1 Å²	1	79 Å²	79	1%	0.01	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	15.4	168.6	0	0	0	0	0	118.1	L57 D58 L59 G65 C67 H169 C172	L57-G61 PolarHBondContact O-N 2.98Å; D58-G61 PolarHBondContact O-N 3.32Å; L59-G61 VanDerWaalsContact C-N 3.27Å; G61-G65 WeakPolarHBondContact O-CA 3.34Å; G61-G65 PolarHBondContact O-N 3.29Å; G61-C67 PolarHBondContact O-SG 3.27Å; G61-C67 VanDerWaalsContact O-SG 3.37Å; G61-H169 PolarHBondContact N-O 2.77Å; G61-C172 WeakPolarHBondContact CA-SG 3.3Å
62	G	57.8	Low	68.1	Low	21 Å²	21	77.1 Å²	77.1	22%	0.216	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	-178.4	-175.7	0	0	0	0	0	112.1	L57 D64	L57-G62 PolarHBondContact O-N 3.29Å; G62-D64 PolarHBondContact O-N 3.09Å
63	D	51.4	Low	68.9	Low	153 Å²	153	71 Å²	71	82%	0.818	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.1	-177.9	-146.5	13.2	0	0	0	112.6
64	D	61.1	Low	69.8	Low	108 Å²	108	70.9 Å²	70.9	58%	0.578	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	-11.8	-174.3	69.8	-0.3	0	0	0	115.6	G62 L66	G62-D64 PolarHBondContact O-N 3.09Å; D64-L66 HydrophobicContact CB-CD1 3.97Å; D64-L66 PolarHBondContact O-N 3.09Å; D64-L66 VanDerWaalsContact O-N 3.09Å; D64-L66 PolarHBondContact OD1-N 2.9Å
65	G	64.5	Low	71.1	Confident	13 Å²	13	73.2 Å²	73.2	13%	0.134	41%	0.408	C	S	.	.	S	Bend	trans	67.6	4.1	177.2	0	0	0	0	0	115.6	G61 K125	G61-G65 WeakPolarHBondContact O-CA 3.34Å; G61-G65 PolarHBondContact O-N 3.29Å; G65-K125 PolarHBondContact O-NZ 3.01Å
66	L	71.5	Confident	72.4	Confident	74 Å²	74	79.2 Å²	79.2	39%	0.387	42%	0.424	S	S	.	.			trans	-85.7	-32.6	-166.8	-97.2	131.8	0	0	0	113.7	D64 H68	D64-L66 HydrophobicContact CB-CD1 3.97Å; D64-L66 PolarHBondContact O-N 3.09Å; D64-L66 VanDerWaalsContact O-N 3.09Å; D64-L66 PolarHBondContact OD1-N 2.9Å; L66-H68 VanDerWaalsContact CD2-CE1 3.48Å; L66-H68 WeakPolarHBondContact CD2-CE1 3.43Å; L66-H68 WeakPolarHBondContact CD2-NE2 3.48Å; L66-H68 PolarHBondContact O-N 3.36Å
67	C	81.2	Confident	73.7	Confident	30 Å²	30	78.9 Å²	78.9	20%	0.203	42%	0.418	C	S	.	.			trans	38.6	60.2	165.7	-58.6	0	0	0	0	116	G61 Y69 K125 C172 Y175	G61-C67 PolarHBondContact O-SG 3.27Å; G61-C67 VanDerWaalsContact O-SG 3.37Å; C67-Y69 PolarHBondContact O-N 3.16Å; C67-K125 HydrophobicContact CB-CD 4.16Å; C67-C172 HydrophobicContact CB-CB 3.62Å; C67-C172 WeakPolarHBondContact CB-SG 3.36Å; C67-C172 WeakPolarHBondContact SG-CB 3.39Å; C67-C172 CovalentContact SG-SG 1.99Å; C67-C172 PolarHBondContact SG-SG 2.9Å; C67-Y175 VanDerWaalsContact O-CD1 3.25Å; C67-Y175 WeakPolarHBondContact O-CD1 3.34Å; C67-Y175 WeakPolarHBondContact O-CE1 3.09Å
68	H	85.6	Confident	75.3	Confident	85 Å²	85	78.2 Å²	78.2	39%	0.394	42%	0.417	S	S	.	.			trans	-70.3	126.9	-179.4	-58.9	-66.3	0	0	0	113	L66	L66-H68 VanDerWaalsContact CD2-CE1 3.48Å; L66-H68 WeakPolarHBondContact CD2-CE1 3.43Å; L66-H68 WeakPolarHBondContact CD2-NE2 3.48Å; L66-H68 PolarHBondContact O-N 3.36Å
69	Y	88.4	Confident	76.9	Confident	31 Å²	31	77.3 Å²	77.3	12%	0.122	42%	0.418	C	S	.	.			trans	-79.3	123.6	171	-175.7	-105.2	0	0	0	111.1	C67 P77 M176 Q179 R180 C183	C67-Y69 PolarHBondContact O-N 3.16Å; Y69-P77 HydrophobicContact CD1-CB 4.07Å; Y69-P77 HydrophobicContact CD1-CG 3.95Å; Y69-P77 HydrophobicContact CE1-CB 3.66Å; Y69-P77 HydrophobicContact CE1-CG 4.08Å; Y69-M176 HydrophobicContact CD2-CE 4.18Å; Y69-M176 HydrophobicContact CD2-SD 4.11Å; Y69-Q179 HydrophobicContact CD1-CB 3.69Å; Y69-Q179 HydrophobicContact CD1-CG 4.36Å; Y69-Q179 HydrophobicContact CD2-CB 3.62Å; Y69-Q179 HydrophobicContact CE1-CB 4.12Å; Y69-Q179 HydrophobicContact CE2-CB 4.08Å; Y69-Q179 HydrophobicContact CG-CB 3.41Å; Y69-Q179 VanDerWaalsContact CG-CB 3.41Å; Y69-Q179 HydrophobicContact CG-CG 4.05Å; Y69-R180 HydrophobicContact CE2-CG 3.74Å; Y69-C183 HydrophobicContact CE1-CB 3.68Å
70	R	87.8	Confident	78.5	Confident	193 Å²	193	77.8 Å²	77.8	73%	0.728	42%	0.415	S	S	*	.			trans	-142.7	144.9	179.4	-62.5	-175.8	-177.2	179.6	2.4	110.3
71	C	88	Confident	79.9	Confident	10 Å²	10	77.5 Å²	77.5	7%	0.068	42%	0.423	C	S	.	.			trans	-73.7	142.1	171.5	-65	0	0	0	0	111	D73 G74 Y75 C185	C71-D73 WeakPolarHBondContact CB-OD1 3.4Å; C71-D73 PolarHBondContact O-N 3.46Å; C71-G74 PolarHBondContact O-N 3.47Å; C71-G74 VanDerWaalsContact O-N 3.09Å; C71-Y75 WeakPolarHBondContact CB-O 3.4Å; C71-C185 WeakPolarHBondContact CA-SG 3.48Å; C71-C185 HydrophobicContact CB-CB 3.69Å; C71-C185 WeakPolarHBondContact CB-SG 3.37Å; C71-C185 WeakPolarHBondContact SG-CA 3.39Å; C71-C185 WeakPolarHBondContact SG-CB 3.08Å; C71-C185 CovalentContact SG-SG 2.04Å; C71-C185 PolarHBondContact SG-SG 2.97Å
72	S	84.4	Confident	81.4	Confident	133 Å²	133	81.1 Å²	81.1	93%	0.93	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22.4	179	52.8	0	0	0	0	113.3	G74	S72-G74 PolarHBondContact O-N 2.95Å
73	D	80.3	Confident	83	Confident	52 Å²	52	83.1 Å²	83.1	28%	0.278	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.3	175.5	61.6	9.6	0	0	0	113.2	C71 Y75 Y187	C71-D73 WeakPolarHBondContact CB-OD1 3.4Å; C71-D73 PolarHBondContact O-N 3.46Å; D73-Y75 HydrophobicContact CB-CD2 4.01Å; D73-Y75 WeakPolarHBondContact O-CD2 3.2Å; D73-Y75 PolarHBondContact O-N 2.96Å; D73-Y75 PolarHBondContact OD1-N 3.49Å; D73-Y187 PolarHBondContact OD2-N 3.27Å
74	G	80.9	Confident	84.9	Confident	69 Å²	69	84.5 Å²	84.5	71%	0.711	46%	0.46	S	S	*	.	S	Bend	trans	76.3	-1.1	179.9	0	0	0	0	0	114.6	C71 S72	C71-G74 PolarHBondContact O-N 3.47Å; C71-G74 VanDerWaalsContact O-N 3.09Å; S72-G74 PolarHBondContact O-N 2.95Å
75	Y	85.3	Confident	86.2	Confident	130 Å²	130	83 Å²	83	51%	0.51	45%	0.449	S	S	.	.	S	Bend	trans	-78.3	158.5	174.2	-71.3	-88.2	0	0	0	111.1	C71 D73 Q186	C71-Y75 WeakPolarHBondContact CB-O 3.4Å; D73-Y75 HydrophobicContact CB-CD2 4.01Å; D73-Y75 WeakPolarHBondContact O-CD2 3.2Å; D73-Y75 PolarHBondContact O-N 2.96Å; D73-Y75 PolarHBondContact OD1-N 3.49Å; Y75-Q186 HydrophobicContact CG-CG 4.32Å
76	K	89	Confident	87.1	Confident	182 Å²	182	85.3 Å²	85.3	79%	0.791	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-69.9	133.8	172.5	-73	-173	175.7	-173.6	0	109.5
77	P	91.8	Very high	87.6	Confident	28 Å²	28	87.3 Å²	87.3	18%	0.182	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.3	172.5	27.5	-33.6	0	0	0	109.9	Y69 C183	Y69-P77 HydrophobicContact CD1-CB 4.07Å; Y69-P77 HydrophobicContact CD1-CG 3.95Å; Y69-P77 HydrophobicContact CE1-CB 3.66Å; Y69-P77 HydrophobicContact CE1-CG 4.08Å; P77-C183 HydrophobicContact CB-CB 3.87Å
78	V	92.8	Very high	87.4	Confident	54 Å²	54	87.8 Å²	87.8	33%	0.327	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.2	177.4	-60.3	0	0	0	0	110.1	R80 C121 C183 V184 M189	V78-R80 PolarHBondContact O-N 2.05Å; V78-C121 PolarHBondContact O-SG 3.3Å; V78-C183 CarbonylContact O-C 3.48Å; V78-C183 VanDerWaalsContact O-CA 3.31Å; V78-C183 WeakPolarHBondContact O-CA 3.49Å; V78-V184 HydrophobicContact CG2-CG2 3.55Å; V78-V184 PolarHBondContact N-O 3.38Å; V78-V184 VanDerWaalsContact N-O 3.07Å; V78-V184 PolarHBondContact O-N 3.47Å; V78-M189 HydrophobicContact CG2-SD 4.42Å
79	P	94.3	Very high	86.8	Confident	94 Å²	94	87.4 Å²	87.4	61%	0.61	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56	131.5	177.8	-25.6	34.6	0	0	0	111.7	P81 C121	P79-P81 WeakPolarHBondContact O-CD 3.48Å; P79-C121 HydrophobicContact CB-CB 4.28Å; P79-C121 HydrophobicContact CG-CB 4.24Å
80	R	93.2	Very high	86.4	Confident	76 Å²	76	86.1 Å²	86.1	29%	0.287	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-62.3	122.7	177.7	178.8	177.6	-62.6	-84.8	-1.6	109.8	V78 G82 Y83 R180 E181 S182 C183 V184	V78-R80 PolarHBondContact O-N 2.05Å; R80-G82 PolarHBondContact O-N 2.82Å; R80-Y83 WeakPolarHBondContact O-CB 3.43Å; R80-Y83 PolarHBondContact O-N 2.95Å; R80-Y83 VanDerWaalsContact O-N 3.17Å; R80-R180 PolarHBondContact NH2-O 3.19Å; R80-R180 VanDerWaalsContact NH2-O 3.13Å; R80-E181 VanDerWaalsContact CD-O 3.25Å; R80-E181 WeakPolarHBondContact CD-O 3.37Å; R80-E181 PolarHBondContact NE-O 2.94Å; R80-S182 WeakPolarHBondContact CB-O 3.4Å; R80-S182 PolarHBondContact N-O 3.17Å; R80-C183 PolarHBondContact NH2-O 2.83Å; R80-C183 VanDerWaalsContact NH2-O 3.08Å; R80-V184 HydrophobicContact CB-CG1 3.84Å; R80-V184 HydrophobicContact CG-CG1 3.77Å; R80-V184 VanDerWaalsContact CZ-CG1 3.42Å
81	P	90.7	Very high	85.8	Confident	91 Å²	91	77.5 Å²	77.5	59%	0.591	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	129.9	178.1	-25.8	34.9	0	0	0	112	P79 Y83 M189	P79-P81 WeakPolarHBondContact O-CD 3.48Å; P81-Y83 PolarHBondContact O-N 2.72Å; P81-M189 HydrophobicContact CG-CE 4.01Å
82	G	89.4	Confident	84.9	Confident	76 Å²	76	77.6 Å²	77.6	78%	0.784	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	2	178	0	0	0	0	0	115.5	R80 K84	R80-G82 PolarHBondContact O-N 2.82Å; G82-K84 PolarHBondContact O-N 3.32Å
83	Y	91.6	Very high	83.9	Confident	63 Å²	63	72.2 Å²	72.2	25%	0.247	41%	0.413	C	S	.	.			trans	-61.5	132.3	174.8	177.9	-103.3	0	0	0	110.9	R80 P81 Q85 P86 E181 S182	R80-Y83 WeakPolarHBondContact O-CB 3.43Å; R80-Y83 PolarHBondContact O-N 2.95Å; R80-Y83 VanDerWaalsContact O-N 3.17Å; P81-Y83 PolarHBondContact O-N 2.72Å; Y83-Q85 HydrophobicContact CE1-CG 4Å; Y83-P86 WeakPolarHBondContact OH-CD 3.42Å; Y83-E181 WeakPolarHBondContact CD2-O 3.25Å; Y83-E181 HydrophobicContact CE2-CB 3.99Å; Y83-S182 VanDerWaalsContact CE1-CB 3.45Å
84	K	91.4	Very high	82.8	Confident	182 Å²	182	75.1 Å²	75.1	79%	0.791	44%	0.435	S	S	*	.			trans	-117.5	124.3	173.9	-64.5	-175.2	-176.7	179.3	0	107.6	G82	G82-K84 PolarHBondContact O-N 3.32Å
85	Q	87.2	Confident	81.7	Confident	76 Å²	76	74.1 Å²	74.1	36%	0.355	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-56.6	131.3	177	-65.8	-176.5	-37.5	0	0	109.7	Y83 R116 D119 T120	Y83-Q85 HydrophobicContact CE1-CG 4Å; Q85-R116 PolarHBondContact NE2-O 3.26Å; Q85-D119 HydrophobicContact CG-CB 4.14Å; Q85-D119 PolarHBondContact NE2-O 3.22Å; Q85-T120 PolarHBondContact NE2-OG1 3.44Å
86	P	84.1	Confident	80.4	Confident	63 Å²	63	70.4 Å²	70.4	41%	0.409	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-60.6	157.1	174.1	26	-33.4	0	0	0	110.6	Y83 D119	Y83-P86 WeakPolarHBondContact OH-CD 3.42Å; P86-D119 VanDerWaalsContact CD-OD2 3.29Å; P86-D119 WeakPolarHBondContact CD-OD2 3.19Å; P86-D119 VanDerWaalsContact CG-OD2 3.3Å; P86-D119 WeakPolarHBondContact CG-OD2 3.39Å
87	P	82.6	Confident	78.8	Confident	115 Å²	115	65.3 Å²	65.3	75%	0.747	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-56.9	134.5	169.4	-21.2	32.8	0	0	0	109.9
88	P	77.6	Confident	77.3	Confident	40 Å²	40	67.3 Å²	67.3	26%	0.26	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57.7	143.1	175.1	-23.3	33.1	0	0	0	111.5	N112 R116	P88-N112 HydrophobicContact CB-CB 3.58Å; P88-N112 WeakPolarHBondContact CB-OD1 3.44Å; P88-N112 HydrophobicContact CG-CB 4.18Å; P88-R116 HydrophobicContact CG-CG 4.33Å
89	N	72.4	Confident	75.7	Confident	77 Å²	77	72.2 Å²	72.2	41%	0.412	43%	0.426	S	S	.	.			trans	-114.2	21.5	-172.5	66.4	-59.1	0	0	0	113.4	G92 D115	N89-G92 PolarHBondContact ND2-O 3.42Å; N89-D115 PolarHBondContact OD1-OD2 3.48Å
90	G	79.2	Confident	74.2	Confident	4 Å²	4	71.1 Å²	71.1	4%	0.041	41%	0.412	C	S	.	.			trans	70.8	-152.1	178.7	0	0	0	0	0	112.2	G92 C111 N112	G90-G92 PolarHBondContact O-N 3.44Å; G90-G92 VanDerWaalsContact O-N 3.1Å; G90-C111 VanDerWaalsContact C-CB 3.5Å; G90-C111 WeakPolarHBondContact O-CB 3.34Å; G90-N112 VanDerWaalsContact CA-OD1 3.24Å; G90-N112 WeakPolarHBondContact CA-OD1 3.46Å; G90-N112 PolarHBondContact N-OD1 2.97Å
91	C	76.6	Confident	72.7	Confident	13 Å²	13	70.3 Å²	70.3	9%	0.088	41%	0.413	C	S	.	.	S	Bend	trans	-85.1	34.5	179.2	-52.8	0	0	0	0	112.6	F100 D101 C111	C91-F100 HydrophobicContact CB-CB 3.87Å; C91-F100 WeakPolarHBondContact O-CB 3.35Å; C91-F100 PolarHBondContact O-N 2.85Å; C91-D101 PolarHBondContact N-OD1 3.44Å; C91-C111 VanDerWaalsContact CA-SG 3.51Å; C91-C111 HydrophobicContact CB-CB 3.89Å; C91-C111 WeakPolarHBondContact CB-SG 3.41Å; C91-C111 WeakPolarHBondContact SG-CB 3.44Å; C91-C111 CovalentContact SG-SG 2.03Å; C91-C111 PolarHBondContact SG-SG 3.43Å
92	G	68.9	Low	71.3	Confident	11 Å²	11	72 Å²	72	11%	0.113	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.1	-179.1	0	0	0	0	0	112.2	N89 G90	N89-G92 PolarHBondContact ND2-O 3.42Å; G90-G92 PolarHBondContact O-N 3.44Å; G90-G92 VanDerWaalsContact O-N 3.1Å
93	S	63.4	Low	70.1	Confident	21 Å²	21	71.3 Å²	71.3	15%	0.147	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.9	169.5	-175.8	0	0	0	0	110.6	V95 F96 G97 F98	S93-V95 PolarHBondContact O-N 3.28Å; S93-V95 VanDerWaalsContact O-N 3.12Å; S93-F96 PolarHBondContact O-N 3.18Å; S93-F96 VanDerWaalsContact OG-CD2 3.28Å; S93-F96 WeakPolarHBondContact OG-CD2 3.47Å; S93-G97 PolarHBondContact O-N 3.13Å; S93-F98 PolarHBondContact N-O 2.85Å
94	P	57.3	Low	69.2	Low	113 Å²	113	71.7 Å²	71.7	73%	0.734	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.8	175.7	-21.5	31.4	0	0	0	112.7
95	V	57	Low	68.7	Low	48 Å²	48	68.1 Å²	68.1	29%	0.291	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-38.3	-176.3	-179.7	0	0	0	0	112	L59 S93 K173	L59-V95 HydrophobicContact CD1-CG1 4.27Å; S93-V95 PolarHBondContact O-N 3.28Å; S93-V95 VanDerWaalsContact O-N 3.12Å; V95-K173 HydrophobicContact CB-CD 4.48Å; V95-K173 HydrophobicContact CG1-CD 3.66Å; V95-K173 HydrophobicContact CG1-CG 4.34Å; V95-K173 HydrophobicContact CG2-CB 4.49Å; V95-K173 HydrophobicContact CG2-CD 3.94Å; V95-K173 HydrophobicContact CG2-CG 3.89Å
96	F	58.1	Low	68.6	Low	51 Å²	51	67.6 Å²	67.6	22%	0.224	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-1.8	-171.1	-57.2	-74.6	0	0	0	113.7	L59 F60 S93 F98 L170	L59-F96 HydrophobicContact CG-CE1 4.43Å; F60-F96 HydrophobicContact CE1-CE1 4.45Å; S93-F96 PolarHBondContact O-N 3.18Å; S93-F96 VanDerWaalsContact OG-CD2 3.28Å; S93-F96 WeakPolarHBondContact OG-CD2 3.47Å; F96-F98 HydrophobicContact CB-CD1 3.55Å; F96-F98 HydrophobicContact CB-CE1 3.08Å; F96-F98 HydrophobicContact CB-CE2 4.18Å; F96-F98 HydrophobicContact CB-CG 4.34Å; F96-F98 HydrophobicContact CB-CZ 3.42Å; F96-F98 VanDerWaalsContact CB-CZ 3.42Å; F96-F98 HydrophobicContact CD2-CE1 4.42Å; F96-F98 HydrophobicContact CD2-CZ 4.03Å; F96-F98 AromaticContact CG-CE1 3.82Å; F96-F98 HydrophobicContact CG-CE1 3.82Å; F96-F98 AromaticContact CG-CZ 3.89Å; F96-F98 HydrophobicContact CG-CZ 3.89Å; F96-F98 WeakPolarHBondContact O-CD1 3.28Å; F96-F98 PolarHBondContact O-N 3.36Å; F96-F98 VanDerWaalsContact O-N 3.09Å; F96-L170 HydrophobicContact CD1-CD2 4.44Å; F96-L170 HydrophobicContact CD2-CB 4.39Å; F96-L170 HydrophobicContact CD2-CD2 4.41Å; F96-L170 HydrophobicContact CE1-CD2 3.75Å; F96-L170 HydrophobicContact CE2-CB 3.66Å; F96-L170 HydrophobicContact CE2-CD2 3.76Å; F96-L170 HydrophobicContact CE2-CG 4.19Å; F96-L170 HydrophobicContact CZ-CB 4.06Å; F96-L170 HydrophobicContact CZ-CD2 3.38Å; F96-L170 HydrophobicContact CZ-CG 4.27Å
97	G	55.8	Low	68.4	Low	76 Å²	76	65.4 Å²	65.4	78%	0.784	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	11.2	171.6	0	0	0	0	0	114.8	S93	S93-G97 PolarHBondContact O-N 3.13Å
98	F	59.2	Low	68.5	Low	69 Å²	69	61.5 Å²	61.5	30%	0.303	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	148.4	172.7	56.8	-113.3	0	0	0	110.9	S93 F96 F100 L170	S93-F98 PolarHBondContact N-O 2.85Å; F96-F98 HydrophobicContact CB-CD1 3.55Å; F96-F98 HydrophobicContact CB-CE1 3.08Å; F96-F98 HydrophobicContact CB-CE2 4.18Å; F96-F98 HydrophobicContact CB-CG 4.34Å; F96-F98 HydrophobicContact CB-CZ 3.42Å; F96-F98 VanDerWaalsContact CB-CZ 3.42Å; F96-F98 HydrophobicContact CD2-CE1 4.42Å; F96-F98 HydrophobicContact CD2-CZ 4.03Å; F96-F98 AromaticContact CG-CE1 3.82Å; F96-F98 HydrophobicContact CG-CE1 3.82Å; F96-F98 AromaticContact CG-CZ 3.89Å; F96-F98 HydrophobicContact CG-CZ 3.89Å; F96-F98 WeakPolarHBondContact O-CD1 3.28Å; F96-F98 PolarHBondContact O-N 3.36Å; F96-F98 VanDerWaalsContact O-N 3.09Å; F98-F100 HydrophobicContact CD2-CD1 4.45Å; F98-F100 AromaticContact CD2-CD2 3.68Å; F98-F100 HydrophobicContact CD2-CD2 3.68Å; F98-F100 HydrophobicContact CD2-CE1 4.21Å; F98-F100 AromaticContact CD2-CE2 3.45Å; F98-F100 HydrophobicContact CD2-CE2 3.45Å; F98-F100 VanDerWaalsContact CD2-CE2 3.45Å; F98-F100 HydrophobicContact CD2-CG 4.2Å; F98-F100 AromaticContact CD2-CZ 3.7Å; F98-F100 HydrophobicContact CD2-CZ 3.7Å; F98-F100 HydrophobicContact CE1-CZ 4.45Å; F98-F100 AromaticContact CE2-CD2 3.43Å; F98-F100 HydrophobicContact CE2-CD2 3.43Å; F98-F100 VanDerWaalsContact CE2-CD2 3.43Å; F98-F100 HydrophobicContact CE2-CE1 4.34Å; F98-F100 AromaticContact CE2-CE2 2.89Å; F98-F100 HydrophobicContact CE2-CE2 2.89Å; F98-F100 HydrophobicContact CE2-CG 4.37Å; F98-F100 AromaticContact CE2-CZ 3.41Å; F98-F100 HydrophobicContact CE2-CZ 3.41Å; F98-F100 VanDerWaalsContact CE2-CZ 3.41Å; F98-F100 HydrophobicContact CG-CZ 4.46Å; F98-F100 HydrophobicContact CZ-CD2 4.47Å; F98-F100 AromaticContact CZ-CE2 3.56Å; F98-F100 HydrophobicContact CZ-CE2 3.56Å; F98-F100 AromaticContact CZ-CZ 3.78Å; F98-F100 HydrophobicContact CZ-CZ 3.78Å; F98-L170 HydrophobicContact CZ-CD1 4.17Å
99	Q	60.6	Low	69.1	Low	158 Å²	158	67.1 Å²	67.1	74%	0.738	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.1	169.7	-74.3	176.1	-19.4	0	0	108.3	D101	Q99-D101 PolarHBondContact O-N 3.19Å
100	F	61.2	Low	70	Confident	70 Å²	70	63.6 Å²	63.6	31%	0.307	38%	0.375	S	S	.	.			trans	-86.3	17.9	172.1	-69.5	-62.2	0	0	0	112.6	C91 F98 I102 M107 L163	C91-F100 HydrophobicContact CB-CB 3.87Å; C91-F100 WeakPolarHBondContact O-CB 3.35Å; C91-F100 PolarHBondContact O-N 2.85Å; F98-F100 HydrophobicContact CD2-CD1 4.45Å; F98-F100 AromaticContact CD2-CD2 3.68Å; F98-F100 HydrophobicContact CD2-CD2 3.68Å; F98-F100 HydrophobicContact CD2-CE1 4.21Å; F98-F100 AromaticContact CD2-CE2 3.45Å; F98-F100 HydrophobicContact CD2-CE2 3.45Å; F98-F100 VanDerWaalsContact CD2-CE2 3.45Å; F98-F100 HydrophobicContact CD2-CG 4.2Å; F98-F100 AromaticContact CD2-CZ 3.7Å; F98-F100 HydrophobicContact CD2-CZ 3.7Å; F98-F100 HydrophobicContact CE1-CZ 4.45Å; F98-F100 AromaticContact CE2-CD2 3.43Å; F98-F100 HydrophobicContact CE2-CD2 3.43Å; F98-F100 VanDerWaalsContact CE2-CD2 3.43Å; F98-F100 HydrophobicContact CE2-CE1 4.34Å; F98-F100 AromaticContact CE2-CE2 2.89Å; F98-F100 HydrophobicContact CE2-CE2 2.89Å; F98-F100 HydrophobicContact CE2-CG 4.37Å; F98-F100 AromaticContact CE2-CZ 3.41Å; F98-F100 HydrophobicContact CE2-CZ 3.41Å; F98-F100 VanDerWaalsContact CE2-CZ 3.41Å; F98-F100 HydrophobicContact CG-CZ 4.46Å; F98-F100 HydrophobicContact CZ-CD2 4.47Å; F98-F100 AromaticContact CZ-CE2 3.56Å; F98-F100 HydrophobicContact CZ-CE2 3.56Å; F98-F100 AromaticContact CZ-CZ 3.78Å; F98-F100 HydrophobicContact CZ-CZ 3.78Å; F100-I102 VanDerWaalsContact C-N 3.26Å; F100-I102 PolarHBondContact O-N 2.95Å; F100-M107 WeakPolarHBondContact O-CE 3.36Å; F100-L163 HydrophobicContact CB-CD1 4.5Å; F100-L163 HydrophobicContact CD2-CD1 4.45Å; F100-L163 HydrophobicContact CG-CD1 4.44Å
101	D	61.4	Low	70.5	Confident	59 Å²	59	63.7 Å²	63.7	32%	0.316	38%	0.376	S	S	.	.			trans	-71.7	84.7	172.9	-81.9	-41.3	0	0	0	109.7	C91 Q99 G103 T108	C91-D101 PolarHBondContact N-OD1 3.44Å; Q99-D101 PolarHBondContact O-N 3.19Å; D101-G103 PolarHBondContact O-N 2.72Å; D101-T108 PolarHBondContact OD1-OG1 3.45Å
102	I	62.7	Low	71.2	Confident	126 Å²	126	65.3 Å²	65.3	65%	0.646	38%	0.383	S	S	*	.			trans	-71.2	17.1	173.8	-53.2	170.4	0	0	0	110.7	F100 I104 M107	F100-I102 VanDerWaalsContact C-N 3.26Å; F100-I102 PolarHBondContact O-N 2.95Å; I102-I104 VanDerWaalsContact C-N 3.25Å; I102-I104 HydrophobicContact CB-CD1 4.4Å; I102-I104 HydrophobicContact CG2-CD1 4.39Å; I102-I104 PolarHBondContact O-N 2.85Å; I102-M107 HydrophobicContact CB-CE 4.21Å; I102-M107 HydrophobicContact CD1-CE 4.06Å; I102-M107 HydrophobicContact CG1-CE 4.12Å
103	G	63.1	Low	72.3	Confident	63 Å²	63	69.8 Å²	69.8	65%	0.649	40%	0.401	S	S	*	.	S	Bend	trans	67	23.2	-177.9	0	0	0	0	0	113.9	D101 P105	D101-G103 PolarHBondContact O-N 2.72Å; G103-P105 WeakPolarHBondContact O-CD 3.44Å
104	I	73	Confident	73.7	Confident	71 Å²	71	69.5 Å²	69.5	36%	0.364	40%	0.397	S	S	.	.			trans	-96.2	104.3	175.4	-61.3	165.8	0	0	0	108.5	I102 S106 M107 T108	I102-I104 VanDerWaalsContact C-N 3.25Å; I102-I104 HydrophobicContact CB-CD1 4.4Å; I102-I104 HydrophobicContact CG2-CD1 4.39Å; I102-I104 PolarHBondContact O-N 2.85Å; I104-S106 PolarHBondContact O-N 3.33Å; I104-S106 VanDerWaalsContact O-N 3.14Å; I104-M107 HydrophobicContact CB-CB 4.03Å; I104-M107 HydrophobicContact CG2-CB 4.03Å; I104-M107 WeakPolarHBondContact O-CB 3.16Å; I104-M107 PolarHBondContact O-N 3.07Å; I104-T108 PolarHBondContact O-N 3.2Å; I104-T108 VanDerWaalsContact O-N 3.15Å; I104-T108 PolarHBondContact O-OG1 3.01Å
105	P	81.6	Confident	75.3	Confident	107 Å²	107	65.5 Å²	65.5	70%	0.695	37%	0.37	S	S	*	.	H	α-helix	trans	-59.6	-33.5	-172.7	-25.5	35.7	0	0	0	113.7	G103 M107 K109	G103-P105 WeakPolarHBondContact O-CD 3.44Å; P105-M107 VanDerWaalsContact C-N 3.31Å; P105-M107 PolarHBondContact O-N 3.48Å; P105-K109 WeakPolarHBondContact O-CB 3.23Å; P105-K109 PolarHBondContact O-N 3.38Å
106	S	83.8	Confident	77.1	Confident	64 Å²	64	68.3 Å²	68.3	45%	0.448	38%	0.375	S	S	.	.	H	α-helix	trans	-65.3	-34.4	177.1	-54.6	0	0	0	0	112.5	I104 K109 C110	I104-S106 PolarHBondContact O-N 3.33Å; I104-S106 VanDerWaalsContact O-N 3.14Å; S106-K109 WeakPolarHBondContact O-CB 3.5Å; S106-K109 PolarHBondContact O-N 3.03Å; S106-C110 PolarHBondContact O-N 2.96Å; S106-C110 PolarHBondContact O-SG 3.21Å; S106-C110 VanDerWaalsContact O-SG 3.38Å
107	M	81.6	Confident	78.8	Confident	17 Å²	17	66.2 Å²	66.2	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-75.4	-45.7	179.2	-164.2	167.2	80.1	0	0	110.6	F100 I102 I104 P105 K109 C110 C111 L136 I139 L163	F100-M107 WeakPolarHBondContact O-CE 3.36Å; I102-M107 HydrophobicContact CB-CE 4.21Å; I102-M107 HydrophobicContact CD1-CE 4.06Å; I102-M107 HydrophobicContact CG1-CE 4.12Å; I104-M107 HydrophobicContact CB-CB 4.03Å; I104-M107 HydrophobicContact CG2-CB 4.03Å; I104-M107 WeakPolarHBondContact O-CB 3.16Å; I104-M107 PolarHBondContact O-N 3.07Å; P105-M107 VanDerWaalsContact C-N 3.31Å; P105-M107 PolarHBondContact O-N 3.48Å; M107-K109 PolarHBondContact O-N 3.25Å; M107-C110 WeakPolarHBondContact O-CA 3.41Å; M107-C110 WeakPolarHBondContact O-CB 3.29Å; M107-C110 PolarHBondContact O-N 3.08Å; M107-C111 PolarHBondContact O-N 3.5Å; M107-C111 PolarHBondContact O-SG 3Å; M107-C111 VanDerWaalsContact O-SG 3.37Å; M107-L136 HydrophobicContact CG-CD2 3.92Å; M107-I139 HydrophobicContact CB-CD1 4.24Å; M107-L163 HydrophobicContact CE-CD2 4.39Å; M107-L163 HydrophobicContact CG-CD2 3.94Å; M107-L163 HydrophobicContact SD-CD2 3.44Å; M107-L163 WeakPolarHBondContact SD-CD2 3.44Å
108	T	85	Confident	80.6	Confident	33 Å²	33	62.9 Å²	62.9	20%	0.202	33%	0.331	C	S	.	.	H	α-helix	trans	-55.9	-36.5	171.8	-52.9	0	0	0	0	111.3	D101 I104 C111 N112	D101-T108 PolarHBondContact OD1-OG1 3.45Å; I104-T108 PolarHBondContact O-N 3.2Å; I104-T108 VanDerWaalsContact O-N 3.15Å; I104-T108 PolarHBondContact O-OG1 3.01Å; T108-C111 PolarHBondContact O-N 3.5Å; T108-N112 WeakPolarHBondContact O-CB 3.08Å; T108-N112 PolarHBondContact O-N 3.08Å; T108-N112 PolarHBondContact O-ND2 3.06Å
109	K	90.2	Very high	82.2	Confident	158 Å²	158	60.3 Å²	60.3	69%	0.687	32%	0.32	S	S	*	.	H	α-helix	trans	-63.4	-42.3	173.4	-172.4	-176.8	177.9	-174.6	0	112.7	P105 S106 M107 Q113	P105-K109 WeakPolarHBondContact O-CB 3.23Å; P105-K109 PolarHBondContact O-N 3.38Å; S106-K109 WeakPolarHBondContact O-CB 3.5Å; S106-K109 PolarHBondContact O-N 3.03Å; M107-K109 PolarHBondContact O-N 3.25Å; K109-Q113 PolarHBondContact O-N 3.22Å; K109-Q113 VanDerWaalsContact O-N 3.14Å
110	C	90.8	Very high	83.8	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.02	30%	0.302	C	S	.	.	H	α-helix	trans	-64.8	-44.4	176.2	-64.6	0	0	0	0	111.6	S106 M107 N112 Q113 H114 F132 C135 L136	S106-C110 PolarHBondContact O-N 2.96Å; S106-C110 PolarHBondContact O-SG 3.21Å; S106-C110 VanDerWaalsContact O-SG 3.38Å; M107-C110 WeakPolarHBondContact O-CA 3.41Å; M107-C110 WeakPolarHBondContact O-CB 3.29Å; M107-C110 PolarHBondContact O-N 3.08Å; C110-N112 PolarHBondContact O-N 3.25Å; C110-Q113 WeakPolarHBondContact O-CB 3.11Å; C110-Q113 PolarHBondContact O-N 2.87Å; C110-Q113 VanDerWaalsContact O-N 3.16Å; C110-H114 PolarHBondContact O-N 3.09Å; C110-F132 HydrophobicContact CB-CD2 3.97Å; C110-F132 HydrophobicContact CB-CE2 3.85Å; C110-C135 WeakPolarHBondContact CA-SG 3.38Å; C110-C135 HydrophobicContact CB-CB 3.76Å; C110-C135 WeakPolarHBondContact CB-SG 3.05Å; C110-C135 WeakPolarHBondContact SG-CB 2.99Å; C110-C135 CovalentContact SG-SG 2.04Å; C110-C135 PolarHBondContact SG-SG 3.37Å; C110-L136 HydrophobicContact CB-CD2 4.09Å
111	C	88.9	Confident	85.5	Confident	7 Å²	7	53.3 Å²	53.3	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-45.8	176.9	-61.1	0	0	0	0	111.4	G90 C91 M107 T108 Q113 H114 D115	G90-C111 VanDerWaalsContact C-CB 3.5Å; G90-C111 WeakPolarHBondContact O-CB 3.34Å; C91-C111 VanDerWaalsContact CA-SG 3.51Å; C91-C111 HydrophobicContact CB-CB 3.89Å; C91-C111 WeakPolarHBondContact CB-SG 3.41Å; C91-C111 WeakPolarHBondContact SG-CB 3.44Å; C91-C111 CovalentContact SG-SG 2.03Å; C91-C111 PolarHBondContact SG-SG 3.43Å; M107-C111 PolarHBondContact O-N 3.5Å; M107-C111 PolarHBondContact O-SG 3Å; M107-C111 VanDerWaalsContact O-SG 3.37Å; T108-C111 PolarHBondContact O-N 3.5Å; C111-Q113 PolarHBondContact O-N 2.88Å; C111-H114 WeakPolarHBondContact O-CA 3.39Å; C111-H114 WeakPolarHBondContact O-CB 3.36Å; C111-H114 PolarHBondContact O-N 3.29Å; C111-D115 PolarHBondContact O-N 3.45Å
112	N	90.8	Very high	87	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-30.5	176.3	-70.7	-18.1	0	0	0	113.6	P88 G90 T108 C110 R116	P88-N112 HydrophobicContact CB-CB 3.58Å; P88-N112 WeakPolarHBondContact CB-OD1 3.44Å; P88-N112 HydrophobicContact CG-CB 4.18Å; G90-N112 VanDerWaalsContact CA-OD1 3.24Å; G90-N112 WeakPolarHBondContact CA-OD1 3.46Å; G90-N112 PolarHBondContact N-OD1 2.97Å; T108-N112 WeakPolarHBondContact O-CB 3.08Å; T108-N112 PolarHBondContact O-N 3.08Å; T108-N112 PolarHBondContact O-ND2 3.06Å; C110-N112 PolarHBondContact O-N 3.25Å; N112-R116 WeakPolarHBondContact O-CG 3.38Å; N112-R116 PolarHBondContact O-N 2.99Å
113	Q	93.5	Very high	88.5	Confident	105 Å²	105	51 Å²	51	49%	0.491	29%	0.288	S	S	.	.	H	α-helix	trans	-73.9	-37.4	174.9	-177.6	59.7	37.6	0	0	111.2	K109 C110 C111 C117	K109-Q113 PolarHBondContact O-N 3.22Å; K109-Q113 VanDerWaalsContact O-N 3.14Å; C110-Q113 WeakPolarHBondContact O-CB 3.11Å; C110-Q113 PolarHBondContact O-N 2.87Å; C110-Q113 VanDerWaalsContact O-N 3.16Å; C111-Q113 PolarHBondContact O-N 2.88Å; Q113-C117 PolarHBondContact O-N 2.83Å; Q113-C117 VanDerWaalsContact O-N 3.13Å
114	H	92.1	Very high	89.9	Confident	15 Å²	15	52.9 Å²	52.9	7%	0.069	28%	0.28	C	S	.	.	H	α-helix	trans	-64.8	-47.4	175.8	-174.6	-115.3	0	0	0	111.6	C110 C111 R116 C117 Y118 C128 D129 F132	C110-H114 PolarHBondContact O-N 3.09Å; C111-H114 WeakPolarHBondContact O-CA 3.39Å; C111-H114 WeakPolarHBondContact O-CB 3.36Å; C111-H114 PolarHBondContact O-N 3.29Å; H114-R116 VanDerWaalsContact C-N 3.32Å; H114-R116 PolarHBondContact O-N 3.07Å; H114-C117 WeakPolarHBondContact O-CA 3.48Å; H114-C117 WeakPolarHBondContact O-CB 3.39Å; H114-C117 PolarHBondContact O-N 2.94Å; H114-Y118 AromaticContact CD2-CE1 3.92Å; H114-Y118 AromaticContact CE1-CE1 3.56Å; H114-Y118 AromaticContact CE1-CE2 3.52Å; H114-Y118 AromaticContact CE1-CZ 3.19Å; H114-Y118 PolarHBondContact CE1-OH 2.99Å; H114-Y118 AromaticContact NE2-CD1 3.94Å; H114-Y118 AromaticContact NE2-CE1 3.19Å; H114-Y118 WeakPolarHBondContact NE2-CE1 3.29Å; H114-Y118 AromaticContact NE2-CZ 3.25Å; H114-Y118 PolarHBondContact NE2-OH 2.77Å; H114-Y118 PolarHBondContact O-N 2.97Å; H114-C128 PolarHBondContact CD2-O 2.61Å; H114-D129 IonicContact CD2-OD1 2.7Å; H114-D129 IonicContact CE1-OD1 3.81Å; H114-D129 IonicContact NE2-OD1 3.67Å; H114-D129 PolarHBondContact NE2-OD1 3.5Å; H114-F132 HydrophobicContact CB-CB 4.21Å; H114-F132 HydrophobicContact CB-CD2 3.84Å; H114-F132 HydrophobicContact CB-CE2 4.48Å; H114-F132 HydrophobicContact CB-CG 4.13Å; H114-F132 AromaticContact CD2-CG 3.96Å
115	D	91.4	Very high	90.7	Very high	30 Å²	30	49.6 Å²	49.6	16%	0.16	26%	0.263	C	S	.	.	H	α-helix	trans	-53.9	-47.9	175.5	-63.7	-23.2	0	0	0	111.4	N89 C111 C117 Y118 D119	N89-D115 PolarHBondContact OD1-OD2 3.48Å; C111-D115 PolarHBondContact O-N 3.45Å; D115-C117 VanDerWaalsContact C-N 3.27Å; D115-C117 PolarHBondContact O-N 3.35Å; D115-Y118 PolarHBondContact O-N 3.25Å; D115-D119 WeakPolarHBondContact O-CB 3.49Å; D115-D119 PolarHBondContact O-N 2.76Å
116	R	93.6	Very high	91	Very high	106 Å²	106	49.1 Å²	49.1	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-34.4	177.5	-72.5	179.3	-173.2	-76.4	-0.3	112.8	Q85 P88 N112 H114 T120	Q85-R116 PolarHBondContact NE2-O 3.26Å; P88-R116 HydrophobicContact CG-CG 4.33Å; N112-R116 WeakPolarHBondContact O-CG 3.38Å; N112-R116 PolarHBondContact O-N 2.99Å; H114-R116 VanDerWaalsContact C-N 3.32Å; H114-R116 PolarHBondContact O-N 3.07Å; R116-T120 PolarHBondContact O-N 2.99Å; R116-T120 PolarHBondContact O-OG1 2.81Å
117	C	94.8	Very high	91.5	Very high	7 Å²	7	49.2 Å²	49.2	5%	0.047	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-45.3	177	-166.5	0	0	0	0	110.5	Q113 H114 D115 D119 T120 C128	Q113-C117 PolarHBondContact O-N 2.83Å; Q113-C117 VanDerWaalsContact O-N 3.13Å; H114-C117 WeakPolarHBondContact O-CA 3.48Å; H114-C117 WeakPolarHBondContact O-CB 3.39Å; H114-C117 PolarHBondContact O-N 2.94Å; D115-C117 VanDerWaalsContact C-N 3.27Å; D115-C117 PolarHBondContact O-N 3.35Å; C117-D119 VanDerWaalsContact C-N 3.32Å; C117-D119 PolarHBondContact O-N 3.32Å; C117-T120 WeakPolarHBondContact O-CB 3.02Å; C117-T120 PolarHBondContact O-N 2.99Å; C117-T120 VanDerWaalsContact O-N 3.15Å; C117-C128 HydrophobicContact CB-CB 3.66Å; C117-C128 WeakPolarHBondContact CB-SG 3.44Å; C117-C128 WeakPolarHBondContact SG-CA 3.18Å; C117-C128 WeakPolarHBondContact SG-CB 3.49Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 3.31Å
118	Y	92.9	Very high	92	Very high	6 Å²	6	48.4 Å²	48.4	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-36.9	175	-83	18.4	0	0	0	112.5	H114 D115 T120 K125 C128 D129 Y175 S178 Q179	H114-Y118 AromaticContact CD2-CE1 3.92Å; H114-Y118 AromaticContact CE1-CE1 3.56Å; H114-Y118 AromaticContact CE1-CE2 3.52Å; H114-Y118 AromaticContact CE1-CZ 3.19Å; H114-Y118 PolarHBondContact CE1-OH 2.99Å; H114-Y118 AromaticContact NE2-CD1 3.94Å; H114-Y118 AromaticContact NE2-CE1 3.19Å; H114-Y118 WeakPolarHBondContact NE2-CE1 3.29Å; H114-Y118 AromaticContact NE2-CZ 3.25Å; H114-Y118 PolarHBondContact NE2-OH 2.77Å; H114-Y118 PolarHBondContact O-N 2.97Å; D115-Y118 PolarHBondContact O-N 3.25Å; Y118-T120 PolarHBondContact O-N 3.44Å; Y118-K125 HydrophobicContact CE1-CG 4.13Å; Y118-K125 WeakPolarHBondContact OH-CE 3.38Å; Y118-C128 HydrophobicContact CD1-CB 3.67Å; Y118-C128 HydrophobicContact CE1-CB 3.64Å; Y118-D129 WeakPolarHBondContact CE1-OD1 3.25Å; Y118-D129 PolarHBondContact OH-OD1 3.37Å; Y118-Y175 AromaticContact CD1-CD2 3.83Å; Y118-Y175 HydrophobicContact CD1-CD2 3.83Å; Y118-Y175 HydrophobicContact CD2-CD2 4.35Å; Y118-Y175 AromaticContact CE1-CD2 3.98Å; Y118-Y175 HydrophobicContact CE1-CD2 3.98Å; Y118-Y175 HydrophobicContact CE2-CD2 4.48Å; Y118-Y175 HydrophobicContact CG-CD2 4.02Å; Y118-S178 WeakPolarHBondContact O-CB 3.25Å; Y118-Q179 PolarHBondContact O-NE2 2.84Å
119	D	93.4	Very high	92.3	Very high	16 Å²	16	46.9 Å²	46.9	9%	0.086	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	3.8	177	-75.5	-17.1	0	0	0	114	Q85 P86 D115 C117 S178 S182	Q85-D119 HydrophobicContact CG-CB 4.14Å; Q85-D119 PolarHBondContact NE2-O 3.22Å; P86-D119 VanDerWaalsContact CD-OD2 3.29Å; P86-D119 WeakPolarHBondContact CD-OD2 3.19Å; P86-D119 VanDerWaalsContact CG-OD2 3.3Å; P86-D119 WeakPolarHBondContact CG-OD2 3.39Å; D115-D119 WeakPolarHBondContact O-CB 3.49Å; D115-D119 PolarHBondContact O-N 2.76Å; C117-D119 VanDerWaalsContact C-N 3.32Å; C117-D119 PolarHBondContact O-N 3.32Å; D119-S178 WeakPolarHBondContact OD1-CB 3.45Å; D119-S178 PolarHBondContact OD1-OG 2.97Å; D119-S182 VanDerWaalsContact O-CB 3.25Å; D119-S182 WeakPolarHBondContact O-CB 3.42Å
120	T	95	Very high	92.4	Very high	58 Å²	58	42.1 Å²	42.1	36%	0.356	22%	0.216	S	C	.	.	S	Bend	trans	-95.6	112.6	174.2	-59.1	0	0	0	0	109.1	Q85 R116 C117 Y118 G122 R123 Q179	Q85-T120 PolarHBondContact NE2-OG1 3.44Å; R116-T120 PolarHBondContact O-N 2.99Å; R116-T120 PolarHBondContact O-OG1 2.81Å; C117-T120 WeakPolarHBondContact O-CB 3.02Å; C117-T120 PolarHBondContact O-N 2.99Å; C117-T120 VanDerWaalsContact O-N 3.15Å; Y118-T120 PolarHBondContact O-N 3.44Å; T120-G122 PolarHBondContact O-N 3.31Å; T120-R123 HydrophobicContact CG2-CG 3.55Å; T120-R123 WeakPolarHBondContact O-CB 2.96Å; T120-R123 WeakPolarHBondContact O-CG 3.25Å; T120-R123 PolarHBondContact O-N 3.24Å; T120-Q179 PolarHBondContact O-NE2 2.92Å
121	C	95.3	Very high	92.5	Very high	23 Å²	23	45.9 Å²	45.9	16%	0.155	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	129.9	-176.5	177.7	0	0	0	0	112.7	V78 P79 R123 S182 C183	V78-C121 PolarHBondContact O-SG 3.3Å; P79-C121 HydrophobicContact CB-CB 4.28Å; P79-C121 HydrophobicContact CG-CB 4.24Å; C121-R123 VanDerWaalsContact C-N 3.3Å; C121-R123 PolarHBondContact O-N 3.4Å; C121-S182 WeakPolarHBondContact CB-O 3.44Å; C121-C183 WeakPolarHBondContact CA-SG 3.06Å; C121-C183 HydrophobicContact CB-CB 4.11Å; C121-C183 WeakPolarHBondContact CB-SG 3.45Å; C121-C183 WeakPolarHBondContact SG-CA 3.33Å; C121-C183 WeakPolarHBondContact SG-CB 3.25Å; C121-C183 CovalentContact SG-SG 2.03Å; C121-C183 PolarHBondContact SG-SG 3.09Å
122	G	93.2	Very high	92.6	Very high	46 Å²	46	45.9 Å²	45.9	47%	0.474	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	3.7	175.2	0	0	0	0	0	114.8	T120	T120-G122 PolarHBondContact O-N 3.31Å
123	R	94.8	Very high	92.5	Very high	89 Å²	89	46.6 Å²	46.6	34%	0.336	23%	0.234	S	C	.	.			trans	-70.5	137.8	169.7	-69.7	-72.9	-78	-172.3	-5.4	110	T120 C121 Y175	T120-R123 HydrophobicContact CG2-CG 3.55Å; T120-R123 WeakPolarHBondContact O-CB 2.96Å; T120-R123 WeakPolarHBondContact O-CG 3.25Å; T120-R123 PolarHBondContact O-N 3.24Å; C121-R123 VanDerWaalsContact C-N 3.3Å; C121-R123 PolarHBondContact O-N 3.4Å; R123-Y175 WeakPolarHBondContact O-CE2 3.45Å; R123-Y175 PolarHBondContact O-OH 3.34Å
124	E	92	Very high	92.5	Very high	104 Å²	104	46 Å²	46	49%	0.486	23%	0.234	S	C	.	.			trans	-75	137	175.8	-59.9	-164.9	164.8	0	0	109.9	H126 D127 C128	E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 3.49Å; E124-D127 PolarHBondContact O-N 2.97Å; E124-C128 PolarHBondContact O-N 3.14Å
125	K	89.8	Confident	92.5	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-46.3	178.6	179.7	175.8	176.9	-70.4	0	111.1	G65 C67 Y118 D127 C128 D129 M168 Y175	G65-K125 PolarHBondContact O-NZ 3.01Å; C67-K125 HydrophobicContact CB-CD 4.16Å; Y118-K125 HydrophobicContact CE1-CG 4.13Å; Y118-K125 WeakPolarHBondContact OH-CE 3.38Å; K125-D127 PolarHBondContact O-N 3.5Å; K125-C128 WeakPolarHBondContact O-CB 2.87Å; K125-C128 PolarHBondContact O-N 2.89Å; K125-C128 VanDerWaalsContact O-N 3.09Å; K125-D129 WeakPolarHBondContact CE-OD2 3.45Å; K125-D129 VanDerWaalsContact CG-OD2 3.25Å; K125-D129 WeakPolarHBondContact CG-OD2 2.89Å; K125-D129 IonicContact NZ-OD2 2.89Å; K125-D129 PolarHBondContact NZ-OD2 2.03Å; K125-D129 WeakPolarHBondContact O-CB 3.35Å; K125-D129 PolarHBondContact O-N 2.04Å; K125-M168 PolarHBondContact NZ-O 2.88Å; K125-Y175 HydrophobicContact CB-CD1 4.06Å; K125-Y175 HydrophobicContact CB-CD2 3.75Å; K125-Y175 HydrophobicContact CB-CE1 4.04Å; K125-Y175 HydrophobicContact CB-CE2 3.71Å; K125-Y175 HydrophobicContact CB-CG 3.92Å; K125-Y175 HydrophobicContact CD-CD1 4.23Å; K125-Y175 HydrophobicContact CD-CG 4.05Å; K125-Y175 HydrophobicContact CG-CD1 4.5Å; K125-Y175 HydrophobicContact CG-CD2 4.12Å; K125-Y175 HydrophobicContact CG-CG 4.07Å
126	H	89	Confident	92.4	Very high	96 Å²	96	45.8 Å²	45.8	44%	0.444	24%	0.236	S	C	.	.	H	α-helix	trans	-55.9	-46.5	179.3	-179.3	34.4	0	0	0	112.8	E124 C128 D129 D130	E124-H126 VanDerWaalsContact C-N 3.26Å; E124-H126 PolarHBondContact O-N 3.49Å; H126-C128 VanDerWaalsContact C-N 3.27Å; H126-C128 PolarHBondContact O-N 2.78Å; H126-D129 PolarHBondContact O-N 3.38Å; H126-D130 IonicContact CE1-OD1 2.97Å; H126-D130 PolarHBondContact CE1-OD1 3.15Å; H126-D130 IonicContact CE1-OD2 3.48Å; H126-D130 PolarHBondContact CE1-OD2 3.18Å; H126-D130 IonicContact ND1-OD1 2.78Å; H126-D130 PolarHBondContact ND1-OD1 3.42Å; H126-D130 IonicContact ND1-OD2 3.58Å; H126-D130 PolarHBondContact ND1-OD2 3.33Å; H126-D130 IonicContact NE2-OD2 3.06Å; H126-D130 WeakPolarHBondContact O-CB 3.48Å; H126-D130 PolarHBondContact O-N 3.23Å
127	D	92.9	Very high	92.1	Very high	66 Å²	66	43.9 Å²	43.9	35%	0.353	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-36.7	177.3	-71.8	-17	0	0	0	112.6	E124 K125 Q131	E124-D127 PolarHBondContact O-N 2.97Å; K125-D127 PolarHBondContact O-N 3.5Å; D127-Q131 VanDerWaalsContact O-CD 3.29Å; D127-Q131 VanDerWaalsContact O-CG 3.29Å; D127-Q131 WeakPolarHBondContact O-CG 3.11Å; D127-Q131 PolarHBondContact O-N 3.06Å; D127-Q131 PolarHBondContact O-NE2 2.83Å
128	C	93.6	Very high	91.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.245	C	C	.	.	H	α-helix	trans	-71.7	-41.3	178.1	-66.8	0	0	0	0	111.5	H114 C117 Y118 E124 K125 H126 Q131 F132	H114-C128 PolarHBondContact CD2-O 2.61Å; C117-C128 HydrophobicContact CB-CB 3.66Å; C117-C128 WeakPolarHBondContact CB-SG 3.44Å; C117-C128 WeakPolarHBondContact SG-CA 3.18Å; C117-C128 WeakPolarHBondContact SG-CB 3.49Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 3.31Å; Y118-C128 HydrophobicContact CD1-CB 3.67Å; Y118-C128 HydrophobicContact CE1-CB 3.64Å; E124-C128 PolarHBondContact O-N 3.14Å; K125-C128 WeakPolarHBondContact O-CB 2.87Å; K125-C128 PolarHBondContact O-N 2.89Å; K125-C128 VanDerWaalsContact O-N 3.09Å; H126-C128 VanDerWaalsContact C-N 3.27Å; H126-C128 PolarHBondContact O-N 2.78Å; C128-Q131 PolarHBondContact O-N 2.7Å; C128-F132 WeakPolarHBondContact O-CB 3.24Å; C128-F132 PolarHBondContact O-N 3.37Å
129	D	90.6	Very high	91.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-43.9	-180	-74.5	-5	0	0	0	112	H114 Y118 K125 H126 Q131 F132 Q133 F164 M168	H114-D129 IonicContact CD2-OD1 2.7Å; H114-D129 IonicContact CE1-OD1 3.81Å; H114-D129 IonicContact NE2-OD1 3.67Å; H114-D129 PolarHBondContact NE2-OD1 3.5Å; Y118-D129 WeakPolarHBondContact CE1-OD1 3.25Å; Y118-D129 PolarHBondContact OH-OD1 3.37Å; K125-D129 WeakPolarHBondContact CE-OD2 3.45Å; K125-D129 VanDerWaalsContact CG-OD2 3.25Å; K125-D129 WeakPolarHBondContact CG-OD2 2.89Å; K125-D129 IonicContact NZ-OD2 2.89Å; K125-D129 PolarHBondContact NZ-OD2 2.03Å; K125-D129 WeakPolarHBondContact O-CB 3.35Å; K125-D129 PolarHBondContact O-N 2.04Å; H126-D129 PolarHBondContact O-N 3.38Å; D129-Q131 VanDerWaalsContact C-N 3.35Å; D129-Q131 PolarHBondContact O-N 2.8Å; D129-F132 WeakPolarHBondContact O-CA 3.14Å; D129-F132 WeakPolarHBondContact O-CB 3.25Å; D129-F132 PolarHBondContact O-N 1.99Å; D129-Q133 PolarHBondContact O-N 3.32Å; D129-F164 HydrophobicContact CB-CE2 4.47Å; D129-F164 WeakPolarHBondContact O-CE2 3.48Å; D129-M168 HydrophobicContact CB-CE 3.78Å; D129-M168 HydrophobicContact CB-SD 3.28Å; D129-M168 WeakPolarHBondContact CB-SD 3.1Å; D129-M168 WeakPolarHBondContact OD2-CE 2.99Å
130	D	91.1	Very high	91.1	Very high	59 Å²	59	46.6 Å²	46.6	32%	0.316	25%	0.248	S	C	.	.	H	α-helix	trans	-61.6	-43.8	176.1	-73.3	8.1	0	0	0	111.2	H126 F132 Q133 D134	H126-D130 IonicContact CE1-OD1 2.97Å; H126-D130 PolarHBondContact CE1-OD1 3.15Å; H126-D130 IonicContact CE1-OD2 3.48Å; H126-D130 PolarHBondContact CE1-OD2 3.18Å; H126-D130 IonicContact ND1-OD1 2.78Å; H126-D130 PolarHBondContact ND1-OD1 3.42Å; H126-D130 IonicContact ND1-OD2 3.58Å; H126-D130 PolarHBondContact ND1-OD2 3.33Å; H126-D130 IonicContact NE2-OD2 3.06Å; H126-D130 WeakPolarHBondContact O-CB 3.48Å; H126-D130 PolarHBondContact O-N 3.23Å; D130-F132 PolarHBondContact O-N 2.75Å; D130-Q133 WeakPolarHBondContact O-CB 3.36Å; D130-Q133 PolarHBondContact O-N 2.94Å; D130-D134 PolarHBondContact O-N 2.96Å
131	Q	94.2	Very high	90.6	Very high	82 Å²	82	48.8 Å²	48.8	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-62.2	-34	174.6	-76.8	165.8	56.3	0	0	112.2	D127 C128 D129 C135	D127-Q131 VanDerWaalsContact O-CD 3.29Å; D127-Q131 VanDerWaalsContact O-CG 3.29Å; D127-Q131 WeakPolarHBondContact O-CG 3.11Å; D127-Q131 PolarHBondContact O-N 3.06Å; D127-Q131 PolarHBondContact O-NE2 2.83Å; C128-Q131 PolarHBondContact O-N 2.7Å; D129-Q131 VanDerWaalsContact C-N 3.35Å; D129-Q131 PolarHBondContact O-N 2.8Å; Q131-C135 WeakPolarHBondContact O-CB 3.4Å; Q131-C135 PolarHBondContact O-N 3.29Å; Q131-C135 VanDerWaalsContact O-N 3.08Å
132	F	91.6	Very high	90.1	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-70.3	-43.6	176.2	176.5	-117.4	0	0	0	111.4	C110 H114 C128 D129 D130 D134 C135 L136 F164 V167	C110-F132 HydrophobicContact CB-CD2 3.97Å; C110-F132 HydrophobicContact CB-CE2 3.85Å; H114-F132 HydrophobicContact CB-CB 4.21Å; H114-F132 HydrophobicContact CB-CD2 3.84Å; H114-F132 HydrophobicContact CB-CE2 4.48Å; H114-F132 HydrophobicContact CB-CG 4.13Å; H114-F132 AromaticContact CD2-CG 3.96Å; C128-F132 WeakPolarHBondContact O-CB 3.24Å; C128-F132 PolarHBondContact O-N 3.37Å; D129-F132 WeakPolarHBondContact O-CA 3.14Å; D129-F132 WeakPolarHBondContact O-CB 3.25Å; D129-F132 PolarHBondContact O-N 1.99Å; D130-F132 PolarHBondContact O-N 2.75Å; F132-D134 PolarHBondContact O-N 3.49Å; F132-C135 WeakPolarHBondContact O-CB 3.18Å; F132-C135 PolarHBondContact O-N 3.33Å; F132-L136 HydrophobicContact CD1-CD1 4.14Å; F132-L136 HydrophobicContact CD2-CG 4.38Å; F132-L136 HydrophobicContact CE1-CD1 3.59Å; F132-L136 HydrophobicContact CE1-CG 4.37Å; F132-L136 HydrophobicContact CE2-CD1 4.09Å; F132-L136 HydrophobicContact CE2-CD2 4.09Å; F132-L136 HydrophobicContact CE2-CG 4Å; F132-L136 HydrophobicContact CZ-CD1 3.57Å; F132-L136 HydrophobicContact CZ-CD2 4.17Å; F132-L136 HydrophobicContact CZ-CG 4.01Å; F132-L136 WeakPolarHBondContact O-CG 3.28Å; F132-L136 PolarHBondContact O-N 2.97Å; F132-F164 HydrophobicContact CD1-CD2 4.16Å; F132-V167 HydrophobicContact CD1-CG1 4.18Å; F132-V167 HydrophobicContact CE1-CB 3.93Å; F132-V167 HydrophobicContact CE1-CG1 3.82Å; F132-V167 HydrophobicContact CE1-CG2 3.94Å; F132-V167 HydrophobicContact CZ-CG2 4.31Å
133	Q	88.8	Confident	89.6	Confident	61 Å²	61	52 Å²	52	29%	0.285	26%	0.257	S	S	.	.	H	α-helix	trans	-56.2	-52	173.5	-169.5	173.6	0.4	0	0	111.2	D129 D130 C135 L136 E137 F164	D129-Q133 PolarHBondContact O-N 3.32Å; D130-Q133 WeakPolarHBondContact O-CB 3.36Å; D130-Q133 PolarHBondContact O-N 2.94Å; Q133-C135 PolarHBondContact O-N 2.92Å; Q133-L136 PolarHBondContact O-N 2.73Å; Q133-L136 VanDerWaalsContact O-N 3.08Å; Q133-E137 HydrophobicContact CG-CG 4.47Å; Q133-E137 WeakPolarHBondContact O-CG 3.45Å; Q133-E137 PolarHBondContact O-N 3.49Å; Q133-F164 HydrophobicContact CB-CD2 3.72Å; Q133-F164 HydrophobicContact CB-CE2 3.55Å; Q133-F164 HydrophobicContact CB-CG 4.36Å; Q133-F164 HydrophobicContact CB-CZ 4.04Å; Q133-F164 HydrophobicContact CG-CD1 4.44Å; Q133-F164 HydrophobicContact CG-CD2 4.09Å; Q133-F164 HydrophobicContact CG-CE1 4.45Å; Q133-F164 HydrophobicContact CG-CE2 4.15Å; Q133-F164 HydrophobicContact CG-CG 4.23Å; Q133-F164 HydrophobicContact CG-CZ 4.29Å; Q133-F164 VanDerWaalsContact OE1-CZ 3.3Å
134	D	91.9	Very high	88.8	Confident	94 Å²	94	50.6 Å²	50.6	50%	0.503	25%	0.253	S	S	.	.	H	α-helix	trans	-57.1	-38.9	178.4	-82	-16	0	0	0	112.2	D130 F132 T138 R141	D130-D134 PolarHBondContact O-N 2.96Å; F132-D134 PolarHBondContact O-N 3.49Å; D134-T138 WeakPolarHBondContact O-CB 3.4Å; D134-T138 PolarHBondContact O-N 3.06Å; D134-T138 VanDerWaalsContact O-N 3.09Å; D134-T138 PolarHBondContact O-OG1 3.35Å; D134-R141 PolarHBondContact O-NH2 2.69Å
135	C	93.1	Very high	88.4	Confident	38 Å²	38	53.6 Å²	53.6	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-63.7	-47.9	176.4	-170.2	0	0	0	0	111.4	C110 Q131 F132 Q133 T138 I139	C110-C135 WeakPolarHBondContact CA-SG 3.38Å; C110-C135 HydrophobicContact CB-CB 3.76Å; C110-C135 WeakPolarHBondContact CB-SG 3.05Å; C110-C135 WeakPolarHBondContact SG-CB 2.99Å; C110-C135 CovalentContact SG-SG 2.04Å; C110-C135 PolarHBondContact SG-SG 3.37Å; Q131-C135 WeakPolarHBondContact O-CB 3.4Å; Q131-C135 PolarHBondContact O-N 3.29Å; Q131-C135 VanDerWaalsContact O-N 3.08Å; F132-C135 WeakPolarHBondContact O-CB 3.18Å; F132-C135 PolarHBondContact O-N 3.33Å; Q133-C135 PolarHBondContact O-N 2.92Å; C135-T138 WeakPolarHBondContact O-CB 3.01Å; C135-T138 PolarHBondContact O-N 2.98Å; C135-I139 PolarHBondContact O-N 2.93Å
136	L	87.9	Confident	88	Confident	1 Å²	1	59 Å²	59	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-44.4	179.4	-67.8	177.4	0	0	0	112	M107 C110 F132 Q133 T138 I139 V160 L163 F164	M107-L136 HydrophobicContact CG-CD2 3.92Å; C110-L136 HydrophobicContact CB-CD2 4.09Å; F132-L136 HydrophobicContact CD1-CD1 4.14Å; F132-L136 HydrophobicContact CD2-CG 4.38Å; F132-L136 HydrophobicContact CE1-CD1 3.59Å; F132-L136 HydrophobicContact CE1-CG 4.37Å; F132-L136 HydrophobicContact CE2-CD1 4.09Å; F132-L136 HydrophobicContact CE2-CD2 4.09Å; F132-L136 HydrophobicContact CE2-CG 4Å; F132-L136 HydrophobicContact CZ-CD1 3.57Å; F132-L136 HydrophobicContact CZ-CD2 4.17Å; F132-L136 HydrophobicContact CZ-CG 4.01Å; F132-L136 WeakPolarHBondContact O-CG 3.28Å; F132-L136 PolarHBondContact O-N 2.97Å; Q133-L136 PolarHBondContact O-N 2.73Å; Q133-L136 VanDerWaalsContact O-N 3.08Å; L136-T138 PolarHBondContact O-N 3.42Å; L136-I139 HydrophobicContact CD2-CD1 4.17Å; L136-I139 WeakPolarHBondContact O-CB 3.46Å; L136-I139 PolarHBondContact O-N 3.27Å; L136-V160 HydrophobicContact CB-CB 4.29Å; L136-V160 HydrophobicContact CB-CG1 3.42Å; L136-V160 VanDerWaalsContact CB-CG1 3.42Å; L136-V160 HydrophobicContact CB-CG2 3.98Å; L136-V160 HydrophobicContact CD1-CG1 4.18Å; L136-V160 HydrophobicContact CG-CG1 4.45Å; L136-L163 HydrophobicContact CD1-CD2 3.92Å; L136-L163 HydrophobicContact CD1-CG 4.33Å; L136-L163 HydrophobicContact CD2-CD2 3.92Å; L136-F164 HydrophobicContact CD1-CB 4.4Å
137	E	87.6	Confident	87.5	Confident	66 Å²	66	60 Å²	60	31%	0.308	31%	0.306	S	S	.	.	H	α-helix	trans	-62	-34.1	177.4	-69.4	-176.1	178.7	0	0	112.4	Q133 I139 C140 R141 V160	Q133-E137 HydrophobicContact CG-CG 4.47Å; Q133-E137 WeakPolarHBondContact O-CG 3.45Å; Q133-E137 PolarHBondContact O-N 3.49Å; E137-I139 PolarHBondContact O-N 3.02Å; E137-C140 WeakPolarHBondContact O-CB 3.46Å; E137-C140 PolarHBondContact O-N 2.79Å; E137-C140 VanDerWaalsContact O-N 3.09Å; E137-R141 PolarHBondContact O-N 3.34Å; E137-R141 IonicContact OE2-NH1 3.01Å; E137-R141 PolarHBondContact OE2-NH1 3.07Å; E137-V160 HydrophobicContact CG-CG1 4.4Å
138	T	89.8	Confident	86.6	Confident	55 Å²	55	59.9 Å²	59.9	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-31.3	175.1	-61.7	0	0	0	0	111.7	D134 C135 L136 R141 N142	D134-T138 WeakPolarHBondContact O-CB 3.4Å; D134-T138 PolarHBondContact O-N 3.06Å; D134-T138 VanDerWaalsContact O-N 3.09Å; D134-T138 PolarHBondContact O-OG1 3.35Å; C135-T138 WeakPolarHBondContact O-CB 3.01Å; C135-T138 PolarHBondContact O-N 2.98Å; L136-T138 PolarHBondContact O-N 3.42Å; T138-R141 PolarHBondContact O-N 2.81Å; T138-R141 PolarHBondContact OG1-NH2 2.82Å; T138-N142 WeakPolarHBondContact O-CB 3.46Å; T138-N142 PolarHBondContact O-N 3.45Å; T138-N142 PolarHBondContact O-ND2 3.15Å
139	I	86.7	Confident	85.7	Confident	28 Å²	28	63.8 Å²	63.8	14%	0.144	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-49	173.2	-55.9	175.4	0	0	0	109.7	M107 C135 L136 E137 R141 N142 V143	M107-I139 HydrophobicContact CB-CD1 4.24Å; C135-I139 PolarHBondContact O-N 2.93Å; L136-I139 HydrophobicContact CD2-CD1 4.17Å; L136-I139 WeakPolarHBondContact O-CB 3.46Å; L136-I139 PolarHBondContact O-N 3.27Å; E137-I139 PolarHBondContact O-N 3.02Å; I139-R141 PolarHBondContact O-N 2.92Å; I139-N142 PolarHBondContact O-N 3.2Å; I139-N142 VanDerWaalsContact O-N 3.16Å; I139-V143 HydrophobicContact CG2-CG2 4.45Å; I139-V143 WeakPolarHBondContact O-CG2 3.32Å; I139-V143 PolarHBondContact O-N 3.44Å
140	C	83.6	Confident	84.3	Confident	3 Å²	3	68.7 Å²	68.7	2%	0.02	38%	0.382	C	S	.	.	H	α-helix	trans	-61.8	-43.7	179.2	-64.9	0	0	0	0	112.3	E137 N142 V143 Q144 V153 C156 V160	E137-C140 WeakPolarHBondContact O-CB 3.46Å; E137-C140 PolarHBondContact O-N 2.79Å; E137-C140 VanDerWaalsContact O-N 3.09Å; C140-N142 VanDerWaalsContact C-N 3.29Å; C140-N142 PolarHBondContact O-N 2.03Å; C140-V143 PolarHBondContact O-N 3.13Å; C140-Q144 PolarHBondContact O-N 2.7Å; C140-V153 HydrophobicContact CB-CG2 3.68Å; C140-V153 WeakPolarHBondContact O-CG2 3.46Å; C140-C156 WeakPolarHBondContact CA-SG 3.44Å; C140-C156 HydrophobicContact CB-CB 3.88Å; C140-C156 WeakPolarHBondContact CB-SG 3.35Å; C140-C156 WeakPolarHBondContact SG-CB 3.32Å; C140-C156 PolarHBondContact SG-O 2.7Å; C140-C156 VanDerWaalsContact SG-O 3.38Å; C140-C156 CovalentContact SG-SG 2.05Å; C140-C156 PolarHBondContact SG-SG 2.99Å; C140-V160 WeakPolarHBondContact SG-CG2 3.37Å
141	R	85.1	Confident	82.9	Confident	105 Å²	105	73.7 Å²	73.7	40%	0.396	40%	0.403	S	S	.	.	H	α-helix	trans	-59.4	-39.7	174.4	-68	-173.3	-75.1	-99.2	4.9	112.2	D134 E137 T138 I139 K145	D134-R141 PolarHBondContact O-NH2 2.69Å; E137-R141 PolarHBondContact O-N 3.34Å; E137-R141 IonicContact OE2-NH1 3.01Å; E137-R141 PolarHBondContact OE2-NH1 3.07Å; T138-R141 PolarHBondContact O-N 2.81Å; T138-R141 PolarHBondContact OG1-NH2 2.82Å; I139-R141 PolarHBondContact O-N 2.92Å; R141-K145 WeakPolarHBondContact O-CG 3.45Å; R141-K145 PolarHBondContact O-N 2.97Å; R141-K145 VanDerWaalsContact O-N 3.15Å
142	N	85.7	Confident	81.4	Confident	82 Å²	82	73 Å²	73	44%	0.439	41%	0.407	S	S	.	.	H	α-helix	trans	-71.5	-38.9	178.5	-71.8	-23.1	0	0	0	112.3	T138 I139 C140 K145 T146	T138-N142 WeakPolarHBondContact O-CB 3.46Å; T138-N142 PolarHBondContact O-N 3.45Å; T138-N142 PolarHBondContact O-ND2 3.15Å; I139-N142 PolarHBondContact O-N 3.2Å; I139-N142 VanDerWaalsContact O-N 3.16Å; C140-N142 VanDerWaalsContact C-N 3.29Å; C140-N142 PolarHBondContact O-N 2.03Å; N142-K145 PolarHBondContact O-N 3.18Å; N142-T146 VanDerWaalsContact O-CB 3.31Å; N142-T146 WeakPolarHBondContact O-CB 3.33Å; N142-T146 PolarHBondContact O-N 3.23Å; N142-T146 PolarHBondContact O-OG1 3.47Å
143	V	81.4	Confident	80.4	Confident	55 Å²	55	73.3 Å²	73.3	33%	0.333	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-47.2	173.8	170.2	0	0	0	0	110.6	I139 C140 K145 T146 L147 V153	I139-V143 HydrophobicContact CG2-CG2 4.45Å; I139-V143 WeakPolarHBondContact O-CG2 3.32Å; I139-V143 PolarHBondContact O-N 3.44Å; C140-V143 PolarHBondContact O-N 3.13Å; V143-K145 VanDerWaalsContact C-N 3.33Å; V143-K145 PolarHBondContact O-N 3.16Å; V143-T146 PolarHBondContact O-N 2.97Å; V143-L147 HydrophobicContact CG1-CD1 3.76Å; V143-L147 HydrophobicContact CG1-CG 4.42Å; V143-L147 WeakPolarHBondContact O-CB 2.97Å; V143-L147 PolarHBondContact O-N 3.33Å; V143-V153 HydrophobicContact CG1-CG1 4.44Å
144	Q	79.4	Confident	79.8	Confident	58 Å²	58	77.1 Å²	77.1	27%	0.271	43%	0.428	S	S	.	.	H	α-helix	trans	-55.8	-48.1	177.3	-173.3	-175.7	-5.8	0	0	111.6	C140 G148 L149 Q151 V153	C140-Q144 PolarHBondContact O-N 2.7Å; Q144-G148 PolarHBondContact O-N 2.97Å; Q144-G148 VanDerWaalsContact O-N 3.15Å; Q144-L149 HydrophobicContact CG-CB 4.19Å; Q144-L149 VanDerWaalsContact CG-O 3.26Å; Q144-L149 WeakPolarHBondContact CG-O 3.08Å; Q144-L149 PolarHBondContact NE2-O 2.99Å; Q144-L149 PolarHBondContact O-N 3.45Å; Q144-L149 VanDerWaalsContact O-N 3.08Å; Q144-Q151 PolarHBondContact NE2-O 2.93Å; Q144-V153 HydrophobicContact CB-CG1 3.94Å; Q144-V153 HydrophobicContact CB-CG2 4.35Å; Q144-V153 HydrophobicContact CG-CG1 4.39Å
145	K	83.1	Confident	79	Confident	167 Å²	167	76.7 Å²	76.7	73%	0.726	44%	0.437	S	S	*	.	H	α-helix	trans	-63.6	-44.2	177.3	-73.7	177.3	-176.8	177.5	0	112.7	R141 N142 V143 L147 G148	R141-K145 WeakPolarHBondContact O-CG 3.45Å; R141-K145 PolarHBondContact O-N 2.97Å; R141-K145 VanDerWaalsContact O-N 3.15Å; N142-K145 PolarHBondContact O-N 3.18Å; V143-K145 VanDerWaalsContact C-N 3.33Å; V143-K145 PolarHBondContact O-N 3.16Å; K145-L147 PolarHBondContact O-N 3.14Å; K145-G148 PolarHBondContact O-N 3.42Å
146	T	81.5	Confident	78.2	Confident	116 Å²	116	76.4 Å²	76.4	71%	0.712	44%	0.435	S	S	*	.	H	α-helix	trans	-67.9	-36.4	-175.5	-56.4	0	0	0	0	111.8	N142 V143	N142-T146 VanDerWaalsContact O-CB 3.31Å; N142-T146 WeakPolarHBondContact O-CB 3.33Å; N142-T146 PolarHBondContact O-N 3.23Å; N142-T146 PolarHBondContact O-OG1 3.47Å; V143-T146 PolarHBondContact O-N 2.97Å
147	L	78.4	Confident	77.8	Confident	117 Å²	117	80.3 Å²	80.3	61%	0.613	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-0.8	179.8	-62.9	178.8	0	0	0	113.5	V143 K145 L149	V143-L147 HydrophobicContact CG1-CD1 3.76Å; V143-L147 HydrophobicContact CG1-CG 4.42Å; V143-L147 WeakPolarHBondContact O-CB 2.97Å; V143-L147 PolarHBondContact O-N 3.33Å; K145-L147 PolarHBondContact O-N 3.14Å; L147-L149 HydrophobicContact CB-CD1 4.01Å; L147-L149 HydrophobicContact CB-CG 3.84Å; L147-L149 HydrophobicContact CD1-CD1 4.13Å; L147-L149 PolarHBondContact O-N 2.94Å
148	G	73.3	Confident	77.3	Confident	64 Å²	64	80.5 Å²	80.5	66%	0.66	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	26.9	-179.1	0	0	0	0	0	113.7	Q144 K145 A150	Q144-G148 PolarHBondContact O-N 2.97Å; Q144-G148 VanDerWaalsContact O-N 3.15Å; K145-G148 PolarHBondContact O-N 3.42Å; G148-A150 PolarHBondContact O-N 3.22Å
149	L	74.8	Confident	76.5	Confident	83 Å²	83	80.8 Å²	80.8	44%	0.435	47%	0.47	S	S	.	.			trans	-74.5	115.3	-177.5	-65.7	171.2	0	0	0	109.7	Q144 L147 Q151 V153	Q144-L149 HydrophobicContact CG-CB 4.19Å; Q144-L149 VanDerWaalsContact CG-O 3.26Å; Q144-L149 WeakPolarHBondContact CG-O 3.08Å; Q144-L149 PolarHBondContact NE2-O 2.99Å; Q144-L149 PolarHBondContact O-N 3.45Å; Q144-L149 VanDerWaalsContact O-N 3.08Å; L147-L149 HydrophobicContact CB-CD1 4.01Å; L147-L149 HydrophobicContact CB-CG 3.84Å; L147-L149 HydrophobicContact CD1-CD1 4.13Å; L147-L149 PolarHBondContact O-N 2.94Å; L149-Q151 PolarHBondContact O-N 2.88Å; L149-V153 HydrophobicContact CD1-CG1 3.75Å
150	A	61.6	Low	76.1	Confident	103 Å²	103	80.2 Å²	80.2	85%	0.851	47%	0.468	S	S	*	.	S	Bend	trans	-72.3	-14.8	179.8	0	0	0	0	0	113.8	G148	G148-A150 PolarHBondContact O-N 3.22Å
151	Q	62.4	Low	75.7	Confident	163 Å²	163	83.4 Å²	83.4	76%	0.762	49%	0.487	S	S	*	.	S	Bend	trans	-112.1	162.1	179.8	-71.1	176.3	-7.7	0	0	111.4	Q144 L149	Q144-Q151 PolarHBondContact NE2-O 2.93Å; L149-Q151 PolarHBondContact O-N 2.88Å
152	S	61.9	Low	75.1	Confident	67 Å²	67	84.4 Å²	84.4	47%	0.469	50%	0.5	S	S	.	.			trans	-55.3	142.2	177.7	122.9	0	0	0	0	110.7	Q154 E157	S152-Q154 PolarHBondContact O-N 3.46Å; S152-Q154 PolarHBondContact OG-N 2.77Å; S152-E157 PolarHBondContact OG-OE2 2.88Å
153	V	71	Confident	74.4	Confident	14 Å²	14	81.5 Å²	81.5	9%	0.085	48%	0.484	C	S	.	.			trans	-81.6	62.3	171.6	-75.4	0	0	0	0	109.1	C140 V143 Q144 L149 A155 C156 E157	C140-V153 HydrophobicContact CB-CG2 3.68Å; C140-V153 WeakPolarHBondContact O-CG2 3.46Å; V143-V153 HydrophobicContact CG1-CG1 4.44Å; Q144-V153 HydrophobicContact CB-CG1 3.94Å; Q144-V153 HydrophobicContact CB-CG2 4.35Å; Q144-V153 HydrophobicContact CG-CG1 4.39Å; L149-V153 HydrophobicContact CD1-CG1 3.75Å; V153-A155 PolarHBondContact O-N 3.49Å; V153-C156 HydrophobicContact CB-CB 3.78Å; V153-C156 HydrophobicContact CG2-CB 3.78Å; V153-C156 WeakPolarHBondContact O-CA 3.38Å; V153-C156 VanDerWaalsContact O-CB 3.3Å; V153-C156 WeakPolarHBondContact O-CB 3.2Å; V153-C156 PolarHBondContact O-N 3.32Å; V153-E157 HydrophobicContact CG2-CG 4.45Å; V153-E157 PolarHBondContact O-N 3.45Å
154	Q	76.9	Confident	73.8	Confident	140 Å²	140	79.9 Å²	79.9	65%	0.654	47%	0.473	S	S	*	.	H	α-helix	trans	-52.4	-36.8	-173.2	-170.7	175.8	8.7	0	0	112.7	S152 E157 S158	S152-Q154 PolarHBondContact O-N 3.46Å; S152-Q154 PolarHBondContact OG-N 2.77Å; Q154-E157 PolarHBondContact O-N 2.91Å; Q154-S158 WeakPolarHBondContact O-CB 3.17Å; Q154-S158 PolarHBondContact O-N 3.44Å; Q154-S158 PolarHBondContact O-OG 2.99Å
155	A	74.6	Confident	73.4	Confident	86 Å²	86	80.7 Å²	80.7	71%	0.711	48%	0.479	S	S	*	.	H	α-helix	trans	-66	-36.7	175.1	0	0	0	0	0	113.2	V153 A159	V153-A155 PolarHBondContact O-N 3.49Å; A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.3Å; A155-A159 VanDerWaalsContact O-N 3.13Å
156	C	76.4	Confident	72.8	Confident	31 Å²	31	74.1 Å²	74.1	21%	0.209	46%	0.456	C	S	.	.	H	α-helix	trans	-70.4	-46.7	174.6	-173.1	0	0	0	0	110.9	C140 V153 S158 A159 V160	C140-C156 WeakPolarHBondContact CA-SG 3.44Å; C140-C156 HydrophobicContact CB-CB 3.88Å; C140-C156 WeakPolarHBondContact CB-SG 3.35Å; C140-C156 WeakPolarHBondContact SG-CB 3.32Å; C140-C156 PolarHBondContact SG-O 2.7Å; C140-C156 VanDerWaalsContact SG-O 3.38Å; C140-C156 CovalentContact SG-SG 2.05Å; C140-C156 PolarHBondContact SG-SG 2.99Å; V153-C156 HydrophobicContact CB-CB 3.78Å; V153-C156 HydrophobicContact CG2-CB 3.78Å; V153-C156 WeakPolarHBondContact O-CA 3.38Å; V153-C156 VanDerWaalsContact O-CB 3.3Å; V153-C156 WeakPolarHBondContact O-CB 3.2Å; V153-C156 PolarHBondContact O-N 3.32Å; C156-S158 VanDerWaalsContact C-N 3.34Å; C156-S158 PolarHBondContact O-N 3.1Å; C156-A159 PolarHBondContact O-N 2.93Å; C156-V160 WeakPolarHBondContact O-CB 3.4Å; C156-V160 WeakPolarHBondContact O-CG2 3.27Å; C156-V160 PolarHBondContact O-N 3.43Å
157	E	78.9	Confident	72.2	Confident	84 Å²	84	70 Å²	70	39%	0.393	43%	0.43	S	S	.	.	H	α-helix	trans	-59.1	-45.4	178.9	-70	169.6	167.7	0	0	111	S152 V153 Q154 V160 T161	S152-E157 PolarHBondContact OG-OE2 2.88Å; V153-E157 HydrophobicContact CG2-CG 4.45Å; V153-E157 PolarHBondContact O-N 3.45Å; Q154-E157 PolarHBondContact O-N 2.91Å; E157-V160 PolarHBondContact O-N 3.33Å; E157-T161 WeakPolarHBondContact O-CB 3.28Å; E157-T161 PolarHBondContact O-N 3.09Å; E157-T161 PolarHBondContact O-OG1 2.78Å
158	S	77.4	Confident	71.8	Confident	70 Å²	70	66.1 Å²	66.1	49%	0.49	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-41.5	175.1	-66.1	0	0	0	0	112.8	Q154 C156 T161 L162	Q154-S158 WeakPolarHBondContact O-CB 3.17Å; Q154-S158 PolarHBondContact O-N 3.44Å; Q154-S158 PolarHBondContact O-OG 2.99Å; C156-S158 VanDerWaalsContact C-N 3.34Å; C156-S158 PolarHBondContact O-N 3.1Å; S158-T161 PolarHBondContact O-N 3.07Å; S158-L162 WeakPolarHBondContact O-CB 3.33Å; S158-L162 PolarHBondContact O-N 3.27Å
159	A	73.3	Confident	71.5	Confident	60 Å²	60	67.9 Å²	67.9	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-66.6	-42.1	178	0	0	0	0	0	112.1	A155 C156 L162 L163	A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.3Å; A155-A159 VanDerWaalsContact O-N 3.13Å; C156-A159 PolarHBondContact O-N 2.93Å; A159-L162 PolarHBondContact O-N 2.97Å; A159-L163 WeakPolarHBondContact O-CB 3.47Å; A159-L163 PolarHBondContact O-N 3.3Å
160	V	77	Confident	71.5	Confident	16 Å²	16	65.4 Å²	65.4	10%	0.097	39%	0.387	C	S	.	.	H	α-helix	trans	-63.4	-43.6	174.4	159.3	0	0	0	0	111.1	L136 E137 C140 C156 E157 L163 F164	L136-V160 HydrophobicContact CB-CB 4.29Å; L136-V160 HydrophobicContact CB-CG1 3.42Å; L136-V160 VanDerWaalsContact CB-CG1 3.42Å; L136-V160 HydrophobicContact CB-CG2 3.98Å; L136-V160 HydrophobicContact CD1-CG1 4.18Å; L136-V160 HydrophobicContact CG-CG1 4.45Å; E137-V160 HydrophobicContact CG-CG1 4.4Å; C140-V160 WeakPolarHBondContact SG-CG2 3.37Å; C156-V160 WeakPolarHBondContact O-CB 3.4Å; C156-V160 WeakPolarHBondContact O-CG2 3.27Å; C156-V160 PolarHBondContact O-N 3.43Å; E157-V160 PolarHBondContact O-N 3.33Å; V160-L163 PolarHBondContact O-N 3.32Å; V160-F164 VanDerWaalsContact O-CB 3.29Å; V160-F164 WeakPolarHBondContact O-CB 3.02Å; V160-F164 PolarHBondContact O-N 3.32Å
161	T	74.8	Confident	72.3	Confident	70 Å²	70	60.6 Å²	60.6	43%	0.429	35%	0.348	S	S	.	.	H	α-helix	trans	-61.7	-46.8	177.8	-57.3	0	0	0	0	110.7	E157 S158 L163 F164 D165	E157-T161 WeakPolarHBondContact O-CB 3.28Å; E157-T161 PolarHBondContact O-N 3.09Å; E157-T161 PolarHBondContact O-OG1 2.78Å; S158-T161 PolarHBondContact O-N 3.07Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 3.32Å; T161-F164 PolarHBondContact O-N 2.03Å; T161-D165 WeakPolarHBondContact O-CB 3.27Å; T161-D165 PolarHBondContact O-N 3.46Å
162	L	73.3	Confident	73.4	Confident	127 Å²	127	53 Å²	53	67%	0.665	31%	0.313	S	S	*	.	H	α-helix	trans	-62.1	-42	177.6	-178.2	67	0	0	0	112.1	S158 A159 A166	S158-L162 WeakPolarHBondContact O-CB 3.33Å; S158-L162 PolarHBondContact O-N 3.27Å; A159-L162 PolarHBondContact O-N 2.97Å; L162-A166 WeakPolarHBondContact O-CB 3.25Å; L162-A166 PolarHBondContact O-N 3.07Å
163	L	70.6	Confident	74.4	Confident	21 Å²	21	53.5 Å²	53.5	11%	0.11	31%	0.307	C	S	.	.	H	α-helix	trans	-63.7	-46.8	176.8	179.4	67.4	0	0	0	111.1	F100 M107 L136 A159 V160 T161 A166 V167	F100-L163 HydrophobicContact CB-CD1 4.5Å; F100-L163 HydrophobicContact CD2-CD1 4.45Å; F100-L163 HydrophobicContact CG-CD1 4.44Å; M107-L163 HydrophobicContact CE-CD2 4.39Å; M107-L163 HydrophobicContact CG-CD2 3.94Å; M107-L163 HydrophobicContact SD-CD2 3.44Å; M107-L163 WeakPolarHBondContact SD-CD2 3.44Å; L136-L163 HydrophobicContact CD1-CD2 3.92Å; L136-L163 HydrophobicContact CD1-CG 4.33Å; L136-L163 HydrophobicContact CD2-CD2 3.92Å; A159-L163 WeakPolarHBondContact O-CB 3.47Å; A159-L163 PolarHBondContact O-N 3.3Å; V160-L163 PolarHBondContact O-N 3.32Å; T161-L163 VanDerWaalsContact C-N 3.34Å; T161-L163 PolarHBondContact O-N 3.32Å; L163-A166 PolarHBondContact O-N 3.34Å; L163-V167 HydrophobicContact CD1-CG2 4.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 3.29Å
164	F	70.3	Confident	75.1	Confident	21 Å²	21	54.3 Å²	54.3	9%	0.092	31%	0.312	C	S	.	.	H	α-helix	trans	-58.9	-52.2	176.5	175.6	-104.6	0	0	0	110.7	D129 F132 Q133 L136 V160 T161 A166 V167 M168	D129-F164 HydrophobicContact CB-CE2 4.47Å; D129-F164 WeakPolarHBondContact O-CE2 3.48Å; F132-F164 HydrophobicContact CD1-CD2 4.16Å; Q133-F164 HydrophobicContact CB-CD2 3.72Å; Q133-F164 HydrophobicContact CB-CE2 3.55Å; Q133-F164 HydrophobicContact CB-CG 4.36Å; Q133-F164 HydrophobicContact CB-CZ 4.04Å; Q133-F164 HydrophobicContact CG-CD1 4.44Å; Q133-F164 HydrophobicContact CG-CD2 4.09Å; Q133-F164 HydrophobicContact CG-CE1 4.45Å; Q133-F164 HydrophobicContact CG-CE2 4.15Å; Q133-F164 HydrophobicContact CG-CG 4.23Å; Q133-F164 HydrophobicContact CG-CZ 4.29Å; Q133-F164 VanDerWaalsContact OE1-CZ 3.3Å; L136-F164 HydrophobicContact CD1-CB 4.4Å; V160-F164 VanDerWaalsContact O-CB 3.29Å; V160-F164 WeakPolarHBondContact O-CB 3.02Å; V160-F164 PolarHBondContact O-N 3.32Å; T161-F164 PolarHBondContact O-N 2.03Å; F164-A166 VanDerWaalsContact C-N 3.27Å; F164-A166 PolarHBondContact O-N 3.29Å; F164-V167 CarbonylContact O-C 3.59Å; F164-V167 PolarHBondContact O-N 3.31Å; F164-V167 VanDerWaalsContact O-N 3.07Å; F164-M168 HydrophobicContact CD1-CG 3.85Å; F164-M168 HydrophobicContact CD2-CG 3.92Å; F164-M168 HydrophobicContact CD2-SD 4.28Å; F164-M168 HydrophobicContact CE1-CG 3.48Å; F164-M168 VanDerWaalsContact CE1-CG 3.48Å; F164-M168 HydrophobicContact CE1-SD 4.21Å; F164-M168 HydrophobicContact CE2-CG 3.52Å; F164-M168 HydrophobicContact CE2-SD 3.44Å; F164-M168 WeakPolarHBondContact CE2-SD 2.96Å; F164-M168 HydrophobicContact CG-CG 4.08Å; F164-M168 HydrophobicContact CZ-CE 4.21Å; F164-M168 HydrophobicContact CZ-CG 3.32Å; F164-M168 HydrophobicContact CZ-SD 3.43Å; F164-M168 WeakPolarHBondContact CZ-SD 3.29Å; F164-M168 WeakPolarHBondContact O-CB 3.43Å; F164-M168 VanDerWaalsContact O-CG 3.23Å; F164-M168 WeakPolarHBondContact O-CG 3.37Å; F164-M168 PolarHBondContact O-N 3.09Å
165	D	70.8	Confident	75.8	Confident	74 Å²	74	48 Å²	48	40%	0.396	28%	0.283	S	S	.	.	H	α-helix	trans	-56.3	-42	178.4	-79.4	-11.8	0	0	0	111.8	T161 M168 H169	T161-D165 WeakPolarHBondContact O-CB 3.27Å; T161-D165 PolarHBondContact O-N 3.46Å; D165-M168 PolarHBondContact O-N 2.04Å; D165-H169 PolarHBondContact O-N 3.48Å; D165-H169 PolarHBondContact O-ND1 3.35Å
166	A	70.8	Confident	76.5	Confident	30 Å²	30	46.1 Å²	46.1	25%	0.248	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-49.3	175.3	0	0	0	0	0	111.6	L162 L163 F164 M168 L170	L162-A166 WeakPolarHBondContact O-CB 3.25Å; L162-A166 PolarHBondContact O-N 3.07Å; L163-A166 PolarHBondContact O-N 3.34Å; F164-A166 VanDerWaalsContact C-N 3.27Å; F164-A166 PolarHBondContact O-N 3.29Å; A166-M168 VanDerWaalsContact C-N 3.33Å; A166-M168 PolarHBondContact O-N 3.47Å; A166-L170 HydrophobicContact CB-CD1 4.44Å; A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 WeakPolarHBondContact O-CD1 3.49Å; A166-L170 WeakPolarHBondContact O-CG 2.95Å; A166-L170 PolarHBondContact O-N 2.91Å
167	V	68.1	Low	77.1	Confident	29 Å²	29	47 Å²	47	18%	0.176	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-37.7	179.2	172.3	0	0	0	0	111.6	F132 L163 F164 G171	F132-V167 HydrophobicContact CD1-CG1 4.18Å; F132-V167 HydrophobicContact CE1-CB 3.93Å; F132-V167 HydrophobicContact CE1-CG1 3.82Å; F132-V167 HydrophobicContact CE1-CG2 3.94Å; F132-V167 HydrophobicContact CZ-CG2 4.31Å; L163-V167 HydrophobicContact CD1-CG2 4.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 3.29Å; F164-V167 CarbonylContact O-C 3.59Å; F164-V167 PolarHBondContact O-N 3.31Å; F164-V167 VanDerWaalsContact O-N 3.07Å; V167-G171 WeakPolarHBondContact O-CA 3.1Å; V167-G171 PolarHBondContact O-N 3.48Å
168	M	69.2	Low	77.7	Confident	35 Å²	35	44 Å²	44	17%	0.172	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-51.5	-180	-77.2	-53.3	-69.6	0	0	112.7	K125 D129 F164 D165 A166	K125-M168 PolarHBondContact NZ-O 2.88Å; D129-M168 HydrophobicContact CB-CE 3.78Å; D129-M168 HydrophobicContact CB-SD 3.28Å; D129-M168 WeakPolarHBondContact CB-SD 3.1Å; D129-M168 WeakPolarHBondContact OD2-CE 2.99Å; F164-M168 HydrophobicContact CD1-CG 3.85Å; F164-M168 HydrophobicContact CD2-CG 3.92Å; F164-M168 HydrophobicContact CD2-SD 4.28Å; F164-M168 HydrophobicContact CE1-CG 3.48Å; F164-M168 VanDerWaalsContact CE1-CG 3.48Å; F164-M168 HydrophobicContact CE1-SD 4.21Å; F164-M168 HydrophobicContact CE2-CG 3.52Å; F164-M168 HydrophobicContact CE2-SD 3.44Å; F164-M168 WeakPolarHBondContact CE2-SD 2.96Å; F164-M168 HydrophobicContact CG-CG 4.08Å; F164-M168 HydrophobicContact CZ-CE 4.21Å; F164-M168 HydrophobicContact CZ-CG 3.32Å; F164-M168 HydrophobicContact CZ-SD 3.43Å; F164-M168 WeakPolarHBondContact CZ-SD 3.29Å; F164-M168 WeakPolarHBondContact O-CB 3.43Å; F164-M168 VanDerWaalsContact O-CG 3.23Å; F164-M168 WeakPolarHBondContact O-CG 3.37Å; F164-M168 PolarHBondContact O-N 3.09Å; D165-M168 PolarHBondContact O-N 2.04Å; A166-M168 VanDerWaalsContact C-N 3.33Å; A166-M168 PolarHBondContact O-N 3.47Å
169	H	67.1	Low	78.5	Confident	102 Å²	102	40.7 Å²	40.7	47%	0.472	23%	0.228	S	C	.	.	H	α-helix	trans	-73.8	-39	-178.3	-65.4	79.8	0	0	0	110	F60 G61 D165 G171	F60-H169 CarbonylContact C-O 2.82Å; F60-H169 WeakPolarHBondContact CA-O 3.02Å; F60-H169 CarbonylContact O-C 3.39Å; G61-H169 PolarHBondContact N-O 2.77Å; D165-H169 PolarHBondContact O-N 3.48Å; D165-H169 PolarHBondContact O-ND1 3.35Å; H169-G171 VanDerWaalsContact C-N 3.26Å; H169-G171 PolarHBondContact O-N 2.75Å
170	L	74.3	Confident	79.4	Confident	30 Å²	30	44 Å²	44	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-80.7	-5.9	179.5	-60.4	170.6	0	0	0	113.8	F60 F96 F98 A166 C172 P174	F60-L170 HydrophobicContact CD1-CD2 3.19Å; F60-L170 HydrophobicContact CD1-CG 4.4Å; F60-L170 HydrophobicContact CE1-CD2 3.33Å; F60-L170 HydrophobicContact CG-CD2 4.45Å; F96-L170 HydrophobicContact CD1-CD2 4.44Å; F96-L170 HydrophobicContact CD2-CB 4.39Å; F96-L170 HydrophobicContact CD2-CD2 4.41Å; F96-L170 HydrophobicContact CE1-CD2 3.75Å; F96-L170 HydrophobicContact CE2-CB 3.66Å; F96-L170 HydrophobicContact CE2-CD2 3.76Å; F96-L170 HydrophobicContact CE2-CG 4.19Å; F96-L170 HydrophobicContact CZ-CB 4.06Å; F96-L170 HydrophobicContact CZ-CD2 3.38Å; F96-L170 HydrophobicContact CZ-CG 4.27Å; F98-L170 HydrophobicContact CZ-CD1 4.17Å; A166-L170 HydrophobicContact CB-CD1 4.44Å; A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 WeakPolarHBondContact O-CD1 3.49Å; A166-L170 WeakPolarHBondContact O-CG 2.95Å; A166-L170 PolarHBondContact O-N 2.91Å; L170-C172 PolarHBondContact O-N 3.28Å; L170-P174 VanDerWaalsContact O-CD 3.27Å; L170-P174 WeakPolarHBondContact O-CD 3.34Å
171	G	80.1	Confident	80.1	Confident	3 Å²	3	48.9 Å²	48.9	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.9	-166	0	0	0	0	0	115.1	V167 H169 P174 Y175	V167-G171 WeakPolarHBondContact O-CA 3.1Å; V167-G171 PolarHBondContact O-N 3.48Å; H169-G171 VanDerWaalsContact C-N 3.26Å; H169-G171 PolarHBondContact O-N 2.75Å; G171-P174 WeakPolarHBondContact O-CD 3.49Å; G171-P174 VanDerWaalsContact O-CG 3.29Å; G171-P174 WeakPolarHBondContact O-CG 3.28Å; G171-Y175 WeakPolarHBondContact O-CB 3.38Å; G171-Y175 PolarHBondContact O-N 2.66Å
172	C	84.1	Confident	81.1	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.027	23%	0.229	C	C	.	.	H	α-helix	trans	-68.7	-44.8	-173.2	-76.5	0	0	0	0	114.6	G61 C67 L170 Y175 M176	G61-C172 WeakPolarHBondContact CA-SG 3.3Å; C67-C172 HydrophobicContact CB-CB 3.62Å; C67-C172 WeakPolarHBondContact CB-SG 3.36Å; C67-C172 WeakPolarHBondContact SG-CB 3.39Å; C67-C172 CovalentContact SG-SG 1.99Å; C67-C172 PolarHBondContact SG-SG 2.9Å; L170-C172 PolarHBondContact O-N 3.28Å; C172-Y175 PolarHBondContact O-N 2.93Å; C172-M176 WeakPolarHBondContact O-CB 3.29Å; C172-M176 WeakPolarHBondContact O-CG 3.3Å; C172-M176 PolarHBondContact O-N 2.88Å
173	K	84.2	Confident	82	Confident	77 Å²	77	39.6 Å²	39.6	34%	0.335	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-53	175.6	178.1	162.7	165.9	49.9	0	112	L59 V95 Y175 M176 D177	L59-K173 HydrophobicContact CD1-CB 4.45Å; L59-K173 HydrophobicContact CD1-CD 3.63Å; V95-K173 HydrophobicContact CB-CD 4.48Å; V95-K173 HydrophobicContact CG1-CD 3.66Å; V95-K173 HydrophobicContact CG1-CG 4.34Å; V95-K173 HydrophobicContact CG2-CB 4.49Å; V95-K173 HydrophobicContact CG2-CD 3.94Å; V95-K173 HydrophobicContact CG2-CG 3.89Å; K173-Y175 VanDerWaalsContact C-N 3.34Å; K173-Y175 PolarHBondContact O-N 3.45Å; K173-M176 PolarHBondContact O-N 3.23Å; K173-D177 WeakPolarHBondContact CG-OD2 3.24Å; K173-D177 IonicContact NZ-OD1 3.86Å; K173-D177 IonicContact NZ-OD2 2.69Å; K173-D177 PolarHBondContact NZ-OD2 3.34Å; K173-D177 WeakPolarHBondContact O-CB 3.45Å; K173-D177 VanDerWaalsContact O-CG 3.26Å; K173-D177 PolarHBondContact O-N 3.29Å
174	P	86	Confident	83.1	Confident	31 Å²	31	38.8 Å²	38.8	20%	0.201	19%	0.193	C	C	.	.	H	α-helix	trans	-61.6	-40.1	177.4	20.8	-29.6	0	0	0	112.3	L170 G171 M176 D177 S178	L170-P174 VanDerWaalsContact O-CD 3.27Å; L170-P174 WeakPolarHBondContact O-CD 3.34Å; G171-P174 WeakPolarHBondContact O-CD 3.49Å; G171-P174 VanDerWaalsContact O-CG 3.29Å; G171-P174 WeakPolarHBondContact O-CG 3.28Å; P174-M176 PolarHBondContact O-N 2.92Å; P174-D177 PolarHBondContact O-N 3.04Å; P174-S178 WeakPolarHBondContact O-CB 3.42Å; P174-S178 PolarHBondContact O-N 2.89Å; P174-S178 PolarHBondContact O-OG 2.89Å
175	Y	90.1	Very high	84	Confident	7 Å²	7	38.2 Å²	38.2	3%	0.027	19%	0.192	C	C	.	.	H	α-helix	trans	-56.8	-52.3	173.9	173.1	-101	0	0	0	112.2	C67 Y118 R123 K125 G171 C172 K173 D177 S178 Q179	C67-Y175 VanDerWaalsContact O-CD1 3.25Å; C67-Y175 WeakPolarHBondContact O-CD1 3.34Å; C67-Y175 WeakPolarHBondContact O-CE1 3.09Å; Y118-Y175 AromaticContact CD1-CD2 3.83Å; Y118-Y175 HydrophobicContact CD1-CD2 3.83Å; Y118-Y175 HydrophobicContact CD2-CD2 4.35Å; Y118-Y175 AromaticContact CE1-CD2 3.98Å; Y118-Y175 HydrophobicContact CE1-CD2 3.98Å; Y118-Y175 HydrophobicContact CE2-CD2 4.48Å; Y118-Y175 HydrophobicContact CG-CD2 4.02Å; R123-Y175 WeakPolarHBondContact O-CE2 3.45Å; R123-Y175 PolarHBondContact O-OH 3.34Å; K125-Y175 HydrophobicContact CB-CD1 4.06Å; K125-Y175 HydrophobicContact CB-CD2 3.75Å; K125-Y175 HydrophobicContact CB-CE1 4.04Å; K125-Y175 HydrophobicContact CB-CE2 3.71Å; K125-Y175 HydrophobicContact CB-CG 3.92Å; K125-Y175 HydrophobicContact CD-CD1 4.23Å; K125-Y175 HydrophobicContact CD-CG 4.05Å; K125-Y175 HydrophobicContact CG-CD1 4.5Å; K125-Y175 HydrophobicContact CG-CD2 4.12Å; K125-Y175 HydrophobicContact CG-CG 4.07Å; G171-Y175 WeakPolarHBondContact O-CB 3.38Å; G171-Y175 PolarHBondContact O-N 2.66Å; C172-Y175 PolarHBondContact O-N 2.93Å; K173-Y175 VanDerWaalsContact C-N 3.34Å; K173-Y175 PolarHBondContact O-N 3.45Å; Y175-D177 VanDerWaalsContact C-N 3.31Å; Y175-D177 PolarHBondContact O-N 3.16Å; Y175-S178 PolarHBondContact O-N 3.39Å; Y175-Q179 HydrophobicContact CD1-CG 4.37Å; Y175-Q179 HydrophobicContact CD2-CG 4.17Å; Y175-Q179 HydrophobicContact CE1-CG 3.94Å; Y175-Q179 HydrophobicContact CE2-CG 3.73Å; Y175-Q179 HydrophobicContact CG-CG 4.48Å; Y175-Q179 VanDerWaalsContact O-CG 3.28Å; Y175-Q179 WeakPolarHBondContact O-CG 3.36Å; Y175-Q179 PolarHBondContact O-N 2.69Å
176	M	88.9	Confident	84.4	Confident	46 Å²	46	38.2 Å²	38.2	23%	0.227	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-35.8	-177.7	-69.7	-65.6	-83.7	0	0	112.1	Y69 C172 K173 P174 R180	Y69-M176 HydrophobicContact CD2-CE 4.18Å; Y69-M176 HydrophobicContact CD2-SD 4.11Å; C172-M176 WeakPolarHBondContact O-CB 3.29Å; C172-M176 WeakPolarHBondContact O-CG 3.3Å; C172-M176 PolarHBondContact O-N 2.88Å; K173-M176 PolarHBondContact O-N 3.23Å; P174-M176 PolarHBondContact O-N 2.92Å; M176-R180 VanDerWaalsContact O-CG 3.25Å; M176-R180 WeakPolarHBondContact O-CG 3.42Å; M176-R180 PolarHBondContact O-N 3.32Å
177	D	89.8	Confident	84.5	Confident	49 Å²	49	43.7 Å²	43.7	26%	0.262	21%	0.205	S	C	.	.	H	α-helix	trans	-68.8	-46.5	176.3	-68.6	-18.5	0	0	0	110.7	K173 P174 Y175 Q179 R180 E181	K173-D177 WeakPolarHBondContact CG-OD2 3.24Å; K173-D177 IonicContact NZ-OD1 3.86Å; K173-D177 IonicContact NZ-OD2 2.69Å; K173-D177 PolarHBondContact NZ-OD2 3.34Å; K173-D177 WeakPolarHBondContact O-CB 3.45Å; K173-D177 VanDerWaalsContact O-CG 3.26Å; K173-D177 PolarHBondContact O-N 3.29Å; P174-D177 PolarHBondContact O-N 3.04Å; Y175-D177 VanDerWaalsContact C-N 3.31Å; Y175-D177 PolarHBondContact O-N 3.16Å; D177-Q179 VanDerWaalsContact C-N 3.31Å; D177-Q179 PolarHBondContact O-N 3.12Å; D177-R180 PolarHBondContact O-N 2.82Å; D177-R180 VanDerWaalsContact O-N 3.16Å; D177-R180 IonicContact OD1-NH1 2.98Å; D177-R180 PolarHBondContact OD1-NH1 3.31Å; D177-E181 WeakPolarHBondContact O-CG 3.14Å; D177-E181 PolarHBondContact O-N 3.21Å
178	S	92.2	Very high	84.6	Confident	23 Å²	23	46 Å²	46	16%	0.161	21%	0.214	C	C	.	.	H	α-helix	trans	-57.5	-40.7	173.1	-76.5	0	0	0	0	112.9	Y118 D119 P174 Y175 E181 S182	Y118-S178 WeakPolarHBondContact O-CB 3.25Å; D119-S178 WeakPolarHBondContact OD1-CB 3.45Å; D119-S178 PolarHBondContact OD1-OG 2.97Å; P174-S178 WeakPolarHBondContact O-CB 3.42Å; P174-S178 PolarHBondContact O-N 2.89Å; P174-S178 PolarHBondContact O-OG 2.89Å; Y175-S178 PolarHBondContact O-N 3.39Å; S178-E181 PolarHBondContact O-N 3.37Å; S178-S182 VanDerWaalsContact O-CB 3.3Å; S178-S182 WeakPolarHBondContact O-CB 3.48Å; S178-S182 PolarHBondContact O-N 2.95Å; S178-S182 PolarHBondContact O-OG 3.08Å
179	Q	93.9	Very high	84.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.6	-37.3	176.7	-68.1	-65.3	-61.9	0	0	112.3	Y69 Y118 T120 Y175 D177 E181 C183	Y69-Q179 HydrophobicContact CD1-CB 3.69Å; Y69-Q179 HydrophobicContact CD1-CG 4.36Å; Y69-Q179 HydrophobicContact CD2-CB 3.62Å; Y69-Q179 HydrophobicContact CE1-CB 4.12Å; Y69-Q179 HydrophobicContact CE2-CB 4.08Å; Y69-Q179 HydrophobicContact CG-CB 3.41Å; Y69-Q179 VanDerWaalsContact CG-CB 3.41Å; Y69-Q179 HydrophobicContact CG-CG 4.05Å; Y118-Q179 PolarHBondContact O-NE2 2.84Å; T120-Q179 PolarHBondContact O-NE2 2.92Å; Y175-Q179 HydrophobicContact CD1-CG 4.37Å; Y175-Q179 HydrophobicContact CD2-CG 4.17Å; Y175-Q179 HydrophobicContact CE1-CG 3.94Å; Y175-Q179 HydrophobicContact CE2-CG 3.73Å; Y175-Q179 HydrophobicContact CG-CG 4.48Å; Y175-Q179 VanDerWaalsContact O-CG 3.28Å; Y175-Q179 WeakPolarHBondContact O-CG 3.36Å; Y175-Q179 PolarHBondContact O-N 2.69Å; D177-Q179 VanDerWaalsContact C-N 3.31Å; D177-Q179 PolarHBondContact O-N 3.12Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; Q179-E181 PolarHBondContact O-N 3.19Å; Q179-C183 WeakPolarHBondContact O-CA 3.31Å; Q179-C183 WeakPolarHBondContact O-CB 3.36Å; Q179-C183 PolarHBondContact O-N 3.26Å; Q179-C183 PolarHBondContact O-SG 3.06Å
180	R	91.4	Very high	84.1	Confident	128 Å²	128	49.9 Å²	49.9	48%	0.483	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-37.3	174.6	-74.5	168.6	-174.8	147.2	0.8	113	Y69 R80 M176 D177	Y69-R180 HydrophobicContact CE2-CG 3.74Å; R80-R180 PolarHBondContact NH2-O 3.19Å; R80-R180 VanDerWaalsContact NH2-O 3.13Å; M176-R180 VanDerWaalsContact O-CG 3.25Å; M176-R180 WeakPolarHBondContact O-CG 3.42Å; M176-R180 PolarHBondContact O-N 3.32Å; D177-R180 PolarHBondContact O-N 2.82Å; D177-R180 VanDerWaalsContact O-N 3.16Å; D177-R180 IonicContact OD1-NH1 2.98Å; D177-R180 PolarHBondContact OD1-NH1 3.31Å
181	E	92.8	Very high	83.5	Confident	119 Å²	119	57.2 Å²	57.2	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-73.9	-44.5	178.1	-67.9	-60.6	142.3	0	0	111.4	R80 Y83 D177 S178 Q179	R80-E181 VanDerWaalsContact CD-O 3.25Å; R80-E181 WeakPolarHBondContact CD-O 3.37Å; R80-E181 PolarHBondContact NE-O 2.94Å; Y83-E181 WeakPolarHBondContact CD2-O 3.25Å; Y83-E181 HydrophobicContact CE2-CB 3.99Å; D177-E181 WeakPolarHBondContact O-CG 3.14Å; D177-E181 PolarHBondContact O-N 3.21Å; S178-E181 PolarHBondContact O-N 3.37Å; Q179-E181 VanDerWaalsContact C-N 3.34Å; Q179-E181 PolarHBondContact O-N 3.19Å
182	S	94.7	Very high	82.4	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-82.6	-21.4	-175.1	64.6	0	0	0	0	114.6	R80 Y83 D119 C121 S178	R80-S182 WeakPolarHBondContact CB-O 3.4Å; R80-S182 PolarHBondContact N-O 3.17Å; Y83-S182 VanDerWaalsContact CE1-CB 3.45Å; D119-S182 VanDerWaalsContact O-CB 3.25Å; D119-S182 WeakPolarHBondContact O-CB 3.42Å; C121-S182 WeakPolarHBondContact CB-O 3.44Å; S178-S182 VanDerWaalsContact O-CB 3.3Å; S178-S182 WeakPolarHBondContact O-CB 3.48Å; S178-S182 PolarHBondContact O-N 2.95Å; S178-S182 PolarHBondContact O-OG 3.08Å
183	C	93.6	Very high	80.9	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	161.2	178.9	-60.7	0	0	0	0	113.3	Y69 P77 V78 R80 C121 Q179	Y69-C183 HydrophobicContact CE1-CB 3.68Å; P77-C183 HydrophobicContact CB-CB 3.87Å; V78-C183 CarbonylContact O-C 3.48Å; V78-C183 VanDerWaalsContact O-CA 3.31Å; V78-C183 WeakPolarHBondContact O-CA 3.49Å; R80-C183 PolarHBondContact NH2-O 2.83Å; R80-C183 VanDerWaalsContact NH2-O 3.08Å; C121-C183 WeakPolarHBondContact CA-SG 3.06Å; C121-C183 HydrophobicContact CB-CB 4.11Å; C121-C183 WeakPolarHBondContact CB-SG 3.45Å; C121-C183 WeakPolarHBondContact SG-CA 3.33Å; C121-C183 WeakPolarHBondContact SG-CB 3.25Å; C121-C183 CovalentContact SG-SG 2.03Å; C121-C183 PolarHBondContact SG-SG 3.09Å; Q179-C183 WeakPolarHBondContact O-CA 3.31Å; Q179-C183 WeakPolarHBondContact O-CB 3.36Å; Q179-C183 PolarHBondContact O-N 3.26Å; Q179-C183 PolarHBondContact O-SG 3.06Å
184	V	92.6	Very high	80.8	Confident	3 Å²	3	73 Å²	73	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.8	163.6	-67.6	0	0	0	0	110.3	V78 R80 M189	V78-V184 HydrophobicContact CG2-CG2 3.55Å; V78-V184 PolarHBondContact N-O 3.38Å; V78-V184 VanDerWaalsContact N-O 3.07Å; V78-V184 PolarHBondContact O-N 3.47Å; R80-V184 HydrophobicContact CB-CG1 3.84Å; R80-V184 HydrophobicContact CG-CG1 3.77Å; R80-V184 VanDerWaalsContact CZ-CG1 3.42Å; V184-M189 HydrophobicContact CB-CG 4.13Å; V184-M189 HydrophobicContact CG2-CG 3.63Å; V184-M189 HydrophobicContact CG2-SD 3.74Å
185	C	89.2	Confident	80.5	Confident	9 Å²	9	75.2 Å²	75.2	6%	0.061	34%	0.341	C	S	.	.			trans	-94.4	149.6	171.6	-63.8	0	0	0	0	110.8	C71 Y187 E188 M189	C71-C185 WeakPolarHBondContact CA-SG 3.48Å; C71-C185 HydrophobicContact CB-CB 3.69Å; C71-C185 WeakPolarHBondContact CB-SG 3.37Å; C71-C185 WeakPolarHBondContact SG-CA 3.39Å; C71-C185 WeakPolarHBondContact SG-CB 3.08Å; C71-C185 CovalentContact SG-SG 2.04Å; C71-C185 PolarHBondContact SG-SG 2.97Å; C185-Y187 VanDerWaalsContact C-N 3.26Å; C185-Y187 PolarHBondContact O-N 3.17Å; C185-E188 HydrophobicContact CB-CG 4.32Å; C185-E188 PolarHBondContact N-OE2 3.39Å; C185-E188 VanDerWaalsContact N-OE2 3.17Å; C185-E188 WeakPolarHBondContact O-CB 3.33Å; C185-E188 PolarHBondContact O-N 3.13Å; C185-M189 PolarHBondContact O-N 3.31Å
186	Q	79.1	Confident	80	Confident	75 Å²	75	78.9 Å²	78.9	35%	0.35	36%	0.359	S	S	.	.	H	α-helix	trans	-58.5	-37.2	-172.2	-72.9	-167.3	16.3	0	0	113.3	Y75 E188 M189 K190	Y75-Q186 HydrophobicContact CG-CG 4.32Å; Q186-E188 VanDerWaalsContact C-N 3.28Å; Q186-E188 PolarHBondContact O-N 3.32Å; Q186-M189 PolarHBondContact O-N 3.33Å; Q186-K190 PolarHBondContact O-N 3.4Å
187	Y	73	Confident	79.4	Confident	144 Å²	144	80.9 Å²	80.9	57%	0.565	37%	0.366	S	S	*	.	H	α-helix	trans	-63	-33.6	175.7	177.9	-103.9	0	0	0	113.2	D73 C185 K190 R191	D73-Y187 PolarHBondContact OD2-N 3.27Å; C185-Y187 VanDerWaalsContact C-N 3.26Å; C185-Y187 PolarHBondContact O-N 3.17Å; Y187-K190 PolarHBondContact O-N 3.49Å; Y187-R191 HydrophobicContact CE1-CG 4.48Å; Y187-R191 PolarHBondContact O-N 3.42Å
188	E	70.4	Confident	78.8	Confident	79 Å²	79	82.9 Å²	82.9	37%	0.369	37%	0.373	S	S	.	.	H	α-helix	trans	-70.4	-42.4	177.8	-61	174.6	159.4	0	0	110.6	C185 Q186 K190 R191 E192	C185-E188 HydrophobicContact CB-CG 4.32Å; C185-E188 PolarHBondContact N-OE2 3.39Å; C185-E188 VanDerWaalsContact N-OE2 3.17Å; C185-E188 WeakPolarHBondContact O-CB 3.33Å; C185-E188 PolarHBondContact O-N 3.13Å; Q186-E188 VanDerWaalsContact C-N 3.28Å; Q186-E188 PolarHBondContact O-N 3.32Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.44Å; E188-R191 PolarHBondContact O-N 3.47Å; E188-R191 VanDerWaalsContact O-N 3.08Å; E188-E192 PolarHBondContact O-N 3.18Å
189	M	65.4	Low	77.9	Confident	64 Å²	64	86.9 Å²	86.9	32%	0.315	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-37.2	174.5	-70.9	-145.3	68	0	0	113.2	V78 P81 V184 C185 Q186 R191 E192 L193	V78-M189 HydrophobicContact CG2-SD 4.42Å; P81-M189 HydrophobicContact CG-CE 4.01Å; V184-M189 HydrophobicContact CB-CG 4.13Å; V184-M189 HydrophobicContact CG2-CG 3.63Å; V184-M189 HydrophobicContact CG2-SD 3.74Å; C185-M189 PolarHBondContact O-N 3.31Å; Q186-M189 PolarHBondContact O-N 3.33Å; M189-R191 VanDerWaalsContact C-N 3.27Å; M189-R191 PolarHBondContact O-N 3.08Å; M189-E192 PolarHBondContact O-N 3.43Å; M189-L193 PolarHBondContact O-N 3.41Å
190	K	61.1	Low	76.8	Confident	154 Å²	154	93.1 Å²	93.1	67%	0.67	42%	0.415	S	S	*	.	H	α-helix	trans	-72.1	-16.5	177.4	-73.7	-177	-177.9	176.7	0	114.2	Q186 Y187 E188	Q186-K190 PolarHBondContact O-N 3.4Å; Y187-K190 PolarHBondContact O-N 3.49Å; E188-K190 VanDerWaalsContact C-N 3.29Å; E188-K190 PolarHBondContact O-N 3.44Å
191	R	61.6	Low	75.6	Confident	183 Å²	183	90.4 Å²	90.4	69%	0.691	41%	0.409	S	S	*	.	H	α-helix	trans	-90	-20	176.1	-82.1	-179.8	62.4	-154.6	-1.6	113.2	Y187 E188 M189	Y187-R191 HydrophobicContact CE1-CG 4.48Å; Y187-R191 PolarHBondContact O-N 3.42Å; E188-R191 PolarHBondContact O-N 3.47Å; E188-R191 VanDerWaalsContact O-N 3.08Å; M189-R191 VanDerWaalsContact C-N 3.27Å; M189-R191 PolarHBondContact O-N 3.08Å
192	E	57.4	Low	74.2	Confident	149 Å²	149	88 Å²	88	70%	0.696	40%	0.397	S	S	*	.	H	α-helix	trans	-95.5	-6.6	-179.3	-66.7	-175.4	172.1	0	0	113.5	E188 M189	E188-E192 PolarHBondContact O-N 3.18Å; M189-E192 PolarHBondContact O-N 3.43Å
193	L	52.4	Low	72.3	Confident	193 Å²	193	95.7 Å²	95.7	100%	1.01	43%	0.431	S	S	*	.			trans	-100.8	0	172.5	-96	137.6	0	0	0	110.9	M189	M189-L193 PolarHBondContact O-N 3.41Å

Retrieved 193 of 193 residues in 240 ms (Link to these results)

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