G4VPR2_SCHMA Loading...

Calcium binding atopy-related autoantigen

AlphaFold DB , UniProt , Accession G4VPR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 520 aa.

Structure Viewer

Loading PAE data...

(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	37.4	Very low	34.1	Very low	241 Å²	241	170.2 Å²	170.2	100%	1.187	87%	0.868	S	S	*	*				0	131.5	0	-72.9	-175	-168.5	0	0	107.2
2	L	34.5	Very low	34.1	Very low	162 Å²	162	162.7 Å²	162.7	85%	0.848	86%	0.864	S	S	*	*			trans	74.2	82.6	-157.8	-71	145.6	0	0	0	112.6
3	F	32.7	Very low	34	Very low	194 Å²	194	158.9 Å²	158.9	85%	0.851	86%	0.859	S	S	*	*				61	129.7	85	-79.6	-81.8	0	0	0	111.5
4	C	34	Very low	34	Very low	111 Å²	111	162.6 Å²	162.6	75%	0.75	86%	0.864	S	S	*	*			cis	-164.7	156.1	15.2	-155	0	0	0	0	111.4
5	H	31.6	Very low	34	Very low	170 Å²	170	156.3 Å²	156.3	79%	0.787	85%	0.853	S	S	*	*			trans	-47.4	147.2	168.3	-100.6	-99.7	0	0	0	116.6
6	L	38.5	Very low	33.8	Very low	172 Å²	172	162.1 Å²	162.1	90%	0.901	86%	0.858	S	S	*	*			trans	-154.8	84.4	141.5	-93.9	164	0	0	0	106.8
7	S	35.2	Very low	33.7	Very low	98 Å²	98	167.2 Å²	167.2	69%	0.685	86%	0.863	S	S	*	*				70.7	110.1	96.2	-158.2	0	0	0	0	115.1
8	R	29.5	Very low	33.5	Very low	235 Å²	235	163.9 Å²	163.9	89%	0.887	86%	0.857	S	S	*	*			trans	-78.7	139	165.2	-76.4	173	166.9	172.1	-4.6	109.1
9	H	35.9	Very low	33.5	Very low	190 Å²	190	166.1 Å²	166.1	88%	0.88	86%	0.859	S	S	*	*			trans	-163.7	120.5	143.2	-104.7	-77.5	0	0	0	110.7
10	S	33.7	Very low	33.5	Very low	118 Å²	118	162.3 Å²	162.3	83%	0.825	85%	0.848	S	S	*	*				146.4	111.6	128.2	-163.2	0	0	0	0	112
11	L	32.4	Very low	33.4	Very low	181 Å²	181	164 Å²	164	95%	0.948	85%	0.849	S	S	*	*			trans	-76.9	142.7	169	-80.7	141.5	0	0	0	109.9
12	G	33.4	Very low	33.2	Very low	80 Å²	80	160 Å²	160	83%	0.825	83%	0.831	S	S	*	*			trans	-163.7	93.1	168.5	0	0	0	0	0	110.6
13	S	33	Very low	32.9	Very low	114 Å²	114	157.3 Å²	157.3	80%	0.797	83%	0.825	S	S	*	*			trans	-75	133.4	178.4	-176.1	0	0	0	0	111.1
14	F	34.7	Very low	32.9	Very low	210 Å²	210	156.2 Å²	156.2	92%	0.921	82%	0.82	S	S	*	*			trans	-160.3	117.8	149.1	-119	-82.7	0	0	0	112.4
15	G	33.6	Very low	32.5	Very low	68 Å²	68	156.3 Å²	156.3	70%	0.701	82%	0.821	S	S	*	*				79.4	105.6	128	0	0	0	0	0	120.6
16	R	30.8	Very low	32.6	Very low	249 Å²	249	157.2 Å²	157.2	94%	0.94	82%	0.819	S	S	*	*			trans	-53.5	141	160.9	-71.1	174.1	176.8	175.4	-1.9	113
17	R	32.1	Very low	32.3	Very low	249 Å²	249	157.6 Å²	157.6	94%	0.94	81%	0.814	S	S	*	*			trans	-163.5	126.3	130.3	-107.4	171.7	-172.1	-174.3	2.3	111.4
18	S	29.7	Very low	32.2	Very low	108 Å²	108	160.9 Å²	160.9	76%	0.755	82%	0.822	S	S	*	*			trans	-68.4	138.2	169.1	173.5	0	0	0	0	110.3
19	F	34	Very low	32.3	Very low	205 Å²	205	157.5 Å²	157.5	90%	0.899	81%	0.814	S	S	*	*			trans	-162.5	142.1	141	-103.1	-74.6	0	0	0	111
20	S	33.7	Very low	32.2	Very low	90 Å²	90	160.4 Å²	160.4	63%	0.629	82%	0.818	S	S	*	*			trans	-68	159.3	-176.7	57.1	0	0	0	0	115.7
21	K	29.9	Very low	32	Very low	199 Å²	199	161.2 Å²	161.2	87%	0.865	81%	0.813	S	S	*	*			trans	60.1	94.7	154.6	-72.7	-179.6	177.2	178.9	0	116.8
22	I	33.3	Very low	32.1	Very low	158 Å²	158	158 Å²	158	81%	0.81	80%	0.803	S	S	*	*			trans	-137	122.1	151.1	-62.6	-179.4	0	0	0	109
23	S	29.4	Very low	31.9	Very low	105 Å²	105	159.7 Å²	159.7	73%	0.734	80%	0.801	S	S	*	*			trans	-65.8	130.3	170.7	-171.7	0	0	0	0	110
24	F	31.5	Very low	31.9	Very low	170 Å²	170	162.2 Å²	162.2	75%	0.746	80%	0.803	S	S	*	*			trans	-98.9	90.2	174.3	-120	-102.1	0	0	0	109.3	Y26	F24-Y26 AromaticContact CD1-CD2 3.33Å; F24-Y26 HydrophobicContact CD1-CD2 3.33Å; F24-Y26 AromaticContact CD1-CE2 3.8Å; F24-Y26 HydrophobicContact CD1-CE2 3.8Å; F24-Y26 HydrophobicContact CD1-CG 4.37Å; F24-Y26 AromaticContact CE1-CD2 3.21Å; F24-Y26 HydrophobicContact CE1-CD2 3.21Å; F24-Y26 AromaticContact CE1-CE2 3.23Å; F24-Y26 HydrophobicContact CE1-CE2 3.23Å; F24-Y26 HydrophobicContact CE1-CG 4.27Å; F24-Y26 HydrophobicContact CG-CD2 4.31Å; F24-Y26 HydrophobicContact CZ-CD2 4.12Å; F24-Y26 AromaticContact CZ-CE2 3.68Å; F24-Y26 HydrophobicContact CZ-CE2 3.68Å
25	C	27	Very low	31.6	Very low	114 Å²	114	158.5 Å²	158.5	77%	0.77	80%	0.798	S	S	*	*			trans	-85.9	113.3	152.5	-86.8	0	0	0	0	108
26	Y	33.9	Very low	31.6	Very low	188 Å²	188	163.8 Å²	163.8	74%	0.737	80%	0.802	S	S	*	*			trans	-130.8	100	156.1	-90.4	-96.3	0	0	0	106	F24	F24-Y26 AromaticContact CD1-CD2 3.33Å; F24-Y26 HydrophobicContact CD1-CD2 3.33Å; F24-Y26 AromaticContact CD1-CE2 3.8Å; F24-Y26 HydrophobicContact CD1-CE2 3.8Å; F24-Y26 HydrophobicContact CD1-CG 4.37Å; F24-Y26 AromaticContact CE1-CD2 3.21Å; F24-Y26 HydrophobicContact CE1-CD2 3.21Å; F24-Y26 AromaticContact CE1-CE2 3.23Å; F24-Y26 HydrophobicContact CE1-CE2 3.23Å; F24-Y26 HydrophobicContact CE1-CG 4.27Å; F24-Y26 HydrophobicContact CG-CD2 4.31Å; F24-Y26 HydrophobicContact CZ-CD2 4.12Å; F24-Y26 AromaticContact CZ-CE2 3.68Å; F24-Y26 HydrophobicContact CZ-CE2 3.68Å
27	F	30.6	Very low	31.6	Very low	181 Å²	181	160.4 Å²	160.4	79%	0.794	80%	0.797	S	S	*	*				55	105.1	99.3	-113.3	-88.7	0	0	0	113.2
28	L	34.1	Very low	31.8	Very low	166 Å²	166	156.8 Å²	156.8	87%	0.869	79%	0.791	S	S	*	*			trans	-175.1	79.4	133.7	-94.1	165.2	0	0	0	110.9
29	K	30.7	Very low	31.7	Very low	165 Å²	165	161 Å²	161	72%	0.717	80%	0.795	S	S	*	*			trans	16.8	110.8	133.4	-157.7	178.3	-169.6	-177.8	0	118.3
30	W	34.3	Very low	31.8	Very low	251 Å²	251	158 Å²	158	95%	0.951	80%	0.795	S	S	*	*			trans	-144.6	136.9	145.2	-88.8	79.9	0	0	0	109.2
31	D	30.8	Very low	32	Very low	134 Å²	134	158.4 Å²	158.4	72%	0.717	80%	0.803	S	S	*	*			trans	-71.6	157.9	-160.3	-58.3	-64.6	0	0	0	116.4
32	P	33.6	Very low	32.2	Very low	115 Å²	115	154.7 Å²	154.7	75%	0.747	80%	0.797	S	S	*	*			trans	-102.4	166.8	173.1	38.2	-30.2	0	0	0	114.3
33	C	28.2	Very low	32.5	Very low	115 Å²	115	156.3 Å²	156.3	78%	0.777	80%	0.801	S	S	*	*			trans	77.7	109.3	163.5	-73.4	0	0	0	0	119.1
34	I	33	Very low	33	Very low	166 Å²	166	154.7 Å²	154.7	85%	0.851	80%	0.8	S	S	*	*				-143.1	110.2	118.7	-58.8	-172.3	0	0	0	108.6
35	T	30.2	Very low	33.3	Very low	132 Å²	132	152.7 Å²	152.7	81%	0.81	80%	0.804	S	S	*	*			trans	-75	132.6	160.2	31.6	0	0	0	0	110.1
36	F	32.9	Very low	33.5	Very low	180 Å²	180	158.7 Å²	158.7	79%	0.789	81%	0.812	S	S	*	*			trans	-137.7	111.8	157.3	-148.9	-95.5	0	0	0	109.5
37	Q	31.2	Very low	33.8	Very low	177 Å²	177	161.1 Å²	161.1	83%	0.827	82%	0.82	S	S	*	*			trans	-71.1	136.1	167.7	-78	-156.3	-43.2	0	0	109.6
38	Q	35	Very low	34.3	Very low	174 Å²	174	159.7 Å²	159.7	81%	0.813	82%	0.821	S	S	*	*			trans	-149	116.7	144.7	-139.3	169.6	1.3	0	0	111.2
39	K	29.3	Very low	34.5	Very low	195 Å²	195	163.1 Å²	163.1	85%	0.848	82%	0.822	S	S	*	*			trans	-55	135.8	166.3	-72.7	171.8	172.9	175.7	0	110
40	T	36.3	Very low	35	Very low	144 Å²	144	166 Å²	166	88%	0.883	83%	0.83	S	S	*	*			trans	-145	138.4	146.4	44	0	0	0	0	111
41	A	36.6	Very low	35.1	Very low	97 Å²	97	159.7 Å²	159.7	80%	0.802	82%	0.82	S	S	*	*			trans	-81.5	155.1	-173.2	0	0	0	0	0	113.3
42	V	34.8	Very low	35.4	Very low	122 Å²	122	161.5 Å²	161.5	74%	0.739	82%	0.823	S	S	*	*			trans	-20.2	145.7	159.1	-166.4	0	0	0	0	117.8
43	H	40.2	Very low	35.8	Very low	192 Å²	192	166 Å²	166	89%	0.889	83%	0.827	S	S	*	*			trans	98.9	111.6	160.8	-72	-54.1	0	0	0	119.4
44	G	38	Very low	36.3	Very low	71 Å²	71	169.5 Å²	169.5	73%	0.732	83%	0.829	S	S	*	*			trans	148.6	126.2	155.5	0	0	0	0	0	113.6
45	P	37.8	Very low	36.6	Very low	127 Å²	127	169.4 Å²	169.4	83%	0.825	83%	0.83	S	S	*	*			trans	-81.2	150.9	-153.8	32.5	-35.2	0	0	0	115	R47	P45-R47 PolarHBondContact O-N 3.29Å
46	Y	33	Very low	37.3	Very low	240 Å²	240	165.5 Å²	165.5	94%	0.941	81%	0.811	S	S	*	*			trans	-47.2	113.5	174.8	-141.7	-104.6	0	0	0	111.8
47	R	39.8	Very low	38.1	Very low	240 Å²	240	165.9 Å²	165.9	91%	0.906	81%	0.809	S	S	*	*			trans	-125	115.8	176	-142	176.6	-178.5	-177	0.2	110.6	P45	P45-R47 PolarHBondContact O-N 3.29Å
48	N	39.6	Very low	38.5	Very low	150 Å²	150	163.8 Å²	163.8	80%	0.802	81%	0.81	S	S	*	*			trans	-5.5	117.4	170.3	-64.6	-25.6	0	0	0	118.5	Y50	N48-Y50 PolarHBondContact O-N 3.33Å
49	R	39.4	Very low	39.2	Very low	238 Å²	238	161.3 Å²	161.3	90%	0.898	80%	0.801	S	S	*	*	S	Bend	trans	-98.2	65.7	173.2	-159.6	-175.9	-64.3	-163.4	1.6	111.1
50	Y	40.3	Very low	40	Very low	226 Å²	226	160.2 Å²	160.2	89%	0.886	80%	0.797	S	S	*	*			trans	-153.6	64.2	165.8	-78.2	-72.8	0	0	0	111.6	N48	N48-Y50 PolarHBondContact O-N 3.33Å
51	T	38	Very low	40.6	Very low	119 Å²	119	161.1 Å²	161.1	73%	0.73	79%	0.791	S	S	*	*			trans	-155.4	140.7	160.2	46.3	0	0	0	0	108.5
52	H	36.8	Very low	41.2	Very low	172 Å²	172	164.9 Å²	164.9	80%	0.796	79%	0.789	S	S	*	*			trans	101.6	78.6	179.1	-60	-75.8	0	0	0	116.7
53	Y	41.9	Very low	42.3	Very low	208 Å²	208	163.9 Å²	163.9	82%	0.816	78%	0.779	S	S	*	*			trans	-144.9	71	135.4	-114.3	-86.2	0	0	0	108.5	A56	Y53-A56 HydrophobicContact CD1-CB 4.1Å; Y53-A56 HydrophobicContact CE1-CB 3.67Å
54	K	38.9	Very low	43.3	Very low	190 Å²	190	163.1 Å²	163.1	83%	0.826	77%	0.769	S	S	*	*			trans	-101.2	120.8	156.4	-108.6	-179.1	175.4	179.2	0	104.8
55	N	39.3	Very low	44.6	Very low	164 Å²	164	167.7 Å²	167.7	88%	0.877	77%	0.765	S	S	*	*	S	Bend	trans	104.2	42.9	167.3	-48.1	-12.9	0	0	0	118.7
56	A	43.8	Very low	46.2	Very low	49 Å²	49	167 Å²	167	41%	0.405	75%	0.751	S	S	.	*			trans	-134.4	132.4	159.2	0	0	0	0	0	110.5	Y53	Y53-A56 HydrophobicContact CD1-CB 4.1Å; Y53-A56 HydrophobicContact CE1-CB 3.67Å
57	Y	49.8	Very low	48.1	Very low	189 Å²	189	160.1 Å²	160.1	74%	0.741	73%	0.734	S	S	*	*			trans	86.4	103.7	177	-50.6	-75.1	0	0	0	117.1	I59	Y57-I59 VanDerWaalsContact C-N 3.32Å; Y57-I59 PolarHBondContact O-N 2.92Å; Y57-I59 VanDerWaalsContact O-N 3.08Å
58	P	39.9	Very low	49.9	Very low	132 Å²	132	155.3 Å²	155.3	86%	0.857	72%	0.717	S	S	*	*			trans	-78.4	87.8	160.6	32.9	-26.4	0	0	0	107.5	K60	P58-K60 PolarHBondContact O-N 3.5Å
59	I	50.3	Low	51.7	Low	122 Å²	122	155 Å²	155	63%	0.626	71%	0.705	S	S	*	*			trans	-81.1	116.5	175.8	-58.5	-179.6	0	0	0	108	Y57 Q61 I63	Y57-I59 VanDerWaalsContact C-N 3.32Å; Y57-I59 PolarHBondContact O-N 2.92Å; Y57-I59 VanDerWaalsContact O-N 3.08Å; I59-Q61 PolarHBondContact O-N 3.48Å; I59-I63 HydrophobicContact CG2-CD1 3.98Å
60	K	44.9	Very low	53.6	Low	173 Å²	173	150.1 Å²	150.1	75%	0.752	69%	0.691	S	S	*	*			trans	-42.2	126.2	179.7	-66.3	178.4	176.4	179.5	0	111.7	P58 K62 I63	P58-K60 PolarHBondContact O-N 3.5Å; K60-K62 PolarHBondContact O-N 3.25Å; K60-I63 PolarHBondContact O-N 2.76Å; K60-I63 VanDerWaalsContact O-N 3.13Å
61	Q	49	Very low	55.5	Low	163 Å²	163	142.4 Å²	142.4	76%	0.762	67%	0.67	S	S	*	*	H	α-helix	trans	-45.2	-25.7	176.8	-85.8	173.5	-28.4	0	0	114.5	I59 I63 Y64 Y65	I59-Q61 PolarHBondContact O-N 3.48Å; Q61-I63 VanDerWaalsContact C-N 3.31Å; Q61-I63 PolarHBondContact O-N 3.47Å; Q61-Y64 PolarHBondContact O-N 3.25Å; Q61-Y65 WeakPolarHBondContact O-CD2 3.19Å; Q61-Y65 PolarHBondContact O-N 2.94Å
62	K	49.5	Very low	57.5	Low	176 Å²	176	139.1 Å²	139.1	77%	0.765	65%	0.65	S	S	*	*	H	α-helix	trans	-57.2	-35.1	178.3	-114.2	179.4	176.3	-177.5	0	114.4	K60 E66	K60-K62 PolarHBondContact O-N 3.25Å; K62-E66 WeakPolarHBondContact O-CG 3.4Å; K62-E66 PolarHBondContact O-N 3.48Å
63	I	58.1	Low	59.7	Low	101 Å²	101	134.6 Å²	134.6	52%	0.518	63%	0.631	S	S	.	*	H	α-helix	trans	-76.7	-32.8	-176.4	-61.8	172.5	0	0	0	111.5	I59 K60 Q61 E66 V67	I59-I63 HydrophobicContact CG2-CD1 3.98Å; K60-I63 PolarHBondContact O-N 2.76Å; K60-I63 VanDerWaalsContact O-N 3.13Å; Q61-I63 VanDerWaalsContact C-N 3.31Å; Q61-I63 PolarHBondContact O-N 3.47Å; I63-E66 PolarHBondContact O-N 3.27Å; I63-V67 HydrophobicContact CG2-CG2 4.35Å; I63-V67 WeakPolarHBondContact O-CG2 3.27Å; I63-V67 PolarHBondContact O-N 3.33Å
64	Y	61	Low	61.8	Low	175 Å²	175	127.2 Å²	127.2	69%	0.686	61%	0.613	S	S	*	*	H	α-helix	trans	-67.6	-39.7	178.6	-168.6	-93.5	0	0	0	111.6	Q61 Y68	Q61-Y64 PolarHBondContact O-N 3.25Å; Y64-Y68 WeakPolarHBondContact O-CB 3.45Å; Y64-Y68 PolarHBondContact O-N 3.5Å
65	Y	65.6	Low	63.9	Low	168 Å²	168	121.9 Å²	121.9	66%	0.659	60%	0.599	S	S	*	*	H	α-helix	trans	-66.8	-40.3	175.5	-83.6	-80.3	0	0	0	112.6	Q61 Y69	Q61-Y65 WeakPolarHBondContact O-CD2 3.19Å; Q61-Y65 PolarHBondContact O-N 2.94Å; Y65-Y69 WeakPolarHBondContact O-CB 3.35Å; Y65-Y69 PolarHBondContact O-N 3.32Å
66	E	70.6	Confident	66	Low	112 Å²	112	119 Å²	119	52%	0.523	58%	0.581	S	S	.	*	H	α-helix	trans	-63	-48.7	176.2	-71.7	-76.3	156.2	0	0	111.5	K62 I63 Y68 Y69 F70	K62-E66 WeakPolarHBondContact O-CG 3.4Å; K62-E66 PolarHBondContact O-N 3.48Å; I63-E66 PolarHBondContact O-N 3.27Å; E66-Y68 PolarHBondContact O-N 2.97Å; E66-Y69 PolarHBondContact O-N 2.93Å; E66-F70 VanDerWaalsContact O-CD2 3.24Å; E66-F70 WeakPolarHBondContact O-CD2 3.36Å; E66-F70 PolarHBondContact O-N 3.33Å
67	V	74	Confident	68	Low	96 Å²	96	121.3 Å²	121.3	58%	0.582	59%	0.587	S	S	*	*	H	α-helix	trans	-65.8	-40.6	179.7	175.9	0	0	0	0	111.6	I63 S71	I63-V67 HydrophobicContact CG2-CG2 4.35Å; I63-V67 WeakPolarHBondContact O-CG2 3.27Å; I63-V67 PolarHBondContact O-N 3.33Å; V67-S71 WeakPolarHBondContact O-CB 3.43Å; V67-S71 PolarHBondContact O-N 3.16Å; V67-S71 PolarHBondContact O-OG 3.22Å
68	Y	76.4	Confident	69.6	Low	138 Å²	138	117.8 Å²	117.8	54%	0.541	58%	0.58	S	S	.	*	H	α-helix	trans	-64.1	-43	175.1	-174.1	-98.5	0	0	0	111.5	Y64 E66 S71 T72	Y64-Y68 WeakPolarHBondContact O-CB 3.45Å; Y64-Y68 PolarHBondContact O-N 3.5Å; E66-Y68 PolarHBondContact O-N 2.97Å; Y68-S71 PolarHBondContact O-N 3.06Å; Y68-S71 PolarHBondContact O-OG 3.14Å; Y68-T72 HydrophobicContact CD1-CG2 4.21Å; Y68-T72 HydrophobicContact CE1-CG2 3.87Å; Y68-T72 HydrophobicContact CE2-CG2 4.33Å; Y68-T72 WeakPolarHBondContact O-CG2 3.23Å; Y68-T72 PolarHBondContact O-N 2.9Å; Y68-T72 PolarHBondContact O-OG1 3.46Å
69	Y	78.1	Confident	71.5	Confident	143 Å²	143	116 Å²	116	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-62	-49.2	177	-171.6	-100.7	0	0	0	111.7	Y65 E66 S71 T72 L73	Y65-Y69 WeakPolarHBondContact O-CB 3.35Å; Y65-Y69 PolarHBondContact O-N 3.32Å; E66-Y69 PolarHBondContact O-N 2.93Å; Y69-S71 VanDerWaalsContact C-N 3.35Å; Y69-S71 PolarHBondContact O-N 3.46Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.38Å; Y69-T72 PolarHBondContact O-N 3.12Å; Y69-T72 PolarHBondContact O-OG1 3.26Å; Y69-L73 HydrophobicContact CD1-CD1 4.04Å; Y69-L73 HydrophobicContact CE1-CD1 3.36Å; Y69-L73 WeakPolarHBondContact O-CB 3.33Å; Y69-L73 PolarHBondContact O-N 3.44Å
70	F	79.7	Confident	72.8	Confident	136 Å²	136	117.2 Å²	117.2	60%	0.596	56%	0.564	S	S	*	*	H	α-helix	trans	-63.2	-37.8	176.6	-83.2	-73.2	0	0	0	113.1	E66 A74	E66-F70 VanDerWaalsContact O-CD2 3.24Å; E66-F70 WeakPolarHBondContact O-CD2 3.36Å; E66-F70 PolarHBondContact O-N 3.33Å; F70-A74 WeakPolarHBondContact O-CB 3.15Å; F70-A74 PolarHBondContact O-N 2.86Å
71	S	78.9	Confident	74.6	Confident	64 Å²	64	113.6 Å²	113.6	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-40	177.4	78.6	0	0	0	0	112.6	V67 Y68 Y69 C75	V67-S71 WeakPolarHBondContact O-CB 3.43Å; V67-S71 PolarHBondContact O-N 3.16Å; V67-S71 PolarHBondContact O-OG 3.22Å; Y68-S71 PolarHBondContact O-N 3.06Å; Y68-S71 PolarHBondContact O-OG 3.14Å; Y69-S71 VanDerWaalsContact C-N 3.35Å; Y69-S71 PolarHBondContact O-N 3.46Å; S71-C75 WeakPolarHBondContact O-CB 3.44Å; S71-C75 PolarHBondContact O-N 2.9Å; S71-C75 VanDerWaalsContact O-N 3.08Å
72	T	81.1	Confident	75.9	Confident	51 Å²	51	109.6 Å²	109.6	31%	0.313	54%	0.538	S	S	.	.	H	α-helix	trans	-71.2	-38.9	178.4	50.6	0	0	0	0	111.1	Y68 Y69 C75 M76	Y68-T72 HydrophobicContact CD1-CG2 4.21Å; Y68-T72 HydrophobicContact CE1-CG2 3.87Å; Y68-T72 HydrophobicContact CE2-CG2 4.33Å; Y68-T72 WeakPolarHBondContact O-CG2 3.23Å; Y68-T72 PolarHBondContact O-N 2.9Å; Y68-T72 PolarHBondContact O-OG1 3.46Å; Y69-T72 WeakPolarHBondContact CA-OG1 3.38Å; Y69-T72 PolarHBondContact O-N 3.12Å; Y69-T72 PolarHBondContact O-OG1 3.26Å; T72-C75 PolarHBondContact O-N 3.36Å; T72-M76 VanDerWaalsContact O-CG 3.27Å; T72-M76 WeakPolarHBondContact O-CG 3.47Å; T72-M76 PolarHBondContact O-N 3.38Å
73	L	83.5	Confident	77.2	Confident	76 Å²	76	105.4 Å²	105.4	40%	0.398	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-41.1	176.3	-136.1	150.4	0	0	0	112	Y69 M76 L77	Y69-L73 HydrophobicContact CD1-CD1 4.04Å; Y69-L73 HydrophobicContact CE1-CD1 3.36Å; Y69-L73 WeakPolarHBondContact O-CB 3.33Å; Y69-L73 PolarHBondContact O-N 3.44Å; L73-M76 PolarHBondContact O-N 3.5Å; L73-L77 HydrophobicContact CD2-CD1 4.48Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 PolarHBondContact O-N 2.9Å
74	A	84.8	Confident	78	Confident	54 Å²	54	102.4 Å²	102.4	45%	0.446	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-39.5	174.4	0	0	0	0	0	112.6	F70 L77 L78	F70-A74 WeakPolarHBondContact O-CB 3.15Å; F70-A74 PolarHBondContact O-N 2.86Å; A74-L77 PolarHBondContact O-N 2.77Å; A74-L78 PolarHBondContact O-N 3.3Å
75	C	84.4	Confident	78.3	Confident	77 Å²	77	100.6 Å²	100.6	52%	0.52	52%	0.517	S	S	.	.	H	α-helix	trans	-66.9	-40.8	176.8	-142.5	0	0	0	0	111.5	S71 T72 L78 L79	S71-C75 WeakPolarHBondContact O-CB 3.44Å; S71-C75 PolarHBondContact O-N 2.9Å; S71-C75 VanDerWaalsContact O-N 3.08Å; T72-C75 PolarHBondContact O-N 3.36Å; C75-L78 PolarHBondContact O-N 3.4Å; C75-L79 WeakPolarHBondContact O-CG 3.3Å; C75-L79 PolarHBondContact O-N 2.94Å
76	M	83.3	Confident	78.3	Confident	103 Å²	103	96.4 Å²	96.4	51%	0.507	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-40.5	173.7	-70.5	-64.1	-74.6	0	0	111.8	T72 L73 L79 F80	T72-M76 VanDerWaalsContact O-CG 3.27Å; T72-M76 WeakPolarHBondContact O-CG 3.47Å; T72-M76 PolarHBondContact O-N 3.38Å; L73-M76 PolarHBondContact O-N 3.5Å; M76-L79 PolarHBondContact O-N 3.25Å; M76-F80 HydrophobicContact CE-CE2 4.13Å; M76-F80 WeakPolarHBondContact O-CD2 3.31Å; M76-F80 PolarHBondContact O-N 2.94Å
77	L	85.9	Confident	78.1	Confident	99 Å²	99	98.5 Å²	98.5	52%	0.518	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-41.5	176.4	-120.7	155.8	0	0	0	112.3	L73 A74 F80 I81	L73-L77 HydrophobicContact CD2-CD1 4.48Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 PolarHBondContact O-N 2.9Å; A74-L77 PolarHBondContact O-N 2.77Å; L77-F80 PolarHBondContact O-N 3.36Å; L77-I81 HydrophobicContact CD2-CD1 4.08Å; L77-I81 HydrophobicContact CD2-CG1 4.48Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.28Å; L77-I81 PolarHBondContact O-N 2.86Å
78	L	82.6	Confident	77.5	Confident	114 Å²	114	96.6 Å²	96.6	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-65.5	-36.3	174.2	-79.7	165.9	0	0	0	112.5	A74 C75 T82	A74-L78 PolarHBondContact O-N 3.3Å; C75-L78 PolarHBondContact O-N 3.4Å; L78-T82 WeakPolarHBondContact O-CG2 3.38Å; L78-T82 PolarHBondContact O-N 3.33Å; L78-T82 PolarHBondContact O-OG1 2.79Å
79	L	80.1	Confident	76.6	Confident	96 Å²	96	95.6 Å²	95.6	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-68.2	-40.9	172.6	-73.1	171.6	0	0	0	111.9	C75 M76 I81 T82 V83	C75-L79 WeakPolarHBondContact O-CG 3.3Å; C75-L79 PolarHBondContact O-N 2.94Å; M76-L79 PolarHBondContact O-N 3.25Å; L79-I81 PolarHBondContact O-N 3.42Å; L79-T82 WeakPolarHBondContact CA-OG1 3.33Å; L79-T82 PolarHBondContact O-N 3.02Å; L79-T82 PolarHBondContact O-OG1 3.39Å; L79-T82 VanDerWaalsContact O-OG1 3.08Å; L79-V83 VanDerWaalsContact O-CB 3.29Å; L79-V83 WeakPolarHBondContact O-CB 3.33Å; L79-V83 VanDerWaalsContact O-CG2 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.17Å
80	F	77.8	Confident	75.8	Confident	147 Å²	147	98.8 Å²	98.8	65%	0.645	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-37.5	175.7	-89.1	-71.6	0	0	0	112.6	M76 L77 G84	M76-F80 HydrophobicContact CE-CE2 4.13Å; M76-F80 WeakPolarHBondContact O-CD2 3.31Å; M76-F80 PolarHBondContact O-N 2.94Å; L77-F80 PolarHBondContact O-N 3.36Å; F80-G84 WeakPolarHBondContact O-CA 3.48Å; F80-G84 PolarHBondContact O-N 3Å
81	I	82.9	Confident	74.9	Confident	97 Å²	97	98.9 Å²	98.9	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-68.1	-45.8	176.1	-67.3	165	0	0	0	110.4	L77 L79 G84 F85	L77-I81 HydrophobicContact CD2-CD1 4.08Å; L77-I81 HydrophobicContact CD2-CG1 4.48Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.28Å; L77-I81 PolarHBondContact O-N 2.86Å; L79-I81 PolarHBondContact O-N 3.42Å; I81-G84 PolarHBondContact O-N 3.08Å; I81-F85 VanDerWaalsContact O-CB 3.28Å; I81-F85 WeakPolarHBondContact O-CB 3.44Å; I81-F85 PolarHBondContact O-N 3.32Å
82	T	76.4	Confident	73.8	Confident	78 Å²	78	99 Å²	99	48%	0.479	52%	0.524	S	S	.	.	H	α-helix	trans	-69.6	-40.8	-178.4	49.8	0	0	0	0	112.8	L78 L79 T86	L78-T82 WeakPolarHBondContact O-CG2 3.38Å; L78-T82 PolarHBondContact O-N 3.33Å; L78-T82 PolarHBondContact O-OG1 2.79Å; L79-T82 WeakPolarHBondContact CA-OG1 3.33Å; L79-T82 PolarHBondContact O-N 3.02Å; L79-T82 PolarHBondContact O-OG1 3.39Å; L79-T82 VanDerWaalsContact O-OG1 3.08Å; T82-T86 WeakPolarHBondContact O-CG2 3.41Å; T82-T86 PolarHBondContact O-N 3.48Å; T82-T86 PolarHBondContact O-OG1 2.8Å
83	V	76.4	Confident	72.5	Confident	89 Å²	89	106.1 Å²	106.1	54%	0.539	55%	0.547	S	S	.	.	H	α-helix	trans	-71.3	-39	174.3	177.5	0	0	0	0	111.2	L79 T86 Y87	L79-V83 VanDerWaalsContact O-CB 3.29Å; L79-V83 WeakPolarHBondContact O-CB 3.33Å; L79-V83 VanDerWaalsContact O-CG2 3.23Å; L79-V83 WeakPolarHBondContact O-CG2 3.46Å; L79-V83 PolarHBondContact O-N 3.17Å; V83-T86 WeakPolarHBondContact CA-OG1 3.26Å; V83-T86 PolarHBondContact O-N 3.09Å; V83-T86 PolarHBondContact O-OG1 3.37Å; V83-Y87 VanDerWaalsContact O-CB 3.32Å; V83-Y87 WeakPolarHBondContact O-CB 3.33Å; V83-Y87 PolarHBondContact O-N 3.21Å
84	G	73.7	Confident	70.9	Confident	37 Å²	37	104.6 Å²	104.6	38%	0.381	55%	0.549	S	S	.	.	H	α-helix	trans	-64.2	-41.1	176.1	0	0	0	0	0	112.9	F80 I81 Y87 A88	F80-G84 WeakPolarHBondContact O-CA 3.48Å; F80-G84 PolarHBondContact O-N 3Å; I81-G84 PolarHBondContact O-N 3.08Å; G84-Y87 PolarHBondContact O-N 3.27Å; G84-A88 VanDerWaalsContact O-CB 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.38Å; G84-A88 PolarHBondContact O-N 3.21Å
85	F	68.1	Low	69	Low	137 Å²	137	106.8 Å²	106.8	60%	0.601	56%	0.561	S	S	*	*	H	α-helix	trans	-66.6	-41.8	177.5	-141.4	-91.5	0	0	0	111.6	I81 A88 E89	I81-F85 VanDerWaalsContact O-CB 3.28Å; I81-F85 WeakPolarHBondContact O-CB 3.44Å; I81-F85 PolarHBondContact O-N 3.32Å; F85-A88 PolarHBondContact O-N 2.73Å; F85-E89 PolarHBondContact O-N 3.09Å
86	T	65.8	Low	66.9	Low	80 Å²	80	113.2 Å²	113.2	49%	0.491	58%	0.576	S	S	.	*	H	α-helix	trans	-71.3	-32.2	176.9	51.8	0	0	0	0	113.2	T82 V83 R90	T82-T86 WeakPolarHBondContact O-CG2 3.41Å; T82-T86 PolarHBondContact O-N 3.48Å; T82-T86 PolarHBondContact O-OG1 2.8Å; V83-T86 WeakPolarHBondContact CA-OG1 3.26Å; V83-T86 PolarHBondContact O-N 3.09Å; V83-T86 PolarHBondContact O-OG1 3.37Å; T86-R90 PolarHBondContact O-N 3.42Å; T86-R90 VanDerWaalsContact O-N 3.08Å
87	Y	66.1	Low	64.9	Low	156 Å²	156	115.2 Å²	115.2	61%	0.612	59%	0.589	S	S	*	*	H	α-helix	trans	-71.1	-38.4	172.4	-169.5	-94.6	0	0	0	111.8	V83 G84 R90 K91	V83-Y87 VanDerWaalsContact O-CB 3.32Å; V83-Y87 WeakPolarHBondContact O-CB 3.33Å; V83-Y87 PolarHBondContact O-N 3.21Å; G84-Y87 PolarHBondContact O-N 3.27Å; Y87-R90 PolarHBondContact O-N 2.91Å; Y87-K91 HydrophobicContact CE1-CD 4.09Å; Y87-K91 WeakPolarHBondContact O-CB 3.39Å; Y87-K91 PolarHBondContact O-N 2.85Å
88	A	61.6	Low	62.6	Low	57 Å²	57	119.1 Å²	119.1	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-66.2	-41.8	174.8	0	0	0	0	0	112.2	G84 F85 K91 A92	G84-A88 VanDerWaalsContact O-CB 3.29Å; G84-A88 WeakPolarHBondContact O-CB 3.38Å; G84-A88 PolarHBondContact O-N 3.21Å; F85-A88 PolarHBondContact O-N 2.73Å; A88-K91 PolarHBondContact O-N 3.43Å; A88-A92 VanDerWaalsContact O-CB 3.25Å; A88-A92 WeakPolarHBondContact O-CB 3.47Å; A88-A92 PolarHBondContact O-N 3.32Å
89	E	58.3	Low	60.4	Low	117 Å²	117	123.9 Å²	123.9	55%	0.547	62%	0.62	S	S	.	*	H	α-helix	trans	-63.3	-41.9	173.1	-78.9	-170.3	158.9	0	0	112	F85 A92 Y93	F85-E89 PolarHBondContact O-N 3.09Å; E89-A92 PolarHBondContact O-N 3.36Å; E89-Y93 WeakPolarHBondContact O-CB 3.47Å; E89-Y93 PolarHBondContact O-N 3.5Å
90	R	61.2	Low	58.2	Low	210 Å²	210	123 Å²	123	79%	0.792	64%	0.635	S	S	*	*	H	α-helix	trans	-65.6	-37.5	174.7	-92	-174.4	-171.6	171.6	4	113.4	T86 Y87 G94	T86-R90 PolarHBondContact O-N 3.42Å; T86-R90 VanDerWaalsContact O-N 3.08Å; Y87-R90 PolarHBondContact O-N 2.91Å; R90-G94 PolarHBondContact O-N 3.49Å
91	K	60.2	Low	55.9	Low	137 Å²	137	121.7 Å²	121.7	60%	0.596	64%	0.644	S	S	*	*	H	α-helix	trans	-75.6	-31.8	179.4	-153.7	175	-175.6	177.5	0	111.8	Y87 A88 S95	Y87-K91 HydrophobicContact CE1-CD 4.09Å; Y87-K91 WeakPolarHBondContact O-CB 3.39Å; Y87-K91 PolarHBondContact O-N 2.85Å; A88-K91 PolarHBondContact O-N 3.43Å; K91-S95 VanDerWaalsContact O-CB 3.25Å; K91-S95 WeakPolarHBondContact O-CB 3.11Å; K91-S95 PolarHBondContact O-N 3.34Å
92	A	56.3	Low	53.6	Low	67 Å²	67	126.2 Å²	126.2	55%	0.554	66%	0.663	S	S	*	*	H	α-helix	trans	-69.5	-36	171.4	0	0	0	0	0	112.5	A88 E89	A88-A92 VanDerWaalsContact O-CB 3.25Å; A88-A92 WeakPolarHBondContact O-CB 3.47Å; A88-A92 PolarHBondContact O-N 3.32Å; E89-A92 PolarHBondContact O-N 3.36Å
93	Y	54	Low	51.4	Low	200 Å²	200	132.4 Å²	132.4	78%	0.784	68%	0.683	S	S	*	*	H	α-helix	trans	-78.6	-30.8	173.3	-103.5	-91.3	0	0	0	113.7	E89	E89-Y93 WeakPolarHBondContact O-CB 3.47Å; E89-Y93 PolarHBondContact O-N 3.5Å
94	G	48	Very low	49.2	Very low	44 Å²	44	137.5 Å²	137.5	45%	0.454	70%	0.698	S	S	.	*	H	α-helix	trans	-81.2	-30.9	-179.5	0	0	0	0	0	114.4	R90 Y96	R90-G94 PolarHBondContact O-N 3.49Å; G94-Y96 VanDerWaalsContact C-N 3.25Å; G94-Y96 PolarHBondContact O-N 3.12Å
95	S	46	Very low	47.2	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-5.4	-178.6	-169.4	0	0	0	0	114.2	K91	K91-S95 VanDerWaalsContact O-CB 3.25Å; K91-S95 WeakPolarHBondContact O-CB 3.11Å; K91-S95 PolarHBondContact O-N 3.34Å
96	Y	40.2	Very low	45.2	Very low	212 Å²	212	141.2 Å²	141.2	83%	0.831	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-4	178	-129.6	-90.5	0	0	0	113.6	G94	G94-Y96 VanDerWaalsContact C-N 3.25Å; G94-Y96 PolarHBondContact O-N 3.12Å
97	N	40.4	Very low	43.4	Very low	145 Å²	145	143.9 Å²	143.9	78%	0.775	74%	0.739	S	S	*	*	S	Bend	trans	-111.6	7	-170.9	-90	-9.7	0	0	0	116
98	E	39.2	Very low	41.8	Very low	181 Å²	181	143.1 Å²	143.1	85%	0.846	75%	0.75	S	S	*	*	S	Bend	trans	-130.2	12.7	-169.4	-119.3	178.4	-173.3	0	0	117
99	K	36.1	Very low	40.4	Very low	214 Å²	214	147.8 Å²	147.8	93%	0.93	77%	0.766	S	S	*	*	S	Bend	trans	-140.1	108.4	173.7	-71.1	-176	179.5	176	0	111.8
100	G	32.7	Very low	39.1	Very low	79 Å²	79	148.2 Å²	148.2	81%	0.814	77%	0.772	S	S	*	*			trans	140.9	61.8	159.1	0	0	0	0	0	116.3	E102	G100-E102 PolarHBondContact O-N 3.15Å
101	S	30.4	Very low	37.6	Very low	119 Å²	119	143.1 Å²	143.1	83%	0.832	78%	0.775	S	S	*	*			trans	-71.8	105.7	152.8	56.9	0	0	0	0	109
102	E	34.5	Very low	36.1	Very low	191 Å²	191	142.6 Å²	142.6	89%	0.893	77%	0.772	S	S	*	*			trans	-169.9	140	145.2	-114	178.4	-177	0	0	112.5	G100 K104	G100-E102 PolarHBondContact O-N 3.15Å; E102-K104 PolarHBondContact O-N 3.01Å
103	K	30.6	Very low	34.9	Very low	208 Å²	208	145.2 Å²	145.2	90%	0.904	79%	0.785	S	S	*	*			trans	-53.2	114.1	-177.1	-67.1	167	175.9	172.2	0	112.1
104	K	30.8	Very low	33.7	Very low	196 Å²	196	144 Å²	144	85%	0.852	79%	0.787	S	S	*	*			trans	-136.5	116.1	147.8	-81	-171.8	179.6	174	0	110	E102 C106	E102-K104 PolarHBondContact O-N 3.01Å; K104-C106 PolarHBondContact O-N 3.14Å; K104-C106 VanDerWaalsContact O-N 3.17Å
105	V	29.9	Very low	33.1	Very low	138 Å²	138	146.8 Å²	146.8	84%	0.836	80%	0.799	S	S	*	*			trans	-49.1	114	160.8	175.2	0	0	0	0	108
106	C	27.7	Very low	32.3	Very low	115 Å²	115	149.3 Å²	149.3	78%	0.777	80%	0.8	S	S	*	*			trans	-140.2	112.6	164.6	-88.7	0	0	0	0	107	K104	K104-C106 PolarHBondContact O-N 3.14Å; K104-C106 VanDerWaalsContact O-N 3.17Å
107	N	28.1	Very low	32	Very low	136 Å²	136	144.7 Å²	144.7	73%	0.727	79%	0.794	S	S	*	*			trans	-47.7	145.7	177.7	-70.9	-33.6	0	0	0	111.3	I109	N107-I109 PolarHBondContact O-N 2.97Å
108	V	32.4	Very low	31.5	Very low	139 Å²	139	141.3 Å²	141.3	84%	0.842	78%	0.781	S	S	*	*			trans	-55.2	89.6	164.2	179.5	0	0	0	0	108	N110	V108-N110 PolarHBondContact O-N 3.24Å
109	I	32.2	Very low	31.2	Very low	155 Å²	155	138.3 Å²	138.3	80%	0.795	77%	0.771	S	S	*	*			trans	-87.4	101	167.5	-62.7	177.5	0	0	0	105.4	N107 A111	N107-I109 PolarHBondContact O-N 2.97Å; I109-A111 PolarHBondContact O-N 3.46Å
110	N	29.1	Very low	31.1	Very low	127 Å²	127	133.1 Å²	133.1	68%	0.679	76%	0.757	S	S	*	*			trans	-29.1	120.7	161	-76.6	-36	0	0	0	110.9	V108 K112	V108-N110 PolarHBondContact O-N 3.24Å; N110-K112 PolarHBondContact O-N 3.41Å
111	A	31.4	Very low	31.2	Very low	102 Å²	102	135.8 Å²	135.8	84%	0.843	75%	0.753	S	S	*	*			trans	-66.2	80.9	158.8	0	0	0	0	0	107.5	I109 C113	I109-A111 PolarHBondContact O-N 3.46Å; A111-C113 VanDerWaalsContact C-N 3.33Å; A111-C113 PolarHBondContact O-N 2.97Å
112	K	27.8	Very low	31.4	Very low	127 Å²	127	138 Å²	138	55%	0.552	75%	0.75	S	S	*	*			trans	-64.9	94.5	174.5	-144.9	177.8	-169.3	-162.3	0	105.8	N110 Q114 E116	N110-K112 PolarHBondContact O-N 3.41Å; K112-Q114 PolarHBondContact O-N 2.98Å; K112-E116 VanDerWaalsContact CE-OE1 3.28Å; K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 VanDerWaalsContact NZ-CD 3.27Å; K112-E116 IonicContact NZ-OE1 2.74Å; K112-E116 PolarHBondContact NZ-OE1 3.25Å; K112-E116 IonicContact NZ-OE2 3.31Å; K112-E116 PolarHBondContact NZ-OE2 3.44Å
113	C	32.3	Very low	31.3	Very low	122 Å²	122	137.3 Å²	137.3	82%	0.824	74%	0.744	S	S	*	*			trans	-61	95.8	155.7	-72.5	0	0	0	0	105.6	A111 S115	A111-C113 VanDerWaalsContact C-N 3.33Å; A111-C113 PolarHBondContact O-N 2.97Å; C113-S115 VanDerWaalsContact C-N 3.3Å; C113-S115 PolarHBondContact O-N 2.91Å
114	Q	28.4	Very low	31.2	Very low	175 Å²	175	136 Å²	136	82%	0.818	74%	0.741	S	S	*	*			trans	-63.7	94.4	175.2	-78	176.1	-14.2	0	0	108.8	K112	K112-Q114 PolarHBondContact O-N 2.98Å
115	S	35.1	Very low	31.2	Very low	101 Å²	101	132.9 Å²	132.9	71%	0.706	73%	0.733	S	S	*	*			trans	-137.9	58.5	144.3	69.4	0	0	0	0	108	C113 V117	C113-S115 VanDerWaalsContact C-N 3.3Å; C113-S115 PolarHBondContact O-N 2.91Å; S115-V117 PolarHBondContact O-N 2.87Å; S115-V117 VanDerWaalsContact O-N 3.14Å
116	E	28	Very low	31.3	Very low	153 Å²	153	132.8 Å²	132.8	72%	0.715	72%	0.723	S	S	*	*			trans	-74.5	76.8	148.9	-81	168.3	-180	0	0	105.7	K112	K112-E116 VanDerWaalsContact CE-OE1 3.28Å; K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 VanDerWaalsContact NZ-CD 3.27Å; K112-E116 IonicContact NZ-OE1 2.74Å; K112-E116 PolarHBondContact NZ-OE1 3.25Å; K112-E116 IonicContact NZ-OE2 3.31Å; K112-E116 PolarHBondContact NZ-OE2 3.44Å
117	V	35.2	Very low	31.2	Very low	116 Å²	116	138.8 Å²	138.8	70%	0.703	73%	0.73	S	S	*	*			trans	-83.8	122.1	146.4	179.3	0	0	0	0	103.1	S115 D119	S115-V117 PolarHBondContact O-N 2.87Å; S115-V117 VanDerWaalsContact O-N 3.14Å; V117-D119 PolarHBondContact O-N 3.21Å
118	S	30	Very low	31.3	Very low	73 Å²	73	139.3 Å²	139.3	51%	0.51	73%	0.732	S	S	.	*			trans	-45.8	94.5	179.6	40.3	0	0	0	0	112.4	T120	S118-T120 WeakPolarHBondContact CB-OG1 3.3Å; S118-T120 PolarHBondContact O-N 2.65Å
119	D	32.9	Very low	31	Very low	119 Å²	119	139.9 Å²	139.9	64%	0.636	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	18	163.4	-91.7	-13.4	0	0	0	111.9	V117	V117-D119 PolarHBondContact O-N 3.21Å
120	T	33.8	Very low	30.7	Very low	104 Å²	104	137.3 Å²	137.3	64%	0.638	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-15.1	176.9	33	0	0	0	0	113.8	S118	S118-T120 WeakPolarHBondContact CB-OG1 3.3Å; S118-T120 PolarHBondContact O-N 2.65Å
121	D	33.4	Very low	30.8	Very low	135 Å²	135	137.3 Å²	137.3	72%	0.722	73%	0.725	S	S	*	*	S	Bend	trans	-97.3	-9.5	178.7	-63.7	-27.6	0	0	0	113.9
122	E	35.8	Very low	30.7	Very low	165 Å²	165	142.6 Å²	142.6	77%	0.771	72%	0.723	S	S	*	*	S	Bend	trans	-92.6	3.4	173.8	-75.2	-166.4	170.9	0	0	113.7
123	K	31.5	Very low	31.4	Very low	177 Å²	177	144.1 Å²	144.1	77%	0.77	73%	0.73	S	S	*	*	S	Bend	trans	-100.3	5.9	180	-75.2	-176.8	-179.2	174.1	0	115
124	Q	30.2	Very low	32.1	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	73%	0.732	S	S	*	*	S	Bend	trans	-124.9	13	-179.9	-72	-166.2	-10.8	0	0	116
125	L	30.8	Very low	33.5	Very low	131 Å²	131	148.9 Å²	148.9	69%	0.686	74%	0.736	S	S	*	*	S	Bend	trans	-136.8	129.6	173	-145.2	75.1	0	0	0	110.7
126	H	32	Very low	35.2	Very low	136 Å²	136	146 Å²	146	63%	0.63	72%	0.719	S	S	*	*			trans	85	69.9	176	-57.3	-83.7	0	0	0	118.2	N128	H126-N128 PolarHBondContact O-N 2.98Å
127	R	25.5	Very low	37.9	Very low	241 Å²	241	140.1 Å²	140.1	91%	0.909	70%	0.7	S	S	*	*				-60.8	104.8	120.1	-88.1	176.9	169.9	171.1	-3.7	106.5
128	N	28.6	Very low	40.3	Very low	146 Å²	146	141.2 Å²	141.2	78%	0.781	70%	0.695	S	S	*	*			trans	-174.8	139.5	149.5	-88.6	-11.8	0	0	0	109.6	H126	H126-N128 PolarHBondContact O-N 2.98Å
129	D	26.3	Very low	43.1	Very low	151 Å²	151	145.6 Å²	145.6	81%	0.807	70%	0.701	S	S	*	*			trans	-72.6	151.1	-157.2	-81.3	-56.3	0	0	0	116
130	S	27.3	Very low	45.8	Very low	101 Å²	101	142.2 Å²	142.2	71%	0.706	68%	0.682	S	S	*	*	S	Bend	trans	70.7	139.5	157.2	76.4	0	0	0	0	117.3
131	I	30.8	Very low	48.4	Very low	127 Å²	127	144 Å²	144	65%	0.651	68%	0.677	S	S	*	*			trans	83	51.1	178.8	-36.6	128.3	0	0	0	115.3
132	R	29	Very low	51.1	Low	213 Å²	213	143.6 Å²	143.6	80%	0.804	67%	0.669	S	S	*	*			trans	-106.8	106.1	152.3	-73.4	-174.6	177.4	-171.5	-0.9	108.6	K134	R132-K134 PolarHBondContact O-N 3.03Å
133	K	43.2	Very low	53.7	Low	160 Å²	160	138.4 Å²	138.4	70%	0.696	64%	0.644	S	S	*	*			trans	-55.4	110.5	159.3	-78	-175.2	178	179	0	105.5	H135 E353	K133-H135 PolarHBondContact O-N 3.47Å; K133-E353 WeakPolarHBondContact CE-OE2 3.42Å; K133-E353 IonicContact NZ-OE2 3.56Å; K133-E353 PolarHBondContact NZ-OE2 2.65Å
134	K	47.4	Very low	56.6	Low	201 Å²	201	131.8 Å²	131.8	87%	0.874	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-46.3	127.6	-177.3	-72.5	179.2	178.4	175.9	0	108.2	R132 A136	R132-K134 PolarHBondContact O-N 3.03Å; K134-A136 PolarHBondContact O-N 3.29Å
135	H	57.5	Low	59.5	Low	195 Å²	195	125 Å²	125	90%	0.903	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-49	119.8	174.8	-92.6	-72.8	0	0	0	109	K133 G137	K133-H135 PolarHBondContact O-N 3.47Å; H135-G137 PolarHBondContact O-N 2.87Å
136	A	69.7	Low	62.6	Low	40 Å²	40	122.9 Å²	122.9	33%	0.331	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-52.4	126	-176.7	0	0	0	0	0	110.2	K134 D140 R141	K134-A136 PolarHBondContact O-N 3.29Å; A136-D140 HydrophobicContact CB-CB 3.98Å; A136-R141 HydrophobicContact CB-CG 4.29Å; A136-R141 PolarHBondContact O-NE 3.22Å
137	G	84.4	Confident	65.5	Low	31 Å²	31	116.4 Å²	116.4	32%	0.32	55%	0.545	S	S	.	.	P	Polyproline II helix	trans	-59.4	165.3	-179.5	0	0	0	0	0	111.4	H135 R139 D140 R141	H135-G137 PolarHBondContact O-N 2.87Å; G137-R139 PolarHBondContact O-N 3.18Å; G137-D140 PolarHBondContact N-OD2 2.9Å; G137-D140 VanDerWaalsContact N-OD2 3.16Å; G137-D140 PolarHBondContact O-N 3.47Å; G137-D140 VanDerWaalsContact O-N 3.15Å; G137-R141 PolarHBondContact O-N 3.05Å
138	F	85.4	Confident	68.7	Low	138 Å²	138	107.3 Å²	107.3	61%	0.605	52%	0.515	S	S	*	.	H	α-helix	trans	-55	-39	173.8	176.2	-101.5	0	0	0	111.8	K142	F138-K142 HydrophobicContact CD1-CD 4.34Å; F138-K142 HydrophobicContact CE1-CD 3.75Å; F138-K142 HydrophobicContact CE1-CG 4.49Å; F138-K142 HydrophobicContact CZ-CD 4.02Å; F138-K142 PolarHBondContact O-N 3.26Å; F138-K142 VanDerWaalsContact O-N 3.14Å
139	R	88.9	Confident	71.8	Confident	166 Å²	166	106.7 Å²	106.7	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-58.1	-54.6	173.5	-178.6	177.3	159	164.7	-1.9	111.1	G137 R141 K142 F143	G137-R139 PolarHBondContact O-N 3.18Å; R139-R141 VanDerWaalsContact C-N 3.31Å; R139-R141 PolarHBondContact O-N 2.96Å; R139-K142 WeakPolarHBondContact O-CB 3.43Å; R139-K142 PolarHBondContact O-N 2.79Å; R139-F143 HydrophobicContact CG-CD2 3.69Å; R139-F143 HydrophobicContact CG-CE2 3.45Å; R139-F143 VanDerWaalsContact CG-CE2 3.45Å; R139-F143 VanDerWaalsContact O-CD2 3.25Å; R139-F143 WeakPolarHBondContact O-CD2 3.49Å; R139-F143 PolarHBondContact O-N 2.72Å
140	D	89.6	Confident	74.9	Confident	48 Å²	48	99.6 Å²	99.6	26%	0.257	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-40	-178.7	-60.9	-43.7	0	0	0	112.5	A136 G137 K142 F143 I144 K192	A136-D140 HydrophobicContact CB-CB 3.98Å; G137-D140 PolarHBondContact N-OD2 2.9Å; G137-D140 VanDerWaalsContact N-OD2 3.16Å; G137-D140 PolarHBondContact O-N 3.47Å; G137-D140 VanDerWaalsContact O-N 3.15Å; D140-K142 VanDerWaalsContact C-N 3.3Å; D140-K142 PolarHBondContact O-N 3.02Å; D140-F143 PolarHBondContact O-N 3.48Å; D140-I144 VanDerWaalsContact O-CG1 3.27Å; D140-I144 WeakPolarHBondContact O-CG1 3.3Å; D140-I144 PolarHBondContact O-N 3.04Å; D140-K192 IonicContact OD1-NZ 3.32Å; D140-K192 PolarHBondContact OD1-NZ 2.88Å
141	R	88.5	Confident	78	Confident	140 Å²	140	95.8 Å²	95.8	53%	0.528	43%	0.434	S	S	.	.	H	α-helix	trans	-60.1	-40.4	174.7	-75.4	-176	-93.5	173.1	-5.5	112.3	A136 G137 R139 A145	A136-R141 HydrophobicContact CB-CG 4.29Å; A136-R141 PolarHBondContact O-NE 3.22Å; G137-R141 PolarHBondContact O-N 3.05Å; R139-R141 VanDerWaalsContact C-N 3.31Å; R139-R141 PolarHBondContact O-N 2.96Å; R141-A145 WeakPolarHBondContact O-CB 3.22Å; R141-A145 PolarHBondContact O-N 3.1Å
142	K	90.6	Very high	80.8	Confident	127 Å²	127	91.6 Å²	91.6	55%	0.552	42%	0.418	S	S	*	.	H	α-helix	trans	-65.4	-41.2	174.2	-80.3	-172.5	166	-179.5	0	112.3	F138 R139 D140 A145 Y146	F138-K142 HydrophobicContact CD1-CD 4.34Å; F138-K142 HydrophobicContact CE1-CD 3.75Å; F138-K142 HydrophobicContact CE1-CG 4.49Å; F138-K142 HydrophobicContact CZ-CD 4.02Å; F138-K142 PolarHBondContact O-N 3.26Å; F138-K142 VanDerWaalsContact O-N 3.14Å; R139-K142 WeakPolarHBondContact O-CB 3.43Å; R139-K142 PolarHBondContact O-N 2.79Å; D140-K142 VanDerWaalsContact C-N 3.3Å; D140-K142 PolarHBondContact O-N 3.02Å; K142-A145 PolarHBondContact O-N 2.75Å; K142-Y146 WeakPolarHBondContact O-CB 3.15Å; K142-Y146 PolarHBondContact O-N 2.87Å
143	F	91.6	Very high	83.7	Confident	57 Å²	57	88.6 Å²	88.6	25%	0.25	41%	0.408	C	S	.	.	H	α-helix	trans	-62.4	-49.8	175.1	-83.5	-78.1	0	0	0	111.6	R139 D140 A145 Y146 E147 K192	R139-F143 HydrophobicContact CG-CD2 3.69Å; R139-F143 HydrophobicContact CG-CE2 3.45Å; R139-F143 VanDerWaalsContact CG-CE2 3.45Å; R139-F143 VanDerWaalsContact O-CD2 3.25Å; R139-F143 WeakPolarHBondContact O-CD2 3.49Å; R139-F143 PolarHBondContact O-N 2.72Å; D140-F143 PolarHBondContact O-N 3.48Å; F143-A145 VanDerWaalsContact C-N 3.28Å; F143-A145 PolarHBondContact O-N 3.27Å; F143-Y146 WeakPolarHBondContact O-CA 3.27Å; F143-Y146 WeakPolarHBondContact O-CB 3.41Å; F143-Y146 PolarHBondContact O-N 3.49Å; F143-E147 WeakPolarHBondContact O-CG 3.42Å; F143-E147 PolarHBondContact O-N 3.25Å; F143-K192 HydrophobicContact CB-CD 4.5Å; F143-K192 HydrophobicContact CB-CG 4.43Å
144	I	92.2	Very high	86	Confident	37 Å²	37	81.9 Å²	81.9	19%	0.19	38%	0.381	C	S	.	.	H	α-helix	trans	-57	-43.3	176.8	-67.9	165.8	0	0	0	110.9	D140 Y146 E147 N148 K192	D140-I144 VanDerWaalsContact O-CG1 3.27Å; D140-I144 WeakPolarHBondContact O-CG1 3.3Å; D140-I144 PolarHBondContact O-N 3.04Å; I144-Y146 VanDerWaalsContact C-N 3.33Å; I144-Y146 PolarHBondContact O-N 3.36Å; I144-E147 PolarHBondContact O-N 2.86Å; I144-N148 WeakPolarHBondContact O-CB 3.25Å; I144-N148 PolarHBondContact O-N 2.9Å; I144-N148 PolarHBondContact O-ND2 3.08Å; I144-K192 HydrophobicContact CG1-CB 4.06Å
145	A	91.1	Very high	88.1	Confident	39 Å²	39	75.3 Å²	75.3	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-65.1	-36	176.8	0	0	0	0	0	112.6	R141 K142 F143 R149	R141-A145 WeakPolarHBondContact O-CB 3.22Å; R141-A145 PolarHBondContact O-N 3.1Å; K142-A145 PolarHBondContact O-N 2.75Å; F143-A145 VanDerWaalsContact C-N 3.28Å; F143-A145 PolarHBondContact O-N 3.27Å; A145-R149 WeakPolarHBondContact O-CG 3.08Å; A145-R149 PolarHBondContact O-N 3.05Å; A145-R149 PolarHBondContact O-NH1 2.52Å; A145-R149 VanDerWaalsContact O-NH1 3.08Å
146	Y	94.1	Very high	89.7	Confident	87 Å²	87	66 Å²	66	34%	0.341	31%	0.314	S	S	.	.	H	α-helix	trans	-66.5	-48.4	174.6	172	-105.6	0	0	0	111.8	K142 F143 I144 N148 R149 I150 Y162	K142-Y146 WeakPolarHBondContact O-CB 3.15Å; K142-Y146 PolarHBondContact O-N 2.87Å; F143-Y146 WeakPolarHBondContact O-CA 3.27Å; F143-Y146 WeakPolarHBondContact O-CB 3.41Å; F143-Y146 PolarHBondContact O-N 3.49Å; I144-Y146 VanDerWaalsContact C-N 3.33Å; I144-Y146 PolarHBondContact O-N 3.36Å; Y146-N148 VanDerWaalsContact C-N 3.33Å; Y146-N148 PolarHBondContact O-N 3.49Å; Y146-R149 WeakPolarHBondContact O-CA 3.33Å; Y146-R149 WeakPolarHBondContact O-CB 3.43Å; Y146-R149 PolarHBondContact O-N 3.35Å; Y146-I150 HydrophobicContact CD1-CD1 4Å; Y146-I150 HydrophobicContact CE1-CD1 3.35Å; Y146-I150 HydrophobicContact CE1-CG1 4.19Å; Y146-I150 HydrophobicContact CE2-CD1 4.45Å; Y146-I150 PolarHBondContact O-N 3.06Å; Y146-Y162 AromaticContact CE1-CE2 3.87Å; Y146-Y162 HydrophobicContact CE1-CE2 3.87Å
147	E	94.9	Very high	90.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-38.9	178.3	-70.2	179.5	-176	0	0	112.4	F143 I144 R149 I150 R151 Y162 F163 K192 Q193	F143-E147 WeakPolarHBondContact O-CG 3.42Å; F143-E147 PolarHBondContact O-N 3.25Å; I144-E147 PolarHBondContact O-N 2.86Å; E147-R149 PolarHBondContact O-N 3.33Å; E147-I150 WeakPolarHBondContact O-CA 3.36Å; E147-I150 WeakPolarHBondContact O-CB 3.4Å; E147-I150 PolarHBondContact O-N 2.76Å; E147-R151 WeakPolarHBondContact O-CG 3.38Å; E147-R151 PolarHBondContact O-N 3.38Å; E147-R151 IonicContact OE2-NH2 2.82Å; E147-Y162 HydrophobicContact CG-CE1 3.7Å; E147-Y162 WeakPolarHBondContact CG-OH 3.34Å; E147-Y162 PolarHBondContact OE1-OH 3.05Å; E147-F163 HydrophobicContact CB-CZ 4.32Å; E147-K192 WeakPolarHBondContact OE2-CA 3.39Å; E147-Q193 WeakPolarHBondContact OE1-CB 3.39Å; E147-Q193 PolarHBondContact OE1-N 2.59Å; E147-Q193 PolarHBondContact OE2-N 3.48Å
148	N	92.6	Very high	91.2	Very high	49 Å²	49	66.1 Å²	66.1	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-35.5	172.8	-71.6	-19.3	0	0	0	112.3	I144 Y146 R151 A152 P189 G190	I144-N148 WeakPolarHBondContact O-CB 3.25Å; I144-N148 PolarHBondContact O-N 2.9Å; I144-N148 PolarHBondContact O-ND2 3.08Å; Y146-N148 VanDerWaalsContact C-N 3.33Å; Y146-N148 PolarHBondContact O-N 3.49Å; N148-R151 PolarHBondContact OD1-NH1 3.07Å; N148-A152 VanDerWaalsContact O-CB 3.32Å; N148-A152 WeakPolarHBondContact O-CB 3.3Å; N148-A152 PolarHBondContact O-N 3.4Å; N148-A152 VanDerWaalsContact O-N 3.12Å; N148-P189 VanDerWaalsContact OD1-CA 3.3Å; N148-P189 WeakPolarHBondContact OD1-CA 3.45Å; N148-P189 WeakPolarHBondContact OD1-CB 3.33Å; N148-G190 PolarHBondContact OD1-N 3.07Å
149	R	92.1	Very high	91.7	Very high	133 Å²	133	59.9 Å²	59.9	50%	0.502	27%	0.272	S	S	.	.	H	α-helix	trans	-70.4	-33.8	172.7	-67.9	-171.6	-58.3	-86.3	8.4	112.1	A145 Y146 E147 A152 Y153	A145-R149 WeakPolarHBondContact O-CG 3.08Å; A145-R149 PolarHBondContact O-N 3.05Å; A145-R149 PolarHBondContact O-NH1 2.52Å; A145-R149 VanDerWaalsContact O-NH1 3.08Å; Y146-R149 WeakPolarHBondContact O-CA 3.33Å; Y146-R149 WeakPolarHBondContact O-CB 3.43Å; Y146-R149 PolarHBondContact O-N 3.35Å; E147-R149 PolarHBondContact O-N 3.33Å; R149-A152 PolarHBondContact O-N 3.1Å; R149-Y153 PolarHBondContact O-N 3.24Å
150	I	93	Very high	91.9	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-60.1	-54.7	172.5	-70.4	-179.5	0	0	0	109.7	Y146 E147 A152 Y153 S154 I159 Y162 F163	Y146-I150 HydrophobicContact CD1-CD1 4Å; Y146-I150 HydrophobicContact CE1-CD1 3.35Å; Y146-I150 HydrophobicContact CE1-CG1 4.19Å; Y146-I150 HydrophobicContact CE2-CD1 4.45Å; Y146-I150 PolarHBondContact O-N 3.06Å; E147-I150 WeakPolarHBondContact O-CA 3.36Å; E147-I150 WeakPolarHBondContact O-CB 3.4Å; E147-I150 PolarHBondContact O-N 2.76Å; I150-A152 PolarHBondContact O-N 3.42Å; I150-Y153 PolarHBondContact O-N 3.44Å; I150-S154 WeakPolarHBondContact CA-OG 3.32Å; I150-S154 WeakPolarHBondContact O-CB 3.27Å; I150-S154 PolarHBondContact O-N 3.27Å; I150-S154 PolarHBondContact O-OG 3.11Å; I150-I159 HydrophobicContact CG2-CG1 3.99Å; I150-Y162 HydrophobicContact CD1-CD1 4.29Å; I150-Y162 HydrophobicContact CD1-CD2 3.46Å; I150-Y162 VanDerWaalsContact CD1-CD2 3.46Å; I150-Y162 HydrophobicContact CD1-CE1 4.34Å; I150-Y162 HydrophobicContact CD1-CE2 3.51Å; I150-Y162 HydrophobicContact CD1-CG 3.88Å; I150-F163 HydrophobicContact CG2-CE2 4.2Å
151	R	92.6	Very high	92.2	Very high	22 Å²	22	51.8 Å²	51.8	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-56.1	-36.8	179.5	-62.6	-174.9	-175.9	102.4	1.2	113.1	E147 N148 F163 R185 S186 T188 I191 M490	E147-R151 WeakPolarHBondContact O-CG 3.38Å; E147-R151 PolarHBondContact O-N 3.38Å; E147-R151 IonicContact OE2-NH2 2.82Å; N148-R151 PolarHBondContact OD1-NH1 3.07Å; R151-F163 HydrophobicContact CG-CE2 3.93Å; R151-F163 HydrophobicContact CG-CZ 3.99Å; R151-R185 VanDerWaalsContact CZ-O 3.31Å; R151-R185 PolarHBondContact NE-O 2.89Å; R151-R185 PolarHBondContact NH2-O 2.84Å; R151-S186 VanDerWaalsContact CD-O 3.26Å; R151-S186 WeakPolarHBondContact CD-O 3.27Å; R151-S186 VanDerWaalsContact CG-O 3.24Å; R151-S186 WeakPolarHBondContact CG-O 3.45Å; R151-S186 PolarHBondContact NE-O 2.86Å; R151-T188 PolarHBondContact NE-O 2.64Å; R151-T188 VanDerWaalsContact NE-O 3.14Å; R151-T188 PolarHBondContact NH1-O 3.11Å; R151-T188 PolarHBondContact NH2-O 3.22Å; R151-T188 VanDerWaalsContact NH2-O 3.17Å; R151-I191 PolarHBondContact NH1-O 2.81Å; R151-I191 PolarHBondContact NH2-O 3.44Å; R151-M490 WeakPolarHBondContact O-CE 3.47Å
152	A	89	Confident	92.6	Very high	39 Å²	39	45.3 Å²	45.3	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-88.3	-22.3	-173.6	0	0	0	0	0	115.5	N148 R149 I150 M490	N148-A152 VanDerWaalsContact O-CB 3.32Å; N148-A152 WeakPolarHBondContact O-CB 3.3Å; N148-A152 PolarHBondContact O-N 3.4Å; N148-A152 VanDerWaalsContact O-N 3.12Å; R149-A152 PolarHBondContact O-N 3.1Å; I150-A152 PolarHBondContact O-N 3.42Å; A152-M490 VanDerWaalsContact C-CE 3.48Å
153	Y	89.3	Confident	92.9	Very high	150 Å²	150	39.3 Å²	39.3	59%	0.588	19%	0.187	S	C	*	.	H	α-helix	trans	-140.8	-12	-169.8	-56.6	-62.3	0	0	0	115.6	R149 I150	R149-Y153 PolarHBondContact O-N 3.24Å; I150-Y153 PolarHBondContact O-N 3.44Å
154	S	91.3	Very high	93.1	Very high	19 Å²	19	36.6 Å²	36.6	13%	0.133	18%	0.175	C	C	.	.	S	Bend	trans	-79.1	161.2	179.4	-65.7	0	0	0	0	112.1	I150 M490	I150-S154 WeakPolarHBondContact CA-OG 3.32Å; I150-S154 WeakPolarHBondContact O-CB 3.27Å; I150-S154 PolarHBondContact O-N 3.27Å; I150-S154 PolarHBondContact O-OG 3.11Å; S154-M490 WeakPolarHBondContact O-CE 3.47Å
155	T	91.4	Very high	93.2	Very high	62 Å²	62	35.1 Å²	35.1	38%	0.38	17%	0.168	S	C	.	.			trans	-65.4	149.9	172.7	54.4	0	0	0	0	110.6	D157 K158 I159	T155-D157 VanDerWaalsContact C-N 3.26Å; T155-D157 PolarHBondContact O-N 3.02Å; T155-K158 PolarHBondContact O-N 3.01Å; T155-K158 PolarHBondContact OG1-N 3.28Å; T155-I159 WeakPolarHBondContact O-CG1 3.29Å; T155-I159 PolarHBondContact O-N 3.15Å
156	P	91.5	Very high	93.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.2	-37.8	176.4	-27.6	34.8	0	0	0	113.9	K158 I159 F160 F245 I246 M292 R295 H296	P156-K158 PolarHBondContact O-N 3.49Å; P156-I159 PolarHBondContact O-N 3.27Å; P156-F160 WeakPolarHBondContact O-CB 3.48Å; P156-F160 PolarHBondContact O-N 2.62Å; P156-F245 HydrophobicContact CB-CE1 4.37Å; P156-I246 HydrophobicContact CB-CD1 3.32Å; P156-I246 HydrophobicContact CG-CD1 4.19Å; P156-M292 HydrophobicContact CG-CB 4.27Å; P156-M292 WeakPolarHBondContact CG-O 3.31Å; P156-R295 HydrophobicContact CG-CB 4.46Å; P156-H296 HydrophobicContact CG-CB 4.42Å
157	D	92.4	Very high	93.4	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.043	15%	0.149	C	C	.	.	H	α-helix	trans	-53.9	-49.6	171.5	163.7	42.9	0	0	0	111.8	T155 F160 R161 F242 N299 T302 C304	T155-D157 VanDerWaalsContact C-N 3.26Å; T155-D157 PolarHBondContact O-N 3.02Å; D157-F160 PolarHBondContact O-N 3.44Å; D157-R161 PolarHBondContact O-N 2.87Å; D157-R161 IonicContact OD1-CZ 3.79Å; D157-R161 IonicContact OD1-NE 3.04Å; D157-R161 PolarHBondContact OD1-NE 2.85Å; D157-R161 IonicContact OD1-NH2 2.88Å; D157-R161 IonicContact OD2-CZ 3.23Å; D157-R161 IonicContact OD2-NE 3.78Å; D157-R161 IonicContact OD2-NH2 3.73Å; D157-R161 PolarHBondContact OD2-NH2 3.08Å; D157-F242 HydrophobicContact CB-CE2 4.31Å; D157-F242 HydrophobicContact CB-CZ 4.41Å; D157-N299 PolarHBondContact OD2-ND2 3.48Å; D157-T302 PolarHBondContact OD1-OG1 3.31Å; D157-C304 HydrophobicContact CB-CB 4.12Å; D157-C304 WeakPolarHBondContact OD1-CB 3.5Å; D157-C304 PolarHBondContact OD1-SG 3.22Å
158	K	93.5	Very high	93.3	Very high	66 Å²	66	32 Å²	32	29%	0.287	15%	0.15	S	C	.	.	H	α-helix	trans	-67.3	-39.1	179.1	-178.1	173.7	178.7	-178.2	0	112.1	T155 P156 F160 Y162	T155-K158 PolarHBondContact O-N 3.01Å; T155-K158 PolarHBondContact OG1-N 3.28Å; P156-K158 PolarHBondContact O-N 3.49Å; K158-F160 VanDerWaalsContact C-N 3.31Å; K158-Y162 VanDerWaalsContact O-CB 3.22Å; K158-Y162 WeakPolarHBondContact O-CB 3.09Å; K158-Y162 PolarHBondContact O-N 3.11Å
159	I	94.7	Very high	92.9	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-46	175.5	-63.7	170.5	0	0	0	109.3	I150 T155 P156 Y162 F163 F245 M490	I150-I159 HydrophobicContact CG2-CG1 3.99Å; T155-I159 WeakPolarHBondContact O-CG1 3.29Å; T155-I159 PolarHBondContact O-N 3.15Å; P156-I159 PolarHBondContact O-N 3.27Å; I159-Y162 PolarHBondContact O-N 2.95Å; I159-F163 HydrophobicContact CG2-CD2 3.86Å; I159-F163 HydrophobicContact CG2-CE2 4.19Å; I159-F163 WeakPolarHBondContact O-CD2 3.34Å; I159-F163 PolarHBondContact O-N 3.35Å; I159-F163 VanDerWaalsContact O-N 3.1Å; I159-F245 HydrophobicContact CB-CZ 4.43Å; I159-F245 HydrophobicContact CG2-CZ 3.89Å; I159-M490 HydrophobicContact CD1-CE 3.94Å
160	F	95.1	Very high	92.4	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.013	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-55.9	178.9	-178.8	-102.5	0	0	0	111.5	P156 D157 K158 Y162 F163 A164 V176 M178 F242 F245	P156-F160 WeakPolarHBondContact O-CB 3.48Å; P156-F160 PolarHBondContact O-N 2.62Å; D157-F160 PolarHBondContact O-N 3.44Å; K158-F160 VanDerWaalsContact C-N 3.31Å; F160-Y162 PolarHBondContact O-N 2.94Å; F160-F163 PolarHBondContact O-N 2.98Å; F160-A164 WeakPolarHBondContact O-CB 3.29Å; F160-A164 PolarHBondContact O-N 3.14Å; F160-V176 HydrophobicContact CE1-CB 4.09Å; F160-V176 HydrophobicContact CE1-CG1 3.87Å; F160-V176 HydrophobicContact CZ-CG1 4.37Å; F160-V176 WeakPolarHBondContact CZ-O 3.27Å; F160-M178 HydrophobicContact CB-CE 4.36Å; F160-M178 HydrophobicContact CD2-CE 3.68Å; F160-M178 HydrophobicContact CD2-CG 4.04Å; F160-M178 HydrophobicContact CD2-SD 3.68Å; F160-M178 HydrophobicContact CE2-CB 4.3Å; F160-M178 HydrophobicContact CE2-CE 4.31Å; F160-M178 HydrophobicContact CE2-CG 3.73Å; F160-M178 HydrophobicContact CE2-SD 3.9Å; F160-M178 HydrophobicContact CG-CE 4.24Å; F160-M178 WeakPolarHBondContact O-CE 3.28Å; F160-F242 HydrophobicContact CB-CD2 3.72Å; F160-F242 HydrophobicContact CB-CE2 4.12Å; F160-F242 HydrophobicContact CD1-CB 4.01Å; F160-F242 AromaticContact CD1-CD2 3.82Å; F160-F242 HydrophobicContact CD1-CD2 3.82Å; F160-F242 HydrophobicContact CD1-CG 4.37Å; F160-F242 HydrophobicContact CD2-CD2 4.23Å; F160-F242 HydrophobicContact CE1-CB 3.86Å; F160-F242 HydrophobicContact CE2-CB 4.43Å; F160-F242 HydrophobicContact CG-CB 4.37Å; F160-F242 AromaticContact CG-CD2 3.66Å; F160-F242 HydrophobicContact CG-CD2 3.66Å; F160-F242 HydrophobicContact CZ-CB 4.09Å; F160-F242 VanDerWaalsContact CZ-N 3.32Å; F160-F245 HydrophobicContact CB-CD1 3.98Å; F160-F245 HydrophobicContact CB-CE1 4Å; F160-F245 HydrophobicContact CD2-CB 3.72Å; F160-F245 AromaticContact CD2-CD1 3.89Å; F160-F245 HydrophobicContact CD2-CD1 3.89Å; F160-F245 HydrophobicContact CD2-CD2 4.21Å; F160-F245 AromaticContact CD2-CG 3.68Å; F160-F245 HydrophobicContact CD2-CG 3.68Å; F160-F245 HydrophobicContact CE2-CB 3.99Å; F160-F245 HydrophobicContact CE2-CG 4.41Å; F160-F245 HydrophobicContact CG-CD1 4.33Å
161	R	94.5	Very high	91.1	Very high	40 Å²	40	40 Å²	40	15%	0.151	19%	0.193	C	C	.	.	H	α-helix	trans	-65.6	-23.4	-179.1	-68.7	-173.2	-67.5	125.2	-6.2	114.7	D157 L199 D200 T302	D157-R161 PolarHBondContact O-N 2.87Å; D157-R161 IonicContact OD1-CZ 3.79Å; D157-R161 IonicContact OD1-NE 3.04Å; D157-R161 PolarHBondContact OD1-NE 2.85Å; D157-R161 IonicContact OD1-NH2 2.88Å; D157-R161 IonicContact OD2-CZ 3.23Å; D157-R161 IonicContact OD2-NE 3.78Å; D157-R161 IonicContact OD2-NH2 3.73Å; D157-R161 PolarHBondContact OD2-NH2 3.08Å; R161-L199 HydrophobicContact CB-CD1 4.05Å; R161-D200 WeakPolarHBondContact CD-OD1 3.46Å; R161-D200 IonicContact CZ-OD1 3Å; R161-D200 IonicContact NH1-OD1 2.63Å; R161-D200 PolarHBondContact NH1-OD1 3.08Å; R161-D200 IonicContact NH1-OD2 3.95Å; R161-D200 PolarHBondContact NH1-OD2 2.79Å; R161-D200 PolarHBondContact O-N 3.18Å; R161-T302 VanDerWaalsContact CZ-CG2 3.49Å
162	Y	96.4	Very high	89.8	Confident	5 Å²	5	46.5 Å²	46.5	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-75.8	-43.7	176.3	-171	-83.9	0	0	0	112.2	Y146 E147 I150 K158 I159 F160 Q193 L199	Y146-Y162 AromaticContact CE1-CE2 3.87Å; Y146-Y162 HydrophobicContact CE1-CE2 3.87Å; E147-Y162 HydrophobicContact CG-CE1 3.7Å; E147-Y162 WeakPolarHBondContact CG-OH 3.34Å; E147-Y162 PolarHBondContact OE1-OH 3.05Å; I150-Y162 HydrophobicContact CD1-CD1 4.29Å; I150-Y162 HydrophobicContact CD1-CD2 3.46Å; I150-Y162 VanDerWaalsContact CD1-CD2 3.46Å; I150-Y162 HydrophobicContact CD1-CE1 4.34Å; I150-Y162 HydrophobicContact CD1-CE2 3.51Å; I150-Y162 HydrophobicContact CD1-CG 3.88Å; K158-Y162 VanDerWaalsContact O-CB 3.22Å; K158-Y162 WeakPolarHBondContact O-CB 3.09Å; K158-Y162 PolarHBondContact O-N 3.11Å; I159-Y162 PolarHBondContact O-N 2.95Å; F160-Y162 PolarHBondContact O-N 2.94Å; Y162-Q193 HydrophobicContact CE1-CB 4.2Å; Y162-Q193 PolarHBondContact O-NE2 3.35Å; Y162-L199 HydrophobicContact CD2-CB 3.84Å; Y162-L199 HydrophobicContact CD2-CD1 4.34Å; Y162-L199 HydrophobicContact CE2-CB 4.37Å
163	F	96.9	Very high	88.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-94.8	-20.3	-173.5	-71.4	-72.4	0	0	0	113.6	E147 I150 R151 I159 F160 M178 D182 R185 Q193	E147-F163 HydrophobicContact CB-CZ 4.32Å; I150-F163 HydrophobicContact CG2-CE2 4.2Å; R151-F163 HydrophobicContact CG-CE2 3.93Å; R151-F163 HydrophobicContact CG-CZ 3.99Å; I159-F163 HydrophobicContact CG2-CD2 3.86Å; I159-F163 HydrophobicContact CG2-CE2 4.19Å; I159-F163 WeakPolarHBondContact O-CD2 3.34Å; I159-F163 PolarHBondContact O-N 3.35Å; I159-F163 VanDerWaalsContact O-N 3.1Å; F160-F163 PolarHBondContact O-N 2.98Å; F163-M178 HydrophobicContact CB-CE 3.64Å; F163-D182 WeakPolarHBondContact O-CB 3.31Å; F163-R185 HydrophobicContact CD1-CG 4.25Å; F163-R185 HydrophobicContact CE1-CG 4.37Å; F163-Q193 PolarHBondContact O-NE2 2.95Å; F163-Q193 VanDerWaalsContact O-NE2 3.08Å
164	A	96.5	Very high	88.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.236	C	C	.	.			trans	-60.8	135.9	173.8	0	0	0	0	0	110.8	F160 V176 M178 F202	F160-A164 WeakPolarHBondContact O-CB 3.29Å; F160-A164 PolarHBondContact O-N 3.14Å; A164-V176 HydrophobicContact CB-CG1 3.45Å; A164-V176 VanDerWaalsContact CB-CG1 3.45Å; A164-M178 HydrophobicContact CB-CE 4.23Å; A164-M178 HydrophobicContact CB-CG 3.73Å; A164-F202 HydrophobicContact CB-CE1 4.04Å; A164-F202 WeakPolarHBondContact O-CD1 3.47Å; A164-F202 WeakPolarHBondContact O-CE1 3.5Å
165	T	95.4	Very high	88.5	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.037	24%	0.242	C	C	.	.			trans	-113.3	-12.5	-176.2	64.4	0	0	0	0	113.6	D182 L197 K203	T165-D182 WeakPolarHBondContact CB-OD2 3.5Å; T165-D182 VanDerWaalsContact CG2-CG 3.49Å; T165-D182 WeakPolarHBondContact CG2-OD1 3.11Å; T165-D182 WeakPolarHBondContact CG2-OD2 3.36Å; T165-D182 PolarHBondContact OG1-OD2 3.45Å; T165-L197 HydrophobicContact CG2-CB 4.4Å; T165-L197 HydrophobicContact CG2-CD1 3.92Å; T165-K203 WeakPolarHBondContact O-CB 3.25Å; T165-K203 WeakPolarHBondContact O-CG 3.24Å; T165-K203 PolarHBondContact O-N 3.36Å
166	L	94.6	Very high	88.6	Confident	3 Å²	3	46.2 Å²	46.2	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	142.4	-174.7	-58	-179.4	0	0	0	111	V176 Y177 T179 K203 V212 L221 L239	L166-V176 WeakPolarHBondContact O-CA 3.23Å; L166-Y177 PolarHBondContact N-O 3.44Å; L166-Y177 PolarHBondContact O-N 3.31Å; L166-T179 HydrophobicContact CD1-CG2 3.81Å; L166-T179 HydrophobicContact CG-CG2 4.32Å; L166-K203 WeakPolarHBondContact CA-O 3.43Å; L166-K203 HydrophobicContact CD2-CB 3.95Å; L166-K203 HydrophobicContact CD2-CD 4.19Å; L166-K203 HydrophobicContact CD2-CG 4.45Å; L166-V212 HydrophobicContact CD2-CG1 4.01Å; L166-V212 HydrophobicContact CD2-CG2 4.3Å; L166-L221 HydrophobicContact CD1-CD1 3.96Å; L166-L221 HydrophobicContact CD1-CD2 4.37Å; L166-L239 HydrophobicContact CD1-CD2 3.7Å
167	K	93.8	Very high	88.7	Confident	56 Å²	56	48 Å²	48	24%	0.243	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.2	172	-176.7	176.8	178	-172	0	109.6	E174 T175 V176 F202 K203 Y205	K167-E174 VanDerWaalsContact CE-CB 3.43Å; K167-E174 WeakPolarHBondContact CE-OE2 3.4Å; K167-E174 IonicContact NZ-OE1 3.27Å; K167-E174 PolarHBondContact NZ-OE1 2.89Å; K167-E174 IonicContact NZ-OE2 2.73Å; K167-E174 PolarHBondContact NZ-OE2 3.16Å; K167-T175 CarbonylContact C-O 3.57Å; K167-T175 WeakPolarHBondContact CA-O 3.35Å; K167-V176 HydrophobicContact CB-CG2 4.46Å; K167-V176 HydrophobicContact CD-CG2 4.36Å; K167-V176 HydrophobicContact CG-CG2 4.14Å; K167-F202 HydrophobicContact CB-CB 3.59Å; K167-F202 HydrophobicContact CB-CD2 3.94Å; K167-F202 HydrophobicContact CB-CG 3.83Å; K167-F202 HydrophobicContact CD-CD2 3.72Å; K167-F202 HydrophobicContact CD-CE2 4.25Å; K167-F202 HydrophobicContact CD-CG 4.46Å; K167-F202 HydrophobicContact CG-CD2 4.39Å; K167-K203 PolarHBondContact N-O 3.1Å; K167-Y205 PolarHBondContact O-N 3.19Å
168	S	91.8	Very high	88.8	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.014	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	142.6	-179.7	57.1	0	0	0	0	112.2	T175 Y205	S168-T175 PolarHBondContact N-O 2.62Å; S168-T175 PolarHBondContact OG-N 2.82Å; S168-T175 PolarHBondContact OG-O 3.19Å; S168-Y205 CarbonylContact C-O 3.43Å; S168-Y205 WeakPolarHBondContact CA-O 3.33Å
169	I	85.8	Confident	88.8	Confident	87 Å²	87	45.2 Å²	45.2	45%	0.446	23%	0.228	S	C	.	.			trans	-99.2	74.8	167.6	-41.7	171.3	0	0	0	107	R204 Y205 W213	I169-R204 HydrophobicContact CD1-CB 3.57Å; I169-R204 HydrophobicContact CD1-CG 4.5Å; I169-R204 HydrophobicContact CG1-CB 3.76Å; I169-Y205 PolarHBondContact N-O 2.9Å; I169-W213 HydrophobicContact CD1-CE3 3.71Å; I169-W213 HydrophobicContact CD1-CH2 4.48Å; I169-W213 HydrophobicContact CD1-CZ3 3.59Å
170	E	81	Confident	88.8	Confident	78 Å²	78	44.9 Å²	44.9	36%	0.364	23%	0.226	S	C	.	.			trans	-107.7	146.5	168.9	-70.8	-180	163	0	0	108.9	D172 P207	E170-D172 PolarHBondContact O-N 2.74Å; E170-P207 HydrophobicContact CG-CG 3.71Å; E170-P207 WeakPolarHBondContact OE1-CG 3.45Å
171	E	64.7	Low	88.7	Confident	187 Å²	187	47.9 Å²	47.9	87%	0.874	24%	0.24	S	C	*	.	S	Bend	trans	-63.8	-31.1	-177.2	-69.9	173.7	-175.6	0	0	112.1
172	D	65.6	Low	88.8	Confident	159 Å²	159	46.1 Å²	46.1	85%	0.85	23%	0.234	S	C	*	.	S	Bend	trans	-101.6	-27.6	-169.7	-63.9	-32.5	0	0	0	114.2	E170	E170-D172 PolarHBondContact O-N 2.74Å
173	S	71.2	Confident	88.7	Confident	60 Å²	60	45.9 Å²	45.9	42%	0.42	23%	0.233	S	C	.	.			trans	-156.6	120.3	177.6	64.6	0	0	0	0	113.3	T175	S173-T175 PolarHBondContact O-N 3.15Å
174	E	83	Confident	88.6	Confident	134 Å²	134	45.9 Å²	45.9	63%	0.626	23%	0.233	S	C	*	.			trans	-75.9	107	169.7	-63.7	-174.2	132.4	0	0	109.9	K167	K167-E174 VanDerWaalsContact CE-CB 3.43Å; K167-E174 WeakPolarHBondContact CE-OE2 3.4Å; K167-E174 IonicContact NZ-OE1 3.27Å; K167-E174 PolarHBondContact NZ-OE1 2.89Å; K167-E174 IonicContact NZ-OE2 2.73Å; K167-E174 PolarHBondContact NZ-OE2 3.16Å
175	T	88.7	Confident	88.5	Confident	41 Å²	41	46.8 Å²	46.8	25%	0.252	24%	0.236	S	C	.	.			trans	-103.8	132.2	177.6	-59.3	0	0	0	0	110.1	K167 S168 S173 Y177	K167-T175 CarbonylContact C-O 3.57Å; K167-T175 WeakPolarHBondContact CA-O 3.35Å; S168-T175 PolarHBondContact N-O 2.62Å; S168-T175 PolarHBondContact OG-N 2.82Å; S168-T175 PolarHBondContact OG-O 3.19Å; S173-T175 PolarHBondContact O-N 3.15Å; T175-Y177 HydrophobicContact CG2-CD1 4.39Å; T175-Y177 HydrophobicContact CG2-CD2 4.38Å; T175-Y177 HydrophobicContact CG2-CE1 3.8Å; T175-Y177 HydrophobicContact CG2-CE2 3.76Å; T175-Y177 VanDerWaalsContact CG2-CZ 3.44Å; T175-Y177 WeakPolarHBondContact O-CD2 3.48Å; T175-Y177 WeakPolarHBondContact O-CE2 3.16Å
176	V	92.6	Very high	88.5	Confident	28 Å²	28	46.7 Å²	46.7	17%	0.17	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	134.3	176.5	177	0	0	0	0	109.3	F160 A164 L166 K167 F202	F160-V176 HydrophobicContact CE1-CB 4.09Å; F160-V176 HydrophobicContact CE1-CG1 3.87Å; F160-V176 HydrophobicContact CZ-CG1 4.37Å; F160-V176 WeakPolarHBondContact CZ-O 3.27Å; A164-V176 HydrophobicContact CB-CG1 3.45Å; A164-V176 VanDerWaalsContact CB-CG1 3.45Å; L166-V176 WeakPolarHBondContact O-CA 3.23Å; K167-V176 HydrophobicContact CB-CG2 4.46Å; K167-V176 HydrophobicContact CD-CG2 4.36Å; K167-V176 HydrophobicContact CG-CG2 4.14Å; V176-F202 HydrophobicContact CG1-CD1 4.09Å; V176-F202 HydrophobicContact CG1-CE1 3.54Å; V176-F202 HydrophobicContact CG1-CZ 3.81Å; V176-F202 HydrophobicContact CG2-CE1 4.41Å; V176-F202 HydrophobicContact CG2-CE2 4.03Å; V176-F202 HydrophobicContact CG2-CZ 3.94Å
177	Y	93.7	Very high	88.4	Confident	38 Å²	38	47 Å²	47	15%	0.149	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.7	-178.1	-60.8	-81.4	0	0	0	111.9	L166 T175 L239 T241	L166-Y177 PolarHBondContact N-O 3.44Å; L166-Y177 PolarHBondContact O-N 3.31Å; T175-Y177 HydrophobicContact CG2-CD1 4.39Å; T175-Y177 HydrophobicContact CG2-CD2 4.38Å; T175-Y177 HydrophobicContact CG2-CE1 3.8Å; T175-Y177 HydrophobicContact CG2-CE2 3.76Å; T175-Y177 VanDerWaalsContact CG2-CZ 3.44Å; T175-Y177 WeakPolarHBondContact O-CD2 3.48Å; T175-Y177 WeakPolarHBondContact O-CE2 3.16Å; Y177-L239 HydrophobicContact CD1-CB 3.75Å; Y177-L239 HydrophobicContact CE1-CB 4.37Å; Y177-L239 HydrophobicContact CG-CB 4.13Å; Y177-L239 HydrophobicContact CG-CD1 4.4Å; Y177-T241 HydrophobicContact CD1-CG2 3.93Å; Y177-T241 HydrophobicContact CE1-CG2 3.63Å
178	M	94.5	Very high	88.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-99.1	142	164.6	-82	-176	172	0	0	110.4	F160 F163 A164 D182 I240 F245	F160-M178 HydrophobicContact CB-CE 4.36Å; F160-M178 HydrophobicContact CD2-CE 3.68Å; F160-M178 HydrophobicContact CD2-CG 4.04Å; F160-M178 HydrophobicContact CD2-SD 3.68Å; F160-M178 HydrophobicContact CE2-CB 4.3Å; F160-M178 HydrophobicContact CE2-CE 4.31Å; F160-M178 HydrophobicContact CE2-CG 3.73Å; F160-M178 HydrophobicContact CE2-SD 3.9Å; F160-M178 HydrophobicContact CG-CE 4.24Å; F160-M178 WeakPolarHBondContact O-CE 3.28Å; F163-M178 HydrophobicContact CB-CE 3.64Å; A164-M178 HydrophobicContact CB-CE 4.23Å; A164-M178 HydrophobicContact CB-CG 3.73Å; M178-D182 HydrophobicContact CB-CB 4.13Å; M178-D182 HydrophobicContact CG-CB 4.1Å; M178-I240 HydrophobicContact CB-CB 3.98Å; M178-I240 HydrophobicContact CB-CG2 4.44Å; M178-I240 PolarHBondContact N-O 2.87Å; M178-I240 PolarHBondContact O-N 3.12Å; M178-F245 HydrophobicContact CE-CD2 4.43Å; M178-F245 HydrophobicContact CE-CE2 4.31Å; M178-F245 HydrophobicContact SD-CD2 3.72Å; M178-F245 HydrophobicContact SD-CE2 4.05Å; M178-F245 HydrophobicContact SD-CG 4.44Å
179	T	94.5	Very high	88.3	Confident	16 Å²	16	46.5 Å²	46.5	10%	0.098	24%	0.239	C	C	.	.			trans	-79.3	161.7	159.4	66.4	0	0	0	0	110.1	L166 E181 D182 F183 L223	L166-T179 HydrophobicContact CD1-CG2 3.81Å; L166-T179 HydrophobicContact CG-CG2 4.32Å; T179-E181 PolarHBondContact O-N 3.18Å; T179-D182 PolarHBondContact N-OD2 3.4Å; T179-D182 WeakPolarHBondContact O-CA 3.37Å; T179-D182 WeakPolarHBondContact O-CB 3.29Å; T179-D182 PolarHBondContact O-N 3.42Å; T179-D182 PolarHBondContact OG1-N 3.23Å; T179-D182 VanDerWaalsContact OG1-N 3.14Å; T179-D182 PolarHBondContact OG1-OD1 3.23Å; T179-D182 PolarHBondContact OG1-OD2 2.7Å; T179-F183 PolarHBondContact O-N 2.99Å; T179-L223 HydrophobicContact CG2-CD2 3.52Å
180	P	94.3	Very high	88.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-30.1	174.7	-30.6	41.8	0	0	0	113.6	F183 L184 I225 F231 A238 I240 L347	P180-F183 WeakPolarHBondContact O-CB 3.3Å; P180-F183 PolarHBondContact O-N 3.37Å; P180-L184 PolarHBondContact O-N 3.1Å; P180-I225 HydrophobicContact CB-CD1 3.49Å; P180-I225 VanDerWaalsContact CB-CD1 3.49Å; P180-I225 HydrophobicContact CG-CD1 3.35Å; P180-F231 HydrophobicContact CB-CD1 4.18Å; P180-F231 HydrophobicContact CB-CD2 3.61Å; P180-F231 HydrophobicContact CB-CE1 4.21Å; P180-F231 HydrophobicContact CB-CE2 3.69Å; P180-F231 HydrophobicContact CB-CG 3.89Å; P180-F231 HydrophobicContact CB-CZ 3.98Å; P180-F231 HydrophobicContact CG-CB 3.82Å; P180-F231 HydrophobicContact CG-CD1 3.97Å; P180-F231 HydrophobicContact CG-CD2 3.74Å; P180-F231 HydrophobicContact CG-CE1 4.48Å; P180-F231 HydrophobicContact CG-CE2 4.3Å; P180-F231 HydrophobicContact CG-CG 3.56Å; P180-A238 WeakPolarHBondContact CD-O 3.39Å; P180-A238 HydrophobicContact CG-CB 4.38Å; P180-I240 HydrophobicContact CG-CD1 4.31Å; P180-L347 HydrophobicContact CB-CD1 4.12Å
181	E	93.3	Very high	88.8	Confident	65 Å²	65	42.5 Å²	42.5	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-68.2	-39.2	172.9	174.4	50.1	-149.1	0	0	111.6	T179 L184 R185 R351	T179-E181 PolarHBondContact O-N 3.18Å; E181-L184 PolarHBondContact O-N 2.91Å; E181-R185 WeakPolarHBondContact O-CB 3.3Å; E181-R185 PolarHBondContact O-N 2.69Å; E181-R185 IonicContact OE1-NH2 2.78Å; E181-R185 PolarHBondContact OE1-NH2 3.37Å; E181-R351 PolarHBondContact O-NH2 3.36Å; E181-R351 IonicContact OE1-CZ 3.86Å; E181-R351 IonicContact OE1-NE 3.26Å; E181-R351 PolarHBondContact OE1-NE 2.96Å; E181-R351 IonicContact OE1-NH2 3.4Å; E181-R351 PolarHBondContact OE1-NH2 3.07Å; E181-R351 IonicContact OE2-CZ 3.14Å; E181-R351 IonicContact OE2-NE 4Å; E181-R351 PolarHBondContact OE2-NE 3.1Å; E181-R351 VanDerWaalsContact OE2-NE 3.13Å; E181-R351 IonicContact OE2-NH2 2.71Å; E181-R351 PolarHBondContact OE2-NH2 3.42Å
182	D	95.4	Very high	90.1	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-42.5	171.6	-59.2	-30.8	0	0	0	111.8	F163 T165 M178 T179 L184 R185 S186	F163-D182 WeakPolarHBondContact O-CB 3.31Å; T165-D182 WeakPolarHBondContact CB-OD2 3.5Å; T165-D182 VanDerWaalsContact CG2-CG 3.49Å; T165-D182 WeakPolarHBondContact CG2-OD1 3.11Å; T165-D182 WeakPolarHBondContact CG2-OD2 3.36Å; T165-D182 PolarHBondContact OG1-OD2 3.45Å; M178-D182 HydrophobicContact CB-CB 4.13Å; M178-D182 HydrophobicContact CG-CB 4.1Å; T179-D182 PolarHBondContact N-OD2 3.4Å; T179-D182 WeakPolarHBondContact O-CA 3.37Å; T179-D182 WeakPolarHBondContact O-CB 3.29Å; T179-D182 PolarHBondContact O-N 3.42Å; T179-D182 PolarHBondContact OG1-N 3.23Å; T179-D182 VanDerWaalsContact OG1-N 3.14Å; T179-D182 PolarHBondContact OG1-OD1 3.23Å; T179-D182 PolarHBondContact OG1-OD2 2.7Å; D182-L184 PolarHBondContact O-N 2.88Å; D182-R185 CarbonylContact O-C 3.49Å; D182-R185 WeakPolarHBondContact O-CB 3.05Å; D182-R185 PolarHBondContact O-N 2.86Å; D182-R185 VanDerWaalsContact O-N 3.17Å; D182-R185 IonicContact OD1-CZ 3.8Å; D182-R185 IonicContact OD1-NH1 3.94Å; D182-R185 PolarHBondContact OD1-NH1 2.89Å; D182-R185 IonicContact OD1-NH2 3.85Å; D182-S186 WeakPolarHBondContact O-CB 3.43Å; D182-S186 PolarHBondContact O-N 3.39Å
183	F	95.3	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.3	-50.8	175.2	178	-92.7	0	0	0	110.7	T179 P180 R185 S186 I187 F231 I240 F245 L248 L249 L252 I344	T179-F183 PolarHBondContact O-N 2.99Å; P180-F183 WeakPolarHBondContact O-CB 3.3Å; P180-F183 PolarHBondContact O-N 3.37Å; F183-R185 VanDerWaalsContact C-N 3.3Å; F183-R185 PolarHBondContact O-N 3Å; F183-S186 WeakPolarHBondContact O-CB 3.21Å; F183-S186 PolarHBondContact O-N 3.15Å; F183-S186 VanDerWaalsContact O-N 3.13Å; F183-S186 PolarHBondContact O-OG 2.93Å; F183-I187 HydrophobicContact CE1-CD1 4.23Å; F183-I187 PolarHBondContact O-N 3.43Å; F183-F231 HydrophobicContact CD1-CE1 4.47Å; F183-F231 HydrophobicContact CD1-CZ 4.45Å; F183-I240 HydrophobicContact CB-CD1 3.59Å; F183-I240 HydrophobicContact CD2-CD1 4.2Å; F183-I240 HydrophobicContact CG-CD1 3.99Å; F183-F245 AromaticContact CD2-CD2 3.68Å; F183-F245 HydrophobicContact CD2-CD2 3.68Å; F183-F245 HydrophobicContact CD2-CE2 4.17Å; F183-F245 AromaticContact CE2-CD2 3.74Å; F183-F245 HydrophobicContact CE2-CD2 3.74Å; F183-F245 HydrophobicContact CE2-CE2 4.16Å; F183-L248 HydrophobicContact CD2-CD1 4.38Å; F183-L248 HydrophobicContact CE2-CB 3.71Å; F183-L248 HydrophobicContact CE2-CD1 4.16Å; F183-L248 HydrophobicContact CZ-CB 3.64Å; F183-L248 HydrophobicContact CZ-CD1 4.47Å; F183-L249 HydrophobicContact CE2-CD2 4.24Å; F183-L249 HydrophobicContact CE2-CG 4.19Å; F183-L249 HydrophobicContact CZ-CD2 4.09Å; F183-L249 HydrophobicContact CZ-CG 4.39Å; F183-L252 HydrophobicContact CE1-CD1 3.61Å; F183-L252 HydrophobicContact CZ-CD1 3.73Å; F183-I344 HydrophobicContact CD1-CD1 3.8Å; F183-I344 HydrophobicContact CE1-CD1 3.67Å
184	L	94.2	Very high	92.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-37.7	177.9	178.5	67.8	0	0	0	110.9	P180 E181 D182 S186 I187 T188 I344 L347 E348 R351	P180-L184 PolarHBondContact O-N 3.1Å; E181-L184 PolarHBondContact O-N 2.91Å; D182-L184 PolarHBondContact O-N 2.88Å; L184-S186 VanDerWaalsContact C-N 3.31Å; L184-S186 PolarHBondContact O-N 3.46Å; L184-I187 HydrophobicContact CD1-CD1 4.1Å; L184-I187 HydrophobicContact CD1-CG1 4.19Å; L184-I187 VanDerWaalsContact O-CG1 3.23Å; L184-I187 WeakPolarHBondContact O-CG1 3.49Å; L184-I187 PolarHBondContact O-N 3.35Å; L184-T188 WeakPolarHBondContact O-CB 3.5Å; L184-T188 PolarHBondContact O-N 3.29Å; L184-T188 PolarHBondContact O-OG1 3.32Å; L184-I344 HydrophobicContact CD1-CG2 3.88Å; L184-L347 HydrophobicContact CD2-CB 3.57Å; L184-E348 HydrophobicContact CD1-CG 3.7Å; L184-E348 HydrophobicContact CD2-CG 3.99Å; L184-E348 HydrophobicContact CG-CG 4.45Å; L184-R351 VanDerWaalsContact CD2-NH2 3.28Å; L184-R351 VanDerWaalsContact CG-CZ 3.42Å; L184-R351 VanDerWaalsContact CG-NH1 3.27Å
185	R	94.8	Very high	92.8	Very high	18 Å²	18	26.4 Å²	26.4	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-32.9	175.3	-167.2	-174.5	-52.4	113.2	14.7	112.8	R151 F163 E181 D182 F183 I187 I191	R151-R185 VanDerWaalsContact CZ-O 3.31Å; R151-R185 PolarHBondContact NE-O 2.89Å; R151-R185 PolarHBondContact NH2-O 2.84Å; F163-R185 HydrophobicContact CD1-CG 4.25Å; F163-R185 HydrophobicContact CE1-CG 4.37Å; E181-R185 WeakPolarHBondContact O-CB 3.3Å; E181-R185 PolarHBondContact O-N 2.69Å; E181-R185 IonicContact OE1-NH2 2.78Å; E181-R185 PolarHBondContact OE1-NH2 3.37Å; D182-R185 CarbonylContact O-C 3.49Å; D182-R185 WeakPolarHBondContact O-CB 3.05Å; D182-R185 PolarHBondContact O-N 2.86Å; D182-R185 VanDerWaalsContact O-N 3.17Å; D182-R185 IonicContact OD1-CZ 3.8Å; D182-R185 IonicContact OD1-NH1 3.94Å; D182-R185 PolarHBondContact OD1-NH1 2.89Å; D182-R185 IonicContact OD1-NH2 3.85Å; F183-R185 VanDerWaalsContact C-N 3.3Å; F183-R185 PolarHBondContact O-N 3Å; R185-I187 PolarHBondContact O-N 3.17Å; R185-I191 HydrophobicContact CG-CB 4.33Å; R185-I191 HydrophobicContact CG-CG2 3.83Å
186	S	94.7	Very high	92.9	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-29.6	178.2	81.7	0	0	0	0	112.3	R151 D182 F183 L184	R151-S186 VanDerWaalsContact CD-O 3.26Å; R151-S186 WeakPolarHBondContact CD-O 3.27Å; R151-S186 VanDerWaalsContact CG-O 3.24Å; R151-S186 WeakPolarHBondContact CG-O 3.45Å; R151-S186 PolarHBondContact NE-O 2.86Å; D182-S186 WeakPolarHBondContact O-CB 3.43Å; D182-S186 PolarHBondContact O-N 3.39Å; F183-S186 WeakPolarHBondContact O-CB 3.21Å; F183-S186 PolarHBondContact O-N 3.15Å; F183-S186 VanDerWaalsContact O-N 3.13Å; F183-S186 PolarHBondContact O-OG 2.93Å; L184-S186 VanDerWaalsContact C-N 3.31Å; L184-S186 PolarHBondContact O-N 3.46Å
187	I	92.5	Very high	92.9	Very high	11 Å²	11	25.1 Å²	25.1	6%	0.056	15%	0.148	C	C	.	.	H	α-helix	trans	-97.5	-27.9	179	63.5	177.5	0	0	0	113.4	F183 L184 R185 P189 L249 L252 I344 Y371 L486	F183-I187 HydrophobicContact CE1-CD1 4.23Å; F183-I187 PolarHBondContact O-N 3.43Å; L184-I187 HydrophobicContact CD1-CD1 4.1Å; L184-I187 HydrophobicContact CD1-CG1 4.19Å; L184-I187 VanDerWaalsContact O-CG1 3.23Å; L184-I187 WeakPolarHBondContact O-CG1 3.49Å; L184-I187 PolarHBondContact O-N 3.35Å; R185-I187 PolarHBondContact O-N 3.17Å; I187-P189 VanDerWaalsContact O-CD 3.24Å; I187-P189 WeakPolarHBondContact O-CD 3.44Å; I187-L249 HydrophobicContact CG2-CD2 3.4Å; I187-L252 HydrophobicContact CD1-CD1 4.44Å; I187-I344 HydrophobicContact CD1-CG2 4.46Å; I187-Y371 WeakPolarHBondContact O-CE1 3.35Å; I187-L486 HydrophobicContact CG2-CD2 4.48Å
188	T	92.9	Very high	92.7	Very high	11 Å²	11	25.8 Å²	25.8	7%	0.067	16%	0.155	C	C	.	.	S	Bend	trans	-84.1	112.4	-175.5	-53.9	0	0	0	0	112.5	R151 L184 I191 R351 V370 Y371	R151-T188 PolarHBondContact NE-O 2.64Å; R151-T188 VanDerWaalsContact NE-O 3.14Å; R151-T188 PolarHBondContact NH1-O 3.11Å; R151-T188 PolarHBondContact NH2-O 3.22Å; R151-T188 VanDerWaalsContact NH2-O 3.17Å; L184-T188 WeakPolarHBondContact O-CB 3.5Å; L184-T188 PolarHBondContact O-N 3.29Å; L184-T188 PolarHBondContact O-OG1 3.32Å; T188-I191 HydrophobicContact CG2-CD1 3.41Å; T188-I191 VanDerWaalsContact CG2-CD1 3.41Å; T188-I191 HydrophobicContact CG2-CG1 4.02Å; T188-R351 PolarHBondContact OG1-NH1 3.43Å; T188-V370 HydrophobicContact CG2-CG1 3.79Å; T188-Y371 PolarHBondContact OG1-OH 3.23Å
189	P	91.5	Very high	92.6	Very high	36 Å²	36	28.7 Å²	28.7	23%	0.234	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	154.9	176.6	29.9	-35.8	0	0	0	112.5	N148 I187 I191 V370 Y371	N148-P189 VanDerWaalsContact OD1-CA 3.3Å; N148-P189 WeakPolarHBondContact OD1-CA 3.45Å; N148-P189 WeakPolarHBondContact OD1-CB 3.33Å; I187-P189 VanDerWaalsContact O-CD 3.24Å; I187-P189 WeakPolarHBondContact O-CD 3.44Å; P189-I191 VanDerWaalsContact C-N 3.29Å; P189-I191 PolarHBondContact O-N 2.85Å; P189-V370 HydrophobicContact CG-CG1 3.61Å; P189-V370 VanDerWaalsContact CG-O 3.23Å; P189-V370 WeakPolarHBondContact CG-O 3.28Å; P189-Y371 VanDerWaalsContact CD-CE1 3.41Å; P189-Y371 HydrophobicContact CG-CD1 4.16Å; P189-Y371 HydrophobicContact CG-CE1 4.31Å
190	G	88.3	Confident	92.5	Very high	32 Å²	32	31.9 Å²	31.9	33%	0.33	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-8	176.4	0	0	0	0	0	115.2	N148	N148-G190 PolarHBondContact OD1-N 3.07Å
191	I	89.5	Confident	92.4	Very high	48 Å²	48	34.3 Å²	34.3	25%	0.246	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-97.6	131.6	177.1	-56.7	-179.8	0	0	0	108.7	R151 R185 T188 P189	R151-I191 PolarHBondContact NH1-O 2.81Å; R151-I191 PolarHBondContact NH2-O 3.44Å; R185-I191 HydrophobicContact CG-CB 4.33Å; R185-I191 HydrophobicContact CG-CG2 3.83Å; T188-I191 HydrophobicContact CG2-CD1 3.41Å; T188-I191 VanDerWaalsContact CG2-CD1 3.41Å; T188-I191 HydrophobicContact CG2-CG1 4.02Å; P189-I191 VanDerWaalsContact C-N 3.29Å; P189-I191 PolarHBondContact O-N 2.85Å
192	K	91.9	Very high	92.4	Very high	42 Å²	42	33 Å²	33	18%	0.183	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-84.2	141.1	177.8	-165.2	-169.2	161.6	-168.8	0	110.5	D140 F143 I144 E147 D195	D140-K192 IonicContact OD1-NZ 3.32Å; D140-K192 PolarHBondContact OD1-NZ 2.88Å; F143-K192 HydrophobicContact CB-CD 4.5Å; F143-K192 HydrophobicContact CB-CG 4.43Å; I144-K192 HydrophobicContact CG1-CB 4.06Å; E147-K192 WeakPolarHBondContact OE2-CA 3.39Å; K192-D195 WeakPolarHBondContact CE-OD1 3.35Å; K192-D195 IonicContact NZ-OD1 3.36Å; K192-D195 PolarHBondContact NZ-OD1 3.42Å; K192-D195 IonicContact NZ-OD2 2.84Å; K192-D195 PolarHBondContact NZ-OD2 3.26Å
193	Q	93	Very high	92.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-63	144.7	165.6	-175.5	69.1	-26.4	0	0	110.5	E147 Y162 F163 L197	E147-Q193 WeakPolarHBondContact OE1-CB 3.39Å; E147-Q193 PolarHBondContact OE1-N 2.59Å; E147-Q193 PolarHBondContact OE2-N 3.48Å; Y162-Q193 HydrophobicContact CE1-CB 4.2Å; Y162-Q193 PolarHBondContact O-NE2 3.35Å; F163-Q193 PolarHBondContact O-NE2 2.95Å; F163-Q193 VanDerWaalsContact O-NE2 3.08Å; Q193-L197 HydrophobicContact CG-CB 4.37Å; Q193-L197 WeakPolarHBondContact CG-O 3.48Å; Q193-L197 PolarHBondContact NE2-O 3.09Å
194	P	92.6	Very high	92.3	Very high	56 Å²	56	44 Å²	44	36%	0.364	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-59	142.8	176.2	-21.8	32.8	0	0	0	111.5	G196 L197	P194-G196 PolarHBondContact O-N 3.21Å; P194-L197 HydrophobicContact CB-CD1 4.16Å; P194-L197 HydrophobicContact CG-CD1 4.45Å; P194-L197 PolarHBondContact O-N 3.5Å
195	D	90.6	Very high	92.2	Very high	104 Å²	104	44.1 Å²	44.1	56%	0.556	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	134.1	-177.6	-69.1	-55	0	0	0	111.3	K192	K192-D195 WeakPolarHBondContact CE-OD1 3.35Å; K192-D195 IonicContact NZ-OD1 3.36Å; K192-D195 PolarHBondContact NZ-OD1 3.42Å; K192-D195 IonicContact NZ-OD2 2.84Å; K192-D195 PolarHBondContact NZ-OD2 3.26Å
196	G	89.9	Confident	92	Very high	38 Å²	38	44.6 Å²	44.6	39%	0.392	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-0.7	-178.6	0	0	0	0	0	115.1	P194 S201	P194-G196 PolarHBondContact O-N 3.21Å; G196-S201 WeakPolarHBondContact O-CB 3.3Å
197	L	92.7	Very high	91.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	25%	0.252	C	S	.	.			trans	-119	40.5	178.4	-62.5	173	0	0	0	111.9	T165 Q193 P194 K203 F214	T165-L197 HydrophobicContact CG2-CB 4.4Å; T165-L197 HydrophobicContact CG2-CD1 3.92Å; Q193-L197 HydrophobicContact CG-CB 4.37Å; Q193-L197 WeakPolarHBondContact CG-O 3.48Å; Q193-L197 PolarHBondContact NE2-O 3.09Å; P194-L197 HydrophobicContact CB-CD1 4.16Å; P194-L197 HydrophobicContact CG-CD1 4.45Å; P194-L197 PolarHBondContact O-N 3.5Å; L197-K203 VanDerWaalsContact CD1-CE 3.49Å; L197-K203 HydrophobicContact CD1-CG 4.4Å; L197-K203 HydrophobicContact CD2-CG 3.78Å; L197-F214 HydrophobicContact CD1-CZ 4.38Å; L197-F214 HydrophobicContact CD2-CD2 4.12Å; L197-F214 HydrophobicContact CD2-CE2 3.45Å; L197-F214 VanDerWaalsContact CD2-CE2 3.45Å; L197-F214 HydrophobicContact CD2-CZ 3.83Å; L197-F214 HydrophobicContact CG-CE2 4.04Å; L197-F214 HydrophobicContact CG-CZ 3.88Å
198	D	89.7	Confident	91.4	Very high	53 Å²	53	53.9 Å²	53.9	28%	0.283	29%	0.287	S	S	.	.			trans	-75.6	-161.7	176.1	-61.1	-33.7	0	0	0	111	D200 S201	D198-D200 PolarHBondContact O-N 3.1Å; D198-S201 WeakPolarHBondContact O-CB 3.43Å; D198-S201 PolarHBondContact O-N 2.85Å; D198-S201 VanDerWaalsContact O-N 3.1Å
199	L	93	Very high	91.2	Very high	61 Å²	61	56.9 Å²	56.9	32%	0.319	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	127.4	-179.6	-171.1	61.8	0	0	0	112.9	R161 Y162 S201	R161-L199 HydrophobicContact CB-CD1 4.05Å; Y162-L199 HydrophobicContact CD2-CB 3.84Å; Y162-L199 HydrophobicContact CD2-CD1 4.34Å; Y162-L199 HydrophobicContact CE2-CB 4.37Å; L199-S201 PolarHBondContact O-N 3Å; L199-S201 VanDerWaalsContact O-N 3.11Å; L199-S201 PolarHBondContact O-OG 3.37Å
200	D	91.6	Very high	91	Very high	82 Å²	82	55.9 Å²	55.9	44%	0.439	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	21.2	177.1	-57.2	-40.1	0	0	0	114	R161 D198 F202	R161-D200 WeakPolarHBondContact CD-OD1 3.46Å; R161-D200 IonicContact CZ-OD1 3Å; R161-D200 IonicContact NH1-OD1 2.63Å; R161-D200 PolarHBondContact NH1-OD1 3.08Å; R161-D200 IonicContact NH1-OD2 3.95Å; R161-D200 PolarHBondContact NH1-OD2 2.79Å; R161-D200 PolarHBondContact O-N 3.18Å; D198-D200 PolarHBondContact O-N 3.1Å; D200-F202 HydrophobicContact CB-CE2 4.32Å
201	S	92.9	Very high	91.2	Very high	51 Å²	51	57 Å²	57	36%	0.357	30%	0.299	S	S	.	.			trans	-112.4	108.9	176.9	-59.7	0	0	0	0	110.5	G196 D198 L199	G196-S201 WeakPolarHBondContact O-CB 3.3Å; D198-S201 WeakPolarHBondContact O-CB 3.43Å; D198-S201 PolarHBondContact O-N 2.85Å; D198-S201 VanDerWaalsContact O-N 3.1Å; L199-S201 PolarHBondContact O-N 3Å; L199-S201 VanDerWaalsContact O-N 3.11Å; L199-S201 PolarHBondContact O-OG 3.37Å
202	F	94.1	Very high	91.3	Very high	39 Å²	39	55.4 Å²	55.4	17%	0.171	29%	0.292	C	S	.	.			trans	-123.6	151.8	-170.5	-48.7	-72.3	0	0	0	112.3	A164 K167 V176 D200	A164-F202 HydrophobicContact CB-CE1 4.04Å; A164-F202 WeakPolarHBondContact O-CD1 3.47Å; A164-F202 WeakPolarHBondContact O-CE1 3.5Å; K167-F202 HydrophobicContact CB-CB 3.59Å; K167-F202 HydrophobicContact CB-CD2 3.94Å; K167-F202 HydrophobicContact CB-CG 3.83Å; K167-F202 HydrophobicContact CD-CD2 3.72Å; K167-F202 HydrophobicContact CD-CE2 4.25Å; K167-F202 HydrophobicContact CD-CG 4.46Å; K167-F202 HydrophobicContact CG-CD2 4.39Å; V176-F202 HydrophobicContact CG1-CD1 4.09Å; V176-F202 HydrophobicContact CG1-CE1 3.54Å; V176-F202 HydrophobicContact CG1-CZ 3.81Å; V176-F202 HydrophobicContact CG2-CE1 4.41Å; V176-F202 HydrophobicContact CG2-CE2 4.03Å; V176-F202 HydrophobicContact CG2-CZ 3.94Å; D200-F202 HydrophobicContact CB-CE2 4.32Å
203	K	94	Very high	91.3	Very high	63 Å²	63	57.6 Å²	57.6	27%	0.274	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	137.8	158.4	-45.6	-178.3	-178.8	173.7	0	108.1	T165 L166 K167 L197 V212 F214	T165-K203 WeakPolarHBondContact O-CB 3.25Å; T165-K203 WeakPolarHBondContact O-CG 3.24Å; T165-K203 PolarHBondContact O-N 3.36Å; L166-K203 WeakPolarHBondContact CA-O 3.43Å; L166-K203 HydrophobicContact CD2-CB 3.95Å; L166-K203 HydrophobicContact CD2-CD 4.19Å; L166-K203 HydrophobicContact CD2-CG 4.45Å; K167-K203 PolarHBondContact N-O 3.1Å; L197-K203 VanDerWaalsContact CD1-CE 3.49Å; L197-K203 HydrophobicContact CD1-CG 4.4Å; L197-K203 HydrophobicContact CD2-CG 3.78Å; K203-V212 HydrophobicContact CB-CG1 3.51Å; K203-V212 HydrophobicContact CD-CG1 3.81Å; K203-V212 HydrophobicContact CG-CG1 4.29Å; K203-F214 HydrophobicContact CB-CB 4.24Å; K203-F214 HydrophobicContact CB-CD2 4.35Å; K203-F214 HydrophobicContact CD-CB 4.16Å; K203-F214 HydrophobicContact CD-CG 4.26Å; K203-F214 HydrophobicContact CG-CB 3.92Å; K203-F214 HydrophobicContact CG-CD2 3.7Å; K203-F214 HydrophobicContact CG-CE2 4.36Å; K203-F214 HydrophobicContact CG-CG 3.85Å
204	R	92.9	Very high	91.1	Very high	170 Å²	170	60.3 Å²	60.3	64%	0.642	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.4	178.2	-53.2	-175.7	172.9	-173	-4.3	108.7	I169 V212 W213	I169-R204 HydrophobicContact CD1-CB 3.57Å; I169-R204 HydrophobicContact CD1-CG 4.5Å; I169-R204 HydrophobicContact CG1-CB 3.76Å; R204-V212 CarbonylContact O-C 3.46Å; R204-V212 VanDerWaalsContact O-CA 3.26Å; R204-V212 WeakPolarHBondContact O-CA 3.45Å; R204-W213 HydrophobicContact CB-CB 4.42Å; R204-W213 HydrophobicContact CB-CE3 4.32Å; R204-W213 PolarHBondContact N-O 2.81Å; R204-W213 PolarHBondContact O-N 3Å
205	Y	93	Very high	90.8	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.8	-176.6	166.3	-113.6	0	0	0	109.9	K167 S168 I169 P207 L211 V212 L221 Q237 L239	K167-Y205 PolarHBondContact O-N 3.19Å; S168-Y205 CarbonylContact C-O 3.43Å; S168-Y205 WeakPolarHBondContact CA-O 3.33Å; I169-Y205 PolarHBondContact N-O 2.9Å; Y205-P207 HydrophobicContact CE1-CB 3.83Å; Y205-L211 WeakPolarHBondContact CA-O 3.32Å; Y205-V212 HydrophobicContact CD2-CG2 3.8Å; Y205-L221 HydrophobicContact CD2-CD2 4.42Å; Y205-L221 HydrophobicContact CE2-CB 4.36Å; Y205-L221 HydrophobicContact CE2-CD2 3.89Å; Y205-Q237 PolarHBondContact OH-OE1 3.04Å; Y205-L239 HydrophobicContact CD1-CD1 4.27Å; Y205-L239 HydrophobicContact CE1-CD1 3.52Å
206	D	90.7	Very high	90.4	Very high	27 Å²	27	67.8 Å²	67.8	14%	0.144	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.3	173.1	171.9	11	0	0	0	109	K208 T209 G210 L211 W213	D206-K208 PolarHBondContact O-N 3.47Å; D206-K208 VanDerWaalsContact OD1-CB 3.31Å; D206-K208 WeakPolarHBondContact OD1-CB 3.5Å; D206-K208 PolarHBondContact OD1-N 3.42Å; D206-T209 WeakPolarHBondContact CB-OG1 3.19Å; D206-T209 PolarHBondContact O-N 3Å; D206-T209 WeakPolarHBondContact OD2-CB 3.27Å; D206-T209 WeakPolarHBondContact OD2-CG2 3.26Å; D206-T209 PolarHBondContact OD2-OG1 3.24Å; D206-G210 VanDerWaalsContact O-CA 3.31Å; D206-G210 WeakPolarHBondContact O-CA 3.46Å; D206-G210 PolarHBondContact O-N 3.47Å; D206-L211 PolarHBondContact N-O 3.13Å; D206-W213 HydrophobicContact CB-CH2 3.37Å; D206-W213 HydrophobicContact CB-CZ3 3.33Å
207	P	86.7	Confident	90.4	Very high	32 Å²	32	72.7 Å²	72.7	21%	0.208	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.2	-179.4	23.2	-28.4	0	0	0	113.3	E170 Y205	E170-P207 HydrophobicContact CG-CG 3.71Å; E170-P207 WeakPolarHBondContact OE1-CG 3.45Å; Y205-P207 HydrophobicContact CE1-CB 3.83Å
208	K	87	Confident	90.2	Very high	179 Å²	179	76 Å²	76	78%	0.778	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-41.9	179.4	-61.2	177.9	-179.7	173.4	0	111.6	D206	D206-K208 PolarHBondContact O-N 3.47Å; D206-K208 VanDerWaalsContact OD1-CB 3.31Å; D206-K208 WeakPolarHBondContact OD1-CB 3.5Å; D206-K208 PolarHBondContact OD1-N 3.42Å
209	T	88.8	Confident	90.3	Very high	74 Å²	74	79.9 Å²	79.9	45%	0.454	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-20	-178.2	58.6	0	0	0	0	113.4	D206 L211	D206-T209 WeakPolarHBondContact CB-OG1 3.19Å; D206-T209 PolarHBondContact O-N 3Å; D206-T209 WeakPolarHBondContact OD2-CB 3.27Å; D206-T209 WeakPolarHBondContact OD2-CG2 3.26Å; D206-T209 PolarHBondContact OD2-OG1 3.24Å; T209-L211 PolarHBondContact O-N 3.45Å; T209-L211 WeakPolarHBondContact OG1-CB 3.36Å; T209-L211 PolarHBondContact OG1-N 2.87Å
210	G	88.4	Confident	90.1	Very high	14 Å²	14	84.8 Å²	84.8	14%	0.144	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	15.2	-171.1	0	0	0	0	0	113.3	D206 L221	D206-G210 VanDerWaalsContact O-CA 3.31Å; D206-G210 WeakPolarHBondContact O-CA 3.46Å; D206-G210 PolarHBondContact O-N 3.47Å; G210-L221 PolarHBondContact O-N 3.23Å
211	L	91.3	Very high	90	Very high	56 Å²	56	83 Å²	83	29%	0.293	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	144	179.2	-68.7	172.9	0	0	0	111.2	Y205 D206 T209 W213	Y205-L211 WeakPolarHBondContact CA-O 3.32Å; D206-L211 PolarHBondContact N-O 3.13Å; T209-L211 PolarHBondContact O-N 3.45Å; T209-L211 WeakPolarHBondContact OG1-CB 3.36Å; T209-L211 PolarHBondContact OG1-N 2.87Å; L211-W213 HydrophobicContact CB-CH2 3.69Å; L211-W213 HydrophobicContact CB-CZ2 3.76Å; L211-W213 HydrophobicContact CB-CZ3 4.15Å; L211-W213 HydrophobicContact CD1-CH2 4.48Å; L211-W213 HydrophobicContact CD1-CZ2 4.01Å; L211-W213 WeakPolarHBondContact O-CZ3 3.3Å
212	V	92.7	Very high	89.7	Confident	15 Å²	15	85.9 Å²	85.9	9%	0.091	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.9	175.1	179.4	0	0	0	0	108.8	L166 K203 R204 Y205 S218 E219 L221	L166-V212 HydrophobicContact CD2-CG1 4.01Å; L166-V212 HydrophobicContact CD2-CG2 4.3Å; K203-V212 HydrophobicContact CB-CG1 3.51Å; K203-V212 HydrophobicContact CD-CG1 3.81Å; K203-V212 HydrophobicContact CG-CG1 4.29Å; R204-V212 CarbonylContact O-C 3.46Å; R204-V212 VanDerWaalsContact O-CA 3.26Å; R204-V212 WeakPolarHBondContact O-CA 3.45Å; Y205-V212 HydrophobicContact CD2-CG2 3.8Å; V212-S218 WeakPolarHBondContact O-CA 3.35Å; V212-E219 PolarHBondContact N-O 3.48Å; V212-E219 PolarHBondContact O-N 3.02Å; V212-L221 HydrophobicContact CG2-CB 3.87Å; V212-L221 HydrophobicContact CG2-CD1 3.91Å; V212-L221 HydrophobicContact CG2-CG 4.42Å
213	W	91.1	Very high	89.3	Confident	87 Å²	87	85.5 Å²	85.5	33%	0.33	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.6	175.7	-59.9	-94.6	0	0	0	111.5	I169 R204 D206 L211 K217	I169-W213 HydrophobicContact CD1-CE3 3.71Å; I169-W213 HydrophobicContact CD1-CH2 4.48Å; I169-W213 HydrophobicContact CD1-CZ3 3.59Å; R204-W213 HydrophobicContact CB-CB 4.42Å; R204-W213 HydrophobicContact CB-CE3 4.32Å; R204-W213 PolarHBondContact N-O 2.81Å; R204-W213 PolarHBondContact O-N 3Å; D206-W213 HydrophobicContact CB-CH2 3.37Å; D206-W213 HydrophobicContact CB-CZ3 3.33Å; L211-W213 HydrophobicContact CB-CH2 3.69Å; L211-W213 HydrophobicContact CB-CZ2 3.76Å; L211-W213 HydrophobicContact CB-CZ3 4.15Å; L211-W213 HydrophobicContact CD1-CH2 4.48Å; L211-W213 HydrophobicContact CD1-CZ2 4.01Å; L211-W213 WeakPolarHBondContact O-CZ3 3.3Å; W213-K217 VanDerWaalsContact CA-O 3.32Å; W213-K217 WeakPolarHBondContact CA-O 3.48Å
214	F	90.2	Very high	88.8	Confident	59 Å²	59	88.7 Å²	88.7	26%	0.259	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	130.3	174.2	-171.2	-121.3	0	0	0	110.3	L197 K203 N216 K217	L197-F214 HydrophobicContact CD1-CZ 4.38Å; L197-F214 HydrophobicContact CD2-CD2 4.12Å; L197-F214 HydrophobicContact CD2-CE2 3.45Å; L197-F214 VanDerWaalsContact CD2-CE2 3.45Å; L197-F214 HydrophobicContact CD2-CZ 3.83Å; L197-F214 HydrophobicContact CG-CE2 4.04Å; L197-F214 HydrophobicContact CG-CZ 3.88Å; K203-F214 HydrophobicContact CB-CB 4.24Å; K203-F214 HydrophobicContact CB-CD2 4.35Å; K203-F214 HydrophobicContact CD-CB 4.16Å; K203-F214 HydrophobicContact CD-CG 4.26Å; K203-F214 HydrophobicContact CG-CB 3.92Å; K203-F214 HydrophobicContact CG-CD2 3.7Å; K203-F214 HydrophobicContact CG-CE2 4.36Å; K203-F214 HydrophobicContact CG-CG 3.85Å; F214-N216 PolarHBondContact O-N 3.19Å; F214-K217 PolarHBondContact N-O 3.46Å; F214-K217 PolarHBondContact O-N 3.34Å
215	H	85.7	Confident	88.4	Confident	138 Å²	138	81.7 Å²	81.7	64%	0.639	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.3	54.3	-178.4	-66.3	-56.6	0	0	0	114.5	K217	H215-K217 PolarHBondContact O-N 3.48Å; H215-K217 VanDerWaalsContact O-N 3.08Å
216	N	82.9	Confident	88.1	Confident	178 Å²	178	84.6 Å²	84.6	95%	0.952	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	11.9	-179.9	-57.6	-17.3	0	0	0	115.6	F214	F214-N216 PolarHBondContact O-N 3.19Å
217	K	88.9	Confident	87.8	Confident	142 Å²	142	92 Å²	92	62%	0.617	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	141.3	170.9	-63	-177.3	179	-176.2	0	109.6	W213 F214 H215	W213-K217 VanDerWaalsContact CA-O 3.32Å; W213-K217 WeakPolarHBondContact CA-O 3.48Å; F214-K217 PolarHBondContact N-O 3.46Å; F214-K217 PolarHBondContact O-N 3.34Å; H215-K217 PolarHBondContact O-N 3.48Å; H215-K217 VanDerWaalsContact O-N 3.08Å
218	S	88.7	Confident	87.7	Confident	71 Å²	71	97.4 Å²	97.4	50%	0.497	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.6	173.5	60.1	0	0	0	0	109.4	V212	V212-S218 WeakPolarHBondContact O-CA 3.35Å
219	E	91.3	Very high	87.9	Confident	136 Å²	136	88.9 Å²	88.9	64%	0.636	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.5	176.9	-68.1	174.2	-171.1	0	0	108.8	V212	V212-E219 PolarHBondContact N-O 3.48Å; V212-E219 PolarHBondContact O-N 3.02Å
220	K	89.9	Confident	88	Confident	163 Å²	163	85.7 Å²	85.7	71%	0.709	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	135.3	171.6	-172.2	173.3	-177	175.2	0	108.6	N222	K220-N222 PolarHBondContact O-N 3.26Å
221	L	88.4	Confident	88.2	Confident	44 Å²	44	85 Å²	85	23%	0.23	42%	0.418	C	S	.	.			trans	-59.7	112.6	176.6	-176.9	67.9	0	0	0	109.4	L166 Y205 G210 V212 L223 L239	L166-L221 HydrophobicContact CD1-CD1 3.96Å; L166-L221 HydrophobicContact CD1-CD2 4.37Å; Y205-L221 HydrophobicContact CD2-CD2 4.42Å; Y205-L221 HydrophobicContact CE2-CB 4.36Å; Y205-L221 HydrophobicContact CE2-CD2 3.89Å; G210-L221 PolarHBondContact O-N 3.23Å; V212-L221 HydrophobicContact CG2-CB 3.87Å; V212-L221 HydrophobicContact CG2-CD1 3.91Å; V212-L221 HydrophobicContact CG2-CG 4.42Å; L221-L223 HydrophobicContact CD1-CD2 3.83Å; L221-L223 HydrophobicContact CD1-CG 4.45Å; L221-L223 HydrophobicContact CD2-CD2 4.43Å; L221-L223 HydrophobicContact CD2-CG 4.46Å; L221-L223 HydrophobicContact CG-CD2 4.17Å; L221-L223 HydrophobicContact CG-CG 4.26Å; L221-L239 HydrophobicContact CD2-CD1 4.48Å; L221-L239 HydrophobicContact CD2-CD2 3.99Å
222	N	87.1	Confident	88	Confident	112 Å²	112	86.4 Å²	86.4	60%	0.599	42%	0.419	S	S	*	.			trans	-120.1	118.6	168.3	-174.1	15.7	0	0	0	108.3	K220 D224	K220-N222 PolarHBondContact O-N 3.26Å; N222-D224 VanDerWaalsContact CG-OD1 3.29Å; N222-D224 PolarHBondContact ND2-OD1 2.74Å; N222-D224 PolarHBondContact OD1-N 3Å; N222-D224 VanDerWaalsContact OD1-N 3.11Å; N222-D224 PolarHBondContact OD1-OD1 3.47Å
223	L	85.4	Confident	87.6	Confident	31 Å²	31	89.1 Å²	89.1	16%	0.162	43%	0.43	C	S	.	.			trans	-92.4	-12.9	179.4	-62.3	178.4	0	0	0	112.2	T179 L221 I225 A238	T179-L223 HydrophobicContact CG2-CD2 3.52Å; L221-L223 HydrophobicContact CD1-CD2 3.83Å; L221-L223 HydrophobicContact CD1-CG 4.45Å; L221-L223 HydrophobicContact CD2-CD2 4.43Å; L221-L223 HydrophobicContact CD2-CG 4.46Å; L221-L223 HydrophobicContact CG-CD2 4.17Å; L221-L223 HydrophobicContact CG-CG 4.26Å; L223-I225 HydrophobicContact CB-CB 4.46Å; L223-I225 HydrophobicContact CB-CD1 4.11Å; L223-I225 HydrophobicContact CB-CG1 4.31Å; L223-I225 WeakPolarHBondContact O-CG1 3.4Å; L223-I225 PolarHBondContact O-N 3.43Å; L223-A238 HydrophobicContact CD1-CB 3.93Å
224	D	83.5	Confident	87.2	Confident	131 Å²	131	85.2 Å²	85.2	70%	0.701	42%	0.415	S	S	*	.			trans	53.6	31.4	-173.4	-65.4	-40.8	0	0	0	113.9	N222	N222-D224 VanDerWaalsContact CG-OD1 3.29Å; N222-D224 PolarHBondContact ND2-OD1 2.74Å; N222-D224 PolarHBondContact OD1-N 3Å; N222-D224 VanDerWaalsContact OD1-N 3.11Å; N222-D224 PolarHBondContact OD1-OD1 3.47Å
225	I	84.2	Confident	86.8	Confident	23 Å²	23	82.4 Å²	82.4	12%	0.118	40%	0.403	C	S	.	.			trans	-109.2	135.3	-179.5	-66.6	167.4	0	0	0	110	P180 L223 S229 Y232	P180-I225 HydrophobicContact CB-CD1 3.49Å; P180-I225 VanDerWaalsContact CB-CD1 3.49Å; P180-I225 HydrophobicContact CG-CD1 3.35Å; L223-I225 HydrophobicContact CB-CB 4.46Å; L223-I225 HydrophobicContact CB-CD1 4.11Å; L223-I225 HydrophobicContact CB-CG1 4.31Å; L223-I225 WeakPolarHBondContact O-CG1 3.4Å; L223-I225 PolarHBondContact O-N 3.43Å; I225-S229 WeakPolarHBondContact CG2-OG 3.46Å; I225-Y232 HydrophobicContact CB-CE2 4.21Å; I225-Y232 HydrophobicContact CG2-CD2 4.22Å; I225-Y232 HydrophobicContact CG2-CE2 4.1Å; I225-Y232 WeakPolarHBondContact O-CE2 3.25Å
226	P	86.6	Confident	86.6	Confident	65 Å²	65	81 Å²	81	42%	0.422	40%	0.4	S	S	.	.			trans	-60.3	142.4	175.3	-22.3	32.7	0	0	0	112.1	E228 S229 Y232	P226-E228 PolarHBondContact O-N 3.29Å; P226-E228 VanDerWaalsContact O-N 3.09Å; P226-S229 WeakPolarHBondContact O-CB 3.46Å; P226-S229 PolarHBondContact O-N 3.43Å; P226-Y232 VanDerWaalsContact O-CD2 3.29Å; P226-Y232 WeakPolarHBondContact O-CD2 3.5Å
227	K	84.6	Confident	86.7	Confident	182 Å²	182	77.4 Å²	77.4	79%	0.791	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	177.3	-68	-174.3	178.7	-179.2	0	114.1	S229 Y232	K227-S229 PolarHBondContact O-N 3.27Å; K227-Y232 WeakPolarHBondContact O-CB 3.39Å
228	E	86.2	Confident	86.7	Confident	145 Å²	145	70.7 Å²	70.7	68%	0.678	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.5	176	-68.6	-64.1	164.7	0	0	113.8	P226 K233	P226-E228 PolarHBondContact O-N 3.29Å; P226-E228 VanDerWaalsContact O-N 3.09Å; E228-K233 WeakPolarHBondContact O-CE 3.35Å; E228-K233 PolarHBondContact O-NZ 3.31Å; E228-K233 IonicContact OE2-NZ 2.87Å
229	S	90.1	Very high	86.9	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.007	33%	0.327	C	S	.	.	S	Bend	trans	-54.6	143.8	179.7	176.2	0	0	0	0	112	I225 P226 K227 F231 Y232 K233 E343	I225-S229 WeakPolarHBondContact CG2-OG 3.46Å; P226-S229 WeakPolarHBondContact O-CB 3.46Å; P226-S229 PolarHBondContact O-N 3.43Å; K227-S229 PolarHBondContact O-N 3.27Å; S229-F231 PolarHBondContact O-N 3.24Å; S229-F231 VanDerWaalsContact O-N 3.15Å; S229-F231 WeakPolarHBondContact OG-CD2 3.24Å; S229-F231 PolarHBondContact OG-N 3.35Å; S229-F231 VanDerWaalsContact OG-N 3.16Å; S229-Y232 PolarHBondContact O-N 2.73Å; S229-K233 PolarHBondContact O-N 3.09Å; S229-E343 WeakPolarHBondContact CB-OE1 3.2Å; S229-E343 VanDerWaalsContact OG-CD 3.31Å; S229-E343 PolarHBondContact OG-OE1 2.91Å
230	V	90.9	Very high	86.9	Confident	6 Å²	6	61.2 Å²	61.2	4%	0.036	30%	0.297	C	S	.	.	H	α-helix	trans	-53.4	-33.4	171.6	-179.6	0	0	0	0	111.7	K233 L234 F336 D339 L340 E343	V230-K233 PolarHBondContact O-N 3.34Å; V230-L234 HydrophobicContact CG1-CD1 4.36Å; V230-L234 HydrophobicContact CG1-CG 4.42Å; V230-L234 PolarHBondContact O-N 3.37Å; V230-F336 HydrophobicContact CG1-CD2 3.86Å; V230-F336 HydrophobicContact CG1-CE2 3.36Å; V230-F336 HydrophobicContact CG1-CZ 4.42Å; V230-D339 HydrophobicContact CG2-CB 3.67Å; V230-L340 HydrophobicContact CG1-CB 4.29Å; V230-L340 HydrophobicContact CG1-CD1 4.03Å; V230-E343 HydrophobicContact CG2-CB 4.38Å
231	F	91.8	Very high	87	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-37.8	178.5	-61.7	-71.2	0	0	0	112.5	P180 F183 S229 K233 C235 A238 I240 L248 L340 E343 I344 L347	P180-F231 HydrophobicContact CB-CD1 4.18Å; P180-F231 HydrophobicContact CB-CD2 3.61Å; P180-F231 HydrophobicContact CB-CE1 4.21Å; P180-F231 HydrophobicContact CB-CE2 3.69Å; P180-F231 HydrophobicContact CB-CG 3.89Å; P180-F231 HydrophobicContact CB-CZ 3.98Å; P180-F231 HydrophobicContact CG-CB 3.82Å; P180-F231 HydrophobicContact CG-CD1 3.97Å; P180-F231 HydrophobicContact CG-CD2 3.74Å; P180-F231 HydrophobicContact CG-CE1 4.48Å; P180-F231 HydrophobicContact CG-CE2 4.3Å; P180-F231 HydrophobicContact CG-CG 3.56Å; F183-F231 HydrophobicContact CD1-CE1 4.47Å; F183-F231 HydrophobicContact CD1-CZ 4.45Å; S229-F231 PolarHBondContact O-N 3.24Å; S229-F231 VanDerWaalsContact O-N 3.15Å; S229-F231 WeakPolarHBondContact OG-CD2 3.24Å; S229-F231 PolarHBondContact OG-N 3.35Å; S229-F231 VanDerWaalsContact OG-N 3.16Å; F231-K233 VanDerWaalsContact C-N 3.31Å; F231-C235 WeakPolarHBondContact O-CA 3.45Å; F231-C235 VanDerWaalsContact O-CB 3.23Å; F231-C235 WeakPolarHBondContact O-CB 3.37Å; F231-C235 PolarHBondContact O-N 2.99Å; F231-C235 VanDerWaalsContact O-O 3.12Å; F231-A238 HydrophobicContact CB-CB 3.75Å; F231-A238 WeakPolarHBondContact O-CA 3.45Å; F231-I240 HydrophobicContact CD1-CD1 3.66Å; F231-I240 HydrophobicContact CD1-CG1 4.11Å; F231-I240 HydrophobicContact CE1-CD1 3.65Å; F231-L248 HydrophobicContact CD1-CD1 4.37Å; F231-L248 HydrophobicContact CE1-CD1 4.02Å; F231-L340 HydrophobicContact CZ-CD1 4.41Å; F231-E343 HydrophobicContact CD2-CG 3.93Å; F231-E343 HydrophobicContact CE2-CG 3.56Å; F231-I344 HydrophobicContact CZ-CD1 3.92Å; F231-L347 HydrophobicContact CE2-CD1 3.66Å; F231-L347 HydrophobicContact CZ-CD1 4.23Å
232	Y	88	Confident	87.1	Confident	84 Å²	84	53 Å²	53	33%	0.329	26%	0.261	S	S	.	.	H	α-helix	trans	-70.7	-28.4	174.1	-85.8	-70.4	0	0	0	112.9	I225 P226 K227 S229 A238	I225-Y232 HydrophobicContact CB-CE2 4.21Å; I225-Y232 HydrophobicContact CG2-CD2 4.22Å; I225-Y232 HydrophobicContact CG2-CE2 4.1Å; I225-Y232 WeakPolarHBondContact O-CE2 3.25Å; P226-Y232 VanDerWaalsContact O-CD2 3.29Å; P226-Y232 WeakPolarHBondContact O-CD2 3.5Å; K227-Y232 WeakPolarHBondContact O-CB 3.39Å; S229-Y232 PolarHBondContact O-N 2.73Å; Y232-A238 HydrophobicContact CD1-CB 3.97Å; Y232-A238 HydrophobicContact CD2-CB 3.95Å; Y232-A238 HydrophobicContact CE1-CB 3.99Å; Y232-A238 HydrophobicContact CE2-CB 3.99Å; Y232-A238 HydrophobicContact CG-CB 3.95Å
233	K	84.9	Confident	87.2	Confident	73 Å²	73	48.4 Å²	48.4	32%	0.317	24%	0.237	S	C	.	.	H	α-helix	trans	-73.2	-38.2	177.5	-71.3	170.2	176.7	160.8	0	112.2	E228 S229 V230 F231 Y318	E228-K233 WeakPolarHBondContact O-CE 3.35Å; E228-K233 PolarHBondContact O-NZ 3.31Å; E228-K233 IonicContact OE2-NZ 2.87Å; S229-K233 PolarHBondContact O-N 3.09Å; V230-K233 PolarHBondContact O-N 3.34Å; F231-K233 VanDerWaalsContact C-N 3.31Å; K233-Y318 HydrophobicContact CB-CD2 3.85Å; K233-Y318 HydrophobicContact CB-CE2 3.84Å; K233-Y318 HydrophobicContact CB-CG 4.48Å; K233-Y318 HydrophobicContact CD-CE2 3.87Å; K233-Y318 HydrophobicContact CG-CD2 4.39Å; K233-Y318 HydrophobicContact CG-CE2 4.05Å
234	L	82.9	Confident	87.4	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-98.2	-29.6	-175.2	-73.5	-165.4	0	0	0	115.5	V230 F247 L248 A314 F315 Y318 F319 F336	V230-L234 HydrophobicContact CG1-CD1 4.36Å; V230-L234 HydrophobicContact CG1-CG 4.42Å; V230-L234 PolarHBondContact O-N 3.37Å; L234-F247 HydrophobicContact CD1-CE1 4.14Å; L234-L248 HydrophobicContact CD1-CD2 3.95Å; L234-A314 WeakPolarHBondContact O-CB 3.38Å; L234-F315 HydrophobicContact CD2-CD2 4Å; L234-F315 PolarHBondContact O-N 3.19Å; L234-Y318 HydrophobicContact CD2-CD1 3.65Å; L234-Y318 HydrophobicContact CD2-CE1 4.39Å; L234-Y318 HydrophobicContact CD2-CG 4.04Å; L234-F319 HydrophobicContact CD2-CD2 4.41Å; L234-F319 HydrophobicContact CD2-CE2 3.72Å; L234-F319 HydrophobicContact CD2-CZ 4.37Å; L234-F336 HydrophobicContact CD1-CD2 4.32Å; L234-F336 HydrophobicContact CD1-CE2 3.19Å; L234-F336 HydrophobicContact CD1-CZ 3.34Å; L234-F336 HydrophobicContact CD2-CE2 4.22Å; L234-F336 HydrophobicContact CG-CE2 3.81Å; L234-F336 HydrophobicContact CG-CZ 4.38Å
235	C	81.7	Confident	87.8	Confident	1 Å²	1	41 Å²	41	1%	0.007	20%	0.198	C	C	.	.	S	Bend	trans	-119.4	136.6	-173.1	-63.2	0	0	0	0	109.3	F231 Q237 A238 L239 D244	F231-C235 WeakPolarHBondContact O-CA 3.45Å; F231-C235 VanDerWaalsContact O-CB 3.23Å; F231-C235 WeakPolarHBondContact O-CB 3.37Å; F231-C235 PolarHBondContact O-N 2.99Å; F231-C235 VanDerWaalsContact O-O 3.12Å; C235-Q237 PolarHBondContact O-N 3.11Å; C235-Q237 VanDerWaalsContact O-N 3.12Å; C235-A238 PolarHBondContact O-N 3.21Å; C235-L239 WeakPolarHBondContact CB-O 3.34Å; C235-D244 PolarHBondContact SG-OD2 2.93Å
236	D	81.9	Confident	88.1	Confident	107 Å²	107	40 Å²	40	57%	0.572	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-60.5	119.9	176.1	-69.7	-42.1	0	0	0	109.3	A238 L239	D236-A238 PolarHBondContact O-N 3.36Å; D236-A238 VanDerWaalsContact O-N 3.16Å; D236-L239 WeakPolarHBondContact O-CB 3.23Å; D236-L239 PolarHBondContact O-N 3.35Å
237	Q	84.2	Confident	88.2	Confident	104 Å²	104	37.3 Å²	37.3	49%	0.486	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	56.5	26.3	-175.3	-50.6	-174.9	1.2	0	0	114.9	Y205 C235 L239	Y205-Q237 PolarHBondContact OH-OE1 3.04Å; C235-Q237 PolarHBondContact O-N 3.11Å; C235-Q237 VanDerWaalsContact O-N 3.12Å; Q237-L239 HydrophobicContact CB-CG 4.49Å; Q237-L239 PolarHBondContact O-N 3.46Å
238	A	89	Confident	88.6	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	61.8	18.7	-173.6	0	0	0	0	0	114.8	P180 L223 F231 Y232 C235 D236	P180-A238 WeakPolarHBondContact CD-O 3.39Å; P180-A238 HydrophobicContact CG-CB 4.38Å; L223-A238 HydrophobicContact CD1-CB 3.93Å; F231-A238 HydrophobicContact CB-CB 3.75Å; F231-A238 WeakPolarHBondContact O-CA 3.45Å; Y232-A238 HydrophobicContact CD1-CB 3.97Å; Y232-A238 HydrophobicContact CD2-CB 3.95Å; Y232-A238 HydrophobicContact CE1-CB 3.99Å; Y232-A238 HydrophobicContact CE2-CB 3.99Å; Y232-A238 HydrophobicContact CG-CB 3.95Å; C235-A238 PolarHBondContact O-N 3.21Å; D236-A238 PolarHBondContact O-N 3.36Å; D236-A238 VanDerWaalsContact O-N 3.16Å
239	L	92.1	Very high	88.8	Confident	8 Å²	8	22.1 Å²	22.1	4%	0.042	11%	0.106	C	C	.	.			trans	-89.8	117.4	175.8	-66	179.9	0	0	0	111.2	L166 Y177 Y205 L221 C235 D236 Q237	L166-L239 HydrophobicContact CD1-CD2 3.7Å; Y177-L239 HydrophobicContact CD1-CB 3.75Å; Y177-L239 HydrophobicContact CE1-CB 4.37Å; Y177-L239 HydrophobicContact CG-CB 4.13Å; Y177-L239 HydrophobicContact CG-CD1 4.4Å; Y205-L239 HydrophobicContact CD1-CD1 4.27Å; Y205-L239 HydrophobicContact CE1-CD1 3.52Å; L221-L239 HydrophobicContact CD2-CD1 4.48Å; L221-L239 HydrophobicContact CD2-CD2 3.99Å; C235-L239 WeakPolarHBondContact CB-O 3.34Å; D236-L239 WeakPolarHBondContact O-CB 3.23Å; D236-L239 PolarHBondContact O-N 3.35Å; Q237-L239 HydrophobicContact CB-CG 4.49Å; Q237-L239 PolarHBondContact O-N 3.46Å
240	I	92.8	Very high	88.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-89.7	115.1	-172.6	-59.2	164.3	0	0	0	109	M178 P180 F183 F231 D244 F245 L248	M178-I240 HydrophobicContact CB-CB 3.98Å; M178-I240 HydrophobicContact CB-CG2 4.44Å; M178-I240 PolarHBondContact N-O 2.87Å; M178-I240 PolarHBondContact O-N 3.12Å; P180-I240 HydrophobicContact CG-CD1 4.31Å; F183-I240 HydrophobicContact CB-CD1 3.59Å; F183-I240 HydrophobicContact CD2-CD1 4.2Å; F183-I240 HydrophobicContact CG-CD1 3.99Å; F231-I240 HydrophobicContact CD1-CD1 3.66Å; F231-I240 HydrophobicContact CD1-CG1 4.11Å; F231-I240 HydrophobicContact CE1-CD1 3.65Å; I240-D244 HydrophobicContact CG2-CB 3.81Å; I240-F245 HydrophobicContact CG2-CB 4.03Å; I240-L248 HydrophobicContact CD1-CD1 4.14Å; I240-L248 HydrophobicContact CG1-CD1 4.27Å; I240-L248 HydrophobicContact CG2-CD1 4.06Å
241	T	91.7	Very high	88.7	Confident	21 Å²	21	22.2 Å²	22.2	13%	0.129	11%	0.107	C	C	.	.			trans	-78.2	175.1	171.5	64.6	0	0	0	0	111.6	Y177 T243 D244 F245 N312	Y177-T241 HydrophobicContact CD1-CG2 3.93Å; Y177-T241 HydrophobicContact CE1-CG2 3.63Å; T241-T243 VanDerWaalsContact C-N 3.32Å; T241-T243 PolarHBondContact O-N 3.12Å; T241-T243 PolarHBondContact OG1-OG1 2.91Å; T241-D244 PolarHBondContact N-OD2 2.98Å; T241-D244 VanDerWaalsContact N-OD2 3.15Å; T241-D244 PolarHBondContact O-N 3.09Å; T241-D244 PolarHBondContact OG1-N 3.35Å; T241-D244 PolarHBondContact OG1-OD2 3.4Å; T241-F245 VanDerWaalsContact O-CB 3.32Å; T241-F245 WeakPolarHBondContact O-CB 3.42Å; T241-F245 PolarHBondContact O-N 3.24Å; T241-N312 WeakPolarHBondContact CG2-ND2 3.45Å; T241-N312 PolarHBondContact OG1-ND2 3.4Å
242	F	90.4	Very high	88.7	Confident	13 Å²	13	22.3 Å²	22.3	6%	0.057	11%	0.107	C	C	.	.	H	α-helix	trans	-60.5	-39.4	174.1	179.6	-107	0	0	0	113.1	D157 F160 F245 I246 H296 C304 L306	D157-F242 HydrophobicContact CB-CE2 4.31Å; D157-F242 HydrophobicContact CB-CZ 4.41Å; F160-F242 HydrophobicContact CB-CD2 3.72Å; F160-F242 HydrophobicContact CB-CE2 4.12Å; F160-F242 HydrophobicContact CD1-CB 4.01Å; F160-F242 AromaticContact CD1-CD2 3.82Å; F160-F242 HydrophobicContact CD1-CD2 3.82Å; F160-F242 HydrophobicContact CD1-CG 4.37Å; F160-F242 HydrophobicContact CD2-CD2 4.23Å; F160-F242 HydrophobicContact CE1-CB 3.86Å; F160-F242 HydrophobicContact CE2-CB 4.43Å; F160-F242 HydrophobicContact CG-CB 4.37Å; F160-F242 AromaticContact CG-CD2 3.66Å; F160-F242 HydrophobicContact CG-CD2 3.66Å; F160-F242 HydrophobicContact CZ-CB 4.09Å; F160-F242 VanDerWaalsContact CZ-N 3.32Å; F242-F245 HydrophobicContact CD2-CD1 4.34Å; F242-F245 HydrophobicContact CE2-CD1 4.39Å; F242-F245 WeakPolarHBondContact O-CB 3.33Å; F242-F245 PolarHBondContact O-N 3.42Å; F242-I246 HydrophobicContact CD2-CG1 4.47Å; F242-I246 HydrophobicContact CE1-CG1 4.02Å; F242-I246 HydrophobicContact CE2-CD1 3.87Å; F242-I246 HydrophobicContact CE2-CG1 3.93Å; F242-I246 HydrophobicContact CZ-CD1 3.81Å; F242-I246 HydrophobicContact CZ-CG1 3.7Å; F242-I246 WeakPolarHBondContact O-CG1 3.43Å; F242-I246 PolarHBondContact O-N 3.25Å; F242-I246 VanDerWaalsContact O-N 3.13Å; F242-H296 AromaticContact CE1-CE1 3.43Å; F242-H296 VanDerWaalsContact CE1-CE1 3.43Å; F242-H296 WeakPolarHBondContact CE1-CE1 3.49Å; F242-H296 AromaticContact CE1-ND1 3.95Å; F242-H296 AromaticContact CZ-CE1 3.46Å; F242-H296 VanDerWaalsContact CZ-CE1 3.46Å; F242-H296 WeakPolarHBondContact CZ-CE1 3.33Å; F242-H296 AromaticContact CZ-ND1 3.51Å; F242-C304 VanDerWaalsContact CD1-CA 3.46Å; F242-C304 HydrophobicContact CD1-CB 3.59Å; F242-C304 HydrophobicContact CD2-CB 3.93Å; F242-C304 VanDerWaalsContact CE1-C 3.48Å; F242-C304 HydrophobicContact CE1-CB 3.67Å; F242-C304 WeakPolarHBondContact CE1-O 3.36Å; F242-C304 HydrophobicContact CE2-CB 4.01Å; F242-C304 HydrophobicContact CG-CB 3.72Å; F242-C304 HydrophobicContact CZ-CB 3.87Å; F242-L306 HydrophobicContact CD1-CD2 4.42Å; F242-L306 HydrophobicContact CE1-CD2 4.26Å; F242-L306 HydrophobicContact CE1-CG 4.31Å
243	T	87.9	Confident	88.7	Confident	16 Å²	16	19 Å²	19	10%	0.098	10%	0.097	C	C	.	.	H	α-helix	trans	-65.9	-41.3	-179.8	53.6	0	0	0	0	111	T241 F247 L306 N312	T241-T243 VanDerWaalsContact C-N 3.32Å; T241-T243 PolarHBondContact O-N 3.12Å; T241-T243 PolarHBondContact OG1-OG1 2.91Å; T243-F247 PolarHBondContact O-N 3.38Å; T243-L306 HydrophobicContact CG2-CD2 3.99Å; T243-N312 VanDerWaalsContact OG1-CG 3.3Å; T243-N312 PolarHBondContact OG1-ND2 2.86Å; T243-N312 PolarHBondContact OG1-OD1 3.48Å
244	D	90.1	Very high	88.8	Confident	8 Å²	8	15.7 Å²	15.7	4%	0.043	8%	0.082	C	C	.	.	H	α-helix	trans	-66.5	-43.6	174.6	-58.6	-37.7	0	0	0	111.2	C235 I240 T241 I246 F247 L248 N312	C235-D244 PolarHBondContact SG-OD2 2.93Å; I240-D244 HydrophobicContact CG2-CB 3.81Å; T241-D244 PolarHBondContact N-OD2 2.98Å; T241-D244 VanDerWaalsContact N-OD2 3.15Å; T241-D244 PolarHBondContact O-N 3.09Å; T241-D244 PolarHBondContact OG1-N 3.35Å; T241-D244 PolarHBondContact OG1-OD2 3.4Å; D244-I246 PolarHBondContact O-N 2.98Å; D244-F247 WeakPolarHBondContact O-CB 3.42Å; D244-F247 PolarHBondContact O-N 3.45Å; D244-F247 VanDerWaalsContact O-N 3.11Å; D244-L248 WeakPolarHBondContact O-CB 3.21Å; D244-L248 VanDerWaalsContact O-CG 3.26Å; D244-L248 WeakPolarHBondContact O-CG 3.46Å; D244-L248 PolarHBondContact O-N 3.32Å; D244-N312 PolarHBondContact OD1-ND2 3.29Å; D244-N312 PolarHBondContact OD2-ND2 3.25Å
245	F	91.9	Very high	89.1	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-54.4	-50.1	178.8	169.6	-106.9	0	0	0	111.7	P156 I159 F160 M178 F183 I240 T241 F242 F247 L248 L249	P156-F245 HydrophobicContact CB-CE1 4.37Å; I159-F245 HydrophobicContact CB-CZ 4.43Å; I159-F245 HydrophobicContact CG2-CZ 3.89Å; F160-F245 HydrophobicContact CB-CD1 3.98Å; F160-F245 HydrophobicContact CB-CE1 4Å; F160-F245 HydrophobicContact CD2-CB 3.72Å; F160-F245 AromaticContact CD2-CD1 3.89Å; F160-F245 HydrophobicContact CD2-CD1 3.89Å; F160-F245 HydrophobicContact CD2-CD2 4.21Å; F160-F245 AromaticContact CD2-CG 3.68Å; F160-F245 HydrophobicContact CD2-CG 3.68Å; F160-F245 HydrophobicContact CE2-CB 3.99Å; F160-F245 HydrophobicContact CE2-CG 4.41Å; F160-F245 HydrophobicContact CG-CD1 4.33Å; M178-F245 HydrophobicContact CE-CD2 4.43Å; M178-F245 HydrophobicContact CE-CE2 4.31Å; M178-F245 HydrophobicContact SD-CD2 3.72Å; M178-F245 HydrophobicContact SD-CE2 4.05Å; M178-F245 HydrophobicContact SD-CG 4.44Å; F183-F245 AromaticContact CD2-CD2 3.68Å; F183-F245 HydrophobicContact CD2-CD2 3.68Å; F183-F245 HydrophobicContact CD2-CE2 4.17Å; F183-F245 AromaticContact CE2-CD2 3.74Å; F183-F245 HydrophobicContact CE2-CD2 3.74Å; F183-F245 HydrophobicContact CE2-CE2 4.16Å; I240-F245 HydrophobicContact CG2-CB 4.03Å; T241-F245 VanDerWaalsContact O-CB 3.32Å; T241-F245 WeakPolarHBondContact O-CB 3.42Å; T241-F245 PolarHBondContact O-N 3.24Å; F242-F245 HydrophobicContact CD2-CD1 4.34Å; F242-F245 HydrophobicContact CE2-CD1 4.39Å; F242-F245 WeakPolarHBondContact O-CB 3.33Å; F242-F245 PolarHBondContact O-N 3.42Å; F245-F247 VanDerWaalsContact C-N 3.33Å; F245-F247 PolarHBondContact O-N 3.19Å; F245-L248 PolarHBondContact O-N 2.9Å; F245-L249 HydrophobicContact CD1-CD1 4.15Å; F245-L249 HydrophobicContact CD2-CD1 4.26Å; F245-L249 HydrophobicContact CD2-CG 4.39Å; F245-L249 HydrophobicContact CE1-CD1 3.55Å; F245-L249 HydrophobicContact CE2-CD1 3.66Å; F245-L249 HydrophobicContact CE2-CD2 4.49Å; F245-L249 HydrophobicContact CE2-CG 4.05Å; F245-L249 HydrophobicContact CG-CD1 4.48Å; F245-L249 HydrophobicContact CZ-CD1 3.28Å; F245-L249 HydrophobicContact CZ-CG 4.18Å; F245-L249 WeakPolarHBondContact O-CB 3.23Å; F245-L249 WeakPolarHBondContact O-CG 3.4Å; F245-L249 PolarHBondContact O-N 3.44Å
246	I	89.9	Confident	89.5	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-63.7	-41.3	177.8	-61	-61.8	0	0	0	111.2	P156 F242 D244 T250 M287 L306	P156-I246 HydrophobicContact CB-CD1 3.32Å; P156-I246 HydrophobicContact CG-CD1 4.19Å; F242-I246 HydrophobicContact CD2-CG1 4.47Å; F242-I246 HydrophobicContact CE1-CG1 4.02Å; F242-I246 HydrophobicContact CE2-CD1 3.87Å; F242-I246 HydrophobicContact CE2-CG1 3.93Å; F242-I246 HydrophobicContact CZ-CD1 3.81Å; F242-I246 HydrophobicContact CZ-CG1 3.7Å; F242-I246 WeakPolarHBondContact O-CG1 3.43Å; F242-I246 PolarHBondContact O-N 3.25Å; F242-I246 VanDerWaalsContact O-N 3.13Å; D244-I246 PolarHBondContact O-N 2.98Å; I246-T250 WeakPolarHBondContact O-CB 3.44Å; I246-T250 PolarHBondContact O-N 2.89Å; I246-T250 PolarHBondContact O-OG1 3.24Å; I246-M287 HydrophobicContact CG2-CG 4.31Å; I246-M287 HydrophobicContact CG2-SD 3.57Å; I246-M287 VanDerWaalsContact CG2-SD 3.57Å; I246-L306 HydrophobicContact CB-CD1 4.43Å; I246-L306 HydrophobicContact CB-CD2 4.4Å; I246-L306 HydrophobicContact CG1-CD1 4.43Å; I246-L306 HydrophobicContact CG1-CD2 4.38Å; I246-L306 HydrophobicContact CG2-CD1 3.97Å
247	F	89.2	Confident	89.9	Confident	9 Å²	9	28.4 Å²	28.4	4%	0.039	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-51.7	178.3	175.6	-104.1	0	0	0	111.5	L234 T243 D244 F245 L249 T250 V251 F279 R283 F315 F333 F336	L234-F247 HydrophobicContact CD1-CE1 4.14Å; T243-F247 PolarHBondContact O-N 3.38Å; D244-F247 WeakPolarHBondContact O-CB 3.42Å; D244-F247 PolarHBondContact O-N 3.45Å; D244-F247 VanDerWaalsContact O-N 3.11Å; F245-F247 VanDerWaalsContact C-N 3.33Å; F245-F247 PolarHBondContact O-N 3.19Å; F247-L249 VanDerWaalsContact C-N 3.35Å; F247-L249 PolarHBondContact O-N 3.02Å; F247-T250 WeakPolarHBondContact O-CB 3.48Å; F247-T250 PolarHBondContact O-N 3.49Å; F247-T250 VanDerWaalsContact O-N 3.09Å; F247-V251 HydrophobicContact CD1-CG2 4.31Å; F247-V251 HydrophobicContact CD2-CG2 4.23Å; F247-V251 HydrophobicContact CE1-CG2 3.78Å; F247-V251 HydrophobicContact CE2-CG2 3.69Å; F247-V251 HydrophobicContact CZ-CG2 3.42Å; F247-V251 VanDerWaalsContact CZ-CG2 3.42Å; F247-V251 WeakPolarHBondContact O-CG2 3.33Å; F247-V251 PolarHBondContact O-N 2.92Å; F247-F279 HydrophobicContact CE2-CE1 4.4Å; F247-F279 AromaticContact CE2-CZ 3.91Å; F247-F279 HydrophobicContact CE2-CZ 3.91Å; F247-F279 HydrophobicContact CZ-CZ 4.3Å; F247-R283 HydrophobicContact CD2-CG 4.35Å; F247-F315 HydrophobicContact CD1-CD2 4.08Å; F247-F315 HydrophobicContact CD1-CE2 4.12Å; F247-F315 HydrophobicContact CD2-CE2 4.43Å; F247-F315 AromaticContact CE1-CD2 3.71Å; F247-F315 HydrophobicContact CE1-CD2 3.71Å; F247-F315 AromaticContact CE1-CE2 3.42Å; F247-F315 HydrophobicContact CE1-CE2 3.42Å; F247-F315 VanDerWaalsContact CE1-CE2 3.42Å; F247-F315 AromaticContact CE2-CE2 3.8Å; F247-F315 HydrophobicContact CE2-CE2 3.8Å; F247-F315 HydrophobicContact CE2-CZ 4.27Å; F247-F315 HydrophobicContact CZ-CD2 4.03Å; F247-F315 AromaticContact CZ-CE2 3.25Å; F247-F315 HydrophobicContact CZ-CE2 3.25Å; F247-F315 HydrophobicContact CZ-CZ 4.07Å; F247-F333 HydrophobicContact CZ-CE2 4.26Å; F247-F336 HydrophobicContact CE1-CE1 4.03Å; F247-F336 AromaticContact CE1-CZ 3.96Å; F247-F336 HydrophobicContact CE1-CZ 3.96Å; F247-F336 HydrophobicContact CZ-CE1 4.16Å
248	L	92.1	Very high	90.2	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-42.1	179.3	-68.1	171	0	0	0	111.9	F183 F231 L234 I240 D244 F245 T250 V251 L252 L340	F183-L248 HydrophobicContact CD2-CD1 4.38Å; F183-L248 HydrophobicContact CE2-CB 3.71Å; F183-L248 HydrophobicContact CE2-CD1 4.16Å; F183-L248 HydrophobicContact CZ-CB 3.64Å; F183-L248 HydrophobicContact CZ-CD1 4.47Å; F231-L248 HydrophobicContact CD1-CD1 4.37Å; F231-L248 HydrophobicContact CE1-CD1 4.02Å; L234-L248 HydrophobicContact CD1-CD2 3.95Å; I240-L248 HydrophobicContact CD1-CD1 4.14Å; I240-L248 HydrophobicContact CG1-CD1 4.27Å; I240-L248 HydrophobicContact CG2-CD1 4.06Å; D244-L248 WeakPolarHBondContact O-CB 3.21Å; D244-L248 VanDerWaalsContact O-CG 3.26Å; D244-L248 WeakPolarHBondContact O-CG 3.46Å; D244-L248 PolarHBondContact O-N 3.32Å; F245-L248 PolarHBondContact O-N 2.9Å; L248-T250 VanDerWaalsContact C-N 3.34Å; L248-T250 PolarHBondContact O-N 3.28Å; L248-V251 PolarHBondContact O-N 3.25Å; L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 2.92Å; L248-L340 HydrophobicContact CD2-CD1 3.91Å; L248-L340 HydrophobicContact CD2-CD2 3.77Å
249	L	90.9	Very high	90.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-41.6	173.7	-76.6	-177.7	0	0	0	112.5	F183 I187 F245 F247 L252 S253 M292 L486	F183-L249 HydrophobicContact CE2-CD2 4.24Å; F183-L249 HydrophobicContact CE2-CG 4.19Å; F183-L249 HydrophobicContact CZ-CD2 4.09Å; F183-L249 HydrophobicContact CZ-CG 4.39Å; I187-L249 HydrophobicContact CG2-CD2 3.4Å; F245-L249 HydrophobicContact CD1-CD1 4.15Å; F245-L249 HydrophobicContact CD2-CD1 4.26Å; F245-L249 HydrophobicContact CD2-CG 4.39Å; F245-L249 HydrophobicContact CE1-CD1 3.55Å; F245-L249 HydrophobicContact CE2-CD1 3.66Å; F245-L249 HydrophobicContact CE2-CD2 4.49Å; F245-L249 HydrophobicContact CE2-CG 4.05Å; F245-L249 HydrophobicContact CG-CD1 4.48Å; F245-L249 HydrophobicContact CZ-CD1 3.28Å; F245-L249 HydrophobicContact CZ-CG 4.18Å; F245-L249 WeakPolarHBondContact O-CB 3.23Å; F245-L249 WeakPolarHBondContact O-CG 3.4Å; F245-L249 PolarHBondContact O-N 3.44Å; F247-L249 VanDerWaalsContact C-N 3.35Å; F247-L249 PolarHBondContact O-N 3.02Å; L249-L252 PolarHBondContact O-N 2.89Å; L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 3.45Å; L249-S253 PolarHBondContact O-OG 3.48Å; L249-M292 HydrophobicContact CD1-CG 4.39Å; L249-L486 HydrophobicContact CD2-CD1 4.15Å; L249-L486 HydrophobicContact CD2-CD2 4.29Å
250	T	89.6	Confident	90.3	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.049	13%	0.134	C	C	.	.	H	α-helix	trans	-63.3	-45.4	177.7	-59.3	0	0	0	0	110.2	I246 F247 L248 S253 T254 I286 M287 T290	I246-T250 WeakPolarHBondContact O-CB 3.44Å; I246-T250 PolarHBondContact O-N 2.89Å; I246-T250 PolarHBondContact O-OG1 3.24Å; F247-T250 WeakPolarHBondContact O-CB 3.48Å; F247-T250 PolarHBondContact O-N 3.49Å; F247-T250 VanDerWaalsContact O-N 3.09Å; L248-T250 VanDerWaalsContact C-N 3.34Å; L248-T250 PolarHBondContact O-N 3.28Å; T250-S253 PolarHBondContact O-N 3.34Å; T250-S253 PolarHBondContact O-OG 2.93Å; T250-T254 WeakPolarHBondContact O-CB 3.45Å; T250-T254 PolarHBondContact O-N 2.92Å; T250-T254 PolarHBondContact O-OG1 3.38Å; T250-T254 VanDerWaalsContact O-OG1 3.09Å; T250-I286 HydrophobicContact CG2-CB 4.39Å; T250-I286 HydrophobicContact CG2-CG2 3.63Å; T250-M287 HydrophobicContact CG2-CB 4.19Å; T250-T290 HydrophobicContact CG2-CG2 4.08Å
251	V	90.6	Very high	90.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-46.2	176.4	176.3	0	0	0	0	111.6	F247 L248 S253 T254 F259 F333 F336 H337 L340	F247-V251 HydrophobicContact CD1-CG2 4.31Å; F247-V251 HydrophobicContact CD2-CG2 4.23Å; F247-V251 HydrophobicContact CE1-CG2 3.78Å; F247-V251 HydrophobicContact CE2-CG2 3.69Å; F247-V251 HydrophobicContact CZ-CG2 3.42Å; F247-V251 VanDerWaalsContact CZ-CG2 3.42Å; F247-V251 WeakPolarHBondContact O-CG2 3.33Å; F247-V251 PolarHBondContact O-N 2.92Å; L248-V251 PolarHBondContact O-N 3.25Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.45Å; V251-T254 PolarHBondContact O-N 3.44Å; V251-F259 HydrophobicContact CG2-CZ 4.43Å; V251-F333 HydrophobicContact CG2-CZ 4.32Å; V251-F336 HydrophobicContact CG1-CE1 3.83Å; V251-F336 HydrophobicContact CG1-CZ 4.48Å; V251-F336 HydrophobicContact CG2-CE1 4.17Å; V251-H337 HydrophobicContact CG1-CB 4.31Å; V251-H337 PolarHBondContact O-CD2 2.76Å; V251-H337 PolarHBondContact O-NE2 3.2Å; V251-L340 HydrophobicContact CB-CD2 4.16Å; V251-L340 HydrophobicContact CG1-CD2 3.77Å
252	L	90.1	Very high	90.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-68.7	-28.6	-178.6	-75.3	174	0	0	0	114.3	F183 I187 L248 L249 L340 Q341 I344 L486	F183-L252 HydrophobicContact CE1-CD1 3.61Å; F183-L252 HydrophobicContact CZ-CD1 3.73Å; I187-L252 HydrophobicContact CD1-CD1 4.44Å; L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 VanDerWaalsContact O-CG 3.32Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 2.92Å; L249-L252 PolarHBondContact O-N 2.89Å; L252-L340 HydrophobicContact CD2-CD2 4.04Å; L252-L340 HydrophobicContact CD2-CG 3.95Å; L252-L340 HydrophobicContact CG-CD2 3.95Å; L252-L340 HydrophobicContact CG-CG 4.31Å; L252-Q341 HydrophobicContact CD2-CG 4.16Å; L252-I344 HydrophobicContact CD1-CD1 4.27Å; L252-I344 HydrophobicContact CD1-CG1 4.02Å; L252-I344 HydrophobicContact CD2-CG1 4.11Å; L252-L486 HydrophobicContact CB-CD1 4.45Å
253	S	88.2	Confident	90.3	Very high	15 Å²	15	33 Å²	33	11%	0.105	15%	0.152	C	C	.	.	H	α-helix	trans	-89.1	-13.1	-178.1	59.4	0	0	0	0	113.9	L249 T250 V251 T290	L249-S253 WeakPolarHBondContact O-CB 3.43Å; L249-S253 PolarHBondContact O-N 3.45Å; L249-S253 PolarHBondContact O-OG 3.48Å; T250-S253 PolarHBondContact O-N 3.34Å; T250-S253 PolarHBondContact O-OG 2.93Å; V251-S253 VanDerWaalsContact C-N 3.34Å; V251-S253 PolarHBondContact O-N 3.45Å; S253-T290 WeakPolarHBondContact OG-CG2 3.4Å
254	T	88.4	Confident	90.4	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	18%	0.182	C	C	.	.	S	Bend	trans	-100.2	122.7	-176.2	-69.3	0	0	0	0	111.2	T250 V251 Q258 F259 I286 H337	T250-T254 WeakPolarHBondContact O-CB 3.45Å; T250-T254 PolarHBondContact O-N 2.92Å; T250-T254 PolarHBondContact O-OG1 3.38Å; T250-T254 VanDerWaalsContact O-OG1 3.09Å; V251-T254 PolarHBondContact O-N 3.44Å; T254-Q258 HydrophobicContact CG2-CB 3.63Å; T254-Q258 HydrophobicContact CG2-CG 4.43Å; T254-F259 HydrophobicContact CG2-CD1 4.46Å; T254-F259 HydrophobicContact CG2-CD2 3.83Å; T254-F259 HydrophobicContact CG2-CE1 4.11Å; T254-F259 HydrophobicContact CG2-CE2 3.42Å; T254-F259 VanDerWaalsContact CG2-CE2 3.42Å; T254-F259 HydrophobicContact CG2-CG 4.33Å; T254-F259 HydrophobicContact CG2-CZ 3.57Å; T254-I286 HydrophobicContact CG2-CD1 4.4Å; T254-I286 HydrophobicContact CG2-CG2 3.82Å; T254-I286 VanDerWaalsContact OG1-CG2 3.24Å; T254-I286 WeakPolarHBondContact OG1-CG2 3.38Å; T254-H337 PolarHBondContact O-NE2 3.41Å
255	P	88.6	Confident	90.4	Very high	57 Å²	57	47.6 Å²	47.6	37%	0.37	21%	0.213	S	C	.	.			trans	-62.4	147.4	176.1	-23.1	33	0	0	0	113.3	R257 Q258	P255-R257 VanDerWaalsContact C-N 3.27Å; P255-R257 PolarHBondContact O-N 2.97Å; P255-R257 VanDerWaalsContact O-N 3.09Å; P255-Q258 WeakPolarHBondContact O-CB 3.47Å; P255-Q258 PolarHBondContact O-N 2.87Å
256	R	89.8	Confident	90.2	Very high	135 Å²	135	50.3 Å²	50.3	51%	0.509	23%	0.225	S	C	.	.	H	α-helix	trans	-42.2	-48.8	177.2	-174.5	-172.9	166.7	140.5	0.1	113.9	Q258 F259 E260 L334	R256-Q258 VanDerWaalsContact C-N 3.26Å; R256-Q258 PolarHBondContact O-N 2.77Å; R256-F259 WeakPolarHBondContact O-CB 3.5Å; R256-F259 PolarHBondContact O-N 3.31Å; R256-F259 VanDerWaalsContact O-N 3.12Å; R256-E260 IonicContact CZ-OE1 3.98Å; R256-E260 IonicContact NE-OE1 3.13Å; R256-E260 PolarHBondContact NE-OE1 2.82Å; R256-E260 IonicContact NH2-OE1 3.51Å; R256-E260 PolarHBondContact O-N 3.24Å; R256-E260 VanDerWaalsContact O-N 3.12Å; R256-L334 HydrophobicContact CG-CD2 3.93Å
257	R	90.3	Very high	90.2	Very high	188 Å²	188	51.4 Å²	51.4	71%	0.709	23%	0.23	S	C	*	.	H	α-helix	trans	-59.5	-32.6	-178.3	-176.4	173.6	-178.9	138.4	0.4	113.4	P255 F259 E260 I261	P255-R257 VanDerWaalsContact C-N 3.27Å; P255-R257 PolarHBondContact O-N 2.97Å; P255-R257 VanDerWaalsContact O-N 3.09Å; R257-F259 VanDerWaalsContact C-N 3.35Å; R257-E260 PolarHBondContact O-N 3.49Å; R257-I261 HydrophobicContact CG-CD1 3.99Å; R257-I261 VanDerWaalsContact O-CG1 3.3Å; R257-I261 WeakPolarHBondContact O-CG1 3.46Å; R257-I261 PolarHBondContact O-N 2.96Å
258	Q	91	Very high	89.8	Confident	83 Å²	83	58.1 Å²	58.1	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-69.3	-36.6	178.7	-67.5	-173.1	14.6	0	0	111.3	T254 P255 R256 I261 A262	T254-Q258 HydrophobicContact CG2-CB 3.63Å; T254-Q258 HydrophobicContact CG2-CG 4.43Å; P255-Q258 WeakPolarHBondContact O-CB 3.47Å; P255-Q258 PolarHBondContact O-N 2.87Å; R256-Q258 VanDerWaalsContact C-N 3.26Å; R256-Q258 PolarHBondContact O-N 2.77Å; Q258-I261 PolarHBondContact O-N 2.98Å; Q258-A262 WeakPolarHBondContact O-CB 3.46Å; Q258-A262 PolarHBondContact O-N 3.2Å
259	F	91.6	Very high	89.3	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.026	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-42.2	171.5	-69.5	-63.5	0	0	0	111.8	V251 T254 R256 R257 I261 A262 F263 I286 F333 L334 H337	V251-F259 HydrophobicContact CG2-CZ 4.43Å; T254-F259 HydrophobicContact CG2-CD1 4.46Å; T254-F259 HydrophobicContact CG2-CD2 3.83Å; T254-F259 HydrophobicContact CG2-CE1 4.11Å; T254-F259 HydrophobicContact CG2-CE2 3.42Å; T254-F259 VanDerWaalsContact CG2-CE2 3.42Å; T254-F259 HydrophobicContact CG2-CG 4.33Å; T254-F259 HydrophobicContact CG2-CZ 3.57Å; R256-F259 WeakPolarHBondContact O-CB 3.5Å; R256-F259 PolarHBondContact O-N 3.31Å; R256-F259 VanDerWaalsContact O-N 3.12Å; R257-F259 VanDerWaalsContact C-N 3.35Å; F259-I261 VanDerWaalsContact C-N 3.29Å; F259-I261 PolarHBondContact O-N 3.22Å; F259-A262 PolarHBondContact O-N 2.83Å; F259-F263 WeakPolarHBondContact O-CB 3.28Å; F259-F263 VanDerWaalsContact O-CD2 3.28Å; F259-F263 WeakPolarHBondContact O-CD2 3.33Å; F259-F263 PolarHBondContact O-N 2.85Å; F259-I286 HydrophobicContact CD1-CG1 4.44Å; F259-I286 HydrophobicContact CE1-CG1 4.21Å; F259-I286 HydrophobicContact CE1-CG2 4.05Å; F259-I286 HydrophobicContact CZ-CG2 4.27Å; F259-F333 HydrophobicContact CB-CD1 4.35Å; F259-F333 HydrophobicContact CB-CE1 4.07Å; F259-F333 HydrophobicContact CD1-CD1 4.31Å; F259-F333 AromaticContact CD1-CE1 3.36Å; F259-F333 HydrophobicContact CD1-CE1 3.36Å; F259-F333 AromaticContact CD1-CZ 3.87Å; F259-F333 HydrophobicContact CD1-CZ 3.87Å; F259-F333 AromaticContact CD2-CE1 3.9Å; F259-F333 HydrophobicContact CD2-CE1 3.9Å; F259-F333 AromaticContact CE1-CE1 3.64Å; F259-F333 HydrophobicContact CE1-CE1 3.64Å; F259-F333 AromaticContact CE1-CZ 3.71Å; F259-F333 HydrophobicContact CE1-CZ 3.71Å; F259-F333 HydrophobicContact CE2-CE1 4.14Å; F259-F333 HydrophobicContact CG-CD1 4.26Å; F259-F333 AromaticContact CG-CE1 3.51Å; F259-F333 HydrophobicContact CG-CE1 3.51Å; F259-F333 HydrophobicContact CG-CZ 4.4Å; F259-F333 HydrophobicContact CZ-CE1 4.03Å; F259-F333 HydrophobicContact CZ-CZ 4.11Å; F259-L334 HydrophobicContact CB-CD2 4.08Å; F259-H337 AromaticContact CE2-CD2 3.78Å
260	E	91.8	Very high	88.8	Confident	46 Å²	46	64.3 Å²	64.3	22%	0.215	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-40.9	176.3	-69.4	174.8	-176.9	0	0	112.9	R256 R257 R264 I330 L334	R256-E260 IonicContact CZ-OE1 3.98Å; R256-E260 IonicContact NE-OE1 3.13Å; R256-E260 PolarHBondContact NE-OE1 2.82Å; R256-E260 IonicContact NH2-OE1 3.51Å; R256-E260 PolarHBondContact O-N 3.24Å; R256-E260 VanDerWaalsContact O-N 3.12Å; R257-E260 PolarHBondContact O-N 3.49Å; E260-R264 VanDerWaalsContact O-CG 3.26Å; E260-R264 WeakPolarHBondContact O-CG 3.25Å; E260-R264 PolarHBondContact O-N 2.94Å; E260-I330 HydrophobicContact CB-CD1 4.26Å; E260-I330 HydrophobicContact CG-CD1 4.07Å; E260-L334 HydrophobicContact CG-CD1 3.76Å; E260-L334 HydrophobicContact CG-CD2 4.3Å
261	I	92.1	Very high	88.6	Confident	92 Å²	92	67.4 Å²	67.4	47%	0.472	33%	0.329	S	S	.	.	H	α-helix	trans	-69.5	-44.3	176.1	-65.5	165.1	0	0	0	110.8	R257 Q258 F259 R264 M265	R257-I261 HydrophobicContact CG-CD1 3.99Å; R257-I261 VanDerWaalsContact O-CG1 3.3Å; R257-I261 WeakPolarHBondContact O-CG1 3.46Å; R257-I261 PolarHBondContact O-N 2.96Å; Q258-I261 PolarHBondContact O-N 2.98Å; F259-I261 VanDerWaalsContact C-N 3.29Å; F259-I261 PolarHBondContact O-N 3.22Å; I261-R264 PolarHBondContact O-N 3.48Å; I261-M265 WeakPolarHBondContact O-CB 3.38Å; I261-M265 PolarHBondContact O-N 3.41Å
262	A	92.1	Very high	88.2	Confident	8 Å²	8	69.1 Å²	69.1	7%	0.066	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-45.9	-178	0	0	0	0	0	112	Q258 F259 R264 M265 F266 V282 I286	Q258-A262 WeakPolarHBondContact O-CB 3.46Å; Q258-A262 PolarHBondContact O-N 3.2Å; F259-A262 PolarHBondContact O-N 2.83Å; A262-R264 VanDerWaalsContact C-N 3.3Å; A262-R264 PolarHBondContact O-N 2.92Å; A262-M265 PolarHBondContact O-N 2.91Å; A262-M265 VanDerWaalsContact O-N 3.09Å; A262-F266 HydrophobicContact CB-CD2 4.41Å; A262-F266 VanDerWaalsContact O-CD2 3.25Å; A262-F266 WeakPolarHBondContact O-CD2 3.16Å; A262-F266 PolarHBondContact O-N 3.33Å; A262-V282 HydrophobicContact CB-CG1 3.98Å; A262-I286 HydrophobicContact CB-CD1 3.99Å; A262-I286 HydrophobicContact CB-CG1 4.33Å
263	F	90.9	Very high	88.3	Confident	6 Å²	6	72.3 Å²	72.3	3%	0.026	36%	0.361	C	S	.	.	H	α-helix	trans	-57.3	-44.9	175.5	-87.9	-114.5	0	0	0	111.1	F259 M265 D267 L274 F279 V282 L328 I330 F333	F259-F263 WeakPolarHBondContact O-CB 3.28Å; F259-F263 VanDerWaalsContact O-CD2 3.28Å; F259-F263 WeakPolarHBondContact O-CD2 3.33Å; F259-F263 PolarHBondContact O-N 2.85Å; F263-M265 VanDerWaalsContact C-N 3.29Å; F263-M265 PolarHBondContact O-N 2.91Å; F263-D267 WeakPolarHBondContact O-CB 3.4Å; F263-D267 PolarHBondContact O-N 3.14Å; F263-D267 VanDerWaalsContact O-N 3.11Å; F263-L274 HydrophobicContact CB-CD1 4.47Å; F263-L274 HydrophobicContact CD1-CD1 3.42Å; F263-L274 VanDerWaalsContact CD1-CD1 3.42Å; F263-L274 HydrophobicContact CD1-CG 3.65Å; F263-L274 HydrophobicContact CD2-CD1 3.98Å; F263-L274 HydrophobicContact CE1-CB 4.49Å; F263-L274 HydrophobicContact CE1-CD1 3.44Å; F263-L274 VanDerWaalsContact CE1-CD1 3.44Å; F263-L274 HydrophobicContact CE1-CG 3.83Å; F263-L274 HydrophobicContact CE2-CD1 4.01Å; F263-L274 HydrophobicContact CG-CD1 3.71Å; F263-L274 HydrophobicContact CG-CG 4.27Å; F263-L274 HydrophobicContact CZ-CD1 3.74Å; F263-F279 HydrophobicContact CZ-CD2 4.27Å; F263-F279 HydrophobicContact CZ-CE2 4.32Å; F263-V282 HydrophobicContact CD2-CG1 4.35Å; F263-V282 HydrophobicContact CE2-CG1 4.23Å; F263-L328 HydrophobicContact CE1-CD2 4.24Å; F263-L328 HydrophobicContact CE1-CG 4.2Å; F263-L328 HydrophobicContact CZ-CD2 4.05Å; F263-L328 HydrophobicContact CZ-CG 4.48Å; F263-I330 HydrophobicContact CB-CB 4.47Å; F263-I330 HydrophobicContact CB-CD1 3.95Å; F263-I330 HydrophobicContact CB-CG1 4.17Å; F263-I330 HydrophobicContact CD1-CB 3.83Å; F263-I330 HydrophobicContact CD1-CG1 4.06Å; F263-I330 HydrophobicContact CE1-CB 4.45Å; F263-I330 HydrophobicContact CG-CB 4.34Å; F263-I330 HydrophobicContact CG-CD1 4.41Å; F263-I330 HydrophobicContact CG-CG1 4.11Å; F263-F333 HydrophobicContact CE1-CB 4.07Å; F263-F333 HydrophobicContact CE1-CG 4.43Å; F263-F333 HydrophobicContact CE2-CB 4.32Å; F263-F333 AromaticContact CE2-CD1 3.74Å; F263-F333 HydrophobicContact CE2-CD1 3.74Å; F263-F333 HydrophobicContact CE2-CD2 4.4Å; F263-F333 HydrophobicContact CE2-CE1 4.17Å; F263-F333 AromaticContact CE2-CG 3.87Å; F263-F333 HydrophobicContact CE2-CG 3.87Å; F263-F333 HydrophobicContact CZ-CB 3.59Å; F263-F333 AromaticContact CZ-CD1 3.86Å; F263-F333 HydrophobicContact CZ-CD1 3.86Å; F263-F333 AromaticContact CZ-CD2 3.93Å; F263-F333 HydrophobicContact CZ-CD2 3.93Å; F263-F333 AromaticContact CZ-CG 3.48Å; F263-F333 HydrophobicContact CZ-CG 3.48Å; F263-F333 VanDerWaalsContact CZ-CG 3.48Å
264	R	89.4	Confident	88.4	Confident	193 Å²	193	71.7 Å²	71.7	73%	0.728	36%	0.356	S	S	*	.	H	α-helix	trans	-68.2	-23.7	177.3	-70.6	176.6	-175.5	178.3	3.9	114.6	E260 I261 A262	E260-R264 VanDerWaalsContact O-CG 3.26Å; E260-R264 WeakPolarHBondContact O-CG 3.25Å; E260-R264 PolarHBondContact O-N 2.94Å; I261-R264 PolarHBondContact O-N 3.48Å; A262-R264 VanDerWaalsContact C-N 3.3Å; A262-R264 PolarHBondContact O-N 2.92Å
265	M	89.7	Confident	88.5	Confident	139 Å²	139	74.3 Å²	74.3	69%	0.685	37%	0.37	S	S	*	.	H	α-helix	trans	-86.9	-32.1	-177.8	-173.3	68	82	0	0	112.2	I261 A262 F263	I261-M265 WeakPolarHBondContact O-CB 3.38Å; I261-M265 PolarHBondContact O-N 3.41Å; A262-M265 PolarHBondContact O-N 2.91Å; A262-M265 VanDerWaalsContact O-N 3.09Å; F263-M265 VanDerWaalsContact C-N 3.29Å; F263-M265 PolarHBondContact O-N 2.91Å
266	F	88.7	Confident	88.5	Confident	56 Å²	56	73.5 Å²	73.5	25%	0.246	36%	0.363	C	S	.	.	H	α-helix	trans	-106.8	-6.2	-172.8	-68.1	-69.4	0	0	0	114.6	A262 I268 V281 V282 V285	A262-F266 HydrophobicContact CB-CD2 4.41Å; A262-F266 VanDerWaalsContact O-CD2 3.25Å; A262-F266 WeakPolarHBondContact O-CD2 3.16Å; A262-F266 PolarHBondContact O-N 3.33Å; F266-I268 WeakPolarHBondContact O-CG1 3.46Å; F266-I268 PolarHBondContact O-N 3.3Å; F266-I268 VanDerWaalsContact O-N 3.09Å; F266-V281 HydrophobicContact CD1-CB 4.48Å; F266-V281 HydrophobicContact CD1-CG1 3.53Å; F266-V281 HydrophobicContact CE1-CG1 3.53Å; F266-V281 HydrophobicContact CG-CG1 4.21Å; F266-V281 HydrophobicContact CZ-CG1 4.21Å; F266-V282 HydrophobicContact CB-CG2 3.65Å; F266-V282 HydrophobicContact CD2-CG2 3.65Å; F266-V282 HydrophobicContact CG-CG2 3.94Å; F266-V285 HydrophobicContact CE1-CG2 4.39Å; F266-V285 HydrophobicContact CE2-CB 4.22Å; F266-V285 HydrophobicContact CE2-CG1 4.08Å; F266-V285 HydrophobicContact CE2-CG2 4.16Å; F266-V285 HydrophobicContact CZ-CB 4.22Å; F266-V285 HydrophobicContact CZ-CG1 4.12Å; F266-V285 HydrophobicContact CZ-CG2 3.68Å
267	D	89	Confident	88.4	Confident	24 Å²	24	72.4 Å²	72.4	13%	0.128	37%	0.367	C	S	.	.			trans	-68.3	95.1	164.7	173.2	8.7	0	0	0	108.7	F263 N269 G270 D271 G272 L274	F263-D267 WeakPolarHBondContact O-CB 3.4Å; F263-D267 PolarHBondContact O-N 3.14Å; F263-D267 VanDerWaalsContact O-N 3.11Å; D267-N269 PolarHBondContact OD1-OD1 3.17Å; D267-G270 VanDerWaalsContact OD1-CA 3.27Å; D267-G270 WeakPolarHBondContact OD1-CA 3.49Å; D267-G270 PolarHBondContact OD1-N 3.02Å; D267-G270 WeakPolarHBondContact OD2-CA 3.41Å; D267-D271 PolarHBondContact OD1-N 3.41Å; D267-D271 PolarHBondContact OD2-N 2.96Å; D267-G272 VanDerWaalsContact OD2-CA 3.24Å; D267-G272 WeakPolarHBondContact OD2-CA 3.49Å; D267-G272 PolarHBondContact OD2-N 3.19Å; D267-L274 HydrophobicContact CB-CD2 3.79Å
268	I	80.6	Confident	88.4	Confident	150 Å²	150	64.2 Å²	64.2	77%	0.769	34%	0.337	S	S	*	.	S	Bend	trans	-73.1	-35.3	-171.2	-60.6	174.7	0	0	0	110.4	F266 E278	F266-I268 WeakPolarHBondContact O-CG1 3.46Å; F266-I268 PolarHBondContact O-N 3.3Å; F266-I268 VanDerWaalsContact O-N 3.09Å; I268-E278 WeakPolarHBondContact CB-OE1 3.43Å; I268-E278 HydrophobicContact CD1-CG 4.4Å; I268-E278 PolarHBondContact N-OE1 2.84Å
269	N	81.2	Confident	88.3	Confident	78 Å²	78	60.4 Å²	60.4	42%	0.417	32%	0.319	S	S	.	.	S	Bend	trans	-82.2	-17.2	-180	50.5	-40.8	0	0	0	113.1	D267 D271 E278 K327	D267-N269 PolarHBondContact OD1-OD1 3.17Å; N269-D271 VanDerWaalsContact C-N 3.33Å; N269-D271 PolarHBondContact ND2-OD1 3.36Å; N269-D271 PolarHBondContact ND2-OD2 3.2Å; N269-D271 PolarHBondContact O-N 3.08Å; N269-E278 PolarHBondContact OD1-OE1 3.08Å; N269-K327 PolarHBondContact ND2-NZ 3.36Å
270	G	81	Confident	88.1	Confident	59 Å²	59	62.3 Å²	62.3	61%	0.608	33%	0.328	S	S	*	.			trans	69.7	25.4	176.3	0	0	0	0	0	113.9	D267 G272	D267-G270 VanDerWaalsContact OD1-CA 3.27Å; D267-G270 WeakPolarHBondContact OD1-CA 3.49Å; D267-G270 PolarHBondContact OD1-N 3.02Å; D267-G270 WeakPolarHBondContact OD2-CA 3.41Å; G270-G272 VanDerWaalsContact C-N 3.35Å
271	D	85.2	Confident	87.9	Confident	74 Å²	74	63.4 Å²	63.4	40%	0.396	34%	0.337	S	S	.	.	S	Bend	trans	-89.2	-1.6	-180	70.6	-2.8	0	0	0	113.7	D267 N269 E273 K327	D267-D271 PolarHBondContact OD1-N 3.41Å; D267-D271 PolarHBondContact OD2-N 2.96Å; N269-D271 VanDerWaalsContact C-N 3.33Å; N269-D271 PolarHBondContact ND2-OD1 3.36Å; N269-D271 PolarHBondContact ND2-OD2 3.2Å; N269-D271 PolarHBondContact O-N 3.08Å; D271-E273 VanDerWaalsContact C-N 3.32Å; D271-E273 PolarHBondContact OD1-N 3.29Å; D271-E273 VanDerWaalsContact OD1-N 3.08Å; D271-E273 VanDerWaalsContact OD1-O 3.05Å; D271-K327 IonicContact OD2-NZ 3.57Å; D271-K327 PolarHBondContact OD2-NZ 3.05Å
272	G	82.6	Confident	87.7	Confident	36 Å²	36	59.1 Å²	59.1	37%	0.371	32%	0.315	S	S	.	.	S	Bend	trans	83.9	5	-179.9	0	0	0	0	0	114	D267 G270	D267-G272 VanDerWaalsContact OD2-CA 3.24Å; D267-G272 WeakPolarHBondContact OD2-CA 3.49Å; D267-G272 PolarHBondContact OD2-N 3.19Å; G270-G272 VanDerWaalsContact C-N 3.35Å
273	E	91.4	Very high	87.5	Confident	71 Å²	71	60 Å²	60	33%	0.332	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.9	-178.9	-47.9	-170.7	136.3	0	0	110.4	D271 K327 L328 P329	D271-E273 VanDerWaalsContact C-N 3.32Å; D271-E273 PolarHBondContact OD1-N 3.29Å; D271-E273 VanDerWaalsContact OD1-N 3.08Å; D271-E273 VanDerWaalsContact OD1-O 3.05Å; E273-K327 HydrophobicContact CB-CB 3.64Å; E273-K327 HydrophobicContact CB-CD 4.13Å; E273-K327 HydrophobicContact CG-CB 4.5Å; E273-K327 WeakPolarHBondContact OE2-CB 3.25Å; E273-L328 WeakPolarHBondContact CA-O 3.46Å; E273-P329 HydrophobicContact CG-CB 4.18Å
274	L	91.6	Very high	87.3	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137.4	177.7	-61.2	-177.8	0	0	0	111	F263 D267 E278 F279 V282 F320 L328	F263-L274 HydrophobicContact CB-CD1 4.47Å; F263-L274 HydrophobicContact CD1-CD1 3.42Å; F263-L274 VanDerWaalsContact CD1-CD1 3.42Å; F263-L274 HydrophobicContact CD1-CG 3.65Å; F263-L274 HydrophobicContact CD2-CD1 3.98Å; F263-L274 HydrophobicContact CE1-CB 4.49Å; F263-L274 HydrophobicContact CE1-CD1 3.44Å; F263-L274 VanDerWaalsContact CE1-CD1 3.44Å; F263-L274 HydrophobicContact CE1-CG 3.83Å; F263-L274 HydrophobicContact CE2-CD1 4.01Å; F263-L274 HydrophobicContact CG-CD1 3.71Å; F263-L274 HydrophobicContact CG-CG 4.27Å; F263-L274 HydrophobicContact CZ-CD1 3.74Å; D267-L274 HydrophobicContact CB-CD2 3.79Å; L274-E278 HydrophobicContact CB-CB 4.28Å; L274-E278 HydrophobicContact CD2-CB 4.05Å; L274-F279 HydrophobicContact CB-CB 4.44Å; L274-F279 HydrophobicContact CD1-CD2 4.43Å; L274-V282 HydrophobicContact CD1-CB 4.45Å; L274-V282 HydrophobicContact CD1-CG2 3.71Å; L274-F320 WeakPolarHBondContact O-CE1 3.32Å; L274-L328 PolarHBondContact N-O 3.4Å; L274-L328 PolarHBondContact O-N 3.21Å
275	D	90.3	Very high	87.3	Confident	58 Å²	58	57 Å²	57	31%	0.31	32%	0.324	S	S	.	.			trans	-76.3	175.8	162.3	81.6	23.8	0	0	0	111.8	N277 E278 F279 F320	D275-N277 VanDerWaalsContact C-N 3.31Å; D275-N277 PolarHBondContact O-N 3.02Å; D275-N277 WeakPolarHBondContact OD1-CA 3.36Å; D275-N277 WeakPolarHBondContact OD1-CB 3.4Å; D275-N277 PolarHBondContact OD1-N 3.08Å; D275-E278 PolarHBondContact N-OE2 3.42Å; D275-E278 WeakPolarHBondContact OD1-CG 3.29Å; D275-E278 PolarHBondContact OD1-N 3.5Å; D275-F279 VanDerWaalsContact O-CB 3.28Å; D275-F279 WeakPolarHBondContact O-CB 3.24Å; D275-F279 PolarHBondContact O-N 3.49Å; D275-F320 VanDerWaalsContact C-CE1 3.49Å
276	I	88.6	Confident	87.4	Confident	40 Å²	40	50.9 Å²	50.9	21%	0.205	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-34.8	-178.3	-166	170.8	0	0	0	113.2	E280 K316 F320	I276-E280 WeakPolarHBondContact O-CG 3.35Å; I276-E280 PolarHBondContact O-N 2.63Å; I276-E280 VanDerWaalsContact O-N 3.08Å; I276-K316 HydrophobicContact CD1-CD 3.85Å; I276-K316 HydrophobicContact CD1-CG 4.16Å; I276-F320 HydrophobicContact CB-CD1 4.16Å; I276-F320 HydrophobicContact CB-CE1 4.28Å; I276-F320 HydrophobicContact CB-CG 4.36Å; I276-F320 HydrophobicContact CG1-CD2 4.3Å; I276-F320 HydrophobicContact CG1-CE2 4.33Å
277	N	87.3	Confident	87.3	Confident	113 Å²	113	49.8 Å²	49.8	60%	0.604	29%	0.29	S	S	*	.	H	α-helix	trans	-76.1	-44	-177.3	-60.6	-53.3	0	0	0	110.4	D275 F279 E280 V281	D275-N277 VanDerWaalsContact C-N 3.31Å; D275-N277 PolarHBondContact O-N 3.02Å; D275-N277 WeakPolarHBondContact OD1-CA 3.36Å; D275-N277 WeakPolarHBondContact OD1-CB 3.4Å; D275-N277 PolarHBondContact OD1-N 3.08Å; N277-F279 VanDerWaalsContact C-N 3.32Å; N277-E280 PolarHBondContact O-N 3.03Å; N277-V281 WeakPolarHBondContact O-CG2 3.23Å; N277-V281 PolarHBondContact O-N 2.95Å; N277-V281 VanDerWaalsContact O-N 3.1Å
278	E	89.9	Confident	87.3	Confident	16 Å²	16	50.6 Å²	50.6	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-42.3	174.5	-66.1	173.5	140.3	0	0	110.8	I268 N269 L274 D275 E280 V281 V282	I268-E278 WeakPolarHBondContact CB-OE1 3.43Å; I268-E278 HydrophobicContact CD1-CG 4.4Å; I268-E278 PolarHBondContact N-OE1 2.84Å; N269-E278 PolarHBondContact OD1-OE1 3.08Å; L274-E278 HydrophobicContact CB-CB 4.28Å; L274-E278 HydrophobicContact CD2-CB 4.05Å; D275-E278 PolarHBondContact N-OE2 3.42Å; D275-E278 WeakPolarHBondContact OD1-CG 3.29Å; D275-E278 PolarHBondContact OD1-N 3.5Å; E278-E280 VanDerWaalsContact C-N 3.34Å; E278-E280 PolarHBondContact O-N 3.34Å; E278-V281 WeakPolarHBondContact O-CB 3.32Å; E278-V281 PolarHBondContact O-N 3.31Å; E278-V282 WeakPolarHBondContact O-CG2 3.34Å; E278-V282 PolarHBondContact O-N 2.95Å
279	F	89.7	Confident	87.6	Confident	3 Å²	3	46.7 Å²	46.7	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-62	-40.1	174.6	-178.6	-92.2	0	0	0	112.7	F247 F263 L274 D275 N277 V281 V282 R283 F315 F320 L328 F333	F247-F279 HydrophobicContact CE2-CE1 4.4Å; F247-F279 AromaticContact CE2-CZ 3.91Å; F247-F279 HydrophobicContact CE2-CZ 3.91Å; F247-F279 HydrophobicContact CZ-CZ 4.3Å; F263-F279 HydrophobicContact CZ-CD2 4.27Å; F263-F279 HydrophobicContact CZ-CE2 4.32Å; L274-F279 HydrophobicContact CB-CB 4.44Å; L274-F279 HydrophobicContact CD1-CD2 4.43Å; D275-F279 VanDerWaalsContact O-CB 3.28Å; D275-F279 WeakPolarHBondContact O-CB 3.24Å; D275-F279 PolarHBondContact O-N 3.49Å; N277-F279 VanDerWaalsContact C-N 3.32Å; F279-V281 VanDerWaalsContact C-N 3.28Å; F279-V281 PolarHBondContact O-N 3.48Å; F279-V282 WeakPolarHBondContact O-CB 3.45Å; F279-V282 PolarHBondContact O-N 2.8Å; F279-R283 HydrophobicContact CE1-CB 4.18Å; F279-R283 WeakPolarHBondContact O-CB 3.29Å; F279-R283 PolarHBondContact O-N 2.65Å; F279-F315 HydrophobicContact CD1-CE1 4.06Å; F279-F315 AromaticContact CD1-CZ 3.98Å; F279-F315 HydrophobicContact CD1-CZ 3.98Å; F279-F315 AromaticContact CE1-CE1 3.54Å; F279-F315 HydrophobicContact CE1-CE1 3.54Å; F279-F315 HydrophobicContact CE1-CE2 4.19Å; F279-F315 AromaticContact CE1-CZ 3.12Å; F279-F315 HydrophobicContact CE1-CZ 3.12Å; F279-F315 HydrophobicContact CE2-CZ 4.4Å; F279-F315 HydrophobicContact CZ-CE1 4.25Å; F279-F315 HydrophobicContact CZ-CE2 4.15Å; F279-F315 AromaticContact CZ-CZ 3.38Å; F279-F315 HydrophobicContact CZ-CZ 3.38Å; F279-F320 HydrophobicContact CB-CE1 4.24Å; F279-F320 HydrophobicContact CB-CE2 4.38Å; F279-F320 HydrophobicContact CB-CZ 3.49Å; F279-F320 VanDerWaalsContact CB-CZ 3.49Å; F279-F320 HydrophobicContact CD1-CE2 4.19Å; F279-F320 HydrophobicContact CD1-CZ 4.07Å; F279-F320 HydrophobicContact CD2-CZ 4.29Å; F279-F320 HydrophobicContact CG-CE2 4.23Å; F279-F320 AromaticContact CG-CZ 3.67Å; F279-F320 HydrophobicContact CG-CZ 3.67Å; F279-L328 HydrophobicContact CD2-CD2 3.69Å; F279-L328 HydrophobicContact CE2-CD2 3.9Å; F279-F333 AromaticContact CE2-CD2 3.92Å; F279-F333 HydrophobicContact CE2-CD2 3.92Å; F279-F333 AromaticContact CE2-CE2 3.65Å; F279-F333 HydrophobicContact CE2-CE2 3.65Å; F279-F333 HydrophobicContact CE2-CZ 4.49Å; F279-F333 AromaticContact CZ-CE2 3.97Å; F279-F333 HydrophobicContact CZ-CE2 3.97Å
280	E	86.4	Confident	87.8	Confident	46 Å²	46	43.5 Å²	43.5	22%	0.215	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-33.4	175.9	-78.4	-62	115.5	0	0	112.4	I276 N277 E278 R283 S284 C311	I276-E280 WeakPolarHBondContact O-CG 3.35Å; I276-E280 PolarHBondContact O-N 2.63Å; I276-E280 VanDerWaalsContact O-N 3.08Å; N277-E280 PolarHBondContact O-N 3.03Å; E278-E280 VanDerWaalsContact C-N 3.34Å; E278-E280 PolarHBondContact O-N 3.34Å; E280-R283 WeakPolarHBondContact OE1-CD 3.28Å; E280-R283 IonicContact OE1-NH1 3.41Å; E280-R283 PolarHBondContact OE1-NH1 3.06Å; E280-R283 VanDerWaalsContact OE1-NH1 3.15Å; E280-R283 IonicContact OE2-NH1 3.53Å; E280-S284 VanDerWaalsContact O-CB 3.28Å; E280-S284 WeakPolarHBondContact O-CB 3.3Å; E280-S284 PolarHBondContact O-N 3.42Å; E280-C311 PolarHBondContact OE1-SG 2.76Å
281	V	87.7	Confident	88	Confident	68 Å²	68	41.3 Å²	41.3	41%	0.412	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-49.3	170.3	178.2	0	0	0	0	110.5	F266 N277 E278 F279 R283 S284 V285	F266-V281 HydrophobicContact CD1-CB 4.48Å; F266-V281 HydrophobicContact CD1-CG1 3.53Å; F266-V281 HydrophobicContact CE1-CG1 3.53Å; F266-V281 HydrophobicContact CG-CG1 4.21Å; F266-V281 HydrophobicContact CZ-CG1 4.21Å; N277-V281 WeakPolarHBondContact O-CG2 3.23Å; N277-V281 PolarHBondContact O-N 2.95Å; N277-V281 VanDerWaalsContact O-N 3.1Å; E278-V281 WeakPolarHBondContact O-CB 3.32Å; E278-V281 PolarHBondContact O-N 3.31Å; F279-V281 VanDerWaalsContact C-N 3.28Å; F279-V281 PolarHBondContact O-N 3.48Å; V281-R283 VanDerWaalsContact C-N 3.33Å; V281-R283 PolarHBondContact O-N 3.39Å; V281-S284 PolarHBondContact O-N 2.98Å; V281-V285 HydrophobicContact CG1-CG2 4.27Å; V281-V285 WeakPolarHBondContact O-CB 3.49Å; V281-V285 VanDerWaalsContact O-CG2 3.27Å; V281-V285 WeakPolarHBondContact O-CG2 3.45Å; V281-V285 PolarHBondContact O-N 3.08Å
282	V	89.4	Confident	87.8	Confident	2 Å²	2	38 Å²	38	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-55.4	-49.3	176.4	170	0	0	0	0	110.8	A262 F263 F266 L274 E278 F279 S284 V285 I286	A262-V282 HydrophobicContact CB-CG1 3.98Å; F263-V282 HydrophobicContact CD2-CG1 4.35Å; F263-V282 HydrophobicContact CE2-CG1 4.23Å; F266-V282 HydrophobicContact CB-CG2 3.65Å; F266-V282 HydrophobicContact CD2-CG2 3.65Å; F266-V282 HydrophobicContact CG-CG2 3.94Å; L274-V282 HydrophobicContact CD1-CB 4.45Å; L274-V282 HydrophobicContact CD1-CG2 3.71Å; E278-V282 WeakPolarHBondContact O-CG2 3.34Å; E278-V282 PolarHBondContact O-N 2.95Å; F279-V282 WeakPolarHBondContact O-CB 3.45Å; F279-V282 PolarHBondContact O-N 2.8Å; V282-S284 PolarHBondContact O-N 3.32Å; V282-V285 PolarHBondContact O-N 3.48Å; V282-I286 HydrophobicContact CG1-CG1 4.23Å; V282-I286 WeakPolarHBondContact O-CB 3.5Å; V282-I286 VanDerWaalsContact O-CG1 3.29Å; V282-I286 WeakPolarHBondContact O-CG1 3.36Å; V282-I286 PolarHBondContact O-N 3.49Å
283	R	87.9	Confident	87.8	Confident	28 Å²	28	36.8 Å²	36.8	11%	0.106	22%	0.216	C	C	.	.	H	α-helix	trans	-56.9	-49.8	178.6	-179.6	-173.1	178.6	-175.8	2.8	111.3	F247 F279 E280 V281 M287 C311	F247-R283 HydrophobicContact CD2-CG 4.35Å; F279-R283 HydrophobicContact CE1-CB 4.18Å; F279-R283 WeakPolarHBondContact O-CB 3.29Å; F279-R283 PolarHBondContact O-N 2.65Å; E280-R283 WeakPolarHBondContact OE1-CD 3.28Å; E280-R283 IonicContact OE1-NH1 3.41Å; E280-R283 PolarHBondContact OE1-NH1 3.06Å; E280-R283 VanDerWaalsContact OE1-NH1 3.15Å; E280-R283 IonicContact OE2-NH1 3.53Å; V281-R283 VanDerWaalsContact C-N 3.33Å; V281-R283 PolarHBondContact O-N 3.39Å; R283-M287 WeakPolarHBondContact O-CB 3.33Å; R283-M287 PolarHBondContact O-N 3.26Å; R283-C311 PolarHBondContact NH1-SG 3.44Å; R283-C311 VanDerWaalsContact NH1-SG 3.38Å
284	S	86.5	Confident	87.4	Confident	73 Å²	73	40.5 Å²	40.5	51%	0.51	23%	0.227	S	C	.	.	H	α-helix	trans	-61.6	-44.9	-179.7	-176.8	0	0	0	0	111.9	E280 V281 V282 G288	E280-S284 VanDerWaalsContact O-CB 3.28Å; E280-S284 WeakPolarHBondContact O-CB 3.3Å; E280-S284 PolarHBondContact O-N 3.42Å; V281-S284 PolarHBondContact O-N 2.98Å; V282-S284 PolarHBondContact O-N 3.32Å; S284-G288 PolarHBondContact O-N 3.42Å
285	V	89.5	Confident	87	Confident	63 Å²	63	44 Å²	44	38%	0.382	24%	0.24	S	C	.	.	H	α-helix	trans	-64.9	-51	179.8	171	0	0	0	0	111	F266 V281 V282 M287 G288 T289	F266-V285 HydrophobicContact CE1-CG2 4.39Å; F266-V285 HydrophobicContact CE2-CB 4.22Å; F266-V285 HydrophobicContact CE2-CG1 4.08Å; F266-V285 HydrophobicContact CE2-CG2 4.16Å; F266-V285 HydrophobicContact CZ-CB 4.22Å; F266-V285 HydrophobicContact CZ-CG1 4.12Å; F266-V285 HydrophobicContact CZ-CG2 3.68Å; V281-V285 HydrophobicContact CG1-CG2 4.27Å; V281-V285 WeakPolarHBondContact O-CB 3.49Å; V281-V285 VanDerWaalsContact O-CG2 3.27Å; V281-V285 WeakPolarHBondContact O-CG2 3.45Å; V281-V285 PolarHBondContact O-N 3.08Å; V282-V285 PolarHBondContact O-N 3.48Å; V285-M287 PolarHBondContact O-N 3.44Å; V285-G288 PolarHBondContact O-N 3.09Å; V285-T289 WeakPolarHBondContact O-CG2 3.44Å; V285-T289 PolarHBondContact O-N 3.36Å
286	I	90.1	Very high	86.7	Confident	9 Å²	9	42.3 Å²	42.3	5%	0.046	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-46.2	178.9	-64.7	-65.4	0	0	0	110.3	T250 T254 F259 A262 V282 G288 T289 T290	T250-I286 HydrophobicContact CG2-CB 4.39Å; T250-I286 HydrophobicContact CG2-CG2 3.63Å; T254-I286 HydrophobicContact CG2-CD1 4.4Å; T254-I286 HydrophobicContact CG2-CG2 3.82Å; T254-I286 VanDerWaalsContact OG1-CG2 3.24Å; T254-I286 WeakPolarHBondContact OG1-CG2 3.38Å; F259-I286 HydrophobicContact CD1-CG1 4.44Å; F259-I286 HydrophobicContact CE1-CG1 4.21Å; F259-I286 HydrophobicContact CE1-CG2 4.05Å; F259-I286 HydrophobicContact CZ-CG2 4.27Å; A262-I286 HydrophobicContact CB-CD1 3.99Å; A262-I286 HydrophobicContact CB-CG1 4.33Å; V282-I286 HydrophobicContact CG1-CG1 4.23Å; V282-I286 WeakPolarHBondContact O-CB 3.5Å; V282-I286 VanDerWaalsContact O-CG1 3.29Å; V282-I286 WeakPolarHBondContact O-CG1 3.36Å; V282-I286 PolarHBondContact O-N 3.49Å; I286-G288 VanDerWaalsContact C-N 3.28Å; I286-G288 PolarHBondContact O-N 3.05Å; I286-T289 PolarHBondContact O-N 3.03Å; I286-T289 PolarHBondContact O-OG1 3.21Å; I286-T290 PolarHBondContact O-N 2.99Å
287	M	88	Confident	86.3	Confident	33 Å²	33	50.5 Å²	50.5	16%	0.163	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-44.9	176.4	-175.8	177	70.2	0	0	111.1	I246 T250 R283 V285 T289 T290 G293 L306	I246-M287 HydrophobicContact CG2-CG 4.31Å; I246-M287 HydrophobicContact CG2-SD 3.57Å; I246-M287 VanDerWaalsContact CG2-SD 3.57Å; T250-M287 HydrophobicContact CG2-CB 4.19Å; R283-M287 WeakPolarHBondContact O-CB 3.33Å; R283-M287 PolarHBondContact O-N 3.26Å; V285-M287 PolarHBondContact O-N 3.44Å; M287-T289 PolarHBondContact O-N 3.22Å; M287-T289 VanDerWaalsContact O-N 3.15Å; M287-T290 PolarHBondContact O-N 3.33Å; M287-T290 VanDerWaalsContact O-N 3.15Å; M287-T290 PolarHBondContact O-OG1 3.29Å; M287-G293 VanDerWaalsContact O-CA 3.28Å; M287-G293 WeakPolarHBondContact O-CA 3.45Å; M287-L306 HydrophobicContact CE-CD1 3.88Å; M287-L306 HydrophobicContact SD-CD1 3.57Å; M287-L306 VanDerWaalsContact SD-CD1 3.57Å
288	G	87.4	Confident	86.1	Confident	41 Å²	41	49.6 Å²	49.6	42%	0.423	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-17.2	175.6	0	0	0	0	0	115.4	S284 V285 I286 R294	S284-G288 PolarHBondContact O-N 3.42Å; V285-G288 PolarHBondContact O-N 3.09Å; I286-G288 VanDerWaalsContact C-N 3.28Å; I286-G288 PolarHBondContact O-N 3.05Å; G288-R294 WeakPolarHBondContact O-CD 3.29Å; G288-R294 WeakPolarHBondContact O-CG 3.46Å
289	T	87.6	Confident	85.6	Confident	69 Å²	69	51 Å²	51	42%	0.423	26%	0.262	S	S	.	.	H	α-helix	trans	-88	-31.8	173.9	67.8	0	0	0	0	113.4	V285 I286 M287 R294	V285-T289 WeakPolarHBondContact O-CG2 3.44Å; V285-T289 PolarHBondContact O-N 3.36Å; I286-T289 PolarHBondContact O-N 3.03Å; I286-T289 PolarHBondContact O-OG1 3.21Å; M287-T289 PolarHBondContact O-N 3.22Å; M287-T289 VanDerWaalsContact O-N 3.15Å; T289-R294 PolarHBondContact O-NH2 3.2Å
290	T	85.9	Confident	85	Confident	11 Å²	11	57.8 Å²	57.8	7%	0.067	30%	0.297	C	S	.	.	S	Bend	trans	-69.2	157.5	-176.8	67.8	0	0	0	0	111.9	T250 S253 I286 M287 M292 G293 R294	T250-T290 HydrophobicContact CG2-CG2 4.08Å; S253-T290 WeakPolarHBondContact OG-CG2 3.4Å; I286-T290 PolarHBondContact O-N 2.99Å; M287-T290 PolarHBondContact O-N 3.33Å; M287-T290 VanDerWaalsContact O-N 3.15Å; M287-T290 PolarHBondContact O-OG1 3.29Å; T290-M292 VanDerWaalsContact C-N 3.31Å; T290-G293 PolarHBondContact OG1-N 2.89Å; T290-R294 WeakPolarHBondContact O-CG 3.49Å; T290-R294 PolarHBondContact O-N 3.01Å; T290-R294 PolarHBondContact O-NE 3Å
291	A	84.3	Confident	84.3	Confident	12 Å²	12	62 Å²	62	10%	0.099	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-38.1	175.7	0	0	0	0	0	111.6	R295 K488 M490	A291-R295 PolarHBondContact O-N 3.08Å; A291-K488 VanDerWaalsContact CB-O 3.3Å; A291-K488 WeakPolarHBondContact CB-O 3.48Å; A291-M490 HydrophobicContact CB-CG 4.17Å
292	M	81.7	Confident	83.6	Confident	6 Å²	6	60.8 Å²	60.8	3%	0.03	32%	0.319	C	S	.	.	H	α-helix	trans	-70	-47.3	-179	-58.7	-57.1	142.1	0	0	111.9	P156 L249 T290 R294 R295 H296 L486 M490	P156-M292 HydrophobicContact CG-CB 4.27Å; P156-M292 WeakPolarHBondContact CG-O 3.31Å; L249-M292 HydrophobicContact CD1-CG 4.39Å; T290-M292 VanDerWaalsContact C-N 3.31Å; M292-R294 VanDerWaalsContact C-N 3.35Å; M292-R294 PolarHBondContact O-N 3.09Å; M292-R295 PolarHBondContact O-N 3.03Å; M292-R295 VanDerWaalsContact O-N 3.14Å; M292-H296 PolarHBondContact O-N 3.09Å; M292-L486 HydrophobicContact CE-CD2 4.09Å; M292-M490 HydrophobicContact CE-CE 3.99Å; M292-M490 HydrophobicContact CE-CG 3.55Å; M292-M490 HydrophobicContact CE-SD 3.22Å; M292-M490 WeakPolarHBondContact CE-SD 3.5Å; M292-M490 HydrophobicContact SD-CE 4.02Å; M292-M490 HydrophobicContact SD-CG 4.04Å; M292-M490 HydrophobicContact SD-SD 4Å
293	G	82.3	Confident	82.9	Confident	10 Å²	10	63.3 Å²	63.3	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-35	-179.1	0	0	0	0	0	113.5	M287 T290 R295 H296	M287-G293 VanDerWaalsContact O-CA 3.28Å; M287-G293 WeakPolarHBondContact O-CA 3.45Å; T290-G293 PolarHBondContact OG1-N 2.89Å; G293-R295 VanDerWaalsContact C-N 3.3Å; G293-R295 PolarHBondContact O-N 3.24Å; G293-H296 WeakPolarHBondContact O-CB 3.43Å; G293-H296 PolarHBondContact O-N 2.91Å
294	R	83.5	Confident	82.2	Confident	149 Å²	149	62.2 Å²	62.2	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-69.3	-25.7	173.8	-72.8	-172.6	-74.8	175.4	-10.9	114.2	G288 T289 T290 M292	G288-R294 WeakPolarHBondContact O-CD 3.29Å; G288-R294 WeakPolarHBondContact O-CG 3.46Å; T289-R294 PolarHBondContact O-NH2 3.2Å; T290-R294 WeakPolarHBondContact O-CG 3.49Å; T290-R294 PolarHBondContact O-N 3.01Å; T290-R294 PolarHBondContact O-NE 3Å; M292-R294 VanDerWaalsContact C-N 3.35Å; M292-R294 PolarHBondContact O-N 3.09Å
295	R	83.4	Confident	81.7	Confident	74 Å²	74	59.7 Å²	59.7	28%	0.279	32%	0.324	S	S	.	.	H	α-helix	trans	-84.8	-21.7	175.8	-86.3	-56.8	-145.8	-159.5	-5.5	113.2	P156 A291 M292 G293 R297 M490 D491	P156-R295 HydrophobicContact CG-CB 4.46Å; A291-R295 PolarHBondContact O-N 3.08Å; M292-R295 PolarHBondContact O-N 3.03Å; M292-R295 VanDerWaalsContact O-N 3.14Å; G293-R295 VanDerWaalsContact C-N 3.3Å; G293-R295 PolarHBondContact O-N 3.24Å; R295-R297 PolarHBondContact O-N 3.14Å; R295-M490 HydrophobicContact CG-CB 3.52Å; R295-M490 HydrophobicContact CG-CG 4.15Å; R295-M490 PolarHBondContact NE-O 3.27Å; R295-M490 PolarHBondContact NH2-O 3.05Å; R295-D491 WeakPolarHBondContact CD-OD1 3.16Å; R295-D491 IonicContact CZ-OD1 2.73Å; R295-D491 IonicContact CZ-OD2 3.92Å; R295-D491 IonicContact NE-OD1 2.94Å; R295-D491 PolarHBondContact NE-OD1 2.88Å; R295-D491 IonicContact NE-OD2 3.84Å; R295-D491 IonicContact NH1-OD1 2.66Å; R295-D491 PolarHBondContact NH1-OD1 3.3Å; R295-D491 IonicContact NH1-OD2 3.7Å; R295-D491 PolarHBondContact NH1-OD2 3.23Å; R295-D491 IonicContact NH2-OD1 3.47Å; R295-D491 PolarHBondContact NH2-OD1 2.91Å; R295-D491 IonicContact NH2-OD2 2.84Å; R295-D491 PolarHBondContact NH2-OD2 2.97Å
296	H	82.8	Confident	81.1	Confident	23 Å²	23	57.9 Å²	57.9	11%	0.106	31%	0.312	C	S	.	.			trans	-61.8	136.1	177.3	-179	56.1	0	0	0	110.5	P156 F242 M292 G293 D298 L306	P156-H296 HydrophobicContact CG-CB 4.42Å; F242-H296 AromaticContact CE1-CE1 3.43Å; F242-H296 VanDerWaalsContact CE1-CE1 3.43Å; F242-H296 WeakPolarHBondContact CE1-CE1 3.49Å; F242-H296 AromaticContact CE1-ND1 3.95Å; F242-H296 AromaticContact CZ-CE1 3.46Å; F242-H296 VanDerWaalsContact CZ-CE1 3.46Å; F242-H296 WeakPolarHBondContact CZ-CE1 3.33Å; F242-H296 AromaticContact CZ-ND1 3.51Å; M292-H296 PolarHBondContact O-N 3.09Å; G293-H296 WeakPolarHBondContact O-CB 3.43Å; G293-H296 PolarHBondContact O-N 2.91Å; H296-D298 IonicContact CD2-OD1 3Å; H296-D298 IonicContact CE1-OD1 2.65Å; H296-D298 IonicContact NE2-OD1 3Å; H296-D298 PolarHBondContact NE2-OD1 3.13Å; H296-L306 WeakPolarHBondContact CD2-CD1 3.39Å
297	R	81.7	Confident	80.1	Confident	212 Å²	212	63.8 Å²	63.8	80%	0.8	34%	0.337	S	S	*	.			trans	-138.4	134.7	168.4	-68.9	-173.1	176.8	175.7	-1.7	106.2	R295 N299	R295-R297 PolarHBondContact O-N 3.14Å; R297-N299 PolarHBondContact O-N 3.21Å
298	D	81.6	Confident	78.6	Confident	93 Å²	93	68.6 Å²	68.6	50%	0.497	37%	0.371	S	S	.	.			trans	-61.5	122.1	178.2	-71.1	-29.1	0	0	0	110.1	H296 T305 L306	H296-D298 IonicContact CD2-OD1 3Å; H296-D298 IonicContact CE1-OD1 2.65Å; H296-D298 IonicContact NE2-OD1 3Å; H296-D298 PolarHBondContact NE2-OD1 3.13Å; D298-T305 HydrophobicContact CB-CG2 4.07Å; D298-T305 WeakPolarHBondContact OD1-CA 3.32Å; D298-L306 PolarHBondContact OD1-N 2.89Å
299	N	80.5	Confident	77.2	Confident	46 Å²	46	68.7 Å²	68.7	25%	0.246	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-111.8	93.7	178.5	-170.8	-3.4	0	0	0	109	D157 R297 T301 T302 G303 C304	D157-N299 PolarHBondContact OD2-ND2 3.48Å; R297-N299 PolarHBondContact O-N 3.21Å; N299-T301 PolarHBondContact O-N 2.88Å; N299-T301 WeakPolarHBondContact OD1-CB 3.42Å; N299-T301 PolarHBondContact OD1-N 3.06Å; N299-T302 WeakPolarHBondContact CB-OG1 3.31Å; N299-T302 VanDerWaalsContact CG-OG1 3.3Å; N299-T302 VanDerWaalsContact ND2-CG2 3.34Å; N299-T302 WeakPolarHBondContact ND2-CG2 3.25Å; N299-T302 PolarHBondContact ND2-OG1 2.67Å; N299-T302 PolarHBondContact O-N 3.43Å; N299-T302 PolarHBondContact O-OG1 3.44Å; N299-G303 PolarHBondContact O-N 3.4Å; N299-C304 PolarHBondContact N-O 2.87Å; N299-C304 PolarHBondContact O-N 3.11Å
300	L	77.7	Confident	75.7	Confident	145 Å²	145	67.1 Å²	67.1	76%	0.759	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-58.1	-34.8	179.1	-75.4	152.7	0	0	0	111.9	T302 G303 T305	L300-T302 VanDerWaalsContact C-N 3.29Å; L300-T302 PolarHBondContact O-N 2.97Å; L300-G303 PolarHBondContact O-N 3.38Å; L300-T305 HydrophobicContact CD2-CG2 4.28Å; L300-T305 HydrophobicContact CG-CG2 4.3Å
301	T	71.6	Confident	74.4	Confident	135 Å²	135	67 Å²	67	83%	0.828	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-65.4	-32	-178.3	-51.5	0	0	0	0	112.6	N299	N299-T301 PolarHBondContact O-N 2.88Å; N299-T301 WeakPolarHBondContact OD1-CB 3.42Å; N299-T301 PolarHBondContact OD1-N 3.06Å
302	T	72.6	Confident	73.5	Confident	42 Å²	42	68 Å²	68	26%	0.258	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-100.6	0.4	-178.6	61.7	0	0	0	0	113	D157 R161 N299 L300 C304	D157-T302 PolarHBondContact OD1-OG1 3.31Å; R161-T302 VanDerWaalsContact CZ-CG2 3.49Å; N299-T302 WeakPolarHBondContact CB-OG1 3.31Å; N299-T302 VanDerWaalsContact CG-OG1 3.3Å; N299-T302 VanDerWaalsContact ND2-CG2 3.34Å; N299-T302 WeakPolarHBondContact ND2-CG2 3.25Å; N299-T302 PolarHBondContact ND2-OG1 2.67Å; N299-T302 PolarHBondContact O-N 3.43Å; N299-T302 PolarHBondContact O-OG1 3.44Å; L300-T302 VanDerWaalsContact C-N 3.29Å; L300-T302 PolarHBondContact O-N 2.97Å; T302-C304 PolarHBondContact O-N 3.13Å; T302-C304 VanDerWaalsContact O-N 3.09Å; T302-C304 WeakPolarHBondContact OG1-CB 3.28Å
303	G	73.6	Confident	72.8	Confident	55 Å²	55	72 Å²	72	57%	0.567	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-2.5	-172.6	0	0	0	0	0	114.4	N299 L300 T305	N299-G303 PolarHBondContact O-N 3.4Å; L300-G303 PolarHBondContact O-N 3.38Å; G303-T305 PolarHBondContact O-N 3.24Å
304	C	74	Confident	72.4	Confident	5 Å²	5	72 Å²	72	3%	0.034	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-79.2	68.2	-178.9	-65.8	0	0	0	0	110.6	D157 F242 N299 T302	D157-C304 HydrophobicContact CB-CB 4.12Å; D157-C304 WeakPolarHBondContact OD1-CB 3.5Å; D157-C304 PolarHBondContact OD1-SG 3.22Å; F242-C304 VanDerWaalsContact CD1-CA 3.46Å; F242-C304 HydrophobicContact CD1-CB 3.59Å; F242-C304 HydrophobicContact CD2-CB 3.93Å; F242-C304 VanDerWaalsContact CE1-C 3.48Å; F242-C304 HydrophobicContact CE1-CB 3.67Å; F242-C304 WeakPolarHBondContact CE1-O 3.36Å; F242-C304 HydrophobicContact CE2-CB 4.01Å; F242-C304 HydrophobicContact CG-CB 3.72Å; F242-C304 HydrophobicContact CZ-CB 3.87Å; N299-C304 PolarHBondContact N-O 2.87Å; N299-C304 PolarHBondContact O-N 3.11Å; T302-C304 PolarHBondContact O-N 3.13Å; T302-C304 VanDerWaalsContact O-N 3.09Å; T302-C304 WeakPolarHBondContact OG1-CB 3.28Å
305	T	76.9	Confident	72.2	Confident	21 Å²	21	65.1 Å²	65.1	13%	0.129	37%	0.368	C	S	.	.			trans	-116.4	140.3	-178.6	63.8	0	0	0	0	110.5	D298 L300 G303	D298-T305 HydrophobicContact CB-CG2 4.07Å; D298-T305 WeakPolarHBondContact OD1-CA 3.32Å; L300-T305 HydrophobicContact CD2-CG2 4.28Å; L300-T305 HydrophobicContact CG-CG2 4.3Å; G303-T305 PolarHBondContact O-N 3.24Å
306	L	76.5	Confident	72.2	Confident	25 Å²	25	64.3 Å²	64.3	13%	0.131	37%	0.367	C	S	.	.			trans	-101.9	78.1	172.7	-61.8	176.3	0	0	0	108	F242 T243 I246 M287 H296 D298	F242-L306 HydrophobicContact CD1-CD2 4.42Å; F242-L306 HydrophobicContact CE1-CD2 4.26Å; F242-L306 HydrophobicContact CE1-CG 4.31Å; T243-L306 HydrophobicContact CG2-CD2 3.99Å; I246-L306 HydrophobicContact CB-CD1 4.43Å; I246-L306 HydrophobicContact CB-CD2 4.4Å; I246-L306 HydrophobicContact CG1-CD1 4.43Å; I246-L306 HydrophobicContact CG1-CD2 4.38Å; I246-L306 HydrophobicContact CG2-CD1 3.97Å; M287-L306 HydrophobicContact CE-CD1 3.88Å; M287-L306 HydrophobicContact SD-CD1 3.57Å; M287-L306 VanDerWaalsContact SD-CD1 3.57Å; H296-L306 WeakPolarHBondContact CD2-CD1 3.39Å; D298-L306 PolarHBondContact OD1-N 2.89Å
307	K	68.5	Low	72.3	Confident	132 Å²	132	71 Å²	71	57%	0.574	39%	0.391	S	S	*	.			trans	-68.7	138.1	178.7	-66.4	-179.6	-177.7	175.6	0	109.3	G309 S310	K307-G309 PolarHBondContact O-N 2.91Å; K307-G309 VanDerWaalsContact O-N 3.16Å; K307-S310 PolarHBondContact N-OG 2.91Å; K307-S310 WeakPolarHBondContact O-CB 3.44Å; K307-S310 PolarHBondContact O-N 3.48Å; K307-S310 PolarHBondContact O-OG 3.24Å
308	P	57.3	Low	72.6	Confident	135 Å²	135	63.7 Å²	63.7	88%	0.877	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	124.2	172.2	-24.8	33.5	0	0	0	110.3
309	G	56.4	Low	73.1	Confident	42 Å²	42	59.3 Å²	59.3	43%	0.433	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-3	-174.6	0	0	0	0	0	115.8	K307 C311 K316	K307-G309 PolarHBondContact O-N 2.91Å; K307-G309 VanDerWaalsContact O-N 3.16Å; G309-C311 PolarHBondContact O-N 3.39Å; G309-K316 PolarHBondContact O-NZ 2.86Å
310	S	58.1	Low	73.6	Confident	36 Å²	36	57.1 Å²	57.1	25%	0.252	33%	0.329	S	S	.	.			trans	-82.6	23.7	178.5	84.2	0	0	0	0	114.4	K307 N312	K307-S310 PolarHBondContact N-OG 2.91Å; K307-S310 WeakPolarHBondContact O-CB 3.44Å; K307-S310 PolarHBondContact O-N 3.48Å; K307-S310 PolarHBondContact O-OG 3.24Å; S310-N312 PolarHBondContact O-N 2.85Å
311	C	57.8	Low	74.1	Confident	8 Å²	8	50.4 Å²	50.4	5%	0.054	30%	0.295	C	S	.	.			trans	-60.3	132.5	166.1	-6.9	0	0	0	0	107.6	E280 R283 G309 F315 K316	E280-C311 PolarHBondContact OE1-SG 2.76Å; R283-C311 PolarHBondContact NH1-SG 3.44Å; R283-C311 VanDerWaalsContact NH1-SG 3.38Å; G309-C311 PolarHBondContact O-N 3.39Å; C311-F315 HydrophobicContact CB-CD1 3.79Å; C311-F315 HydrophobicContact CB-CE1 4.38Å; C311-K316 HydrophobicContact CB-CD 4.32Å; C311-K316 HydrophobicContact CB-CG 3.9Å; C311-K316 VanDerWaalsContact O-CE 3.29Å; C311-K316 WeakPolarHBondContact O-CE 3.36Å; C311-K316 WeakPolarHBondContact SG-CE 3.46Å
312	N	66.2	Low	74.9	Confident	35 Å²	35	48.5 Å²	48.5	19%	0.187	29%	0.285	C	S	.	.			trans	-58.1	145.8	-177.1	-74.6	3.6	0	0	0	110.7	T241 T243 D244 S310 A314 F315 K316	T241-N312 WeakPolarHBondContact CG2-ND2 3.45Å; T241-N312 PolarHBondContact OG1-ND2 3.4Å; T243-N312 VanDerWaalsContact OG1-CG 3.3Å; T243-N312 PolarHBondContact OG1-ND2 2.86Å; T243-N312 PolarHBondContact OG1-OD1 3.48Å; D244-N312 PolarHBondContact OD1-ND2 3.29Å; D244-N312 PolarHBondContact OD2-ND2 3.25Å; S310-N312 PolarHBondContact O-N 2.85Å; N312-A314 PolarHBondContact O-N 2.86Å; N312-F315 PolarHBondContact O-N 3Å; N312-F315 VanDerWaalsContact O-N 3.11Å; N312-K316 PolarHBondContact O-N 2.71Å; N312-K316 VanDerWaalsContact O-N 3.08Å
313	S	66.1	Low	75.4	Confident	88 Å²	88	53.3 Å²	53.3	62%	0.615	31%	0.309	S	S	*	.	H	α-helix	trans	-51.8	-42.9	-179	-175.6	0	0	0	0	111	K316 R317	S313-K316 PolarHBondContact O-N 3.4Å; S313-R317 WeakPolarHBondContact O-CB 3.34Å; S313-R317 PolarHBondContact O-N 3.04Å
314	A	73.7	Confident	76	Confident	10 Å²	10	51.9 Å²	51.9	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-62.3	-45.6	178.1	0	0	0	0	0	113.7	L234 N312 K316 R317 Y318	L234-A314 WeakPolarHBondContact O-CB 3.38Å; N312-A314 PolarHBondContact O-N 2.86Å; A314-K316 PolarHBondContact O-N 3.39Å; A314-R317 PolarHBondContact O-N 3.33Å; A314-Y318 WeakPolarHBondContact O-CB 3.42Å; A314-Y318 PolarHBondContact O-N 2.84Å
315	F	78.5	Confident	76.6	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-49.1	175.3	168.8	-86.3	0	0	0	111.7	L234 F247 F279 C311 N312 R317 Y318 F319 F320	L234-F315 HydrophobicContact CD2-CD2 4Å; L234-F315 PolarHBondContact O-N 3.19Å; F247-F315 HydrophobicContact CD1-CD2 4.08Å; F247-F315 HydrophobicContact CD1-CE2 4.12Å; F247-F315 HydrophobicContact CD2-CE2 4.43Å; F247-F315 AromaticContact CE1-CD2 3.71Å; F247-F315 HydrophobicContact CE1-CD2 3.71Å; F247-F315 AromaticContact CE1-CE2 3.42Å; F247-F315 HydrophobicContact CE1-CE2 3.42Å; F247-F315 VanDerWaalsContact CE1-CE2 3.42Å; F247-F315 AromaticContact CE2-CE2 3.8Å; F247-F315 HydrophobicContact CE2-CE2 3.8Å; F247-F315 HydrophobicContact CE2-CZ 4.27Å; F247-F315 HydrophobicContact CZ-CD2 4.03Å; F247-F315 AromaticContact CZ-CE2 3.25Å; F247-F315 HydrophobicContact CZ-CE2 3.25Å; F247-F315 HydrophobicContact CZ-CZ 4.07Å; F279-F315 HydrophobicContact CD1-CE1 4.06Å; F279-F315 AromaticContact CD1-CZ 3.98Å; F279-F315 HydrophobicContact CD1-CZ 3.98Å; F279-F315 AromaticContact CE1-CE1 3.54Å; F279-F315 HydrophobicContact CE1-CE1 3.54Å; F279-F315 HydrophobicContact CE1-CE2 4.19Å; F279-F315 AromaticContact CE1-CZ 3.12Å; F279-F315 HydrophobicContact CE1-CZ 3.12Å; F279-F315 HydrophobicContact CE2-CZ 4.4Å; F279-F315 HydrophobicContact CZ-CE1 4.25Å; F279-F315 HydrophobicContact CZ-CE2 4.15Å; F279-F315 AromaticContact CZ-CZ 3.38Å; F279-F315 HydrophobicContact CZ-CZ 3.38Å; C311-F315 HydrophobicContact CB-CD1 3.79Å; C311-F315 HydrophobicContact CB-CE1 4.38Å; N312-F315 PolarHBondContact O-N 3Å; N312-F315 VanDerWaalsContact O-N 3.11Å; F315-R317 VanDerWaalsContact C-N 3.31Å; F315-R317 PolarHBondContact O-N 2.99Å; F315-Y318 PolarHBondContact O-N 3.45Å; F315-F319 HydrophobicContact CD1-CD2 4.47Å; F315-F319 AromaticContact CD2-CD2 3.69Å; F315-F319 HydrophobicContact CD2-CD2 3.69Å; F315-F319 AromaticContact CD2-CE2 3.6Å; F315-F319 HydrophobicContact CD2-CE2 3.6Å; F315-F319 HydrophobicContact CE1-CD2 4.03Å; F315-F319 AromaticContact CE2-CD2 3.16Å; F315-F319 HydrophobicContact CE2-CD2 3.16Å; F315-F319 AromaticContact CE2-CE2 3.06Å; F315-F319 HydrophobicContact CE2-CE2 3.06Å; F315-F319 HydrophobicContact CE2-CG 4.44Å; F315-F319 HydrophobicContact CE2-CZ 4.27Å; F315-F319 HydrophobicContact CG-CD2 4.28Å; F315-F319 AromaticContact CZ-CD2 3.28Å; F315-F319 HydrophobicContact CZ-CD2 3.28Å; F315-F319 AromaticContact CZ-CE2 3.67Å; F315-F319 HydrophobicContact CZ-CE2 3.67Å; F315-F319 HydrophobicContact CZ-CG 4.28Å; F315-F319 WeakPolarHBondContact O-CD2 3.38Å; F315-F319 PolarHBondContact O-N 3.18Å; F315-F320 HydrophobicContact CE1-CE2 4.21Å
316	K	83.6	Confident	77.3	Confident	57 Å²	57	60.9 Å²	60.9	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-44.7	179.5	-67.8	-177.3	177.5	-179.2	0	110.5	I276 G309 C311 N312 S313 A314 Y318 F319 F320	I276-K316 HydrophobicContact CD1-CD 3.85Å; I276-K316 HydrophobicContact CD1-CG 4.16Å; G309-K316 PolarHBondContact O-NZ 2.86Å; C311-K316 HydrophobicContact CB-CD 4.32Å; C311-K316 HydrophobicContact CB-CG 3.9Å; C311-K316 VanDerWaalsContact O-CE 3.29Å; C311-K316 WeakPolarHBondContact O-CE 3.36Å; C311-K316 WeakPolarHBondContact SG-CE 3.46Å; N312-K316 PolarHBondContact O-N 2.71Å; N312-K316 VanDerWaalsContact O-N 3.08Å; S313-K316 PolarHBondContact O-N 3.4Å; A314-K316 PolarHBondContact O-N 3.39Å; K316-Y318 VanDerWaalsContact C-N 3.32Å; K316-Y318 PolarHBondContact O-N 2.94Å; K316-F319 PolarHBondContact O-N 3.41Å; K316-F320 WeakPolarHBondContact O-CA 3.35Å; K316-F320 WeakPolarHBondContact O-CB 3.45Å; K316-F320 PolarHBondContact O-N 3.09Å
317	R	86.2	Confident	78	Confident	164 Å²	164	63.5 Å²	63.5	62%	0.619	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-39.7	177.9	-177.9	174.5	177.3	179.2	1	112.9	S313 A314 F315 G321	S313-R317 WeakPolarHBondContact O-CB 3.34Å; S313-R317 PolarHBondContact O-N 3.04Å; A314-R317 PolarHBondContact O-N 3.33Å; F315-R317 VanDerWaalsContact C-N 3.31Å; F315-R317 PolarHBondContact O-N 2.99Å; R317-G321 WeakPolarHBondContact CA-O 3.12Å; R317-G321 CarbonylContact O-C 3.34Å; R317-G321 WeakPolarHBondContact O-CA 3.33Å; R317-G321 PolarHBondContact O-N 3.46Å; R317-G321 VanDerWaalsContact O-N 3.07Å
318	Y	88.1	Confident	79.2	Confident	58 Å²	58	57.2 Å²	57.2	23%	0.227	32%	0.321	C	S	.	.	H	α-helix	trans	-67.9	-45.1	-179.8	-179.8	-106.9	0	0	0	112.5	K233 L234 A314 F315 K316 K332 F336	K233-Y318 HydrophobicContact CB-CD2 3.85Å; K233-Y318 HydrophobicContact CB-CE2 3.84Å; K233-Y318 HydrophobicContact CB-CG 4.48Å; K233-Y318 HydrophobicContact CD-CE2 3.87Å; K233-Y318 HydrophobicContact CG-CD2 4.39Å; K233-Y318 HydrophobicContact CG-CE2 4.05Å; L234-Y318 HydrophobicContact CD2-CD1 3.65Å; L234-Y318 HydrophobicContact CD2-CE1 4.39Å; L234-Y318 HydrophobicContact CD2-CG 4.04Å; A314-Y318 WeakPolarHBondContact O-CB 3.42Å; A314-Y318 PolarHBondContact O-N 2.84Å; F315-Y318 PolarHBondContact O-N 3.45Å; K316-Y318 VanDerWaalsContact C-N 3.32Å; K316-Y318 PolarHBondContact O-N 2.94Å; Y318-K332 WeakPolarHBondContact O-CE 3.28Å; Y318-K332 PolarHBondContact O-NZ 2.93Å; Y318-F336 HydrophobicContact CE1-CB 4.49Å; Y318-F336 HydrophobicContact CE1-CD2 4.27Å
319	F	90.7	Very high	80.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-84.5	-43.4	-176.5	-72.9	-62.6	0	0	0	113.5	L234 F315 K316 L328 K332 F333 F336	L234-F319 HydrophobicContact CD2-CD2 4.41Å; L234-F319 HydrophobicContact CD2-CE2 3.72Å; L234-F319 HydrophobicContact CD2-CZ 4.37Å; F315-F319 HydrophobicContact CD1-CD2 4.47Å; F315-F319 AromaticContact CD2-CD2 3.69Å; F315-F319 HydrophobicContact CD2-CD2 3.69Å; F315-F319 AromaticContact CD2-CE2 3.6Å; F315-F319 HydrophobicContact CD2-CE2 3.6Å; F315-F319 HydrophobicContact CE1-CD2 4.03Å; F315-F319 AromaticContact CE2-CD2 3.16Å; F315-F319 HydrophobicContact CE2-CD2 3.16Å; F315-F319 AromaticContact CE2-CE2 3.06Å; F315-F319 HydrophobicContact CE2-CE2 3.06Å; F315-F319 HydrophobicContact CE2-CG 4.44Å; F315-F319 HydrophobicContact CE2-CZ 4.27Å; F315-F319 HydrophobicContact CG-CD2 4.28Å; F315-F319 AromaticContact CZ-CD2 3.28Å; F315-F319 HydrophobicContact CZ-CD2 3.28Å; F315-F319 AromaticContact CZ-CE2 3.67Å; F315-F319 HydrophobicContact CZ-CE2 3.67Å; F315-F319 HydrophobicContact CZ-CG 4.28Å; F315-F319 WeakPolarHBondContact O-CD2 3.38Å; F315-F319 PolarHBondContact O-N 3.18Å; K316-F319 PolarHBondContact O-N 3.41Å; F319-L328 HydrophobicContact CB-CD1 4.26Å; F319-L328 HydrophobicContact CB-CD2 4.15Å; F319-L328 HydrophobicContact CD1-CD1 3.42Å; F319-L328 VanDerWaalsContact CD1-CD1 3.42Å; F319-L328 HydrophobicContact CD1-CD2 3.86Å; F319-L328 HydrophobicContact CD1-CG 4.27Å; F319-L328 HydrophobicContact CE1-CD1 4.17Å; F319-L328 HydrophobicContact CG-CD1 4.21Å; F319-L328 HydrophobicContact CG-CD2 4.06Å; F319-K332 PolarHBondContact O-NZ 3.39Å; F319-F333 HydrophobicContact CE1-CD2 4.16Å; F319-F333 HydrophobicContact CZ-CD2 4.22Å; F319-F336 HydrophobicContact CE1-CB 4.03Å; F319-F336 HydrophobicContact CE1-CD1 4.3Å; F319-F336 HydrophobicContact CE1-CG 4.09Å; F319-F336 HydrophobicContact CZ-CB 4Å; F319-F336 AromaticContact CZ-CD1 3.57Å; F319-F336 HydrophobicContact CZ-CD1 3.57Å; F319-F336 AromaticContact CZ-CD2 3.96Å; F319-F336 HydrophobicContact CZ-CD2 3.96Å; F319-F336 HydrophobicContact CZ-CE1 4.03Å; F319-F336 HydrophobicContact CZ-CE2 4.4Å; F319-F336 AromaticContact CZ-CG 3.53Å; F319-F336 HydrophobicContact CZ-CG 3.53Å; F319-F336 HydrophobicContact CZ-CZ 4.44Å
320	F	91.4	Very high	82.6	Confident	1 Å²	1	52.3 Å²	52.3	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-111.8	6.9	-169.9	-53	-85.1	0	0	0	113.8	L274 D275 I276 F279 F315 K316 G324 D325 Q326 L328	L274-F320 WeakPolarHBondContact O-CE1 3.32Å; D275-F320 VanDerWaalsContact C-CE1 3.49Å; I276-F320 HydrophobicContact CB-CD1 4.16Å; I276-F320 HydrophobicContact CB-CE1 4.28Å; I276-F320 HydrophobicContact CB-CG 4.36Å; I276-F320 HydrophobicContact CG1-CD2 4.3Å; I276-F320 HydrophobicContact CG1-CE2 4.33Å; F279-F320 HydrophobicContact CB-CE1 4.24Å; F279-F320 HydrophobicContact CB-CE2 4.38Å; F279-F320 HydrophobicContact CB-CZ 3.49Å; F279-F320 VanDerWaalsContact CB-CZ 3.49Å; F279-F320 HydrophobicContact CD1-CE2 4.19Å; F279-F320 HydrophobicContact CD1-CZ 4.07Å; F279-F320 HydrophobicContact CD2-CZ 4.29Å; F279-F320 HydrophobicContact CG-CE2 4.23Å; F279-F320 AromaticContact CG-CZ 3.67Å; F279-F320 HydrophobicContact CG-CZ 3.67Å; F315-F320 HydrophobicContact CE1-CE2 4.21Å; K316-F320 WeakPolarHBondContact O-CA 3.35Å; K316-F320 WeakPolarHBondContact O-CB 3.45Å; K316-F320 PolarHBondContact O-N 3.09Å; F320-G324 CarbonylContact O-C 3.59Å; F320-G324 VanDerWaalsContact O-CA 3.25Å; F320-G324 WeakPolarHBondContact O-CA 3.44Å; F320-G324 PolarHBondContact O-N 3.05Å; F320-D325 PolarHBondContact O-N 2.87Å; F320-Q326 WeakPolarHBondContact CA-O 3.24Å; F320-Q326 WeakPolarHBondContact CB-O 3.4Å; F320-Q326 WeakPolarHBondContact CD1-O 3.27Å; F320-Q326 WeakPolarHBondContact O-CB 3.23Å; F320-Q326 PolarHBondContact O-N 3.48Å; F320-L328 HydrophobicContact CD1-CB 4.48Å; F320-L328 HydrophobicContact CE1-CB 3.8Å; F320-L328 HydrophobicContact CZ-CB 4.11Å; F320-L328 HydrophobicContact CZ-CD2 4.16Å
321	G	89.3	Confident	84.2	Confident	4 Å²	4	54.4 Å²	54.4	4%	0.041	29%	0.293	C	S	.	.			trans	78	174.1	179.7	0	0	0	0	0	114	R317 D323 G324	R317-G321 WeakPolarHBondContact CA-O 3.12Å; R317-G321 CarbonylContact O-C 3.34Å; R317-G321 WeakPolarHBondContact O-CA 3.33Å; R317-G321 PolarHBondContact O-N 3.46Å; R317-G321 VanDerWaalsContact O-N 3.07Å; G321-D323 VanDerWaalsContact C-N 3.27Å; G321-D323 PolarHBondContact O-N 3.39Å; G321-G324 PolarHBondContact O-N 3.4Å
322	P	86.6	Confident	85.9	Confident	95 Å²	95	56.9 Å²	56.9	62%	0.617	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-37.2	-175.5	-24.4	34.5	0	0	0	114.3
323	D	85	Confident	87.2	Confident	143 Å²	143	55.3 Å²	55.3	77%	0.765	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-7.5	-177.1	-58.8	-46.8	0	0	0	112.8	G321 D325	G321-D323 VanDerWaalsContact C-N 3.27Å; G321-D323 PolarHBondContact O-N 3.39Å; D323-D325 VanDerWaalsContact C-N 3.33Å
324	G	85	Confident	88.4	Confident	25 Å²	25	51.7 Å²	51.7	26%	0.258	27%	0.268	S	S	.	.	S	Bend	trans	75	19.2	179.9	0	0	0	0	0	114.6	F320 G321	F320-G324 CarbonylContact O-C 3.59Å; F320-G324 VanDerWaalsContact O-CA 3.25Å; F320-G324 WeakPolarHBondContact O-CA 3.44Å; F320-G324 PolarHBondContact O-N 3.05Å; G321-G324 PolarHBondContact O-N 3.4Å
325	D	87.2	Confident	89.4	Confident	116 Å²	116	56.5 Å²	56.5	62%	0.62	29%	0.289	S	S	*	.			trans	-96.8	-20	-174.9	65.9	-28.5	0	0	0	113.7	F320 D323	F320-D325 PolarHBondContact O-N 2.87Å; D323-D325 VanDerWaalsContact C-N 3.33Å
326	Q	91.5	Very high	90.1	Very high	98 Å²	98	56.3 Å²	56.3	46%	0.458	29%	0.288	S	S	.	.	S	Bend	trans	-73.2	135.3	-180	-54.8	-179	-3.3	0	0	110.1	F320	F320-Q326 WeakPolarHBondContact CA-O 3.24Å; F320-Q326 WeakPolarHBondContact CB-O 3.4Å; F320-Q326 WeakPolarHBondContact CD1-O 3.27Å; F320-Q326 WeakPolarHBondContact O-CB 3.23Å; F320-Q326 PolarHBondContact O-N 3.48Å
327	K	91.6	Very high	90.4	Very high	80 Å²	80	53.9 Å²	53.9	35%	0.348	28%	0.278	S	S	.	.			trans	-77.8	151.8	173	-57.5	-170.1	-179.3	-166.8	0	111.3	N269 D271 E273 P329	N269-K327 PolarHBondContact ND2-NZ 3.36Å; D271-K327 IonicContact OD2-NZ 3.57Å; D271-K327 PolarHBondContact OD2-NZ 3.05Å; E273-K327 HydrophobicContact CB-CB 3.64Å; E273-K327 HydrophobicContact CB-CD 4.13Å; E273-K327 HydrophobicContact CG-CB 4.5Å; E273-K327 WeakPolarHBondContact OE2-CB 3.25Å; K327-P329 VanDerWaalsContact O-CD 3.23Å; K327-P329 WeakPolarHBondContact O-CD 3.46Å
328	L	92.8	Very high	90.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	104.6	-179.7	175.6	55.5	0	0	0	110.6	F263 E273 L274 F279 F319 F320 K332 F333	F263-L328 HydrophobicContact CE1-CD2 4.24Å; F263-L328 HydrophobicContact CE1-CG 4.2Å; F263-L328 HydrophobicContact CZ-CD2 4.05Å; F263-L328 HydrophobicContact CZ-CG 4.48Å; E273-L328 WeakPolarHBondContact CA-O 3.46Å; L274-L328 PolarHBondContact N-O 3.4Å; L274-L328 PolarHBondContact O-N 3.21Å; F279-L328 HydrophobicContact CD2-CD2 3.69Å; F279-L328 HydrophobicContact CE2-CD2 3.9Å; F319-L328 HydrophobicContact CB-CD1 4.26Å; F319-L328 HydrophobicContact CB-CD2 4.15Å; F319-L328 HydrophobicContact CD1-CD1 3.42Å; F319-L328 VanDerWaalsContact CD1-CD1 3.42Å; F319-L328 HydrophobicContact CD1-CD2 3.86Å; F319-L328 HydrophobicContact CD1-CG 4.27Å; F319-L328 HydrophobicContact CE1-CD1 4.17Å; F319-L328 HydrophobicContact CG-CD1 4.21Å; F319-L328 HydrophobicContact CG-CD2 4.06Å; F320-L328 HydrophobicContact CD1-CB 4.48Å; F320-L328 HydrophobicContact CE1-CB 3.8Å; F320-L328 HydrophobicContact CZ-CB 4.11Å; F320-L328 HydrophobicContact CZ-CD2 4.16Å; L328-K332 HydrophobicContact CD1-CB 4.04Å; L328-K332 HydrophobicContact CD1-CD 3.91Å; L328-K332 HydrophobicContact CD1-CG 4.05Å; L328-F333 HydrophobicContact CD1-CB 4.39Å; L328-F333 HydrophobicContact CD2-CB 4.3Å; L328-F333 HydrophobicContact CD2-CD2 4.05Å; L328-F333 HydrophobicContact CG-CB 4.45Å
329	P	92.8	Very high	90.9	Very high	33 Å²	33	46.1 Å²	46.1	21%	0.214	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	143.6	171.8	27	-33.3	0	0	0	110.6	E273 K327 S331 K332 F333	E273-P329 HydrophobicContact CG-CB 4.18Å; K327-P329 VanDerWaalsContact O-CD 3.23Å; K327-P329 WeakPolarHBondContact O-CD 3.46Å; P329-S331 PolarHBondContact O-N 2.88Å; P329-K332 HydrophobicContact CG-CB 3.82Å; P329-K332 PolarHBondContact O-N 2.76Å; P329-K332 VanDerWaalsContact O-N 3.14Å; P329-F333 PolarHBondContact O-N 2.81Å
330	I	91.5	Very high	91	Very high	42 Å²	42	46.1 Å²	46.1	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-53	-39.5	177.3	-173.8	174.6	0	0	0	112.6	E260 F263 K332 F333 L334	E260-I330 HydrophobicContact CB-CD1 4.26Å; E260-I330 HydrophobicContact CG-CD1 4.07Å; F263-I330 HydrophobicContact CB-CB 4.47Å; F263-I330 HydrophobicContact CB-CD1 3.95Å; F263-I330 HydrophobicContact CB-CG1 4.17Å; F263-I330 HydrophobicContact CD1-CB 3.83Å; F263-I330 HydrophobicContact CD1-CG1 4.06Å; F263-I330 HydrophobicContact CE1-CB 4.45Å; F263-I330 HydrophobicContact CG-CB 4.34Å; F263-I330 HydrophobicContact CG-CD1 4.41Å; F263-I330 HydrophobicContact CG-CG1 4.11Å; I330-K332 PolarHBondContact O-N 3.03Å; I330-F333 PolarHBondContact O-N 2.94Å; I330-L334 HydrophobicContact CD1-CD1 4.35Å; I330-L334 HydrophobicContact CG1-CD1 3.99Å; I330-L334 HydrophobicContact CG1-CG 4.06Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.44Å
331	S	93	Very high	91	Very high	79 Å²	79	47.4 Å²	47.4	55%	0.552	26%	0.26	S	S	*	.	H	α-helix	trans	-60.2	-42.4	-179.3	54.8	0	0	0	0	112.4	P329 F333 L334 Q335	P329-S331 PolarHBondContact O-N 2.88Å; S331-F333 VanDerWaalsContact C-N 3.35Å; S331-L334 PolarHBondContact O-N 3.5Å; S331-Q335 WeakPolarHBondContact O-CB 3.33Å; S331-Q335 PolarHBondContact O-N 3.38Å
332	K	93.3	Very high	91	Very high	60 Å²	60	51.2 Å²	51.2	26%	0.261	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-40.5	176.4	-178.5	179.4	176.6	-171.4	0	111.1	Y318 F319 L328 P329 I330 F336	Y318-K332 WeakPolarHBondContact O-CE 3.28Å; Y318-K332 PolarHBondContact O-NZ 2.93Å; F319-K332 PolarHBondContact O-NZ 3.39Å; L328-K332 HydrophobicContact CD1-CB 4.04Å; L328-K332 HydrophobicContact CD1-CD 3.91Å; L328-K332 HydrophobicContact CD1-CG 4.05Å; P329-K332 HydrophobicContact CG-CB 3.82Å; P329-K332 PolarHBondContact O-N 2.76Å; P329-K332 VanDerWaalsContact O-N 3.14Å; I330-K332 PolarHBondContact O-N 3.03Å; K332-F336 WeakPolarHBondContact O-CB 3.16Å; K332-F336 PolarHBondContact O-N 3.26Å
333	F	92.6	Very high	91.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-68.1	-42.9	176.9	-173	-92.2	0	0	0	112.7	F247 V251 F259 F263 F279 F319 L328 P329 I330 S331 Q335 F336 H337	F247-F333 HydrophobicContact CZ-CE2 4.26Å; V251-F333 HydrophobicContact CG2-CZ 4.32Å; F259-F333 HydrophobicContact CB-CD1 4.35Å; F259-F333 HydrophobicContact CB-CE1 4.07Å; F259-F333 HydrophobicContact CD1-CD1 4.31Å; F259-F333 AromaticContact CD1-CE1 3.36Å; F259-F333 HydrophobicContact CD1-CE1 3.36Å; F259-F333 AromaticContact CD1-CZ 3.87Å; F259-F333 HydrophobicContact CD1-CZ 3.87Å; F259-F333 AromaticContact CD2-CE1 3.9Å; F259-F333 HydrophobicContact CD2-CE1 3.9Å; F259-F333 AromaticContact CE1-CE1 3.64Å; F259-F333 HydrophobicContact CE1-CE1 3.64Å; F259-F333 AromaticContact CE1-CZ 3.71Å; F259-F333 HydrophobicContact CE1-CZ 3.71Å; F259-F333 HydrophobicContact CE2-CE1 4.14Å; F259-F333 HydrophobicContact CG-CD1 4.26Å; F259-F333 AromaticContact CG-CE1 3.51Å; F259-F333 HydrophobicContact CG-CE1 3.51Å; F259-F333 HydrophobicContact CG-CZ 4.4Å; F259-F333 HydrophobicContact CZ-CE1 4.03Å; F259-F333 HydrophobicContact CZ-CZ 4.11Å; F263-F333 HydrophobicContact CE1-CB 4.07Å; F263-F333 HydrophobicContact CE1-CG 4.43Å; F263-F333 HydrophobicContact CE2-CB 4.32Å; F263-F333 AromaticContact CE2-CD1 3.74Å; F263-F333 HydrophobicContact CE2-CD1 3.74Å; F263-F333 HydrophobicContact CE2-CD2 4.4Å; F263-F333 HydrophobicContact CE2-CE1 4.17Å; F263-F333 AromaticContact CE2-CG 3.87Å; F263-F333 HydrophobicContact CE2-CG 3.87Å; F263-F333 HydrophobicContact CZ-CB 3.59Å; F263-F333 AromaticContact CZ-CD1 3.86Å; F263-F333 HydrophobicContact CZ-CD1 3.86Å; F263-F333 AromaticContact CZ-CD2 3.93Å; F263-F333 HydrophobicContact CZ-CD2 3.93Å; F263-F333 AromaticContact CZ-CG 3.48Å; F263-F333 HydrophobicContact CZ-CG 3.48Å; F263-F333 VanDerWaalsContact CZ-CG 3.48Å; F279-F333 AromaticContact CE2-CD2 3.92Å; F279-F333 HydrophobicContact CE2-CD2 3.92Å; F279-F333 AromaticContact CE2-CE2 3.65Å; F279-F333 HydrophobicContact CE2-CE2 3.65Å; F279-F333 HydrophobicContact CE2-CZ 4.49Å; F279-F333 AromaticContact CZ-CE2 3.97Å; F279-F333 HydrophobicContact CZ-CE2 3.97Å; F319-F333 HydrophobicContact CE1-CD2 4.16Å; F319-F333 HydrophobicContact CZ-CD2 4.22Å; L328-F333 HydrophobicContact CD1-CB 4.39Å; L328-F333 HydrophobicContact CD2-CB 4.3Å; L328-F333 HydrophobicContact CD2-CD2 4.05Å; L328-F333 HydrophobicContact CG-CB 4.45Å; P329-F333 PolarHBondContact O-N 2.81Å; I330-F333 PolarHBondContact O-N 2.94Å; S331-F333 VanDerWaalsContact C-N 3.35Å; F333-Q335 VanDerWaalsContact C-N 3.32Å; F333-Q335 PolarHBondContact O-N 3.21Å; F333-F336 HydrophobicContact CD2-CD1 4.38Å; F333-F336 HydrophobicContact CE2-CD1 4.27Å; F333-F336 HydrophobicContact CE2-CE1 4.46Å; F333-F336 WeakPolarHBondContact O-CB 3.28Å; F333-F336 PolarHBondContact O-N 2.91Å; F333-H337 PolarHBondContact O-N 2.9Å
334	L	92.7	Very high	91.6	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-32.9	177.8	-63.4	-177	0	0	0	112.5	R256 F259 E260 I330 S331 S338	R256-L334 HydrophobicContact CG-CD2 3.93Å; F259-L334 HydrophobicContact CB-CD2 4.08Å; E260-L334 HydrophobicContact CG-CD1 3.76Å; E260-L334 HydrophobicContact CG-CD2 4.3Å; I330-L334 HydrophobicContact CD1-CD1 4.35Å; I330-L334 HydrophobicContact CG1-CD1 3.99Å; I330-L334 HydrophobicContact CG1-CG 4.06Å; I330-L334 WeakPolarHBondContact O-CG 3.47Å; I330-L334 PolarHBondContact O-N 3.44Å; S331-L334 PolarHBondContact O-N 3.5Å; L334-S338 PolarHBondContact O-N 2.8Å; L334-S338 VanDerWaalsContact O-N 3.08Å; L334-S338 PolarHBondContact O-OG 2.88Å
335	Q	93.6	Very high	91.9	Very high	111 Å²	111	39.8 Å²	39.8	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-51.7	171	-174.3	61.4	37.8	0	0	110.1	S331 F333 H337 S338 D339	S331-Q335 WeakPolarHBondContact O-CB 3.33Å; S331-Q335 PolarHBondContact O-N 3.38Å; F333-Q335 VanDerWaalsContact C-N 3.32Å; F333-Q335 PolarHBondContact O-N 3.21Å; Q335-H337 VanDerWaalsContact C-N 3.3Å; Q335-H337 PolarHBondContact O-N 2.8Å; Q335-S338 CarbonylContact O-C 3.54Å; Q335-S338 WeakPolarHBondContact O-CA 3.04Å; Q335-S338 WeakPolarHBondContact O-CB 3.3Å; Q335-S338 PolarHBondContact O-N 3.44Å; Q335-D339 PolarHBondContact NE2-OD1 3.09Å; Q335-D339 VanDerWaalsContact O-CG 3.23Å; Q335-D339 PolarHBondContact O-N 3.26Å
336	F	92.7	Very high	92.2	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-53.6	-45.5	175.3	158.1	-100.1	0	0	0	112.8	V230 L234 F247 V251 Y318 F319 K332 F333 S338 D339 L340	V230-F336 HydrophobicContact CG1-CD2 3.86Å; V230-F336 HydrophobicContact CG1-CE2 3.36Å; V230-F336 HydrophobicContact CG1-CZ 4.42Å; L234-F336 HydrophobicContact CD1-CD2 4.32Å; L234-F336 HydrophobicContact CD1-CE2 3.19Å; L234-F336 HydrophobicContact CD1-CZ 3.34Å; L234-F336 HydrophobicContact CD2-CE2 4.22Å; L234-F336 HydrophobicContact CG-CE2 3.81Å; L234-F336 HydrophobicContact CG-CZ 4.38Å; F247-F336 HydrophobicContact CE1-CE1 4.03Å; F247-F336 AromaticContact CE1-CZ 3.96Å; F247-F336 HydrophobicContact CE1-CZ 3.96Å; F247-F336 HydrophobicContact CZ-CE1 4.16Å; V251-F336 HydrophobicContact CG1-CE1 3.83Å; V251-F336 HydrophobicContact CG1-CZ 4.48Å; V251-F336 HydrophobicContact CG2-CE1 4.17Å; Y318-F336 HydrophobicContact CE1-CB 4.49Å; Y318-F336 HydrophobicContact CE1-CD2 4.27Å; F319-F336 HydrophobicContact CE1-CB 4.03Å; F319-F336 HydrophobicContact CE1-CD1 4.3Å; F319-F336 HydrophobicContact CE1-CG 4.09Å; F319-F336 HydrophobicContact CZ-CB 4Å; F319-F336 AromaticContact CZ-CD1 3.57Å; F319-F336 HydrophobicContact CZ-CD1 3.57Å; F319-F336 AromaticContact CZ-CD2 3.96Å; F319-F336 HydrophobicContact CZ-CD2 3.96Å; F319-F336 HydrophobicContact CZ-CE1 4.03Å; F319-F336 HydrophobicContact CZ-CE2 4.4Å; F319-F336 AromaticContact CZ-CG 3.53Å; F319-F336 HydrophobicContact CZ-CG 3.53Å; F319-F336 HydrophobicContact CZ-CZ 4.44Å; K332-F336 WeakPolarHBondContact O-CB 3.16Å; K332-F336 PolarHBondContact O-N 3.26Å; F333-F336 HydrophobicContact CD2-CD1 4.38Å; F333-F336 HydrophobicContact CE2-CD1 4.27Å; F333-F336 HydrophobicContact CE2-CE1 4.46Å; F333-F336 WeakPolarHBondContact O-CB 3.28Å; F333-F336 PolarHBondContact O-N 2.91Å; F336-S338 VanDerWaalsContact C-N 3.26Å; F336-S338 PolarHBondContact O-N 2.95Å; F336-D339 PolarHBondContact O-N 3.45Å; F336-L340 HydrophobicContact CE2-CB 4.48Å; F336-L340 HydrophobicContact CZ-CB 4.5Å; F336-L340 HydrophobicContact CZ-CD2 4.08Å; F336-L340 WeakPolarHBondContact O-CB 3.48Å; F336-L340 PolarHBondContact O-N 3.01Å
337	H	91.8	Very high	92.2	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-59.6	-39.3	176.9	170.3	-81.4	0	0	0	111.5	V251 T254 F259 F333 Q335 Q341	V251-H337 HydrophobicContact CG1-CB 4.31Å; V251-H337 PolarHBondContact O-CD2 2.76Å; V251-H337 PolarHBondContact O-NE2 3.2Å; T254-H337 PolarHBondContact O-NE2 3.41Å; F259-H337 AromaticContact CE2-CD2 3.78Å; F333-H337 PolarHBondContact O-N 2.9Å; Q335-H337 VanDerWaalsContact C-N 3.3Å; Q335-H337 PolarHBondContact O-N 2.8Å; H337-Q341 VanDerWaalsContact CE1-CD 3.49Å; H337-Q341 PolarHBondContact CE1-NE2 3.25Å; H337-Q341 VanDerWaalsContact CE1-NE2 3.26Å; H337-Q341 WeakPolarHBondContact O-CG 3.29Å; H337-Q341 PolarHBondContact O-N 3.26Å
338	S	91.4	Very high	92.3	Very high	22 Å²	22	29.9 Å²	29.9	15%	0.154	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-45.3	177.2	-57.2	0	0	0	0	111.8	L334 Q335 F336 L340 Q341 E342	L334-S338 PolarHBondContact O-N 2.8Å; L334-S338 VanDerWaalsContact O-N 3.08Å; L334-S338 PolarHBondContact O-OG 2.88Å; Q335-S338 CarbonylContact O-C 3.54Å; Q335-S338 WeakPolarHBondContact O-CA 3.04Å; Q335-S338 WeakPolarHBondContact O-CB 3.3Å; Q335-S338 PolarHBondContact O-N 3.44Å; F336-S338 VanDerWaalsContact C-N 3.26Å; F336-S338 PolarHBondContact O-N 2.95Å; S338-L340 VanDerWaalsContact C-N 3.31Å; S338-L340 PolarHBondContact O-N 3.18Å; S338-Q341 PolarHBondContact O-N 2.83Å; S338-E342 PolarHBondContact O-N 3.4Å
339	D	92.7	Very high	92.3	Very high	38 Å²	38	30.4 Å²	30.4	20%	0.203	16%	0.156	C	C	.	.	H	α-helix	trans	-60.6	-41.2	177.3	-60.2	-15.6	0	0	0	110.9	V230 Q335 F336 E342 E343	V230-D339 HydrophobicContact CG2-CB 3.67Å; Q335-D339 PolarHBondContact NE2-OD1 3.09Å; Q335-D339 VanDerWaalsContact O-CG 3.23Å; Q335-D339 PolarHBondContact O-N 3.26Å; F336-D339 PolarHBondContact O-N 3.45Å; D339-E342 PolarHBondContact O-N 2.79Å; D339-E343 VanDerWaalsContact O-CB 3.31Å; D339-E343 WeakPolarHBondContact O-CB 3.46Å; D339-E343 PolarHBondContact O-N 3Å
340	L	92.8	Very high	92.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-42.1	177.3	-179.4	62.7	0	0	0	111.5	V230 F231 L248 V251 L252 F336 S338 E342 E343 I344	V230-L340 HydrophobicContact CG1-CB 4.29Å; V230-L340 HydrophobicContact CG1-CD1 4.03Å; F231-L340 HydrophobicContact CZ-CD1 4.41Å; L248-L340 HydrophobicContact CD2-CD1 3.91Å; L248-L340 HydrophobicContact CD2-CD2 3.77Å; V251-L340 HydrophobicContact CB-CD2 4.16Å; V251-L340 HydrophobicContact CG1-CD2 3.77Å; L252-L340 HydrophobicContact CD2-CD2 4.04Å; L252-L340 HydrophobicContact CD2-CG 3.95Å; L252-L340 HydrophobicContact CG-CD2 3.95Å; L252-L340 HydrophobicContact CG-CG 4.31Å; F336-L340 HydrophobicContact CE2-CB 4.48Å; F336-L340 HydrophobicContact CZ-CB 4.5Å; F336-L340 HydrophobicContact CZ-CD2 4.08Å; F336-L340 WeakPolarHBondContact O-CB 3.48Å; F336-L340 PolarHBondContact O-N 3.01Å; S338-L340 VanDerWaalsContact C-N 3.31Å; S338-L340 PolarHBondContact O-N 3.18Å; L340-E342 VanDerWaalsContact C-N 3.32Å; L340-E342 PolarHBondContact O-N 2.9Å; L340-E343 PolarHBondContact O-N 3.34Å; L340-I344 HydrophobicContact CD1-CG1 4.39Å; L340-I344 VanDerWaalsContact O-CG1 3.25Å; L340-I344 WeakPolarHBondContact O-CG1 3.35Å; L340-I344 PolarHBondContact O-N 2.96Å
341	Q	90.9	Very high	92.2	Very high	27 Å²	27	33.2 Å²	33.2	13%	0.126	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-39.4	176.9	-74.7	-171.1	-20.7	0	0	112.1	L252 H337 S338 M345	L252-Q341 HydrophobicContact CD2-CG 4.16Å; H337-Q341 VanDerWaalsContact CE1-CD 3.49Å; H337-Q341 PolarHBondContact CE1-NE2 3.25Å; H337-Q341 VanDerWaalsContact CE1-NE2 3.26Å; H337-Q341 WeakPolarHBondContact O-CG 3.29Å; H337-Q341 PolarHBondContact O-N 3.26Å; S338-Q341 PolarHBondContact O-N 2.83Å; Q341-M345 WeakPolarHBondContact O-CB 3.46Å; Q341-M345 PolarHBondContact O-N 2.92Å; Q341-M345 VanDerWaalsContact O-N 3.08Å
342	E	90.7	Very high	92.1	Very high	85 Å²	85	30.5 Å²	30.5	40%	0.397	15%	0.145	S	C	.	.	H	α-helix	trans	-67.6	-41.5	176.2	-175.5	171.8	175.3	0	0	111.9	S338 D339 L340 I344 M345 R346	S338-E342 PolarHBondContact O-N 3.4Å; D339-E342 PolarHBondContact O-N 2.79Å; L340-E342 VanDerWaalsContact C-N 3.32Å; L340-E342 PolarHBondContact O-N 2.9Å; E342-I344 PolarHBondContact O-N 3.24Å; E342-M345 HydrophobicContact CG-CE 4Å; E342-M345 WeakPolarHBondContact O-CB 3.05Å; E342-M345 PolarHBondContact O-N 3.19Å; E342-R346 PolarHBondContact O-N 3.46Å
343	E	91.8	Very high	92	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.047	16%	0.16	C	C	.	.	H	α-helix	trans	-60.6	-46.7	176.4	-170.1	74.5	-178	0	0	111.2	S229 V230 F231 D339 L340 M345 R346 L347	S229-E343 WeakPolarHBondContact CB-OE1 3.2Å; S229-E343 VanDerWaalsContact OG-CD 3.31Å; S229-E343 PolarHBondContact OG-OE1 2.91Å; V230-E343 HydrophobicContact CG2-CB 4.38Å; F231-E343 HydrophobicContact CD2-CG 3.93Å; F231-E343 HydrophobicContact CE2-CG 3.56Å; D339-E343 VanDerWaalsContact O-CB 3.31Å; D339-E343 WeakPolarHBondContact O-CB 3.46Å; D339-E343 PolarHBondContact O-N 3Å; L340-E343 PolarHBondContact O-N 3.34Å; E343-M345 VanDerWaalsContact C-N 3.33Å; E343-M345 PolarHBondContact O-N 2.94Å; E343-R346 WeakPolarHBondContact O-CB 3.23Å; E343-R346 PolarHBondContact O-N 3.46Å; E343-R346 IonicContact OE1-CZ 2.91Å; E343-R346 IonicContact OE1-NH1 3.23Å; E343-R346 IonicContact OE1-NH2 3.67Å; E343-R346 PolarHBondContact OE1-NH2 3.04Å; E343-R346 IonicContact OE2-CZ 2.69Å; E343-R346 IonicContact OE2-NH1 3.69Å; E343-R346 PolarHBondContact OE2-NH1 2.94Å; E343-R346 IonicContact OE2-NH2 3.57Å; E343-R346 PolarHBondContact OE2-NH2 2.78Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 2.94Å
344	I	92.3	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.9	-42.5	176.3	-67.7	-65.2	0	0	0	110.9	F183 L184 I187 F231 L252 L340 E342 R346 L347 E348 R484	F183-I344 HydrophobicContact CD1-CD1 3.8Å; F183-I344 HydrophobicContact CE1-CD1 3.67Å; L184-I344 HydrophobicContact CD1-CG2 3.88Å; I187-I344 HydrophobicContact CD1-CG2 4.46Å; F231-I344 HydrophobicContact CZ-CD1 3.92Å; L252-I344 HydrophobicContact CD1-CD1 4.27Å; L252-I344 HydrophobicContact CD1-CG1 4.02Å; L252-I344 HydrophobicContact CD2-CG1 4.11Å; L340-I344 HydrophobicContact CD1-CG1 4.39Å; L340-I344 VanDerWaalsContact O-CG1 3.25Å; L340-I344 WeakPolarHBondContact O-CG1 3.35Å; L340-I344 PolarHBondContact O-N 2.96Å; E342-I344 PolarHBondContact O-N 3.24Å; I344-R346 VanDerWaalsContact C-N 3.33Å; I344-R346 PolarHBondContact O-N 3.29Å; I344-L347 PolarHBondContact O-N 3.14Å; I344-E348 VanDerWaalsContact O-CG 3.31Å; I344-E348 WeakPolarHBondContact O-CG 3.42Å; I344-E348 PolarHBondContact O-N 2.82Å; I344-R484 VanDerWaalsContact CG2-NH2 3.25Å
345	M	91.3	Very high	91.8	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.059	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-39.1	175.1	175.9	-158.6	76.6	0	0	112	Q341 E342 E343 E348 F349 Y402 F405 S409	Q341-M345 WeakPolarHBondContact O-CB 3.46Å; Q341-M345 PolarHBondContact O-N 2.92Å; Q341-M345 VanDerWaalsContact O-N 3.08Å; E342-M345 HydrophobicContact CG-CE 4Å; E342-M345 WeakPolarHBondContact O-CB 3.05Å; E342-M345 PolarHBondContact O-N 3.19Å; E343-M345 VanDerWaalsContact C-N 3.33Å; E343-M345 PolarHBondContact O-N 2.94Å; M345-E348 WeakPolarHBondContact O-CB 3.14Å; M345-E348 PolarHBondContact O-N 3.15Å; M345-F349 PolarHBondContact O-N 3.27Å; M345-Y402 HydrophobicContact CE-CE2 4.06Å; M345-Y402 WeakPolarHBondContact CE-OH 3.08Å; M345-F405 HydrophobicContact CG-CD1 3.74Å; M345-F405 HydrophobicContact CG-CE1 3.49Å; M345-F405 VanDerWaalsContact CG-CE1 3.49Å; M345-F405 HydrophobicContact SD-CD1 4.33Å; M345-S409 WeakPolarHBondContact SD-CB 3.35Å
346	R	92.7	Very high	91.7	Very high	51 Å²	51	43.4 Å²	43.4	19%	0.192	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-46.9	176.1	-166.5	179	75.5	-128.4	-5.6	111.3	E342 E343 I344 E348 F349 E350 Y402	E342-R346 PolarHBondContact O-N 3.46Å; E343-R346 WeakPolarHBondContact O-CB 3.23Å; E343-R346 PolarHBondContact O-N 3.46Å; E343-R346 IonicContact OE1-CZ 2.91Å; E343-R346 IonicContact OE1-NH1 3.23Å; E343-R346 IonicContact OE1-NH2 3.67Å; E343-R346 PolarHBondContact OE1-NH2 3.04Å; E343-R346 IonicContact OE2-CZ 2.69Å; E343-R346 IonicContact OE2-NH1 3.69Å; E343-R346 PolarHBondContact OE2-NH1 2.94Å; E343-R346 IonicContact OE2-NH2 3.57Å; E343-R346 PolarHBondContact OE2-NH2 2.78Å; I344-R346 VanDerWaalsContact C-N 3.33Å; I344-R346 PolarHBondContact O-N 3.29Å; R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 3.31Å; R346-F349 WeakPolarHBondContact O-CB 3.42Å; R346-F349 PolarHBondContact O-N 3.33Å; R346-F349 VanDerWaalsContact O-N 3.09Å; R346-E350 HydrophobicContact CG-CG 4.47Å; R346-E350 WeakPolarHBondContact CG-OE1 3.46Å; R346-E350 IonicContact NE-OE1 2.81Å; R346-E350 PolarHBondContact NE-OE1 2.86Å; R346-E350 WeakPolarHBondContact O-CG 3.47Å; R346-E350 PolarHBondContact O-N 3.15Å; R346-Y402 HydrophobicContact CB-CE2 4.2Å; R346-Y402 HydrophobicContact CG-CE2 3.92Å
347	L	92.2	Very high	91.6	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-38.6	174.9	-68.8	175.7	0	0	0	112	P180 L184 F231 E343 I344 F349 R351	P180-L347 HydrophobicContact CB-CD1 4.12Å; L184-L347 HydrophobicContact CD2-CB 3.57Å; F231-L347 HydrophobicContact CE2-CD1 3.66Å; F231-L347 HydrophobicContact CZ-CD1 4.23Å; E343-L347 WeakPolarHBondContact O-CG 3.49Å; E343-L347 PolarHBondContact O-N 2.94Å; I344-L347 PolarHBondContact O-N 3.14Å; L347-F349 VanDerWaalsContact C-N 3.32Å; L347-F349 PolarHBondContact O-N 3.33Å; L347-R351 VanDerWaalsContact O-CB 3.23Å; L347-R351 WeakPolarHBondContact O-CB 3.25Å; L347-R351 PolarHBondContact O-N 2.86Å
348	E	91.9	Very high	91.6	Very high	28 Å²	28	48.9 Å²	48.9	13%	0.131	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-39.6	173.7	-74.6	172.4	-162.1	0	0	112.1	L184 I344 M345 R346 R484	L184-E348 HydrophobicContact CD1-CG 3.7Å; L184-E348 HydrophobicContact CD2-CG 3.99Å; L184-E348 HydrophobicContact CG-CG 4.45Å; I344-E348 VanDerWaalsContact O-CG 3.31Å; I344-E348 WeakPolarHBondContact O-CG 3.42Å; I344-E348 PolarHBondContact O-N 2.82Å; M345-E348 WeakPolarHBondContact O-CB 3.14Å; M345-E348 PolarHBondContact O-N 3.15Å; R346-E348 VanDerWaalsContact C-N 3.3Å; R346-E348 PolarHBondContact O-N 3.31Å; E348-R484 IonicContact OE1-CZ 3.72Å; E348-R484 IonicContact OE1-NE 2.7Å; E348-R484 PolarHBondContact OE1-NE 3Å; E348-R484 IonicContact OE1-NH2 2.81Å
349	F	93.1	Very high	91.8	Very high	11 Å²	11	48 Å²	48	5%	0.048	24%	0.243	C	C	.	.	H	α-helix	trans	-71	-47.2	177.2	-177	-90.7	0	0	0	112.2	M345 R346 L347 R351 A352 P354 I359 Y402 F405	M345-F349 PolarHBondContact O-N 3.27Å; R346-F349 WeakPolarHBondContact O-CB 3.42Å; R346-F349 PolarHBondContact O-N 3.33Å; R346-F349 VanDerWaalsContact O-N 3.09Å; L347-F349 VanDerWaalsContact C-N 3.32Å; L347-F349 PolarHBondContact O-N 3.33Å; F349-R351 VanDerWaalsContact C-N 3.3Å; F349-R351 PolarHBondContact O-N 3.34Å; F349-A352 VanDerWaalsContact O-CB 3.29Å; F349-A352 WeakPolarHBondContact O-CB 3.49Å; F349-A352 PolarHBondContact O-N 2.95Å; F349-P354 HydrophobicContact CD1-CG 4.17Å; F349-P354 HydrophobicContact CE1-CB 3.77Å; F349-P354 HydrophobicContact CE1-CG 3.72Å; F349-P354 HydrophobicContact CZ-CB 4.04Å; F349-P354 HydrophobicContact CZ-CG 4.48Å; F349-I359 HydrophobicContact CD2-CD1 4.06Å; F349-I359 HydrophobicContact CD2-CG2 4.05Å; F349-I359 HydrophobicContact CE2-CB 4.39Å; F349-I359 HydrophobicContact CE2-CD1 4Å; F349-I359 HydrophobicContact CE2-CG1 3.96Å; F349-I359 HydrophobicContact CE2-CG2 3.67Å; F349-I359 HydrophobicContact CZ-CG2 3.92Å; F349-Y402 HydrophobicContact CB-CD2 4.17Å; F349-Y402 HydrophobicContact CB-CE2 4.41Å; F349-Y402 AromaticContact CD1-CD2 3.74Å; F349-Y402 HydrophobicContact CD1-CD2 3.74Å; F349-Y402 HydrophobicContact CD2-CD2 4.23Å; F349-Y402 HydrophobicContact CE1-CD2 4.15Å; F349-Y402 AromaticContact CG-CD2 3.79Å; F349-Y402 HydrophobicContact CG-CD2 3.79Å; F349-Y402 HydrophobicContact CG-CE2 4.5Å; F349-F405 HydrophobicContact CB-CD1 4.28Å; F349-F405 HydrophobicContact CB-CE1 4.31Å; F349-F405 HydrophobicContact CD2-CB 3.88Å; F349-F405 HydrophobicContact CD2-CD1 4.17Å; F349-F405 HydrophobicContact CD2-CD2 4.07Å; F349-F405 AromaticContact CD2-CG 3.79Å; F349-F405 HydrophobicContact CD2-CG 3.79Å; F349-F405 HydrophobicContact CE2-CB 4.16Å; F349-F405 HydrophobicContact CE2-CG 4.5Å
350	E	92.2	Very high	91.9	Very high	85 Å²	85	48.8 Å²	48.8	40%	0.397	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-39	178.9	-73.1	169.4	-178.7	0	0	111.6	R346 A352 E353 P354	R346-E350 HydrophobicContact CG-CG 4.47Å; R346-E350 WeakPolarHBondContact CG-OE1 3.46Å; R346-E350 IonicContact NE-OE1 2.81Å; R346-E350 PolarHBondContact NE-OE1 2.86Å; R346-E350 WeakPolarHBondContact O-CG 3.47Å; R346-E350 PolarHBondContact O-N 3.15Å; E350-A352 PolarHBondContact O-N 3.09Å; E350-E353 WeakPolarHBondContact O-CA 3.26Å; E350-E353 PolarHBondContact O-N 3.22Å; E350-P354 WeakPolarHBondContact O-CD 3.4Å
351	R	90.4	Very high	91.9	Very high	49 Å²	49	49.1 Å²	49.1	19%	0.185	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.3	174.8	-174.9	-177.9	-68	169.2	-7.6	113.5	E181 L184 T188 L347 F349 E353	E181-R351 PolarHBondContact O-NH2 3.36Å; E181-R351 IonicContact OE1-CZ 3.86Å; E181-R351 IonicContact OE1-NE 3.26Å; E181-R351 PolarHBondContact OE1-NE 2.96Å; E181-R351 IonicContact OE1-NH2 3.4Å; E181-R351 PolarHBondContact OE1-NH2 3.07Å; E181-R351 IonicContact OE2-CZ 3.14Å; E181-R351 IonicContact OE2-NE 4Å; E181-R351 PolarHBondContact OE2-NE 3.1Å; E181-R351 VanDerWaalsContact OE2-NE 3.13Å; E181-R351 IonicContact OE2-NH2 2.71Å; E181-R351 PolarHBondContact OE2-NH2 3.42Å; L184-R351 VanDerWaalsContact CD2-NH2 3.28Å; L184-R351 VanDerWaalsContact CG-CZ 3.42Å; L184-R351 VanDerWaalsContact CG-NH1 3.27Å; T188-R351 PolarHBondContact OG1-NH1 3.43Å; L347-R351 VanDerWaalsContact O-CB 3.23Å; L347-R351 WeakPolarHBondContact O-CB 3.25Å; L347-R351 PolarHBondContact O-N 2.86Å; F349-R351 VanDerWaalsContact C-N 3.3Å; F349-R351 PolarHBondContact O-N 3.34Å; R351-E353 PolarHBondContact O-N 2.89Å
352	A	90.4	Very high	92.1	Very high	21 Å²	21	48.9 Å²	48.9	17%	0.174	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.4	173.3	0	0	0	0	0	112.6	F349 E350 I359 Q363	F349-A352 VanDerWaalsContact O-CB 3.29Å; F349-A352 WeakPolarHBondContact O-CB 3.49Å; F349-A352 PolarHBondContact O-N 2.95Å; E350-A352 PolarHBondContact O-N 3.09Å; A352-I359 HydrophobicContact CB-CB 4.49Å; A352-I359 HydrophobicContact CB-CG2 3.69Å; A352-Q363 PolarHBondContact O-NE2 3.16Å
353	E	91.5	Very high	92.2	Very high	123 Å²	123	47.7 Å²	47.7	58%	0.575	25%	0.246	S	C	*	.			trans	56	62.5	178.9	-60.6	163.1	150.5	0	0	110.6	K133 E350 R351 K355	K133-E353 WeakPolarHBondContact CE-OE2 3.42Å; K133-E353 IonicContact NZ-OE2 3.56Å; K133-E353 PolarHBondContact NZ-OE2 2.65Å; E350-E353 WeakPolarHBondContact O-CA 3.26Å; E350-E353 PolarHBondContact O-N 3.22Å; R351-E353 PolarHBondContact O-N 2.89Å; E353-K355 PolarHBondContact O-N 3Å
354	P	92	Very high	92.3	Very high	43 Å²	43	47.3 Å²	47.3	28%	0.279	24%	0.244	S	C	.	.			trans	-60.7	132.3	-176	25.8	-34.3	0	0	0	111.1	F349 E350 K358 I359	F349-P354 HydrophobicContact CD1-CG 4.17Å; F349-P354 HydrophobicContact CE1-CB 3.77Å; F349-P354 HydrophobicContact CE1-CG 3.72Å; F349-P354 HydrophobicContact CZ-CB 4.04Å; F349-P354 HydrophobicContact CZ-CG 4.48Å; E350-P354 WeakPolarHBondContact O-CD 3.4Å; P354-K358 CarbonylContact C-O 3.49Å; P354-K358 VanDerWaalsContact CA-O 3.23Å; P354-K358 WeakPolarHBondContact CA-O 3.23Å; P354-I359 HydrophobicContact CB-CG2 3.89Å
355	K	90.4	Very high	92.4	Very high	123 Å²	123	47.3 Å²	47.3	54%	0.535	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-95.1	127	174.7	-64.7	-178.7	-178	176.5	0	108.8	E353 G357 K358	E353-K355 PolarHBondContact O-N 3Å; K355-G357 PolarHBondContact O-N 3.39Å; K355-K358 PolarHBondContact N-O 2.9Å; K355-K358 PolarHBondContact O-N 3.44Å
356	N	89.8	Confident	92.4	Very high	168 Å²	168	49.5 Å²	49.5	90%	0.898	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	36.2	-174.6	-56.7	-22.4	0	0	0	112.7	K358	N356-K358 VanDerWaalsContact C-N 3.28Å; N356-K358 PolarHBondContact O-N 3.07Å
357	G	90.7	Very high	92.3	Very high	44 Å²	44	48.2 Å²	48.2	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	10.7	-178.8	0	0	0	0	0	115.4	K355	K355-G357 PolarHBondContact O-N 3.39Å
358	K	93.5	Very high	92.3	Very high	78 Å²	78	47.9 Å²	47.9	34%	0.339	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.9	179.9	-61.1	-175.1	177.7	-177.4	0	112.4	P354 K355 N356 I398 I400 T401	P354-K358 CarbonylContact C-O 3.49Å; P354-K358 VanDerWaalsContact CA-O 3.23Å; P354-K358 WeakPolarHBondContact CA-O 3.23Å; K355-K358 PolarHBondContact N-O 2.9Å; K355-K358 PolarHBondContact O-N 3.44Å; N356-K358 VanDerWaalsContact C-N 3.28Å; N356-K358 PolarHBondContact O-N 3.07Å; K358-I398 VanDerWaalsContact CD-O 3.25Å; K358-I398 WeakPolarHBondContact CD-O 3.39Å; K358-I398 PolarHBondContact NZ-O 3.27Å; K358-I400 WeakPolarHBondContact CA-O 3.4Å; K358-T401 HydrophobicContact CG-CG2 4.22Å
359	I	94.4	Very high	92.3	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	153.8	168.5	65.1	175.6	0	0	0	109.9	F349 A352 P354 Q363 F364 G399 I400 F405	F349-I359 HydrophobicContact CD2-CD1 4.06Å; F349-I359 HydrophobicContact CD2-CG2 4.05Å; F349-I359 HydrophobicContact CE2-CB 4.39Å; F349-I359 HydrophobicContact CE2-CD1 4Å; F349-I359 HydrophobicContact CE2-CG1 3.96Å; F349-I359 HydrophobicContact CE2-CG2 3.67Å; F349-I359 HydrophobicContact CZ-CG2 3.92Å; A352-I359 HydrophobicContact CB-CB 4.49Å; A352-I359 HydrophobicContact CB-CG2 3.69Å; P354-I359 HydrophobicContact CB-CG2 3.89Å; I359-Q363 HydrophobicContact CB-CB 4.24Å; I359-F364 HydrophobicContact CD1-CB 3.89Å; I359-F364 HydrophobicContact CD1-CD2 4.37Å; I359-F364 HydrophobicContact CG1-CB 4.45Å; I359-G399 WeakPolarHBondContact O-CA 3.18Å; I359-I400 HydrophobicContact CG1-CB 3.96Å; I359-I400 HydrophobicContact CG1-CG2 4.35Å; I359-I400 PolarHBondContact N-O 2.81Å; I359-I400 PolarHBondContact O-N 2.74Å; I359-F405 HydrophobicContact CD1-CD2 3.9Å; I359-F405 HydrophobicContact CD1-CE2 4.21Å
360	T	94.4	Very high	92.1	Very high	56 Å²	56	48.2 Å²	48.2	34%	0.344	26%	0.257	S	S	.	.			trans	-69.8	154.5	172.8	61.4	0	0	0	0	111.2	V362 Q363 F364	T360-V362 PolarHBondContact O-N 3.02Å; T360-Q363 WeakPolarHBondContact O-CB 3.47Å; T360-Q363 PolarHBondContact O-N 3.25Å; T360-Q363 WeakPolarHBondContact OG1-CB 3.38Å; T360-Q363 VanDerWaalsContact OG1-CD 3.26Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.33Å; T360-Q363 PolarHBondContact OG1-N 3.05Å; T360-Q363 PolarHBondContact OG1-OE1 3.15Å; T360-F364 PolarHBondContact O-N 3.22Å
361	E	94.4	Very high	91.8	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.028	24%	0.241	C	C	.	.	H	α-helix	trans	-57.6	-35	175.8	-65.9	73.5	-164.3	0	0	110.8	F364 A365 V386 F390 I398 G399 I400 H452 V456	E361-F364 PolarHBondContact O-N 2.98Å; E361-A365 VanDerWaalsContact O-CB 3.25Å; E361-A365 WeakPolarHBondContact O-CB 3.45Å; E361-A365 PolarHBondContact O-N 2.9Å; E361-V386 HydrophobicContact CB-CG1 3.92Å; E361-F390 HydrophobicContact CB-CB 4.19Å; E361-F390 HydrophobicContact CB-CD2 4.32Å; E361-F390 HydrophobicContact CB-CG 4.3Å; E361-F390 HydrophobicContact CG-CB 4.11Å; E361-F390 HydrophobicContact CG-CD1 4.31Å; E361-F390 HydrophobicContact CG-CD2 4.31Å; E361-F390 HydrophobicContact CG-CG 3.99Å; E361-I398 PolarHBondContact OE1-N 2.7Å; E361-G399 WeakPolarHBondContact OE1-CA 3.23Å; E361-G399 PolarHBondContact OE1-N 3.21Å; E361-I400 HydrophobicContact CG-CD1 4.47Å; E361-H452 IonicContact OE1-CD2 2.97Å; E361-H452 IonicContact OE1-CE1 2.65Å; E361-H452 IonicContact OE1-NE2 3.67Å; E361-H452 PolarHBondContact OE1-NE2 3.08Å; E361-V456 HydrophobicContact CB-CG1 4.19Å; E361-V456 HydrophobicContact CB-CG2 4.06Å; E361-V456 HydrophobicContact CG-CG2 3.56Å
362	V	93.8	Very high	91.5	Very high	23 Å²	23	42.8 Å²	42.8	14%	0.139	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-41.8	174.6	178.1	0	0	0	0	111.7	T360 N366 I383 V386 K387	T360-V362 PolarHBondContact O-N 3.02Å; V362-N366 WeakPolarHBondContact O-CB 3.35Å; V362-N366 PolarHBondContact O-N 2.84Å; V362-N366 PolarHBondContact O-ND2 2.52Å; V362-I383 HydrophobicContact CG1-CG2 3.98Å; V362-V386 HydrophobicContact CG2-CG1 4.34Å; V362-K387 HydrophobicContact CG1-CG 4.47Å; V362-K387 HydrophobicContact CG2-CG 3.49Å; V362-K387 VanDerWaalsContact CG2-CG 3.49Å
363	Q	93.7	Very high	91.1	Very high	60 Å²	60	44.7 Å²	44.7	28%	0.28	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-44	176.3	-76.7	163.5	-43.1	0	0	110.9	A352 I359 T360 N366 S367	A352-Q363 PolarHBondContact O-NE2 3.16Å; I359-Q363 HydrophobicContact CB-CB 4.24Å; T360-Q363 WeakPolarHBondContact O-CB 3.47Å; T360-Q363 PolarHBondContact O-N 3.25Å; T360-Q363 WeakPolarHBondContact OG1-CB 3.38Å; T360-Q363 VanDerWaalsContact OG1-CD 3.26Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.33Å; T360-Q363 PolarHBondContact OG1-N 3.05Å; T360-Q363 PolarHBondContact OG1-OE1 3.15Å; Q363-N366 PolarHBondContact O-N 3Å; Q363-S367 PolarHBondContact O-N 3.42Å
364	F	94.3	Very high	90.8	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-50.2	173.9	178.5	-116.4	0	0	0	111.8	I359 T360 E361 N366 S367 L368 I400 F405 F408 V453 V456 V457	I359-F364 HydrophobicContact CD1-CB 3.89Å; I359-F364 HydrophobicContact CD1-CD2 4.37Å; I359-F364 HydrophobicContact CG1-CB 4.45Å; T360-F364 PolarHBondContact O-N 3.22Å; E361-F364 PolarHBondContact O-N 2.98Å; F364-N366 VanDerWaalsContact C-N 3.31Å; F364-N366 PolarHBondContact O-N 3.2Å; F364-S367 WeakPolarHBondContact O-CA 3.24Å; F364-S367 WeakPolarHBondContact O-CB 3.42Å; F364-S367 PolarHBondContact O-N 2.8Å; F364-S367 PolarHBondContact O-OG 3.19Å; F364-L368 HydrophobicContact CD1-CD1 4.28Å; F364-L368 HydrophobicContact CE1-CD1 3.75Å; F364-L368 HydrophobicContact CE1-CG 4.4Å; F364-L368 HydrophobicContact CE2-CD1 4.48Å; F364-L368 HydrophobicContact CE2-CD2 4.19Å; F364-L368 HydrophobicContact CE2-CG 4.38Å; F364-L368 HydrophobicContact CZ-CD1 3.87Å; F364-L368 HydrophobicContact CZ-CD2 4.22Å; F364-L368 HydrophobicContact CZ-CG 4.24Å; F364-L368 PolarHBondContact O-N 3.21Å; F364-L368 VanDerWaalsContact O-N 3.08Å; F364-I400 HydrophobicContact CB-CD1 3.39Å; F364-I400 HydrophobicContact CD1-CD1 3.26Å; F364-I400 HydrophobicContact CD2-CD1 4.17Å; F364-I400 HydrophobicContact CD2-CG2 4.36Å; F364-I400 HydrophobicContact CE1-CD1 4Å; F364-I400 HydrophobicContact CG-CD1 3.34Å; F364-F405 AromaticContact CD2-CD2 3.59Å; F364-F405 HydrophobicContact CD2-CD2 3.59Å; F364-F405 AromaticContact CD2-CE2 3.87Å; F364-F405 HydrophobicContact CD2-CE2 3.87Å; F364-F405 AromaticContact CE2-CD2 3.81Å; F364-F405 HydrophobicContact CE2-CD2 3.81Å; F364-F405 HydrophobicContact CE2-CE2 4.2Å; F364-F408 HydrophobicContact CE2-CD1 4.36Å; F364-F408 HydrophobicContact CZ-CB 4.42Å; F364-F408 AromaticContact CZ-CD1 3.89Å; F364-F408 HydrophobicContact CZ-CD1 3.89Å; F364-F408 HydrophobicContact CZ-CE1 4.36Å; F364-F408 HydrophobicContact CZ-CG 4.09Å; F364-V453 HydrophobicContact CE1-CG1 4.23Å; F364-V453 HydrophobicContact CZ-CG1 4.11Å; F364-V456 HydrophobicContact CD1-CG1 3.86Å; F364-V456 HydrophobicContact CE1-CG1 4.37Å; F364-V457 HydrophobicContact CE1-CG2 4.07Å
365	A	93.7	Very high	90.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-41.8	177.6	0	0	0	0	0	112.5	E361 S367 L368 L369 I383 V386 L460	E361-A365 VanDerWaalsContact O-CB 3.25Å; E361-A365 WeakPolarHBondContact O-CB 3.45Å; E361-A365 PolarHBondContact O-N 2.9Å; A365-S367 PolarHBondContact O-N 3.4Å; A365-L368 PolarHBondContact O-N 3.45Å; A365-L369 WeakPolarHBondContact O-CG 3.3Å; A365-L369 PolarHBondContact O-N 2.97Å; A365-I383 HydrophobicContact CB-CD1 3.71Å; A365-V386 HydrophobicContact CB-CG1 4.36Å; A365-V386 HydrophobicContact CB-CG2 4.12Å; A365-L460 HydrophobicContact CB-CD1 3.84Å; A365-L460 HydrophobicContact CB-CD2 3.91Å; A365-L460 HydrophobicContact CB-CG 4.46Å
366	N	92	Very high	90.3	Very high	59 Å²	59	41.9 Å²	41.9	32%	0.316	25%	0.249	S	C	.	.	H	α-helix	trans	-60.5	-45.9	173.5	-78.7	-58.4	0	0	0	111.1	V362 Q363 F364 L368 L369 V370 I383	V362-N366 WeakPolarHBondContact O-CB 3.35Å; V362-N366 PolarHBondContact O-N 2.84Å; V362-N366 PolarHBondContact O-ND2 2.52Å; Q363-N366 PolarHBondContact O-N 3Å; F364-N366 VanDerWaalsContact C-N 3.31Å; F364-N366 PolarHBondContact O-N 3.2Å; N366-L368 PolarHBondContact O-N 2.73Å; N366-L369 PolarHBondContact O-N 2.93Å; N366-V370 WeakPolarHBondContact O-CG2 3.26Å; N366-V370 PolarHBondContact O-N 3.44Å; N366-I383 WeakPolarHBondContact OD1-CD1 3.28Å
367	S	90.7	Very high	90.2	Very high	24 Å²	24	38.8 Å²	38.8	17%	0.168	23%	0.233	C	C	.	.	H	α-helix	trans	-57.6	-33.5	178.4	83.8	0	0	0	0	113.1	Q363 F364 A365 F405 R481	Q363-S367 PolarHBondContact O-N 3.42Å; F364-S367 WeakPolarHBondContact O-CA 3.24Å; F364-S367 WeakPolarHBondContact O-CB 3.42Å; F364-S367 PolarHBondContact O-N 2.8Å; F364-S367 PolarHBondContact O-OG 3.19Å; A365-S367 PolarHBondContact O-N 3.4Å; S367-F405 WeakPolarHBondContact OG-CE2 3.49Å; S367-R481 PolarHBondContact O-NE 3.47Å
368	L	90.8	Very high	90.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-72.3	-36.2	176.9	-63.1	-174.2	0	0	0	112.4	F364 A365 N366 F408 V457 L460 F461 M478	F364-L368 HydrophobicContact CD1-CD1 4.28Å; F364-L368 HydrophobicContact CE1-CD1 3.75Å; F364-L368 HydrophobicContact CE1-CG 4.4Å; F364-L368 HydrophobicContact CE2-CD1 4.48Å; F364-L368 HydrophobicContact CE2-CD2 4.19Å; F364-L368 HydrophobicContact CE2-CG 4.38Å; F364-L368 HydrophobicContact CZ-CD1 3.87Å; F364-L368 HydrophobicContact CZ-CD2 4.22Å; F364-L368 HydrophobicContact CZ-CG 4.24Å; F364-L368 PolarHBondContact O-N 3.21Å; F364-L368 VanDerWaalsContact O-N 3.08Å; A365-L368 PolarHBondContact O-N 3.45Å; N366-L368 PolarHBondContact O-N 2.73Å; L368-F408 HydrophobicContact CD1-CE1 3.97Å; L368-F408 HydrophobicContact CD1-CZ 4.45Å; L368-F408 HydrophobicContact CD2-CD1 3.94Å; L368-F408 HydrophobicContact CD2-CE1 3.6Å; L368-F408 HydrophobicContact CG-CE1 4.46Å; L368-V457 HydrophobicContact CD1-CG2 4.3Å; L368-L460 HydrophobicContact CB-CD2 4.21Å; L368-L460 HydrophobicContact CD1-CD2 4.01Å; L368-F461 HydrophobicContact CD1-CE2 4.43Å; L368-M478 HydrophobicContact CD1-CE 4.42Å
369	L	91.5	Very high	90	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-89.2	-12.4	-174	-63.8	-173.4	0	0	0	114.7	A365 N366 Y371 A372 F374 R379 M382 I383 L460 F461 V477	A365-L369 WeakPolarHBondContact O-CG 3.3Å; A365-L369 PolarHBondContact O-N 2.97Å; N366-L369 PolarHBondContact O-N 2.93Å; L369-Y371 VanDerWaalsContact C-N 3.28Å; L369-Y371 PolarHBondContact O-N 3.04Å; L369-A372 WeakPolarHBondContact O-CB 3.22Å; L369-A372 PolarHBondContact O-N 2.79Å; L369-A372 VanDerWaalsContact O-N 3.13Å; L369-F374 HydrophobicContact CD2-CD2 4.07Å; L369-F374 HydrophobicContact CD2-CE2 3.82Å; L369-R379 HydrophobicContact CD1-CG 4.21Å; L369-M382 HydrophobicContact CD1-CB 4.02Å; L369-M382 HydrophobicContact CD1-CE 4.2Å; L369-M382 HydrophobicContact CD1-SD 4.02Å; L369-M382 HydrophobicContact CD2-CE 3.78Å; L369-M382 HydrophobicContact CD2-SD 4.24Å; L369-I383 HydrophobicContact CD1-CD1 4.18Å; L369-I383 HydrophobicContact CD1-CG1 4.42Å; L369-L460 HydrophobicContact CD1-CD1 3.9Å; L369-L460 HydrophobicContact CD2-CD2 4.29Å; L369-L460 HydrophobicContact CG-CD1 4.4Å; L369-L460 HydrophobicContact CG-CD2 4.21Å; L369-F461 HydrophobicContact CD2-CE1 4Å; L369-F461 HydrophobicContact CD2-CZ 4Å; L369-V477 HydrophobicContact CD2-CG1 4.32Å
370	V	89.7	Confident	89.9	Confident	41 Å²	41	44.7 Å²	44.7	25%	0.248	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-45.8	-175.6	158.7	0	0	0	0	112.3	T188 P189 N366	T188-V370 HydrophobicContact CG2-CG1 3.79Å; P189-V370 HydrophobicContact CG-CG1 3.61Å; P189-V370 VanDerWaalsContact CG-O 3.23Å; P189-V370 WeakPolarHBondContact CG-O 3.28Å; N366-V370 WeakPolarHBondContact O-CG2 3.26Å; N366-V370 PolarHBondContact O-N 3.44Å
371	Y	85.9	Confident	89.8	Confident	12 Å²	12	49 Å²	49	5%	0.047	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.2	-175.7	-58.4	-75	0	0	0	114.4	I187 T188 P189 L369 G373 R481 R484	I187-Y371 WeakPolarHBondContact O-CE1 3.35Å; T188-Y371 PolarHBondContact OG1-OH 3.23Å; P189-Y371 VanDerWaalsContact CD-CE1 3.41Å; P189-Y371 HydrophobicContact CG-CD1 4.16Å; P189-Y371 HydrophobicContact CG-CE1 4.31Å; L369-Y371 VanDerWaalsContact C-N 3.28Å; L369-Y371 PolarHBondContact O-N 3.04Å; Y371-G373 PolarHBondContact O-N 3.13Å; Y371-G373 VanDerWaalsContact O-N 3.14Å; Y371-R481 HydrophobicContact CD2-CG 4.36Å; Y371-R484 HydrophobicContact CD1-CB 4.05Å; Y371-R484 WeakPolarHBondContact CD1-O 3.48Å; Y371-R484 HydrophobicContact CE1-CB 3.73Å; Y371-R484 HydrophobicContact CE1-CG 4.31Å; Y371-R484 WeakPolarHBondContact CE1-O 3.47Å; Y371-R484 HydrophobicContact CE2-CB 4.4Å; Y371-R484 HydrophobicContact CE2-CG 4.14Å; Y371-R484 HydrophobicContact CG-CB 4.49Å
372	A	84.4	Confident	89.7	Confident	9 Å²	9	48.9 Å²	48.9	7%	0.074	25%	0.254	C	S	.	.	S	Bend	trans	-63.8	-22.6	-174	0	0	0	0	0	113.6	L369 F374 V477	L369-A372 WeakPolarHBondContact O-CB 3.22Å; L369-A372 PolarHBondContact O-N 2.79Å; L369-A372 VanDerWaalsContact O-N 3.13Å; A372-F374 HydrophobicContact CB-CD1 4.44Å; A372-F374 HydrophobicContact CB-CD2 3.61Å; A372-F374 HydrophobicContact CB-CE2 3.77Å; A372-F374 HydrophobicContact CB-CG 4Å; A372-F374 HydrophobicContact CB-CZ 4.28Å; A372-F374 PolarHBondContact O-N 3.48Å; A372-V477 HydrophobicContact CB-CG1 3.9Å; A372-V477 HydrophobicContact CB-CG2 4.15Å
373	G	81.1	Confident	89.6	Confident	61 Å²	61	48.5 Å²	48.5	63%	0.629	25%	0.251	S	S	*	.			trans	70.1	18.8	-177.4	0	0	0	0	0	114.1	Y371	Y371-G373 PolarHBondContact O-N 3.13Å; Y371-G373 VanDerWaalsContact O-N 3.14Å
374	F	84.8	Confident	89.6	Confident	59 Å²	59	53.1 Å²	53.1	26%	0.259	27%	0.266	S	S	.	.			trans	-66	151.9	176.8	-68	-35.4	0	0	0	112.9	L369 A372 K378 M382 V477	L369-F374 HydrophobicContact CD2-CD2 4.07Å; L369-F374 HydrophobicContact CD2-CE2 3.82Å; A372-F374 HydrophobicContact CB-CD1 4.44Å; A372-F374 HydrophobicContact CB-CD2 3.61Å; A372-F374 HydrophobicContact CB-CE2 3.77Å; A372-F374 HydrophobicContact CB-CG 4Å; A372-F374 HydrophobicContact CB-CZ 4.28Å; A372-F374 PolarHBondContact O-N 3.48Å; F374-K378 HydrophobicContact CB-CB 4.46Å; F374-K378 HydrophobicContact CD1-CD 4.15Å; F374-K378 HydrophobicContact CE1-CD 4.35Å; F374-K378 HydrophobicContact CG-CD 4.38Å; F374-K378 HydrophobicContact CG-CG 4.46Å; F374-M382 HydrophobicContact CD2-SD 3.86Å; F374-M382 HydrophobicContact CE2-CE 4.01Å; F374-M382 HydrophobicContact CE2-SD 3.7Å; F374-V477 HydrophobicContact CE1-CG2 4.03Å; F374-V477 HydrophobicContact CE2-CG2 3.57Å; F374-V477 HydrophobicContact CZ-CG2 3.14Å
375	S	86.5	Confident	89.5	Confident	74 Å²	74	55.5 Å²	55.5	52%	0.517	28%	0.275	S	S	.	.			trans	-60.6	148.9	169.7	72.5	0	0	0	0	110.3	N377 K378 R379	S375-N377 PolarHBondContact O-N 3.38Å; S375-N377 VanDerWaalsContact O-N 3.13Å; S375-K378 PolarHBondContact O-N 3.49Å; S375-K378 VanDerWaalsContact O-N 3.11Å; S375-K378 PolarHBondContact OG-N 2.62Å; S375-R379 PolarHBondContact O-N 2.86Å
376	E	85.5	Confident	89.5	Confident	96 Å²	96	55.5 Å²	55.5	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-33.7	179.6	-64.6	-164.7	163.5	0	0	112.4	R380	E376-R380 VanDerWaalsContact O-CB 3.32Å; E376-R380 WeakPolarHBondContact O-CB 3.41Å; E376-R380 VanDerWaalsContact O-CG 3.23Å; E376-R380 WeakPolarHBondContact O-CG 3.32Å; E376-R380 PolarHBondContact O-N 3.36Å; E376-R380 IonicContact OE2-CZ 2.65Å; E376-R380 IonicContact OE2-NH2 3.21Å; E376-R380 PolarHBondContact OE2-NH2 3.11Å
377	N	88.6	Confident	89.5	Confident	103 Å²	103	58.3 Å²	58.3	55%	0.551	28%	0.284	S	S	*	.	H	α-helix	trans	-67.8	-45.1	178.4	-68.3	-18	0	0	0	111.7	S375 R380 K381	S375-N377 PolarHBondContact O-N 3.38Å; S375-N377 VanDerWaalsContact O-N 3.13Å; N377-R380 PolarHBondContact O-N 2.83Å; N377-K381 WeakPolarHBondContact O-CG 3.5Å; N377-K381 PolarHBondContact O-N 2.98Å
378	K	89.9	Confident	89.6	Confident	54 Å²	54	62.6 Å²	62.6	24%	0.235	31%	0.31	C	S	.	.	H	α-helix	trans	-63	-47.9	175.8	-178.2	162.8	179.5	152.9	0	110.2	F374 S375 R380 K381 M382 E463 E473	F374-K378 HydrophobicContact CB-CB 4.46Å; F374-K378 HydrophobicContact CD1-CD 4.15Å; F374-K378 HydrophobicContact CE1-CD 4.35Å; F374-K378 HydrophobicContact CG-CD 4.38Å; F374-K378 HydrophobicContact CG-CG 4.46Å; S375-K378 PolarHBondContact O-N 3.49Å; S375-K378 VanDerWaalsContact O-N 3.11Å; S375-K378 PolarHBondContact OG-N 2.62Å; K378-R380 PolarHBondContact O-N 3.13Å; K378-K381 PolarHBondContact O-N 3.41Å; K378-M382 HydrophobicContact CG-SD 4.1Å; K378-M382 WeakPolarHBondContact O-CG 2.99Å; K378-M382 PolarHBondContact O-N 3.38Å; K378-E463 WeakPolarHBondContact CE-OE1 3.39Å; K378-E463 IonicContact NZ-OE1 3.15Å; K378-E463 PolarHBondContact NZ-OE1 2.96Å; K378-E473 IonicContact NZ-OE1 3.59Å; K378-E473 PolarHBondContact NZ-OE1 3.29Å
379	R	89.8	Confident	89.6	Confident	86 Å²	86	66 Å²	66	33%	0.325	33%	0.325	S	S	.	.	H	α-helix	trans	-56.4	-47.3	175.6	-175.7	178.8	63.8	-165	-2.2	112.4	L369 S375 K381 M382 I383	L369-R379 HydrophobicContact CD1-CG 4.21Å; S375-R379 PolarHBondContact O-N 2.86Å; R379-K381 PolarHBondContact O-N 2.97Å; R379-M382 PolarHBondContact O-N 3.42Å; R379-I383 HydrophobicContact CG-CG1 4.42Å; R379-I383 WeakPolarHBondContact O-CG1 3.19Å; R379-I383 PolarHBondContact O-N 3.37Å
380	R	91.5	Very high	89.6	Confident	110 Å²	110	66.1 Å²	66.1	42%	0.415	33%	0.325	S	S	.	.	H	α-helix	trans	-60.9	-41.3	178.4	-78.5	-178.1	-122.7	156.9	-0.6	112.1	E376 N377 K378 R384	E376-R380 VanDerWaalsContact O-CB 3.32Å; E376-R380 WeakPolarHBondContact O-CB 3.41Å; E376-R380 VanDerWaalsContact O-CG 3.23Å; E376-R380 WeakPolarHBondContact O-CG 3.32Å; E376-R380 PolarHBondContact O-N 3.36Å; E376-R380 IonicContact OE2-CZ 2.65Å; E376-R380 IonicContact OE2-NH2 3.21Å; E376-R380 PolarHBondContact OE2-NH2 3.11Å; N377-R380 PolarHBondContact O-N 2.83Å; K378-R380 PolarHBondContact O-N 3.13Å; R380-R384 WeakPolarHBondContact O-CB 3.37Å; R380-R384 VanDerWaalsContact O-CG 3.25Å; R380-R384 WeakPolarHBondContact O-CG 3.37Å; R380-R384 PolarHBondContact O-N 3.45Å
381	K	92.4	Very high	89.6	Confident	145 Å²	145	66.9 Å²	66.9	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-62.2	-47.5	175.9	-73	180	179.4	-172.3	0	111.6	N377 K378 R379 I383 R384 R385	N377-K381 WeakPolarHBondContact O-CG 3.5Å; N377-K381 PolarHBondContact O-N 2.98Å; K378-K381 PolarHBondContact O-N 3.41Å; R379-K381 PolarHBondContact O-N 2.97Å; K381-I383 PolarHBondContact O-N 3.14Å; K381-R384 WeakPolarHBondContact O-CB 3.41Å; K381-R384 PolarHBondContact O-N 3.17Å; K381-R385 PolarHBondContact O-N 3.1Å
382	M	92	Very high	89.2	Confident	5 Å²	5	72.9 Å²	72.9	3%	0.025	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-47.5	178.9	-65.8	175.7	80.5	0	0	111.8	L369 F374 K378 R379 R384 R385 V386 L460 F461	L369-M382 HydrophobicContact CD1-CB 4.02Å; L369-M382 HydrophobicContact CD1-CE 4.2Å; L369-M382 HydrophobicContact CD1-SD 4.02Å; L369-M382 HydrophobicContact CD2-CE 3.78Å; L369-M382 HydrophobicContact CD2-SD 4.24Å; F374-M382 HydrophobicContact CD2-SD 3.86Å; F374-M382 HydrophobicContact CE2-CE 4.01Å; F374-M382 HydrophobicContact CE2-SD 3.7Å; K378-M382 HydrophobicContact CG-SD 4.1Å; K378-M382 WeakPolarHBondContact O-CG 2.99Å; K378-M382 PolarHBondContact O-N 3.38Å; R379-M382 PolarHBondContact O-N 3.42Å; M382-R384 VanDerWaalsContact C-N 3.34Å; M382-R384 PolarHBondContact O-N 3.3Å; M382-R385 PolarHBondContact O-N 3.17Å; M382-V386 PolarHBondContact O-N 3.08Å; M382-L460 HydrophobicContact CB-CD1 4Å; M382-L460 HydrophobicContact CE-CD1 4.36Å; M382-L460 HydrophobicContact CE-CG 4.22Å; M382-L460 WeakPolarHBondContact CE-O 3.46Å; M382-F461 HydrophobicContact CE-CD1 3.81Å; M382-F461 HydrophobicContact CE-CE1 3.87Å
383	I	93.2	Very high	88.9	Confident	14 Å²	14	80 Å²	80	7%	0.072	40%	0.399	C	S	.	.	H	α-helix	trans	-65.4	-35	178.2	-65	-61.5	0	0	0	112.3	V362 A365 N366 L369 R379 K381 R385 V386 K387	V362-I383 HydrophobicContact CG1-CG2 3.98Å; A365-I383 HydrophobicContact CB-CD1 3.71Å; N366-I383 WeakPolarHBondContact OD1-CD1 3.28Å; L369-I383 HydrophobicContact CD1-CD1 4.18Å; L369-I383 HydrophobicContact CD1-CG1 4.42Å; R379-I383 HydrophobicContact CG-CG1 4.42Å; R379-I383 WeakPolarHBondContact O-CG1 3.19Å; R379-I383 PolarHBondContact O-N 3.37Å; K381-I383 PolarHBondContact O-N 3.14Å; I383-R385 VanDerWaalsContact C-N 3.3Å; I383-R385 PolarHBondContact O-N 3.23Å; I383-V386 PolarHBondContact O-N 2.89Å; I383-K387 HydrophobicContact CG2-CD 4.35Å; I383-K387 HydrophobicContact CG2-CG 4.45Å; I383-K387 WeakPolarHBondContact O-CG 3.48Å; I383-K387 PolarHBondContact O-N 2.73Å
384	R	93.1	Very high	88.9	Confident	157 Å²	157	78.8 Å²	78.8	59%	0.592	38%	0.381	S	S	*	.	H	α-helix	trans	-60	-40.2	175.8	-80.6	172.1	-178.3	164.7	-3	111.8	R380 K381 M382 V386 K387 T388	R380-R384 WeakPolarHBondContact O-CB 3.37Å; R380-R384 VanDerWaalsContact O-CG 3.25Å; R380-R384 WeakPolarHBondContact O-CG 3.37Å; R380-R384 PolarHBondContact O-N 3.45Å; K381-R384 WeakPolarHBondContact O-CB 3.41Å; K381-R384 PolarHBondContact O-N 3.17Å; M382-R384 VanDerWaalsContact C-N 3.34Å; M382-R384 PolarHBondContact O-N 3.3Å; R384-V386 PolarHBondContact O-N 3.15Å; R384-K387 WeakPolarHBondContact O-CB 3.4Å; R384-K387 PolarHBondContact O-N 3.4Å; R384-T388 PolarHBondContact O-N 3.47Å; R384-T388 PolarHBondContact O-OG1 2.88Å
385	R	92.4	Very high	88.6	Confident	52 Å²	52	84 Å²	84	20%	0.196	41%	0.411	C	S	.	.	H	α-helix	trans	-62.1	-44.2	177.8	-64	-177.1	-64	178.7	0.9	112.5	K381 M382 I383 K387 T388 K389 L460 D462	K381-R385 PolarHBondContact O-N 3.1Å; M382-R385 PolarHBondContact O-N 3.17Å; I383-R385 VanDerWaalsContact C-N 3.3Å; I383-R385 PolarHBondContact O-N 3.23Å; R385-K387 VanDerWaalsContact C-N 3.33Å; R385-K387 PolarHBondContact O-N 3.2Å; R385-T388 PolarHBondContact O-N 3Å; R385-K389 PolarHBondContact O-N 2.94Å; R385-L460 PolarHBondContact NH2-O 3.32Å; R385-D462 PolarHBondContact NH1-O 3.31Å
386	V	93.3	Very high	88.2	Confident	0 Å²	0	85.9 Å²	85.9	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-61	-43.7	174.5	179.6	0	0	0	0	110.6	E361 V362 A365 M382 I383 R384 T388 K389 F390 T459 L460	E361-V386 HydrophobicContact CB-CG1 3.92Å; V362-V386 HydrophobicContact CG2-CG1 4.34Å; A365-V386 HydrophobicContact CB-CG1 4.36Å; A365-V386 HydrophobicContact CB-CG2 4.12Å; M382-V386 PolarHBondContact O-N 3.08Å; I383-V386 PolarHBondContact O-N 2.89Å; R384-V386 PolarHBondContact O-N 3.15Å; V386-T388 VanDerWaalsContact C-N 3.35Å; V386-T388 PolarHBondContact O-N 3.42Å; V386-K389 PolarHBondContact O-N 3.02Å; V386-F390 HydrophobicContact CG1-CD2 4.05Å; V386-F390 WeakPolarHBondContact O-CB 3.36Å; V386-F390 WeakPolarHBondContact O-CD2 3.35Å; V386-F390 PolarHBondContact O-N 3.4Å; V386-T459 HydrophobicContact CG2-CG2 4.34Å; V386-L460 HydrophobicContact CG2-CB 4.21Å; V386-L460 HydrophobicContact CG2-CD1 3.82Å
387	K	92.9	Very high	88.1	Confident	117 Å²	117	82.8 Å²	82.8	51%	0.509	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-37.5	176	-74.3	-177.7	174.3	-165.3	0	113.7	V362 I383 R384 R385 F390	V362-K387 HydrophobicContact CG1-CG 4.47Å; V362-K387 HydrophobicContact CG2-CG 3.49Å; V362-K387 VanDerWaalsContact CG2-CG 3.49Å; I383-K387 HydrophobicContact CG2-CD 4.35Å; I383-K387 HydrophobicContact CG2-CG 4.45Å; I383-K387 WeakPolarHBondContact O-CG 3.48Å; I383-K387 PolarHBondContact O-N 2.73Å; R384-K387 WeakPolarHBondContact O-CB 3.4Å; R384-K387 PolarHBondContact O-N 3.4Å; R385-K387 VanDerWaalsContact C-N 3.33Å; R385-K387 PolarHBondContact O-N 3.2Å; K387-F390 CarbonylContact O-C 3.54Å
388	T	92	Very high	88.2	Confident	115 Å²	115	82.4 Å²	82.4	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-69.7	-40.3	179.5	-61	0	0	0	0	111.3	R384 R385 V386	R384-T388 PolarHBondContact O-N 3.47Å; R384-T388 PolarHBondContact O-OG1 2.88Å; R385-T388 PolarHBondContact O-N 3Å; V386-T388 VanDerWaalsContact C-N 3.35Å; V386-T388 PolarHBondContact O-N 3.42Å
389	K	90.4	Very high	88.3	Confident	72 Å²	72	80.3 Å²	80.3	31%	0.313	39%	0.391	S	S	.	.	H	α-helix	trans	-79.6	-34.4	178.9	-168.4	177.2	176.8	178.7	0	113	R385 V386 P391 Q396 D455 T459	R385-K389 PolarHBondContact O-N 2.94Å; V386-K389 PolarHBondContact O-N 3.02Å; K389-P391 VanDerWaalsContact O-CD 3.29Å; K389-P391 WeakPolarHBondContact O-CD 3.24Å; K389-Q396 PolarHBondContact O-OE1 3.34Å; K389-D455 WeakPolarHBondContact CE-OD2 3.32Å; K389-D455 IonicContact NZ-OD1 3.04Å; K389-D455 PolarHBondContact NZ-OD1 2.95Å; K389-D455 IonicContact NZ-OD2 2.93Å; K389-D455 PolarHBondContact NZ-OD2 2.95Å; K389-T459 HydrophobicContact CB-CG2 3.97Å; K389-T459 HydrophobicContact CD-CG2 3.63Å; K389-T459 WeakPolarHBondContact CD-OG1 3.46Å; K389-T459 HydrophobicContact CG-CG2 4.46Å; K389-T459 PolarHBondContact NZ-OG1 3.14Å
390	F	92.5	Very high	88.5	Confident	7 Å²	7	76.2 Å²	76.2	3%	0.031	38%	0.376	C	S	.	.	S	Bend	trans	-119.9	73	178.1	-52	-78.5	0	0	0	110.5	E361 V386 K387 Q396 S397 H452 D455 V456 T459	E361-F390 HydrophobicContact CB-CB 4.19Å; E361-F390 HydrophobicContact CB-CD2 4.32Å; E361-F390 HydrophobicContact CB-CG 4.3Å; E361-F390 HydrophobicContact CG-CB 4.11Å; E361-F390 HydrophobicContact CG-CD1 4.31Å; E361-F390 HydrophobicContact CG-CD2 4.31Å; E361-F390 HydrophobicContact CG-CG 3.99Å; V386-F390 HydrophobicContact CG1-CD2 4.05Å; V386-F390 WeakPolarHBondContact O-CB 3.36Å; V386-F390 WeakPolarHBondContact O-CD2 3.35Å; V386-F390 PolarHBondContact O-N 3.4Å; K387-F390 CarbonylContact O-C 3.54Å; F390-Q396 HydrophobicContact CD1-CB 4.08Å; F390-Q396 WeakPolarHBondContact CD1-O 3.42Å; F390-S397 VanDerWaalsContact C-OG 3.32Å; F390-S397 PolarHBondContact O-OG 3.05Å; F390-H452 AromaticContact CE1-CE1 3.8Å; F390-D455 HydrophobicContact CZ-CB 4.49Å; F390-D455 WeakPolarHBondContact CZ-OD2 3.23Å; F390-V456 HydrophobicContact CD2-CG2 4.32Å; F390-V456 HydrophobicContact CE1-CG2 4.39Å; F390-V456 HydrophobicContact CE2-CB 4.43Å; F390-V456 HydrophobicContact CE2-CG2 3.79Å; F390-V456 HydrophobicContact CZ-CG2 3.82Å; F390-T459 HydrophobicContact CE2-CG2 4.25Å
391	P	88.4	Confident	88.7	Confident	57 Å²	57	73 Å²	73	37%	0.37	37%	0.369	S	S	.	.			trans	-62	144.5	172.9	-21.5	32.9	0	0	0	111.4	K389 D393 S394 S397	K389-P391 VanDerWaalsContact O-CD 3.29Å; K389-P391 WeakPolarHBondContact O-CD 3.24Å; P391-D393 PolarHBondContact O-N 3.22Å; P391-S394 WeakPolarHBondContact O-CB 3.46Å; P391-S394 PolarHBondContact O-N 3.48Å; P391-S394 PolarHBondContact O-OG 3.32Å; P391-S394 VanDerWaalsContact O-OG 3.09Å; P391-S397 WeakPolarHBondContact O-CB 3.35Å; P391-S397 PolarHBondContact O-OG 2.93Å
392	I	79.5	Confident	88.8	Confident	138 Å²	138	69.6 Å²	69.6	71%	0.708	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	134.4	175	-56.3	173.3	0	0	0	108.2	S394	I392-S394 PolarHBondContact O-N 3.12Å
393	D	77.3	Confident	89	Confident	157 Å²	157	76.3 Å²	76.3	84%	0.84	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	17.4	-178.7	-46.8	-40.5	0	0	0	116.4	P391	P391-D393 PolarHBondContact O-N 3.22Å
394	S	80.4	Confident	89.1	Confident	37 Å²	37	76.9 Å²	76.9	26%	0.259	39%	0.385	S	S	.	.	S	Bend	trans	-87.2	156.7	168.9	78.1	0	0	0	0	112.3	P391 I392 Q396 S397	P391-S394 WeakPolarHBondContact O-CB 3.46Å; P391-S394 PolarHBondContact O-N 3.48Å; P391-S394 PolarHBondContact O-OG 3.32Å; P391-S394 VanDerWaalsContact O-OG 3.09Å; I392-S394 PolarHBondContact O-N 3.12Å; S394-Q396 PolarHBondContact O-N 3.02Å; S394-Q396 PolarHBondContact OG-N 3.33Å; S394-S397 PolarHBondContact O-N 3.43Å; S394-S397 PolarHBondContact OG-N 3.36Å; S394-S397 PolarHBondContact OG-OG 3.37Å
395	D	79.6	Confident	89.1	Confident	167 Å²	167	69.5 Å²	69.5	89%	0.893	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.9	173.5	-65.6	-28.8	0	0	0	113
396	Q	78.2	Confident	89.2	Confident	115 Å²	115	68.2 Å²	68.2	54%	0.537	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-20.3	177.7	-64	178.5	-15.7	0	0	112.5	K389 F390 S394 I398 H452	K389-Q396 PolarHBondContact O-OE1 3.34Å; F390-Q396 HydrophobicContact CD1-CB 4.08Å; F390-Q396 WeakPolarHBondContact CD1-O 3.42Å; S394-Q396 PolarHBondContact O-N 3.02Å; S394-Q396 PolarHBondContact OG-N 3.33Å; Q396-I398 VanDerWaalsContact C-N 3.32Å; Q396-I398 PolarHBondContact O-N 3.27Å; Q396-I398 VanDerWaalsContact O-N 3.11Å; Q396-H452 PolarHBondContact O-CE1 2.86Å; Q396-H452 VanDerWaalsContact O-CE1 3.27Å
397	S	83.6	Confident	89.2	Confident	30 Å²	30	70 Å²	70	21%	0.21	37%	0.365	C	S	.	.			trans	-89.1	69.4	-178.7	-67	0	0	0	0	111.1	F390 P391 S394 G399	F390-S397 VanDerWaalsContact C-OG 3.32Å; F390-S397 PolarHBondContact O-OG 3.05Å; P391-S397 WeakPolarHBondContact O-CB 3.35Å; P391-S397 PolarHBondContact O-OG 2.93Å; S394-S397 PolarHBondContact O-N 3.43Å; S394-S397 PolarHBondContact OG-N 3.36Å; S394-S397 PolarHBondContact OG-OG 3.37Å; S397-G399 VanDerWaalsContact C-N 3.25Å; S397-G399 PolarHBondContact O-N 3.31Å
398	I	89.7	Confident	89.2	Confident	95 Å²	95	64.4 Å²	64.4	49%	0.487	34%	0.341	S	S	.	.			trans	-72.1	-23.4	-177.6	-56.2	166.1	0	0	0	111.4	K358 E361 Q396	K358-I398 VanDerWaalsContact CD-O 3.25Å; K358-I398 WeakPolarHBondContact CD-O 3.39Å; K358-I398 PolarHBondContact NZ-O 3.27Å; E361-I398 PolarHBondContact OE1-N 2.7Å; Q396-I398 VanDerWaalsContact C-N 3.32Å; Q396-I398 PolarHBondContact O-N 3.27Å; Q396-I398 VanDerWaalsContact O-N 3.11Å
399	G	92	Very high	89.2	Confident	10 Å²	10	59.4 Å²	59.4	10%	0.103	31%	0.311	C	S	.	.			trans	79.8	159.4	-171.6	0	0	0	0	0	112.8	I359 E361 S397	I359-G399 WeakPolarHBondContact O-CA 3.18Å; E361-G399 WeakPolarHBondContact OE1-CA 3.23Å; E361-G399 PolarHBondContact OE1-N 3.21Å; S397-G399 VanDerWaalsContact C-N 3.25Å; S397-G399 PolarHBondContact O-N 3.31Å
400	I	94.8	Very high	89.2	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.3	-177.4	-66.6	172.9	0	0	0	108.9	K358 I359 E361 F364 D404 V456	K358-I400 WeakPolarHBondContact CA-O 3.4Å; I359-I400 HydrophobicContact CG1-CB 3.96Å; I359-I400 HydrophobicContact CG1-CG2 4.35Å; I359-I400 PolarHBondContact N-O 2.81Å; I359-I400 PolarHBondContact O-N 2.74Å; E361-I400 HydrophobicContact CG-CD1 4.47Å; F364-I400 HydrophobicContact CB-CD1 3.39Å; F364-I400 HydrophobicContact CD1-CD1 3.26Å; F364-I400 HydrophobicContact CD2-CD1 4.17Å; F364-I400 HydrophobicContact CD2-CG2 4.36Å; F364-I400 HydrophobicContact CE1-CD1 4Å; F364-I400 HydrophobicContact CG-CD1 3.34Å; I400-D404 HydrophobicContact CG2-CB 3.73Å; I400-V456 HydrophobicContact CD1-CG1 4.43Å; I400-V456 HydrophobicContact CD1-CG2 4.43Å
401	T	95.9	Very high	89.2	Confident	44 Å²	44	58.5 Å²	58.5	27%	0.27	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	166	-179.1	69.2	0	0	0	0	111.6	K358 K403 D404 F405	K358-T401 HydrophobicContact CG-CG2 4.22Å; T401-K403 VanDerWaalsContact C-N 3.26Å; T401-K403 PolarHBondContact O-N 3.45Å; T401-D404 WeakPolarHBondContact CB-OD2 3.46Å; T401-D404 PolarHBondContact N-OD2 3.41Å; T401-D404 VanDerWaalsContact N-OD2 3.11Å; T401-D404 PolarHBondContact O-N 3.01Å; T401-D404 PolarHBondContact OG1-N 3.08Å; T401-D404 PolarHBondContact OG1-OD2 3.34Å; T401-F405 PolarHBondContact O-N 3.37Å; T401-F405 VanDerWaalsContact O-N 3.07Å
402	Y	94.8	Very high	89.2	Confident	72 Å²	72	56 Å²	56	28%	0.282	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-38.4	172.4	179.3	-107.2	0	0	0	112.4	M345 R346 F349 F405 S406	M345-Y402 HydrophobicContact CE-CE2 4.06Å; M345-Y402 WeakPolarHBondContact CE-OH 3.08Å; R346-Y402 HydrophobicContact CB-CE2 4.2Å; R346-Y402 HydrophobicContact CG-CE2 3.92Å; F349-Y402 HydrophobicContact CB-CD2 4.17Å; F349-Y402 HydrophobicContact CB-CE2 4.41Å; F349-Y402 AromaticContact CD1-CD2 3.74Å; F349-Y402 HydrophobicContact CD1-CD2 3.74Å; F349-Y402 HydrophobicContact CD2-CD2 4.23Å; F349-Y402 HydrophobicContact CE1-CD2 4.15Å; F349-Y402 AromaticContact CG-CD2 3.79Å; F349-Y402 HydrophobicContact CG-CD2 3.79Å; F349-Y402 HydrophobicContact CG-CE2 4.5Å; Y402-F405 PolarHBondContact O-N 2.73Å; Y402-S406 WeakPolarHBondContact O-CB 3.49Å; Y402-S406 PolarHBondContact O-N 3.24Å
403	K	95	Very high	89.6	Confident	146 Å²	146	53.8 Å²	53.8	64%	0.635	27%	0.274	S	S	*	.	H	α-helix	trans	-60.7	-48.3	177.1	-176.1	-177.3	176	-172.5	0	111	T401 F405 S406 D407	T401-K403 VanDerWaalsContact C-N 3.26Å; T401-K403 PolarHBondContact O-N 3.45Å; K403-F405 VanDerWaalsContact C-N 3.31Å; K403-F405 PolarHBondContact O-N 2.98Å; K403-S406 PolarHBondContact O-N 3.4Å; K403-D407 WeakPolarHBondContact O-CB 3.33Å; K403-D407 VanDerWaalsContact O-CG 3.3Å; K403-D407 PolarHBondContact O-N 3.36Å
404	D	95.2	Very high	90.1	Very high	27 Å²	27	47.5 Å²	47.5	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-57.8	-43.5	176.7	-67.1	-46.2	0	0	0	112.1	I400 T401 F408 S450 V453	I400-D404 HydrophobicContact CG2-CB 3.73Å; T401-D404 WeakPolarHBondContact CB-OD2 3.46Å; T401-D404 PolarHBondContact N-OD2 3.41Å; T401-D404 VanDerWaalsContact N-OD2 3.11Å; T401-D404 PolarHBondContact O-N 3.01Å; T401-D404 PolarHBondContact OG1-N 3.08Å; T401-D404 PolarHBondContact OG1-OD2 3.34Å; D404-F408 WeakPolarHBondContact O-CB 3.42Å; D404-F408 PolarHBondContact O-N 2.85Å; D404-F408 VanDerWaalsContact O-N 3.1Å; D404-S450 VanDerWaalsContact OD1-CB 3.29Å; D404-S450 WeakPolarHBondContact OD1-CB 3.2Å; D404-V453 HydrophobicContact CB-CG2 3.61Å
405	F	93.9	Very high	90.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-40	177.4	-168.6	-91.1	0	0	0	112.6	M345 F349 I359 F364 S367 T401 Y402 K403 S409	M345-F405 HydrophobicContact CG-CD1 3.74Å; M345-F405 HydrophobicContact CG-CE1 3.49Å; M345-F405 VanDerWaalsContact CG-CE1 3.49Å; M345-F405 HydrophobicContact SD-CD1 4.33Å; F349-F405 HydrophobicContact CB-CD1 4.28Å; F349-F405 HydrophobicContact CB-CE1 4.31Å; F349-F405 HydrophobicContact CD2-CB 3.88Å; F349-F405 HydrophobicContact CD2-CD1 4.17Å; F349-F405 HydrophobicContact CD2-CD2 4.07Å; F349-F405 AromaticContact CD2-CG 3.79Å; F349-F405 HydrophobicContact CD2-CG 3.79Å; F349-F405 HydrophobicContact CE2-CB 4.16Å; F349-F405 HydrophobicContact CE2-CG 4.5Å; I359-F405 HydrophobicContact CD1-CD2 3.9Å; I359-F405 HydrophobicContact CD1-CE2 4.21Å; F364-F405 AromaticContact CD2-CD2 3.59Å; F364-F405 HydrophobicContact CD2-CD2 3.59Å; F364-F405 AromaticContact CD2-CE2 3.87Å; F364-F405 HydrophobicContact CD2-CE2 3.87Å; F364-F405 AromaticContact CE2-CD2 3.81Å; F364-F405 HydrophobicContact CE2-CD2 3.81Å; F364-F405 HydrophobicContact CE2-CE2 4.2Å; S367-F405 WeakPolarHBondContact OG-CE2 3.49Å; T401-F405 PolarHBondContact O-N 3.37Å; T401-F405 VanDerWaalsContact O-N 3.07Å; Y402-F405 PolarHBondContact O-N 2.73Å; K403-F405 VanDerWaalsContact C-N 3.31Å; K403-F405 PolarHBondContact O-N 2.98Å; F405-S409 VanDerWaalsContact O-CB 3.3Å; F405-S409 WeakPolarHBondContact O-CB 3.38Å; F405-S409 PolarHBondContact O-N 3.07Å; F405-S409 PolarHBondContact O-OG 3.44Å
406	S	93.2	Very high	91	Very high	25 Å²	25	41.3 Å²	41.3	18%	0.175	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-48.5	179	-173.9	0	0	0	0	111.8	Y402 K403 F408 S409 H410	Y402-S406 WeakPolarHBondContact O-CB 3.49Å; Y402-S406 PolarHBondContact O-N 3.24Å; K403-S406 PolarHBondContact O-N 3.4Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 3.29Å; S406-S409 CarbonylContact O-C 3.39Å; S406-S409 PolarHBondContact O-N 3.47Å; S406-S409 VanDerWaalsContact O-N 3.08Å; S406-H410 PolarHBondContact O-N 3.29Å
407	D	94.3	Very high	91.6	Very high	36 Å²	36	40.4 Å²	40.4	19%	0.193	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-46.4	177.9	-70.4	-17	0	0	0	110.2	K403 S409 H410 L411 L447 L449	K403-D407 WeakPolarHBondContact O-CB 3.33Å; K403-D407 VanDerWaalsContact O-CG 3.3Å; K403-D407 PolarHBondContact O-N 3.36Å; D407-S409 VanDerWaalsContact C-N 3.34Å; D407-S409 PolarHBondContact O-N 2.93Å; D407-H410 PolarHBondContact O-N 3.32Å; D407-L411 PolarHBondContact O-N 3.13Å; D407-L447 HydrophobicContact CB-CD1 4.5Å; D407-L447 HydrophobicContact CB-CD2 4.45Å; D407-L447 WeakPolarHBondContact O-CD1 3.43Å; D407-L449 HydrophobicContact CB-CD2 4.37Å
408	F	93.2	Very high	91.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64	-38.4	175.8	-166.2	-99.4	0	0	0	112.4	F364 L368 D404 S406 L411 L412 L449 V453 V457 M478	F364-F408 HydrophobicContact CE2-CD1 4.36Å; F364-F408 HydrophobicContact CZ-CB 4.42Å; F364-F408 AromaticContact CZ-CD1 3.89Å; F364-F408 HydrophobicContact CZ-CD1 3.89Å; F364-F408 HydrophobicContact CZ-CE1 4.36Å; F364-F408 HydrophobicContact CZ-CG 4.09Å; L368-F408 HydrophobicContact CD1-CE1 3.97Å; L368-F408 HydrophobicContact CD1-CZ 4.45Å; L368-F408 HydrophobicContact CD2-CD1 3.94Å; L368-F408 HydrophobicContact CD2-CE1 3.6Å; L368-F408 HydrophobicContact CG-CE1 4.46Å; D404-F408 WeakPolarHBondContact O-CB 3.42Å; D404-F408 PolarHBondContact O-N 2.85Å; D404-F408 VanDerWaalsContact O-N 3.1Å; S406-F408 VanDerWaalsContact C-N 3.33Å; S406-F408 PolarHBondContact O-N 3.29Å; F408-L411 HydrophobicContact CE2-CD2 4.39Å; F408-L411 WeakPolarHBondContact O-CB 3.32Å; F408-L411 PolarHBondContact O-N 3.18Å; F408-L412 HydrophobicContact CD1-CD1 3.92Å; F408-L412 HydrophobicContact CD1-CG 4.31Å; F408-L412 HydrophobicContact CE1-CD1 3.78Å; F408-L412 HydrophobicContact CE1-CD2 4.27Å; F408-L412 HydrophobicContact CE1-CG 4.13Å; F408-L412 WeakPolarHBondContact O-CG 3.38Å; F408-L412 PolarHBondContact O-N 3.02Å; F408-L412 VanDerWaalsContact O-N 3.15Å; F408-L449 HydrophobicContact CD2-CD1 4.24Å; F408-L449 HydrophobicContact CD2-CD2 4.38Å; F408-V453 HydrophobicContact CB-CG1 4.4Å; F408-V453 HydrophobicContact CD2-CG1 4Å; F408-V453 HydrophobicContact CG-CG1 4.37Å; F408-V457 HydrophobicContact CD2-CG2 4.4Å; F408-V457 HydrophobicContact CE2-CG1 4.48Å; F408-V457 HydrophobicContact CE2-CG2 3.69Å; F408-V457 HydrophobicContact CZ-CG1 4.37Å; F408-V457 HydrophobicContact CZ-CG2 3.75Å; F408-M478 HydrophobicContact CE1-SD 4.22Å; F408-M478 HydrophobicContact CZ-CE 4.47Å; F408-M478 HydrophobicContact CZ-SD 4.37Å
409	S	90.6	Very high	92	Very high	11 Å²	11	36 Å²	36	8%	0.077	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-31.8	176.4	-64.9	0	0	0	0	112.8	M345 F405 S406 D407 L412 R413 R481	M345-S409 WeakPolarHBondContact SD-CB 3.35Å; F405-S409 VanDerWaalsContact O-CB 3.3Å; F405-S409 WeakPolarHBondContact O-CB 3.38Å; F405-S409 PolarHBondContact O-N 3.07Å; F405-S409 PolarHBondContact O-OG 3.44Å; S406-S409 CarbonylContact O-C 3.39Å; S406-S409 PolarHBondContact O-N 3.47Å; S406-S409 VanDerWaalsContact O-N 3.08Å; D407-S409 VanDerWaalsContact C-N 3.34Å; D407-S409 PolarHBondContact O-N 2.93Å; S409-L412 WeakPolarHBondContact O-CB 3.29Å; S409-L412 PolarHBondContact O-N 2.87Å; S409-R413 PolarHBondContact O-N 3.22Å; S409-R413 VanDerWaalsContact O-N 3.13Å; S409-R481 PolarHBondContact OG-NH1 2.66Å
410	H	90.8	Very high	91.9	Very high	57 Å²	57	39 Å²	39	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-66.7	-40.5	171.1	178.3	-119.2	0	0	0	111.7	S406 D407 L412 R413 S414 A445 L447	S406-H410 PolarHBondContact O-N 3.29Å; D407-H410 PolarHBondContact O-N 3.32Å; H410-L412 PolarHBondContact O-N 3.11Å; H410-R413 VanDerWaalsContact CD2-CZ 3.48Å; H410-R413 PolarHBondContact CD2-NH2 3.16Å; H410-R413 WeakPolarHBondContact O-CB 3.32Å; H410-R413 PolarHBondContact O-N 3.29Å; H410-R413 VanDerWaalsContact O-N 3.08Å; H410-S414 PolarHBondContact O-N 3.26Å; H410-A445 PolarHBondContact CE1-O 3.41Å; H410-L447 HydrophobicContact CB-CD1 3.95Å; H410-L447 VanDerWaalsContact ND1-CD1 3.27Å; H410-L447 WeakPolarHBondContact ND1-CD1 3.27Å
411	L	92	Very high	91.8	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-55.4	-41.3	170.6	179.6	66.2	0	0	0	111.6	D407 F408 R413 S414 V418 A441 A445 L447 L449	D407-L411 PolarHBondContact O-N 3.13Å; F408-L411 HydrophobicContact CE2-CD2 4.39Å; F408-L411 WeakPolarHBondContact O-CB 3.32Å; F408-L411 PolarHBondContact O-N 3.18Å; L411-R413 VanDerWaalsContact C-N 3.32Å; L411-R413 PolarHBondContact O-N 3.12Å; L411-S414 CarbonylContact O-C 3.6Å; L411-S414 PolarHBondContact O-N 2.96Å; L411-S414 VanDerWaalsContact O-N 3.14Å; L411-V418 HydrophobicContact CD1-CG2 3.53Å; L411-V418 HydrophobicContact CG-CG2 4.25Å; L411-A441 HydrophobicContact CD1-CB 3.79Å; L411-A441 HydrophobicContact CD2-CB 4.12Å; L411-A445 HydrophobicContact CD1-CB 4.27Å; L411-L447 HydrophobicContact CB-CD1 4.32Å; L411-L449 HydrophobicContact CD2-CD1 3.8Å
412	L	90.1	Very high	91.5	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-68.9	-27.6	179.1	-64	174.6	0	0	0	113.7	F408 S409 H410 S414 I415 M478 R481 L482	F408-L412 HydrophobicContact CD1-CD1 3.92Å; F408-L412 HydrophobicContact CD1-CG 4.31Å; F408-L412 HydrophobicContact CE1-CD1 3.78Å; F408-L412 HydrophobicContact CE1-CD2 4.27Å; F408-L412 HydrophobicContact CE1-CG 4.13Å; F408-L412 WeakPolarHBondContact O-CG 3.38Å; F408-L412 PolarHBondContact O-N 3.02Å; F408-L412 VanDerWaalsContact O-N 3.15Å; S409-L412 WeakPolarHBondContact O-CB 3.29Å; S409-L412 PolarHBondContact O-N 2.87Å; H410-L412 PolarHBondContact O-N 3.11Å; L412-S414 PolarHBondContact O-N 2.86Å; L412-I415 VanDerWaalsContact O-CB 3.29Å; L412-I415 WeakPolarHBondContact O-CB 3.49Å; L412-I415 PolarHBondContact O-N 3.49Å; L412-M478 HydrophobicContact CD1-SD 4.11Å; L412-M478 HydrophobicContact CD2-CB 3.54Å; L412-M478 HydrophobicContact CD2-CG 3.52Å; L412-M478 HydrophobicContact CD2-SD 3.3Å; L412-M478 WeakPolarHBondContact CD2-SD 3.5Å; L412-M478 HydrophobicContact CG-SD 4.35Å; L412-R481 HydrophobicContact CD1-CG 4.49Å; L412-L482 WeakPolarHBondContact O-CD2 3.16Å
413	R	87.7	Confident	91.2	Very high	91 Å²	91	36 Å²	36	34%	0.343	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-30.8	171.7	-71.7	-172.2	-75.2	160.9	-9	111.7	S409 H410 L411 I415 L482	S409-R413 PolarHBondContact O-N 3.22Å; S409-R413 VanDerWaalsContact O-N 3.13Å; H410-R413 VanDerWaalsContact CD2-CZ 3.48Å; H410-R413 PolarHBondContact CD2-NH2 3.16Å; H410-R413 WeakPolarHBondContact O-CB 3.32Å; H410-R413 PolarHBondContact O-N 3.29Å; H410-R413 VanDerWaalsContact O-N 3.08Å; L411-R413 VanDerWaalsContact C-N 3.32Å; L411-R413 PolarHBondContact O-N 3.12Å; R413-I415 VanDerWaalsContact C-N 3.35Å; R413-L482 HydrophobicContact CG-CD1 4.18Å
414	S	88.1	Confident	91	Very high	25 Å²	25	35.5 Å²	35.5	18%	0.175	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	25	176.1	-54.4	0	0	0	0	113.3	H410 L411 L412 A416 D417 V418	H410-S414 PolarHBondContact O-N 3.26Å; L411-S414 CarbonylContact O-C 3.6Å; L411-S414 PolarHBondContact O-N 2.96Å; L411-S414 VanDerWaalsContact O-N 3.14Å; L412-S414 PolarHBondContact O-N 2.86Å; S414-A416 PolarHBondContact O-N 3.33Å; S414-A416 VanDerWaalsContact O-N 3.11Å; S414-D417 PolarHBondContact O-N 3.37Å; S414-V418 WeakPolarHBondContact O-CG2 3.21Å; S414-V418 PolarHBondContact O-N 3.33Å
415	I	89.5	Confident	90.7	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.067	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-28.8	-175	-165.6	58	0	0	0	113.6	L412 R413 D417 V418 D419 M478 L482	L412-I415 VanDerWaalsContact O-CB 3.29Å; L412-I415 WeakPolarHBondContact O-CB 3.49Å; L412-I415 PolarHBondContact O-N 3.49Å; R413-I415 VanDerWaalsContact C-N 3.35Å; I415-D417 VanDerWaalsContact C-N 3.34Å; I415-V418 HydrophobicContact CD1-CB 4.27Å; I415-V418 HydrophobicContact CD1-CG1 4.25Å; I415-V418 PolarHBondContact O-N 3.22Å; I415-D419 WeakPolarHBondContact O-CB 3.18Å; I415-D419 PolarHBondContact O-N 3.44Å; I415-M478 HydrophobicContact CD1-CB 3.63Å; I415-M478 HydrophobicContact CD1-CG 4.48Å; I415-M478 HydrophobicContact CG1-CB 4.1Å; I415-L482 HydrophobicContact CG2-CD2 3.5Å
416	A	88.1	Confident	90.3	Very high	62 Å²	62	42.6 Å²	42.6	51%	0.512	23%	0.225	S	C	.	.	H	α-helix	trans	-65.9	-38.2	177.8	0	0	0	0	0	112.2	S414 T420	S414-A416 PolarHBondContact O-N 3.33Å; S414-A416 VanDerWaalsContact O-N 3.11Å; A416-T420 PolarHBondContact O-N 3.41Å; A416-T420 PolarHBondContact O-OG1 3.41Å
417	D	91.3	Very high	90.1	Very high	95 Å²	95	47.9 Å²	47.9	51%	0.508	25%	0.248	S	C	.	.	H	α-helix	trans	-77.7	-37.7	177.5	-59.4	-40.4	0	0	0	110.6	S414 I415 T420 A421 V444	S414-D417 PolarHBondContact O-N 3.37Å; I415-D417 VanDerWaalsContact C-N 3.34Å; D417-T420 WeakPolarHBondContact O-CB 3.47Å; D417-T420 PolarHBondContact O-N 3.08Å; D417-A421 WeakPolarHBondContact O-CB 3.33Å; D417-A421 PolarHBondContact O-N 3.11Å; D417-V444 HydrophobicContact CB-CG1 3.35Å
418	V	90.5	Very high	89.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-43	171.7	174.7	0	0	0	0	111.3	L411 S414 I415 T420 A421 L422 V440 V444	L411-V418 HydrophobicContact CD1-CG2 3.53Å; L411-V418 HydrophobicContact CG-CG2 4.25Å; S414-V418 WeakPolarHBondContact O-CG2 3.21Å; S414-V418 PolarHBondContact O-N 3.33Å; I415-V418 HydrophobicContact CD1-CB 4.27Å; I415-V418 HydrophobicContact CD1-CG1 4.25Å; I415-V418 PolarHBondContact O-N 3.22Å; V418-T420 VanDerWaalsContact C-N 3.33Å; V418-T420 PolarHBondContact O-N 2.94Å; V418-A421 PolarHBondContact O-N 3.14Å; V418-L422 HydrophobicContact CG1-CD1 3.82Å; V418-L422 HydrophobicContact CG1-CG 4.16Å; V418-L422 WeakPolarHBondContact O-CB 3.37Å; V418-L422 VanDerWaalsContact O-CG 3.3Å; V418-L422 WeakPolarHBondContact O-CG 3.27Å; V418-L422 PolarHBondContact O-N 2.91Å; V418-V440 HydrophobicContact CB-CG1 4.45Å; V418-V440 HydrophobicContact CG1-CG1 4.08Å; V418-V440 HydrophobicContact CG2-CG1 4.32Å; V418-V444 HydrophobicContact CG2-CG1 4.13Å
419	D	90.5	Very high	89.6	Confident	33 Å²	33	60.9 Å²	60.9	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-46.3	175.6	-176.8	17.2	0	0	0	110.8	I415 T423 Y471 V475	I415-D419 WeakPolarHBondContact O-CB 3.18Å; I415-D419 PolarHBondContact O-N 3.44Å; D419-T423 WeakPolarHBondContact O-CB 3.43Å; D419-T423 PolarHBondContact O-N 3.46Å; D419-T423 PolarHBondContact O-OG1 3.24Å; D419-Y471 VanDerWaalsContact OD1-CE2 3.25Å; D419-Y471 WeakPolarHBondContact OD1-CE2 3.36Å; D419-Y471 VanDerWaalsContact OD1-CZ 3.25Å; D419-Y471 PolarHBondContact OD1-OH 3.01Å; D419-V475 HydrophobicContact CB-CG1 3.9Å
420	T	91.2	Very high	89.4	Confident	72 Å²	72	62.5 Å²	62.5	44%	0.442	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-46.6	175.7	-55.2	0	0	0	0	111.5	A416 D417 V418 T423 F424	A416-T420 PolarHBondContact O-N 3.41Å; A416-T420 PolarHBondContact O-OG1 3.41Å; D417-T420 WeakPolarHBondContact O-CB 3.47Å; D417-T420 PolarHBondContact O-N 3.08Å; V418-T420 VanDerWaalsContact C-N 3.33Å; V418-T420 PolarHBondContact O-N 2.94Å; T420-T423 WeakPolarHBondContact O-CB 3.47Å; T420-T423 PolarHBondContact O-N 2.88Å; T420-F424 HydrophobicContact CG2-CE2 3.79Å; T420-F424 HydrophobicContact CG2-CZ 4.07Å; T420-F424 WeakPolarHBondContact O-CD2 3.43Å; T420-F424 PolarHBondContact O-N 3.03Å
421	A	92	Very high	89.1	Confident	19 Å²	19	61.8 Å²	61.8	16%	0.157	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-48.2	178.8	0	0	0	0	0	112.3	D417 V418 T423 F424 Y425 V440 V444	D417-A421 WeakPolarHBondContact O-CB 3.33Å; D417-A421 PolarHBondContact O-N 3.11Å; V418-A421 PolarHBondContact O-N 3.14Å; A421-T423 VanDerWaalsContact C-N 3.26Å; A421-T423 PolarHBondContact O-N 3.03Å; A421-F424 WeakPolarHBondContact O-CB 3.38Å; A421-F424 PolarHBondContact O-N 3.33Å; A421-F424 VanDerWaalsContact O-N 3.09Å; A421-Y425 WeakPolarHBondContact O-CD2 3.46Å; A421-Y425 PolarHBondContact O-N 3.3Å; A421-V440 HydrophobicContact CB-CG1 3.86Å; A421-V440 HydrophobicContact CB-CG2 4.26Å; A421-V444 HydrophobicContact CB-CG2 4.21Å
422	L	89.3	Confident	88.9	Confident	1 Å²	1	62 Å²	62	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-65.2	-31	177.9	-67.4	178.2	0	0	0	112.1	V418 F424 Y425 H426 I432 V440 Y471 F474 V475	V418-L422 HydrophobicContact CG1-CD1 3.82Å; V418-L422 HydrophobicContact CG1-CG 4.16Å; V418-L422 WeakPolarHBondContact O-CB 3.37Å; V418-L422 VanDerWaalsContact O-CG 3.3Å; V418-L422 WeakPolarHBondContact O-CG 3.27Å; V418-L422 PolarHBondContact O-N 2.91Å; L422-F424 VanDerWaalsContact C-N 3.32Å; L422-F424 PolarHBondContact O-N 2.71Å; L422-Y425 PolarHBondContact O-N 3.38Å; L422-H426 WeakPolarHBondContact O-CB 3.46Å; L422-H426 PolarHBondContact O-N 2.82Å; L422-I432 HydrophobicContact CB-CD1 4.42Å; L422-I432 HydrophobicContact CD2-CD1 4.08Å; L422-I432 HydrophobicContact CD2-CG1 4.24Å; L422-I432 HydrophobicContact CD2-CG2 3.86Å; L422-V440 HydrophobicContact CD2-CG2 4.17Å; L422-Y471 HydrophobicContact CB-CD2 3.76Å; L422-Y471 HydrophobicContact CB-CE2 4.04Å; L422-F474 HydrophobicContact CD1-CD1 4.2Å; L422-F474 HydrophobicContact CD1-CE1 4.33Å; L422-V475 HydrophobicContact CD1-CG2 3.9Å
423	T	88.6	Confident	88.9	Confident	34 Å²	34	64.7 Å²	64.7	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-40.9	171.7	-62	0	0	0	0	111.4	D419 T420 A421 H426 M427 Y471	D419-T423 WeakPolarHBondContact O-CB 3.43Å; D419-T423 PolarHBondContact O-N 3.46Å; D419-T423 PolarHBondContact O-OG1 3.24Å; T420-T423 WeakPolarHBondContact O-CB 3.47Å; T420-T423 PolarHBondContact O-N 2.88Å; A421-T423 VanDerWaalsContact C-N 3.26Å; A421-T423 PolarHBondContact O-N 3.03Å; T423-H426 PolarHBondContact O-N 2.77Å; T423-M427 HydrophobicContact CG2-CE 3.59Å; T423-M427 HydrophobicContact CG2-CG 4.36Å; T423-M427 HydrophobicContact CG2-SD 4.13Å; T423-M427 WeakPolarHBondContact O-CB 3.46Å; T423-M427 VanDerWaalsContact O-CG 3.27Å; T423-M427 WeakPolarHBondContact O-CG 3.22Å; T423-M427 PolarHBondContact O-N 3.43Å; T423-Y471 PolarHBondContact OG1-OH 2.77Å; T423-Y471 VanDerWaalsContact OG1-OH 3.09Å
424	F	90.6	Very high	89.1	Confident	134 Å²	134	63.3 Å²	63.3	59%	0.588	34%	0.339	S	S	*	.	H	α-helix	trans	-63.7	-43.2	175.5	-65.8	-48.1	0	0	0	112.5	T420 A421 L422 H426 M427 A428	T420-F424 HydrophobicContact CG2-CE2 3.79Å; T420-F424 HydrophobicContact CG2-CZ 4.07Å; T420-F424 WeakPolarHBondContact O-CD2 3.43Å; T420-F424 PolarHBondContact O-N 3.03Å; A421-F424 WeakPolarHBondContact O-CB 3.38Å; A421-F424 PolarHBondContact O-N 3.33Å; A421-F424 VanDerWaalsContact O-N 3.09Å; L422-F424 VanDerWaalsContact C-N 3.32Å; L422-F424 PolarHBondContact O-N 2.71Å; F424-H426 VanDerWaalsContact C-N 3.34Å; F424-H426 PolarHBondContact O-N 2.75Å; F424-M427 PolarHBondContact O-N 3.15Å; F424-A428 WeakPolarHBondContact O-CB 3.36Å; F424-A428 PolarHBondContact O-N 2.89Å
425	Y	88.9	Confident	89.3	Confident	65 Å²	65	68.4 Å²	68.4	26%	0.255	36%	0.364	S	S	.	.	H	α-helix	trans	-60.1	-44.6	174	-79.9	-80.6	0	0	0	111.8	A421 L422 M427 A428 R429 A430 T436 H439 V440	A421-Y425 WeakPolarHBondContact O-CD2 3.46Å; A421-Y425 PolarHBondContact O-N 3.3Å; L422-Y425 PolarHBondContact O-N 3.38Å; Y425-M427 PolarHBondContact O-N 2.88Å; Y425-A428 CarbonylContact O-C 3.45Å; Y425-A428 PolarHBondContact O-N 3.36Å; Y425-R429 PolarHBondContact O-N 3.41Å; Y425-R429 VanDerWaalsContact O-N 3.16Å; Y425-A430 HydrophobicContact CD1-CB 3.82Å; Y425-A430 PolarHBondContact O-N 3.2Å; Y425-T436 HydrophobicContact CD1-CG2 3.62Å; Y425-T436 HydrophobicContact CD2-CG2 4.01Å; Y425-T436 HydrophobicContact CE1-CG2 3.55Å; Y425-T436 HydrophobicContact CE2-CG2 3.94Å; Y425-T436 HydrophobicContact CG-CG2 3.86Å; Y425-H439 PolarHBondContact OH-CE1 3.48Å; Y425-H439 PolarHBondContact OH-ND1 2.92Å; Y425-V440 HydrophobicContact CD2-CG2 4.1Å; Y425-V440 HydrophobicContact CE2-CG2 3.59Å
426	H	85.5	Confident	89.4	Confident	114 Å²	114	68.9 Å²	68.9	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-62.9	-42.5	177	179.5	-82.9	0	0	0	112.1	L422 T423 F424 A428 R429	L422-H426 WeakPolarHBondContact O-CB 3.46Å; L422-H426 PolarHBondContact O-N 2.82Å; T423-H426 PolarHBondContact O-N 2.77Å; F424-H426 VanDerWaalsContact C-N 3.34Å; F424-H426 PolarHBondContact O-N 2.75Å; H426-A428 VanDerWaalsContact C-N 3.3Å; H426-A428 PolarHBondContact O-N 3.16Å; H426-R429 PolarHBondContact O-N 2.84Å
427	M	89.3	Confident	89.6	Confident	136 Å²	136	65.9 Å²	65.9	67%	0.67	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-36.2	175.2	-74	177.7	176.4	0	0	112.2	T423 F424 Y425 R429	T423-M427 HydrophobicContact CG2-CE 3.59Å; T423-M427 HydrophobicContact CG2-CG 4.36Å; T423-M427 HydrophobicContact CG2-SD 4.13Å; T423-M427 WeakPolarHBondContact O-CB 3.46Å; T423-M427 VanDerWaalsContact O-CG 3.27Å; T423-M427 WeakPolarHBondContact O-CG 3.22Å; T423-M427 PolarHBondContact O-N 3.43Å; F424-M427 PolarHBondContact O-N 3.15Å; Y425-M427 PolarHBondContact O-N 2.88Å; M427-R429 PolarHBondContact O-N 3.22Å
428	A	90.9	Very high	89.7	Confident	75 Å²	75	63.4 Å²	63.4	62%	0.62	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.7	174.5	0	0	0	0	0	113.7	F424 Y425 H426 A430	F424-A428 WeakPolarHBondContact O-CB 3.36Å; F424-A428 PolarHBondContact O-N 2.89Å; Y425-A428 CarbonylContact O-C 3.45Å; Y425-A428 PolarHBondContact O-N 3.36Å; H426-A428 VanDerWaalsContact C-N 3.3Å; H426-A428 PolarHBondContact O-N 3.16Å; A428-A430 PolarHBondContact O-N 3.38Å
429	R	86.2	Confident	89.8	Confident	233 Å²	233	68.2 Å²	68.2	88%	0.879	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	28.3	-173.2	-54.6	-179.6	176.1	179.4	-2	113.3	Y425 H426 M427	Y425-R429 PolarHBondContact O-N 3.41Å; Y425-R429 VanDerWaalsContact O-N 3.16Å; H426-R429 PolarHBondContact O-N 2.84Å; M427-R429 PolarHBondContact O-N 3.22Å
430	A	86.9	Confident	90	Very high	45 Å²	45	66.8 Å²	66.8	37%	0.372	35%	0.345	S	S	.	.			trans	-82.6	142.7	172.1	0	0	0	0	0	109.8	Y425 A428	Y425-A430 HydrophobicContact CD1-CB 3.82Å; Y425-A430 PolarHBondContact O-N 3.2Å; A428-A430 PolarHBondContact O-N 3.38Å
431	S	84.1	Confident	90.1	Very high	42 Å²	42	63.4 Å²	63.4	29%	0.294	32%	0.323	S	S	.	.			trans	-74.8	143.2	174.5	61.1	0	0	0	0	111.1	N433 T436 Q468	S431-N433 WeakPolarHBondContact CB-OD1 3.37Å; S431-N433 PolarHBondContact O-N 3.16Å; S431-N433 PolarHBondContact OG-ND2 3.13Å; S431-N433 PolarHBondContact OG-OD1 2.84Å; S431-T436 PolarHBondContact O-OG1 3.18Å; S431-Q468 VanDerWaalsContact CB-OE1 3.31Å
432	I	87.1	Confident	90.2	Very high	9 Å²	9	64.2 Å²	64.2	5%	0.046	33%	0.328	C	S	.	.			trans	-91.9	84.9	177.2	-57	168	0	0	0	107.4	L422 F458 L469	L422-I432 HydrophobicContact CB-CD1 4.42Å; L422-I432 HydrophobicContact CD2-CD1 4.08Å; L422-I432 HydrophobicContact CD2-CG1 4.24Å; L422-I432 HydrophobicContact CD2-CG2 3.86Å; I432-F458 VanDerWaalsContact O-CE1 3.28Å; I432-F458 WeakPolarHBondContact O-CE1 3.46Å; I432-F458 WeakPolarHBondContact O-CZ 3.45Å; I432-L469 HydrophobicContact CB-CB 4.32Å; I432-L469 HydrophobicContact CG2-CB 4.07Å; I432-L469 HydrophobicContact CG2-CD1 4.46Å; I432-L469 PolarHBondContact O-N 2.94Å
433	N	90.5	Very high	90.4	Very high	59 Å²	59	68.6 Å²	68.6	32%	0.316	36%	0.355	S	S	.	.			trans	-92.1	174	177	-58.4	6.8	0	0	0	110.3	S431 D435 T436 L437 F458	S431-N433 WeakPolarHBondContact CB-OD1 3.37Å; S431-N433 PolarHBondContact O-N 3.16Å; S431-N433 PolarHBondContact OG-ND2 3.13Å; S431-N433 PolarHBondContact OG-OD1 2.84Å; N433-D435 VanDerWaalsContact C-N 3.31Å; N433-D435 PolarHBondContact O-N 3.34Å; N433-T436 PolarHBondContact N-OG1 3.22Å; N433-T436 WeakPolarHBondContact O-CB 3.37Å; N433-T436 PolarHBondContact O-N 3.01Å; N433-T436 VanDerWaalsContact O-N 3.08Å; N433-L437 PolarHBondContact O-N 3.26Å; N433-F458 WeakPolarHBondContact O-CZ 3.47Å
434	Q	92.2	Very high	90.6	Very high	63 Å²	63	68.9 Å²	68.9	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-56.4	-43.7	-179.5	-65.9	-173.6	16.4	0	0	112.4	T436 L437 N438 L454 D455 F458	Q434-T436 VanDerWaalsContact C-N 3.31Å; Q434-T436 PolarHBondContact O-N 3.39Å; Q434-L437 PolarHBondContact O-N 3.15Å; Q434-N438 PolarHBondContact O-N 2.84Å; Q434-L454 HydrophobicContact CB-CB 4.48Å; Q434-L454 HydrophobicContact CG-CB 4.46Å; Q434-D455 PolarHBondContact NE2-OD1 3.47Å; Q434-F458 HydrophobicContact CB-CE2 4.22Å; Q434-F458 HydrophobicContact CB-CZ 4.4Å; Q434-F458 HydrophobicContact CG-CB 4.36Å; Q434-F458 HydrophobicContact CG-CD1 3.9Å; Q434-F458 HydrophobicContact CG-CD2 3.56Å; Q434-F458 HydrophobicContact CG-CE1 4.06Å; Q434-F458 HydrophobicContact CG-CE2 3.72Å; Q434-F458 HydrophobicContact CG-CG 3.65Å; Q434-F458 HydrophobicContact CG-CZ 3.99Å
435	D	92.2	Very high	90.5	Very high	132 Å²	132	63 Å²	63	71%	0.706	33%	0.332	S	S	*	.	H	α-helix	trans	-61.7	-40.1	176.8	-60.2	-45.2	0	0	0	112	N433 N438 H439	N433-D435 VanDerWaalsContact C-N 3.31Å; N433-D435 PolarHBondContact O-N 3.34Å; D435-N438 PolarHBondContact O-N 3.26Å; D435-H439 VanDerWaalsContact O-CB 3.3Å; D435-H439 WeakPolarHBondContact O-CB 3.45Å; D435-H439 PolarHBondContact O-N 3.46Å
436	T	91.5	Very high	90.7	Very high	22 Å²	22	66.6 Å²	66.6	14%	0.135	36%	0.356	C	S	.	.	H	α-helix	trans	-62.1	-46.9	176.5	-50.8	0	0	0	0	110.7	Y425 S431 N433 Q434 H439 V440	Y425-T436 HydrophobicContact CD1-CG2 3.62Å; Y425-T436 HydrophobicContact CD2-CG2 4.01Å; Y425-T436 HydrophobicContact CE1-CG2 3.55Å; Y425-T436 HydrophobicContact CE2-CG2 3.94Å; Y425-T436 HydrophobicContact CG-CG2 3.86Å; S431-T436 PolarHBondContact O-OG1 3.18Å; N433-T436 PolarHBondContact N-OG1 3.22Å; N433-T436 WeakPolarHBondContact O-CB 3.37Å; N433-T436 PolarHBondContact O-N 3.01Å; N433-T436 VanDerWaalsContact O-N 3.08Å; Q434-T436 VanDerWaalsContact C-N 3.31Å; Q434-T436 PolarHBondContact O-N 3.39Å; T436-H439 PolarHBondContact O-N 3.01Å; T436-V440 VanDerWaalsContact O-CG2 3.31Å; T436-V440 WeakPolarHBondContact O-CG2 3.46Å; T436-V440 PolarHBondContact O-N 2.96Å
437	L	91.5	Very high	91.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-39.7	179.3	-175.1	62.1	0	0	0	111.6	N433 Q434 V440 A441 L454 V457 F458 L469 F474	N433-L437 PolarHBondContact O-N 3.26Å; Q434-L437 PolarHBondContact O-N 3.15Å; L437-V440 PolarHBondContact O-N 3.41Å; L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.02Å; L437-L454 HydrophobicContact CB-CD2 4.28Å; L437-L454 HydrophobicContact CD2-CD2 3.82Å; L437-L454 HydrophobicContact CG-CD2 4.08Å; L437-V457 HydrophobicContact CD2-CG1 4.48Å; L437-F458 HydrophobicContact CB-CE2 4.12Å; L437-F458 HydrophobicContact CB-CZ 4.4Å; L437-F458 HydrophobicContact CD2-CE2 3.8Å; L437-L469 HydrophobicContact CD2-CD1 4.06Å; L437-F474 HydrophobicContact CD1-CE1 4.24Å; L437-F474 HydrophobicContact CD1-CZ 4.4Å; L437-F474 HydrophobicContact CD2-CZ 4.27Å
438	N	93.8	Very high	91.2	Very high	43 Å²	43	62.4 Å²	62.4	23%	0.23	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-41.9	176	-163.2	31.1	0	0	0	111.8	Q434 D435 V440 A441 S442 L449 L454	Q434-N438 PolarHBondContact O-N 2.84Å; D435-N438 PolarHBondContact O-N 3.26Å; N438-V440 PolarHBondContact O-N 3.27Å; N438-A441 PolarHBondContact O-N 2.98Å; N438-S442 WeakPolarHBondContact O-CB 3.28Å; N438-S442 PolarHBondContact O-N 3.01Å; N438-L449 PolarHBondContact OD1-N 2.77Å; N438-L449 VanDerWaalsContact OD1-N 3.12Å; N438-L454 HydrophobicContact CB-CD1 3.75Å
439	H	93.9	Very high	91.4	Very high	102 Å²	102	59.2 Å²	59.2	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-42.5	174.8	177.1	-99.4	0	0	0	111.8	Y425 D435 T436 S442 T443	Y425-H439 PolarHBondContact OH-CE1 3.48Å; Y425-H439 PolarHBondContact OH-ND1 2.92Å; D435-H439 VanDerWaalsContact O-CB 3.3Å; D435-H439 WeakPolarHBondContact O-CB 3.45Å; D435-H439 PolarHBondContact O-N 3.46Å; T436-H439 PolarHBondContact O-N 3.01Å; H439-S442 PolarHBondContact O-N 3.41Å; H439-T443 WeakPolarHBondContact O-CB 3.37Å; H439-T443 PolarHBondContact O-N 3.47Å; H439-T443 PolarHBondContact O-OG1 2.95Å
440	V	92.8	Very high	91.8	Very high	3 Å²	3	50 Å²	50	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-44.1	174.4	170.5	0	0	0	0	111	V418 A421 L422 Y425 T436 L437 N438 S442 T443 V444	V418-V440 HydrophobicContact CB-CG1 4.45Å; V418-V440 HydrophobicContact CG1-CG1 4.08Å; V418-V440 HydrophobicContact CG2-CG1 4.32Å; A421-V440 HydrophobicContact CB-CG1 3.86Å; A421-V440 HydrophobicContact CB-CG2 4.26Å; L422-V440 HydrophobicContact CD2-CG2 4.17Å; Y425-V440 HydrophobicContact CD2-CG2 4.1Å; Y425-V440 HydrophobicContact CE2-CG2 3.59Å; T436-V440 VanDerWaalsContact O-CG2 3.31Å; T436-V440 WeakPolarHBondContact O-CG2 3.46Å; T436-V440 PolarHBondContact O-N 2.96Å; L437-V440 PolarHBondContact O-N 3.41Å; N438-V440 PolarHBondContact O-N 3.27Å; V440-S442 VanDerWaalsContact C-N 3.34Å; V440-S442 PolarHBondContact O-N 2.95Å; V440-T443 PolarHBondContact O-N 3Å; V440-V444 HydrophobicContact CG1-CG2 4.21Å; V440-V444 WeakPolarHBondContact O-CB 3.47Å; V440-V444 WeakPolarHBondContact O-CG2 3.35Å; V440-V444 PolarHBondContact O-N 3.08Å
441	A	94	Very high	92.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-41.5	177.5	0	0	0	0	0	112.4	L411 L437 N438 A445 N446 L447 L449	L411-A441 HydrophobicContact CD1-CB 3.79Å; L411-A441 HydrophobicContact CD2-CB 4.12Å; L437-A441 WeakPolarHBondContact O-CB 3.42Å; L437-A441 PolarHBondContact O-N 3.02Å; N438-A441 PolarHBondContact O-N 2.98Å; A441-A445 WeakPolarHBondContact O-CA 3.25Å; A441-A445 WeakPolarHBondContact O-CB 3.25Å; A441-A445 PolarHBondContact O-N 3.28Å; A441-N446 PolarHBondContact O-N 3Å; A441-L447 CarbonylContact C-O 3.55Å; A441-L447 PolarHBondContact O-N 3.14Å; A441-L449 HydrophobicContact CB-CD1 3.94Å; A441-L449 HydrophobicContact CB-CG 3.99Å
442	S	94.5	Very high	92.6	Very high	37 Å²	37	51.9 Å²	51.9	26%	0.259	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-42.4	176.1	-177	0	0	0	0	111.7	N438 H439 V440 N446 L447 H448	N438-S442 WeakPolarHBondContact O-CB 3.28Å; N438-S442 PolarHBondContact O-N 3.01Å; H439-S442 PolarHBondContact O-N 3.41Å; V440-S442 VanDerWaalsContact C-N 3.34Å; V440-S442 PolarHBondContact O-N 2.95Å; S442-N446 VanDerWaalsContact O-CA 3.23Å; S442-N446 WeakPolarHBondContact O-CA 3.29Å; S442-N446 PolarHBondContact O-N 2.86Å; S442-N446 VanDerWaalsContact O-N 3.14Å; S442-L447 WeakPolarHBondContact CA-O 3.34Å; S442-L447 PolarHBondContact N-O 3.46Å; S442-L447 VanDerWaalsContact N-O 3.12Å; S442-H448 PolarHBondContact OG-CE1 3.37Å
443	T	93.5	Very high	93	Very high	93 Å²	93	51.5 Å²	51.5	57%	0.571	28%	0.283	S	S	*	.	H	α-helix	trans	-71.6	-42.1	-177.6	-54.5	0	0	0	0	112.7	H439 V440	H439-T443 WeakPolarHBondContact O-CB 3.37Å; H439-T443 PolarHBondContact O-N 3.47Å; H439-T443 PolarHBondContact O-OG1 2.95Å; V440-T443 PolarHBondContact O-N 3Å
444	V	91.8	Very high	93.2	Very high	40 Å²	40	49 Å²	49	24%	0.242	27%	0.269	C	S	.	.	H	α-helix	trans	-90.6	-38.3	-170.8	172.5	0	0	0	0	112.1	D417 V418 A421 V440	D417-V444 HydrophobicContact CB-CG1 3.35Å; V418-V444 HydrophobicContact CG2-CG1 4.13Å; A421-V444 HydrophobicContact CB-CG2 4.21Å; V440-V444 HydrophobicContact CG1-CG2 4.21Å; V440-V444 WeakPolarHBondContact O-CB 3.47Å; V440-V444 WeakPolarHBondContact O-CG2 3.35Å; V440-V444 PolarHBondContact O-N 3.08Å
445	A	90.2	Very high	93.2	Very high	9 Å²	9	47.9 Å²	47.9	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-116.5	-0.1	-172.3	0	0	0	0	0	113.6	H410 L411 A441 L447	H410-A445 PolarHBondContact CE1-O 3.41Å; L411-A445 HydrophobicContact CD1-CB 4.27Å; A441-A445 WeakPolarHBondContact O-CA 3.25Å; A441-A445 WeakPolarHBondContact O-CB 3.25Å; A441-A445 PolarHBondContact O-N 3.28Å; A445-L447 HydrophobicContact CB-CB 4.42Å; A445-L447 HydrophobicContact CB-CD1 3.88Å; A445-L447 HydrophobicContact CB-CG 3.97Å; A445-L447 PolarHBondContact O-N 3.49Å
446	N	93.1	Very high	93.3	Very high	142 Å²	142	41.6 Å²	41.6	76%	0.759	23%	0.231	S	C	*	.			trans	53.4	38.8	-172	-63.3	-48.1	0	0	0	112.6	A441 S442	A441-N446 PolarHBondContact O-N 3Å; S442-N446 VanDerWaalsContact O-CA 3.23Å; S442-N446 WeakPolarHBondContact O-CA 3.29Å; S442-N446 PolarHBondContact O-N 2.86Å; S442-N446 VanDerWaalsContact O-N 3.14Å
447	L	92.5	Very high	93.4	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.11	23%	0.225	C	C	.	.			trans	-115.9	142.2	-178.9	-68.1	176.5	0	0	0	111.9	D407 H410 L411 A441 S442 A445	D407-L447 HydrophobicContact CB-CD1 4.5Å; D407-L447 HydrophobicContact CB-CD2 4.45Å; D407-L447 WeakPolarHBondContact O-CD1 3.43Å; H410-L447 HydrophobicContact CB-CD1 3.95Å; H410-L447 VanDerWaalsContact ND1-CD1 3.27Å; H410-L447 WeakPolarHBondContact ND1-CD1 3.27Å; L411-L447 HydrophobicContact CB-CD1 4.32Å; A441-L447 CarbonylContact C-O 3.55Å; A441-L447 PolarHBondContact O-N 3.14Å; S442-L447 WeakPolarHBondContact CA-O 3.34Å; S442-L447 PolarHBondContact N-O 3.46Å; S442-L447 VanDerWaalsContact N-O 3.12Å; A445-L447 HydrophobicContact CB-CB 4.42Å; A445-L447 HydrophobicContact CB-CD1 3.88Å; A445-L447 HydrophobicContact CB-CG 3.97Å; A445-L447 PolarHBondContact O-N 3.49Å
448	H	92.8	Very high	93.5	Very high	141 Å²	141	40.9 Å²	40.9	65%	0.653	23%	0.226	S	C	*	.			trans	-107	106.5	167.2	-66.5	-66.6	0	0	0	108.6	S442	S442-H448 PolarHBondContact OG-CE1 3.37Å
449	L	94	Very high	93.4	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	22%	0.219	C	C	.	.			trans	-74.6	138.4	179.1	-65.4	-179.5	0	0	0	110	D407 F408 L411 N438 A441 L454	D407-L449 HydrophobicContact CB-CD2 4.37Å; F408-L449 HydrophobicContact CD2-CD1 4.24Å; F408-L449 HydrophobicContact CD2-CD2 4.38Å; L411-L449 HydrophobicContact CD2-CD1 3.8Å; N438-L449 PolarHBondContact OD1-N 2.77Å; N438-L449 VanDerWaalsContact OD1-N 3.12Å; A441-L449 HydrophobicContact CB-CD1 3.94Å; A441-L449 HydrophobicContact CB-CG 3.99Å; L449-L454 HydrophobicContact CB-CD1 4.25Å; L449-L454 HydrophobicContact CB-CD2 4.14Å; L449-L454 HydrophobicContact CB-CG 4.02Å; L449-L454 HydrophobicContact CD1-CD2 3.71Å; L449-L454 HydrophobicContact CD1-CG 4.47Å
450	S	94.1	Very high	93.3	Very high	39 Å²	39	34.6 Å²	34.6	27%	0.273	20%	0.197	S	C	.	.			trans	-58.5	135	173.7	172.8	0	0	0	0	110.4	D404 H452 V453 L454	D404-S450 VanDerWaalsContact OD1-CB 3.29Å; D404-S450 WeakPolarHBondContact OD1-CB 3.2Å; S450-H452 PolarHBondContact O-N 3.46Å; S450-H452 VanDerWaalsContact O-N 3.14Å; S450-H452 PolarHBondContact OG-N 3.24Å; S450-V453 PolarHBondContact O-N 3.17Å; S450-L454 PolarHBondContact O-N 3.25Å; S450-L454 VanDerWaalsContact O-N 3.15Å
451	P	94.5	Very high	93.2	Very high	100 Å²	100	34.8 Å²	34.8	65%	0.649	20%	0.197	S	C	*	.	H	α-helix	trans	-53	-34.9	175.5	-27.4	35	0	0	0	112.9	L454 D455	P451-L454 PolarHBondContact O-N 3.02Å; P451-D455 PolarHBondContact O-N 2.87Å
452	H	94.7	Very high	93	Very high	28 Å²	28	35.3 Å²	35.3	13%	0.13	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-43.3	177.2	-171	54.2	0	0	0	112.3	E361 F390 Q396 S450 L454 D455 V456	E361-H452 IonicContact OE1-CD2 2.97Å; E361-H452 IonicContact OE1-CE1 2.65Å; E361-H452 IonicContact OE1-NE2 3.67Å; E361-H452 PolarHBondContact OE1-NE2 3.08Å; F390-H452 AromaticContact CE1-CE1 3.8Å; Q396-H452 PolarHBondContact O-CE1 2.86Å; Q396-H452 VanDerWaalsContact O-CE1 3.27Å; S450-H452 PolarHBondContact O-N 3.46Å; S450-H452 VanDerWaalsContact O-N 3.14Å; S450-H452 PolarHBondContact OG-N 3.24Å; H452-L454 PolarHBondContact O-N 3.06Å; H452-D455 PolarHBondContact O-N 3.45Å; H452-V456 WeakPolarHBondContact O-CG2 3.43Å; H452-V456 PolarHBondContact O-N 2.88Å
453	V	94.9	Very high	92.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-43	178.7	176.6	0	0	0	0	110.6	F364 D404 F408 S450 D455 V456 V457	F364-V453 HydrophobicContact CE1-CG1 4.23Å; F364-V453 HydrophobicContact CZ-CG1 4.11Å; D404-V453 HydrophobicContact CB-CG2 3.61Å; F408-V453 HydrophobicContact CB-CG1 4.4Å; F408-V453 HydrophobicContact CD2-CG1 4Å; F408-V453 HydrophobicContact CG-CG1 4.37Å; S450-V453 PolarHBondContact O-N 3.17Å; V453-D455 VanDerWaalsContact C-N 3.31Å; V453-D455 PolarHBondContact O-N 2.91Å; V453-V456 PolarHBondContact O-N 3.4Å; V453-V457 HydrophobicContact CG1-CG2 4.36Å; V453-V457 WeakPolarHBondContact O-CB 3.22Å; V453-V457 VanDerWaalsContact O-CG2 3.23Å; V453-V457 WeakPolarHBondContact O-CG2 3.49Å; V453-V457 PolarHBondContact O-N 2.92Å
454	L	94	Very high	92.1	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-43.9	175.4	-68.8	169.3	0	0	0	110.8	Q434 L437 N438 L449 S450 P451 H452 V456 V457 F458	Q434-L454 HydrophobicContact CB-CB 4.48Å; Q434-L454 HydrophobicContact CG-CB 4.46Å; L437-L454 HydrophobicContact CB-CD2 4.28Å; L437-L454 HydrophobicContact CD2-CD2 3.82Å; L437-L454 HydrophobicContact CG-CD2 4.08Å; N438-L454 HydrophobicContact CB-CD1 3.75Å; L449-L454 HydrophobicContact CB-CD1 4.25Å; L449-L454 HydrophobicContact CB-CD2 4.14Å; L449-L454 HydrophobicContact CB-CG 4.02Å; L449-L454 HydrophobicContact CD1-CD2 3.71Å; L449-L454 HydrophobicContact CD1-CG 4.47Å; S450-L454 PolarHBondContact O-N 3.25Å; S450-L454 VanDerWaalsContact O-N 3.15Å; P451-L454 PolarHBondContact O-N 3.02Å; H452-L454 PolarHBondContact O-N 3.06Å; L454-V456 PolarHBondContact O-N 3.4Å; L454-V457 PolarHBondContact O-N 3.2Å; L454-F458 VanDerWaalsContact O-CD2 3.3Å; L454-F458 WeakPolarHBondContact O-CD2 3.34Å; L454-F458 PolarHBondContact O-N 3.45Å
455	D	93.8	Very high	91.6	Very high	39 Å²	39	42.8 Å²	42.8	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-40.7	179.9	-163.4	37.5	0	0	0	112.5	K389 F390 Q434 P451 H452 V453 T459	K389-D455 WeakPolarHBondContact CE-OD2 3.32Å; K389-D455 IonicContact NZ-OD1 3.04Å; K389-D455 PolarHBondContact NZ-OD1 2.95Å; K389-D455 IonicContact NZ-OD2 2.93Å; K389-D455 PolarHBondContact NZ-OD2 2.95Å; F390-D455 HydrophobicContact CZ-CB 4.49Å; F390-D455 WeakPolarHBondContact CZ-OD2 3.23Å; Q434-D455 PolarHBondContact NE2-OD1 3.47Å; P451-D455 PolarHBondContact O-N 2.87Å; H452-D455 PolarHBondContact O-N 3.45Å; V453-D455 VanDerWaalsContact C-N 3.31Å; V453-D455 PolarHBondContact O-N 2.91Å; D455-T459 VanDerWaalsContact O-CB 3.28Å; D455-T459 WeakPolarHBondContact O-CB 3.43Å; D455-T459 PolarHBondContact O-N 2.89Å; D455-T459 PolarHBondContact O-OG1 3.36Å
456	V	93.8	Very high	91.5	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-42.9	174.7	176.9	0	0	0	0	111.4	E361 F364 F390 I400 H452 V453 L454 T459 L460	E361-V456 HydrophobicContact CB-CG1 4.19Å; E361-V456 HydrophobicContact CB-CG2 4.06Å; E361-V456 HydrophobicContact CG-CG2 3.56Å; F364-V456 HydrophobicContact CD1-CG1 3.86Å; F364-V456 HydrophobicContact CE1-CG1 4.37Å; F390-V456 HydrophobicContact CD2-CG2 4.32Å; F390-V456 HydrophobicContact CE1-CG2 4.39Å; F390-V456 HydrophobicContact CE2-CB 4.43Å; F390-V456 HydrophobicContact CE2-CG2 3.79Å; F390-V456 HydrophobicContact CZ-CG2 3.82Å; I400-V456 HydrophobicContact CD1-CG1 4.43Å; I400-V456 HydrophobicContact CD1-CG2 4.43Å; H452-V456 WeakPolarHBondContact O-CG2 3.43Å; H452-V456 PolarHBondContact O-N 2.88Å; V453-V456 PolarHBondContact O-N 3.4Å; L454-V456 PolarHBondContact O-N 3.4Å; V456-T459 PolarHBondContact O-N 3.02Å; V456-L460 WeakPolarHBondContact O-CB 3.29Å; V456-L460 PolarHBondContact O-N 3.42Å
457	V	93.2	Very high	91	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-46.2	178.7	170.2	0	0	0	0	111.1	F364 L368 F408 L437 V453 L454 L460 F461 F474	F364-V457 HydrophobicContact CE1-CG2 4.07Å; L368-V457 HydrophobicContact CD1-CG2 4.3Å; F408-V457 HydrophobicContact CD2-CG2 4.4Å; F408-V457 HydrophobicContact CE2-CG1 4.48Å; F408-V457 HydrophobicContact CE2-CG2 3.69Å; F408-V457 HydrophobicContact CZ-CG1 4.37Å; F408-V457 HydrophobicContact CZ-CG2 3.75Å; L437-V457 HydrophobicContact CD2-CG1 4.48Å; V453-V457 HydrophobicContact CG1-CG2 4.36Å; V453-V457 WeakPolarHBondContact O-CB 3.22Å; V453-V457 VanDerWaalsContact O-CG2 3.23Å; V453-V457 WeakPolarHBondContact O-CG2 3.49Å; V453-V457 PolarHBondContact O-N 2.92Å; L454-V457 PolarHBondContact O-N 3.2Å; V457-L460 WeakPolarHBondContact O-CB 3.17Å; V457-L460 PolarHBondContact O-N 2.97Å; V457-L460 VanDerWaalsContact O-N 3.16Å; V457-F461 HydrophobicContact CG1-CD2 4Å; V457-F461 HydrophobicContact CG1-CE2 4.41Å; V457-F461 VanDerWaalsContact O-CD2 3.31Å; V457-F461 WeakPolarHBondContact O-CD2 3.48Å; V457-F461 PolarHBondContact O-N 3.47Å; V457-F461 VanDerWaalsContact O-N 3.1Å; V457-F474 HydrophobicContact CG1-CD2 4.48Å; V457-F474 HydrophobicContact CG1-CE2 3.69Å; V457-F474 HydrophobicContact CG1-CZ 4.47Å
458	F	92.8	Very high	90.7	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.031	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-45.2	176.9	-88.8	-108.3	0	0	0	110.9	I432 N433 Q434 L437 L454 L460 F461 D462 G467 L469	I432-F458 VanDerWaalsContact O-CE1 3.28Å; I432-F458 WeakPolarHBondContact O-CE1 3.46Å; I432-F458 WeakPolarHBondContact O-CZ 3.45Å; N433-F458 WeakPolarHBondContact O-CZ 3.47Å; Q434-F458 HydrophobicContact CB-CE2 4.22Å; Q434-F458 HydrophobicContact CB-CZ 4.4Å; Q434-F458 HydrophobicContact CG-CB 4.36Å; Q434-F458 HydrophobicContact CG-CD1 3.9Å; Q434-F458 HydrophobicContact CG-CD2 3.56Å; Q434-F458 HydrophobicContact CG-CE1 4.06Å; Q434-F458 HydrophobicContact CG-CE2 3.72Å; Q434-F458 HydrophobicContact CG-CG 3.65Å; Q434-F458 HydrophobicContact CG-CZ 3.99Å; L437-F458 HydrophobicContact CB-CE2 4.12Å; L437-F458 HydrophobicContact CB-CZ 4.4Å; L437-F458 HydrophobicContact CD2-CE2 3.8Å; L454-F458 VanDerWaalsContact O-CD2 3.3Å; L454-F458 WeakPolarHBondContact O-CD2 3.34Å; L454-F458 PolarHBondContact O-N 3.45Å; F458-L460 PolarHBondContact O-N 3.33Å; F458-L460 VanDerWaalsContact O-N 3.15Å; F458-F461 PolarHBondContact O-N 2.97Å; F458-D462 WeakPolarHBondContact O-CB 3.17Å; F458-D462 PolarHBondContact O-N 2.89Å; F458-G467 WeakPolarHBondContact CE1-O 3.39Å; F458-L469 HydrophobicContact CD1-CD1 4.39Å; F458-L469 HydrophobicContact CD1-CD2 4.37Å; F458-L469 HydrophobicContact CD1-CG 3.9Å; F458-L469 HydrophobicContact CD2-CD1 3.91Å; F458-L469 HydrophobicContact CD2-CG 4.26Å; F458-L469 HydrophobicContact CE1-CB 4.44Å; F458-L469 HydrophobicContact CE1-CD1 3.93Å; F458-L469 HydrophobicContact CE1-CG 3.57Å; F458-L469 HydrophobicContact CE2-CD1 3.4Å; F458-L469 HydrophobicContact CE2-CG 3.98Å; F458-L469 HydrophobicContact CG-CD1 4.38Å; F458-L469 HydrophobicContact CG-CD2 4.44Å; F458-L469 HydrophobicContact CG-CG 4.23Å; F458-L469 HydrophobicContact CZ-CD1 3.38Å; F458-L469 HydrophobicContact CZ-CG 3.6Å
459	T	92.5	Very high	90.3	Very high	13 Å²	13	37.5 Å²	37.5	8%	0.08	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-31.8	175.3	-54.5	0	0	0	0	112.7	V386 K389 F390 D455 V456	V386-T459 HydrophobicContact CG2-CG2 4.34Å; K389-T459 HydrophobicContact CB-CG2 3.97Å; K389-T459 HydrophobicContact CD-CG2 3.63Å; K389-T459 WeakPolarHBondContact CD-OG1 3.46Å; K389-T459 HydrophobicContact CG-CG2 4.46Å; K389-T459 PolarHBondContact NZ-OG1 3.14Å; F390-T459 HydrophobicContact CE2-CG2 4.25Å; D455-T459 VanDerWaalsContact O-CB 3.28Å; D455-T459 WeakPolarHBondContact O-CB 3.43Å; D455-T459 PolarHBondContact O-N 2.89Å; D455-T459 PolarHBondContact O-OG1 3.36Å; V456-T459 PolarHBondContact O-N 3.02Å
460	L	92.1	Very high	89.6	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-74.7	-39.7	179.6	-173.5	61	0	0	0	112.9	A365 L368 L369 M382 R385 V386 V456 V457 F458	A365-L460 HydrophobicContact CB-CD1 3.84Å; A365-L460 HydrophobicContact CB-CD2 3.91Å; A365-L460 HydrophobicContact CB-CG 4.46Å; L368-L460 HydrophobicContact CB-CD2 4.21Å; L368-L460 HydrophobicContact CD1-CD2 4.01Å; L369-L460 HydrophobicContact CD1-CD1 3.9Å; L369-L460 HydrophobicContact CD2-CD2 4.29Å; L369-L460 HydrophobicContact CG-CD1 4.4Å; L369-L460 HydrophobicContact CG-CD2 4.21Å; M382-L460 HydrophobicContact CB-CD1 4Å; M382-L460 HydrophobicContact CE-CD1 4.36Å; M382-L460 HydrophobicContact CE-CG 4.22Å; M382-L460 WeakPolarHBondContact CE-O 3.46Å; R385-L460 PolarHBondContact NH2-O 3.32Å; V386-L460 HydrophobicContact CG2-CB 4.21Å; V386-L460 HydrophobicContact CG2-CD1 3.82Å; V456-L460 WeakPolarHBondContact O-CB 3.29Å; V456-L460 PolarHBondContact O-N 3.42Å; V457-L460 WeakPolarHBondContact O-CB 3.17Å; V457-L460 PolarHBondContact O-N 2.97Å; V457-L460 VanDerWaalsContact O-N 3.16Å; F458-L460 PolarHBondContact O-N 3.33Å; F458-L460 VanDerWaalsContact O-N 3.15Å
461	F	90.1	Very high	88.8	Confident	7 Å²	7	39.9 Å²	39.9	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-109.3	-19.8	-168.7	-71	-70.4	0	0	0	115.6	L368 L369 M382 V457 F458 E463 L469 F474 V477 M478	L368-F461 HydrophobicContact CD1-CE2 4.43Å; L369-F461 HydrophobicContact CD2-CE1 4Å; L369-F461 HydrophobicContact CD2-CZ 4Å; M382-F461 HydrophobicContact CE-CD1 3.81Å; M382-F461 HydrophobicContact CE-CE1 3.87Å; V457-F461 HydrophobicContact CG1-CD2 4Å; V457-F461 HydrophobicContact CG1-CE2 4.41Å; V457-F461 VanDerWaalsContact O-CD2 3.31Å; V457-F461 WeakPolarHBondContact O-CD2 3.48Å; V457-F461 PolarHBondContact O-N 3.47Å; V457-F461 VanDerWaalsContact O-N 3.1Å; F458-F461 PolarHBondContact O-N 2.97Å; F461-E463 PolarHBondContact O-N 3.37Å; F461-E463 VanDerWaalsContact O-N 3.1Å; F461-L469 HydrophobicContact CB-CD2 3.4Å; F461-L469 VanDerWaalsContact CB-CD2 3.4Å; F461-L469 HydrophobicContact CG-CD2 4.5Å; F461-F474 AromaticContact CD2-CD2 3.8Å; F461-F474 HydrophobicContact CD2-CD2 3.8Å; F461-F474 HydrophobicContact CD2-CE2 4.16Å; F461-F474 HydrophobicContact CE2-CD2 4.17Å; F461-F474 HydrophobicContact CE2-CE2 4.31Å; F461-F474 HydrophobicContact CG-CD2 4.07Å; F461-V477 HydrophobicContact CE1-CB 3.95Å; F461-V477 HydrophobicContact CE1-CG1 3.77Å; F461-V477 HydrophobicContact CE1-CG2 4Å; F461-V477 HydrophobicContact CZ-CB 4.32Å; F461-V477 HydrophobicContact CZ-CG1 3.78Å; F461-M478 HydrophobicContact CD2-CE 4.19Å; F461-M478 HydrophobicContact CE1-CE 4.23Å; F461-M478 HydrophobicContact CE2-CE 3.15Å; F461-M478 HydrophobicContact CZ-CE 3.18Å
462	D	89.3	Confident	88	Confident	11 Å²	11	45.2 Å²	45.2	6%	0.059	23%	0.228	C	C	.	.			trans	-73.4	98	175.1	177.7	-4.5	0	0	0	109.4	R385 F458 N464 N465 D466 G467	R385-D462 PolarHBondContact NH1-O 3.31Å; F458-D462 WeakPolarHBondContact O-CB 3.17Å; F458-D462 PolarHBondContact O-N 2.89Å; D462-N464 PolarHBondContact OD1-N 3.08Å; D462-N464 PolarHBondContact OD1-OD1 3.42Å; D462-N464 VanDerWaalsContact OD1-OD1 3.04Å; D462-N465 VanDerWaalsContact CG-CA 3.49Å; D462-N465 VanDerWaalsContact OD1-CA 3.27Å; D462-N465 WeakPolarHBondContact OD1-CA 3.16Å; D462-N465 PolarHBondContact OD1-N 3.06Å; D462-N465 WeakPolarHBondContact OD2-CA 3.45Å; D462-D466 PolarHBondContact OD1-N 2.91Å; D462-D466 PolarHBondContact OD2-N 3.39Å; D462-G467 WeakPolarHBondContact OD2-CA 2.99Å; D462-G467 PolarHBondContact OD2-N 3.48Å
463	E	84.4	Confident	87.2	Confident	96 Å²	96	46.9 Å²	46.9	45%	0.449	24%	0.236	S	C	.	.	S	Bend	trans	-67.3	-31.5	-176.9	-68.9	-157.8	169.5	0	0	114.4	K378 F461	K378-E463 WeakPolarHBondContact CE-OE1 3.39Å; K378-E463 IonicContact NZ-OE1 3.15Å; K378-E463 PolarHBondContact NZ-OE1 2.96Å; F461-E463 PolarHBondContact O-N 3.37Å; F461-E463 VanDerWaalsContact O-N 3.1Å
464	N	85.2	Confident	86.8	Confident	107 Å²	107	47 Å²	47	57%	0.572	24%	0.236	S	C	*	.	S	Bend	trans	-106.7	-1.5	-171.7	52.4	-31.8	0	0	0	113.9	D462 D466	D462-N464 PolarHBondContact OD1-N 3.08Å; D462-N464 PolarHBondContact OD1-OD1 3.42Å; D462-N464 VanDerWaalsContact OD1-OD1 3.04Å; N464-D466 PolarHBondContact ND2-OD2 2.83Å; N464-D466 PolarHBondContact O-N 2.94Å; N464-D466 PolarHBondContact OD1-OD1 3.32Å
465	N	82.2	Confident	86.3	Confident	124 Å²	124	47.2 Å²	47.2	66%	0.663	24%	0.238	S	C	*	.	S	Bend	trans	56.4	34.7	-175.4	-52.7	-53.2	0	0	0	112.4	D462 G467	D462-N465 VanDerWaalsContact CG-CA 3.49Å; D462-N465 VanDerWaalsContact OD1-CA 3.27Å; D462-N465 WeakPolarHBondContact OD1-CA 3.16Å; D462-N465 PolarHBondContact OD1-N 3.06Å; D462-N465 WeakPolarHBondContact OD2-CA 3.45Å; N465-G467 VanDerWaalsContact C-N 3.31Å
466	D	86.7	Confident	85.9	Confident	76 Å²	76	46.8 Å²	46.8	41%	0.406	24%	0.242	S	C	.	.	S	Bend	trans	-88.6	-0.5	177.6	72.4	-3.2	0	0	0	113	D462 N464 Q468	D462-D466 PolarHBondContact OD1-N 2.91Å; D462-D466 PolarHBondContact OD2-N 3.39Å; N464-D466 PolarHBondContact ND2-OD2 2.83Å; N464-D466 PolarHBondContact O-N 2.94Å; N464-D466 PolarHBondContact OD1-OD1 3.32Å; D466-Q468 VanDerWaalsContact C-N 3.29Å; D466-Q468 WeakPolarHBondContact OD1-CA 3.35Å; D466-Q468 VanDerWaalsContact OD1-CB 3.26Å; D466-Q468 WeakPolarHBondContact OD1-CB 3.39Å; D466-Q468 PolarHBondContact OD1-N 2.8Å
467	G	84	Confident	85.5	Confident	35 Å²	35	46.9 Å²	46.9	36%	0.361	24%	0.243	S	C	.	.	S	Bend	trans	79.2	8.3	-176.9	0	0	0	0	0	113.7	F458 D462 N465	F458-G467 WeakPolarHBondContact CE1-O 3.39Å; D462-G467 WeakPolarHBondContact OD2-CA 2.99Å; D462-G467 PolarHBondContact OD2-N 3.48Å; N465-G467 VanDerWaalsContact C-N 3.31Å
468	Q	85	Confident	85.2	Confident	81 Å²	81	46.9 Å²	46.9	38%	0.379	24%	0.243	S	C	.	.			trans	-117	142.8	-176.5	-49.1	-173.1	15.7	0	0	111.5	S431 D466	S431-Q468 VanDerWaalsContact CB-OE1 3.31Å; D466-Q468 VanDerWaalsContact C-N 3.29Å; D466-Q468 WeakPolarHBondContact OD1-CA 3.35Å; D466-Q468 VanDerWaalsContact OD1-CB 3.26Å; D466-Q468 WeakPolarHBondContact OD1-CB 3.39Å; D466-Q468 PolarHBondContact OD1-N 2.8Å
469	L	84.6	Confident	84.9	Confident	10 Å²	10	53.1 Å²	53.1	5%	0.052	27%	0.266	C	S	.	.			trans	-90.2	127.3	174.1	-73.3	173.5	0	0	0	112	I432 L437 F458 F461 Y471 F474	I432-L469 HydrophobicContact CB-CB 4.32Å; I432-L469 HydrophobicContact CG2-CB 4.07Å; I432-L469 HydrophobicContact CG2-CD1 4.46Å; I432-L469 PolarHBondContact O-N 2.94Å; L437-L469 HydrophobicContact CD2-CD1 4.06Å; F458-L469 HydrophobicContact CD1-CD1 4.39Å; F458-L469 HydrophobicContact CD1-CD2 4.37Å; F458-L469 HydrophobicContact CD1-CG 3.9Å; F458-L469 HydrophobicContact CD2-CD1 3.91Å; F458-L469 HydrophobicContact CD2-CG 4.26Å; F458-L469 HydrophobicContact CE1-CB 4.44Å; F458-L469 HydrophobicContact CE1-CD1 3.93Å; F458-L469 HydrophobicContact CE1-CG 3.57Å; F458-L469 HydrophobicContact CE2-CD1 3.4Å; F458-L469 HydrophobicContact CE2-CG 3.98Å; F458-L469 HydrophobicContact CG-CD1 4.38Å; F458-L469 HydrophobicContact CG-CD2 4.44Å; F458-L469 HydrophobicContact CG-CG 4.23Å; F458-L469 HydrophobicContact CZ-CD1 3.38Å; F458-L469 HydrophobicContact CZ-CG 3.6Å; F461-L469 HydrophobicContact CB-CD2 3.4Å; F461-L469 VanDerWaalsContact CB-CD2 3.4Å; F461-L469 HydrophobicContact CG-CD2 4.5Å; L469-Y471 PolarHBondContact O-N 2.93Å; L469-F474 HydrophobicContact CD1-CD2 4.19Å; L469-F474 HydrophobicContact CD1-CE2 4.4Å; L469-F474 HydrophobicContact CD1-CG 4.34Å
470	S	79.4	Confident	84.5	Confident	47 Å²	47	55.2 Å²	55.2	33%	0.329	28%	0.275	S	S	.	.			trans	-60.6	103.3	162.4	161.9	0	0	0	0	110.1	R472 E473 F474	S470-R472 VanDerWaalsContact C-N 3.31Å; S470-R472 PolarHBondContact O-N 3.38Å; S470-E473 WeakPolarHBondContact CB-OE2 3.22Å; S470-E473 PolarHBondContact O-N 2.98Å; S470-E473 WeakPolarHBondContact OG-CB 3.41Å; S470-E473 VanDerWaalsContact OG-CG 3.3Å; S470-E473 WeakPolarHBondContact OG-CG 3.48Å; S470-E473 PolarHBondContact OG-N 3.45Å; S470-E473 PolarHBondContact OG-OE2 2.89Å; S470-F474 WeakPolarHBondContact O-CB 3.25Å; S470-F474 PolarHBondContact O-N 2.86Å
471	Y	78.1	Confident	84.4	Confident	49 Å²	49	56.1 Å²	56.1	19%	0.192	28%	0.278	C	S	.	.	H	α-helix	trans	-48.9	-49.1	-178.9	159.3	-106.5	0	0	0	112.6	D419 L422 T423 L469 E473 V475	D419-Y471 VanDerWaalsContact OD1-CE2 3.25Å; D419-Y471 WeakPolarHBondContact OD1-CE2 3.36Å; D419-Y471 VanDerWaalsContact OD1-CZ 3.25Å; D419-Y471 PolarHBondContact OD1-OH 3.01Å; L422-Y471 HydrophobicContact CB-CD2 3.76Å; L422-Y471 HydrophobicContact CB-CE2 4.04Å; T423-Y471 PolarHBondContact OG1-OH 2.77Å; T423-Y471 VanDerWaalsContact OG1-OH 3.09Å; L469-Y471 PolarHBondContact O-N 2.93Å; Y471-E473 PolarHBondContact O-N 2.94Å; Y471-V475 HydrophobicContact CD2-CG2 3.75Å; Y471-V475 HydrophobicContact CE2-CB 4.37Å; Y471-V475 HydrophobicContact CE2-CG2 3.7Å; Y471-V475 WeakPolarHBondContact O-CB 3.42Å; Y471-V475 WeakPolarHBondContact O-CG2 3.4Å; Y471-V475 PolarHBondContact O-N 2.72Å
472	R	77	Confident	84.1	Confident	212 Å²	212	57.5 Å²	57.5	80%	0.8	29%	0.286	S	S	*	.	H	α-helix	trans	-66.6	-39.2	-175.5	-71.9	-172.9	175.3	178.1	-0.8	112.6	S470 G476	S470-R472 VanDerWaalsContact C-N 3.31Å; S470-R472 PolarHBondContact O-N 3.38Å; R472-G476 PolarHBondContact O-N 2.8Å
473	E	78.2	Confident	83.9	Confident	64 Å²	64	58.3 Å²	58.3	30%	0.299	29%	0.29	S	S	.	.	H	α-helix	trans	-76.4	-42.6	-178.8	-68	-179	121.9	0	0	111.4	K378 S470 Y471 V477	K378-E473 IonicContact NZ-OE1 3.59Å; K378-E473 PolarHBondContact NZ-OE1 3.29Å; S470-E473 WeakPolarHBondContact CB-OE2 3.22Å; S470-E473 PolarHBondContact O-N 2.98Å; S470-E473 WeakPolarHBondContact OG-CB 3.41Å; S470-E473 VanDerWaalsContact OG-CG 3.3Å; S470-E473 WeakPolarHBondContact OG-CG 3.48Å; S470-E473 PolarHBondContact OG-N 3.45Å; S470-E473 PolarHBondContact OG-OE2 2.89Å; Y471-E473 PolarHBondContact O-N 2.94Å; E473-V477 WeakPolarHBondContact O-CB 3.44Å; E473-V477 WeakPolarHBondContact O-CG2 3.37Å; E473-V477 PolarHBondContact O-N 3.04Å; E473-V477 VanDerWaalsContact O-N 3.1Å
474	F	85.4	Confident	84	Confident	4 Å²	4	54.9 Å²	54.9	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-57.1	178.3	178.6	-104.3	0	0	0	111.5	L422 L437 V457 F461 L469 S470 G476 V477 M478	L422-F474 HydrophobicContact CD1-CD1 4.2Å; L422-F474 HydrophobicContact CD1-CE1 4.33Å; L437-F474 HydrophobicContact CD1-CE1 4.24Å; L437-F474 HydrophobicContact CD1-CZ 4.4Å; L437-F474 HydrophobicContact CD2-CZ 4.27Å; V457-F474 HydrophobicContact CG1-CD2 4.48Å; V457-F474 HydrophobicContact CG1-CE2 3.69Å; V457-F474 HydrophobicContact CG1-CZ 4.47Å; F461-F474 AromaticContact CD2-CD2 3.8Å; F461-F474 HydrophobicContact CD2-CD2 3.8Å; F461-F474 HydrophobicContact CD2-CE2 4.16Å; F461-F474 HydrophobicContact CE2-CD2 4.17Å; F461-F474 HydrophobicContact CE2-CE2 4.31Å; F461-F474 HydrophobicContact CG-CD2 4.07Å; L469-F474 HydrophobicContact CD1-CD2 4.19Å; L469-F474 HydrophobicContact CD1-CE2 4.4Å; L469-F474 HydrophobicContact CD1-CG 4.34Å; S470-F474 WeakPolarHBondContact O-CB 3.25Å; S470-F474 PolarHBondContact O-N 2.86Å; F474-G476 VanDerWaalsContact C-N 3.33Å; F474-G476 PolarHBondContact O-N 2.85Å; F474-V477 PolarHBondContact O-N 2.81Å; F474-M478 HydrophobicContact CD1-CG 4.48Å; F474-M478 HydrophobicContact CD2-CE 4.04Å; F474-M478 HydrophobicContact CD2-CG 4.27Å; F474-M478 HydrophobicContact CE1-CG 4.15Å; F474-M478 HydrophobicContact CE2-CE 3.68Å; F474-M478 HydrophobicContact CE2-CG 3.93Å; F474-M478 HydrophobicContact CE2-SD 4.45Å; F474-M478 HydrophobicContact CZ-CE 4.42Å; F474-M478 HydrophobicContact CZ-CG 3.86Å; F474-M478 WeakPolarHBondContact O-CB 3.32Å; F474-M478 VanDerWaalsContact O-CG 3.3Å; F474-M478 WeakPolarHBondContact O-CG 3.5Å; F474-M478 PolarHBondContact O-N 3Å
475	V	85.2	Confident	83.8	Confident	10 Å²	10	50.9 Å²	50.9	6%	0.061	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-39.1	-177.2	176.3	0	0	0	0	111.4	D419 L422 Y471 V477 M478 R479	D419-V475 HydrophobicContact CB-CG1 3.9Å; L422-V475 HydrophobicContact CD1-CG2 3.9Å; Y471-V475 HydrophobicContact CD2-CG2 3.75Å; Y471-V475 HydrophobicContact CE2-CB 4.37Å; Y471-V475 HydrophobicContact CE2-CG2 3.7Å; Y471-V475 WeakPolarHBondContact O-CB 3.42Å; Y471-V475 WeakPolarHBondContact O-CG2 3.4Å; Y471-V475 PolarHBondContact O-N 2.72Å; V475-V477 VanDerWaalsContact C-N 3.34Å; V475-V477 PolarHBondContact O-N 2.63Å; V475-M478 PolarHBondContact O-N 3.4Å; V475-R479 WeakPolarHBondContact O-CB 3.46Å; V475-R479 PolarHBondContact O-N 2.73Å
476	G	84.4	Confident	83.8	Confident	29 Å²	29	45.7 Å²	45.7	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-60.1	-41	176.9	0	0	0	0	0	113	R472 F474 H480	R472-G476 PolarHBondContact O-N 2.8Å; F474-G476 VanDerWaalsContact C-N 3.33Å; F474-G476 PolarHBondContact O-N 2.85Å; G476-H480 PolarHBondContact O-N 2.9Å; G476-H480 PolarHBondContact O-ND1 2.88Å
477	V	86.1	Confident	83.5	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-69.6	-45.1	175.9	171.7	0	0	0	0	111.4	L369 A372 F374 F461 E473 F474 V475 R479 H480 R481	L369-V477 HydrophobicContact CD2-CG1 4.32Å; A372-V477 HydrophobicContact CB-CG1 3.9Å; A372-V477 HydrophobicContact CB-CG2 4.15Å; F374-V477 HydrophobicContact CE1-CG2 4.03Å; F374-V477 HydrophobicContact CE2-CG2 3.57Å; F374-V477 HydrophobicContact CZ-CG2 3.14Å; F461-V477 HydrophobicContact CE1-CB 3.95Å; F461-V477 HydrophobicContact CE1-CG1 3.77Å; F461-V477 HydrophobicContact CE1-CG2 4Å; F461-V477 HydrophobicContact CZ-CB 4.32Å; F461-V477 HydrophobicContact CZ-CG1 3.78Å; E473-V477 WeakPolarHBondContact O-CB 3.44Å; E473-V477 WeakPolarHBondContact O-CG2 3.37Å; E473-V477 PolarHBondContact O-N 3.04Å; E473-V477 VanDerWaalsContact O-N 3.1Å; F474-V477 PolarHBondContact O-N 2.81Å; V475-V477 VanDerWaalsContact C-N 3.34Å; V475-V477 PolarHBondContact O-N 2.63Å; V477-R479 VanDerWaalsContact C-N 3.33Å; V477-R479 PolarHBondContact O-N 3.3Å; V477-H480 PolarHBondContact O-N 2.85Å; V477-R481 PolarHBondContact O-N 3.08Å
478	M	86.9	Confident	83.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-37.3	-177.9	-70.4	-45.7	144.9	0	0	112.8	L368 F408 L412 I415 F461 F474 V475 R481 L482	L368-M478 HydrophobicContact CD1-CE 4.42Å; F408-M478 HydrophobicContact CE1-SD 4.22Å; F408-M478 HydrophobicContact CZ-CE 4.47Å; F408-M478 HydrophobicContact CZ-SD 4.37Å; L412-M478 HydrophobicContact CD1-SD 4.11Å; L412-M478 HydrophobicContact CD2-CB 3.54Å; L412-M478 HydrophobicContact CD2-CG 3.52Å; L412-M478 HydrophobicContact CD2-SD 3.3Å; L412-M478 WeakPolarHBondContact CD2-SD 3.5Å; L412-M478 HydrophobicContact CG-SD 4.35Å; I415-M478 HydrophobicContact CD1-CB 3.63Å; I415-M478 HydrophobicContact CD1-CG 4.48Å; I415-M478 HydrophobicContact CG1-CB 4.1Å; F461-M478 HydrophobicContact CD2-CE 4.19Å; F461-M478 HydrophobicContact CE1-CE 4.23Å; F461-M478 HydrophobicContact CE2-CE 3.15Å; F461-M478 HydrophobicContact CZ-CE 3.18Å; F474-M478 HydrophobicContact CD1-CG 4.48Å; F474-M478 HydrophobicContact CD2-CE 4.04Å; F474-M478 HydrophobicContact CD2-CG 4.27Å; F474-M478 HydrophobicContact CE1-CG 4.15Å; F474-M478 HydrophobicContact CE2-CE 3.68Å; F474-M478 HydrophobicContact CE2-CG 3.93Å; F474-M478 HydrophobicContact CE2-SD 4.45Å; F474-M478 HydrophobicContact CZ-CE 4.42Å; F474-M478 HydrophobicContact CZ-CG 3.86Å; F474-M478 WeakPolarHBondContact O-CB 3.32Å; F474-M478 VanDerWaalsContact O-CG 3.3Å; F474-M478 WeakPolarHBondContact O-CG 3.5Å; F474-M478 PolarHBondContact O-N 3Å; V475-M478 PolarHBondContact O-N 3.4Å; M478-R481 PolarHBondContact O-N 3.29Å; M478-L482 PolarHBondContact O-N 2.94Å
479	R	85.7	Confident	83.1	Confident	138 Å²	138	47 Å²	47	52%	0.521	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-45	174.3	-170.2	176.3	-173.1	134.9	0.9	112.3	V475 V477 R481 L482 L483	V475-R479 WeakPolarHBondContact O-CB 3.46Å; V475-R479 PolarHBondContact O-N 2.73Å; V477-R479 VanDerWaalsContact C-N 3.33Å; V477-R479 PolarHBondContact O-N 3.3Å; R479-R481 VanDerWaalsContact C-N 3.3Å; R479-R481 PolarHBondContact O-N 2.89Å; R479-L482 PolarHBondContact O-N 3.25Å; R479-L483 PolarHBondContact O-N 2.71Å
480	H	85.4	Confident	82.8	Confident	57 Å²	57	46.9 Å²	46.9	26%	0.264	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-34.7	176.2	-71.2	128.2	0	0	0	112.4	G476 V477 R484 G485	G476-H480 PolarHBondContact O-N 2.9Å; G476-H480 PolarHBondContact O-ND1 2.88Å; V477-H480 PolarHBondContact O-N 2.85Å; H480-R484 PolarHBondContact O-N 3.21Å; H480-R484 VanDerWaalsContact O-N 3.08Å; H480-G485 PolarHBondContact O-N 2.84Å
481	R	88.2	Confident	82.7	Confident	18 Å²	18	47.9 Å²	47.9	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-47.4	173.8	-176.5	178.8	-173.9	-87.8	6.7	111.8	S367 Y371 S409 L412 V477 M478 R479 L483 R484	S367-R481 PolarHBondContact O-NE 3.47Å; Y371-R481 HydrophobicContact CD2-CG 4.36Å; S409-R481 PolarHBondContact OG-NH1 2.66Å; L412-R481 HydrophobicContact CD1-CG 4.49Å; V477-R481 PolarHBondContact O-N 3.08Å; M478-R481 PolarHBondContact O-N 3.29Å; R479-R481 VanDerWaalsContact C-N 3.3Å; R479-R481 PolarHBondContact O-N 2.89Å; R481-L483 VanDerWaalsContact C-N 3.3Å; R481-L483 PolarHBondContact O-N 3.04Å; R481-R484 PolarHBondContact O-N 3.22Å; R481-R484 VanDerWaalsContact O-N 3.09Å
482	L	85	Confident	82.6	Confident	36 Å²	36	52 Å²	52	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-56.1	-46.3	179.6	176.8	64.5	0	0	0	111.7	L412 R413 I415 M478 R479 R484	L412-L482 WeakPolarHBondContact O-CD2 3.16Å; R413-L482 HydrophobicContact CG-CD1 4.18Å; I415-L482 HydrophobicContact CG2-CD2 3.5Å; M478-L482 PolarHBondContact O-N 2.94Å; R479-L482 PolarHBondContact O-N 3.25Å; L482-R484 VanDerWaalsContact C-N 3.27Å; L482-R484 PolarHBondContact O-N 3.23Å
483	L	83.7	Confident	82.8	Confident	28 Å²	28	43.1 Å²	43.1	15%	0.147	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	2	-178.2	-60	174.6	0	0	0	113.3	R479 R481 G485 L486 D487	R479-L483 PolarHBondContact O-N 2.71Å; R481-L483 VanDerWaalsContact C-N 3.3Å; R481-L483 PolarHBondContact O-N 3.04Å; L483-G485 PolarHBondContact O-N 2.99Å; L483-L486 WeakPolarHBondContact O-CB 3.44Å; L483-L486 PolarHBondContact O-N 3.28Å; L483-D487 HydrophobicContact CB-CB 4.15Å; L483-D487 HydrophobicContact CD1-CB 3.75Å
484	R	87.2	Confident	83	Confident	24 Å²	24	45.8 Å²	45.8	9%	0.091	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	26.5	-179.8	-61.6	-178.6	175.9	82	-4.7	114.2	I344 E348 Y371 H480 R481 L482 L486	I344-R484 VanDerWaalsContact CG2-NH2 3.25Å; E348-R484 IonicContact OE1-CZ 3.72Å; E348-R484 IonicContact OE1-NE 2.7Å; E348-R484 PolarHBondContact OE1-NE 3Å; E348-R484 IonicContact OE1-NH2 2.81Å; Y371-R484 HydrophobicContact CD1-CB 4.05Å; Y371-R484 WeakPolarHBondContact CD1-O 3.48Å; Y371-R484 HydrophobicContact CE1-CB 3.73Å; Y371-R484 HydrophobicContact CE1-CG 4.31Å; Y371-R484 WeakPolarHBondContact CE1-O 3.47Å; Y371-R484 HydrophobicContact CE2-CB 4.4Å; Y371-R484 HydrophobicContact CE2-CG 4.14Å; Y371-R484 HydrophobicContact CG-CB 4.49Å; H480-R484 PolarHBondContact O-N 3.21Å; H480-R484 VanDerWaalsContact O-N 3.08Å; R481-R484 PolarHBondContact O-N 3.22Å; R481-R484 VanDerWaalsContact O-N 3.09Å; L482-R484 VanDerWaalsContact C-N 3.27Å; L482-R484 PolarHBondContact O-N 3.23Å; R484-L486 HydrophobicContact CB-CD1 4.49Å; R484-L486 HydrophobicContact CB-CG 4.38Å; R484-L486 PolarHBondContact O-N 3.31Å
485	G	81.1	Confident	83	Confident	23 Å²	23	51.1 Å²	51.1	24%	0.237	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	8.9	-174.3	0	0	0	0	0	115.8	H480 L483 D487	H480-G485 PolarHBondContact O-N 2.84Å; L483-G485 PolarHBondContact O-N 2.99Å; G485-D487 PolarHBondContact O-N 3.1Å
486	L	82.4	Confident	83	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.084	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.9	179.3	-62	175	0	0	0	113.1	I187 L249 L252 M292 L483 R484 K488	I187-L486 HydrophobicContact CG2-CD2 4.48Å; L249-L486 HydrophobicContact CD2-CD1 4.15Å; L249-L486 HydrophobicContact CD2-CD2 4.29Å; L252-L486 HydrophobicContact CB-CD1 4.45Å; M292-L486 HydrophobicContact CE-CD2 4.09Å; L483-L486 WeakPolarHBondContact O-CB 3.44Å; L483-L486 PolarHBondContact O-N 3.28Å; R484-L486 HydrophobicContact CB-CD1 4.49Å; R484-L486 HydrophobicContact CB-CG 4.38Å; R484-L486 PolarHBondContact O-N 3.31Å; L486-K488 VanDerWaalsContact C-N 3.35Å
487	D	81.2	Confident	83.2	Confident	70 Å²	70	62 Å²	62	37%	0.374	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-17.6	177.4	66.1	-37	0	0	0	113.2	L483 G485	L483-D487 HydrophobicContact CB-CB 4.15Å; L483-D487 HydrophobicContact CD1-CB 3.75Å; G485-D487 PolarHBondContact O-N 3.1Å
488	K	80.1	Confident	83.5	Confident	85 Å²	85	66.2 Å²	66.2	37%	0.37	34%	0.339	S	S	.	.	S	Bend	trans	-70.5	137	179.7	-66.9	-178.2	-178.9	174.4	0	110.5	A291 L486 M490	A291-K488 VanDerWaalsContact CB-O 3.3Å; A291-K488 WeakPolarHBondContact CB-O 3.48Å; L486-K488 VanDerWaalsContact C-N 3.35Å; K488-M490 PolarHBondContact O-N 3.01Å
489	P	79.4	Confident	83.7	Confident	65 Å²	65	69.8 Å²	69.8	42%	0.422	37%	0.365	S	S	.	.			trans	-63.7	131.2	174.2	27.4	-33.1	0	0	0	109.8	D491	P489-D491 PolarHBondContact O-N 3.33Å
490	M	78.1	Confident	84	Confident	6 Å²	6	65.6 Å²	65.6	3%	0.03	36%	0.359	C	S	.	.	S	Bend	trans	-76.6	3.5	175.9	-63.3	-69.5	-76.2	0	0	112.8	R151 A152 S154 I159 A291 M292 R295 K488	R151-M490 WeakPolarHBondContact O-CE 3.47Å; A152-M490 VanDerWaalsContact C-CE 3.48Å; S154-M490 WeakPolarHBondContact O-CE 3.47Å; I159-M490 HydrophobicContact CD1-CE 3.94Å; A291-M490 HydrophobicContact CB-CG 4.17Å; M292-M490 HydrophobicContact CE-CE 3.99Å; M292-M490 HydrophobicContact CE-CG 3.55Å; M292-M490 HydrophobicContact CE-SD 3.22Å; M292-M490 WeakPolarHBondContact CE-SD 3.5Å; M292-M490 HydrophobicContact SD-CE 4.02Å; M292-M490 HydrophobicContact SD-CG 4.04Å; M292-M490 HydrophobicContact SD-SD 4Å; R295-M490 HydrophobicContact CG-CB 3.52Å; R295-M490 HydrophobicContact CG-CG 4.15Å; R295-M490 PolarHBondContact NE-O 3.27Å; R295-M490 PolarHBondContact NH2-O 3.05Å; K488-M490 PolarHBondContact O-N 3.01Å
491	D	78	Confident	84.4	Confident	69 Å²	69	66.6 Å²	66.6	37%	0.369	37%	0.37	S	S	.	.	S	Bend	trans	-113.8	153.5	-172.9	-66.7	51.1	0	0	0	110.7	R295 P489 G493	R295-D491 WeakPolarHBondContact CD-OD1 3.16Å; R295-D491 IonicContact CZ-OD1 2.73Å; R295-D491 IonicContact CZ-OD2 3.92Å; R295-D491 IonicContact NE-OD1 2.94Å; R295-D491 PolarHBondContact NE-OD1 2.88Å; R295-D491 IonicContact NE-OD2 3.84Å; R295-D491 IonicContact NH1-OD1 2.66Å; R295-D491 PolarHBondContact NH1-OD1 3.3Å; R295-D491 IonicContact NH1-OD2 3.7Å; R295-D491 PolarHBondContact NH1-OD2 3.23Å; R295-D491 IonicContact NH2-OD1 3.47Å; R295-D491 PolarHBondContact NH2-OD1 2.91Å; R295-D491 IonicContact NH2-OD2 2.84Å; R295-D491 PolarHBondContact NH2-OD2 2.97Å; P489-D491 PolarHBondContact O-N 3.33Å; D491-G493 PolarHBondContact O-N 3Å
492	T	75.5	Confident	84.7	Confident	136 Å²	136	72.9 Å²	72.9	83%	0.834	40%	0.397	S	S	*	.			trans	-60	-11.7	173.9	57	0	0	0	0	113.2	F494	T492-F494 PolarHBondContact O-N 2.88Å
493	G	81	Confident	85.1	Confident	25 Å²	25	76.1 Å²	76.1	26%	0.258	41%	0.411	S	S	.	.			trans	72.2	-4	179.1	0	0	0	0	0	114.3	D491 V495 R496 L497	D491-G493 PolarHBondContact O-N 3Å; G493-V495 PolarHBondContact O-N 3.48Å; G493-R496 WeakPolarHBondContact O-CB 3.41Å; G493-R496 PolarHBondContact O-N 3.18Å; G493-R496 VanDerWaalsContact O-N 3.1Å; G493-L497 PolarHBondContact O-N 2.97Å
494	F	83.2	Confident	85.5	Confident	120 Å²	120	78.1 Å²	78.1	53%	0.526	43%	0.427	S	S	.	.	H	α-helix	trans	-58	-45.5	-174.5	-179.9	-105.6	0	0	0	113.3	T492 R496 L497 L498	T492-F494 PolarHBondContact O-N 2.88Å; F494-R496 VanDerWaalsContact C-N 3.33Å; F494-R496 PolarHBondContact O-N 3.24Å; F494-L497 WeakPolarHBondContact O-CB 3.39Å; F494-L497 PolarHBondContact O-N 2.9Å; F494-L498 HydrophobicContact CD1-CD1 3.89Å; F494-L498 HydrophobicContact CD1-CG 4.36Å; F494-L498 HydrophobicContact CE1-CD1 3.25Å; F494-L498 HydrophobicContact CE1-CG 3.96Å; F494-L498 HydrophobicContact CE2-CD1 4.31Å; F494-L498 HydrophobicContact CE2-CD2 4.39Å; F494-L498 HydrophobicContact CE2-CG 4.2Å; F494-L498 HydrophobicContact CZ-CD1 3.5Å; F494-L498 HydrophobicContact CZ-CD2 4.14Å; F494-L498 HydrophobicContact CZ-CG 3.87Å; F494-L498 PolarHBondContact O-N 3.08Å
495	V	84.9	Confident	85.8	Confident	115 Å²	115	80.2 Å²	80.2	70%	0.697	44%	0.442	S	S	*	.	H	α-helix	trans	-64.1	-38.6	177.6	178.4	0	0	0	0	111.5	G493 L498 S499	G493-V495 PolarHBondContact O-N 3.48Å; V495-L498 PolarHBondContact O-N 2.83Å; V495-S499 VanDerWaalsContact O-CB 3.3Å; V495-S499 WeakPolarHBondContact O-CB 3.39Å; V495-S499 PolarHBondContact O-N 3.38Å
496	R	85	Confident	86.4	Confident	157 Å²	157	85.8 Å²	85.8	59%	0.592	46%	0.46	S	S	*	.	H	α-helix	trans	-65.8	-40.7	175.3	-68.8	176.3	61.5	-172	-2.3	111.2	G493 F494 S499 A500	G493-R496 WeakPolarHBondContact O-CB 3.41Å; G493-R496 PolarHBondContact O-N 3.18Å; G493-R496 VanDerWaalsContact O-N 3.1Å; F494-R496 VanDerWaalsContact C-N 3.33Å; F494-R496 PolarHBondContact O-N 3.24Å; R496-S499 PolarHBondContact O-N 2.87Å; R496-A500 VanDerWaalsContact O-CB 3.29Å; R496-A500 WeakPolarHBondContact O-CB 3.34Å; R496-A500 PolarHBondContact O-N 2.75Å
497	L	88.7	Confident	86.7	Confident	111 Å²	111	89.9 Å²	89.9	58%	0.581	48%	0.479	S	S	*	.	H	α-helix	trans	-62.8	-49.8	175.8	-178.6	67.1	0	0	0	110.9	G493 F494 S499 A500 V501	G493-L497 PolarHBondContact O-N 2.97Å; F494-L497 WeakPolarHBondContact O-CB 3.39Å; F494-L497 PolarHBondContact O-N 2.9Å; L497-S499 VanDerWaalsContact C-N 3.34Å; L497-S499 PolarHBondContact O-N 2.82Å; L497-A500 PolarHBondContact O-N 2.82Å; L497-V501 HydrophobicContact CD1-CG2 4.47Å; L497-V501 WeakPolarHBondContact O-CB 3.32Å; L497-V501 VanDerWaalsContact O-CG2 3.28Å; L497-V501 WeakPolarHBondContact O-CG2 3.49Å; L497-V501 PolarHBondContact O-N 3.47Å
498	L	92.2	Very high	87.1	Confident	91 Å²	91	93.7 Å²	93.7	48%	0.476	49%	0.494	S	S	.	.	H	α-helix	trans	-59.7	-43.8	176.7	-74.7	-177.6	0	0	0	112.2	F494 V495 V501 F502	F494-L498 HydrophobicContact CD1-CD1 3.89Å; F494-L498 HydrophobicContact CD1-CG 4.36Å; F494-L498 HydrophobicContact CE1-CD1 3.25Å; F494-L498 HydrophobicContact CE1-CG 3.96Å; F494-L498 HydrophobicContact CE2-CD1 4.31Å; F494-L498 HydrophobicContact CE2-CD2 4.39Å; F494-L498 HydrophobicContact CE2-CG 4.2Å; F494-L498 HydrophobicContact CZ-CD1 3.5Å; F494-L498 HydrophobicContact CZ-CD2 4.14Å; F494-L498 HydrophobicContact CZ-CG 3.87Å; F494-L498 PolarHBondContact O-N 3.08Å; V495-L498 PolarHBondContact O-N 2.83Å; L498-V501 PolarHBondContact O-N 3.11Å; L498-F502 WeakPolarHBondContact O-CB 3.31Å; L498-F502 PolarHBondContact O-N 3.42Å
499	S	90.7	Very high	87.5	Confident	76 Å²	76	94.2 Å²	94.2	53%	0.531	50%	0.501	S	S	.	.	H	α-helix	trans	-63.4	-41.1	176.8	176.6	0	0	0	0	112	V495 R496 L497 F502 H503	V495-S499 VanDerWaalsContact O-CB 3.3Å; V495-S499 WeakPolarHBondContact O-CB 3.39Å; V495-S499 PolarHBondContact O-N 3.38Å; R496-S499 PolarHBondContact O-N 2.87Å; L497-S499 VanDerWaalsContact C-N 3.34Å; L497-S499 PolarHBondContact O-N 2.82Å; S499-F502 PolarHBondContact O-N 2.96Å; S499-H503 WeakPolarHBondContact O-CB 3.4Å; S499-H503 PolarHBondContact O-N 3.2Å
500	A	92.7	Very high	87.7	Confident	49 Å²	49	93.7 Å²	93.7	41%	0.405	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-45.5	175.6	0	0	0	0	0	111.6	R496 L497 F502 H503 C504	R496-A500 VanDerWaalsContact O-CB 3.29Å; R496-A500 WeakPolarHBondContact O-CB 3.34Å; R496-A500 PolarHBondContact O-N 2.75Å; L497-A500 PolarHBondContact O-N 2.82Å; A500-F502 VanDerWaalsContact C-N 3.32Å; A500-F502 PolarHBondContact O-N 3.19Å; A500-H503 PolarHBondContact O-N 3.4Å; A500-C504 WeakPolarHBondContact O-CB 3.49Å; A500-C504 PolarHBondContact O-N 2.84Å; A500-C504 PolarHBondContact O-SG 3.33Å
501	V	94.2	Very high	87.8	Confident	79 Å²	79	99 Å²	99	48%	0.479	53%	0.526	S	S	.	.	H	α-helix	trans	-58.8	-45.6	174.8	170.6	0	0	0	0	110.3	L497 L498 H503 C504 T505	L497-V501 HydrophobicContact CD1-CG2 4.47Å; L497-V501 WeakPolarHBondContact O-CB 3.32Å; L497-V501 VanDerWaalsContact O-CG2 3.28Å; L497-V501 WeakPolarHBondContact O-CG2 3.49Å; L497-V501 PolarHBondContact O-N 3.47Å; L498-V501 PolarHBondContact O-N 3.11Å; V501-H503 PolarHBondContact O-N 3.1Å; V501-C504 PolarHBondContact O-N 3.36Å; V501-T505 WeakPolarHBondContact O-CB 3.46Å; V501-T505 PolarHBondContact O-N 3.25Å; V501-T505 PolarHBondContact O-OG1 3.26Å
502	F	94.4	Very high	87.7	Confident	149 Å²	149	97.4 Å²	97.4	65%	0.654	53%	0.526	S	S	*	.	H	α-helix	trans	-61.4	-43.9	177.1	-178.7	-97.9	0	0	0	112.4	L498 S499 A500 T505 K506	L498-F502 WeakPolarHBondContact O-CB 3.31Å; L498-F502 PolarHBondContact O-N 3.42Å; S499-F502 PolarHBondContact O-N 2.96Å; A500-F502 VanDerWaalsContact C-N 3.32Å; A500-F502 PolarHBondContact O-N 3.19Å; F502-T505 PolarHBondContact O-N 3.37Å; F502-K506 WeakPolarHBondContact O-CB 3.44Å; F502-K506 PolarHBondContact O-N 3.36Å
503	H	92.5	Very high	87.6	Confident	104 Å²	104	95 Å²	95	48%	0.481	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-46.9	177.8	-165.5	-77.9	0	0	0	112	S499 A500 V501 T505 K506 E507	S499-H503 WeakPolarHBondContact O-CB 3.4Å; S499-H503 PolarHBondContact O-N 3.2Å; A500-H503 PolarHBondContact O-N 3.4Å; V501-H503 PolarHBondContact O-N 3.1Å; H503-T505 VanDerWaalsContact C-N 3.34Å; H503-T505 PolarHBondContact O-N 3.28Å; H503-K506 WeakPolarHBondContact O-CB 3.34Å; H503-K506 PolarHBondContact O-N 3.23Å; H503-E507 IonicContact CE1-OE1 3.04Å; H503-E507 PolarHBondContact CE1-OE1 2.8Å; H503-E507 VanDerWaalsContact CE1-OE1 3.23Å; H503-E507 IonicContact ND1-OE1 3.37Å; H503-E507 PolarHBondContact O-N 3.29Å
504	C	93.1	Very high	86.6	Confident	71 Å²	71	98.7 Å²	98.7	48%	0.48	52%	0.521	S	S	.	.	H	α-helix	trans	-60.5	-43	176.4	-69	0	0	0	0	111.7	A500 V501 E507 Q508	A500-C504 WeakPolarHBondContact O-CB 3.49Å; A500-C504 PolarHBondContact O-N 2.84Å; A500-C504 PolarHBondContact O-SG 3.33Å; V501-C504 PolarHBondContact O-N 3.36Å; C504-E507 PolarHBondContact O-N 3.04Å; C504-Q508 WeakPolarHBondContact O-CG 3.48Å; C504-Q508 PolarHBondContact O-N 3.09Å
505	T	93.8	Very high	85.5	Confident	67 Å²	67	97 Å²	97	41%	0.411	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-42.1	176.6	-61.2	0	0	0	0	111.3	V501 F502 H503 E507 Q508 I509	V501-T505 WeakPolarHBondContact O-CB 3.46Å; V501-T505 PolarHBondContact O-N 3.25Å; V501-T505 PolarHBondContact O-OG1 3.26Å; F502-T505 PolarHBondContact O-N 3.37Å; H503-T505 VanDerWaalsContact C-N 3.34Å; H503-T505 PolarHBondContact O-N 3.28Å; T505-E507 PolarHBondContact O-N 3Å; T505-Q508 PolarHBondContact O-N 2.68Å; T505-I509 HydrophobicContact CG2-CD1 3.79Å; T505-I509 HydrophobicContact CG2-CG1 4.39Å; T505-I509 WeakPolarHBondContact O-CB 3.31Å; T505-I509 VanDerWaalsContact O-CG1 3.24Å; T505-I509 WeakPolarHBondContact O-CG1 3.07Å; T505-I509 PolarHBondContact O-N 3.39Å
506	K	92.6	Very high	84.2	Confident	140 Å²	140	96.2 Å²	96.2	61%	0.609	52%	0.52	S	S	*	.	H	α-helix	trans	-60.9	-44.2	175.4	-176.2	-176.4	176	-174.7	0	111.6	F502 H503 I509 S510	F502-K506 WeakPolarHBondContact O-CB 3.44Å; F502-K506 PolarHBondContact O-N 3.36Å; H503-K506 WeakPolarHBondContact O-CB 3.34Å; H503-K506 PolarHBondContact O-N 3.23Å; K506-I509 PolarHBondContact O-N 3.45Å; K506-S510 WeakPolarHBondContact O-CB 3.26Å; K506-S510 PolarHBondContact O-N 3.43Å
507	E	89.6	Confident	82.8	Confident	102 Å²	102	97.5 Å²	97.5	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-46.4	175.6	-78.1	-173.9	162.3	0	0	111.7	H503 C504 T505 I509 S510 L511	H503-E507 IonicContact CE1-OE1 3.04Å; H503-E507 PolarHBondContact CE1-OE1 2.8Å; H503-E507 VanDerWaalsContact CE1-OE1 3.23Å; H503-E507 IonicContact ND1-OE1 3.37Å; H503-E507 PolarHBondContact O-N 3.29Å; C504-E507 PolarHBondContact O-N 3.04Å; T505-E507 PolarHBondContact O-N 3Å; E507-I509 PolarHBondContact O-N 3.31Å; E507-S510 PolarHBondContact O-N 2.8Å; E507-S510 VanDerWaalsContact O-N 3.15Å; E507-S510 PolarHBondContact O-OG 2.87Å; E507-L511 WeakPolarHBondContact O-CG 3.46Å; E507-L511 PolarHBondContact O-N 3.3Å
508	Q	89.1	Confident	81.1	Confident	150 Å²	150	101.4 Å²	101.4	70%	0.701	54%	0.538	S	S	*	.	H	α-helix	trans	-62	-40.2	177	-74.8	-157.7	-19.4	0	0	112.8	C504 T505 L511 G512	C504-Q508 WeakPolarHBondContact O-CG 3.48Å; C504-Q508 PolarHBondContact O-N 3.09Å; T505-Q508 PolarHBondContact O-N 2.68Å; Q508-L511 PolarHBondContact O-N 2.93Å; Q508-G512 PolarHBondContact O-N 3.26Å
509	I	88.2	Confident	79.1	Confident	97 Å²	97	100.4 Å²	100.4	50%	0.497	55%	0.55	S	S	.	.	H	α-helix	trans	-63.8	-42.8	173.9	-69.2	167.9	0	0	0	110.3	T505 K506 E507 L511 G512 I513	T505-I509 HydrophobicContact CG2-CD1 3.79Å; T505-I509 HydrophobicContact CG2-CG1 4.39Å; T505-I509 WeakPolarHBondContact O-CB 3.31Å; T505-I509 VanDerWaalsContact O-CG1 3.24Å; T505-I509 WeakPolarHBondContact O-CG1 3.07Å; T505-I509 PolarHBondContact O-N 3.39Å; K506-I509 PolarHBondContact O-N 3.45Å; E507-I509 PolarHBondContact O-N 3.31Å; I509-L511 VanDerWaalsContact C-N 3.34Å; I509-L511 PolarHBondContact O-N 2.96Å; I509-G512 PolarHBondContact O-N 2.82Å; I509-I513 HydrophobicContact CG2-CD1 3.62Å; I509-I513 HydrophobicContact CG2-CG1 4.25Å; I509-I513 WeakPolarHBondContact O-CB 3.32Å; I509-I513 VanDerWaalsContact O-CG1 3.27Å; I509-I513 WeakPolarHBondContact O-CG1 3.07Å; I509-I513 PolarHBondContact O-N 3.32Å
510	S	83.4	Confident	76.8	Confident	54 Å²	54	105.8 Å²	105.8	38%	0.378	58%	0.579	S	S	.	*	H	α-helix	trans	-63.9	-38.4	178	77.3	0	0	0	0	112.7	K506 E507 N514	K506-S510 WeakPolarHBondContact O-CB 3.26Å; K506-S510 PolarHBondContact O-N 3.43Å; E507-S510 PolarHBondContact O-N 2.8Å; E507-S510 VanDerWaalsContact O-N 3.15Å; E507-S510 PolarHBondContact O-OG 2.87Å; S510-N514 WeakPolarHBondContact O-CB 3.49Å; S510-N514 VanDerWaalsContact O-CG 3.29Å; S510-N514 PolarHBondContact O-N 2.99Å; S510-N514 PolarHBondContact O-ND2 2.85Å
511	L	81.2	Confident	76	Confident	118 Å²	118	108.7 Å²	108.7	62%	0.618	59%	0.588	S	S	*	*	H	α-helix	trans	-68.8	-39.5	174.2	-71.7	168.9	0	0	0	111.4	E507 Q508 I509 N514 S515	E507-L511 WeakPolarHBondContact O-CG 3.46Å; E507-L511 PolarHBondContact O-N 3.3Å; Q508-L511 PolarHBondContact O-N 2.93Å; I509-L511 VanDerWaalsContact C-N 3.34Å; I509-L511 PolarHBondContact O-N 2.96Å; L511-N514 PolarHBondContact O-N 2.78Å; L511-S515 VanDerWaalsContact O-CB 3.27Å; L511-S515 WeakPolarHBondContact O-CB 3.41Å; L511-S515 PolarHBondContact O-N 2.97Å
512	G	76.5	Confident	75	Confident	35 Å²	35	110.2 Å²	110.2	36%	0.361	59%	0.593	S	S	.	*	H	α-helix	trans	-63.7	-45.4	175.4	0	0	0	0	0	112.8	Q508 I509 S515 T516	Q508-G512 PolarHBondContact O-N 3.26Å; I509-G512 PolarHBondContact O-N 2.82Å; G512-S515 WeakPolarHBondContact O-CB 3.2Å; G512-S515 PolarHBondContact O-N 2.99Å; G512-T516 PolarHBondContact O-N 2.63Å; G512-T516 PolarHBondContact O-OG1 2.95Å
513	I	71.9	Confident	73.9	Confident	86 Å²	86	108.1 Å²	108.1	44%	0.441	59%	0.59	S	S	.	*	H	α-helix	trans	-64.6	-45.6	176.3	-66.5	169.1	0	0	0	110.1	I509 S515 T516 Y517	I509-I513 HydrophobicContact CG2-CD1 3.62Å; I509-I513 HydrophobicContact CG2-CG1 4.25Å; I509-I513 WeakPolarHBondContact O-CB 3.32Å; I509-I513 VanDerWaalsContact O-CG1 3.27Å; I509-I513 WeakPolarHBondContact O-CG1 3.07Å; I509-I513 PolarHBondContact O-N 3.32Å; I513-S515 VanDerWaalsContact C-N 3.29Å; I513-S515 PolarHBondContact O-N 3.24Å; I513-T516 PolarHBondContact O-N 3.08Å; I513-T516 VanDerWaalsContact O-N 3.08Å; I513-Y517 HydrophobicContact CG2-CD2 3.8Å; I513-Y517 HydrophobicContact CG2-CE2 3.89Å; I513-Y517 WeakPolarHBondContact O-CD2 3.22Å; I513-Y517 PolarHBondContact O-N 2.82Å
514	N	61.1	Low	72.8	Confident	102 Å²	102	108.3 Å²	108.3	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-65.9	-29.3	177.6	-76.5	-19.9	0	0	0	113.6	S510 L511 K518	S510-N514 WeakPolarHBondContact O-CB 3.49Å; S510-N514 VanDerWaalsContact O-CG 3.29Å; S510-N514 PolarHBondContact O-N 2.99Å; S510-N514 PolarHBondContact O-ND2 2.85Å; L511-N514 PolarHBondContact O-N 2.78Å; N514-K518 PolarHBondContact O-N 3.34Å
515	S	59.8	Low	71.6	Confident	85 Å²	85	110.6 Å²	110.6	59%	0.594	60%	0.604	S	S	*	*	H	α-helix	trans	-67.9	-37.7	171.2	167.1	0	0	0	0	111.7	L511 G512 I513 K518	L511-S515 VanDerWaalsContact O-CB 3.27Å; L511-S515 WeakPolarHBondContact O-CB 3.41Å; L511-S515 PolarHBondContact O-N 2.97Å; G512-S515 WeakPolarHBondContact O-CB 3.2Å; G512-S515 PolarHBondContact O-N 2.99Å; I513-S515 VanDerWaalsContact C-N 3.29Å; I513-S515 PolarHBondContact O-N 3.24Å; S515-K518 PolarHBondContact O-N 3.27Å
516	T	57.4	Low	70.1	Confident	98 Å²	98	113.5 Å²	113.5	60%	0.601	62%	0.617	S	S	*	*	H	α-helix	trans	-74.6	-30.7	-179.2	-40.9	0	0	0	0	111.8	G512 I513	G512-T516 PolarHBondContact O-N 2.63Å; G512-T516 PolarHBondContact O-OG1 2.95Å; I513-T516 PolarHBondContact O-N 3.08Å; I513-T516 VanDerWaalsContact O-N 3.08Å
517	Y	55.4	Low	68.5	Low	184 Å²	184	111.6 Å²	111.6	72%	0.722	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-9	176.9	-85.5	-83.1	0	0	0	115.2	I513	I513-Y517 HydrophobicContact CG2-CD2 3.8Å; I513-Y517 HydrophobicContact CG2-CE2 3.89Å; I513-Y517 WeakPolarHBondContact O-CD2 3.22Å; I513-Y517 PolarHBondContact O-N 2.82Å
518	K	54	Low	66.9	Low	193 Å²	193	112.4 Å²	112.4	84%	0.839	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	0.5	173.4	-79.2	-171.6	175.4	-176.8	0	113.9	N514 S515	N514-K518 PolarHBondContact O-N 3.34Å; S515-K518 PolarHBondContact O-N 3.27Å
519	G	49.4	Very low	65	Low	70 Å²	70	109.3 Å²	109.3	72%	0.722	62%	0.622	S	S	*	*			trans	-109.6	8.5	-179.1	0	0	0	0	0	115.2
520	V	41.9	Very low	62.9	Low	189 Å²	189	110.4 Å²	110.4	100%	1.145	63%	0.633	S	S	*	*			trans	-119.5	0	168.4	-174.6	0	0	0	0	107

Retrieved 520 of 520 residues in 226.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).