A0A087WZM2_HUMAN Loading...

Ribonuclease T2

Ribonuclease that plays an essential role in innate immune response by recognizing and degrading RNAs from microbial pathogens that are subsequently sensed by TLR8. Cleaves preferentially single-stranded RNA molecules between purine and uridine residues, which critically contributes to the supply of catabolic uridine and the generation of purine-2',3'-cyclophosphate-terminated oligoribonucleotides. In turn, RNase T2 degradation products promote the RNA-dependent activation of TLR8. In plasmacytoid dendritic cells, it cooperates with PLD3 or PLD4 5'->3' exonucleases to process RNA fragments and release 2',3'-cyclic guanosine monophosphate (2',3'-cGMP), a potent stimulatory ligand for TLR7. Also plays a key role in degradation of mitochondrial RNA and processing of non-coding RNA imported from the cytosol into mitochondria. Participates as well in degradation of mitochondrion-associated cytosolic rRNAs.

AlphaFold DB , UniProt , Accession A0A087WZM2, Species HUMAN (Homo sapiens, Human), Gene RNASET2, Length 218 aa.

Structure Viewer

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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	26.1	Very low	29.1	Very low	245 Å²	245	117.5 Å²	117.5	100%	1.207	63%	0.631	S	S	*	*				0	115.3	0	-70.2	165.6	179.6	0	0	107.1
2	R	22.2	Very low	29.4	Very low	244 Å²	244	108.8 Å²	108.8	92%	0.921	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-86.3	130.4	-176.6	-72.2	179.1	174.9	-174.3	-2	108.9
3	P	23.9	Very low	30.1	Very low	124 Å²	124	102.1 Å²	102.1	81%	0.805	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-70.2	135.1	173.2	28.4	-30.5	0	0	0	109.3	A5	P3-A5 PolarHBondContact O-N 2.52Å
4	A	24.4	Very low	30.8	Very low	95 Å²	95	96.4 Å²	96.4	79%	0.785	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-62.2	122.6	175.4	0	0	0	0	0	109.2	L6	A4-L6 PolarHBondContact O-N 3.39Å
5	A	26.4	Very low	31.4	Very low	87 Å²	87	92.8 Å²	92.8	72%	0.719	51%	0.509	S	S	*	.			trans	-64.5	99.4	176	0	0	0	0	0	109.3	P3 R7	P3-A5 PolarHBondContact O-N 2.52Å; A5-R7 VanDerWaalsContact C-N 3.33Å; A5-R7 PolarHBondContact O-N 3.38Å
6	L	31	Very low	32.2	Very low	140 Å²	140	87.9 Å²	87.9	73%	0.733	48%	0.482	S	S	*	.			trans	-68.4	92.3	170.1	-144.2	84.2	0	0	0	107.3	A4 G8	A4-L6 PolarHBondContact O-N 3.39Å; L6-G8 PolarHBondContact O-N 3.32Å
7	R	32.5	Very low	32.6	Very low	224 Å²	224	86.1 Å²	86.1	85%	0.845	48%	0.481	S	S	*	.			trans	-75	55.6	176.4	-69.3	-174.2	173.1	-156.5	1.1	111.4	A5	A5-R7 VanDerWaalsContact C-N 3.33Å; A5-R7 PolarHBondContact O-N 3.38Å
8	G	32.7	Very low	33.4	Very low	21 Å²	21	83.2 Å²	83.2	22%	0.216	46%	0.464	C	S	.	.			trans	-138.5	30.3	-177.2	0	0	0	0	0	113.2	L6	L6-G8 PolarHBondContact O-N 3.32Å
9	A	29.7	Very low	33.8	Very low	41 Å²	41	86.7 Å²	86.7	34%	0.339	48%	0.481	S	S	.	.			trans	-73	130	179.8	0	0	0	0	0	110.3	L11 N110	A9-L11 PolarHBondContact O-N 2.9Å; A9-L11 VanDerWaalsContact O-N 3.14Å; A9-N110 WeakPolarHBondContact CA-OD1 3.44Å; A9-N110 VanDerWaalsContact CB-ND2 3.35Å; A9-N110 WeakPolarHBondContact CB-ND2 3.36Å; A9-N110 WeakPolarHBondContact CB-OD1 3.48Å
10	L	32.8	Very low	34.1	Very low	10 Å²	10	85.8 Å²	85.8	5%	0.052	48%	0.48	C	S	.	.			trans	-49.4	120.9	147	-97.6	153.6	0	0	0	105.8	G12 L113 F130 I158 I161 Y210	L10-G12 PolarHBondContact O-N 2.91Å; L10-L113 HydrophobicContact CB-CD1 4.25Å; L10-L113 HydrophobicContact CD1-CD1 3.43Å; L10-L113 VanDerWaalsContact CD1-CD1 3.43Å; L10-L113 HydrophobicContact CG-CD1 4.46Å; L10-F130 HydrophobicContact CD1-CE1 3.75Å; L10-I158 HydrophobicContact CD1-CD1 4.44Å; L10-I158 HydrophobicContact CD2-CD1 3.93Å; L10-I158 HydrophobicContact CD2-CG1 3.91Å; L10-I158 HydrophobicContact CD2-CG2 3.96Å; L10-I161 HydrophobicContact CB-CD1 4.49Å; L10-I161 HydrophobicContact CD1-CD1 4Å; L10-I161 HydrophobicContact CD2-CD1 4.06Å; L10-I161 HydrophobicContact CG-CD1 4.41Å; L10-Y210 HydrophobicContact CD1-CD1 4.25Å; L10-Y210 HydrophobicContact CD1-CD2 4.03Å; L10-Y210 HydrophobicContact CD1-CE1 3.64Å; L10-Y210 HydrophobicContact CD1-CE2 3.47Å; L10-Y210 VanDerWaalsContact CD1-CE2 3.47Å; L10-Y210 HydrophobicContact CD1-CG 4.43Å; L10-Y210 WeakPolarHBondContact CD1-OH 3.22Å; L10-Y210 HydrophobicContact CD2-CE2 4.21Å; L10-Y210 HydrophobicContact CG-CD2 4.13Å; L10-Y210 HydrophobicContact CG-CE1 4.45Å; L10-Y210 HydrophobicContact CG-CE2 3.4Å; L10-Y210 VanDerWaalsContact CG-CE2 3.4Å
11	L	38.8	Very low	34.3	Very low	61 Å²	61	89.6 Å²	89.6	32%	0.319	50%	0.499	S	S	.	.			trans	-68.2	93.1	172.1	-75.3	138	0	0	0	106.3	A9 C13 V62	A9-L11 PolarHBondContact O-N 2.9Å; A9-L11 VanDerWaalsContact O-N 3.14Å; L11-C13 PolarHBondContact O-N 3.49Å; L11-V62 HydrophobicContact CD1-CB 4.12Å; L11-V62 HydrophobicContact CD1-CG1 4.31Å; L11-V62 HydrophobicContact CD1-CG2 3.26Å; L11-V62 HydrophobicContact CD2-CG2 3.98Å; L11-V62 HydrophobicContact CG-CG2 4.25Å
12	G	32.8	Very low	34.6	Very low	14 Å²	14	81.2 Å²	81.2	14%	0.144	48%	0.475	C	S	.	.			trans	-61.3	82.8	146.9	0	0	0	0	0	105.9	L10 L14	L10-G12 PolarHBondContact O-N 2.91Å; G12-L14 PolarHBondContact O-N 3.09Å
13	C	38.3	Very low	35.4	Very low	21 Å²	21	73.7 Å²	73.7	14%	0.142	47%	0.473	C	S	.	.			trans	-69.3	94.1	162.8	-133.1	0	0	0	0	104	L11 C15 Q160	L11-C13 PolarHBondContact O-N 3.49Å; C13-C15 PolarHBondContact O-N 2.85Å; C13-Q160 HydrophobicContact CB-CG 4.39Å
14	L	39.2	Very low	35.8	Very low	23 Å²	23	72.8 Å²	72.8	12%	0.12	48%	0.476	C	S	.	.			trans	-66.3	73	160	-90.9	133.3	0	0	0	107	G12 L16 L103 L107 L165	G12-L14 PolarHBondContact O-N 3.09Å; L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.33Å; L14-L103 HydrophobicContact CD1-CB 4.5Å; L14-L103 HydrophobicContact CD2-CB 4.23Å; L14-L107 HydrophobicContact CD1-CD1 3.63Å; L14-L107 HydrophobicContact CD2-CD1 3.56Å; L14-L107 HydrophobicContact CG-CD1 4.07Å; L14-L165 HydrophobicContact CD2-CD1 3.72Å
15	C	40.5	Very low	36.4	Very low	42 Å²	42	75.3 Å²	75.3	28%	0.284	48%	0.477	S	S	.	.			trans	-68.1	100.1	163.2	-84.8	0	0	0	0	105.7	C13 A17	C13-C15 PolarHBondContact O-N 2.85Å; C15-A17 HydrophobicContact CB-CB 4.44Å; C15-A17 PolarHBondContact O-N 3.34Å
16	L	44.3	Very low	36.7	Very low	14 Å²	14	80.9 Å²	80.9	7%	0.073	49%	0.485	C	S	.	.			trans	-65.4	66.4	157.9	-80.1	155.6	0	0	0	107.8	L14 L18 L90 Y96 S100 L103 L165 Q170	L14-L16 VanDerWaalsContact C-N 3.31Å; L14-L16 PolarHBondContact O-N 3.33Å; L16-L18 PolarHBondContact O-N 2.93Å; L16-L90 HydrophobicContact CD2-CD1 4.42Å; L16-Y96 HydrophobicContact CB-CE2 3.99Å; L16-Y96 HydrophobicContact CD1-CD2 4.49Å; L16-Y96 HydrophobicContact CD1-CE2 4.14Å; L16-S100 WeakPolarHBondContact CD1-OG 3.26Å; L16-L103 HydrophobicContact CD1-CD1 4.19Å; L16-L103 HydrophobicContact CD2-CD1 4.39Å; L16-L165 HydrophobicContact CD2-CD1 4.05Å; L16-Q170 HydrophobicContact CD2-CG 4.23Å
17	A	39.4	Very low	37.1	Very low	58 Å²	58	85.4 Å²	85.4	48%	0.479	49%	0.492	S	S	.	.			trans	-78.5	80.1	174.6	0	0	0	0	0	107.7	C15 L19	C15-A17 HydrophobicContact CB-CB 4.44Å; C15-A17 PolarHBondContact O-N 3.34Å; A17-L19 PolarHBondContact O-N 3.44Å
18	L	46	Very low	37.2	Very low	33 Å²	33	83 Å²	83	17%	0.173	50%	0.496	C	S	.	.			trans	-73.4	106.5	167.7	-80	160.8	0	0	0	107.6	L16 C20 A84 V87 L90 K167	L16-L18 PolarHBondContact O-N 2.93Å; L18-C20 PolarHBondContact O-N 3.4Å; L18-A84 VanDerWaalsContact CD1-CA 3.47Å; L18-A84 HydrophobicContact CD1-CB 3.59Å; L18-V87 HydrophobicContact CD1-CG2 4.19Å; L18-L90 HydrophobicContact CD1-CD1 4Å; L18-K167 HydrophobicContact CD2-CB 4.04Å; L18-K167 HydrophobicContact CD2-CD 4Å; L18-K167 HydrophobicContact CD2-CG 3.65Å
19	L	40.4	Very low	37.3	Very low	150 Å²	150	91.9 Å²	91.9	79%	0.785	52%	0.522	S	S	*	.			trans	-55.8	108.8	179.9	-72.5	165.6	0	0	0	110.1	A17 L21	A17-L19 PolarHBondContact O-N 3.44Å; L19-L21 PolarHBondContact O-N 2.79Å
20	C	40.7	Very low	37.8	Very low	68 Å²	68	95.6 Å²	95.6	46%	0.459	54%	0.537	S	S	.	.			trans	-76.6	101.3	172.5	-105	0	0	0	0	109.5	L18 C83	L18-C20 PolarHBondContact O-N 3.4Å; C20-C83 HydrophobicContact CB-CB 4.15Å; C20-C83 WeakPolarHBondContact CB-SG 3.4Å; C20-C83 WeakPolarHBondContact SG-CB 3.46Å; C20-C83 CovalentContact SG-SG 2.03Å; C20-C83 PolarHBondContact SG-SG 2.92Å
21	L	39.3	Very low	38	Very low	166 Å²	166	101.4 Å²	101.4	87%	0.869	57%	0.567	S	S	*	*			trans	-95.1	96.7	159.2	-71.2	174.5	0	0	0	108.4	L19	L19-L21 PolarHBondContact O-N 2.79Å
22	G	32.2	Very low	37.9	Very low	69 Å²	69	107 Å²	107	71%	0.711	59%	0.591	S	S	*	*			trans	153.5	102.1	167.6	0	0	0	0	0	114.5
23	G	37.3	Very low	38.4	Very low	86 Å²	86	112.8 Å²	112.8	89%	0.887	62%	0.615	S	S	*	*			trans	-76.4	143	162.8	0	0	0	0	0	110.7
24	A	33	Very low	38.4	Very low	105 Å²	105	122.6 Å²	122.6	87%	0.868	65%	0.649	S	S	*	*			trans	-125.8	98.9	168.9	0	0	0	0	0	109.1
25	D	37.2	Very low	38.5	Very low	149 Å²	149	129.9 Å²	129.9	80%	0.797	68%	0.68	S	S	*	*			trans	-88.1	117.9	159.1	-179.3	16.8	0	0	0	107.9
26	K	32.9	Very low	38.1	Very low	204 Å²	204	136.6 Å²	136.6	89%	0.887	70%	0.704	S	S	*	*			trans	-143.5	99.7	161	-78.4	-167.7	-179.7	174.8	0	109.7
27	R	39.5	Very low	37.5	Very low	234 Å²	234	142.2 Å²	142.2	88%	0.883	73%	0.734	S	S	*	*			trans	-68.1	123.9	163.5	-155.9	178.4	-164.2	-174	4.8	109.8
28	L	34.3	Very low	37.2	Very low	175 Å²	175	145.7 Å²	145.7	92%	0.916	74%	0.743	S	S	*	*			trans	-151.2	144.3	157.7	-110.2	150.4	0	0	0	109.8
29	R	35.6	Very low	36.4	Very low	207 Å²	207	150.1 Å²	150.1	78%	0.781	76%	0.764	S	S	*	*			trans	-118.9	152.8	-155.4	162.6	-178.1	153.7	-150.2	-14.9	109.8
30	D	38.6	Very low	35.9	Very low	119 Å²	119	147.3 Å²	147.3	64%	0.636	75%	0.753	S	S	*	*			trans	86.4	104.6	158.4	-74.3	-8.1	0	0	0	121.4
31	N	37.3	Very low	35.7	Very low	131 Å²	131	149.7 Å²	149.7	70%	0.701	76%	0.757	S	S	*	*				97.8	89.1	109.6	-149.8	28.8	0	0	0	118.5
32	H	38.3	Very low	35.8	Very low	178 Å²	178	148.7 Å²	148.7	82%	0.824	75%	0.748	S	S	*	*			trans	-147	130.7	139	-80.7	-65.2	0	0	0	110.7	W34	H32-W34 PolarHBondContact O-N 2.89Å
33	E	42.4	Very low	36.4	Very low	136 Å²	136	147 Å²	147	64%	0.636	72%	0.72	S	S	*	*			trans	-55.2	113.5	-178.7	-104.6	180	134.3	0	0	113.5	K35	E33-K35 WeakPolarHBondContact OE1-CE 3.19Å; E33-K35 IonicContact OE1-NZ 2.63Å; E33-K35 PolarHBondContact OE1-NZ 3.46Å
34	W	38.4	Very low	37.1	Very low	227 Å²	227	145.7 Å²	145.7	86%	0.86	70%	0.696	S	S	*	*			trans	-117.9	98.8	154.9	-67.2	96.7	0	0	0	107.7	H32 K36	H32-W34 PolarHBondContact O-N 2.89Å; W34-K36 PolarHBondContact O-N 3.26Å; W34-K36 VanDerWaalsContact O-N 3.14Å
35	K	41.2	Very low	38	Very low	177 Å²	177	146 Å²	146	77%	0.77	68%	0.68	S	S	*	*	S	Bend	trans	-74.7	4.9	-173.1	-93.1	172.1	166.5	154.6	0	115.6	E33	E33-K35 WeakPolarHBondContact OE1-CE 3.19Å; E33-K35 IonicContact OE1-NZ 2.63Å; E33-K35 PolarHBondContact OE1-NZ 3.46Å
36	K	31.3	Very low	38.8	Very low	183 Å²	183	143.2 Å²	143.2	80%	0.796	67%	0.668	S	S	*	*			trans	-170.5	100.3	164	-119.1	172.8	-176	175.2	0	109.9	W34 I38	W34-K36 PolarHBondContact O-N 3.26Å; W34-K36 VanDerWaalsContact O-N 3.14Å; K36-I38 HydrophobicContact CG-CG1 4.44Å
37	L	32.5	Very low	40	Very low	132 Å²	132	135.8 Å²	135.8	69%	0.691	64%	0.64	S	S	*	*			trans	-92.9	100.6	157.2	-167.8	73.5	0	0	0	105.9	M39	L37-M39 HydrophobicContact CD2-CG 3.33Å; L37-M39 HydrophobicContact CD2-SD 3.67Å; L37-M39 HydrophobicContact CG-CG 3.6Å; L37-M39 PolarHBondContact O-N 3.37Å
38	I	33.4	Very low	41.2	Very low	131 Å²	131	125 Å²	125	67%	0.672	60%	0.6	S	S	*	*			trans	-76.6	81.7	167.9	-54.8	-177	0	0	0	106.2	K36 V40	K36-I38 HydrophobicContact CG-CG1 4.44Å; I38-V40 HydrophobicContact CG2-CG2 3.44Å; I38-V40 VanDerWaalsContact CG2-CG2 3.44Å; I38-V40 PolarHBondContact O-N 3.27Å
39	M	28.3	Very low	43.2	Very low	125 Å²	125	122.1 Å²	122.1	62%	0.616	58%	0.582	S	S	*	*			trans	-74.1	76.6	162.8	-66.4	-160.3	76.6	0	0	108	L37 Q41	L37-M39 HydrophobicContact CD2-CG 3.33Å; L37-M39 HydrophobicContact CD2-SD 3.67Å; L37-M39 HydrophobicContact CG-CG 3.6Å; L37-M39 PolarHBondContact O-N 3.37Å; M39-Q41 PolarHBondContact O-N 2.81Å
40	V	30.8	Very low	45.5	Very low	91 Å²	91	117.8 Å²	117.8	55%	0.552	57%	0.574	S	S	*	*			trans	-70.9	93.5	151.5	-143.8	0	0	0	0	104.1	I38 H42	I38-V40 HydrophobicContact CG2-CG2 3.44Å; I38-V40 VanDerWaalsContact CG2-CG2 3.44Å; I38-V40 PolarHBondContact O-N 3.27Å; V40-H42 WeakPolarHBondContact CG1-CE1 3.41Å; V40-H42 WeakPolarHBondContact CG1-ND1 3.22Å; V40-H42 PolarHBondContact O-N 3.09Å
41	Q	36.3	Very low	47.9	Very low	118 Å²	118	113.3 Å²	113.3	55%	0.551	55%	0.55	S	S	*	.			trans	-69.8	56.4	174.3	-168.2	109.5	10.1	0	0	109.5	M39 W43	M39-Q41 PolarHBondContact O-N 2.81Å; Q41-W43 PolarHBondContact O-N 2.95Å
42	H	41.8	Very low	50.2	Low	145 Å²	145	108.3 Å²	108.3	67%	0.671	52%	0.523	S	S	*	.			trans	-68.6	114.5	153.4	-65.9	121.5	0	0	0	104.8	V40 P44	V40-H42 WeakPolarHBondContact CG1-CE1 3.41Å; V40-H42 WeakPolarHBondContact CG1-ND1 3.22Å; V40-H42 PolarHBondContact O-N 3.09Å; H42-P44 VanDerWaalsContact O-CD 3.23Å; H42-P44 WeakPolarHBondContact O-CD 3.49Å
43	W	44.9	Very low	52.6	Low	34 Å²	34	103.3 Å²	103.3	13%	0.129	51%	0.507	C	S	.	.			trans	-48	112.3	159.2	177.7	-91.9	0	0	0	106.1	Q41 E45 K74 W77 Q93 F97	Q41-W43 PolarHBondContact O-N 2.95Å; W43-E45 PolarHBondContact O-N 2.85Å; W43-K74 HydrophobicContact CB-CB 4.36Å; W43-K74 HydrophobicContact CB-CD 4.06Å; W43-K74 HydrophobicContact CB-CG 4.33Å; W43-K74 HydrophobicContact CD2-CB 3.95Å; W43-K74 HydrophobicContact CD2-CG 4.05Å; W43-K74 HydrophobicContact CE3-CB 4.08Å; W43-K74 HydrophobicContact CE3-CD 4.39Å; W43-K74 HydrophobicContact CE3-CG 3.7Å; W43-K74 HydrophobicContact CG-CB 4.1Å; W43-K74 HydrophobicContact CG-CG 4.36Å; W43-K74 HydrophobicContact CZ3-CG 4.33Å; W43-W77 HydrophobicContact CH2-CB 3.44Å; W43-W77 VanDerWaalsContact CH2-CB 3.44Å; W43-W77 AromaticContact CH2-CD1 3.19Å; W43-W77 HydrophobicContact CH2-CD2 4.13Å; W43-W77 AromaticContact CH2-CG 3.27Å; W43-W77 HydrophobicContact CH2-CG 3.27Å; W43-W77 AromaticContact CH2-NE1 3.89Å; W43-W77 HydrophobicContact CZ2-CB 4.06Å; W43-W77 HydrophobicContact CZ2-CG 4.22Å; W43-W77 HydrophobicContact CZ3-CB 4.19Å; W43-W77 AromaticContact CZ3-CD1 3.38Å; W43-W77 AromaticContact CZ3-CG 3.93Å; W43-W77 HydrophobicContact CZ3-CG 3.93Å; W43-Q93 HydrophobicContact CH2-CG 3.84Å; W43-Q93 VanDerWaalsContact CZ2-CD 3.41Å; W43-Q93 HydrophobicContact CZ2-CG 4.17Å; W43-F97 HydrophobicContact CZ2-CE2 4.15Å
44	P	50	Low	54.6	Low	59 Å²	59	100 Å²	100	38%	0.383	49%	0.491	S	S	.	.			trans	-68.7	116.6	-172.2	15.7	-13.6	0	0	0	106	H42 T46 V47	H42-P44 VanDerWaalsContact O-CD 3.23Å; H42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-T46 HydrophobicContact CB-CG2 4.4Å; P44-T46 WeakPolarHBondContact CB-OG1 3.27Å; P44-T46 PolarHBondContact O-N 3.17Å; P44-V47 HydrophobicContact CB-CG2 4.42Å; P44-V47 HydrophobicContact CG-CG2 3.78Å; P44-V47 PolarHBondContact O-N 2.58Å; P44-V47 VanDerWaalsContact O-N 3.15Å
45	E	52	Low	56.9	Low	112 Å²	112	89.2 Å²	89.2	52%	0.523	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-51.8	-17.4	170.3	-68	-177.2	163.9	0	0	111	W43 V47	W43-E45 PolarHBondContact O-N 2.85Å; E45-V47 PolarHBondContact O-N 2.98Å
46	T	54.8	Low	58.9	Low	89 Å²	89	85.8 Å²	85.8	55%	0.546	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-69.8	-18.8	179.1	77.8	0	0	0	0	115.9	P44 C48 E49	P44-T46 HydrophobicContact CB-CG2 4.4Å; P44-T46 WeakPolarHBondContact CB-OG1 3.27Å; P44-T46 PolarHBondContact O-N 3.17Å; T46-C48 PolarHBondContact O-N 3Å; T46-E49 WeakPolarHBondContact CA-OE1 3.47Å; T46-E49 WeakPolarHBondContact CG2-OE1 3.2Å
47	V	57.9	Low	61.3	Low	49 Å²	49	80 Å²	80	30%	0.297	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-70.8	-24.4	-177.6	-169.9	0	0	0	0	112.1	P44 E45 Q93	P44-V47 HydrophobicContact CB-CG2 4.42Å; P44-V47 HydrophobicContact CG-CG2 3.78Å; P44-V47 PolarHBondContact O-N 2.58Å; P44-V47 VanDerWaalsContact O-N 3.15Å; E45-V47 PolarHBondContact O-N 2.98Å; V47-Q93 VanDerWaalsContact CB-OE1 3.3Å; V47-Q93 HydrophobicContact CG1-CB 3.6Å; V47-Q93 HydrophobicContact CG1-CG 4.28Å
48	C	65.3	Low	63.7	Low	7 Å²	7	78.5 Å²	78.5	5%	0.047	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-131.1	25	-175.5	-67.7	0	0	0	0	112.4	T46 D50 L51 L52 M55	T46-C48 PolarHBondContact O-N 3Å; C48-D50 PolarHBondContact O-N 2.86Å; C48-D50 VanDerWaalsContact O-N 3.15Å; C48-L51 HydrophobicContact CB-CB 4.23Å; C48-L51 HydrophobicContact CB-CD1 4.49Å; C48-L51 CarbonylContact O-C 3.51Å; C48-L51 WeakPolarHBondContact O-CA 3.45Å; C48-L51 PolarHBondContact O-N 3.16Å; C48-L52 WeakPolarHBondContact O-CG 3.48Å; C48-L52 PolarHBondContact O-N 3.26Å; C48-M55 HydrophobicContact CB-SD 3.91Å
49	E	75.2	Confident	66.1	Low	115 Å²	115	73.3 Å²	73.3	54%	0.537	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-47.9	-45.9	-177	-101.3	174.5	-147.5	0	0	112.7	T46 L51 L52	T46-E49 WeakPolarHBondContact CA-OE1 3.47Å; T46-E49 WeakPolarHBondContact CG2-OE1 3.2Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 2.84Å; E49-L52 HydrophobicContact CG-CD1 4.21Å; E49-L52 WeakPolarHBondContact O-CB 3.46Å; E49-L52 PolarHBondContact O-N 3.21Å
50	D	85.4	Confident	68.7	Low	116 Å²	116	69 Å²	69	62%	0.62	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-62.4	-32.4	177.4	-52.2	-32	0	0	0	113.1	C48 K94	C48-D50 PolarHBondContact O-N 2.86Å; C48-D50 VanDerWaalsContact O-N 3.15Å; D50-K94 IonicContact OD2-NZ 3.69Å; D50-K94 PolarHBondContact OD2-NZ 2.87Å
51	L	87.3	Confident	71	Confident	24 Å²	24	65.7 Å²	65.7	13%	0.126	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-90.3	-16.9	-177.4	-58	178.8	0	0	0	112.4	C48 E49 P53 E54 M55 K94 F97 L101	C48-L51 HydrophobicContact CB-CB 4.23Å; C48-L51 HydrophobicContact CB-CD1 4.49Å; C48-L51 CarbonylContact O-C 3.51Å; C48-L51 WeakPolarHBondContact O-CA 3.45Å; C48-L51 PolarHBondContact O-N 3.16Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 2.84Å; L51-P53 VanDerWaalsContact C-N 3.32Å; L51-E54 PolarHBondContact O-N 3.16Å; L51-M55 HydrophobicContact CB-CG 4.12Å; L51-M55 HydrophobicContact CB-SD 4.12Å; L51-M55 WeakPolarHBondContact O-CG 3.44Å; L51-M55 PolarHBondContact O-N 3.18Å; L51-K94 HydrophobicContact CD1-CG 4.38Å; L51-F97 HydrophobicContact CD1-CB 4.04Å; L51-L101 HydrophobicContact CB-CD1 4.2Å; L51-L101 HydrophobicContact CD2-CD1 4.29Å
52	L	85.9	Confident	72.8	Confident	27 Å²	27	64.2 Å²	64.2	14%	0.141	34%	0.336	C	S	.	.	H	α-helix	trans	-51.7	-40.9	-175.8	-70.8	178.8	0	0	0	114	C48 E49 E54 R56 W73	C48-L52 WeakPolarHBondContact O-CG 3.48Å; C48-L52 PolarHBondContact O-N 3.26Å; E49-L52 HydrophobicContact CG-CD1 4.21Å; E49-L52 WeakPolarHBondContact O-CB 3.46Å; E49-L52 PolarHBondContact O-N 3.21Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3Å; L52-R56 WeakPolarHBondContact O-CB 3.47Å; L52-R56 VanDerWaalsContact O-CG 3.26Å; L52-R56 WeakPolarHBondContact O-CG 3.28Å; L52-R56 PolarHBondContact O-N 3.37Å; L52-R56 PolarHBondContact O-NE 3.26Å; L52-W73 HydrophobicContact CD2-CE3 4.39Å; L52-W73 HydrophobicContact CD2-CH2 4.39Å; L52-W73 HydrophobicContact CD2-CZ3 3.67Å
53	P	88.3	Confident	74.2	Confident	73 Å²	73	61.1 Å²	61.1	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-44.1	175.7	-23.4	34.8	0	0	0	112.8	L51 A57	L51-P53 VanDerWaalsContact C-N 3.32Å; P53-A57 PolarHBondContact O-N 3.22Å
54	E	85.9	Confident	75.3	Confident	65 Å²	65	62.4 Å²	62.4	30%	0.304	33%	0.331	S	S	.	.	H	α-helix	trans	-73.5	-42.9	179.7	-66.5	-160.3	-100.9	0	0	111.8	L51 L52 R56 A57 Y58 L101 R105	L51-E54 PolarHBondContact O-N 3.16Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3Å; E54-R56 VanDerWaalsContact C-N 3.26Å; E54-R56 PolarHBondContact O-N 2.99Å; E54-A57 PolarHBondContact O-N 3.42Å; E54-Y58 HydrophobicContact CB-CD2 4.29Å; E54-Y58 PolarHBondContact O-N 3.13Å; E54-L101 HydrophobicContact CB-CD1 3.86Å; E54-L101 HydrophobicContact CB-CD2 4.23Å; E54-R105 IonicContact OE1-NH1 2.79Å; E54-R105 PolarHBondContact OE1-NH1 3.35Å; E54-R105 IonicContact OE2-CZ 3.27Å; E54-R105 IonicContact OE2-NH1 2.75Å; E54-R105 PolarHBondContact OE2-NH1 3.15Å
55	M	85.4	Confident	75.9	Confident	2 Å²	2	66 Å²	66	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-58	-40.6	175.1	-64.7	-177.7	78.2	0	0	111.3	C48 L51 A57 W59 W73 F97 L101	C48-M55 HydrophobicContact CB-SD 3.91Å; L51-M55 HydrophobicContact CB-CG 4.12Å; L51-M55 HydrophobicContact CB-SD 4.12Å; L51-M55 WeakPolarHBondContact O-CG 3.44Å; L51-M55 PolarHBondContact O-N 3.18Å; M55-A57 VanDerWaalsContact C-N 3.27Å; M55-A57 PolarHBondContact O-N 2.89Å; M55-W59 CarbonylContact O-C 3.6Å; M55-W59 VanDerWaalsContact O-CA 3.3Å; M55-W59 WeakPolarHBondContact O-CA 3.45Å; M55-W59 PolarHBondContact O-N 2.84Å; M55-W73 HydrophobicContact CB-CD2 4.44Å; M55-W73 HydrophobicContact CB-CH2 3.84Å; M55-W73 HydrophobicContact CB-CZ2 3.51Å; M55-W73 HydrophobicContact CB-CZ3 4.43Å; M55-W73 HydrophobicContact CE-CB 3.84Å; M55-W73 HydrophobicContact CE-CD2 3.43Å; M55-W73 VanDerWaalsContact CE-CD2 3.43Å; M55-W73 HydrophobicContact CE-CE3 3.92Å; M55-W73 HydrophobicContact CE-CG 3.36Å; M55-W73 HydrophobicContact SD-CD2 4.43Å; M55-W73 HydrophobicContact SD-CE3 4.45Å; M55-F97 HydrophobicContact CE-CB 4.27Å; M55-F97 HydrophobicContact CE-CD1 3.4Å; M55-F97 HydrophobicContact CE-CD2 4.28Å; M55-F97 HydrophobicContact CE-CE1 3.69Å; M55-F97 HydrophobicContact CE-CG 3.73Å; M55-F97 HydrophobicContact CE-CZ 4.27Å; M55-F97 HydrophobicContact SD-CB 4.42Å; M55-F97 HydrophobicContact SD-CG 4.4Å; M55-L101 HydrophobicContact CG-CD1 3.91Å
56	R	84.6	Confident	76.3	Confident	104 Å²	104	64.8 Å²	64.8	39%	0.392	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-28.8	174.7	-76	-173.6	-62.3	-103.2	1.6	113.6	L52 E54 W73	L52-R56 WeakPolarHBondContact O-CB 3.47Å; L52-R56 VanDerWaalsContact O-CG 3.26Å; L52-R56 WeakPolarHBondContact O-CG 3.28Å; L52-R56 PolarHBondContact O-N 3.37Å; L52-R56 PolarHBondContact O-NE 3.26Å; E54-R56 VanDerWaalsContact C-N 3.26Å; E54-R56 PolarHBondContact O-N 2.99Å; R56-W73 HydrophobicContact CG-CH2 3.86Å; R56-W73 HydrophobicContact CG-CZ2 4.46Å
57	A	81.9	Confident	76.6	Confident	62 Å²	62	66.9 Å²	66.9	51%	0.512	37%	0.366	S	S	.	.	H	α-helix	trans	-86.3	-43.3	-177.1	0	0	0	0	0	112.1	P53 E54 M55	P53-A57 PolarHBondContact O-N 3.22Å; E54-A57 PolarHBondContact O-N 3.42Å; M55-A57 VanDerWaalsContact C-N 3.27Å; M55-A57 PolarHBondContact O-N 2.89Å
58	Y	81.9	Confident	77.1	Confident	101 Å²	101	67.9 Å²	67.9	40%	0.396	37%	0.37	S	S	.	.	H	α-helix	trans	-112.7	-17.5	-168	-57.6	-48.5	0	0	0	114.3	E54 L101 Y104	E54-Y58 HydrophobicContact CB-CD2 4.29Å; E54-Y58 PolarHBondContact O-N 3.13Å; Y58-L101 HydrophobicContact CD2-CD2 4.44Å; Y58-Y104 HydrophobicContact CD1-CD1 4.2Å; Y58-Y104 AromaticContact CD1-CE1 3.38Å; Y58-Y104 HydrophobicContact CD1-CE1 3.38Å; Y58-Y104 HydrophobicContact CD2-CD1 4.45Å; Y58-Y104 HydrophobicContact CD2-CE1 4.39Å; Y58-Y104 HydrophobicContact CE1-CE1 4.06Å; Y58-Y104 AromaticContact CG-CD1 3.94Å; Y58-Y104 HydrophobicContact CG-CD1 3.94Å; Y58-Y104 AromaticContact CG-CE1 3.57Å; Y58-Y104 HydrophobicContact CG-CE1 3.57Å
59	W	84.3	Confident	77.1	Confident	22 Å²	22	72.6 Å²	72.6	8%	0.083	39%	0.386	C	S	.	.	S	Bend	trans	-127.5	52.3	175.3	-151.4	-10.3	0	0	0	113	M55 F72 W73 E76 Y96 F97 S100	M55-W59 CarbonylContact O-C 3.6Å; M55-W59 VanDerWaalsContact O-CA 3.3Å; M55-W59 WeakPolarHBondContact O-CA 3.45Å; M55-W59 PolarHBondContact O-N 2.84Å; W59-F72 AromaticContact CD1-CE1 3.33Å; W59-F72 AromaticContact CD1-CZ 3.78Å; W59-F72 HydrophobicContact CG-CE1 4.23Å; W59-F72 AromaticContact NE1-CE1 3.43Å; W59-F72 AromaticContact NE1-CZ 3.44Å; W59-W73 PolarHBondContact O-NE1 3.27Å; W59-E76 HydrophobicContact CZ2-CB 4.36Å; W59-E76 HydrophobicContact CZ2-CG 4.16Å; W59-Y96 HydrophobicContact CH2-CE1 4.08Å; W59-F97 HydrophobicContact CE3-CD1 4.06Å; W59-F97 HydrophobicContact CH2-CD1 4.31Å; W59-F97 HydrophobicContact CH2-CE1 4.35Å; W59-F97 AromaticContact CZ3-CD1 3.62Å; W59-F97 HydrophobicContact CZ3-CD1 3.62Å; W59-F97 HydrophobicContact CZ3-CE1 4.06Å; W59-S100 WeakPolarHBondContact CZ3-OG 3.29Å
60	P	82.4	Confident	77.1	Confident	35 Å²	35	67.8 Å²	67.8	23%	0.227	37%	0.365	C	S	.	.			trans	-68.1	150.3	178.8	28.8	-33.5	0	0	0	112.4	V62	P60-V62 HydrophobicContact CB-CG1 4.15Å; P60-V62 HydrophobicContact CG-CG1 3.77Å; P60-V62 PolarHBondContact O-N 2.03Å; P60-V62 VanDerWaalsContact O-N 3.11Å
61	D	78.9	Confident	76.9	Confident	21 Å²	21	69 Å²	69	11%	0.112	36%	0.361	C	S	.	.			trans	-72.6	102.2	162.3	-168.3	-6.9	0	0	0	108.6	I63 H64 F72	D61-I63 PolarHBondContact OD1-N 3.42Å; D61-I63 VanDerWaalsContact OD1-N 3.11Å; D61-H64 IonicContact OD1-CG 3.77Å; D61-H64 PolarHBondContact OD1-N 2.76Å; D61-H64 IonicContact OD1-ND1 3.2Å; D61-H64 PolarHBondContact OD1-ND1 2.88Å; D61-H64 IonicContact OD2-CG 3.85Å; D61-H64 IonicContact OD2-ND1 2.76Å; D61-H64 PolarHBondContact OD2-ND1 3.13Å; D61-F72 HydrophobicContact CB-CB 3.76Å; D61-F72 HydrophobicContact CB-CD1 4.08Å; D61-F72 HydrophobicContact CB-CG 3.94Å
62	V	75.4	Confident	76.7	Confident	86 Å²	86	68.4 Å²	68.4	52%	0.521	36%	0.358	S	S	.	.			trans	-103	-4	176.8	-66.1	0	0	0	0	112.2	L11 P60	L11-V62 HydrophobicContact CD1-CB 4.12Å; L11-V62 HydrophobicContact CD1-CG1 4.31Å; L11-V62 HydrophobicContact CD1-CG2 3.26Å; L11-V62 HydrophobicContact CD2-CG2 3.98Å; L11-V62 HydrophobicContact CG-CG2 4.25Å; P60-V62 HydrophobicContact CB-CG1 4.15Å; P60-V62 HydrophobicContact CG-CG1 3.77Å; P60-V62 PolarHBondContact O-N 2.03Å; P60-V62 VanDerWaalsContact O-N 3.11Å
63	I	69.3	Low	76.7	Confident	81 Å²	81	67.7 Å²	67.7	42%	0.415	35%	0.353	S	S	.	.	S	Bend	trans	-98.6	-35.8	-174.2	-51	176	0	0	0	110	D61	D61-I63 PolarHBondContact OD1-N 3.42Å; D61-I63 VanDerWaalsContact OD1-N 3.11Å
64	H	69.1	Low	76.6	Confident	61 Å²	61	66.7 Å²	66.7	28%	0.282	34%	0.341	S	S	.	.			trans	-117	138.2	172.5	-38.8	94.9	0	0	0	110.9	D61 F66 R198	D61-H64 IonicContact OD1-CG 3.77Å; D61-H64 PolarHBondContact OD1-N 2.76Å; D61-H64 IonicContact OD1-ND1 3.2Å; D61-H64 PolarHBondContact OD1-ND1 2.88Å; D61-H64 IonicContact OD2-CG 3.85Å; D61-H64 IonicContact OD2-ND1 2.76Å; D61-H64 PolarHBondContact OD2-ND1 3.13Å; H64-F66 HydrophobicContact CB-CD2 3.2Å; H64-F66 HydrophobicContact CB-CE2 3.36Å; H64-F66 HydrophobicContact CB-CG 4.01Å; H64-F66 HydrophobicContact CB-CZ 4.28Å; H64-F66 AromaticContact CD2-CE2 3.68Å; H64-F66 AromaticContact CG-CD2 3.7Å; H64-F66 AromaticContact CG-CE2 3.46Å; H64-F66 VanDerWaalsContact CG-CE2 3.46Å; H64-F66 PolarHBondContact O-N 2.63Å; H64-R198 PolarHBondContact CE1-NH2 3.41Å; H64-R198 PolarHBondContact NE2-NH2 3.11Å
65	S	62.3	Low	76.5	Confident	134 Å²	134	67.8 Å²	67.8	94%	0.937	35%	0.346	S	S	*	.			trans	-80.7	46.4	170.3	-56.5	0	0	0	0	111.6
66	F	60.9	Low	76.5	Confident	86 Å²	86	68.4 Å²	68.4	38%	0.377	35%	0.349	S	S	.	.			trans	-81	138	176.9	-69.8	-54.6	0	0	0	111.1	H64 N68	H64-F66 HydrophobicContact CB-CD2 3.2Å; H64-F66 HydrophobicContact CB-CE2 3.36Å; H64-F66 HydrophobicContact CB-CG 4.01Å; H64-F66 HydrophobicContact CB-CZ 4.28Å; H64-F66 AromaticContact CD2-CE2 3.68Å; H64-F66 AromaticContact CG-CD2 3.7Å; H64-F66 AromaticContact CG-CE2 3.46Å; H64-F66 VanDerWaalsContact CG-CE2 3.46Å; H64-F66 PolarHBondContact O-N 2.63Å; F66-N68 PolarHBondContact O-N 2.85Å
67	P	60.1	Low	76.6	Confident	133 Å²	133	65 Å²	65	86%	0.864	34%	0.336	S	S	*	.	S	Bend	trans	-66.7	-29.5	174.6	24.2	-30.7	0	0	0	112
68	N	68.3	Low	76.8	Confident	71 Å²	71	66.4 Å²	66.4	38%	0.38	33%	0.332	S	S	.	.			trans	-95.4	99.8	178.2	-170.8	-3	0	0	0	112	F66 S70 R71	F66-N68 PolarHBondContact O-N 2.85Å; N68-S70 VanDerWaalsContact C-N 3.31Å; N68-S70 PolarHBondContact ND2-OG 2.87Å; N68-S70 PolarHBondContact O-N 3.27Å; N68-S70 PolarHBondContact OD1-N 2.77Å; N68-S70 VanDerWaalsContact OD1-N 3.11Å; N68-S70 PolarHBondContact OD1-OG 3.34Å; N68-R71 HydrophobicContact CB-CG 4.41Å; N68-R71 PolarHBondContact O-N 2.03Å
69	R	66.9	Low	76.8	Confident	106 Å²	106	64.8 Å²	64.8	40%	0.4	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.2	-179.7	-68.7	-172.1	-94.9	-169.2	-6.8	114.3	R71 F72 W73	R69-R71 PolarHBondContact O-N 2.86Å; R69-F72 PolarHBondContact O-N 3.23Å; R69-W73 HydrophobicContact CB-CH2 4.32Å
70	S	75.1	Confident	76.8	Confident	14 Å²	14	65.6 Å²	65.6	10%	0.098	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-20.3	179.9	66.7	0	0	0	0	113	N68 F72 W73 K74	N68-S70 VanDerWaalsContact C-N 3.31Å; N68-S70 PolarHBondContact ND2-OG 2.87Å; N68-S70 PolarHBondContact O-N 3.27Å; N68-S70 PolarHBondContact OD1-N 2.77Å; N68-S70 VanDerWaalsContact OD1-N 3.11Å; N68-S70 PolarHBondContact OD1-OG 3.34Å; S70-F72 VanDerWaalsContact C-N 3.3Å; S70-F72 PolarHBondContact O-N 2.75Å; S70-W73 PolarHBondContact O-N 3.01Å; S70-K74 VanDerWaalsContact O-CB 3.29Å; S70-K74 WeakPolarHBondContact O-CB 2.96Å; S70-K74 PolarHBondContact O-N 2.84Å
71	R	81.2	Confident	76.9	Confident	140 Å²	140	63.9 Å²	63.9	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-37.7	175.1	-68.1	-175.7	68.5	-172	0.9	112.6	N68 R69 H75	N68-R71 HydrophobicContact CB-CG 4.41Å; N68-R71 PolarHBondContact O-N 2.03Å; R69-R71 PolarHBondContact O-N 2.86Å; R71-H75 PolarHBondContact O-N 3.27Å
72	F	82.3	Confident	77.3	Confident	13 Å²	13	66.1 Å²	66.1	6%	0.057	34%	0.335	C	S	.	.	H	α-helix	trans	-67.9	-50.6	178.4	170.3	-117.5	0	0	0	110.9	W59 D61 R69 S70 K74 H75 E76	W59-F72 AromaticContact CD1-CE1 3.33Å; W59-F72 AromaticContact CD1-CZ 3.78Å; W59-F72 HydrophobicContact CG-CE1 4.23Å; W59-F72 AromaticContact NE1-CE1 3.43Å; W59-F72 AromaticContact NE1-CZ 3.44Å; D61-F72 HydrophobicContact CB-CB 3.76Å; D61-F72 HydrophobicContact CB-CD1 4.08Å; D61-F72 HydrophobicContact CB-CG 3.94Å; R69-F72 PolarHBondContact O-N 3.23Å; S70-F72 VanDerWaalsContact C-N 3.3Å; S70-F72 PolarHBondContact O-N 2.75Å; F72-K74 VanDerWaalsContact C-N 3.29Å; F72-K74 PolarHBondContact O-N 3.31Å; F72-H75 WeakPolarHBondContact O-CA 3.46Å; F72-H75 VanDerWaalsContact O-CB 3.31Å; F72-H75 WeakPolarHBondContact O-CB 3.27Å; F72-H75 PolarHBondContact O-N 3.19Å; F72-E76 HydrophobicContact CD2-CG 4.18Å; F72-E76 HydrophobicContact CE1-CG 4.33Å; F72-E76 HydrophobicContact CE2-CG 3.71Å; F72-E76 VanDerWaalsContact CE2-OE1 3.25Å; F72-E76 WeakPolarHBondContact CE2-OE1 3.41Å; F72-E76 HydrophobicContact CZ-CG 3.81Å; F72-E76 WeakPolarHBondContact O-CG 3.45Å; F72-E76 PolarHBondContact O-N 2.91Å
73	W	85.6	Confident	77.6	Confident	11 Å²	11	63 Å²	63	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-63.9	-35.3	177.7	-54.1	-40.2	0	0	0	113.1	L52 M55 R56 W59 R69 S70 H75 E76 W77 F97	L52-W73 HydrophobicContact CD2-CE3 4.39Å; L52-W73 HydrophobicContact CD2-CH2 4.39Å; L52-W73 HydrophobicContact CD2-CZ3 3.67Å; M55-W73 HydrophobicContact CB-CD2 4.44Å; M55-W73 HydrophobicContact CB-CH2 3.84Å; M55-W73 HydrophobicContact CB-CZ2 3.51Å; M55-W73 HydrophobicContact CB-CZ3 4.43Å; M55-W73 HydrophobicContact CE-CB 3.84Å; M55-W73 HydrophobicContact CE-CD2 3.43Å; M55-W73 VanDerWaalsContact CE-CD2 3.43Å; M55-W73 HydrophobicContact CE-CE3 3.92Å; M55-W73 HydrophobicContact CE-CG 3.36Å; M55-W73 HydrophobicContact SD-CD2 4.43Å; M55-W73 HydrophobicContact SD-CE3 4.45Å; R56-W73 HydrophobicContact CG-CH2 3.86Å; R56-W73 HydrophobicContact CG-CZ2 4.46Å; W59-W73 PolarHBondContact O-NE1 3.27Å; R69-W73 HydrophobicContact CB-CH2 4.32Å; S70-W73 PolarHBondContact O-N 3.01Å; W73-H75 VanDerWaalsContact C-N 3.32Å; W73-H75 PolarHBondContact O-N 2.97Å; W73-E76 PolarHBondContact O-N 3.28Å; W73-W77 PolarHBondContact O-N 3.08Å; W73-F97 HydrophobicContact CB-CE1 4.15Å; W73-F97 HydrophobicContact CB-CZ 4.07Å; W73-F97 WeakPolarHBondContact O-CZ 3.49Å
74	K	86.4	Confident	78.4	Confident	53 Å²	53	59.1 Å²	59.1	23%	0.23	30%	0.297	C	S	.	.	H	α-helix	trans	-56.5	-48.1	170.1	177.9	-176.7	-178.1	177.4	0	111	W43 S70 F72 W77 E78	W43-K74 HydrophobicContact CB-CB 4.36Å; W43-K74 HydrophobicContact CB-CD 4.06Å; W43-K74 HydrophobicContact CB-CG 4.33Å; W43-K74 HydrophobicContact CD2-CB 3.95Å; W43-K74 HydrophobicContact CD2-CG 4.05Å; W43-K74 HydrophobicContact CE3-CB 4.08Å; W43-K74 HydrophobicContact CE3-CD 4.39Å; W43-K74 HydrophobicContact CE3-CG 3.7Å; W43-K74 HydrophobicContact CG-CB 4.1Å; W43-K74 HydrophobicContact CG-CG 4.36Å; W43-K74 HydrophobicContact CZ3-CG 4.33Å; S70-K74 VanDerWaalsContact O-CB 3.29Å; S70-K74 WeakPolarHBondContact O-CB 2.96Å; S70-K74 PolarHBondContact O-N 2.84Å; F72-K74 VanDerWaalsContact C-N 3.29Å; F72-K74 PolarHBondContact O-N 3.31Å; K74-W77 PolarHBondContact O-N 2.95Å; K74-E78 VanDerWaalsContact CE-CD 3.44Å; K74-E78 WeakPolarHBondContact CE-OE1 3.3Å; K74-E78 HydrophobicContact CG-CG 4.32Å; K74-E78 IonicContact NZ-OE1 3.88Å; K74-E78 WeakPolarHBondContact O-CB 3.41Å; K74-E78 WeakPolarHBondContact O-CG 3.07Å; K74-E78 PolarHBondContact O-N 2.89Å
75	H	84.6	Confident	79.5	Confident	87 Å²	87	57.7 Å²	57.7	40%	0.403	30%	0.296	S	S	.	.	H	α-helix	trans	-59.5	-48.1	177.6	177.2	76.1	0	0	0	111.7	R71 F72 W73 W77 E78 K79	R71-H75 PolarHBondContact O-N 3.27Å; F72-H75 WeakPolarHBondContact O-CA 3.46Å; F72-H75 VanDerWaalsContact O-CB 3.31Å; F72-H75 WeakPolarHBondContact O-CB 3.27Å; F72-H75 PolarHBondContact O-N 3.19Å; W73-H75 VanDerWaalsContact C-N 3.32Å; W73-H75 PolarHBondContact O-N 2.97Å; H75-W77 VanDerWaalsContact C-N 3.32Å; H75-W77 PolarHBondContact O-N 3.37Å; H75-E78 PolarHBondContact O-N 3.41Å; H75-K79 VanDerWaalsContact O-CB 3.28Å; H75-K79 WeakPolarHBondContact O-CB 2.95Å; H75-K79 PolarHBondContact O-N 2.75Å
76	E	84.9	Confident	80.8	Confident	15 Å²	15	57.3 Å²	57.3	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-59.8	-41.1	178.5	-66.3	-54.9	130.9	0	0	112.1	W59 F72 W73 H80 G81	W59-E76 HydrophobicContact CZ2-CB 4.36Å; W59-E76 HydrophobicContact CZ2-CG 4.16Å; F72-E76 HydrophobicContact CD2-CG 4.18Å; F72-E76 HydrophobicContact CE1-CG 4.33Å; F72-E76 HydrophobicContact CE2-CG 3.71Å; F72-E76 VanDerWaalsContact CE2-OE1 3.25Å; F72-E76 WeakPolarHBondContact CE2-OE1 3.41Å; F72-E76 HydrophobicContact CZ-CG 3.81Å; F72-E76 WeakPolarHBondContact O-CG 3.45Å; F72-E76 PolarHBondContact O-N 2.91Å; W73-E76 PolarHBondContact O-N 3.28Å; E76-H80 WeakPolarHBondContact O-CA 3.23Å; E76-H80 VanDerWaalsContact O-CB 3.32Å; E76-H80 WeakPolarHBondContact O-CB 3.32Å; E76-H80 PolarHBondContact O-N 2.97Å; E76-H80 IonicContact OE2-CD2 3.86Å; E76-H80 PolarHBondContact OE2-CD2 3.31Å; E76-G81 PolarHBondContact O-N 2.86Å; E76-G81 VanDerWaalsContact O-N 3.08Å
77	W	86.4	Confident	82.1	Confident	32 Å²	32	53.2 Å²	53.2	12%	0.121	26%	0.261	C	S	.	.	I	π-helix	trans	-66.5	-52.6	174.6	171.2	-97.6	0	0	0	112.4	W43 W73 K74 H75 K79 G81 T82 A85 Q93 Y96 F97	W43-W77 HydrophobicContact CH2-CB 3.44Å; W43-W77 VanDerWaalsContact CH2-CB 3.44Å; W43-W77 AromaticContact CH2-CD1 3.19Å; W43-W77 HydrophobicContact CH2-CD2 4.13Å; W43-W77 AromaticContact CH2-CG 3.27Å; W43-W77 HydrophobicContact CH2-CG 3.27Å; W43-W77 AromaticContact CH2-NE1 3.89Å; W43-W77 HydrophobicContact CZ2-CB 4.06Å; W43-W77 HydrophobicContact CZ2-CG 4.22Å; W43-W77 HydrophobicContact CZ3-CB 4.19Å; W43-W77 AromaticContact CZ3-CD1 3.38Å; W43-W77 AromaticContact CZ3-CG 3.93Å; W43-W77 HydrophobicContact CZ3-CG 3.93Å; W73-W77 PolarHBondContact O-N 3.08Å; K74-W77 PolarHBondContact O-N 2.95Å; H75-W77 VanDerWaalsContact C-N 3.32Å; H75-W77 PolarHBondContact O-N 3.37Å; W77-K79 PolarHBondContact O-N 3.34Å; W77-G81 CarbonylContact O-C 3.54Å; W77-G81 VanDerWaalsContact O-CA 3.31Å; W77-G81 WeakPolarHBondContact O-CA 3.33Å; W77-G81 PolarHBondContact O-N 3Å; W77-T82 HydrophobicContact CZ2-CG2 4.46Å; W77-T82 PolarHBondContact O-N 3.45Å; W77-A85 HydrophobicContact CH2-CB 4.18Å; W77-Q93 HydrophobicContact CD2-CB 4.46Å; W77-Q93 HydrophobicContact CD2-CG 3.44Å; W77-Q93 VanDerWaalsContact CD2-CG 3.44Å; W77-Q93 HydrophobicContact CE3-CB 4.22Å; W77-Q93 HydrophobicContact CE3-CG 3.65Å; W77-Q93 HydrophobicContact CG-CG 4.08Å; W77-Q93 HydrophobicContact CH2-CB 4.42Å; W77-Q93 HydrophobicContact CH2-CG 3.78Å; W77-Q93 HydrophobicContact CZ2-CG 3.55Å; W77-Q93 VanDerWaalsContact CZ3-CA 3.43Å; W77-Q93 HydrophobicContact CZ3-CB 4.23Å; W77-Q93 HydrophobicContact CZ3-CG 3.83Å; W77-Y96 AromaticContact CE3-CD1 3.96Å; W77-Y96 HydrophobicContact CE3-CD1 3.96Å; W77-Y96 HydrophobicContact CE3-CG 4.16Å; W77-Y96 HydrophobicContact CZ3-CD1 4.38Å; W77-Y96 HydrophobicContact CZ3-CG 4.13Å; W77-F97 HydrophobicContact CB-CE2 4.19Å; W77-F97 HydrophobicContact CB-CZ 3.93Å; W77-F97 HydrophobicContact CE3-CE2 4.5Å
78	E	87.2	Confident	83.7	Confident	92 Å²	92	52.7 Å²	52.7	43%	0.43	25%	0.251	S	S	.	.	I	π-helix	trans	-60.3	-39	-174.8	-74	177.3	164.3	0	0	111.2	K74 H75 T82	K74-E78 VanDerWaalsContact CE-CD 3.44Å; K74-E78 WeakPolarHBondContact CE-OE1 3.3Å; K74-E78 HydrophobicContact CG-CG 4.32Å; K74-E78 IonicContact NZ-OE1 3.88Å; K74-E78 WeakPolarHBondContact O-CB 3.41Å; K74-E78 WeakPolarHBondContact O-CG 3.07Å; K74-E78 PolarHBondContact O-N 2.89Å; H75-E78 PolarHBondContact O-N 3.41Å; E78-T82 PolarHBondContact O-OG1 3.32Å
79	K	81.8	Confident	84.8	Confident	68 Å²	68	51.3 Å²	51.3	30%	0.296	25%	0.25	S	C	.	.	I	π-helix	trans	-84.2	-40.8	-178.2	-169.8	172.5	174.8	170.7	0	113.8	H75 W77 E196	H75-K79 VanDerWaalsContact O-CB 3.28Å; H75-K79 WeakPolarHBondContact O-CB 2.95Å; H75-K79 PolarHBondContact O-N 2.75Å; W77-K79 PolarHBondContact O-N 3.34Å; K79-E196 IonicContact NZ-OE1 3.75Å; K79-E196 PolarHBondContact NZ-OE1 3.45Å; K79-E196 IonicContact NZ-OE2 3.27Å; K79-E196 PolarHBondContact NZ-OE2 3.11Å
80	H	84.4	Confident	85.9	Confident	38 Å²	38	46.3 Å²	46.3	18%	0.176	23%	0.231	C	C	.	.	I	π-helix	trans	-117.7	-45	-171.1	-58	-60.5	0	0	0	112.9	E76 T82 C83 A84	E76-H80 WeakPolarHBondContact O-CA 3.23Å; E76-H80 VanDerWaalsContact O-CB 3.32Å; E76-H80 WeakPolarHBondContact O-CB 3.32Å; E76-H80 PolarHBondContact O-N 2.97Å; E76-H80 IonicContact OE2-CD2 3.86Å; E76-H80 PolarHBondContact OE2-CD2 3.31Å; H80-T82 PolarHBondContact O-N 2.93Å; H80-C83 WeakPolarHBondContact O-CB 3.4Å; H80-C83 PolarHBondContact O-N 3.36Å; H80-A84 PolarHBondContact O-N 3.48Å
81	G	83.2	Confident	86.7	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-61.2	-37.7	-178.9	0	0	0	0	0	114.4	E76 W77 C83 A84 A85	E76-G81 PolarHBondContact O-N 2.86Å; E76-G81 VanDerWaalsContact O-N 3.08Å; W77-G81 CarbonylContact O-C 3.54Å; W77-G81 VanDerWaalsContact O-CA 3.31Å; W77-G81 WeakPolarHBondContact O-CA 3.33Å; W77-G81 PolarHBondContact O-N 3Å; G81-C83 VanDerWaalsContact C-N 3.32Å; G81-C83 PolarHBondContact O-N 3Å; G81-A84 WeakPolarHBondContact O-CB 3.24Å; G81-A84 PolarHBondContact O-N 3.2Å; G81-A85 WeakPolarHBondContact O-CB 3.48Å; G81-A85 PolarHBondContact O-N 3.47Å
82	T	87.4	Confident	87.2	Confident	68 Å²	68	44.5 Å²	44.5	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-37.2	176.8	54.4	0	0	0	0	112.7	W77 E78 H80	W77-T82 HydrophobicContact CZ2-CG2 4.46Å; W77-T82 PolarHBondContact O-N 3.45Å; E78-T82 PolarHBondContact O-OG1 3.32Å; H80-T82 PolarHBondContact O-N 2.93Å
83	C	82.6	Confident	87.5	Confident	20 Å²	20	45.6 Å²	45.6	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-44	171.9	-69.8	0	0	0	0	111.4	C20 H80 G81 A85 Q86	C20-C83 HydrophobicContact CB-CB 4.15Å; C20-C83 WeakPolarHBondContact CB-SG 3.4Å; C20-C83 WeakPolarHBondContact SG-CB 3.46Å; C20-C83 CovalentContact SG-SG 2.03Å; C20-C83 PolarHBondContact SG-SG 2.92Å; H80-C83 WeakPolarHBondContact O-CB 3.4Å; H80-C83 PolarHBondContact O-N 3.36Å; G81-C83 VanDerWaalsContact C-N 3.32Å; G81-C83 PolarHBondContact O-N 3Å; C83-A85 PolarHBondContact O-N 3.14Å; C83-Q86 WeakPolarHBondContact O-CG 3.03Å; C83-Q86 PolarHBondContact O-N 3.47Å
84	A	86.1	Confident	87.7	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-28.4	178.4	0	0	0	0	0	113.1	L18 H80 G81 Q86 V87 L90 Y96	L18-A84 VanDerWaalsContact CD1-CA 3.47Å; L18-A84 HydrophobicContact CD1-CB 3.59Å; H80-A84 PolarHBondContact O-N 3.48Å; G81-A84 WeakPolarHBondContact O-CB 3.24Å; G81-A84 PolarHBondContact O-N 3.2Å; A84-Q86 PolarHBondContact O-N 3.2Å; A84-V87 WeakPolarHBondContact O-CB 3.31Å; A84-V87 PolarHBondContact O-N 3.4Å; A84-L90 HydrophobicContact CB-CB 4.26Å; A84-L90 HydrophobicContact CB-CD1 3.99Å; A84-Y96 HydrophobicContact CB-CD2 3.72Å; A84-Y96 HydrophobicContact CB-CE2 3.81Å
85	A	90.8	Very high	87.9	Confident	30 Å²	30	51.5 Å²	51.5	25%	0.248	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-6.1	-178.1	0	0	0	0	0	114.9	W77 G81 C83 V87 N91	W77-A85 HydrophobicContact CH2-CB 4.18Å; G81-A85 WeakPolarHBondContact O-CB 3.48Å; G81-A85 PolarHBondContact O-N 3.47Å; C83-A85 PolarHBondContact O-N 3.14Å; A85-V87 PolarHBondContact O-N 2.87Å; A85-N91 WeakPolarHBondContact O-CA 3.29Å; A85-N91 VanDerWaalsContact O-CB 3.28Å; A85-N91 WeakPolarHBondContact O-CB 3.38Å
86	Q	90	Very high	88.2	Confident	126 Å²	126	47.3 Å²	47.3	59%	0.589	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-19.3	167.1	-62.7	174.6	22.7	0	0	113.2	C83 A84	C83-Q86 WeakPolarHBondContact O-CG 3.03Å; C83-Q86 PolarHBondContact O-N 3.47Å; A84-Q86 PolarHBondContact O-N 3.2Å
87	V	89.3	Confident	88.4	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.243	C	C	.	.	S	Bend	trans	-92	127.9	176.7	177.1	0	0	0	0	108.2	L18 A84 A85 A89 L90 N91 K167	L18-V87 HydrophobicContact CD1-CG2 4.19Å; A84-V87 WeakPolarHBondContact O-CB 3.31Å; A84-V87 PolarHBondContact O-N 3.4Å; A85-V87 PolarHBondContact O-N 2.87Å; V87-A89 HydrophobicContact CG1-CB 4.13Å; V87-A89 PolarHBondContact O-N 3.43Å; V87-A89 VanDerWaalsContact O-N 3.17Å; V87-L90 HydrophobicContact CB-CB 4.38Å; V87-L90 HydrophobicContact CB-CD1 4.38Å; V87-L90 HydrophobicContact CB-CG 4.42Å; V87-L90 HydrophobicContact CG1-CG 4.41Å; V87-L90 CarbonylContact O-C 3.38Å; V87-L90 WeakPolarHBondContact O-CA 2.96Å; V87-L90 PolarHBondContact O-N 2.88Å; V87-N91 PolarHBondContact O-N 2.83Å; V87-K167 WeakPolarHBondContact CG1-O 3.29Å; V87-K167 HydrophobicContact CG2-CD 4.36Å; V87-K167 HydrophobicContact CG2-CG 3.59Å; V87-K167 WeakPolarHBondContact CG2-O 3.24Å
88	D	93	Very high	88.7	Confident	121 Å²	121	46 Å²	46	65%	0.647	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-56.5	-37.9	-177.1	-80.5	-24.6	0	0	0	112.2	L90 N91 K95	D88-L90 PolarHBondContact O-N 2.91Å; D88-L90 VanDerWaalsContact O-N 3.16Å; D88-N91 PolarHBondContact O-OD1 2.85Å; D88-K95 WeakPolarHBondContact O-CE 3.32Å; D88-K95 PolarHBondContact O-NZ 2.92Å
89	A	91.1	Very high	88.9	Confident	43 Å²	43	43.3 Å²	43.3	36%	0.355	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-62.2	-20.6	176.1	0	0	0	0	0	114	V87 K95	V87-A89 HydrophobicContact CG1-CB 4.13Å; V87-A89 PolarHBondContact O-N 3.43Å; V87-A89 VanDerWaalsContact O-N 3.17Å; A89-K95 WeakPolarHBondContact O-CB 3.25Å; A89-K95 VanDerWaalsContact O-CE 3.27Å; A89-K95 WeakPolarHBondContact O-CE 3.34Å
90	L	90.5	Very high	89.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-122.3	7.2	-172.5	-54.3	176.2	0	0	0	113.3	L16 L18 A84 V87 D88 S92 R99	L16-L90 HydrophobicContact CD2-CD1 4.42Å; L18-L90 HydrophobicContact CD1-CD1 4Å; A84-L90 HydrophobicContact CB-CB 4.26Å; A84-L90 HydrophobicContact CB-CD1 3.99Å; V87-L90 HydrophobicContact CB-CB 4.38Å; V87-L90 HydrophobicContact CB-CD1 4.38Å; V87-L90 HydrophobicContact CB-CG 4.42Å; V87-L90 HydrophobicContact CG1-CG 4.41Å; V87-L90 CarbonylContact O-C 3.38Å; V87-L90 WeakPolarHBondContact O-CA 2.96Å; V87-L90 PolarHBondContact O-N 2.88Å; D88-L90 PolarHBondContact O-N 2.91Å; D88-L90 VanDerWaalsContact O-N 3.16Å; L90-S92 PolarHBondContact O-N 3.36Å; L90-R99 HydrophobicContact CD2-CB 3.59Å; L90-R99 HydrophobicContact CD2-CG 3.7Å
91	N	92.6	Very high	89.4	Confident	72 Å²	72	38.7 Å²	38.7	39%	0.385	21%	0.213	S	C	.	.	S	Bend	trans	-70.1	16.3	-169.3	71.9	-2.2	0	0	0	117	A85 V87 D88 K95	A85-N91 WeakPolarHBondContact O-CA 3.29Å; A85-N91 VanDerWaalsContact O-CB 3.28Å; A85-N91 WeakPolarHBondContact O-CB 3.38Å; V87-N91 PolarHBondContact O-N 2.83Å; D88-N91 PolarHBondContact O-OD1 2.85Å; N91-K95 WeakPolarHBondContact OD1-CD 3.49Å; N91-K95 WeakPolarHBondContact OD1-CE 3.43Å; N91-K95 PolarHBondContact OD1-NZ 3.45Å
92	S	90.1	Very high	89.8	Confident	44 Å²	44	42.2 Å²	42.2	31%	0.308	23%	0.229	S	C	.	.	S	Bend	trans	-151.7	160.8	170.8	77.3	0	0	0	0	110.3	L90 K94 K95 Y96	L90-S92 PolarHBondContact O-N 3.36Å; S92-K94 PolarHBondContact O-N 3.5Å; S92-K95 PolarHBondContact O-N 3.03Å; S92-K95 WeakPolarHBondContact OG-CB 3.44Å; S92-K95 WeakPolarHBondContact OG-CG 3.14Å; S92-K95 PolarHBondContact OG-N 3.3Å; S92-Y96 WeakPolarHBondContact O-CB 3.31Å; S92-Y96 PolarHBondContact O-N 2.97Å
93	Q	88.8	Confident	90	Very high	37 Å²	37	39.2 Å²	39.2	17%	0.173	21%	0.211	C	C	.	.	H	α-helix	trans	-54.7	-50.9	177.1	-70.5	176.7	27	0	0	112.1	W43 V47 W77 K95 Y96 F97	W43-Q93 HydrophobicContact CH2-CG 3.84Å; W43-Q93 VanDerWaalsContact CZ2-CD 3.41Å; W43-Q93 HydrophobicContact CZ2-CG 4.17Å; V47-Q93 VanDerWaalsContact CB-OE1 3.3Å; V47-Q93 HydrophobicContact CG1-CB 3.6Å; V47-Q93 HydrophobicContact CG1-CG 4.28Å; W77-Q93 HydrophobicContact CD2-CB 4.46Å; W77-Q93 HydrophobicContact CD2-CG 3.44Å; W77-Q93 VanDerWaalsContact CD2-CG 3.44Å; W77-Q93 HydrophobicContact CE3-CB 4.22Å; W77-Q93 HydrophobicContact CE3-CG 3.65Å; W77-Q93 HydrophobicContact CG-CG 4.08Å; W77-Q93 HydrophobicContact CH2-CB 4.42Å; W77-Q93 HydrophobicContact CH2-CG 3.78Å; W77-Q93 HydrophobicContact CZ2-CG 3.55Å; W77-Q93 VanDerWaalsContact CZ3-CA 3.43Å; W77-Q93 HydrophobicContact CZ3-CB 4.23Å; W77-Q93 HydrophobicContact CZ3-CG 3.83Å; Q93-K95 VanDerWaalsContact C-N 3.27Å; Q93-K95 PolarHBondContact O-N 2.75Å; Q93-Y96 PolarHBondContact O-N 3.29Å; Q93-F97 HydrophobicContact CB-CD2 4.34Å; Q93-F97 HydrophobicContact CB-CE2 4.37Å; Q93-F97 WeakPolarHBondContact O-CD2 3.41Å; Q93-F97 PolarHBondContact O-N 3.41Å
94	K	90.2	Very high	90.2	Very high	102 Å²	102	40.4 Å²	40.4	44%	0.443	21%	0.212	S	C	.	.	H	α-helix	trans	-59	-39.4	179.9	-178	166.6	178.8	164.1	0	111.6	D50 L51 S92 G98	D50-K94 IonicContact OD2-NZ 3.69Å; D50-K94 PolarHBondContact OD2-NZ 2.87Å; L51-K94 HydrophobicContact CD1-CG 4.38Å; S92-K94 PolarHBondContact O-N 3.5Å; K94-G98 WeakPolarHBondContact O-CA 3.36Å; K94-G98 PolarHBondContact O-N 2.96Å
95	K	92	Very high	90.3	Very high	85 Å²	85	45.5 Å²	45.5	37%	0.37	23%	0.232	S	C	.	.	H	α-helix	trans	-71.3	-44.5	178.1	-72.9	175.1	68.3	176	0	112.3	D88 A89 N91 S92 Q93 R99	D88-K95 WeakPolarHBondContact O-CE 3.32Å; D88-K95 PolarHBondContact O-NZ 2.92Å; A89-K95 WeakPolarHBondContact O-CB 3.25Å; A89-K95 VanDerWaalsContact O-CE 3.27Å; A89-K95 WeakPolarHBondContact O-CE 3.34Å; N91-K95 WeakPolarHBondContact OD1-CD 3.49Å; N91-K95 WeakPolarHBondContact OD1-CE 3.43Å; N91-K95 PolarHBondContact OD1-NZ 3.45Å; S92-K95 PolarHBondContact O-N 3.03Å; S92-K95 WeakPolarHBondContact OG-CB 3.44Å; S92-K95 WeakPolarHBondContact OG-CG 3.14Å; S92-K95 PolarHBondContact OG-N 3.3Å; Q93-K95 VanDerWaalsContact C-N 3.27Å; Q93-K95 PolarHBondContact O-N 2.75Å; K95-R99 VanDerWaalsContact O-CB 3.25Å; K95-R99 WeakPolarHBondContact O-CB 3.32Å; K95-R99 PolarHBondContact O-N 3.01Å
96	Y	89.4	Confident	90.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-58.6	175.2	174.2	-101	0	0	0	111.4	L16 W59 W77 A84 S92 Q93 G98 R99 S100	L16-Y96 HydrophobicContact CB-CE2 3.99Å; L16-Y96 HydrophobicContact CD1-CD2 4.49Å; L16-Y96 HydrophobicContact CD1-CE2 4.14Å; W59-Y96 HydrophobicContact CH2-CE1 4.08Å; W77-Y96 AromaticContact CE3-CD1 3.96Å; W77-Y96 HydrophobicContact CE3-CD1 3.96Å; W77-Y96 HydrophobicContact CE3-CG 4.16Å; W77-Y96 HydrophobicContact CZ3-CD1 4.38Å; W77-Y96 HydrophobicContact CZ3-CG 4.13Å; A84-Y96 HydrophobicContact CB-CD2 3.72Å; A84-Y96 HydrophobicContact CB-CE2 3.81Å; S92-Y96 WeakPolarHBondContact O-CB 3.31Å; S92-Y96 PolarHBondContact O-N 2.97Å; Q93-Y96 PolarHBondContact O-N 3.29Å; Y96-G98 PolarHBondContact O-N 3.36Å; Y96-R99 PolarHBondContact O-N 3.43Å; Y96-S100 PolarHBondContact O-N 2.79Å; Y96-S100 PolarHBondContact O-OG 3.47Å
97	F	89.6	Confident	90.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.1	-38.6	-179.4	-69.7	-65	0	0	0	112.5	W43 L51 M55 W59 W73 W77 Q93 S100 L101	W43-F97 HydrophobicContact CZ2-CE2 4.15Å; L51-F97 HydrophobicContact CD1-CB 4.04Å; M55-F97 HydrophobicContact CE-CB 4.27Å; M55-F97 HydrophobicContact CE-CD1 3.4Å; M55-F97 HydrophobicContact CE-CD2 4.28Å; M55-F97 HydrophobicContact CE-CE1 3.69Å; M55-F97 HydrophobicContact CE-CG 3.73Å; M55-F97 HydrophobicContact CE-CZ 4.27Å; M55-F97 HydrophobicContact SD-CB 4.42Å; M55-F97 HydrophobicContact SD-CG 4.4Å; W59-F97 HydrophobicContact CE3-CD1 4.06Å; W59-F97 HydrophobicContact CH2-CD1 4.31Å; W59-F97 HydrophobicContact CH2-CE1 4.35Å; W59-F97 AromaticContact CZ3-CD1 3.62Å; W59-F97 HydrophobicContact CZ3-CD1 3.62Å; W59-F97 HydrophobicContact CZ3-CE1 4.06Å; W73-F97 HydrophobicContact CB-CE1 4.15Å; W73-F97 HydrophobicContact CB-CZ 4.07Å; W73-F97 WeakPolarHBondContact O-CZ 3.49Å; W77-F97 HydrophobicContact CB-CE2 4.19Å; W77-F97 HydrophobicContact CB-CZ 3.93Å; W77-F97 HydrophobicContact CE3-CE2 4.5Å; Q93-F97 HydrophobicContact CB-CD2 4.34Å; Q93-F97 HydrophobicContact CB-CE2 4.37Å; Q93-F97 WeakPolarHBondContact O-CD2 3.41Å; Q93-F97 PolarHBondContact O-N 3.41Å; F97-S100 PolarHBondContact O-N 2.83Å; F97-L101 VanDerWaalsContact O-CG 3.3Å; F97-L101 WeakPolarHBondContact O-CG 3.44Å; F97-L101 PolarHBondContact O-N 2.76Å
98	G	91.8	Very high	90.3	Very high	20 Å²	20	47.7 Å²	47.7	21%	0.206	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-47.6	176.2	0	0	0	0	0	112.2	K94 Y96 L101 E102	K94-G98 WeakPolarHBondContact O-CA 3.36Å; K94-G98 PolarHBondContact O-N 2.96Å; Y96-G98 PolarHBondContact O-N 3.36Å; G98-L101 PolarHBondContact O-N 2.77Å; G98-E102 WeakPolarHBondContact O-CB 3.42Å; G98-E102 PolarHBondContact O-N 3.3Å
99	R	92.6	Very high	90.1	Very high	34 Å²	34	42.5 Å²	42.5	13%	0.128	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-37.9	177.8	-174.3	56.5	177.1	148.6	8.9	111.9	L90 K95 Y96 L101 E102 L103 E106	L90-R99 HydrophobicContact CD2-CB 3.59Å; L90-R99 HydrophobicContact CD2-CG 3.7Å; K95-R99 VanDerWaalsContact O-CB 3.25Å; K95-R99 WeakPolarHBondContact O-CB 3.32Å; K95-R99 PolarHBondContact O-N 3.01Å; Y96-R99 PolarHBondContact O-N 3.43Å; R99-L101 PolarHBondContact O-N 2.93Å; R99-E102 VanDerWaalsContact CD-OE2 3.24Å; R99-E102 WeakPolarHBondContact CD-OE2 3.45Å; R99-E102 IonicContact CZ-OE2 3.99Å; R99-E102 IonicContact NE-OE2 2.68Å; R99-E102 VanDerWaalsContact NH1-CD 3.3Å; R99-E102 IonicContact NH1-OE2 3.86Å; R99-E102 PolarHBondContact NH1-OE2 2.91Å; R99-E102 PolarHBondContact O-N 3.42Å; R99-L103 HydrophobicContact CG-CD1 4.04Å; R99-L103 HydrophobicContact CG-CG 4.41Å; R99-L103 WeakPolarHBondContact O-CB 3.25Å; R99-L103 VanDerWaalsContact O-CG 3.31Å; R99-L103 WeakPolarHBondContact O-CG 3.43Å; R99-L103 PolarHBondContact O-N 3.4Å; R99-E106 IonicContact CZ-OE2 3.4Å; R99-E106 IonicContact NH1-OE1 3.75Å; R99-E106 IonicContact NH1-OE2 2.82Å; R99-E106 PolarHBondContact NH1-OE2 3.16Å; R99-E106 IonicContact NH2-OE2 2.82Å
100	S	88.6	Confident	89.8	Confident	5 Å²	5	41.8 Å²	41.8	4%	0.035	20%	0.202	C	C	.	.	H	α-helix	trans	-59.4	-44.8	173.4	-58.6	0	0	0	0	112.4	L16 W59 Y96 F97 E102 L103 Y104	L16-S100 WeakPolarHBondContact CD1-OG 3.26Å; W59-S100 WeakPolarHBondContact CZ3-OG 3.29Å; Y96-S100 PolarHBondContact O-N 2.79Å; Y96-S100 PolarHBondContact O-OG 3.47Å; F97-S100 PolarHBondContact O-N 2.83Å; S100-E102 VanDerWaalsContact C-N 3.35Å; S100-L103 PolarHBondContact O-N 2.9Å; S100-Y104 WeakPolarHBondContact O-CB 3.12Å; S100-Y104 PolarHBondContact O-N 3.34Å
101	L	88.4	Confident	89.7	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-38.3	177.5	-71.6	169.1	0	0	0	111.7	L51 E54 M55 Y58 F97 G98 R99 Y104 R105	L51-L101 HydrophobicContact CB-CD1 4.2Å; L51-L101 HydrophobicContact CD2-CD1 4.29Å; E54-L101 HydrophobicContact CB-CD1 3.86Å; E54-L101 HydrophobicContact CB-CD2 4.23Å; M55-L101 HydrophobicContact CG-CD1 3.91Å; Y58-L101 HydrophobicContact CD2-CD2 4.44Å; F97-L101 VanDerWaalsContact O-CG 3.3Å; F97-L101 WeakPolarHBondContact O-CG 3.44Å; F97-L101 PolarHBondContact O-N 2.76Å; G98-L101 PolarHBondContact O-N 2.77Å; R99-L101 PolarHBondContact O-N 2.93Å; L101-Y104 PolarHBondContact O-N 3.39Å; L101-R105 WeakPolarHBondContact O-CG 3.27Å; L101-R105 PolarHBondContact O-N 3.48Å; L101-R105 VanDerWaalsContact O-N 3.13Å
102	E	91.8	Very high	89.6	Confident	75 Å²	75	42.2 Å²	42.2	35%	0.35	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-51.6	173.8	-175.4	177.7	-129.5	0	0	111.9	G98 R99 S100 Y104 R105 E106	G98-E102 WeakPolarHBondContact O-CB 3.42Å; G98-E102 PolarHBondContact O-N 3.3Å; R99-E102 VanDerWaalsContact CD-OE2 3.24Å; R99-E102 WeakPolarHBondContact CD-OE2 3.45Å; R99-E102 IonicContact CZ-OE2 3.99Å; R99-E102 IonicContact NE-OE2 2.68Å; R99-E102 VanDerWaalsContact NH1-CD 3.3Å; R99-E102 IonicContact NH1-OE2 3.86Å; R99-E102 PolarHBondContact NH1-OE2 2.91Å; R99-E102 PolarHBondContact O-N 3.42Å; S100-E102 VanDerWaalsContact C-N 3.35Å; E102-Y104 VanDerWaalsContact C-N 3.27Å; E102-Y104 PolarHBondContact O-N 2.76Å; E102-R105 VanDerWaalsContact CA-NH2 3.34Å; E102-R105 PolarHBondContact O-N 3.07Å; E102-E106 HydrophobicContact CG-CG 4.28Å; E102-E106 WeakPolarHBondContact CG-OE1 3.4Å; E102-E106 WeakPolarHBondContact O-CG 3.31Å; E102-E106 PolarHBondContact O-N 3.47Å
103	L	90	Very high	89.6	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-41.2	175.7	-73.9	163.9	0	0	0	112	L14 L16 R99 S100 R105 E106 L107 L165 Q170	L14-L103 HydrophobicContact CD1-CB 4.5Å; L14-L103 HydrophobicContact CD2-CB 4.23Å; L16-L103 HydrophobicContact CD1-CD1 4.19Å; L16-L103 HydrophobicContact CD2-CD1 4.39Å; R99-L103 HydrophobicContact CG-CD1 4.04Å; R99-L103 HydrophobicContact CG-CG 4.41Å; R99-L103 WeakPolarHBondContact O-CB 3.25Å; R99-L103 VanDerWaalsContact O-CG 3.31Å; R99-L103 WeakPolarHBondContact O-CG 3.43Å; R99-L103 PolarHBondContact O-N 3.4Å; S100-L103 PolarHBondContact O-N 2.9Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.92Å; L103-E106 PolarHBondContact O-N 2.9Å; L103-L107 VanDerWaalsContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CB 3.47Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 2.64Å; L103-L165 HydrophobicContact CD1-CD1 3.57Å; L103-L165 HydrophobicContact CD2-CD1 3.97Å; L103-L165 HydrophobicContact CG-CD1 4.33Å; L103-Q170 HydrophobicContact CD1-CB 4.11Å; L103-Q170 HydrophobicContact CD1-CG 4.4Å; L103-Q170 HydrophobicContact CD2-CB 4.16Å
104	Y	86.6	Confident	89.8	Confident	45 Å²	45	42.5 Å²	42.5	18%	0.176	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-42	175.8	174.8	-90.9	0	0	0	112.1	Y58 S100 L101 E102 D108 N110	Y58-Y104 HydrophobicContact CD1-CD1 4.2Å; Y58-Y104 AromaticContact CD1-CE1 3.38Å; Y58-Y104 HydrophobicContact CD1-CE1 3.38Å; Y58-Y104 HydrophobicContact CD2-CD1 4.45Å; Y58-Y104 HydrophobicContact CD2-CE1 4.39Å; Y58-Y104 HydrophobicContact CE1-CE1 4.06Å; Y58-Y104 AromaticContact CG-CD1 3.94Å; Y58-Y104 HydrophobicContact CG-CD1 3.94Å; Y58-Y104 AromaticContact CG-CE1 3.57Å; Y58-Y104 HydrophobicContact CG-CE1 3.57Å; S100-Y104 WeakPolarHBondContact O-CB 3.12Å; S100-Y104 PolarHBondContact O-N 3.34Å; L101-Y104 PolarHBondContact O-N 3.39Å; E102-Y104 VanDerWaalsContact C-N 3.27Å; E102-Y104 PolarHBondContact O-N 2.76Å; Y104-D108 PolarHBondContact O-N 3.33Å; Y104-D108 VanDerWaalsContact O-N 3.12Å; Y104-N110 PolarHBondContact OH-ND2 2.9Å
105	R	89.1	Confident	90	Very high	107 Å²	107	46.8 Å²	46.8	40%	0.404	23%	0.227	S	C	.	.	H	α-helix	trans	-73.1	-39	177.2	-67.2	-176.4	-53.6	-103.4	-4.1	112.6	E54 L101 E102 L103	E54-R105 IonicContact OE1-NH1 2.79Å; E54-R105 PolarHBondContact OE1-NH1 3.35Å; E54-R105 IonicContact OE2-CZ 3.27Å; E54-R105 IonicContact OE2-NH1 2.75Å; E54-R105 PolarHBondContact OE2-NH1 3.15Å; L101-R105 WeakPolarHBondContact O-CG 3.27Å; L101-R105 PolarHBondContact O-N 3.48Å; L101-R105 VanDerWaalsContact O-N 3.13Å; E102-R105 VanDerWaalsContact CA-NH2 3.34Å; E102-R105 PolarHBondContact O-N 3.07Å; L103-R105 VanDerWaalsContact C-N 3.31Å; L103-R105 PolarHBondContact O-N 2.92Å
106	E	90.3	Very high	90.1	Very high	117 Å²	117	46.1 Å²	46.1	55%	0.547	23%	0.227	S	C	.	.	H	α-helix	trans	-65.9	-41.9	179.1	-74.2	175.9	173.7	0	0	111.4	R99 E102 L103	R99-E106 IonicContact CZ-OE2 3.4Å; R99-E106 IonicContact NH1-OE1 3.75Å; R99-E106 IonicContact NH1-OE2 2.82Å; R99-E106 PolarHBondContact NH1-OE2 3.16Å; R99-E106 IonicContact NH2-OE2 2.82Å; E102-E106 HydrophobicContact CG-CG 4.28Å; E102-E106 WeakPolarHBondContact CG-OE1 3.4Å; E102-E106 WeakPolarHBondContact O-CG 3.31Å; E102-E106 PolarHBondContact O-N 3.47Å; L103-E106 PolarHBondContact O-N 2.9Å
107	L	89.1	Confident	90.4	Very high	18 Å²	18	48.3 Å²	48.3	9%	0.094	25%	0.25	C	C	.	.	H	α-helix	trans	-75.8	-34.6	-179.7	-68.4	168.3	0	0	0	112.3	L14 L103 L109 Y138 L163 L172	L14-L107 HydrophobicContact CD1-CD1 3.63Å; L14-L107 HydrophobicContact CD2-CD1 3.56Å; L14-L107 HydrophobicContact CG-CD1 4.07Å; L103-L107 VanDerWaalsContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CB 3.47Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 2.64Å; L107-L109 VanDerWaalsContact C-N 3.25Å; L107-L109 PolarHBondContact O-N 2.96Å; L107-L109 VanDerWaalsContact O-N 3.12Å; L107-Y138 HydrophobicContact CB-CE1 4.34Å; L107-Y138 HydrophobicContact CD2-CD1 4.03Å; L107-Y138 HydrophobicContact CD2-CE1 3.83Å; L107-Y138 WeakPolarHBondContact O-CE1 3.45Å; L107-Y138 PolarHBondContact O-OH 2.83Å; L107-L163 HydrophobicContact CD1-CD1 4.14Å; L107-L163 HydrophobicContact CD2-CD1 4.25Å; L107-L172 HydrophobicContact CD2-CD1 3.75Å; L107-L172 HydrophobicContact CD2-CD2 3.88Å; L107-L172 HydrophobicContact CD2-CG 4.05Å
108	D	90.9	Very high	90.7	Very high	69 Å²	69	48.8 Å²	48.8	37%	0.369	25%	0.252	S	S	.	.			trans	43.6	47.9	175.7	-163.1	8.9	0	0	0	114.3	Y104 N110 S111 V112	Y104-D108 PolarHBondContact O-N 3.33Å; Y104-D108 VanDerWaalsContact O-N 3.12Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-S111 PolarHBondContact O-N 3.21Å; D108-S111 VanDerWaalsContact O-N 3.08Å; D108-S111 WeakPolarHBondContact OD1-CB 3.48Å; D108-S111 PolarHBondContact OD1-N 2.82Å; D108-S111 PolarHBondContact OD1-OG 3.02Å; D108-S111 WeakPolarHBondContact OD2-CB 3.43Å; D108-S111 PolarHBondContact OD2-OG 2.82Å; D108-V112 WeakPolarHBondContact O-CG2 3.43Å; D108-V112 PolarHBondContact O-N 3.06Å
109	L	88.4	Confident	90.9	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.063	27%	0.269	C	S	.	.	H	α-helix	trans	-51.2	-37	-174.9	-179.6	64.2	0	0	0	112.9	L107 V112 L113 L134 Y138 I161	L107-L109 VanDerWaalsContact C-N 3.25Å; L107-L109 PolarHBondContact O-N 2.96Å; L107-L109 VanDerWaalsContact O-N 3.12Å; L109-V112 PolarHBondContact O-N 3.45Å; L109-L113 HydrophobicContact CD1-CD1 4.09Å; L109-L113 HydrophobicContact CD1-CG 4.15Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.42Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.32Å; L109-L134 HydrophobicContact CD1-CD1 4.13Å; L109-L134 HydrophobicContact CD1-CD2 3.54Å; L109-L134 HydrophobicContact CD1-CG 4.49Å; L109-Y138 VanDerWaalsContact CA-OH 3.28Å; L109-Y138 WeakPolarHBondContact CA-OH 3.4Å; L109-Y138 HydrophobicContact CD1-CE2 3.96Å; L109-I161 HydrophobicContact CD2-CB 4.1Å; L109-I161 HydrophobicContact CD2-CD1 4.05Å; L109-I161 HydrophobicContact CD2-CG2 4.11Å
110	N	84.6	Confident	90.9	Very high	28 Å²	28	54 Å²	54	15%	0.15	27%	0.274	C	S	.	.	H	α-helix	trans	-64.5	-50.3	179.9	-67.1	-56.2	0	0	0	112.1	A9 Y104 D108 V112 L113 L114	A9-N110 WeakPolarHBondContact CA-OD1 3.44Å; A9-N110 VanDerWaalsContact CB-ND2 3.35Å; A9-N110 WeakPolarHBondContact CB-ND2 3.36Å; A9-N110 WeakPolarHBondContact CB-OD1 3.48Å; Y104-N110 PolarHBondContact OH-ND2 2.9Å; D108-N110 PolarHBondContact O-N 2.88Å; N110-V112 VanDerWaalsContact C-N 3.29Å; N110-V112 PolarHBondContact O-N 2.96Å; N110-L113 PolarHBondContact O-N 2.74Å; N110-L114 WeakPolarHBondContact O-CB 3.41Å; N110-L114 VanDerWaalsContact O-CG 3.24Å; N110-L114 WeakPolarHBondContact O-CG 3.3Å; N110-L114 PolarHBondContact O-N 2.95Å
111	S	88.3	Confident	91.2	Very high	57 Å²	57	54.9 Å²	54.9	40%	0.399	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-37.1	178.1	-58.5	0	0	0	0	111.4	D108 L114 K115	D108-S111 PolarHBondContact O-N 3.21Å; D108-S111 VanDerWaalsContact O-N 3.08Å; D108-S111 WeakPolarHBondContact OD1-CB 3.48Å; D108-S111 PolarHBondContact OD1-N 2.82Å; D108-S111 PolarHBondContact OD1-OG 3.02Å; D108-S111 WeakPolarHBondContact OD2-CB 3.43Å; D108-S111 PolarHBondContact OD2-OG 2.82Å; S111-L114 PolarHBondContact O-N 3.46Å; S111-K115 WeakPolarHBondContact O-CB 3.27Å; S111-K115 PolarHBondContact O-N 3.02Å
112	V	91.6	Very high	91.4	Very high	24 Å²	24	61.3 Å²	61.3	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-54.1	175.5	166.2	0	0	0	0	110.9	D108 L109 N110 L114 K115 L116 L134 V137 Y138	D108-V112 WeakPolarHBondContact O-CG2 3.43Å; D108-V112 PolarHBondContact O-N 3.06Å; L109-V112 PolarHBondContact O-N 3.45Å; N110-V112 VanDerWaalsContact C-N 3.29Å; N110-V112 PolarHBondContact O-N 2.96Å; V112-L114 PolarHBondContact O-N 3.44Å; V112-K115 PolarHBondContact O-N 2.72Å; V112-L116 HydrophobicContact CG1-CD1 3.82Å; V112-L116 WeakPolarHBondContact O-CD1 3.47Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.28Å; V112-L116 PolarHBondContact O-N 3.25Å; V112-L134 HydrophobicContact CG1-CD2 4Å; V112-V137 HydrophobicContact CG1-CB 4.14Å; V112-V137 HydrophobicContact CG1-CG1 3.82Å; V112-V137 HydrophobicContact CG1-CG2 4.05Å; V112-V137 HydrophobicContact CG2-CG1 4.02Å; V112-Y138 HydrophobicContact CG1-CE2 4.5Å
113	L	90.6	Very high	91.6	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-60.6	-46.1	179.4	-72.5	170.8	0	0	0	111.9	L10 L109 N110 K115 L116 G117 I118 F130 L134 I161	L10-L113 HydrophobicContact CB-CD1 4.25Å; L10-L113 HydrophobicContact CD1-CD1 3.43Å; L10-L113 VanDerWaalsContact CD1-CD1 3.43Å; L10-L113 HydrophobicContact CG-CD1 4.46Å; L109-L113 HydrophobicContact CD1-CD1 4.09Å; L109-L113 HydrophobicContact CD1-CG 4.15Å; L109-L113 HydrophobicContact CG-CD1 3.95Å; L109-L113 HydrophobicContact CG-CG 4.42Å; L109-L113 WeakPolarHBondContact O-CB 3.44Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.42Å; L109-L113 PolarHBondContact O-N 3.32Å; N110-L113 PolarHBondContact O-N 2.74Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 2.96Å; L113-L116 CarbonylContact O-C 3.47Å; L113-L116 PolarHBondContact O-N 3.01Å; L113-L116 VanDerWaalsContact O-N 3.16Å; L113-G117 PolarHBondContact O-N 3.22Å; L113-I118 CarbonylContact C-O 3.13Å; L113-I118 VanDerWaalsContact C-O 3.27Å; L113-I118 HydrophobicContact CB-CB 4.36Å; L113-I118 HydrophobicContact CD2-CB 4.04Å; L113-I118 HydrophobicContact CD2-CD1 4.06Å; L113-I118 HydrophobicContact CD2-CG2 3.98Å; L113-I118 PolarHBondContact O-N 3.03Å; L113-F130 HydrophobicContact CD2-CD1 3.96Å; L113-F130 HydrophobicContact CD2-CE1 4.24Å; L113-L134 HydrophobicContact CD2-CD1 4.46Å; L113-L134 HydrophobicContact CD2-CD2 3.76Å; L113-L134 HydrophobicContact CD2-CG 4.28Å; L113-L134 HydrophobicContact CG-CD2 4.22Å; L113-I161 HydrophobicContact CD1-CD1 4.35Å
114	L	92.1	Very high	91.9	Very high	86 Å²	86	68.4 Å²	68.4	45%	0.45	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-42.3	177.9	-72.2	173.5	0	0	0	112.4	N110 S111 V112 L116 G117 K119	N110-L114 WeakPolarHBondContact O-CB 3.41Å; N110-L114 VanDerWaalsContact O-CG 3.24Å; N110-L114 WeakPolarHBondContact O-CG 3.3Å; N110-L114 PolarHBondContact O-N 2.95Å; S111-L114 PolarHBondContact O-N 3.46Å; V112-L114 PolarHBondContact O-N 3.44Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.24Å; L114-G117 PolarHBondContact O-N 2.93Å; L114-K119 HydrophobicContact CD2-CB 3.96Å
115	K	94.9	Very high	92.4	Very high	191 Å²	191	68.1 Å²	68.1	83%	0.83	35%	0.345	S	S	*	.	H	α-helix	trans	-65.9	-31.9	177.9	-175.9	178.2	179	-177.7	0	112.2	S111 V112 L113 G117	S111-K115 WeakPolarHBondContact O-CB 3.27Å; S111-K115 PolarHBondContact O-N 3.02Å; V112-K115 PolarHBondContact O-N 2.72Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 2.96Å; K115-G117 PolarHBondContact O-N 3.46Å
116	L	94	Very high	92.9	Very high	72 Å²	72	67.3 Å²	67.3	38%	0.377	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.3	173.3	-68.1	165.1	0	0	0	112.9	V112 L113 L114 I118 A133 V137	V112-L116 HydrophobicContact CG1-CD1 3.82Å; V112-L116 WeakPolarHBondContact O-CD1 3.47Å; V112-L116 VanDerWaalsContact O-CG 3.3Å; V112-L116 WeakPolarHBondContact O-CG 3.28Å; V112-L116 PolarHBondContact O-N 3.25Å; L113-L116 CarbonylContact O-C 3.47Å; L113-L116 PolarHBondContact O-N 3.01Å; L113-L116 VanDerWaalsContact O-N 3.16Å; L114-L116 VanDerWaalsContact C-N 3.28Å; L114-L116 PolarHBondContact O-N 3.24Å; L116-I118 HydrophobicContact CB-CD1 4.34Å; L116-I118 HydrophobicContact CB-CG1 4.33Å; L116-I118 PolarHBondContact O-N 2.62Å; L116-A133 HydrophobicContact CD1-CB 3.67Å; L116-A133 HydrophobicContact CD2-CB 4.44Å; L116-A133 HydrophobicContact CG-CB 4.48Å; L116-V137 HydrophobicContact CD1-CG2 4.01Å
117	G	96.3	Very high	93.2	Very high	46 Å²	46	61.8 Å²	61.8	47%	0.474	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	2.4	-177.7	0	0	0	0	0	114.1	L113 L114 K115 K119	L113-G117 PolarHBondContact O-N 3.22Å; L114-G117 PolarHBondContact O-N 2.93Å; K115-G117 PolarHBondContact O-N 3.46Å; G117-K119 PolarHBondContact O-N 3.38Å
118	I	95.3	Very high	93.6	Very high	10 Å²	10	62.9 Å²	62.9	5%	0.051	33%	0.331	C	S	.	.			trans	-83.7	97.9	177.5	-56.3	172.6	0	0	0	108.1	L113 L116 Y125 D129 F130 A133 Y210	L113-I118 CarbonylContact C-O 3.13Å; L113-I118 VanDerWaalsContact C-O 3.27Å; L113-I118 HydrophobicContact CB-CB 4.36Å; L113-I118 HydrophobicContact CD2-CB 4.04Å; L113-I118 HydrophobicContact CD2-CD1 4.06Å; L113-I118 HydrophobicContact CD2-CG2 3.98Å; L113-I118 PolarHBondContact O-N 3.03Å; L116-I118 HydrophobicContact CB-CD1 4.34Å; L116-I118 HydrophobicContact CB-CG1 4.33Å; L116-I118 PolarHBondContact O-N 2.62Å; I118-Y125 HydrophobicContact CG1-CE1 4.48Å; I118-Y125 HydrophobicContact CG2-CE1 4.24Å; I118-D129 WeakPolarHBondContact CD1-O 3.38Å; I118-F130 HydrophobicContact CG2-CD1 3.88Å; I118-F130 HydrophobicContact CG2-CE1 3.26Å; I118-F130 HydrophobicContact CG2-CE2 4.13Å; I118-F130 HydrophobicContact CG2-CZ 3.41Å; I118-F130 VanDerWaalsContact CG2-CZ 3.41Å; I118-A133 HydrophobicContact CD1-CB 3.91Å; I118-Y210 HydrophobicContact CG2-CD1 4.27Å; I118-Y210 HydrophobicContact CG2-CE1 4.38Å
119	K	95.4	Very high	93.9	Very high	126 Å²	126	63 Å²	63	55%	0.548	33%	0.332	S	S	.	.			trans	-126.7	155.3	-179.1	65.6	-173.6	176.7	-173.4	0	110.9	L114 G117 S121 Y125 Y210	L114-K119 HydrophobicContact CD2-CB 3.96Å; G117-K119 PolarHBondContact O-N 3.38Å; K119-S121 PolarHBondContact O-N 2.95Å; K119-Y125 PolarHBondContact N-OH 3.08Å; K119-Y125 WeakPolarHBondContact O-CE2 3.48Å; K119-Y125 PolarHBondContact O-OH 3.06Å; K119-Y210 VanDerWaalsContact C-CD1 3.42Å; K119-Y210 WeakPolarHBondContact O-CD1 3.36Å
120	P	93.6	Very high	94.3	Very high	36 Å²	36	62.5 Å²	62.5	23%	0.234	33%	0.329	C	S	.	.			trans	-52.5	130.4	174.1	-21.5	28.2	0	0	0	110.8	Y210 P212	P120-Y210 CarbonylContact C-O 3.51Å; P120-Y210 WeakPolarHBondContact CA-O 3.49Å; P120-Y210 HydrophobicContact CB-CD2 4.48Å; P120-Y210 HydrophobicContact CB-CE1 4.38Å; P120-Y210 HydrophobicContact CB-CE2 4.19Å; P120-Y210 VanDerWaalsContact CD-CE1 3.44Å; P120-Y210 VanDerWaalsContact CD-CZ 3.48Å; P120-Y210 WeakPolarHBondContact CD-OH 3.43Å; P120-Y210 HydrophobicContact CG-CE1 3.88Å; P120-Y210 HydrophobicContact CG-CE2 3.78Å; P120-Y210 VanDerWaalsContact CG-CZ 3.43Å; P120-Y210 WeakPolarHBondContact CG-OH 3.25Å; P120-P212 HydrophobicContact CB-CB 4.37Å; P120-P212 HydrophobicContact CB-CG 4.47Å
121	S	93.8	Very high	94.8	Very high	24 Å²	24	63.4 Å²	63.4	17%	0.168	33%	0.332	C	S	.	.			trans	-149.2	153.4	-169.7	-172.5	0	0	0	0	111	K119 N123 F209 Y210	K119-S121 PolarHBondContact O-N 2.95Å; S121-N123 PolarHBondContact OG-N 3.12Å; S121-N123 VanDerWaalsContact OG-N 3.13Å; S121-F209 VanDerWaalsContact O-CE2 3.25Å; S121-F209 WeakPolarHBondContact O-CE2 3.23Å; S121-Y210 PolarHBondContact N-O 3.25Å; S121-Y210 VanDerWaalsContact O-O 3.12Å
122	I	92.9	Very high	95.2	Very high	140 Å²	140	65.9 Å²	65.9	72%	0.718	34%	0.34	S	S	*	.	S	Bend	trans	-73.1	-21.8	168	60.7	171.5	0	0	0	111.9	P212	I122-P212 HydrophobicContact CG2-CG 4.47Å
123	N	95.4	Very high	95.3	Very high	114 Å²	114	65.7 Å²	65.7	61%	0.61	34%	0.341	S	S	*	.	S	Bend	trans	-83.4	146.7	175.9	-62.2	-24	0	0	0	110.1	S121	S121-N123 PolarHBondContact OG-N 3.12Å; S121-N123 VanDerWaalsContact OG-N 3.13Å
124	Y	97.1	Very high	95.4	Very high	114 Å²	114	65.6 Å²	65.6	45%	0.447	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-77.3	148.6	175.7	-53.5	-33.7	0	0	0	111.8	V155 F209	Y124-V155 HydrophobicContact CD1-CG2 3.8Å; Y124-V155 HydrophobicContact CD2-CG1 3.96Å; Y124-V155 HydrophobicContact CD2-CG2 4.21Å; Y124-V155 HydrophobicContact CE1-CG2 3.51Å; Y124-V155 HydrophobicContact CE2-CG1 3.76Å; Y124-V155 HydrophobicContact CE2-CG2 3.93Å; Y124-V155 HydrophobicContact CG-CG2 4.15Å; Y124-F209 HydrophobicContact CD1-CB 4Å; Y124-F209 AromaticContact CD1-CD2 3.94Å; Y124-F209 HydrophobicContact CD1-CD2 3.94Å; Y124-F209 HydrophobicContact CD1-CG 4.37Å; Y124-F209 HydrophobicContact CE1-CB 3.99Å; Y124-F209 AromaticContact CE1-CD2 3.85Å; Y124-F209 HydrophobicContact CE1-CD2 3.85Å; Y124-F209 HydrophobicContact CE1-CG 4.15Å
125	Y	97.9	Very high	95.6	Very high	39 Å²	39	62.4 Å²	62.4	15%	0.153	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	171.4	166	-69.8	-88.3	0	0	0	109.3	I118 K119 D129 F130 P207 V208 Y210	I118-Y125 HydrophobicContact CG1-CE1 4.48Å; I118-Y125 HydrophobicContact CG2-CE1 4.24Å; K119-Y125 PolarHBondContact N-OH 3.08Å; K119-Y125 WeakPolarHBondContact O-CE2 3.48Å; K119-Y125 PolarHBondContact O-OH 3.06Å; Y125-D129 HydrophobicContact CD1-CB 4.38Å; Y125-F130 HydrophobicContact CD2-CE2 4.08Å; Y125-F130 HydrophobicContact CD2-CZ 4.25Å; Y125-F130 AromaticContact CG-CE2 3.86Å; Y125-F130 HydrophobicContact CG-CE2 3.86Å; Y125-F130 HydrophobicContact CG-CZ 4.39Å; Y125-P207 CarbonylContact O-C 3.45Å; Y125-P207 VanDerWaalsContact O-CA 3.3Å; Y125-P207 WeakPolarHBondContact O-CA 3.4Å; Y125-V208 PolarHBondContact N-O 2.96Å; Y125-V208 PolarHBondContact O-N 3.46Å; Y125-Y210 HydrophobicContact CE2-CD1 4.2Å
126	Q	98.3	Very high	95.7	Very high	89 Å²	89	64 Å²	64	42%	0.416	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.3	159.1	-62	-61	-40.7	0	0	109.4	A128 D129 G206	Q126-A128 HydrophobicContact CB-CB 4.44Å; Q126-A128 PolarHBondContact O-N 3.12Å; Q126-D129 PolarHBondContact N-OD2 3.36Å; Q126-D129 VanDerWaalsContact O-CB 3.27Å; Q126-D129 WeakPolarHBondContact O-CB 2.8Å; Q126-D129 PolarHBondContact O-N 3.13Å; Q126-G206 WeakPolarHBondContact CA-O 3.43Å; Q126-G206 VanDerWaalsContact OE1-CA 3.23Å; Q126-G206 PolarHBondContact OE1-O 2.99Å
127	V	97.5	Very high	95.8	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.012	33%	0.329	C	S	.	.	H	α-helix	trans	-56.3	-32.8	172.5	170.8	0	0	0	0	111.4	D129 F130 K131 C203 E204 G206 V208	V127-D129 VanDerWaalsContact C-N 3.29Å; V127-D129 PolarHBondContact O-N 2.68Å; V127-F130 PolarHBondContact O-N 3.49Å; V127-K131 HydrophobicContact CG1-CD 3.93Å; V127-K131 VanDerWaalsContact CG1-CE 3.44Å; V127-K131 HydrophobicContact CG1-CG 4.13Å; V127-K131 PolarHBondContact O-N 2.94Å; V127-C203 HydrophobicContact CG1-CB 4.03Å; V127-C203 HydrophobicContact CG2-CB 3.85Å; V127-E204 VanDerWaalsContact CG2-O 3.31Å; V127-E204 WeakPolarHBondContact CG2-O 3.38Å; V127-G206 PolarHBondContact N-O 3.38Å; V127-V208 HydrophobicContact CG2-CB 3.72Å; V127-V208 HydrophobicContact CG2-CG1 3.75Å; V127-V208 HydrophobicContact CG2-CG2 4.4Å
128	A	97.6	Very high	95.6	Very high	40 Å²	40	62.9 Å²	62.9	33%	0.331	31%	0.311	S	S	.	.	H	α-helix	trans	-59	-35.5	173.5	0	0	0	0	0	113	Q126 F130 K131 D132	Q126-A128 HydrophobicContact CB-CB 4.44Å; Q126-A128 PolarHBondContact O-N 3.12Å; A128-F130 PolarHBondContact O-N 3.18Å; A128-K131 PolarHBondContact O-N 2.8Å; A128-D132 VanDerWaalsContact O-CB 3.29Å; A128-D132 WeakPolarHBondContact O-CB 3.07Å; A128-D132 PolarHBondContact O-N 2.81Å
129	D	97.5	Very high	95.6	Very high	72 Å²	72	65.5 Å²	65.5	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-58.6	-38.8	178.4	-60.8	-33.2	0	0	0	111.1	I118 Y125 Q126 V127 A133	I118-D129 WeakPolarHBondContact CD1-O 3.38Å; Y125-D129 HydrophobicContact CD1-CB 4.38Å; Q126-D129 PolarHBondContact N-OD2 3.36Å; Q126-D129 VanDerWaalsContact O-CB 3.27Å; Q126-D129 WeakPolarHBondContact O-CB 2.8Å; Q126-D129 PolarHBondContact O-N 3.13Å; V127-D129 VanDerWaalsContact C-N 3.29Å; V127-D129 PolarHBondContact O-N 2.68Å; D129-A133 WeakPolarHBondContact O-CB 3.3Å; D129-A133 PolarHBondContact O-N 2.03Å
130	F	95.9	Very high	95.4	Very high	1 Å²	1	60 Å²	60	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-76.4	-51.2	174.6	-68.7	-96.5	0	0	0	111.8	L10 L113 I118 Y125 V127 A128 D132 L134 I144 I158 I161 V208 Y210	L10-F130 HydrophobicContact CD1-CE1 3.75Å; L113-F130 HydrophobicContact CD2-CD1 3.96Å; L113-F130 HydrophobicContact CD2-CE1 4.24Å; I118-F130 HydrophobicContact CG2-CD1 3.88Å; I118-F130 HydrophobicContact CG2-CE1 3.26Å; I118-F130 HydrophobicContact CG2-CE2 4.13Å; I118-F130 HydrophobicContact CG2-CZ 3.41Å; I118-F130 VanDerWaalsContact CG2-CZ 3.41Å; Y125-F130 HydrophobicContact CD2-CE2 4.08Å; Y125-F130 HydrophobicContact CD2-CZ 4.25Å; Y125-F130 AromaticContact CG-CE2 3.86Å; Y125-F130 HydrophobicContact CG-CE2 3.86Å; Y125-F130 HydrophobicContact CG-CZ 4.39Å; V127-F130 PolarHBondContact O-N 3.49Å; A128-F130 PolarHBondContact O-N 3.18Å; F130-D132 PolarHBondContact O-N 3.33Å; F130-L134 VanDerWaalsContact O-CB 3.25Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 WeakPolarHBondContact O-CG 3.14Å; F130-L134 PolarHBondContact O-N 3.24Å; F130-I144 HydrophobicContact CB-CD1 3.39Å; F130-I144 HydrophobicContact CG-CD1 4.45Å; F130-I158 HydrophobicContact CD1-CD1 3.73Å; F130-I158 HydrophobicContact CD2-CD1 4.37Å; F130-I158 HydrophobicContact CE1-CD1 3.72Å; F130-I158 HydrophobicContact CE2-CD1 4.35Å; F130-I158 HydrophobicContact CG-CD1 4.07Å; F130-I158 HydrophobicContact CZ-CD1 4.05Å; F130-I161 HydrophobicContact CD1-CD1 4.48Å; F130-V208 HydrophobicContact CD2-CG1 4.26Å; F130-V208 HydrophobicContact CE2-CG1 4.03Å; F130-Y210 HydrophobicContact CE1-CD1 4.12Å; F130-Y210 HydrophobicContact CE1-CE1 4.45Å; F130-Y210 AromaticContact CZ-CD1 3.73Å; F130-Y210 HydrophobicContact CZ-CD1 3.73Å; F130-Y210 HydrophobicContact CZ-CE1 4.48Å; F130-Y210 AromaticContact CZ-CG 3.99Å; F130-Y210 HydrophobicContact CZ-CG 3.99Å
131	K	94.4	Very high	95.1	Very high	48 Å²	48	63.1 Å²	63.1	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-56.8	-51.4	-176.1	-74	-179.7	-178.6	165.7	0	110.9	V127 A128 A135 I144 D205	V127-K131 HydrophobicContact CG1-CD 3.93Å; V127-K131 VanDerWaalsContact CG1-CE 3.44Å; V127-K131 HydrophobicContact CG1-CG 4.13Å; V127-K131 PolarHBondContact O-N 2.94Å; A128-K131 PolarHBondContact O-N 2.8Å; K131-A135 WeakPolarHBondContact O-CB 3.28Å; K131-A135 PolarHBondContact O-N 2.84Å; K131-I144 HydrophobicContact CB-CD1 4.36Å; K131-I144 HydrophobicContact CG-CD1 3.54Å; K131-I144 HydrophobicContact CG-CG1 4.1Å; K131-D205 IonicContact NZ-OD1 3.5Å; K131-D205 PolarHBondContact NZ-OD1 2.97Å
132	D	96.4	Very high	94.9	Very high	109 Å²	109	62.2 Å²	62.2	58%	0.583	33%	0.325	S	S	*	.	H	α-helix	trans	-71.7	-41.2	-173.4	-64.4	-15.3	0	0	0	111.8	A128 F130 A135 R136	A128-D132 VanDerWaalsContact O-CB 3.29Å; A128-D132 WeakPolarHBondContact O-CB 3.07Å; A128-D132 PolarHBondContact O-N 2.81Å; F130-D132 PolarHBondContact O-N 3.33Å; D132-A135 PolarHBondContact O-N 2.78Å; D132-R136 VanDerWaalsContact O-CB 3.32Å; D132-R136 WeakPolarHBondContact O-CB 3.49Å; D132-R136 PolarHBondContact O-N 3.4Å
133	A	95.2	Very high	94.6	Very high	19 Å²	19	58.9 Å²	58.9	16%	0.157	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-41.1	-179	0	0	0	0	0	111.7	L116 I118 D129 R136 V137	L116-A133 HydrophobicContact CD1-CB 3.67Å; L116-A133 HydrophobicContact CD2-CB 4.44Å; L116-A133 HydrophobicContact CG-CB 4.48Å; I118-A133 HydrophobicContact CD1-CB 3.91Å; D129-A133 WeakPolarHBondContact O-CB 3.3Å; D129-A133 PolarHBondContact O-N 2.03Å; A133-R136 PolarHBondContact O-N 3.5Å; A133-V137 WeakPolarHBondContact O-CG2 3.29Å; A133-V137 PolarHBondContact O-N 2.92Å
134	L	92.7	Very high	94.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.9	-39.4	175.7	-64.4	-179.8	0	0	0	111.8	L109 V112 L113 F130 R136 V137 Y138 P142 I161	L109-L134 HydrophobicContact CD1-CD1 4.13Å; L109-L134 HydrophobicContact CD1-CD2 3.54Å; L109-L134 HydrophobicContact CD1-CG 4.49Å; V112-L134 HydrophobicContact CG1-CD2 4Å; L113-L134 HydrophobicContact CD2-CD1 4.46Å; L113-L134 HydrophobicContact CD2-CD2 3.76Å; L113-L134 HydrophobicContact CD2-CG 4.28Å; L113-L134 HydrophobicContact CG-CD2 4.22Å; F130-L134 VanDerWaalsContact O-CB 3.25Å; F130-L134 WeakPolarHBondContact O-CB 3.48Å; F130-L134 WeakPolarHBondContact O-CG 3.14Å; F130-L134 PolarHBondContact O-N 3.24Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.32Å; L134-V137 PolarHBondContact O-N 2.82Å; L134-Y138 HydrophobicContact CB-CD2 4.25Å; L134-Y138 HydrophobicContact CD2-CD2 4.41Å; L134-Y138 HydrophobicContact CD2-CE2 3.91Å; L134-Y138 WeakPolarHBondContact O-CB 3.02Å; L134-Y138 WeakPolarHBondContact O-CD2 3.38Å; L134-Y138 PolarHBondContact O-N 3.06Å; L134-P142 HydrophobicContact CB-CG 3.84Å; L134-P142 HydrophobicContact CD1-CB 4.49Å; L134-P142 HydrophobicContact CD1-CG 4.1Å; L134-I161 HydrophobicContact CD1-CD1 4.05Å; L134-I161 HydrophobicContact CD1-CG2 4Å
135	A	95.3	Very high	93.9	Very high	18 Å²	18	49 Å²	49	15%	0.149	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-40.6	173.6	0	0	0	0	0	112.2	K131 D132 V137 G139 V140 I141	K131-A135 WeakPolarHBondContact O-CB 3.28Å; K131-A135 PolarHBondContact O-N 2.84Å; D132-A135 PolarHBondContact O-N 2.78Å; A135-V137 VanDerWaalsContact C-N 3.35Å; A135-V137 PolarHBondContact O-N 2.9Å; A135-G139 VanDerWaalsContact O-CA 3.23Å; A135-G139 WeakPolarHBondContact O-CA 3.36Å; A135-G139 PolarHBondContact O-N 2.91Å; A135-V140 WeakPolarHBondContact CA-O 3.31Å; A135-I141 HydrophobicContact CB-CD1 3.63Å
136	R	97	Very high	93.5	Very high	224 Å²	224	47.2 Å²	47.2	85%	0.845	25%	0.253	S	S	*	.	H	α-helix	trans	-65.2	-36.1	176.4	-176.6	177.7	178.9	-175.4	0.9	113	D132 A133 L134	D132-R136 VanDerWaalsContact O-CB 3.32Å; D132-R136 WeakPolarHBondContact O-CB 3.49Å; D132-R136 PolarHBondContact O-N 3.4Å; A133-R136 PolarHBondContact O-N 3.5Å; L134-R136 VanDerWaalsContact C-N 3.29Å; L134-R136 PolarHBondContact O-N 3.32Å
137	V	95.9	Very high	93.2	Very high	69 Å²	69	46.5 Å²	46.5	42%	0.418	25%	0.252	S	S	.	.	H	α-helix	trans	-80.8	-44.3	-178	172	0	0	0	0	111.7	V112 L116 A133 L134 A135	V112-V137 HydrophobicContact CG1-CB 4.14Å; V112-V137 HydrophobicContact CG1-CG1 3.82Å; V112-V137 HydrophobicContact CG1-CG2 4.05Å; V112-V137 HydrophobicContact CG2-CG1 4.02Å; L116-V137 HydrophobicContact CD1-CG2 4.01Å; A133-V137 WeakPolarHBondContact O-CG2 3.29Å; A133-V137 PolarHBondContact O-N 2.92Å; L134-V137 PolarHBondContact O-N 2.82Å; A135-V137 VanDerWaalsContact C-N 3.35Å; A135-V137 PolarHBondContact O-N 2.9Å
138	Y	91.9	Very high	93	Very high	26 Å²	26	50.1 Å²	50.1	10%	0.102	28%	0.275	C	S	.	.	H	α-helix	trans	-94.8	-10.7	-173.9	-64.6	-54.1	0	0	0	113.9	L107 L109 V112 L134 V140 L163 L172	L107-Y138 HydrophobicContact CB-CE1 4.34Å; L107-Y138 HydrophobicContact CD2-CD1 4.03Å; L107-Y138 HydrophobicContact CD2-CE1 3.83Å; L107-Y138 WeakPolarHBondContact O-CE1 3.45Å; L107-Y138 PolarHBondContact O-OH 2.83Å; L109-Y138 VanDerWaalsContact CA-OH 3.28Å; L109-Y138 WeakPolarHBondContact CA-OH 3.4Å; L109-Y138 HydrophobicContact CD1-CE2 3.96Å; V112-Y138 HydrophobicContact CG1-CE2 4.5Å; L134-Y138 HydrophobicContact CB-CD2 4.25Å; L134-Y138 HydrophobicContact CD2-CD2 4.41Å; L134-Y138 HydrophobicContact CD2-CE2 3.91Å; L134-Y138 WeakPolarHBondContact O-CB 3.02Å; L134-Y138 WeakPolarHBondContact O-CD2 3.38Å; L134-Y138 PolarHBondContact O-N 3.06Å; Y138-V140 PolarHBondContact O-N 3.3Å; Y138-L163 HydrophobicContact CD2-CD1 3.89Å; Y138-L163 HydrophobicContact CD2-CD2 3.91Å; Y138-L163 HydrophobicContact CE2-CD1 3.76Å; Y138-L163 HydrophobicContact CG-CD1 4.36Å; Y138-L163 HydrophobicContact CG-CD2 4.36Å; Y138-L172 HydrophobicContact CD1-CD1 3.86Å; Y138-L172 HydrophobicContact CG-CD1 4.23Å
139	G	95.5	Very high	92.7	Very high	65 Å²	65	51.3 Å²	51.3	67%	0.67	28%	0.279	S	S	*	.	S	Bend	trans	70	8.5	-178.2	0	0	0	0	0	114.3	A135	A135-G139 VanDerWaalsContact O-CA 3.23Å; A135-G139 WeakPolarHBondContact O-CA 3.36Å; A135-G139 PolarHBondContact O-N 2.91Å
140	V	90.8	Very high	92.2	Very high	11 Å²	11	51 Å²	51	7%	0.067	28%	0.283	C	S	.	.	S	Bend	trans	-137.9	151.5	-178.6	-61.1	0	0	0	0	110.5	A135 Y138 P142 L163 L172 N174	A135-V140 WeakPolarHBondContact CA-O 3.31Å; Y138-V140 PolarHBondContact O-N 3.3Å; V140-P142 WeakPolarHBondContact O-CD 3.07Å; V140-L163 HydrophobicContact CG2-CD2 4.09Å; V140-L172 HydrophobicContact CG1-CB 4.09Å; V140-L172 HydrophobicContact CG2-CB 4.07Å; V140-L172 HydrophobicContact CG2-CD2 3.95Å; V140-L172 HydrophobicContact CG2-CG 4.47Å; V140-N174 WeakPolarHBondContact CA-OD1 3.39Å
141	I	88.7	Confident	91.4	Very high	102 Å²	102	60.5 Å²	60.5	52%	0.523	33%	0.327	S	S	.	.			trans	-81.7	115.3	-179.3	-53	-53.7	0	0	0	109.7	A135 N174	A135-I141 HydrophobicContact CB-CD1 3.63Å; I141-N174 PolarHBondContact N-OD1 3.15Å
142	P	88.9	Confident	90.9	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.032	36%	0.357	C	S	.	.			trans	-72.8	152.7	174.8	32.9	-36.7	0	0	0	110.6	L134 V140 I144 I161 E162 L163	L134-P142 HydrophobicContact CB-CG 3.84Å; L134-P142 HydrophobicContact CD1-CB 4.49Å; L134-P142 HydrophobicContact CD1-CG 4.1Å; V140-P142 WeakPolarHBondContact O-CD 3.07Å; P142-I144 HydrophobicContact CG-CG1 4.41Å; P142-I161 HydrophobicContact CB-CG2 4.17Å; P142-E162 WeakPolarHBondContact CA-O 3.48Å; P142-L163 HydrophobicContact CB-CD2 3.89Å
143	K	87.4	Confident	90.5	Very high	69 Å²	69	64.6 Å²	64.6	30%	0.3	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.8	165.2	176.1	172	157.1	-130.6	0	108.8	Q145 E162 V202	K143-Q145 HydrophobicContact CG-CG 4.41Å; K143-E162 HydrophobicContact CB-CB 4.21Å; K143-E162 WeakPolarHBondContact CD-OE2 3.08Å; K143-E162 WeakPolarHBondContact CE-OE2 3.36Å; K143-E162 PolarHBondContact N-O 2.76Å; K143-E162 IonicContact NZ-OE1 2.77Å; K143-E162 IonicContact NZ-OE2 3.36Å; K143-E162 PolarHBondContact NZ-OE2 3.5Å; K143-E162 PolarHBondContact O-N 2.88Å; K143-V202 HydrophobicContact CD-CG2 4.49Å
144	I	88.2	Confident	90.2	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.015	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	127.6	-179.6	-46.3	-170.9	0	0	0	108.1	F130 K131 P142 I158 I161 C203	F130-I144 HydrophobicContact CB-CD1 3.39Å; F130-I144 HydrophobicContact CG-CD1 4.45Å; K131-I144 HydrophobicContact CB-CD1 4.36Å; K131-I144 HydrophobicContact CG-CD1 3.54Å; K131-I144 HydrophobicContact CG-CG1 4.1Å; P142-I144 HydrophobicContact CG-CG1 4.41Å; I144-I158 HydrophobicContact CG2-CD1 3.56Å; I144-I158 HydrophobicContact CG2-CG1 3.74Å; I144-I161 HydrophobicContact CG2-CG1 4.33Å; I144-C203 VanDerWaalsContact C-SG 3.59Å; I144-C203 WeakPolarHBondContact CG2-SG 3.47Å; I144-C203 PolarHBondContact O-N 2.92Å; I144-C203 PolarHBondContact O-SG 3Å
145	Q	87.9	Confident	90.3	Very high	17 Å²	17	72.8 Å²	72.8	8%	0.079	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.3	179.4	-62.7	174.5	-47.8	0	0	111.5	K143 G159 Q160 E162 L200 R201	K143-Q145 HydrophobicContact CG-CG 4.41Å; Q145-G159 PolarHBondContact O-N 3.5Å; Q145-Q160 HydrophobicContact CB-CB 4.26Å; Q145-Q160 PolarHBondContact N-O 3.33Å; Q145-Q160 PolarHBondContact O-N 3.47Å; Q145-E162 PolarHBondContact OE1-OE1 2.92Å; Q145-E162 VanDerWaalsContact OE1-OE1 3.07Å; Q145-L200 HydrophobicContact CB-CB 4.2Å; Q145-R201 CarbonylContact C-O 3.27Å; Q145-R201 WeakPolarHBondContact CA-O 3.04Å; Q145-R201 WeakPolarHBondContact CB-O 3.35Å
146	C	91.3	Very high	90.3	Very high	3 Å²	3	73 Å²	73	2%	0.02	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.5	-176.1	-71.9	0	0	0	0	110.9	Q156 T157 L200 R201 C203	C146-Q156 HydrophobicContact CB-CB 3.93Å; C146-Q156 HydrophobicContact CB-CG 4.08Å; C146-Q156 PolarHBondContact SG-OE1 3.1Å; C146-Q156 VanDerWaalsContact SG-OE1 3.39Å; C146-T157 CarbonylContact C-O 3.59Å; C146-T157 WeakPolarHBondContact CA-O 3.49Å; C146-T157 WeakPolarHBondContact CB-O 3.3Å; C146-L200 WeakPolarHBondContact O-CA 3.37Å; C146-R201 PolarHBondContact N-O 3.23Å; C146-R201 PolarHBondContact O-N 2.75Å; C146-C203 HydrophobicContact CB-CB 3.92Å; C146-C203 WeakPolarHBondContact CB-SG 3.45Å; C146-C203 PolarHBondContact N-SG 2.92Å; C146-C203 WeakPolarHBondContact SG-CB 3.39Å; C146-C203 CovalentContact SG-SG 2.03Å; C146-C203 PolarHBondContact SG-SG 2.85Å
147	L	91.6	Very high	90.2	Very high	74 Å²	74	63.2 Å²	63.2	39%	0.387	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.2	159.2	-66.5	173.6	0	0	0	107.9	Q156 T157 L200	L147-Q156 WeakPolarHBondContact O-CA 3.28Å; L147-Q156 WeakPolarHBondContact O-CB 3.41Å; L147-T157 PolarHBondContact N-O 3.21Å; L147-T157 PolarHBondContact O-N 3.31Å; L147-L200 HydrophobicContact CD2-CD2 3.79Å; L147-L200 HydrophobicContact CD2-CG 4.03Å; L147-L200 HydrophobicContact CG-CD2 3.78Å
148	P	92	Very high	90.1	Very high	77 Å²	77	60.3 Å²	60.3	50%	0.5	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-62.6	153.7	172.6	28.8	-34.4	0	0	0	110	S150 G199	P148-S150 PolarHBondContact O-N 2.94Å; P148-G199 WeakPolarHBondContact CD-O 3.13Å
149	P	92.1	Very high	89.9	Confident	65 Å²	65	60.4 Å²	60.4	42%	0.422	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-56.1	131.8	176.7	20.4	-29.5	0	0	0	111	E153	P149-E153 HydrophobicContact CB-CB 4.04Å; P149-E153 WeakPolarHBondContact CB-O 3.4Å
150	S	87.4	Confident	89.4	Confident	65 Å²	65	58.9 Å²	58.9	46%	0.455	32%	0.315	S	S	.	.			trans	-75.2	174.6	165.9	61.7	0	0	0	0	111.1	P148 D152 E153	P148-S150 PolarHBondContact O-N 2.94Å; S150-D152 PolarHBondContact O-N 3.03Å; S150-E153 WeakPolarHBondContact CB-OE2 3.33Å; S150-E153 PolarHBondContact N-OE2 3.18Å; S150-E153 PolarHBondContact O-N 2.83Å; S150-E153 WeakPolarHBondContact OG-CG 3.47Å; S150-E153 PolarHBondContact OG-OE2 3.16Å
151	Q	79.3	Confident	89.3	Confident	201 Å²	201	58.5 Å²	58.5	94%	0.939	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.7	-172.8	-74.6	-176.3	-9.5	0	0	114.6
152	D	84.3	Confident	89.2	Confident	157 Å²	157	55.6 Å²	55.6	84%	0.84	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	6.1	-178.1	-58.6	-48.8	0	0	0	113.4	S150	S150-D152 PolarHBondContact O-N 3.03Å
153	E	87.4	Confident	89.1	Confident	86 Å²	86	56.2 Å²	56.2	40%	0.402	30%	0.299	S	S	.	.			trans	-112.3	137.5	-178.6	-69.3	170.6	152.5	0	0	110.6	P149 S150	P149-E153 HydrophobicContact CB-CB 4.04Å; P149-E153 WeakPolarHBondContact CB-O 3.4Å; S150-E153 WeakPolarHBondContact CB-OE2 3.33Å; S150-E153 PolarHBondContact N-OE2 3.18Å; S150-E153 PolarHBondContact O-N 2.83Å; S150-E153 WeakPolarHBondContact OG-CG 3.47Å; S150-E153 PolarHBondContact OG-OE2 3.16Å
154	E	88.3	Confident	89.1	Confident	171 Å²	171	54.7 Å²	54.7	80%	0.799	30%	0.297	S	S	*	.	S	Bend	trans	-88	-23.9	-178.3	-63.3	-176.3	175.8	0	0	112.9
155	V	95.5	Very high	89.1	Confident	20 Å²	20	56 Å²	56	12%	0.121	30%	0.304	C	S	.	.	S	Bend	trans	-133.6	155.3	-172.5	-56.6	0	0	0	0	111.1	Y124 P207 F209	Y124-V155 HydrophobicContact CD1-CG2 3.8Å; Y124-V155 HydrophobicContact CD2-CG1 3.96Å; Y124-V155 HydrophobicContact CD2-CG2 4.21Å; Y124-V155 HydrophobicContact CE1-CG2 3.51Å; Y124-V155 HydrophobicContact CE2-CG1 3.76Å; Y124-V155 HydrophobicContact CE2-CG2 3.93Å; Y124-V155 HydrophobicContact CG-CG2 4.15Å; V155-P207 HydrophobicContact CB-CB 4.44Å; V155-P207 HydrophobicContact CG1-CB 3.8Å; V155-F209 HydrophobicContact CG2-CB 3.78Å
156	Q	96.1	Very high	89.1	Confident	23 Å²	23	56.8 Å²	56.8	11%	0.107	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	152.3	171.7	67.9	-168.8	-51	0	0	111.7	C146 L147 C203 E204 P207 V208 F209	C146-Q156 HydrophobicContact CB-CB 3.93Å; C146-Q156 HydrophobicContact CB-CG 4.08Å; C146-Q156 PolarHBondContact SG-OE1 3.1Å; C146-Q156 VanDerWaalsContact SG-OE1 3.39Å; L147-Q156 WeakPolarHBondContact O-CA 3.28Å; L147-Q156 WeakPolarHBondContact O-CB 3.41Å; Q156-C203 VanDerWaalsContact OE1-CB 3.32Å; Q156-E204 PolarHBondContact NE2-O 3.03Å; Q156-P207 PolarHBondContact NE2-O 3.13Å; Q156-V208 HydrophobicContact CG-CB 4.16Å; Q156-V208 HydrophobicContact CG-CG2 4.06Å; Q156-V208 WeakPolarHBondContact O-CA 3.21Å; Q156-F209 PolarHBondContact O-N 2.9Å
157	T	94.7	Very high	88.7	Confident	18 Å²	18	61 Å²	61	11%	0.11	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.5	179.4	-65.6	0	0	0	0	110.4	C146 L147 G159 F209 P211	C146-T157 CarbonylContact C-O 3.59Å; C146-T157 WeakPolarHBondContact CA-O 3.49Å; C146-T157 WeakPolarHBondContact CB-O 3.3Å; L147-T157 PolarHBondContact N-O 3.21Å; L147-T157 PolarHBondContact O-N 3.31Å; T157-G159 PolarHBondContact O-N 2.92Å; T157-F209 WeakPolarHBondContact CA-O 3.25Å; T157-F209 HydrophobicContact CG2-CD1 4.31Å; T157-P211 HydrophobicContact CG2-CG 3.86Å
158	I	92.7	Very high	88.5	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	130.6	176.3	-167.3	170.4	0	0	0	110.2	L10 F130 I144 I161 V208 F209 Y210	L10-I158 HydrophobicContact CD1-CD1 4.44Å; L10-I158 HydrophobicContact CD2-CD1 3.93Å; L10-I158 HydrophobicContact CD2-CG1 3.91Å; L10-I158 HydrophobicContact CD2-CG2 3.96Å; F130-I158 HydrophobicContact CD1-CD1 3.73Å; F130-I158 HydrophobicContact CD2-CD1 4.37Å; F130-I158 HydrophobicContact CE1-CD1 3.72Å; F130-I158 HydrophobicContact CE2-CD1 4.35Å; F130-I158 HydrophobicContact CG-CD1 4.07Å; F130-I158 HydrophobicContact CZ-CD1 4.05Å; I144-I158 HydrophobicContact CG2-CD1 3.56Å; I144-I158 HydrophobicContact CG2-CG1 3.74Å; I158-I161 HydrophobicContact CD1-CD1 4.11Å; I158-I161 HydrophobicContact CD1-CG1 4.18Å; I158-V208 HydrophobicContact CB-CG2 3.81Å; I158-F209 WeakPolarHBondContact CG2-O 3.4Å; I158-F209 PolarHBondContact N-O 2.82Å; I158-Y210 HydrophobicContact CG2-CD2 3.8Å; I158-Y210 HydrophobicContact CG2-CG 4.1Å
159	G	87.5	Confident	88.2	Confident	28 Å²	28	63.9 Å²	63.9	29%	0.289	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-38	-176.5	0	0	0	0	0	114.3	Q145 T157	Q145-G159 PolarHBondContact O-N 3.5Å; T157-G159 PolarHBondContact O-N 2.92Å
160	Q	86.1	Confident	88.2	Confident	34 Å²	34	61.1 Å²	61.1	16%	0.159	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	140.4	-175.8	178.2	165	-57.6	0	0	111.1	C13 Q145 E162 L200	C13-Q160 HydrophobicContact CB-CG 4.39Å; Q145-Q160 HydrophobicContact CB-CB 4.26Å; Q145-Q160 PolarHBondContact N-O 3.33Å; Q145-Q160 PolarHBondContact O-N 3.47Å; Q160-E162 HydrophobicContact CG-CG 4.04Å; Q160-E162 PolarHBondContact NE2-OE1 3.43Å; Q160-L200 HydrophobicContact CB-CD1 3.97Å
161	I	87.9	Confident	88.3	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.5	171.3	-65.8	166.9	0	0	0	107.1	L10 L109 L113 F130 L134 P142 I144 I158	L10-I161 HydrophobicContact CB-CD1 4.49Å; L10-I161 HydrophobicContact CD1-CD1 4Å; L10-I161 HydrophobicContact CD2-CD1 4.06Å; L10-I161 HydrophobicContact CG-CD1 4.41Å; L109-I161 HydrophobicContact CD2-CB 4.1Å; L109-I161 HydrophobicContact CD2-CD1 4.05Å; L109-I161 HydrophobicContact CD2-CG2 4.11Å; L113-I161 HydrophobicContact CD1-CD1 4.35Å; F130-I161 HydrophobicContact CD1-CD1 4.48Å; L134-I161 HydrophobicContact CD1-CD1 4.05Å; L134-I161 HydrophobicContact CD1-CG2 4Å; P142-I161 HydrophobicContact CB-CG2 4.17Å; I144-I161 HydrophobicContact CG2-CG1 4.33Å; I158-I161 HydrophobicContact CD1-CD1 4.11Å; I158-I161 HydrophobicContact CD1-CG1 4.18Å
162	E	87.4	Confident	88.8	Confident	40 Å²	40	56.3 Å²	56.3	19%	0.187	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.2	178	-58.5	178.7	165.5	0	0	109.6	P142 K143 Q145 Q160	P142-E162 WeakPolarHBondContact CA-O 3.48Å; K143-E162 HydrophobicContact CB-CB 4.21Å; K143-E162 WeakPolarHBondContact CD-OE2 3.08Å; K143-E162 WeakPolarHBondContact CE-OE2 3.36Å; K143-E162 PolarHBondContact N-O 2.76Å; K143-E162 IonicContact NZ-OE1 2.77Å; K143-E162 IonicContact NZ-OE2 3.36Å; K143-E162 PolarHBondContact NZ-OE2 3.5Å; K143-E162 PolarHBondContact O-N 2.88Å; Q145-E162 PolarHBondContact OE1-OE1 2.92Å; Q145-E162 VanDerWaalsContact OE1-OE1 3.07Å; Q160-E162 HydrophobicContact CG-CG 4.04Å; Q160-E162 PolarHBondContact NE2-OE1 3.43Å
163	L	87.1	Confident	89	Confident	18 Å²	18	51.8 Å²	51.8	9%	0.094	26%	0.262	C	S	.	.			trans	-111.9	129.2	168.8	-71.1	166.5	0	0	0	107.9	L107 Y138 V140 P142 L172	L107-L163 HydrophobicContact CD1-CD1 4.14Å; L107-L163 HydrophobicContact CD2-CD1 4.25Å; Y138-L163 HydrophobicContact CD2-CD1 3.89Å; Y138-L163 HydrophobicContact CD2-CD2 3.91Å; Y138-L163 HydrophobicContact CE2-CD1 3.76Å; Y138-L163 HydrophobicContact CG-CD1 4.36Å; Y138-L163 HydrophobicContact CG-CD2 4.36Å; V140-L163 HydrophobicContact CG2-CD2 4.09Å; P142-L163 HydrophobicContact CB-CD2 3.89Å; L163-L172 HydrophobicContact CB-CD2 3.97Å; L163-L172 HydrophobicContact CD1-CD2 4.29Å; L163-L172 HydrophobicContact CD2-CD2 4.27Å; L163-L172 HydrophobicContact CG-CD2 4.41Å
164	C	87.3	Confident	89	Confident	38 Å²	38	51 Å²	51	26%	0.257	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.6	-179.9	-69.7	0	0	0	0	111.6	Q173 C175	C164-Q173 HydrophobicContact CB-CG 4.16Å; C164-Q173 WeakPolarHBondContact CB-O 3.42Å; C164-Q173 PolarHBondContact O-N 2.88Å; C164-Q173 VanDerWaalsContact O-O 3.14Å; C164-C175 HydrophobicContact CB-CB 3.92Å; C164-C175 WeakPolarHBondContact CB-SG 3.33Å; C164-C175 WeakPolarHBondContact SG-CA 3.27Å; C164-C175 WeakPolarHBondContact SG-CB 3.24Å; C164-C175 CovalentContact SG-SG 2.03Å; C164-C175 PolarHBondContact SG-SG 3.01Å
165	L	88	Confident	88.5	Confident	29 Å²	29	45.1 Å²	45.1	15%	0.152	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.5	-175.2	-58.4	173.4	0	0	0	109.8	L14 L16 L103 Q170 Q171 L172	L14-L165 HydrophobicContact CD2-CD1 3.72Å; L16-L165 HydrophobicContact CD2-CD1 4.05Å; L103-L165 HydrophobicContact CD1-CD1 3.57Å; L103-L165 HydrophobicContact CD2-CD1 3.97Å; L103-L165 HydrophobicContact CG-CD1 4.33Å; L165-Q170 HydrophobicContact CB-CB 4.33Å; L165-Q170 HydrophobicContact CD1-CB 4.26Å; L165-Q171 CarbonylContact C-O 3.45Å; L165-Q171 WeakPolarHBondContact CA-O 3.42Å; L165-L172 HydrophobicContact CD2-CD2 3.92Å; L165-L172 HydrophobicContact CD2-CG 4.23Å
166	T	87.1	Confident	87.4	Confident	34 Å²	34	49.5 Å²	49.5	21%	0.209	27%	0.265	C	S	.	.			trans	-60.9	144.6	172.1	57.8	0	0	0	0	110.5	Q168 D169 Q170 Q171 Q173	T166-Q168 PolarHBondContact O-N 3.42Å; T166-D169 VanDerWaalsContact CB-OD1 3.26Å; T166-D169 WeakPolarHBondContact CB-OD1 3.36Å; T166-D169 PolarHBondContact OG1-OD1 2.89Å; T166-Q170 VanDerWaalsContact O-CA 3.22Å; T166-Q170 WeakPolarHBondContact O-CA 3.31Å; T166-Q170 PolarHBondContact O-N 3.3Å; T166-Q170 VanDerWaalsContact O-N 3.09Å; T166-Q170 PolarHBondContact OG1-N 3.43Å; T166-Q171 HydrophobicContact CG2-CB 4.36Å; T166-Q171 PolarHBondContact N-O 3.03Å; T166-Q171 PolarHBondContact OG1-N 3.16Å; T166-Q171 PolarHBondContact OG1-O 3.41Å; T166-Q173 HydrophobicContact CG2-CB 4.19Å; T166-Q173 HydrophobicContact CG2-CG 4.3Å
167	K	83.6	Confident	85.4	Confident	93 Å²	93	54.2 Å²	54.2	40%	0.404	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-45.6	-172.7	177.4	165.2	-176	177.6	0	112.9	L18 V87 Q170	L18-K167 HydrophobicContact CD2-CB 4.04Å; L18-K167 HydrophobicContact CD2-CD 4Å; L18-K167 HydrophobicContact CD2-CG 3.65Å; V87-K167 WeakPolarHBondContact CG1-O 3.29Å; V87-K167 HydrophobicContact CG2-CD 4.36Å; V87-K167 HydrophobicContact CG2-CG 3.59Å; V87-K167 WeakPolarHBondContact CG2-O 3.24Å; K167-Q170 PolarHBondContact O-NE2 3.2Å
168	Q	85.9	Confident	82.9	Confident	123 Å²	123	59.9 Å²	59.9	58%	0.575	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-43.4	-166.7	-64.3	-61.1	-17.1	0	0	114	T166 Q170	T166-Q168 PolarHBondContact O-N 3.42Å; Q168-Q170 PolarHBondContact O-NE2 3.02Å
169	D	87.6	Confident	80.6	Confident	87 Å²	87	63.2 Å²	63.2	47%	0.465	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-3.8	-171	53.8	-27.9	0	0	0	113.4	T166 Q171	T166-D169 VanDerWaalsContact CB-OD1 3.26Å; T166-D169 WeakPolarHBondContact CB-OD1 3.36Å; T166-D169 PolarHBondContact OG1-OD1 2.89Å; D169-Q171 HydrophobicContact CB-CG 4.21Å; D169-Q171 PolarHBondContact O-N 3.44Å; D169-Q171 PolarHBondContact O-NE2 3.29Å; D169-Q171 WeakPolarHBondContact OD2-CG 3.2Å
170	Q	90.6	Very high	78.3	Confident	8 Å²	8	68 Å²	68	4%	0.037	38%	0.376	C	S	.	.			trans	52.6	41.6	177.3	-57	81.7	54.5	0	0	112.8	L16 L103 L165 T166 K167 Q168	L16-Q170 HydrophobicContact CD2-CG 4.23Å; L103-Q170 HydrophobicContact CD1-CB 4.11Å; L103-Q170 HydrophobicContact CD1-CG 4.4Å; L103-Q170 HydrophobicContact CD2-CB 4.16Å; L165-Q170 HydrophobicContact CB-CB 4.33Å; L165-Q170 HydrophobicContact CD1-CB 4.26Å; T166-Q170 VanDerWaalsContact O-CA 3.22Å; T166-Q170 WeakPolarHBondContact O-CA 3.31Å; T166-Q170 PolarHBondContact O-N 3.3Å; T166-Q170 VanDerWaalsContact O-N 3.09Å; T166-Q170 PolarHBondContact OG1-N 3.43Å; K167-Q170 PolarHBondContact O-NE2 3.2Å; Q168-Q170 PolarHBondContact O-NE2 3.02Å
171	Q	90.8	Very high	76	Confident	109 Å²	109	74.3 Å²	74.3	51%	0.509	41%	0.405	S	S	.	.			trans	-86	150.9	171.4	-62.4	-59.1	-44	0	0	109.9	L165 T166 D169 Q173	L165-Q171 CarbonylContact C-O 3.45Å; L165-Q171 WeakPolarHBondContact CA-O 3.42Å; T166-Q171 HydrophobicContact CG2-CB 4.36Å; T166-Q171 PolarHBondContact N-O 3.03Å; T166-Q171 PolarHBondContact OG1-N 3.16Å; T166-Q171 PolarHBondContact OG1-O 3.41Å; D169-Q171 HydrophobicContact CB-CG 4.21Å; D169-Q171 PolarHBondContact O-N 3.44Å; D169-Q171 PolarHBondContact O-NE2 3.29Å; D169-Q171 WeakPolarHBondContact OD2-CG 3.2Å; Q171-Q173 PolarHBondContact O-N 3.46Å
172	L	89.3	Confident	73.8	Confident	55 Å²	55	76.7 Å²	76.7	29%	0.288	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	132.5	179.6	-75	162.8	0	0	0	111.6	L107 Y138 V140 L163 L165	L107-L172 HydrophobicContact CD2-CD1 3.75Å; L107-L172 HydrophobicContact CD2-CD2 3.88Å; L107-L172 HydrophobicContact CD2-CG 4.05Å; Y138-L172 HydrophobicContact CD1-CD1 3.86Å; Y138-L172 HydrophobicContact CG-CD1 4.23Å; V140-L172 HydrophobicContact CG1-CB 4.09Å; V140-L172 HydrophobicContact CG2-CB 4.07Å; V140-L172 HydrophobicContact CG2-CD2 3.95Å; V140-L172 HydrophobicContact CG2-CG 4.47Å; L163-L172 HydrophobicContact CB-CD2 3.97Å; L163-L172 HydrophobicContact CD1-CD2 4.29Å; L163-L172 HydrophobicContact CD2-CD2 4.27Å; L163-L172 HydrophobicContact CG-CD2 4.41Å; L165-L172 HydrophobicContact CD2-CD2 3.92Å; L165-L172 HydrophobicContact CD2-CG 4.23Å
173	Q	87.4	Confident	71.5	Confident	62 Å²	62	77 Å²	77	29%	0.29	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163.1	170.5	65.1	166.1	84.3	0	0	111.2	C164 T166 Q171	C164-Q173 HydrophobicContact CB-CG 4.16Å; C164-Q173 WeakPolarHBondContact CB-O 3.42Å; C164-Q173 PolarHBondContact O-N 2.88Å; C164-Q173 VanDerWaalsContact O-O 3.14Å; T166-Q173 HydrophobicContact CG2-CB 4.19Å; T166-Q173 HydrophobicContact CG2-CG 4.3Å; Q171-Q173 PolarHBondContact O-N 3.46Å
174	N	87.8	Confident	69.3	Low	69 Å²	69	81 Å²	81	37%	0.369	45%	0.454	S	S	.	.			trans	-64.9	144.3	168.7	-70.6	-49.3	0	0	0	110.5	V140 I141 T176	V140-N174 WeakPolarHBondContact CA-OD1 3.39Å; I141-N174 PolarHBondContact N-OD1 3.15Å; N174-T176 PolarHBondContact O-N 3.48Å
175	C	77.7	Confident	67.2	Low	48 Å²	48	86.6 Å²	86.6	32%	0.324	47%	0.474	S	S	.	.	S	Bend	trans	-73.9	-10.7	177.8	-68.2	0	0	0	0	114.2	C164	C164-C175 HydrophobicContact CB-CB 3.92Å; C164-C175 WeakPolarHBondContact CB-SG 3.33Å; C164-C175 WeakPolarHBondContact SG-CA 3.27Å; C164-C175 WeakPolarHBondContact SG-CB 3.24Å; C164-C175 CovalentContact SG-SG 2.03Å; C164-C175 PolarHBondContact SG-SG 3.01Å
176	T	73.5	Confident	65	Low	112 Å²	112	88.6 Å²	88.6	69%	0.687	48%	0.483	S	S	*	.	S	Bend	trans	-124.9	128.9	175.5	18.5	0	0	0	0	108.5	N174	N174-T176 PolarHBondContact O-N 3.48Å
177	E	53.9	Low	62.6	Low	122 Å²	122	92.6 Å²	92.6	57%	0.57	50%	0.499	S	S	*	.			trans	-75.5	136.6	168.8	-63.2	-119.1	163.3	0	0	108.6	G179 E180	E177-G179 PolarHBondContact O-N 2.92Å; E177-E180 HydrophobicContact CB-CB 4.21Å; E177-E180 PolarHBondContact O-N 3.45Å
178	P	41.5	Very low	60.2	Low	138 Å²	138	92.2 Å²	92.2	90%	0.896	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	102	171.8	-17.5	29.4	0	0	0	110
179	G	45.4	Very low	57.9	Low	78 Å²	78	94.6 Å²	94.6	80%	0.804	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.7	-0.6	173.7	0	0	0	0	0	116.6	E177 Q181	E177-G179 PolarHBondContact O-N 2.92Å; G179-Q181 PolarHBondContact O-N 2.8Å
180	E	39.4	Very low	55.5	Low	129 Å²	129	96.5 Å²	96.5	60%	0.603	52%	0.518	S	S	*	.			trans	-88.6	98.7	176	-162.7	148.8	-163.7	0	0	110.8	E177	E177-E180 HydrophobicContact CB-CB 4.21Å; E177-E180 PolarHBondContact O-N 3.45Å
181	Q	37.7	Very low	52.8	Low	166 Å²	166	99.3 Å²	99.3	78%	0.776	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-61.4	135.6	166	-71	-70.8	-42	0	0	108.5	G179 S183	G179-Q181 PolarHBondContact O-N 2.8Å; Q181-S183 PolarHBondContact O-N 3.04Å; Q181-S183 VanDerWaalsContact O-N 3.09Å
182	P	40.1	Very low	50.3	Low	52 Å²	52	99.3 Å²	99.3	34%	0.338	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-57.9	122.9	175.6	23.9	-30.7	0	0	0	108.4	Q186 E187	P182-Q186 HydrophobicContact CB-CB 3.9Å; P182-E187 HydrophobicContact CB-CG 4.24Å; P182-E187 HydrophobicContact CG-CG 4.25Å
183	S	39.3	Very low	47.9	Very low	48 Å²	48	97.7 Å²	97.7	34%	0.336	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-56.4	153.5	171.9	63.1	0	0	0	0	109.6	Q181 K185 Q186 E187	Q181-S183 PolarHBondContact O-N 3.04Å; Q181-S183 VanDerWaalsContact O-N 3.09Å; S183-K185 CarbonylContact O-C 3.5Å; S183-K185 PolarHBondContact O-N 3.28Å; S183-Q186 WeakPolarHBondContact O-CA 3.35Å; S183-Q186 WeakPolarHBondContact O-CB 3.3Å; S183-Q186 PolarHBondContact O-N 3.14Å; S183-Q186 PolarHBondContact OG-N 2.91Å; S183-Q186 PolarHBondContact OG-OE1 3.38Å; S183-E187 PolarHBondContact O-N 3.28Å; S183-E187 VanDerWaalsContact O-N 3.13Å
184	P	40.5	Very low	45.6	Very low	101 Å²	101	96.3 Å²	96.3	66%	0.656	54%	0.542	S	S	*	.	H	α-helix	trans	-54.5	-20.5	176	-27.4	34.3	0	0	0	113.6	V188	P184-V188 VanDerWaalsContact O-CG2 3.3Å; P184-V188 WeakPolarHBondContact O-CG2 3.06Å; P184-V188 PolarHBondContact O-N 3.39Å
185	K	44.7	Very low	43.4	Very low	155 Å²	155	97.2 Å²	97.2	67%	0.674	56%	0.559	S	S	*	*	H	α-helix	trans	-77.7	-35.7	172	-67.1	-177	179.2	178.8	0	112.9	S183 W189	S183-K185 CarbonylContact O-C 3.5Å; S183-K185 PolarHBondContact O-N 3.28Å; K185-W189 VanDerWaalsContact O-CD1 3.27Å; K185-W189 PolarHBondContact O-N 2.81Å; K185-W189 VanDerWaalsContact O-N 3.13Å
186	Q	41.3	Very low	42.2	Very low	72 Å²	72	99.8 Å²	99.8	34%	0.336	57%	0.566	S	S	.	*	H	α-helix	trans	-67.8	-36.8	172.6	-83.3	158.6	-60	0	0	112	P182 S183 W189 L190	P182-Q186 HydrophobicContact CB-CB 3.9Å; S183-Q186 WeakPolarHBondContact O-CA 3.35Å; S183-Q186 WeakPolarHBondContact O-CB 3.3Å; S183-Q186 PolarHBondContact O-N 3.14Å; S183-Q186 PolarHBondContact OG-N 2.91Å; S183-Q186 PolarHBondContact OG-OE1 3.38Å; Q186-W189 PolarHBondContact O-N 2.82Å; Q186-L190 WeakPolarHBondContact O-CB 3.45Å; Q186-L190 VanDerWaalsContact O-CG 3.27Å; Q186-L190 WeakPolarHBondContact O-CG 3.43Å; Q186-L190 PolarHBondContact O-N 2.96Å
187	E	35.9	Very low	41.5	Very low	117 Å²	117	95.9 Å²	95.9	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-63.1	-42.4	174.2	-71.8	-176.1	147.3	0	0	112.3	P182 S183 W189 L190 A191	P182-E187 HydrophobicContact CB-CG 4.24Å; P182-E187 HydrophobicContact CG-CG 4.25Å; S183-E187 PolarHBondContact O-N 3.28Å; S183-E187 VanDerWaalsContact O-N 3.13Å; E187-W189 VanDerWaalsContact C-N 3.32Å; E187-W189 PolarHBondContact O-N 3.31Å; E187-L190 PolarHBondContact O-N 3.39Å; E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 3.46Å
188	V	34.2	Very low	42.4	Very low	86 Å²	86	96 Å²	96	52%	0.521	54%	0.539	S	S	.	.	H	α-helix	trans	-66.2	-33.5	175.6	173.8	0	0	0	0	111.9	P184 N192	P184-V188 VanDerWaalsContact O-CG2 3.3Å; P184-V188 WeakPolarHBondContact O-CG2 3.06Å; P184-V188 PolarHBondContact O-N 3.39Å; V188-N192 WeakPolarHBondContact O-CB 3.48Å; V188-N192 PolarHBondContact O-N 3.01Å; V188-N192 PolarHBondContact O-ND2 2.83Å
189	W	36.9	Very low	44.4	Very low	172 Å²	172	90.7 Å²	90.7	65%	0.652	51%	0.508	S	S	*	.	H	α-helix	trans	-73	-37.7	172.8	-91.5	84.8	0	0	0	113.3	K185 Q186 E187 A191 N192 G193	K185-W189 VanDerWaalsContact O-CD1 3.27Å; K185-W189 PolarHBondContact O-N 2.81Å; K185-W189 VanDerWaalsContact O-N 3.13Å; Q186-W189 PolarHBondContact O-N 2.82Å; E187-W189 VanDerWaalsContact C-N 3.32Å; E187-W189 PolarHBondContact O-N 3.31Å; W189-A191 VanDerWaalsContact C-N 3.27Å; W189-A191 PolarHBondContact O-N 2.94Å; W189-N192 PolarHBondContact O-N 3.39Å; W189-G193 WeakPolarHBondContact O-CA 3.12Å; W189-G193 PolarHBondContact O-N 2.87Å
190	L	37.4	Very low	46.2	Very low	127 Å²	127	88.2 Å²	88.2	67%	0.665	48%	0.477	S	S	*	.	H	α-helix	trans	-63.5	-35.7	173.8	-74.5	162.2	0	0	0	111.1	Q186 E187	Q186-L190 WeakPolarHBondContact O-CB 3.45Å; Q186-L190 VanDerWaalsContact O-CG 3.27Å; Q186-L190 WeakPolarHBondContact O-CG 3.43Å; Q186-L190 PolarHBondContact O-N 2.96Å; E187-L190 PolarHBondContact O-N 3.39Å
191	A	33.9	Very low	48.6	Very low	68 Å²	68	87.1 Å²	87.1	56%	0.562	47%	0.467	S	S	*	.	H	α-helix	trans	-71.4	-41	173.4	0	0	0	0	0	113.2	E187 W189 A194	E187-A191 WeakPolarHBondContact O-CB 3.48Å; E187-A191 PolarHBondContact O-N 3.46Å; W189-A191 VanDerWaalsContact C-N 3.27Å; W189-A191 PolarHBondContact O-N 2.94Å; A191-A194 WeakPolarHBondContact O-CB 3.47Å
192	N	39.4	Very low	51.1	Low	109 Å²	109	83 Å²	83	58%	0.583	45%	0.453	S	S	*	.	H	α-helix	trans	-82.9	-22.5	-179.3	-74.2	-23.6	0	0	0	114.2	V188 W189 A194 A195	V188-N192 WeakPolarHBondContact O-CB 3.48Å; V188-N192 PolarHBondContact O-N 3.01Å; V188-N192 PolarHBondContact O-ND2 2.83Å; W189-N192 PolarHBondContact O-N 3.39Å; N192-A194 PolarHBondContact O-N 3.34Å; N192-A194 VanDerWaalsContact O-N 3.16Å; N192-A195 PolarHBondContact O-N 3.11Å
193	G	38.3	Very low	53.6	Low	20 Å²	20	80.8 Å²	80.8	21%	0.206	44%	0.439	C	S	.	.	H	α-helix	trans	-67.1	-11.5	176.7	0	0	0	0	0	113.2	W189 A195 E196 S197	W189-G193 WeakPolarHBondContact O-CA 3.12Å; W189-G193 PolarHBondContact O-N 2.87Å; G193-A195 VanDerWaalsContact C-N 3.26Å; G193-A195 PolarHBondContact O-N 2.79Å; G193-E196 PolarHBondContact O-N 2.91Å; G193-S197 VanDerWaalsContact O-CB 3.27Å; G193-S197 WeakPolarHBondContact O-CB 3.33Å; G193-S197 PolarHBondContact O-N 2.97Å; G193-S197 PolarHBondContact O-OG 3.48Å
194	A	38.9	Very low	56.3	Low	34 Å²	34	85.3 Å²	85.3	28%	0.281	45%	0.454	S	S	.	.	H	α-helix	trans	-58.9	-34	175.7	0	0	0	0	0	113.5	A191 N192 S197 R201	A191-A194 WeakPolarHBondContact O-CB 3.47Å; N192-A194 PolarHBondContact O-N 3.34Å; N192-A194 VanDerWaalsContact O-N 3.16Å; A194-S197 PolarHBondContact O-OG 3.27Å; A194-R201 VanDerWaalsContact CB-NH2 3.3Å; A194-R201 PolarHBondContact O-NH1 2.74Å; A194-R201 PolarHBondContact O-NH2 3.26Å
195	A	40.8	Very low	59	Low	87 Å²	87	86.5 Å²	86.5	72%	0.719	46%	0.456	S	S	*	.	H	α-helix	trans	-82.2	-33.8	175.6	0	0	0	0	0	112.3	N192 G193	N192-A195 PolarHBondContact O-N 3.11Å; G193-A195 VanDerWaalsContact C-N 3.26Å; G193-A195 PolarHBondContact O-N 2.79Å
196	E	51.9	Low	61.4	Low	102 Å²	102	80 Å²	80	48%	0.477	43%	0.432	S	S	.	.	H	α-helix	trans	-77.5	-32.5	-178.9	-61.1	-158.4	135.2	0	0	113.6	K79 G193 R198	K79-E196 IonicContact NZ-OE1 3.75Å; K79-E196 PolarHBondContact NZ-OE1 3.45Å; K79-E196 IonicContact NZ-OE2 3.27Å; K79-E196 PolarHBondContact NZ-OE2 3.11Å; G193-E196 PolarHBondContact O-N 2.91Å; E196-R198 PolarHBondContact O-N 2.85Å
197	S	59.5	Low	64.1	Low	30 Å²	30	79.4 Å²	79.4	21%	0.21	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	3	177.5	51.7	0	0	0	0	113.8	G193 A194 G199 L200 R201	G193-S197 VanDerWaalsContact O-CB 3.27Å; G193-S197 WeakPolarHBondContact O-CB 3.33Å; G193-S197 PolarHBondContact O-N 2.97Å; G193-S197 PolarHBondContact O-OG 3.48Å; A194-S197 PolarHBondContact O-OG 3.27Å; S197-G199 PolarHBondContact O-N 3.3Å; S197-G199 VanDerWaalsContact O-N 3.1Å; S197-L200 WeakPolarHBondContact CB-O 3.5Å; S197-L200 VanDerWaalsContact O-CB 3.28Å; S197-L200 WeakPolarHBondContact O-CB 3.26Å; S197-L200 PolarHBondContact O-N 3.28Å; S197-L200 PolarHBondContact OG-O 3.2Å; S197-R201 PolarHBondContact OG-NH1 3.04Å
198	R	73.1	Confident	67.1	Low	126 Å²	126	73.9 Å²	73.9	48%	0.475	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	37.5	179.8	-62.1	-175.5	172.9	108.2	2.1	113.6	H64 E196	H64-R198 PolarHBondContact CE1-NH2 3.41Å; H64-R198 PolarHBondContact NE2-NH2 3.11Å; E196-R198 PolarHBondContact O-N 2.85Å
199	G	82.7	Confident	70	Confident	25 Å²	25	72.1 Å²	72.1	26%	0.258	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-5.5	-179.6	0	0	0	0	0	115.3	P148 S197 R201	P148-G199 WeakPolarHBondContact CD-O 3.13Å; S197-G199 PolarHBondContact O-N 3.3Å; S197-G199 VanDerWaalsContact O-N 3.1Å; G199-R201 PolarHBondContact O-N 3.45Å
200	L	83.6	Confident	72.8	Confident	26 Å²	26	64.6 Å²	64.6	14%	0.136	37%	0.366	C	S	.	.			trans	-67.4	131.9	172.5	-69.6	168.9	0	0	0	110.8	Q145 C146 L147 Q160 S197	Q145-L200 HydrophobicContact CB-CB 4.2Å; C146-L200 WeakPolarHBondContact O-CA 3.37Å; L147-L200 HydrophobicContact CD2-CD2 3.79Å; L147-L200 HydrophobicContact CD2-CG 4.03Å; L147-L200 HydrophobicContact CG-CD2 3.78Å; Q160-L200 HydrophobicContact CB-CD1 3.97Å; S197-L200 WeakPolarHBondContact CB-O 3.5Å; S197-L200 VanDerWaalsContact O-CB 3.28Å; S197-L200 WeakPolarHBondContact O-CB 3.26Å; S197-L200 PolarHBondContact O-N 3.28Å; S197-L200 PolarHBondContact OG-O 3.2Å
201	R	89.9	Confident	75.4	Confident	106 Å²	106	60.9 Å²	60.9	40%	0.4	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	164.1	175	-57.5	-64.1	176.7	-97.1	-1.5	108.9	Q145 C146 A194 S197 G199 C203	Q145-R201 CarbonylContact C-O 3.27Å; Q145-R201 WeakPolarHBondContact CA-O 3.04Å; Q145-R201 WeakPolarHBondContact CB-O 3.35Å; C146-R201 PolarHBondContact N-O 3.23Å; C146-R201 PolarHBondContact O-N 2.75Å; A194-R201 VanDerWaalsContact CB-NH2 3.3Å; A194-R201 PolarHBondContact O-NH1 2.74Å; A194-R201 PolarHBondContact O-NH2 3.26Å; S197-R201 PolarHBondContact OG-NH1 3.04Å; G199-R201 PolarHBondContact O-N 3.45Å; R201-C203 PolarHBondContact O-N 3.31Å
202	V	90.9	Very high	78.1	Confident	81 Å²	81	60.3 Å²	60.3	49%	0.491	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	132.9	170.9	176.9	0	0	0	0	108.1	K143 E204	K143-V202 HydrophobicContact CD-CG2 4.49Å; V202-E204 PolarHBondContact O-N 2.72Å
203	C	92.3	Very high	80.1	Confident	4 Å²	4	58.5 Å²	58.5	3%	0.027	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-64.8	131.2	178.8	-58.3	0	0	0	0	110	V127 I144 C146 Q156 R201	V127-C203 HydrophobicContact CG1-CB 4.03Å; V127-C203 HydrophobicContact CG2-CB 3.85Å; I144-C203 VanDerWaalsContact C-SG 3.59Å; I144-C203 WeakPolarHBondContact CG2-SG 3.47Å; I144-C203 PolarHBondContact O-N 2.92Å; I144-C203 PolarHBondContact O-SG 3Å; C146-C203 HydrophobicContact CB-CB 3.92Å; C146-C203 WeakPolarHBondContact CB-SG 3.45Å; C146-C203 PolarHBondContact N-SG 2.92Å; C146-C203 WeakPolarHBondContact SG-CB 3.39Å; C146-C203 CovalentContact SG-SG 2.03Å; C146-C203 PolarHBondContact SG-SG 2.85Å; Q156-C203 VanDerWaalsContact OE1-CB 3.32Å; R201-C203 PolarHBondContact O-N 3.31Å
204	E	95.6	Very high	82	Confident	143 Å²	143	67.1 Å²	67.1	67%	0.668	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-67.5	148.2	170.8	-62.8	-59.9	155.4	0	0	109.5	V127 Q156 V202 G206	V127-E204 VanDerWaalsContact CG2-O 3.31Å; V127-E204 WeakPolarHBondContact CG2-O 3.38Å; Q156-E204 PolarHBondContact NE2-O 3.03Å; V202-E204 PolarHBondContact O-N 2.72Å; E204-G206 PolarHBondContact O-N 2.99Å
205	D	96.6	Very high	82.7	Confident	127 Å²	127	75.4 Å²	75.4	68%	0.679	40%	0.395	S	S	*	.	S	Bend	trans	-65.4	139	174.3	-66.8	-31.5	0	0	0	110.1	K131	K131-D205 IonicContact NZ-OD1 3.5Å; K131-D205 PolarHBondContact NZ-OD1 2.97Å
206	G	97	Very high	83	Confident	17 Å²	17	76.3 Å²	76.3	18%	0.175	39%	0.392	C	S	.	.	S	Bend	trans	128.6	-160.3	-177.1	0	0	0	0	0	113.6	Q126 V127 E204	Q126-G206 WeakPolarHBondContact CA-O 3.43Å; Q126-G206 VanDerWaalsContact OE1-CA 3.23Å; Q126-G206 PolarHBondContact OE1-O 2.99Å; V127-G206 PolarHBondContact N-O 3.38Å; E204-G206 PolarHBondContact O-N 2.99Å
207	P	97.9	Very high	82.2	Confident	60 Å²	60	81.3 Å²	81.3	39%	0.39	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	140.6	-178.6	-23.8	34.4	0	0	0	112.9	Y125 V155 Q156	Y125-P207 CarbonylContact O-C 3.45Å; Y125-P207 VanDerWaalsContact O-CA 3.3Å; Y125-P207 WeakPolarHBondContact O-CA 3.4Å; V155-P207 HydrophobicContact CB-CB 4.44Å; V155-P207 HydrophobicContact CG1-CB 3.8Å; Q156-P207 PolarHBondContact NE2-O 3.13Å
208	V	97.6	Very high	81.1	Confident	1 Å²	1	91.5 Å²	91.5	1%	0.006	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.6	175.8	61.6	0	0	0	0	110.8	Y125 V127 F130 Q156 I158	Y125-V208 PolarHBondContact N-O 2.96Å; Y125-V208 PolarHBondContact O-N 3.46Å; V127-V208 HydrophobicContact CG2-CB 3.72Å; V127-V208 HydrophobicContact CG2-CG1 3.75Å; V127-V208 HydrophobicContact CG2-CG2 4.4Å; F130-V208 HydrophobicContact CD2-CG1 4.26Å; F130-V208 HydrophobicContact CE2-CG1 4.03Å; Q156-V208 HydrophobicContact CG-CB 4.16Å; Q156-V208 HydrophobicContact CG-CG2 4.06Å; Q156-V208 WeakPolarHBondContact O-CA 3.21Å; I158-V208 HydrophobicContact CB-CG2 3.81Å
209	F	96.4	Very high	81.4	Confident	50 Å²	50	89.8 Å²	89.8	22%	0.219	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	126.9	174.3	-177.4	-136.6	0	0	0	110.9	S121 Y124 V155 Q156 T157 I158 P211	S121-F209 VanDerWaalsContact O-CE2 3.25Å; S121-F209 WeakPolarHBondContact O-CE2 3.23Å; Y124-F209 HydrophobicContact CD1-CB 4Å; Y124-F209 AromaticContact CD1-CD2 3.94Å; Y124-F209 HydrophobicContact CD1-CD2 3.94Å; Y124-F209 HydrophobicContact CD1-CG 4.37Å; Y124-F209 HydrophobicContact CE1-CB 3.99Å; Y124-F209 AromaticContact CE1-CD2 3.85Å; Y124-F209 HydrophobicContact CE1-CD2 3.85Å; Y124-F209 HydrophobicContact CE1-CG 4.15Å; V155-F209 HydrophobicContact CG2-CB 3.78Å; Q156-F209 PolarHBondContact O-N 2.9Å; T157-F209 WeakPolarHBondContact CA-O 3.25Å; T157-F209 HydrophobicContact CG2-CD1 4.31Å; I158-F209 WeakPolarHBondContact CG2-O 3.4Å; I158-F209 PolarHBondContact N-O 2.82Å; F209-P211 HydrophobicContact CD1-CB 4.12Å; F209-P211 HydrophobicContact CE1-CB 3.57Å; F209-P211 HydrophobicContact CE1-CG 4.44Å; F209-P211 HydrophobicContact CZ-CB 3.84Å; F209-P211 WeakPolarHBondContact O-CD 3.47Å
210	Y	95	Very high	81.4	Confident	14 Å²	14	93.2 Å²	93.2	6%	0.055	47%	0.465	C	S	.	.			trans	-110.3	91.4	171.5	-179.4	-160	0	0	0	110.1	L10 I118 K119 P120 S121 Y125 F130 I158	L10-Y210 HydrophobicContact CD1-CD1 4.25Å; L10-Y210 HydrophobicContact CD1-CD2 4.03Å; L10-Y210 HydrophobicContact CD1-CE1 3.64Å; L10-Y210 HydrophobicContact CD1-CE2 3.47Å; L10-Y210 VanDerWaalsContact CD1-CE2 3.47Å; L10-Y210 HydrophobicContact CD1-CG 4.43Å; L10-Y210 WeakPolarHBondContact CD1-OH 3.22Å; L10-Y210 HydrophobicContact CD2-CE2 4.21Å; L10-Y210 HydrophobicContact CG-CD2 4.13Å; L10-Y210 HydrophobicContact CG-CE1 4.45Å; L10-Y210 HydrophobicContact CG-CE2 3.4Å; L10-Y210 VanDerWaalsContact CG-CE2 3.4Å; I118-Y210 HydrophobicContact CG2-CD1 4.27Å; I118-Y210 HydrophobicContact CG2-CE1 4.38Å; K119-Y210 VanDerWaalsContact C-CD1 3.42Å; K119-Y210 WeakPolarHBondContact O-CD1 3.36Å; P120-Y210 CarbonylContact C-O 3.51Å; P120-Y210 WeakPolarHBondContact CA-O 3.49Å; P120-Y210 HydrophobicContact CB-CD2 4.48Å; P120-Y210 HydrophobicContact CB-CE1 4.38Å; P120-Y210 HydrophobicContact CB-CE2 4.19Å; P120-Y210 VanDerWaalsContact CD-CE1 3.44Å; P120-Y210 VanDerWaalsContact CD-CZ 3.48Å; P120-Y210 WeakPolarHBondContact CD-OH 3.43Å; P120-Y210 HydrophobicContact CG-CE1 3.88Å; P120-Y210 HydrophobicContact CG-CE2 3.78Å; P120-Y210 VanDerWaalsContact CG-CZ 3.43Å; P120-Y210 WeakPolarHBondContact CG-OH 3.25Å; S121-Y210 PolarHBondContact N-O 3.25Å; S121-Y210 VanDerWaalsContact O-O 3.12Å; Y125-Y210 HydrophobicContact CE2-CD1 4.2Å; F130-Y210 HydrophobicContact CE1-CD1 4.12Å; F130-Y210 HydrophobicContact CE1-CE1 4.45Å; F130-Y210 AromaticContact CZ-CD1 3.73Å; F130-Y210 HydrophobicContact CZ-CD1 3.73Å; F130-Y210 HydrophobicContact CZ-CE1 4.48Å; F130-Y210 AromaticContact CZ-CG 3.99Å; F130-Y210 HydrophobicContact CZ-CG 3.99Å; I158-Y210 HydrophobicContact CG2-CD2 3.8Å; I158-Y210 HydrophobicContact CG2-CG 4.1Å
211	P	91.6	Very high	81.3	Confident	48 Å²	48	96.9 Å²	96.9	31%	0.312	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-69.5	132.7	-164.1	23.3	-34	0	0	0	113	T157 F209	T157-P211 HydrophobicContact CG2-CG 3.86Å; F209-P211 HydrophobicContact CD1-CB 4.12Å; F209-P211 HydrophobicContact CE1-CB 3.57Å; F209-P211 HydrophobicContact CE1-CG 4.44Å; F209-P211 HydrophobicContact CZ-CB 3.84Å; F209-P211 WeakPolarHBondContact O-CD 3.47Å
212	P	90.8	Very high	80.7	Confident	57 Å²	57	96.4 Å²	96.4	37%	0.37	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-56.9	140.2	164.4	-22.8	34.1	0	0	0	111.4	P120 I122 K214	P120-P212 HydrophobicContact CB-CB 4.37Å; P120-P212 HydrophobicContact CB-CG 4.47Å; I122-P212 HydrophobicContact CG2-CG 4.47Å; P212-K214 PolarHBondContact O-N 3Å
213	P	81.4	Confident	80.1	Confident	70 Å²	70	97.3 Å²	97.3	46%	0.455	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-57.2	135.5	175.3	-21.7	31.6	0	0	0	110.8	K215	P213-K215 PolarHBondContact O-N 3.38Å
214	K	77.7	Confident	79.3	Confident	202 Å²	202	103.5 Å²	103.5	88%	0.878	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-61.1	126	173.8	-67.3	-177.1	-179.9	178.9	0	108.7	P212 T216	P212-K214 PolarHBondContact O-N 3Å; K214-T216 PolarHBondContact O-N 2.99Å
215	K	53.8	Low	78.1	Confident	207 Å²	207	100.7 Å²	100.7	90%	0.9	51%	0.509	S	S	*	.			trans	-62	107.9	172.6	-69.9	-175.8	-179.4	179.3	0	108.4	P213 K217	P213-K215 PolarHBondContact O-N 3.38Å; K215-K217 PolarHBondContact O-N 3.16Å
216	T	47.8	Very low	76.7	Confident	107 Å²	107	98.7 Å²	98.7	66%	0.656	50%	0.495	S	S	*	.			trans	-70.3	112	167.3	45.3	0	0	0	0	107.7	K214 H218	K214-T216 PolarHBondContact O-N 2.99Å; T216-H218 PolarHBondContact O-N 3.23Å; T216-H218 VanDerWaalsContact O-N 3.16Å
217	K	34.4	Very low	75	Confident	206 Å²	206	105.5 Å²	105.5	90%	0.896	52%	0.522	S	S	*	.			trans	-64.1	112.4	165.5	-69.4	-176.5	179.3	-179.3	0	106.4	K215	K215-K217 PolarHBondContact O-N 3.16Å
218	H	35.8	Very low	72.9	Confident	244 Å²	244	109.6 Å²	109.6	100%	1.13	53%	0.534	S	S	*	.			trans	-75.8	0	167.6	-74.6	-62.3	0	0	0	109.7	T216	T216-H218 PolarHBondContact O-N 3.23Å; T216-H218 VanDerWaalsContact O-N 3.16Å

Retrieved 218 of 218 residues in 504.1 ms (Link to these results)

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