A0A3Q0KL85_SCHMA Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KL85, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 265 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	35	Very low	248 Å²	248	163.9 Å²	163.9	100%	1.222	83%	0.828	S	S	*	*				0	118.1	0	-80.2	178.8	153.9	0	0	108.7
2	S	34.2	Very low	35.1	Very low	106 Å²	106	160.1 Å²	160.1	74%	0.741	82%	0.823	S	S	*	*			trans	-61.7	158.5	179.3	-44.8	0	0	0	0	111.9
3	H	37.1	Very low	34.7	Very low	175 Å²	175	158.5 Å²	158.5	81%	0.81	82%	0.815	S	S	*	*			cis	-153.9	145.1	38.1	-99.8	-86.4	0	0	0	112
4	K	34.3	Very low	34.7	Very low	169 Å²	169	159.6 Å²	159.6	74%	0.735	82%	0.822	S	S	*	*			trans	-72.9	149.8	161.9	-68.2	169.9	173.3	175	0	110.8
5	Y	40.8	Very low	34.4	Very low	234 Å²	234	159.8 Å²	159.8	92%	0.918	82%	0.815	S	S	*	*			trans	-139	119.3	140	-97.2	-81.3	0	0	0	110.6
6	H	35	Very low	34	Very low	163 Å²	163	158.8 Å²	158.8	76%	0.755	81%	0.812	S	S	*	*			trans	-93.5	155.7	173.7	-99.8	-66.9	0	0	0	110.3
7	G	36.2	Very low	33.8	Very low	72 Å²	72	157 Å²	157	74%	0.742	81%	0.81	S	S	*	*			trans	159.3	82	156.6	0	0	0	0	0	111.5
8	K	36.7	Very low	33.6	Very low	181 Å²	181	154.9 Å²	154.9	79%	0.787	81%	0.812	S	S	*	*				55.2	115	84.7	-77.6	-170.2	179.6	179.7	0	115.2
9	N	32.2	Very low	33.3	Very low	150 Å²	150	153.9 Å²	153.9	80%	0.802	81%	0.813	S	S	*	*			trans	140.1	138.8	135.8	-79.4	-0.9	0	0	0	110.8
10	S	32.7	Very low	33.3	Very low	98 Å²	98	151.5 Å²	151.5	69%	0.685	81%	0.806	S	S	*	*			cis	175	108.1	-19.6	37.9	0	0	0	0	103.3
11	F	29.3	Very low	33	Very low	207 Å²	207	155 Å²	155	91%	0.908	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-88.3	129.3	170.3	-84.4	-89.5	0	0	0	109.2
12	P	36.3	Very low	32.7	Very low	118 Å²	118	154.7 Å²	154.7	77%	0.766	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-85.5	116.4	165	19.9	-6.6	0	0	0	110	L14	P12-L14 PolarHBondContact O-N 3.19Å
13	L	29.9	Very low	32.6	Very low	139 Å²	139	155.7 Å²	155.7	73%	0.728	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-55.6	123.6	156.3	-102.3	86.8	0	0	0	109.1	K15	L13-K15 HydrophobicContact CD2-CD 4.29Å; L13-K15 HydrophobicContact CD2-CG 4.35Å
14	L	34.4	Very low	32.2	Very low	174 Å²	174	156 Å²	156	91%	0.911	80%	0.795	S	S	*	*			trans	-107.8	96.3	156.2	-82.9	165.7	0	0	0	108.2	P12	P12-L14 PolarHBondContact O-N 3.19Å
15	K	30	Very low	31.8	Very low	163 Å²	163	154.1 Å²	154.1	71%	0.709	80%	0.802	S	S	*	*			trans	-88.3	151	157.9	-84.1	179.4	173.2	-179.9	0	108	L13	L13-K15 HydrophobicContact CD2-CD 4.29Å; L13-K15 HydrophobicContact CD2-CG 4.35Å
16	N	28.4	Very low	31.3	Very low	144 Å²	144	150.5 Å²	150.5	77%	0.77	79%	0.794	S	S	*	*			trans	82.5	132.4	171.3	-55.4	-8.5	0	0	0	113.1
17	T	29.6	Very low	31	Very low	128 Å²	128	148.2 Å²	148.2	79%	0.785	80%	0.796	S	S	*	*			cis	-174.2	159.1	24.3	7.5	0	0	0	0	110.2
18	S	31.2	Very low	30.7	Very low	120 Å²	120	152.7 Å²	152.7	84%	0.839	80%	0.801	S	S	*	*			trans	92.8	96.8	159.9	75.5	0	0	0	0	120
19	T	28.4	Very low	30.2	Very low	136 Å²	136	148.4 Å²	148.4	83%	0.834	79%	0.794	S	S	*	*			trans	-74.6	-176.7	148.6	48.4	0	0	0	0	110.7
20	P	32.5	Very low	30	Very low	104 Å²	104	149 Å²	149	68%	0.675	80%	0.796	S	S	*	*				-131.3	167.9	-56.3	37.1	-20.8	0	0	0	111.6
21	Y	28.2	Very low	29.9	Very low	226 Å²	226	149.1 Å²	149.1	89%	0.886	80%	0.795	S	S	*	*			trans	-126.6	106.6	156.2	-105.7	-90.7	0	0	0	110	V23	Y21-V23 PolarHBondContact O-N 3.42Å
22	R	29.5	Very low	29.8	Very low	242 Å²	242	146.6 Å²	146.6	91%	0.913	79%	0.791	S	S	*	*			trans	-69	113.8	160.2	-78.6	-175	173.5	-164.4	-0.8	107.1
23	V	31.4	Very low	29.6	Very low	127 Å²	127	153 Å²	153	77%	0.77	80%	0.8	S	S	*	*			trans	-94	112	161.8	-178.8	0	0	0	0	106.9	Y21 C25	Y21-V23 PolarHBondContact O-N 3.42Å; V23-C25 PolarHBondContact O-N 3.44Å
24	K	28.7	Very low	29.5	Very low	180 Å²	180	153.4 Å²	153.4	78%	0.783	80%	0.802	S	S	*	*			trans	-59.2	117.7	165.3	-86.2	176.6	168.8	-177.9	0	107.7	E26	K24-E26 PolarHBondContact O-N 3.29Å
25	C	27.6	Very low	29.5	Very low	131 Å²	131	153.6 Å²	153.6	89%	0.885	80%	0.798	S	S	*	*			trans	-80.5	105.3	156.3	-100	0	0	0	0	106.9	V23 S27	V23-C25 PolarHBondContact O-N 3.44Å; C25-S27 PolarHBondContact O-N 3Å
26	E	30.2	Very low	29.3	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	80%	0.802	S	S	*	*			trans	-71.8	118.9	162.5	-77.8	174.7	170.6	0	0	108.2	K24 I28	K24-E26 PolarHBondContact O-N 3.29Å; E26-I28 PolarHBondContact O-N 3.31Å
27	S	26.9	Very low	29.5	Very low	115 Å²	115	152.7 Å²	152.7	80%	0.804	81%	0.806	S	S	*	*			trans	-68.9	108.4	172	46.6	0	0	0	0	109.4	C25	C25-S27 PolarHBondContact O-N 3Å
28	I	30.8	Very low	29.4	Very low	165 Å²	165	149.4 Å²	149.4	85%	0.846	80%	0.798	S	S	*	*			trans	-94	104.7	163.9	-59.4	173.5	0	0	0	107	E26	E26-I28 PolarHBondContact O-N 3.31Å
29	S	26.2	Very low	29.3	Very low	91 Å²	91	155.5 Å²	155.5	64%	0.636	80%	0.804	S	S	*	*			trans	-84	147	165.3	48.6	0	0	0	0	110.6
30	L	29	Very low	29.4	Very low	162 Å²	162	152.7 Å²	152.7	85%	0.848	80%	0.802	S	S	*	*			trans	126.8	147.2	155	-71.4	155.7	0	0	0	113.2
31	P	30.2	Very low	29.3	Very low	102 Å²	102	154.2 Å²	154.2	66%	0.662	81%	0.809	S	S	*	*			cis	-126.6	162.8	-38.2	30.3	-12.7	0	0	0	112.3	W33	P31-W33 PolarHBondContact O-N 3.02Å
32	D	27.2	Very low	29.3	Very low	153 Å²	153	149.6 Å²	149.6	82%	0.818	81%	0.809	S	S	*	*			trans	-49.6	114.7	165.5	-84.2	-44.3	0	0	0	111
33	W	31	Very low	29.1	Very low	253 Å²	253	144 Å²	144	96%	0.958	81%	0.807	S	S	*	*			trans	-127	96.8	155	-99.2	23.6	0	0	0	108.8	P31	P31-W33 PolarHBondContact O-N 3.02Å
34	I	28.4	Very low	29.1	Very low	148 Å²	148	143.2 Å²	143.2	76%	0.759	81%	0.807	S	S	*	*			trans	-59.3	129.4	155.6	-63.2	164	0	0	0	107.3
35	Q	33.3	Very low	29.1	Very low	178 Å²	178	140 Å²	140	83%	0.832	80%	0.802	S	S	*	*				-177.9	110	129.1	-99	162.6	11.7	0	0	110.5
36	D	26.3	Very low	29.1	Very low	148 Å²	148	142.3 Å²	142.3	79%	0.791	80%	0.798	S	S	*	*				13.7	123.5	126.5	-126.4	-13	0	0	0	116.2
37	T	33.3	Very low	29.3	Very low	139 Å²	139	142.2 Å²	142.2	85%	0.853	80%	0.802	S	S	*	*				173.3	128.3	123.9	32.4	0	0	0	0	110.6
38	G	28	Very low	29.2	Very low	60 Å²	60	142.2 Å²	142.2	62%	0.619	80%	0.801	S	S	*	*			trans	-74.9	167.2	169.8	0	0	0	0	0	113
39	Y	28.2	Very low	29.2	Very low	248 Å²	248	143.2 Å²	143.2	97%	0.973	81%	0.808	S	S	*	*			trans	50.5	110.2	156.3	-68.8	-86.7	0	0	0	118.4
40	G	30.9	Very low	29.3	Very low	77 Å²	77	142.4 Å²	142.4	79%	0.794	81%	0.813	S	S	*	*			trans	178.6	100.5	162.3	0	0	0	0	0	112.6
41	T	29.6	Very low	29.2	Very low	135 Å²	135	142.1 Å²	142.1	83%	0.828	81%	0.812	S	S	*	*			trans	-51.1	144.7	165.3	40.6	0	0	0	0	112.6
42	C	28.9	Very low	29.4	Very low	130 Å²	130	143.3 Å²	143.3	88%	0.878	82%	0.817	S	S	*	*				176.7	134.9	128.2	-89.3	0	0	0	0	111.8
43	S	25.3	Very low	29.5	Very low	125 Å²	125	142 Å²	142	87%	0.874	82%	0.815	S	S	*	*			trans	-65.6	150.4	170	-69.5	0	0	0	0	112.5
44	S	31.6	Very low	29.5	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	81%	0.813	S	S	*	*			trans	-167.4	122.9	138.1	-176.5	0	0	0	0	111.1
45	T	27.3	Very low	29.6	Very low	112 Å²	112	141.8 Å²	141.8	69%	0.687	82%	0.819	S	S	*	*			trans	-46.2	145.7	155.9	31.7	0	0	0	0	112.9
46	F	29.5	Very low	29.4	Very low	180 Å²	180	139.7 Å²	139.7	79%	0.789	81%	0.813	S	S	*	*				167.8	142.5	117.2	-110.6	-100.7	0	0	0	112.8
47	L	33.4	Very low	29.7	Very low	157 Å²	157	140.2 Å²	140.2	82%	0.822	81%	0.814	S	S	*	*			trans	86.9	105.5	151.4	-58.5	162.7	0	0	0	121.2
48	S	25.5	Very low	29.6	Very low	114 Å²	114	142.7 Å²	142.7	80%	0.797	81%	0.813	S	S	*	*			trans	-83.6	141.3	153.7	-48.9	0	0	0	0	110.7
49	L	29.3	Very low	30	Very low	187 Å²	187	145.7 Å²	145.7	98%	0.979	82%	0.822	S	S	*	*			trans	-166.6	140.7	147.1	-141.5	80.7	0	0	0	111.1
50	G	29.5	Very low	30.1	Very low	73 Å²	73	142.5 Å²	142.5	75%	0.753	82%	0.816	S	S	*	*			trans	125.5	102.8	151.6	0	0	0	0	0	117
51	L	27.3	Very low	29.9	Very low	157 Å²	157	144.3 Å²	144.3	82%	0.822	82%	0.816	S	S	*	*			trans	-59.7	154.4	176.1	-79.4	81.5	0	0	0	115.1
52	T	32.9	Very low	30.1	Very low	126 Å²	126	144.3 Å²	144.3	77%	0.773	82%	0.816	S	S	*	*				173	102.1	114.6	33.1	0	0	0	0	109.3
53	T	29.5	Very low	30	Very low	126 Å²	126	141.2 Å²	141.2	77%	0.773	81%	0.806	S	S	*	*				51.8	87.7	109.6	48.7	0	0	0	0	116.7
54	E	31.1	Very low	30.3	Very low	195 Å²	195	141.7 Å²	141.7	91%	0.911	80%	0.803	S	S	*	*			trans	-140.2	118.6	137.6	-105.4	-176	170.1	0	0	108
55	K	31.3	Very low	30.2	Very low	202 Å²	202	143.8 Å²	143.8	88%	0.878	80%	0.801	S	S	*	*			trans	-76.1	120.9	175.2	-75.2	172.5	173.7	175.6	0	107.4
56	D	29	Very low	30.3	Very low	134 Å²	134	146.4 Å²	146.4	72%	0.717	81%	0.805	S	S	*	*			trans	-161.1	107.3	143.8	-94.1	-29.2	0	0	0	112.1
57	I	32.4	Very low	30.5	Very low	158 Å²	158	145.9 Å²	145.9	81%	0.81	80%	0.803	S	S	*	*			trans	50.6	70	141.7	-38.3	174.2	0	0	0	116.3
58	F	31	Very low	30.2	Very low	192 Å²	192	144.4 Å²	144.4	84%	0.842	80%	0.801	S	S	*	*			trans	-128.2	137.7	155.7	-85.4	-89.4	0	0	0	109.7	E60	F58-E60 PolarHBondContact O-N 2.85Å
59	P	36.1	Very low	30.3	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	80%	0.796	S	S	*	*			trans	-65.6	110.9	172.6	27.1	-30.1	0	0	0	108.7
60	E	30.1	Very low	30.7	Very low	182 Å²	182	138.9 Å²	138.9	85%	0.85	78%	0.784	S	S	*	*	S	Bend	trans	-43	139	165.7	-128.5	165.4	171.9	0	0	111.2	F58	F58-E60 PolarHBondContact O-N 2.85Å
61	S	28.4	Very low	30.7	Very low	114 Å²	114	147.6 Å²	147.6	80%	0.797	79%	0.794	S	S	*	*			trans	74.1	69.1	164.7	73.9	0	0	0	0	118.7
62	V	32.4	Very low	31.1	Very low	135 Å²	135	147.7 Å²	147.7	82%	0.818	80%	0.795	S	S	*	*			trans	-94	93.9	140	-177.5	0	0	0	0	106.4	V64	V62-V64 PolarHBondContact O-N 3.06Å
63	G	27.5	Very low	31.2	Very low	66 Å²	66	145.6 Å²	145.6	68%	0.68	79%	0.786	S	S	*	*			trans	-50.1	114.1	173.2	0	0	0	0	0	109.5	Q65	G63-Q65 PolarHBondContact O-N 2.82Å
64	V	31	Very low	31.6	Very low	134 Å²	134	146.3 Å²	146.3	81%	0.812	78%	0.784	S	S	*	*			trans	-68.7	87.3	170.5	179	0	0	0	0	105.8	V62 E66	V62-V64 PolarHBondContact O-N 3.06Å; V64-E66 PolarHBondContact O-N 2.91Å
65	Q	30	Very low	32.3	Very low	154 Å²	154	145.5 Å²	145.5	72%	0.72	77%	0.773	S	S	*	*			trans	-69.8	102.8	169.1	-160.3	171.5	40.9	0	0	106	G63 F67	G63-Q65 PolarHBondContact O-N 2.82Å; Q65-F67 VanDerWaalsContact C-N 3.3Å; Q65-F67 HydrophobicContact CG-CE2 4.43Å; Q65-F67 PolarHBondContact O-N 3.32Å
66	E	29.1	Very low	33.2	Very low	166 Å²	166	137.6 Å²	137.6	78%	0.776	75%	0.749	S	S	*	*			trans	-57	93.9	171.6	-74.8	-175.7	149.1	0	0	108.6	V64 T68	V64-E66 PolarHBondContact O-N 2.91Å; E66-T68 PolarHBondContact O-N 3.24Å
67	F	33.3	Very low	34.4	Very low	169 Å²	169	137.9 Å²	137.9	74%	0.741	74%	0.743	S	S	*	*			trans	-75.1	80.1	167.2	-99.6	-88.3	0	0	0	108.2	Q65 G69	Q65-F67 VanDerWaalsContact C-N 3.3Å; Q65-F67 HydrophobicContact CG-CE2 4.43Å; Q65-F67 PolarHBondContact O-N 3.32Å; F67-G69 PolarHBondContact O-N 3.43Å
68	T	27.7	Very low	35.7	Very low	127 Å²	127	139.4 Å²	139.4	78%	0.779	74%	0.739	S	S	*	*			trans	-61.1	118.1	159.2	44.8	0	0	0	0	108.6	E66	E66-T68 PolarHBondContact O-N 3.24Å
69	G	27.3	Very low	37.2	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	72%	0.721	S	S	*	*			trans	106.7	71.8	162.7	0	0	0	0	0	115.6	F67	F67-G69 PolarHBondContact O-N 3.43Å
70	T	37.5	Very low	38.5	Very low	116 Å²	116	130.8 Å²	130.8	71%	0.712	69%	0.686	S	S	*	*			trans	-158.5	117.4	143.1	8	0	0	0	0	107.2	N72	T70-N72 PolarHBondContact O-N 3.11Å; T70-N72 PolarHBondContact O-OD1 3.19Å
71	R	29.4	Very low	40.1	Very low	256 Å²	256	126.4 Å²	126.4	97%	0.966	67%	0.669	S	S	*	*			trans	-42.6	109.5	179.1	-87.2	174.9	158.8	162.5	-5.9	110.3	S73	R71-S73 VanDerWaalsContact C-N 3.33Å; R71-S73 PolarHBondContact O-N 3.12Å
72	N	36	Very low	42	Very low	159 Å²	159	126 Å²	126	85%	0.85	66%	0.657	S	S	*	*			trans	-60.3	95.3	175.5	-72.2	-24.4	0	0	0	108.7	T70 L74	T70-N72 PolarHBondContact O-N 3.11Å; T70-N72 PolarHBondContact O-OD1 3.19Å; N72-L74 PolarHBondContact O-N 3.04Å; N72-L74 VanDerWaalsContact O-N 3.07Å
73	S	35.1	Very low	43.7	Very low	83 Å²	83	120.2 Å²	120.2	58%	0.58	62%	0.621	S	S	*	*			trans	-55.1	117.3	169.7	-178.6	0	0	0	0	107.7	R71 R75 G76	R71-S73 VanDerWaalsContact C-N 3.33Å; R71-S73 PolarHBondContact O-N 3.12Å; S73-R75 PolarHBondContact O-N 3.07Å; S73-R75 VanDerWaalsContact OG-CB 3.25Å; S73-R75 WeakPolarHBondContact OG-CB 3.28Å; S73-G76 PolarHBondContact O-N 3.11Å
74	L	37.7	Very low	45.6	Very low	141 Å²	141	118.6 Å²	118.6	74%	0.738	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50	-9.9	173.5	-74.9	162.8	0	0	0	113.8	N72 G76 K77	N72-L74 PolarHBondContact O-N 3.04Å; N72-L74 VanDerWaalsContact O-N 3.07Å; L74-G76 PolarHBondContact O-N 3.39Å; L74-K77 PolarHBondContact O-N 3.04Å
75	R	45.2	Very low	47.5	Very low	178 Å²	178	114.6 Å²	114.6	67%	0.672	58%	0.58	S	S	*	*	H	α-helix	trans	-59.5	-27.1	171.5	-144.6	175.5	-160.1	-142	3.8	113.3	S73 R79	S73-R75 PolarHBondContact O-N 3.07Å; S73-R75 VanDerWaalsContact OG-CB 3.25Å; S73-R75 WeakPolarHBondContact OG-CB 3.28Å; R75-R79 WeakPolarHBondContact O-CD 3.33Å; R75-R79 VanDerWaalsContact O-CG 3.29Å; R75-R79 WeakPolarHBondContact O-CG 3.49Å
76	G	51.5	Low	49.4	Very low	36 Å²	36	109.6 Å²	109.6	37%	0.371	56%	0.558	S	S	.	*	H	α-helix	trans	-72.4	-47.6	175.5	0	0	0	0	0	113	S73 L74 R78 R79 V80	S73-G76 PolarHBondContact O-N 3.11Å; L74-G76 PolarHBondContact O-N 3.39Å; G76-R78 PolarHBondContact O-N 3.44Å; G76-R79 WeakPolarHBondContact O-CB 3.47Å; G76-R79 PolarHBondContact O-N 3.32Å; G76-R79 VanDerWaalsContact O-N 3.14Å; G76-V80 WeakPolarHBondContact O-CG2 3.5Å; G76-V80 PolarHBondContact O-N 2.92Å; G76-V80 VanDerWaalsContact O-N 3.13Å
77	K	54.7	Low	51.2	Low	139 Å²	139	103.5 Å²	103.5	60%	0.604	53%	0.53	S	S	*	.	H	α-helix	trans	-60.8	-48.7	-175.4	-164.7	172	-177.8	177.6	0	112.2	L74 R79 V80 D81	L74-K77 PolarHBondContact O-N 3.04Å; K77-R79 VanDerWaalsContact C-N 3.26Å; K77-R79 PolarHBondContact O-N 2.95Å; K77-V80 PolarHBondContact O-N 3.49Å; K77-V80 VanDerWaalsContact O-N 3.1Å; K77-D81 VanDerWaalsContact O-CG 3.24Å; K77-D81 PolarHBondContact O-N 3.07Å
78	R	59.6	Low	52.8	Low	191 Å²	191	99.7 Å²	99.7	72%	0.721	52%	0.524	S	S	*	.	H	α-helix	trans	-59.8	-34.2	176.5	-72.6	-171.6	179.6	-176.5	0.7	113.5	G76 I82	G76-R78 PolarHBondContact O-N 3.44Å; R78-I82 WeakPolarHBondContact O-CD1 3.33Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.36Å
79	R	62.6	Low	54.6	Low	123 Å²	123	102.4 Å²	102.4	46%	0.464	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-44.7	177.1	-75	173.9	174.4	-166.9	-3.7	110.5	R75 G76 K77 D81 I82 L83	R75-R79 WeakPolarHBondContact O-CD 3.33Å; R75-R79 VanDerWaalsContact O-CG 3.29Å; R75-R79 WeakPolarHBondContact O-CG 3.49Å; G76-R79 WeakPolarHBondContact O-CB 3.47Å; G76-R79 PolarHBondContact O-N 3.32Å; G76-R79 VanDerWaalsContact O-N 3.14Å; K77-R79 VanDerWaalsContact C-N 3.26Å; K77-R79 PolarHBondContact O-N 2.95Å; R79-D81 VanDerWaalsContact C-N 3.32Å; R79-D81 PolarHBondContact O-N 2.93Å; R79-I82 PolarHBondContact O-N 3.45Å; R79-L83 WeakPolarHBondContact O-CB 3.03Å; R79-L83 WeakPolarHBondContact O-CG 3.35Å; R79-L83 PolarHBondContact O-N 3.13Å
80	V	62	Low	56.4	Low	10 Å²	10	100 Å²	100	6%	0.061	50%	0.496	C	S	.	.	H	α-helix	trans	-62.8	-40.9	177.3	176.1	0	0	0	0	111	G76 K77 L83 S84 I111 V114 C115	G76-V80 WeakPolarHBondContact O-CG2 3.5Å; G76-V80 PolarHBondContact O-N 2.92Å; G76-V80 VanDerWaalsContact O-N 3.13Å; K77-V80 PolarHBondContact O-N 3.49Å; K77-V80 VanDerWaalsContact O-N 3.1Å; V80-L83 PolarHBondContact O-N 2.91Å; V80-S84 VanDerWaalsContact O-CB 3.28Å; V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.64Å; V80-S84 PolarHBondContact O-OG 3.14Å; V80-I111 HydrophobicContact CG2-CG1 4.29Å; V80-I111 HydrophobicContact CG2-CG2 4.44Å; V80-V114 HydrophobicContact CB-CG1 4.48Å; V80-V114 HydrophobicContact CG1-CG1 4.24Å; V80-V114 HydrophobicContact CG2-CB 4.29Å; V80-V114 HydrophobicContact CG2-CG1 4.05Å; V80-C115 HydrophobicContact CG1-CB 3.62Å
81	D	64	Low	57.6	Low	89 Å²	89	104.4 Å²	104.4	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-47	177.1	-60.1	-29.5	0	0	0	111.7	K77 R79 L83 S84 A85	K77-D81 VanDerWaalsContact O-CG 3.24Å; K77-D81 PolarHBondContact O-N 3.07Å; R79-D81 VanDerWaalsContact C-N 3.32Å; R79-D81 PolarHBondContact O-N 2.93Å; D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 3.34Å; D81-S84 PolarHBondContact O-N 3.32Å; D81-A85 WeakPolarHBondContact O-CB 3.49Å; D81-A85 PolarHBondContact O-N 3.25Å
82	I	68.3	Low	59.3	Low	107 Å²	107	96.2 Å²	96.2	55%	0.549	49%	0.488	S	S	.	.	H	α-helix	trans	-58.5	-47.2	176.8	-70	162.9	0	0	0	110.4	R78 R79 S84 A85 L86	R78-I82 WeakPolarHBondContact O-CD1 3.33Å; R78-I82 WeakPolarHBondContact O-CG1 3.37Å; R78-I82 PolarHBondContact O-N 3.36Å; R79-I82 PolarHBondContact O-N 3.45Å; I82-S84 VanDerWaalsContact C-N 3.32Å; I82-S84 PolarHBondContact O-N 2.93Å; I82-A85 PolarHBondContact O-N 2.98Å; I82-L86 HydrophobicContact CG2-CD1 4.29Å; I82-L86 WeakPolarHBondContact O-CG 3.35Å; I82-L86 PolarHBondContact O-N 3.26Å
83	L	68.6	Low	60.8	Low	13 Å²	13	90.5 Å²	90.5	7%	0.068	46%	0.456	C	S	.	.	H	α-helix	trans	-69	-34.5	-178.4	-63.7	169.6	0	0	0	111.8	R79 V80 D81 L86 M87 I99 L103 I111 W118	R79-L83 WeakPolarHBondContact O-CB 3.03Å; R79-L83 WeakPolarHBondContact O-CG 3.35Å; R79-L83 PolarHBondContact O-N 3.13Å; V80-L83 PolarHBondContact O-N 2.91Å; D81-L83 VanDerWaalsContact C-N 3.32Å; D81-L83 PolarHBondContact O-N 3.34Å; L83-L86 HydrophobicContact CD2-CD1 4.33Å; L83-L86 WeakPolarHBondContact O-CB 3.31Å; L83-L86 PolarHBondContact O-N 3.08Å; L83-M87 WeakPolarHBondContact O-CG 3.44Å; L83-M87 PolarHBondContact O-N 3.46Å; L83-I99 HydrophobicContact CD2-CB 4.37Å; L83-I99 HydrophobicContact CD2-CD1 4.22Å; L83-I99 HydrophobicContact CD2-CG2 3.52Å; L83-L103 HydrophobicContact CD1-CD1 4.28Å; L83-I111 HydrophobicContact CD1-CD1 3.64Å; L83-I111 HydrophobicContact CD1-CG1 4.39Å; L83-W118 HydrophobicContact CB-CH2 3.35Å; L83-W118 HydrophobicContact CB-CZ2 3.16Å; L83-W118 HydrophobicContact CD1-CH2 3.78Å; L83-W118 HydrophobicContact CD1-CZ2 4.25Å; L83-W118 HydrophobicContact CD1-CZ3 4.46Å; L83-W118 HydrophobicContact CD2-CH2 4.42Å; L83-W118 HydrophobicContact CG-CH2 4.05Å; L83-W118 HydrophobicContact CG-CZ2 4.28Å
84	S	67.1	Low	62.5	Low	32 Å²	32	91 Å²	91	22%	0.224	45%	0.446	C	S	.	.	H	α-helix	trans	-69	-36	176.2	-58	0	0	0	0	111.4	V80 D81 I82 L86 M87 S88 W118	V80-S84 VanDerWaalsContact O-CB 3.28Å; V80-S84 WeakPolarHBondContact O-CB 3.33Å; V80-S84 PolarHBondContact O-N 2.64Å; V80-S84 PolarHBondContact O-OG 3.14Å; D81-S84 PolarHBondContact O-N 3.32Å; I82-S84 VanDerWaalsContact C-N 3.32Å; I82-S84 PolarHBondContact O-N 2.93Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-M87 WeakPolarHBondContact O-CB 3.25Å; S84-M87 PolarHBondContact O-N 2.74Å; S84-S88 PolarHBondContact O-N 2.88Å; S84-W118 PolarHBondContact OG-NE1 2.8Å
85	A	70.1	Confident	64.1	Low	49 Å²	49	88.4 Å²	88.4	41%	0.405	43%	0.431	S	S	.	.	H	α-helix	trans	-66.8	-35.1	170.6	0	0	0	0	0	112	D81 I82 M87 S88 F89	D81-A85 WeakPolarHBondContact O-CB 3.49Å; D81-A85 PolarHBondContact O-N 3.25Å; I82-A85 PolarHBondContact O-N 2.98Å; A85-M87 VanDerWaalsContact C-N 3.32Å; A85-M87 PolarHBondContact O-N 3.34Å; A85-S88 PolarHBondContact O-N 3.48Å; A85-S88 PolarHBondContact O-OG 2.91Å; A85-F89 PolarHBondContact O-N 2.92Å; A85-F89 VanDerWaalsContact O-N 3.15Å
86	L	71	Confident	65.5	Low	49 Å²	49	80 Å²	80	26%	0.257	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-36.9	173.1	-73.8	170.4	0	0	0	111.8	I82 L83 S84 S88 F89 E90 I99	I82-L86 HydrophobicContact CG2-CD1 4.29Å; I82-L86 WeakPolarHBondContact O-CG 3.35Å; I82-L86 PolarHBondContact O-N 3.26Å; L83-L86 HydrophobicContact CD2-CD1 4.33Å; L83-L86 WeakPolarHBondContact O-CB 3.31Å; L83-L86 PolarHBondContact O-N 3.08Å; S84-L86 VanDerWaalsContact C-N 3.34Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.46Å; L86-F89 PolarHBondContact O-N 3.24Å; L86-E90 WeakPolarHBondContact O-CB 3.39Å; L86-E90 PolarHBondContact O-N 2.88Å; L86-I99 HydrophobicContact CD1-CD1 3.49Å; L86-I99 VanDerWaalsContact CD1-CD1 3.49Å
87	M	66.9	Low	66.5	Low	38 Å²	38	80.1 Å²	80.1	19%	0.187	39%	0.392	C	S	.	.	H	α-helix	trans	-62.8	-35	175.2	-75.3	-120.3	54.8	0	0	113.9	L83 S84 A85 L96 W118 L121	L83-M87 WeakPolarHBondContact O-CG 3.44Å; L83-M87 PolarHBondContact O-N 3.46Å; S84-M87 WeakPolarHBondContact O-CB 3.25Å; S84-M87 PolarHBondContact O-N 2.74Å; A85-M87 VanDerWaalsContact C-N 3.32Å; A85-M87 PolarHBondContact O-N 3.34Å; M87-L96 HydrophobicContact CE-CD2 3.47Å; M87-L96 VanDerWaalsContact CE-CD2 3.47Å; M87-L96 HydrophobicContact CG-CD1 3.91Å; M87-L96 HydrophobicContact CG-CD2 3.58Å; M87-L96 HydrophobicContact CG-CG 4.4Å; M87-L96 HydrophobicContact SD-CD2 3.44Å; M87-L96 WeakPolarHBondContact SD-CD2 3.4Å; M87-W118 HydrophobicContact CG-CZ2 4.2Å; M87-L121 HydrophobicContact CE-CD1 4.47Å; M87-L121 HydrophobicContact CE-CD2 3.75Å; M87-L121 HydrophobicContact CE-CG 4.02Å; M87-L121 HydrophobicContact CG-CD1 4.37Å; M87-L121 HydrophobicContact SD-CD1 3.25Å; M87-L121 WeakPolarHBondContact SD-CD1 3.31Å; M87-L121 HydrophobicContact SD-CD2 3.63Å; M87-L121 HydrophobicContact SD-CG 3.35Å; M87-L121 WeakPolarHBondContact SD-CG 3.48Å
88	S	67.2	Low	67.7	Low	90 Å²	90	77.8 Å²	77.8	63%	0.629	38%	0.382	S	S	*	.	H	α-helix	trans	-77.9	-33.3	178.2	59.4	0	0	0	0	112.5	S84 A85 L86	S84-S88 PolarHBondContact O-N 2.88Å; A85-S88 PolarHBondContact O-N 3.48Å; A85-S88 PolarHBondContact O-OG 2.91Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 3.46Å
89	F	65.3	Low	68.5	Low	183 Å²	183	71.2 Å²	71.2	80%	0.803	36%	0.36	S	S	*	.	H	α-helix	trans	-83	-37	179.8	-94.2	-90.1	0	0	0	113.6	A85 L86 K91	A85-F89 PolarHBondContact O-N 2.92Å; A85-F89 VanDerWaalsContact O-N 3.15Å; L86-F89 PolarHBondContact O-N 3.24Å; F89-K91 PolarHBondContact O-N 3.36Å
90	E	64.5	Low	69.2	Low	17 Å²	17	65.4 Å²	65.4	8%	0.079	34%	0.338	C	S	.	.			trans	-96.2	89.8	-169.4	-159.1	-158.2	178.6	0	0	112.5	L86 S92 E93 Y94 I95 L96	L86-E90 WeakPolarHBondContact O-CB 3.39Å; L86-E90 PolarHBondContact O-N 2.88Å; E90-S92 VanDerWaalsContact CG-OG 3.29Å; E90-S92 WeakPolarHBondContact CG-OG 3.35Å; E90-S92 PolarHBondContact O-N 3.27Å; E90-S92 PolarHBondContact OE1-OG 3.36Å; E90-E93 PolarHBondContact O-N 2.87Å; E90-Y94 VanDerWaalsContact CD-N 3.34Å; E90-Y94 WeakPolarHBondContact OE1-CA 3.45Å; E90-Y94 WeakPolarHBondContact OE1-CB 3.21Å; E90-Y94 PolarHBondContact OE1-N 3.49Å; E90-Y94 PolarHBondContact OE2-N 3.24Å; E90-I95 VanDerWaalsContact CD-CB 3.49Å; E90-I95 HydrophobicContact CG-CD1 4.3Å; E90-I95 WeakPolarHBondContact OE1-CG1 3.28Å; E90-I95 PolarHBondContact OE1-N 3.39Å; E90-I95 WeakPolarHBondContact OE2-CA 3.48Å; E90-I95 WeakPolarHBondContact OE2-CB 3.44Å; E90-I95 PolarHBondContact OE2-N 3.4Å; E90-L96 PolarHBondContact OE2-N 3.44Å
91	K	62.6	Low	69.9	Low	209 Å²	209	73.3 Å²	73.3	91%	0.909	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.1	174.3	-64.9	-176	-179.7	179.7	0	113.7	F89	F89-K91 PolarHBondContact O-N 3.36Å
92	S	64.6	Low	70.6	Confident	85 Å²	85	79.2 Å²	79.2	59%	0.594	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.4	-179	45.1	0	0	0	0	114.4	E90 Y94	E90-S92 VanDerWaalsContact CG-OG 3.29Å; E90-S92 WeakPolarHBondContact CG-OG 3.35Å; E90-S92 PolarHBondContact O-N 3.27Å; E90-S92 PolarHBondContact OE1-OG 3.36Å; S92-Y94 PolarHBondContact O-N 3.31Å
93	E	68.8	Low	70.9	Confident	39 Å²	39	75.5 Å²	75.5	18%	0.182	37%	0.365	C	S	.	.			trans	55.5	6.7	-176	-48.3	-173.3	132.5	0	0	115.4	E90 L97 R124 F125	E90-E93 PolarHBondContact O-N 2.87Å; E93-L97 VanDerWaalsContact O-CB 3.26Å; E93-L97 WeakPolarHBondContact O-CB 3.41Å; E93-L97 WeakPolarHBondContact O-CG 3.17Å; E93-L97 PolarHBondContact O-N 2.71Å; E93-R124 WeakPolarHBondContact OE1-CD 3.38Å; E93-R124 IonicContact OE1-CZ 3.49Å; E93-R124 IonicContact OE1-NE 3.63Å; E93-R124 IonicContact OE1-NH1 2.64Å; E93-R124 PolarHBondContact OE1-NH1 2.9Å; E93-F125 HydrophobicContact CB-CE2 4.21Å; E93-F125 HydrophobicContact CB-CZ 3.98Å; E93-F125 WeakPolarHBondContact OE2-CZ 3.18Å
94	Y	70.5	Confident	71.2	Confident	94 Å²	94	78.6 Å²	78.6	37%	0.369	39%	0.385	S	S	.	.	H	α-helix	trans	-74.8	-47.1	-170	173.3	-90.7	0	0	0	112.5	E90 S92 L96 L97 K98 E179	E90-Y94 VanDerWaalsContact CD-N 3.34Å; E90-Y94 WeakPolarHBondContact OE1-CA 3.45Å; E90-Y94 WeakPolarHBondContact OE1-CB 3.21Å; E90-Y94 PolarHBondContact OE1-N 3.49Å; E90-Y94 PolarHBondContact OE2-N 3.24Å; S92-Y94 PolarHBondContact O-N 3.31Å; Y94-L96 VanDerWaalsContact C-N 3.31Å; Y94-L97 WeakPolarHBondContact O-CB 3.09Å; Y94-L97 PolarHBondContact O-N 3.1Å; Y94-K98 HydrophobicContact CD1-CD 4.44Å; Y94-K98 HydrophobicContact CE1-CD 3.76Å; Y94-K98 VanDerWaalsContact CZ-CE 3.41Å; Y94-K98 PolarHBondContact O-N 3.23Å; Y94-K98 WeakPolarHBondContact OH-CE 3.25Å; Y94-K98 PolarHBondContact OH-NZ 2.84Å; Y94-E179 VanDerWaalsContact OH-CD 3.28Å; Y94-E179 PolarHBondContact OH-OE1 3.21Å; Y94-E179 PolarHBondContact OH-OE2 3.28Å; Y94-E179 VanDerWaalsContact OH-OE2 3.11Å
95	I	71.9	Confident	71.5	Confident	85 Å²	85	78.8 Å²	78.8	44%	0.436	38%	0.383	S	S	.	.	H	α-helix	trans	-64.2	-44.6	175	-57.8	165.4	0	0	0	108.2	E90 L97 K98 I99	E90-I95 VanDerWaalsContact CD-CB 3.49Å; E90-I95 HydrophobicContact CG-CD1 4.3Å; E90-I95 WeakPolarHBondContact OE1-CG1 3.28Å; E90-I95 PolarHBondContact OE1-N 3.39Å; E90-I95 WeakPolarHBondContact OE2-CA 3.48Å; E90-I95 WeakPolarHBondContact OE2-CB 3.44Å; E90-I95 PolarHBondContact OE2-N 3.4Å; I95-L97 PolarHBondContact O-N 3.13Å; I95-K98 PolarHBondContact O-N 3.14Å; I95-I99 HydrophobicContact CG2-CD1 3.79Å; I95-I99 HydrophobicContact CG2-CG1 4.38Å; I95-I99 VanDerWaalsContact O-CG1 3.27Å; I95-I99 WeakPolarHBondContact O-CG1 3.31Å; I95-I99 PolarHBondContact O-N 3.05Å
96	L	74.1	Confident	71.5	Confident	1 Å²	1	79 Å²	79	1%	0.005	38%	0.381	C	S	.	.	H	α-helix	trans	-57.9	-45.8	175.4	-174.7	69.6	0	0	0	112.3	M87 E90 Y94 I99 L100 W118 L121	M87-L96 HydrophobicContact CE-CD2 3.47Å; M87-L96 VanDerWaalsContact CE-CD2 3.47Å; M87-L96 HydrophobicContact CG-CD1 3.91Å; M87-L96 HydrophobicContact CG-CD2 3.58Å; M87-L96 HydrophobicContact CG-CG 4.4Å; M87-L96 HydrophobicContact SD-CD2 3.44Å; M87-L96 WeakPolarHBondContact SD-CD2 3.4Å; E90-L96 PolarHBondContact OE2-N 3.44Å; Y94-L96 VanDerWaalsContact C-N 3.31Å; L96-I99 PolarHBondContact O-N 2.95Å; L96-L100 HydrophobicContact CG-CD1 4.21Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.49Å; L96-W118 HydrophobicContact CD1-CH2 3.76Å; L96-W118 HydrophobicContact CD1-CZ2 4.38Å; L96-L121 HydrophobicContact CD2-CD1 4.1Å; L96-L121 HydrophobicContact CD2-CD2 3.4Å; L96-L121 VanDerWaalsContact CD2-CD2 3.4Å; L96-L121 HydrophobicContact CD2-CG 4.28Å; L96-L121 HydrophobicContact CG-CD2 4.37Å
97	L	72.5	Confident	71.6	Confident	39 Å²	39	79.3 Å²	79.3	20%	0.204	38%	0.384	C	S	.	.	H	α-helix	trans	-60	-44.1	174.2	-83.3	173.5	0	0	0	112.4	E93 Y94 I95 I99 L100 R101 F125 L128	E93-L97 VanDerWaalsContact O-CB 3.26Å; E93-L97 WeakPolarHBondContact O-CB 3.41Å; E93-L97 WeakPolarHBondContact O-CG 3.17Å; E93-L97 PolarHBondContact O-N 2.71Å; Y94-L97 WeakPolarHBondContact O-CB 3.09Å; Y94-L97 PolarHBondContact O-N 3.1Å; I95-L97 PolarHBondContact O-N 3.13Å; L97-I99 VanDerWaalsContact C-N 3.35Å; L97-L100 PolarHBondContact O-N 3.01Å; L97-R101 WeakPolarHBondContact O-CB 3.44Å; L97-R101 VanDerWaalsContact O-CG 3.31Å; L97-R101 WeakPolarHBondContact O-CG 3.22Å; L97-R101 PolarHBondContact O-N 2.81Å; L97-F125 HydrophobicContact CD1-CE1 3.76Å; L97-F125 HydrophobicContact CD1-CZ 3.72Å; L97-F125 HydrophobicContact CD2-CD1 3.59Å; L97-F125 HydrophobicContact CD2-CD2 3.85Å; L97-F125 HydrophobicContact CD2-CE1 3.55Å; L97-F125 HydrophobicContact CD2-CE2 3.81Å; L97-F125 HydrophobicContact CD2-CG 3.72Å; L97-F125 HydrophobicContact CD2-CZ 3.64Å; L97-F125 HydrophobicContact CG-CD1 4.48Å; L97-F125 HydrophobicContact CG-CE1 3.96Å; L97-F125 HydrophobicContact CG-CE2 4.02Å; L97-F125 HydrophobicContact CG-CZ 3.68Å; L97-L128 HydrophobicContact CD2-CD1 3.54Å
98	K	79.2	Confident	71.8	Confident	91 Å²	91	79 Å²	79	40%	0.396	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-43.5	176.3	-83.7	-171.3	168.4	178.5	0	111.3	Y94 I95 R101 Y102 E179	Y94-K98 HydrophobicContact CD1-CD 4.44Å; Y94-K98 HydrophobicContact CE1-CD 3.76Å; Y94-K98 VanDerWaalsContact CZ-CE 3.41Å; Y94-K98 PolarHBondContact O-N 3.23Å; Y94-K98 WeakPolarHBondContact OH-CE 3.25Å; Y94-K98 PolarHBondContact OH-NZ 2.84Å; I95-K98 PolarHBondContact O-N 3.14Å; K98-R101 PolarHBondContact O-N 2.79Å; K98-Y102 PolarHBondContact O-N 3.46Å; K98-E179 IonicContact NZ-OE2 3.12Å; K98-E179 PolarHBondContact NZ-OE2 3.18Å
99	I	77.9	Confident	72.1	Confident	52 Å²	52	79.1 Å²	79.1	27%	0.267	37%	0.373	S	S	.	.	H	α-helix	trans	-66.3	-47.9	177.9	-64.6	163.6	0	0	0	110.6	L83 L86 I95 L96 L97 R101 Y102 L103	L83-I99 HydrophobicContact CD2-CB 4.37Å; L83-I99 HydrophobicContact CD2-CD1 4.22Å; L83-I99 HydrophobicContact CD2-CG2 3.52Å; L86-I99 HydrophobicContact CD1-CD1 3.49Å; L86-I99 VanDerWaalsContact CD1-CD1 3.49Å; I95-I99 HydrophobicContact CG2-CD1 3.79Å; I95-I99 HydrophobicContact CG2-CG1 4.38Å; I95-I99 VanDerWaalsContact O-CG1 3.27Å; I95-I99 WeakPolarHBondContact O-CG1 3.31Å; I95-I99 PolarHBondContact O-N 3.05Å; L96-I99 PolarHBondContact O-N 2.95Å; L97-I99 VanDerWaalsContact C-N 3.35Å; I99-R101 VanDerWaalsContact C-N 3.28Å; I99-R101 PolarHBondContact O-N 3.11Å; I99-Y102 WeakPolarHBondContact O-CB 3.41Å; I99-Y102 PolarHBondContact O-N 3.42Å; I99-L103 HydrophobicContact CG2-CD1 4.29Å; I99-L103 HydrophobicContact CG2-CG 4.46Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 3.35Å; I99-L103 VanDerWaalsContact O-N 3.09Å
100	L	76.2	Confident	72.2	Confident	1 Å²	1	74 Å²	74	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-55.9	-44.3	177.3	-81.1	174.8	0	0	0	111.3	L96 L97 Y102 L103 R108 W118 L121 L128 F129	L96-L100 HydrophobicContact CG-CD1 4.21Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 WeakPolarHBondContact O-CG 3.35Å; L96-L100 PolarHBondContact O-N 3.49Å; L97-L100 PolarHBondContact O-N 3.01Å; L100-Y102 PolarHBondContact O-N 2.75Å; L100-L103 HydrophobicContact CD2-CD1 4.35Å; L100-L103 PolarHBondContact O-N 3.04Å; L100-L103 VanDerWaalsContact O-N 3.13Å; L100-R108 HydrophobicContact CD2-CG 4.33Å; L100-R108 PolarHBondContact O-NE 3.36Å; L100-R108 PolarHBondContact O-NH2 3.35Å; L100-W118 HydrophobicContact CD2-CZ3 3.77Å; L100-W118 HydrophobicContact CG-CZ3 4.46Å; L100-L121 HydrophobicContact CD1-CD1 4.37Å; L100-L121 HydrophobicContact CD1-CD2 4.36Å; L100-L128 HydrophobicContact CB-CD1 3.95Å; L100-L128 HydrophobicContact CD1-CD1 3.96Å; L100-F129 HydrophobicContact CD2-CZ 4.39Å
101	R	76.9	Confident	72.4	Confident	176 Å²	176	73.8 Å²	73.8	66%	0.664	36%	0.356	S	S	*	.	H	α-helix	trans	-60.9	-31.7	176.4	-77.3	179.1	179.5	-176.8	2.4	113.4	L97 K98 I99 R108 L128	L97-R101 WeakPolarHBondContact O-CB 3.44Å; L97-R101 VanDerWaalsContact O-CG 3.31Å; L97-R101 WeakPolarHBondContact O-CG 3.22Å; L97-R101 PolarHBondContact O-N 2.81Å; K98-R101 PolarHBondContact O-N 2.79Å; I99-R101 VanDerWaalsContact C-N 3.28Å; I99-R101 PolarHBondContact O-N 3.11Å; R101-R108 PolarHBondContact O-NH2 3.21Å; R101-L128 HydrophobicContact CG-CD2 3.88Å
102	Y	77.6	Confident	72.7	Confident	213 Å²	213	64.4 Å²	64.4	84%	0.835	32%	0.316	S	S	*	.	H	α-helix	trans	-76.4	-27.9	177	-167.4	-97.4	0	0	0	112.9	K98 I99 L100	K98-Y102 PolarHBondContact O-N 3.46Å; I99-Y102 WeakPolarHBondContact O-CB 3.41Å; I99-Y102 PolarHBondContact O-N 3.42Å; L100-Y102 PolarHBondContact O-N 2.75Å
103	L	74.7	Confident	72.7	Confident	30 Å²	30	64.7 Å²	64.7	16%	0.157	32%	0.318	C	S	.	.	S	Bend	trans	-71.2	145.2	178.2	-67.7	172.6	0	0	0	111.7	L83 I99 L100 D107 R108 I111	L83-L103 HydrophobicContact CD1-CD1 4.28Å; I99-L103 HydrophobicContact CG2-CD1 4.29Å; I99-L103 HydrophobicContact CG2-CG 4.46Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 3.35Å; I99-L103 VanDerWaalsContact O-N 3.09Å; L100-L103 HydrophobicContact CD2-CD1 4.35Å; L100-L103 PolarHBondContact O-N 3.04Å; L100-L103 VanDerWaalsContact O-N 3.13Å; L103-D107 HydrophobicContact CB-CB 4.13Å; L103-D107 HydrophobicContact CD2-CB 4.17Å; L103-R108 HydrophobicContact CB-CG 4.02Å; L103-R108 VanDerWaalsContact O-CZ 3.25Å; L103-R108 PolarHBondContact O-NE 3.05Å; L103-R108 PolarHBondContact O-NH2 3.21Å; L103-I111 HydrophobicContact CD1-CD1 3.47Å; L103-I111 VanDerWaalsContact CD1-CD1 3.47Å
104	T	76.6	Confident	72.4	Confident	78 Å²	78	67 Å²	67	48%	0.479	33%	0.334	S	S	.	.			trans	-68.3	158.4	173.1	67.3	0	0	0	0	110.6	S106 D107 R108	T104-S106 PolarHBondContact O-N 3.06Å; T104-D107 PolarHBondContact N-OD2 3.33Å; T104-D107 PolarHBondContact O-N 3.04Å; T104-D107 VanDerWaalsContact O-N 3.11Å; T104-D107 PolarHBondContact OG1-N 3.11Å; T104-D107 VanDerWaalsContact OG1-N 3.17Å; T104-D107 PolarHBondContact OG1-OD2 3.33Å; T104-R108 WeakPolarHBondContact O-CG 3.39Å; T104-R108 PolarHBondContact O-N 2.8Å
105	I	72.5	Confident	72	Confident	36 Å²	36	63.7 Å²	63.7	19%	0.185	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-40.8	175.8	-65.7	166.4	0	0	0	110.3	D107 R108 L109 A131 H135	I105-D107 PolarHBondContact O-N 3.27Å; I105-R108 PolarHBondContact O-N 3.11Å; I105-L109 HydrophobicContact CG2-CD1 4.01Å; I105-L109 HydrophobicContact CG2-CG 4.28Å; I105-L109 WeakPolarHBondContact O-CG 3.45Å; I105-L109 PolarHBondContact O-N 2.96Å; I105-A131 HydrophobicContact CD1-CB 4.13Å; I105-H135 HydrophobicContact CD1-CB 3.89Å
106	S	70.6	Confident	71.5	Confident	52 Å²	52	68.4 Å²	68.4	36%	0.364	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-44	176.3	-51.2	0	0	0	0	112.4	T104 L109 T110	T104-S106 PolarHBondContact O-N 3.06Å; S106-L109 PolarHBondContact O-N 3.44Å; S106-T110 WeakPolarHBondContact O-CB 3.4Å; S106-T110 PolarHBondContact O-N 3.17Å; S106-T110 PolarHBondContact O-OG1 3.31Å
107	D	71.8	Confident	70.7	Confident	57 Å²	57	71.8 Å²	71.8	31%	0.305	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-42.1	176.2	-66.4	-48.4	0	0	0	111.2	L103 T104 I105 L109 T110 I111	L103-D107 HydrophobicContact CB-CB 4.13Å; L103-D107 HydrophobicContact CD2-CB 4.17Å; T104-D107 PolarHBondContact N-OD2 3.33Å; T104-D107 PolarHBondContact O-N 3.04Å; T104-D107 VanDerWaalsContact O-N 3.11Å; T104-D107 PolarHBondContact OG1-N 3.11Å; T104-D107 VanDerWaalsContact OG1-N 3.17Å; T104-D107 PolarHBondContact OG1-OD2 3.33Å; I105-D107 PolarHBondContact O-N 3.27Å; D107-L109 PolarHBondContact O-N 3.11Å; D107-T110 PolarHBondContact O-N 2.72Å; D107-I111 WeakPolarHBondContact O-CD1 3.34Å; D107-I111 WeakPolarHBondContact O-CG1 3.45Å; D107-I111 PolarHBondContact O-N 3.29Å
108	R	72.9	Confident	70.4	Confident	32 Å²	32	70 Å²	70	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-61.8	-43.7	178.2	-66.4	175.2	-159.7	172	6.2	111.9	L100 R101 L103 T104 I105 I111 L112 L128 F129	L100-R108 HydrophobicContact CD2-CG 4.33Å; L100-R108 PolarHBondContact O-NE 3.36Å; L100-R108 PolarHBondContact O-NH2 3.35Å; R101-R108 PolarHBondContact O-NH2 3.21Å; L103-R108 HydrophobicContact CB-CG 4.02Å; L103-R108 VanDerWaalsContact O-CZ 3.25Å; L103-R108 PolarHBondContact O-NE 3.05Å; L103-R108 PolarHBondContact O-NH2 3.21Å; T104-R108 WeakPolarHBondContact O-CG 3.39Å; T104-R108 PolarHBondContact O-N 2.8Å; I105-R108 PolarHBondContact O-N 3.11Å; R108-I111 PolarHBondContact O-N 2.95Å; R108-L112 PolarHBondContact O-N 2.83Å; R108-L112 VanDerWaalsContact O-N 3.08Å; R108-L128 WeakPolarHBondContact CD-O 3.19Å; R108-L128 PolarHBondContact NH1-O 2.73Å; R108-F129 HydrophobicContact CB-CD1 3.9Å; R108-F129 HydrophobicContact CB-CE1 3.84Å
109	L	71.9	Confident	69.8	Low	91 Å²	91	71.4 Å²	71.4	48%	0.476	36%	0.36	S	S	.	.	H	α-helix	trans	-66.5	-38.6	175.7	-68.1	176.9	0	0	0	111.7	I105 S106 D107 I111 L112 S113	I105-L109 HydrophobicContact CG2-CD1 4.01Å; I105-L109 HydrophobicContact CG2-CG 4.28Å; I105-L109 WeakPolarHBondContact O-CG 3.45Å; I105-L109 PolarHBondContact O-N 2.96Å; S106-L109 PolarHBondContact O-N 3.44Å; D107-L109 PolarHBondContact O-N 3.11Å; L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 3.45Å; L109-L112 HydrophobicContact CD2-CD1 4.45Å; L109-L112 PolarHBondContact O-N 3.39Å; L109-S113 PolarHBondContact O-N 3.15Å
110	T	68.4	Low	69.1	Low	75 Å²	75	71 Å²	71	46%	0.46	36%	0.362	S	S	.	.	H	α-helix	trans	-63.7	-38.3	174.8	-54.6	0	0	0	0	111.3	S106 D107 S113 V114	S106-T110 WeakPolarHBondContact O-CB 3.4Å; S106-T110 PolarHBondContact O-N 3.17Å; S106-T110 PolarHBondContact O-OG1 3.31Å; D107-T110 PolarHBondContact O-N 2.72Å; T110-S113 PolarHBondContact O-N 3.5Å; T110-S113 PolarHBondContact O-OG 2.95Å; T110-V114 HydrophobicContact CG2-CG2 4.31Å; T110-V114 WeakPolarHBondContact O-CG2 3.17Å; T110-V114 PolarHBondContact O-N 3.25Å
111	I	68.8	Low	68.6	Low	13 Å²	13	70.9 Å²	70.9	7%	0.067	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-40.7	176.5	-65.3	159.1	0	0	0	110.7	V80 L83 L103 D107 R108 L109 S113 V114 C115 W118	V80-I111 HydrophobicContact CG2-CG1 4.29Å; V80-I111 HydrophobicContact CG2-CG2 4.44Å; L83-I111 HydrophobicContact CD1-CD1 3.64Å; L83-I111 HydrophobicContact CD1-CG1 4.39Å; L103-I111 HydrophobicContact CD1-CD1 3.47Å; L103-I111 VanDerWaalsContact CD1-CD1 3.47Å; D107-I111 WeakPolarHBondContact O-CD1 3.34Å; D107-I111 WeakPolarHBondContact O-CG1 3.45Å; D107-I111 PolarHBondContact O-N 3.29Å; R108-I111 PolarHBondContact O-N 2.95Å; L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 3.45Å; I111-S113 VanDerWaalsContact C-N 3.31Å; I111-S113 PolarHBondContact O-N 3.01Å; I111-V114 PolarHBondContact O-N 3.42Å; I111-C115 PolarHBondContact O-N 2.99Å; I111-C115 VanDerWaalsContact O-N 3.11Å; I111-W118 HydrophobicContact CB-CE3 4.24Å; I111-W118 HydrophobicContact CG2-CD2 3.27Å; I111-W118 HydrophobicContact CG2-CE3 3.11Å; I111-W118 HydrophobicContact CG2-CG 3.91Å; I111-W118 HydrophobicContact CG2-CH2 4.09Å; I111-W118 HydrophobicContact CG2-CZ2 4.19Å; I111-W118 HydrophobicContact CG2-CZ3 3.53Å
112	L	68.4	Low	68.2	Low	12 Å²	12	67.6 Å²	67.6	6%	0.063	35%	0.352	C	S	.	.	H	α-helix	trans	-62.6	-35.5	174.3	-72.8	178.6	0	0	0	112.8	R108 L109 W118 K122 F129	R108-L112 PolarHBondContact O-N 2.83Å; R108-L112 VanDerWaalsContact O-N 3.08Å; L109-L112 HydrophobicContact CD2-CD1 4.45Å; L109-L112 PolarHBondContact O-N 3.39Å; L112-W118 HydrophobicContact CD2-CB 4.02Å; L112-W118 VanDerWaalsContact CD2-O 3.31Å; L112-W118 WeakPolarHBondContact CD2-O 3.42Å; L112-K122 HydrophobicContact CD1-CB 4.42Å; L112-K122 HydrophobicContact CD1-CD 4.13Å; L112-K122 HydrophobicContact CD1-CG 4.43Å; L112-K122 HydrophobicContact CD2-CB 4.09Å; L112-F129 HydrophobicContact CD1-CB 4.33Å; L112-F129 HydrophobicContact CD1-CD1 3.26Å; L112-F129 HydrophobicContact CD1-CE1 3.57Å; L112-F129 HydrophobicContact CD1-CG 3.84Å; L112-F129 HydrophobicContact CD1-CZ 4.38Å; L112-F129 HydrophobicContact CD2-CD1 4.47Å; L112-F129 HydrophobicContact CD2-CE1 3.97Å; L112-F129 HydrophobicContact CD2-CZ 4.17Å; L112-F129 HydrophobicContact CG-CD1 3.87Å; L112-F129 HydrophobicContact CG-CE1 3.6Å; L112-F129 HydrophobicContact CG-CZ 4.31Å
113	S	64.7	Low	67.7	Low	92 Å²	92	64.6 Å²	64.6	64%	0.643	35%	0.349	S	S	*	.	H	α-helix	trans	-75.6	-31.9	179.2	68.4	0	0	0	0	112.9	L109 T110 I111	L109-S113 PolarHBondContact O-N 3.15Å; T110-S113 PolarHBondContact O-N 3.5Å; T110-S113 PolarHBondContact O-OG 2.95Å; I111-S113 VanDerWaalsContact C-N 3.31Å; I111-S113 PolarHBondContact O-N 3.01Å
114	V	62	Low	67.3	Low	86 Å²	86	69.9 Å²	69.9	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-81.1	-32.7	-178.2	175.4	0	0	0	0	112.3	V80 T110 I111	V80-V114 HydrophobicContact CB-CG1 4.48Å; V80-V114 HydrophobicContact CG1-CG1 4.24Å; V80-V114 HydrophobicContact CG2-CB 4.29Å; V80-V114 HydrophobicContact CG2-CG1 4.05Å; T110-V114 HydrophobicContact CG2-CG2 4.31Å; T110-V114 WeakPolarHBondContact O-CG2 3.17Å; T110-V114 PolarHBondContact O-N 3.25Å; I111-V114 PolarHBondContact O-N 3.42Å
115	C	61.6	Low	66.9	Low	26 Å²	26	68 Å²	68	18%	0.176	35%	0.352	C	S	.	.			trans	-130.3	109	-169.8	-154	0	0	0	0	112.8	V80 I111 S117 W118	V80-C115 HydrophobicContact CG1-CB 3.62Å; I111-C115 PolarHBondContact O-N 2.99Å; I111-C115 VanDerWaalsContact O-N 3.11Å; C115-S117 PolarHBondContact O-N 3.39Å; C115-S117 PolarHBondContact SG-OG 3.48Å; C115-W118 HydrophobicContact CB-CG 4.17Å; C115-W118 WeakPolarHBondContact O-CB 3.46Å; C115-W118 PolarHBondContact O-N 3.21Å; C115-W118 VanDerWaalsContact O-N 3.07Å
116	K	61.8	Low	66.6	Low	184 Å²	184	69.6 Å²	69.6	80%	0.8	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.4	177.9	-67.9	-175.1	179.1	-179.6	0	113.1	W118 Y119	K116-W118 PolarHBondContact O-N 3.44Å; K116-W118 VanDerWaalsContact O-N 3.12Å; K116-Y119 HydrophobicContact CB-CD2 4.23Å; K116-Y119 HydrophobicContact CB-CE2 4.47Å; K116-Y119 HydrophobicContact CG-CE2 4.29Å; K116-Y119 WeakPolarHBondContact O-CB 3.29Å; K116-Y119 VanDerWaalsContact O-CD2 3.28Å; K116-Y119 WeakPolarHBondContact O-CD2 3.49Å; K116-Y119 PolarHBondContact O-N 3.01Å; K116-Y119 VanDerWaalsContact O-N 3.11Å
117	S	57	Low	66.6	Low	71 Å²	71	78 Å²	78	50%	0.497	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.6	177.9	61.3	0	0	0	0	113	C115 S120	C115-S117 PolarHBondContact O-N 3.39Å; C115-S117 PolarHBondContact SG-OG 3.48Å; S117-S120 PolarHBondContact O-OG 3.25Å
118	W	67.2	Low	66.4	Low	1 Å²	1	76.2 Å²	76.2	0%	0.004	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-84.5	-6.9	178.5	-73.3	57.3	0	0	0	113.9	L83 S84 M87 L96 L100 I111 L112 C115 K116 S120 L121 K122	L83-W118 HydrophobicContact CB-CH2 3.35Å; L83-W118 HydrophobicContact CB-CZ2 3.16Å; L83-W118 HydrophobicContact CD1-CH2 3.78Å; L83-W118 HydrophobicContact CD1-CZ2 4.25Å; L83-W118 HydrophobicContact CD1-CZ3 4.46Å; L83-W118 HydrophobicContact CD2-CH2 4.42Å; L83-W118 HydrophobicContact CG-CH2 4.05Å; L83-W118 HydrophobicContact CG-CZ2 4.28Å; S84-W118 PolarHBondContact OG-NE1 2.8Å; M87-W118 HydrophobicContact CG-CZ2 4.2Å; L96-W118 HydrophobicContact CD1-CH2 3.76Å; L96-W118 HydrophobicContact CD1-CZ2 4.38Å; L100-W118 HydrophobicContact CD2-CZ3 3.77Å; L100-W118 HydrophobicContact CG-CZ3 4.46Å; I111-W118 HydrophobicContact CB-CE3 4.24Å; I111-W118 HydrophobicContact CG2-CD2 3.27Å; I111-W118 HydrophobicContact CG2-CE3 3.11Å; I111-W118 HydrophobicContact CG2-CG 3.91Å; I111-W118 HydrophobicContact CG2-CH2 4.09Å; I111-W118 HydrophobicContact CG2-CZ2 4.19Å; I111-W118 HydrophobicContact CG2-CZ3 3.53Å; L112-W118 HydrophobicContact CD2-CB 4.02Å; L112-W118 VanDerWaalsContact CD2-O 3.31Å; L112-W118 WeakPolarHBondContact CD2-O 3.42Å; C115-W118 HydrophobicContact CB-CG 4.17Å; C115-W118 WeakPolarHBondContact O-CB 3.46Å; C115-W118 PolarHBondContact O-N 3.21Å; C115-W118 VanDerWaalsContact O-N 3.07Å; K116-W118 PolarHBondContact O-N 3.44Å; K116-W118 VanDerWaalsContact O-N 3.12Å; W118-S120 PolarHBondContact O-N 2.77Å; W118-L121 HydrophobicContact CB-CD1 4.41Å; W118-L121 HydrophobicContact CD2-CD1 3.48Å; W118-L121 VanDerWaalsContact CD2-CD1 3.48Å; W118-L121 HydrophobicContact CE3-CD1 3.08Å; W118-L121 HydrophobicContact CE3-CG 4.47Å; W118-L121 HydrophobicContact CG-CD1 4.13Å; W118-L121 HydrophobicContact CH2-CD1 3.83Å; W118-L121 HydrophobicContact CZ2-CD1 4.18Å; W118-L121 HydrophobicContact CZ3-CD1 3.31Å; W118-L121 WeakPolarHBondContact O-CA 3.16Å; W118-L121 WeakPolarHBondContact O-CB 3.26Å; W118-L121 PolarHBondContact O-N 2.88Å; W118-K122 PolarHBondContact O-N 3Å
119	Y	65.7	Low	66.1	Low	122 Å²	122	75.5 Å²	75.5	48%	0.478	38%	0.377	S	S	.	.	H	α-helix	trans	-58.6	-31.5	168.9	-81.1	-71.4	0	0	0	111.5	K116 L121 K122 L123	K116-Y119 HydrophobicContact CB-CD2 4.23Å; K116-Y119 HydrophobicContact CB-CE2 4.47Å; K116-Y119 HydrophobicContact CG-CE2 4.29Å; K116-Y119 WeakPolarHBondContact O-CB 3.29Å; K116-Y119 VanDerWaalsContact O-CD2 3.28Å; K116-Y119 WeakPolarHBondContact O-CD2 3.49Å; K116-Y119 PolarHBondContact O-N 3.01Å; K116-Y119 VanDerWaalsContact O-N 3.11Å; Y119-L121 VanDerWaalsContact C-N 3.25Å; Y119-L121 PolarHBondContact O-N 2.85Å; Y119-K122 WeakPolarHBondContact O-CB 3.5Å; Y119-K122 PolarHBondContact O-N 2.82Å; Y119-K122 VanDerWaalsContact O-N 3.14Å; Y119-L123 PolarHBondContact O-N 2.97Å; Y119-L123 VanDerWaalsContact O-N 3.13Å
120	S	64.7	Low	65.7	Low	42 Å²	42	75.6 Å²	75.6	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-57.5	-36.7	171.3	67	0	0	0	0	112.6	S117 W118 L123 R124	S117-S120 PolarHBondContact O-OG 3.25Å; W118-S120 PolarHBondContact O-N 2.77Å; S120-L123 WeakPolarHBondContact O-CB 3.4Å; S120-L123 PolarHBondContact O-N 3Å; S120-R124 WeakPolarHBondContact O-CG 3.19Å; S120-R124 PolarHBondContact O-N 3.24Å
121	L	65.2	Low	65.1	Low	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-72	-34.4	175.9	-76.7	167.9	0	0	0	113.5	M87 L96 L100 W118 Y119 L123 R124 F125 F129	M87-L121 HydrophobicContact CE-CD1 4.47Å; M87-L121 HydrophobicContact CE-CD2 3.75Å; M87-L121 HydrophobicContact CE-CG 4.02Å; M87-L121 HydrophobicContact CG-CD1 4.37Å; M87-L121 HydrophobicContact SD-CD1 3.25Å; M87-L121 WeakPolarHBondContact SD-CD1 3.31Å; M87-L121 HydrophobicContact SD-CD2 3.63Å; M87-L121 HydrophobicContact SD-CG 3.35Å; M87-L121 WeakPolarHBondContact SD-CG 3.48Å; L96-L121 HydrophobicContact CD2-CD1 4.1Å; L96-L121 HydrophobicContact CD2-CD2 3.4Å; L96-L121 VanDerWaalsContact CD2-CD2 3.4Å; L96-L121 HydrophobicContact CD2-CG 4.28Å; L96-L121 HydrophobicContact CG-CD2 4.37Å; L100-L121 HydrophobicContact CD1-CD1 4.37Å; L100-L121 HydrophobicContact CD1-CD2 4.36Å; W118-L121 HydrophobicContact CB-CD1 4.41Å; W118-L121 HydrophobicContact CD2-CD1 3.48Å; W118-L121 VanDerWaalsContact CD2-CD1 3.48Å; W118-L121 HydrophobicContact CE3-CD1 3.08Å; W118-L121 HydrophobicContact CE3-CG 4.47Å; W118-L121 HydrophobicContact CG-CD1 4.13Å; W118-L121 HydrophobicContact CH2-CD1 3.83Å; W118-L121 HydrophobicContact CZ2-CD1 4.18Å; W118-L121 HydrophobicContact CZ3-CD1 3.31Å; W118-L121 WeakPolarHBondContact O-CA 3.16Å; W118-L121 WeakPolarHBondContact O-CB 3.26Å; W118-L121 PolarHBondContact O-N 2.88Å; Y119-L121 VanDerWaalsContact C-N 3.25Å; Y119-L121 PolarHBondContact O-N 2.85Å; L121-L123 PolarHBondContact O-N 2.74Å; L121-R124 PolarHBondContact O-N 3.43Å; L121-F125 HydrophobicContact CD2-CD2 3.75Å; L121-F125 HydrophobicContact CD2-CE2 3.85Å; L121-F125 WeakPolarHBondContact O-CA 3.42Å; L121-F125 PolarHBondContact O-N 3.25Å; L121-F129 HydrophobicContact CB-CE2 4.28Å; L121-F129 HydrophobicContact CB-CZ 4.27Å
122	K	68.1	Low	64.1	Low	106 Å²	106	76.4 Å²	76.4	46%	0.461	39%	0.394	S	S	.	.	H	α-helix	trans	-62.7	-37.1	173.4	-170.9	-178.4	178	-176.4	0	110.7	L112 W118 Y119 P126 F129	L112-K122 HydrophobicContact CD1-CB 4.42Å; L112-K122 HydrophobicContact CD1-CD 4.13Å; L112-K122 HydrophobicContact CD1-CG 4.43Å; L112-K122 HydrophobicContact CD2-CB 4.09Å; W118-K122 PolarHBondContact O-N 3Å; Y119-K122 WeakPolarHBondContact O-CB 3.5Å; Y119-K122 PolarHBondContact O-N 2.82Å; Y119-K122 VanDerWaalsContact O-N 3.14Å; K122-P126 WeakPolarHBondContact O-CA 3.29Å; K122-F129 HydrophobicContact CB-CD2 4.26Å; K122-F129 HydrophobicContact CB-CE2 4.44Å; K122-F129 HydrophobicContact CG-CD2 4.28Å; K122-F129 HydrophobicContact CG-CG 4.49Å
123	L	68.1	Low	63	Low	150 Å²	150	86.2 Å²	86.2	79%	0.785	43%	0.43	S	S	*	.	H	α-helix	trans	-70.3	-42.6	175.1	-66.6	170.4	0	0	0	112.2	Y119 S120 L121	Y119-L123 PolarHBondContact O-N 2.97Å; Y119-L123 VanDerWaalsContact O-N 3.13Å; S120-L123 WeakPolarHBondContact O-CB 3.4Å; S120-L123 PolarHBondContact O-N 3Å; L121-L123 PolarHBondContact O-N 2.74Å
124	R	65	Low	62.3	Low	142 Å²	142	89.9 Å²	89.9	54%	0.536	43%	0.434	S	S	.	.	H	α-helix	trans	-73	-36.5	179.5	-69.2	-179.5	-169.6	173.1	2	113.1	E93 S120 L121	E93-R124 WeakPolarHBondContact OE1-CD 3.38Å; E93-R124 IonicContact OE1-CZ 3.49Å; E93-R124 IonicContact OE1-NE 3.63Å; E93-R124 IonicContact OE1-NH1 2.64Å; E93-R124 PolarHBondContact OE1-NH1 2.9Å; S120-R124 WeakPolarHBondContact O-CG 3.19Å; S120-R124 PolarHBondContact O-N 3.24Å; L121-R124 PolarHBondContact O-N 3.43Å
125	F	68.2	Low	61.6	Low	38 Å²	38	90.9 Å²	90.9	17%	0.167	43%	0.433	C	S	.	.			trans	-132.4	62.1	-174.5	-54.3	-62.2	0	0	0	113.5	E93 L97 L121 R127 L128 F129	E93-F125 HydrophobicContact CB-CE2 4.21Å; E93-F125 HydrophobicContact CB-CZ 3.98Å; E93-F125 WeakPolarHBondContact OE2-CZ 3.18Å; L97-F125 HydrophobicContact CD1-CE1 3.76Å; L97-F125 HydrophobicContact CD1-CZ 3.72Å; L97-F125 HydrophobicContact CD2-CD1 3.59Å; L97-F125 HydrophobicContact CD2-CD2 3.85Å; L97-F125 HydrophobicContact CD2-CE1 3.55Å; L97-F125 HydrophobicContact CD2-CE2 3.81Å; L97-F125 HydrophobicContact CD2-CG 3.72Å; L97-F125 HydrophobicContact CD2-CZ 3.64Å; L97-F125 HydrophobicContact CG-CD1 4.48Å; L97-F125 HydrophobicContact CG-CE1 3.96Å; L97-F125 HydrophobicContact CG-CE2 4.02Å; L97-F125 HydrophobicContact CG-CZ 3.68Å; L121-F125 HydrophobicContact CD2-CD2 3.75Å; L121-F125 HydrophobicContact CD2-CE2 3.85Å; L121-F125 WeakPolarHBondContact O-CA 3.42Å; L121-F125 PolarHBondContact O-N 3.25Å; F125-R127 PolarHBondContact O-N 2.84Å; F125-R127 VanDerWaalsContact O-N 3.11Å; F125-L128 HydrophobicContact CB-CB 4.42Å; F125-L128 HydrophobicContact CB-CD1 3.71Å; F125-L128 HydrophobicContact CB-CG 4.06Å; F125-L128 HydrophobicContact CG-CD1 4.16Å; F125-L128 PolarHBondContact O-N 3.16Å; F125-F129 VanDerWaalsContact O-CD2 3.31Å; F125-F129 WeakPolarHBondContact O-CD2 3.34Å
126	P	66.6	Low	60.7	Low	70 Å²	70	95.7 Å²	95.7	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-57.3	-35.6	-176.3	21.6	-32.8	0	0	0	112.4	K122 L128 F129 T130	K122-P126 WeakPolarHBondContact O-CA 3.29Å; P126-L128 PolarHBondContact O-N 2.98Å; P126-L128 VanDerWaalsContact O-N 3.11Å; P126-F129 PolarHBondContact O-N 3.4Å; P126-T130 PolarHBondContact O-N 2.87Å; P126-T130 PolarHBondContact O-OG1 2.95Å
127	R	69.8	Low	60	Low	227 Å²	227	92 Å²	92	86%	0.857	44%	0.441	S	S	*	.	H	α-helix	trans	-59.9	-23.3	-179.9	-64.3	-174.4	-179.7	-178.2	0.9	114.3	F125 T130	F125-R127 PolarHBondContact O-N 2.84Å; F125-R127 VanDerWaalsContact O-N 3.11Å; R127-T130 WeakPolarHBondContact CA-OG1 3.33Å; R127-T130 PolarHBondContact O-OG1 3.44Å
128	L	68.7	Low	59.4	Low	20 Å²	20	92 Å²	92	11%	0.105	44%	0.438	C	S	.	.	H	α-helix	trans	-81.9	-18.6	179.4	-65.1	178.8	0	0	0	112.9	L97 L100 R101 R108 F125 P126	L97-L128 HydrophobicContact CD2-CD1 3.54Å; L100-L128 HydrophobicContact CB-CD1 3.95Å; L100-L128 HydrophobicContact CD1-CD1 3.96Å; R101-L128 HydrophobicContact CG-CD2 3.88Å; R108-L128 WeakPolarHBondContact CD-O 3.19Å; R108-L128 PolarHBondContact NH1-O 2.73Å; F125-L128 HydrophobicContact CB-CB 4.42Å; F125-L128 HydrophobicContact CB-CD1 3.71Å; F125-L128 HydrophobicContact CB-CG 4.06Å; F125-L128 HydrophobicContact CG-CD1 4.16Å; F125-L128 PolarHBondContact O-N 3.16Å; P126-L128 PolarHBondContact O-N 2.98Å; P126-L128 VanDerWaalsContact O-N 3.11Å
129	F	66.9	Low	58.5	Low	17 Å²	17	95.4 Å²	95.4	8%	0.075	46%	0.456	C	S	.	.	H	α-helix	trans	-110.1	-15.7	-176.9	-58.7	-80.3	0	0	0	112.8	L100 R108 L112 L121 K122 F125 P126 A131	L100-F129 HydrophobicContact CD2-CZ 4.39Å; R108-F129 HydrophobicContact CB-CD1 3.9Å; R108-F129 HydrophobicContact CB-CE1 3.84Å; L112-F129 HydrophobicContact CD1-CB 4.33Å; L112-F129 HydrophobicContact CD1-CD1 3.26Å; L112-F129 HydrophobicContact CD1-CE1 3.57Å; L112-F129 HydrophobicContact CD1-CG 3.84Å; L112-F129 HydrophobicContact CD1-CZ 4.38Å; L112-F129 HydrophobicContact CD2-CD1 4.47Å; L112-F129 HydrophobicContact CD2-CE1 3.97Å; L112-F129 HydrophobicContact CD2-CZ 4.17Å; L112-F129 HydrophobicContact CG-CD1 3.87Å; L112-F129 HydrophobicContact CG-CE1 3.6Å; L112-F129 HydrophobicContact CG-CZ 4.31Å; L121-F129 HydrophobicContact CB-CE2 4.28Å; L121-F129 HydrophobicContact CB-CZ 4.27Å; K122-F129 HydrophobicContact CB-CD2 4.26Å; K122-F129 HydrophobicContact CB-CE2 4.44Å; K122-F129 HydrophobicContact CG-CD2 4.28Å; K122-F129 HydrophobicContact CG-CG 4.49Å; F125-F129 VanDerWaalsContact O-CD2 3.31Å; F125-F129 WeakPolarHBondContact O-CD2 3.34Å; P126-F129 PolarHBondContact O-N 3.4Å; F129-A131 PolarHBondContact O-N 2.85Å
130	T	62.8	Low	57.6	Low	94 Å²	94	97.7 Å²	97.7	58%	0.577	47%	0.468	S	S	*	.	S	Bend	trans	-74.9	110.6	168.7	49	0	0	0	0	109.9	P126 R127 S132	P126-T130 PolarHBondContact O-N 2.87Å; P126-T130 PolarHBondContact O-OG1 2.95Å; R127-T130 WeakPolarHBondContact CA-OG1 3.33Å; R127-T130 PolarHBondContact O-OG1 3.44Å; T130-S132 PolarHBondContact O-N 3.18Å
131	A	56.1	Low	56.6	Low	38 Å²	38	100.9 Å²	100.9	31%	0.314	48%	0.479	S	S	.	.			trans	-62.9	122.3	164.7	0	0	0	0	0	108.2	I105 F129 R133	I105-A131 HydrophobicContact CD1-CB 4.13Å; F129-A131 PolarHBondContact O-N 2.85Å; A131-R133 PolarHBondContact O-N 3.37Å
132	S	48.3	Very low	55.6	Low	66 Å²	66	106 Å²	106	46%	0.462	51%	0.506	S	S	.	.			trans	-53.2	126.4	155.2	165.9	0	0	0	0	106.3	T130 K134 H135	T130-S132 PolarHBondContact O-N 3.18Å; S132-K134 PolarHBondContact O-N 2.82Å; S132-H135 PolarHBondContact O-N 2.87Å
133	R	44.9	Very low	54.3	Low	218 Å²	218	107 Å²	107	82%	0.823	52%	0.516	S	S	*	.	H	α-helix	trans	-43.5	-24.4	177.1	-97.6	-177.7	174.7	-177.9	-1.4	113.3	A131 H135	A131-R133 PolarHBondContact O-N 3.37Å; R133-H135 VanDerWaalsContact C-N 3.34Å; R133-H135 PolarHBondContact O-N 3.32Å
134	K	50.2	Low	52.9	Low	169 Å²	169	103.9 Å²	103.9	74%	0.735	51%	0.511	S	S	*	.	H	α-helix	trans	-64.1	-28.4	175.6	-60.6	-172.9	177.4	-175.4	0	114.3	S132 T138	S132-K134 PolarHBondContact O-N 2.82Å; K134-T138 PolarHBondContact O-OG1 3.3Å
135	H	46.1	Very low	51.8	Low	108 Å²	108	104.9 Å²	104.9	50%	0.5	52%	0.52	S	S	.	.	H	α-helix	trans	-85.3	-24.8	-178.3	-89.8	-61.9	0	0	0	114.5	I105 S132 R133 L139	I105-H135 HydrophobicContact CD1-CB 3.89Å; S132-H135 PolarHBondContact O-N 2.87Å; R133-H135 VanDerWaalsContact C-N 3.34Å; R133-H135 PolarHBondContact O-N 3.32Å; H135-L139 PolarHBondContact O-N 2.94Å
136	E	44.1	Very low	50.3	Low	126 Å²	126	105.3 Å²	105.3	59%	0.589	54%	0.535	S	S	*	.	H	α-helix	trans	-70.3	-37.4	178.2	-109.5	-179.6	156.1	0	0	112.2	L139 K140	E136-L139 PolarHBondContact O-N 3.46Å; E136-K140 PolarHBondContact O-N 3.45Å; E136-K140 VanDerWaalsContact O-N 3.11Å
137	I	46.7	Very low	48.8	Very low	108 Å²	108	107.3 Å²	107.3	55%	0.554	55%	0.55	S	S	*	*	H	α-helix	trans	-66.4	-41.2	178.6	-58	171.9	0	0	0	109.9	L139 E141	I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.13Å; I137-E141 WeakPolarHBondContact O-CG 3.27Å; I137-E141 PolarHBondContact O-N 3.46Å; I137-E141 VanDerWaalsContact O-N 3.16Å
138	T	44.6	Very low	46.9	Very low	69 Å²	69	107.7 Å²	107.7	42%	0.423	55%	0.552	S	S	.	*	H	α-helix	trans	-69.1	-30.3	178.6	-30.6	0	0	0	0	112.9	K134 N142	K134-T138 PolarHBondContact O-OG1 3.3Å; T138-N142 VanDerWaalsContact O-CB 3.31Å; T138-N142 WeakPolarHBondContact O-CB 3.4Å; T138-N142 PolarHBondContact O-N 3Å; T138-N142 PolarHBondContact O-ND2 3.09Å
139	L	46.8	Very low	45.1	Very low	74 Å²	74	117.8 Å²	117.8	39%	0.387	59%	0.589	S	S	.	*	H	α-helix	trans	-77.2	-40.7	178.3	-111	151.9	0	0	0	111.9	H135 E136 I137 N142 L143	H135-L139 PolarHBondContact O-N 2.94Å; E136-L139 PolarHBondContact O-N 3.46Å; I137-L139 VanDerWaalsContact C-N 3.34Å; I137-L139 PolarHBondContact O-N 3.13Å; L139-N142 PolarHBondContact O-N 3.3Å; L139-L143 HydrophobicContact CD2-CD1 3.87Å; L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 WeakPolarHBondContact O-CD1 3.47Å; L139-L143 PolarHBondContact O-N 2.69Å
140	K	47	Very low	43.4	Very low	170 Å²	170	120.9 Å²	120.9	74%	0.739	61%	0.612	S	S	*	*	H	α-helix	trans	-64.8	-40.6	175.3	-90.1	-176.4	173.5	178.6	0	112.6	E136 A144	E136-K140 PolarHBondContact O-N 3.45Å; E136-K140 VanDerWaalsContact O-N 3.11Å; K140-A144 WeakPolarHBondContact O-CB 3.45Å; K140-A144 PolarHBondContact O-N 3.08Å
141	E	43.7	Very low	42.1	Very low	109 Å²	109	122.9 Å²	122.9	51%	0.509	62%	0.624	S	S	.	*	H	α-helix	trans	-69.8	-35.5	177.7	-72.9	-173.4	155.7	0	0	113	I137 K145	I137-E141 WeakPolarHBondContact O-CG 3.27Å; I137-E141 PolarHBondContact O-N 3.46Å; I137-E141 VanDerWaalsContact O-N 3.16Å; E141-K145 WeakPolarHBondContact O-CB 3.31Å; E141-K145 WeakPolarHBondContact O-CG 3.37Å; E141-K145 PolarHBondContact O-N 3.5Å; E141-K145 VanDerWaalsContact O-N 3.08Å
142	N	44.6	Very low	41.2	Very low	107 Å²	107	126.3 Å²	126.3	57%	0.572	64%	0.642	S	S	*	*	H	α-helix	trans	-77.7	-27.6	177.5	-73	-32.4	0	0	0	113.3	T138 L139 G146	T138-N142 VanDerWaalsContact O-CB 3.31Å; T138-N142 WeakPolarHBondContact O-CB 3.4Å; T138-N142 PolarHBondContact O-N 3Å; T138-N142 PolarHBondContact O-ND2 3.09Å; L139-N142 PolarHBondContact O-N 3.3Å; N142-G146 VanDerWaalsContact O-CA 3.3Å; N142-G146 WeakPolarHBondContact O-CA 3.3Å; N142-G146 PolarHBondContact O-N 2.93Å
143	L	42.1	Very low	40.6	Very low	128 Å²	128	130 Å²	130	67%	0.67	66%	0.656	S	S	*	*	H	α-helix	trans	-72.6	-40.1	171.2	-91.2	149.6	0	0	0	111.8	L139	L139-L143 HydrophobicContact CD2-CD1 3.87Å; L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 WeakPolarHBondContact O-CD1 3.47Å; L139-L143 PolarHBondContact O-N 2.69Å
144	A	38.4	Very low	40.1	Very low	84 Å²	84	131.3 Å²	131.3	69%	0.694	66%	0.661	S	S	*	*	H	α-helix	trans	-70.2	-30.8	176.4	0	0	0	0	0	113.1	K140	K140-A144 WeakPolarHBondContact O-CB 3.45Å; K140-A144 PolarHBondContact O-N 3.08Å
145	K	42.1	Very low	39.5	Very low	162 Å²	162	132.3 Å²	132.3	70%	0.704	67%	0.665	S	S	*	*	H	α-helix	trans	-94	-10.2	177.2	-67.7	174.5	179.8	171.4	0	113.9	E141 S147	E141-K145 WeakPolarHBondContact O-CB 3.31Å; E141-K145 WeakPolarHBondContact O-CG 3.37Å; E141-K145 PolarHBondContact O-N 3.5Å; E141-K145 VanDerWaalsContact O-N 3.08Å; K145-S147 PolarHBondContact O-N 3.23Å
146	G	35	Very low	38.8	Very low	47 Å²	47	131.4 Å²	131.4	49%	0.485	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	-2.9	-173.6	0	0	0	0	0	116.3	N142	N142-G146 VanDerWaalsContact O-CA 3.3Å; N142-G146 WeakPolarHBondContact O-CA 3.3Å; N142-G146 PolarHBondContact O-N 2.93Å
147	S	34.9	Very low	38.5	Very low	112 Å²	112	133.1 Å²	133.1	78%	0.783	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-2.9	-179.4	-167.7	0	0	0	0	114.6	K145	K145-S147 PolarHBondContact O-N 3.23Å
148	R	30.4	Very low	38.1	Very low	236 Å²	236	132.8 Å²	132.8	89%	0.891	69%	0.689	S	S	*	*			trans	-107.4	79.2	169.9	-80	-172.8	172.7	-164.8	-1.1	110	S150	R148-S150 PolarHBondContact O-N 2.91Å
149	R	31.1	Very low	37.6	Very low	232 Å²	232	133.2 Å²	133.2	88%	0.875	70%	0.699	S	S	*	*			trans	-68.5	86	164	-75.9	-177.1	-177.5	171.5	2.3	108.8	T151	R149-T151 PolarHBondContact O-N 3.34Å
150	S	31.6	Very low	37	Very low	81 Å²	81	135.7 Å²	135.7	57%	0.566	71%	0.712	S	S	*	*			trans	-67.2	111.1	163.1	167.8	0	0	0	0	108	R148 T152	R148-S150 PolarHBondContact O-N 2.91Å; S150-T152 PolarHBondContact O-N 3.07Å; S150-T152 PolarHBondContact OG-OG1 3.43Å
151	T	36.2	Very low	36.1	Very low	136 Å²	136	134.6 Å²	134.6	83%	0.834	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	13.6	179.6	40.3	0	0	0	0	113.5	R149	R149-T151 PolarHBondContact O-N 3.34Å
152	T	37.1	Very low	35.3	Very low	111 Å²	111	134.8 Å²	134.8	68%	0.681	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	6.2	-163.7	45.3	0	0	0	0	117.2	S150	S150-T152 PolarHBondContact O-N 3.07Å; S150-T152 PolarHBondContact OG-OG1 3.43Å
153	N	34	Very low	34.5	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	74%	0.739	S	S	*	*			trans	-119.2	70.3	177.2	-88.7	-38.6	0	0	0	113	K155	N153-K155 PolarHBondContact O-N 2.85Å
154	R	35.1	Very low	33.7	Very low	245 Å²	245	138.9 Å²	138.9	93%	0.925	74%	0.74	S	S	*	*			trans	-80.3	97.4	162.6	-76.1	-173.1	176.6	174.1	0.7	108.7
155	K	37.7	Very low	33.1	Very low	189 Å²	189	143.1 Å²	143.1	82%	0.822	74%	0.743	S	S	*	*			trans	-64.5	133.4	164.9	-81.7	-177.3	175.5	-178.7	0	109.2	N153	N153-K155 PolarHBondContact O-N 2.85Å
156	P	31.7	Very low	32.4	Very low	90 Å²	90	141 Å²	141	58%	0.584	75%	0.747	S	S	*	*			trans	-65.4	141.9	176	26.4	-31.6	0	0	0	110.5	S158 A159	P156-S158 PolarHBondContact O-N 3.36Å; P156-A159 PolarHBondContact O-N 3.03Å
157	L	38.3	Very low	32	Very low	162 Å²	162	144.5 Å²	144.5	85%	0.848	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-65.6	2.6	-179.5	-80.1	159.6	0	0	0	114.1	A159 I160	L157-A159 VanDerWaalsContact C-N 3.35Å; L157-I160 HydrophobicContact CD2-CD1 4.46Å
158	S	37	Very low	31.8	Very low	100 Å²	100	145.2 Å²	145.2	70%	0.699	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-80.6	-8.3	176.8	52.2	0	0	0	0	114.3	P156	P156-S158 PolarHBondContact O-N 3.36Å
159	A	34.2	Very low	31.6	Very low	78 Å²	78	143.5 Å²	143.5	65%	0.645	75%	0.752	S	S	*	*	G	3₁₀ helix	trans	-101.5	-0.1	-174.6	0	0	0	0	0	115.3	P156 L157 N161	P156-A159 PolarHBondContact O-N 3.03Å; L157-A159 VanDerWaalsContact C-N 3.35Å; A159-N161 VanDerWaalsContact C-N 3.27Å; A159-N161 PolarHBondContact O-N 3.45Å
160	I	34.9	Very low	31.6	Very low	127 Å²	127	138.6 Å²	138.6	65%	0.651	74%	0.743	S	S	*	*			trans	-94.4	59.5	178.9	-47	176.9	0	0	0	109.3	L157 C162	L157-I160 HydrophobicContact CD2-CD1 4.46Å; I160-C162 PolarHBondContact O-N 3.33Å
161	N	27.5	Very low	31.4	Very low	147 Å²	147	146.1 Å²	146.1	79%	0.786	76%	0.759	S	S	*	*			trans	-78.7	93.8	156.8	-90.9	-14.7	0	0	0	106.9	A159	A159-N161 VanDerWaalsContact C-N 3.27Å; A159-N161 PolarHBondContact O-N 3.45Å
162	C	28.3	Very low	31.4	Very low	112 Å²	112	146.1 Å²	146.1	76%	0.757	76%	0.759	S	S	*	*			trans	-122.4	67.4	166.4	-79.8	0	0	0	0	109	I160 N164	I160-C162 PolarHBondContact O-N 3.33Å; C162-N164 PolarHBondContact O-N 3.03Å
163	F	26.4	Very low	31	Very low	191 Å²	191	147.1 Å²	147.1	84%	0.838	76%	0.76	S	S	*	*			trans	-54.6	113.1	130.6	-89.8	-95.9	0	0	0	106.4
164	N	26.4	Very low	30.8	Very low	131 Å²	131	149.3 Å²	149.3	70%	0.701	76%	0.763	S	S	*	*			trans	166.9	121.4	137.7	-81.6	-23.1	0	0	0	111.5	C162	C162-N164 PolarHBondContact O-N 3.03Å
165	F	26	Very low	30.7	Very low	172 Å²	172	146.3 Å²	146.3	75%	0.754	76%	0.756	S	S	*	*			trans	43.8	96.7	136.4	-68	-91.9	0	0	0	117.8
166	C	25.7	Very low	30.5	Very low	117 Å²	117	144.3 Å²	144.3	79%	0.791	76%	0.755	S	S	*	*			trans	-127.5	83.8	146	-104.4	0	0	0	0	109.6	I168	C166-I168 PolarHBondContact O-N 3.38Å; C166-I168 VanDerWaalsContact O-N 3.08Å
167	T	26.5	Very low	30.8	Very low	122 Å²	122	144.8 Å²	144.8	75%	0.748	76%	0.756	S	S	*	*			trans	-58.5	91	159.1	35.6	0	0	0	0	109.9
168	I	30.5	Very low	31.3	Very low	126 Å²	126	144.2 Å²	144.2	65%	0.646	75%	0.747	S	S	*	*			trans	-115.6	85.5	165.9	-57.2	179.4	0	0	0	107.9	C166 N170	C166-I168 PolarHBondContact O-N 3.38Å; C166-I168 VanDerWaalsContact O-N 3.08Å; I168-N170 VanDerWaalsContact C-N 3.32Å; I168-N170 HydrophobicContact CG2-CB 4.01Å; I168-N170 PolarHBondContact O-N 3.07Å
169	K	27.5	Very low	32	Very low	201 Å²	201	143.7 Å²	143.7	87%	0.874	73%	0.734	S	S	*	*			trans	-60.8	97.4	153.3	-73.6	179.3	176.2	178	0	106.6
170	N	31.4	Very low	33.1	Very low	128 Å²	128	144.5 Å²	144.5	68%	0.684	72%	0.723	S	S	*	*			trans	-143.6	107.2	160.2	-89.4	-37.7	0	0	0	109.9	I168 V172	I168-N170 VanDerWaalsContact C-N 3.32Å; I168-N170 HydrophobicContact CG2-CB 4.01Å; I168-N170 PolarHBondContact O-N 3.07Å; N170-V172 PolarHBondContact O-N 3.17Å
171	R	27.5	Very low	34.6	Very low	239 Å²	239	142.7 Å²	142.7	90%	0.902	71%	0.714	S	S	*	*			trans	-9.4	104.4	159.1	-65.2	173.4	175.4	171.9	-2.8	113.7
172	V	35	Very low	36.8	Very low	136 Å²	136	136.3 Å²	136.3	82%	0.824	68%	0.679	S	S	*	*			trans	-106.7	103.5	155.1	-179.2	0	0	0	0	105.5	N170 K174	N170-V172 PolarHBondContact O-N 3.17Å; V172-K174 PolarHBondContact O-N 3.17Å
173	D	29.7	Very low	39	Very low	133 Å²	133	133.2 Å²	133.2	71%	0.711	66%	0.658	S	S	*	*			trans	-53.8	125.3	173.4	-74.9	-51.3	0	0	0	110.7	F175	D173-F175 PolarHBondContact O-N 3.49Å
174	K	30.5	Very low	41.2	Very low	190 Å²	190	124.2 Å²	124.2	83%	0.826	62%	0.619	S	S	*	*			trans	14.6	87.7	153.2	-65.7	177.4	176.9	180	0	116.1	V172	V172-K174 PolarHBondContact O-N 3.17Å
175	F	32.8	Very low	43.4	Very low	181 Å²	181	120.7 Å²	120.7	79%	0.794	60%	0.603	S	S	*	*			trans	-117.6	91.8	149.7	-93.7	-89.3	0	0	0	107.6	D173 T177	D173-F175 PolarHBondContact O-N 3.49Å; F175-T177 PolarHBondContact O-N 3.48Å
176	D	32.6	Very low	45.6	Very low	148 Å²	148	117.1 Å²	117.1	79%	0.791	60%	0.595	S	S	*	*			trans	-78.2	55.8	176.3	-86.5	-37.4	0	0	0	112.1
177	T	39	Very low	48.1	Very low	100 Å²	100	114.2 Å²	114.2	61%	0.613	58%	0.575	S	S	*	*			trans	-130.7	88.1	158.1	52.3	0	0	0	0	106.4	F175 E179	F175-T177 PolarHBondContact O-N 3.48Å; T177-E179 PolarHBondContact O-N 3.43Å
178	K	47.3	Very low	50.6	Low	149 Å²	149	112.9 Å²	112.9	65%	0.648	57%	0.571	S	S	*	*			trans	-64.8	86.5	173	-65.1	-174.9	-172.6	171	0	108.2	F180	K178-F180 HydrophobicContact CB-CD2 3.64Å; K178-F180 HydrophobicContact CB-CE1 4.3Å; K178-F180 HydrophobicContact CB-CE2 3.26Å; K178-F180 HydrophobicContact CB-CG 4.33Å; K178-F180 HydrophobicContact CB-CZ 3.67Å; K178-F180 HydrophobicContact CD-CE1 4.04Å; K178-F180 HydrophobicContact CD-CE2 3.58Å; K178-F180 HydrophobicContact CD-CZ 3.2Å; K178-F180 HydrophobicContact CG-CE2 4.05Å; K178-F180 HydrophobicContact CG-CZ 4.03Å; K178-F180 VanDerWaalsContact O-CD2 3.22Å; K178-F180 WeakPolarHBondContact O-CD2 3.44Å; K178-F180 PolarHBondContact O-N 3.17Å
179	E	51.6	Low	52.5	Low	90 Å²	90	107.7 Å²	107.7	42%	0.421	55%	0.549	S	S	.	.			trans	-64.2	82.1	162.3	-72.5	-178.4	-169.2	0	0	106.6	Y94 K98 T177 L181	Y94-E179 VanDerWaalsContact OH-CD 3.28Å; Y94-E179 PolarHBondContact OH-OE1 3.21Å; Y94-E179 PolarHBondContact OH-OE2 3.28Å; Y94-E179 VanDerWaalsContact OH-OE2 3.11Å; K98-E179 IonicContact NZ-OE2 3.12Å; K98-E179 PolarHBondContact NZ-OE2 3.18Å; T177-E179 PolarHBondContact O-N 3.43Å; E179-L181 PolarHBondContact O-N 3.23Å
180	F	56.8	Low	54.9	Low	95 Å²	95	100.4 Å²	100.4	42%	0.417	52%	0.521	S	S	.	.			trans	-69.9	121.1	171.3	-67.2	-77.8	0	0	0	107.6	K178 H182	K178-F180 HydrophobicContact CB-CD2 3.64Å; K178-F180 HydrophobicContact CB-CE1 4.3Å; K178-F180 HydrophobicContact CB-CE2 3.26Å; K178-F180 HydrophobicContact CB-CG 4.33Å; K178-F180 HydrophobicContact CB-CZ 3.67Å; K178-F180 HydrophobicContact CD-CE1 4.04Å; K178-F180 HydrophobicContact CD-CE2 3.58Å; K178-F180 HydrophobicContact CD-CZ 3.2Å; K178-F180 HydrophobicContact CG-CE2 4.05Å; K178-F180 HydrophobicContact CG-CZ 4.03Å; K178-F180 VanDerWaalsContact O-CD2 3.22Å; K178-F180 WeakPolarHBondContact O-CD2 3.44Å; K178-F180 PolarHBondContact O-N 3.17Å; F180-H182 WeakPolarHBondContact CB-NE2 3.05Å; F180-H182 PolarHBondContact O-CD2 3.4Å
181	L	67.2	Low	57	Low	89 Å²	89	94.4 Å²	94.4	47%	0.466	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	123.8	169.8	-62	177.8	0	0	0	107.5	E179 V190 F192	E179-L181 PolarHBondContact O-N 3.23Å; L181-V190 HydrophobicContact CB-CG1 4.46Å; L181-V190 HydrophobicContact CD1-CG1 4.46Å; L181-V190 HydrophobicContact CD2-CG1 3.71Å; L181-V190 HydrophobicContact CG-CG1 4.43Å; L181-F192 HydrophobicContact CD2-CD1 3.88Å; L181-F192 HydrophobicContact CD2-CE1 3.56Å; L181-F192 HydrophobicContact CD2-CZ 4.28Å
182	H	73.6	Confident	59.5	Low	12 Å²	12	85.1 Å²	85.1	6%	0.056	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154	175.9	-63.5	-93.6	0	0	0	110.6	F180 A191 Y193 L202 Y215	F180-H182 WeakPolarHBondContact CB-NE2 3.05Å; F180-H182 PolarHBondContact O-CD2 3.4Å; H182-A191 PolarHBondContact N-O 3.33Å; H182-A191 WeakPolarHBondContact O-CA 3.07Å; H182-A191 WeakPolarHBondContact O-CB 3.49Å; H182-A191 PolarHBondContact O-N 2.81Å; H182-Y193 VanDerWaalsContact CD2-CB 3.45Å; H182-Y193 WeakPolarHBondContact CD2-CB 3.45Å; H182-Y193 AromaticContact NE2-CG 3.98Å; H182-L202 HydrophobicContact CB-CD1 3.55Å; H182-L202 HydrophobicContact CB-CD2 4.26Å; H182-L202 HydrophobicContact CB-CG 4.49Å; H182-Y215 AromaticContact CE1-CE2 3.37Å; H182-Y215 WeakPolarHBondContact CE1-CE2 3.14Å; H182-Y215 AromaticContact CE1-CZ 3.7Å; H182-Y215 PolarHBondContact CE1-OH 2.9Å; H182-Y215 AromaticContact ND1-CE2 3.48Å; H182-Y215 WeakPolarHBondContact ND1-CE2 3.37Å; H182-Y215 AromaticContact NE2-CE2 3.87Å
183	P	75	Confident	61.5	Low	48 Å²	48	80.5 Å²	80.5	31%	0.312	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	136.4	168.5	26.5	-31	0	0	0	110.3	G189 L238	P183-G189 CarbonylContact C-O 3.48Å; P183-L238 HydrophobicContact CB-CD2 4.23Å; P183-L238 HydrophobicContact CG-CD2 4.49Å
184	C	73.3	Confident	63.6	Low	2 Å²	2	79 Å²	79	1%	0.014	41%	0.407	C	S	.	.			trans	-65.8	130.7	167.8	174	0	0	0	0	109.9	V186 S188 G189 A191 C204	C184-V186 PolarHBondContact O-N 3.43Å; C184-V186 PolarHBondContact SG-N 2.9Å; C184-V186 VanDerWaalsContact SG-N 3.39Å; C184-S188 WeakPolarHBondContact O-CA 3.44Å; C184-S188 PolarHBondContact O-N 3.35Å; C184-G189 WeakPolarHBondContact CB-O 3.22Å; C184-G189 PolarHBondContact N-O 3.24Å; C184-A191 HydrophobicContact CB-CB 4.28Å; C184-C204 HydrophobicContact CB-CB 3.9Å; C184-C204 VanDerWaalsContact CB-SG 3.51Å; C184-C204 VanDerWaalsContact SG-SG 3.66Å
185	P	72.5	Confident	65.3	Low	56 Å²	56	73 Å²	73	36%	0.364	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20	179.6	25.8	-33.5	0	0	0	113.5	V213 Q218	P185-V213 HydrophobicContact CG-CG2 3.95Å; P185-Q218 HydrophobicContact CB-CB 4.43Å; P185-Q218 HydrophobicContact CG-CB 4.36Å
186	V	70.9	Confident	66.9	Low	98 Å²	98	72 Å²	72	59%	0.594	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-48.9	-178.2	179	0	0	0	0	112.3	C184 I211	C184-V186 PolarHBondContact O-N 3.43Å; C184-V186 PolarHBondContact SG-N 2.9Å; C184-V186 VanDerWaalsContact SG-N 3.39Å; V186-I211 HydrophobicContact CG2-CD1 3.52Å; V186-I211 HydrophobicContact CG2-CG2 4.25Å
187	C	79.1	Confident	68.3	Low	56 Å²	56	68.2 Å²	68.2	38%	0.378	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	2.1	-171.6	80.7	0	0	0	0	114.2	G189 C204 C209	C187-G189 PolarHBondContact O-N 2.98Å; C187-G189 PolarHBondContact SG-N 2.9Å; C187-C204 PolarHBondContact SG-SG 3.26Å; C187-C209 HydrophobicContact CB-CB 4.02Å; C187-C209 VanDerWaalsContact SG-CB 3.6Å
188	S	78	Confident	69.1	Low	94 Å²	94	72.4 Å²	72.4	66%	0.657	37%	0.373	S	S	*	.			trans	55.8	12.7	-171.8	-56.3	0	0	0	0	114.7	C184	C184-S188 WeakPolarHBondContact O-CA 3.44Å; C184-S188 PolarHBondContact O-N 3.35Å
189	G	71.5	Confident	69.7	Low	17 Å²	17	66.9 Å²	66.9	18%	0.175	35%	0.352	C	S	.	.			trans	-73.7	172.3	176.7	0	0	0	0	0	111.8	P183 C184 C187 A191	P183-G189 CarbonylContact C-O 3.48Å; C184-G189 WeakPolarHBondContact CB-O 3.22Å; C184-G189 PolarHBondContact N-O 3.24Å; C187-G189 PolarHBondContact O-N 2.98Å; C187-G189 PolarHBondContact SG-N 2.9Å; G189-A191 PolarHBondContact O-N 3.11Å
190	V	76.9	Confident	70.5	Confident	48 Å²	48	64.4 Å²	64.4	29%	0.291	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128	177.2	-178.3	0	0	0	0	109.7	L181 Q205 I241	L181-V190 HydrophobicContact CB-CG1 4.46Å; L181-V190 HydrophobicContact CD1-CG1 4.46Å; L181-V190 HydrophobicContact CD2-CG1 3.71Å; L181-V190 HydrophobicContact CG-CG1 4.43Å; V190-Q205 WeakPolarHBondContact O-CB 3.45Å; V190-Q205 PolarHBondContact O-N 3.06Å; V190-I241 HydrophobicContact CG2-CD1 3.65Å
191	A	76.2	Confident	71.4	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.8	174.8	0	0	0	0	0	111	H182 C184 G189 L202 H203 C204	H182-A191 PolarHBondContact N-O 3.33Å; H182-A191 WeakPolarHBondContact O-CA 3.07Å; H182-A191 WeakPolarHBondContact O-CB 3.49Å; H182-A191 PolarHBondContact O-N 2.81Å; C184-A191 HydrophobicContact CB-CB 4.28Å; G189-A191 PolarHBondContact O-N 3.11Å; A191-L202 HydrophobicContact CB-CD1 4.12Å; A191-L202 HydrophobicContact CB-CD2 3.87Å; A191-L202 HydrophobicContact CB-CG 3.7Å; A191-H203 CarbonylContact C-O 3.6Å; A191-H203 WeakPolarHBondContact CA-O 3.3Å; A191-C204 HydrophobicContact CB-CB 4.49Å
192	F	79.3	Confident	71.9	Confident	44 Å²	44	59.5 Å²	59.5	19%	0.193	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	128.7	176.2	-76.2	-67.7	0	0	0	110.3	L181 L202 H203 Q205	L181-F192 HydrophobicContact CD2-CD1 3.88Å; L181-F192 HydrophobicContact CD2-CE1 3.56Å; L181-F192 HydrophobicContact CD2-CZ 4.28Å; F192-L202 WeakPolarHBondContact O-CA 3.44Å; F192-H203 PolarHBondContact N-O 2.65Å; F192-H203 PolarHBondContact O-N 2.65Å; F192-Q205 VanDerWaalsContact CD2-CD 3.44Å; F192-Q205 HydrophobicContact CD2-CG 3.34Å; F192-Q205 VanDerWaalsContact CE2-CD 3.48Å; F192-Q205 HydrophobicContact CE2-CG 3.38Å; F192-Q205 HydrophobicContact CG-CG 4.5Å
193	Y	76.6	Confident	72.4	Confident	39 Å²	39	61 Å²	61	15%	0.153	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	130.8	168.6	176.6	-116.6	0	0	0	111.3	H182 P195 N200 Y215	H182-Y193 VanDerWaalsContact CD2-CB 3.45Å; H182-Y193 WeakPolarHBondContact CD2-CB 3.45Å; H182-Y193 AromaticContact NE2-CG 3.98Å; Y193-P195 HydrophobicContact CD1-CG 4.38Å; Y193-P195 HydrophobicContact CE1-CB 3.62Å; Y193-P195 HydrophobicContact CE1-CG 3.88Å; Y193-N200 HydrophobicContact CE2-CB 3.76Å; Y193-N200 PolarHBondContact OH-ND2 2.69Å; Y193-N200 PolarHBondContact OH-OD1 2.83Å; Y193-Y215 HydrophobicContact CD2-CD1 4.19Å; Y193-Y215 AromaticContact CD2-CD2 3.91Å; Y193-Y215 HydrophobicContact CD2-CD2 3.91Å; Y193-Y215 AromaticContact CD2-CG 3.74Å; Y193-Y215 HydrophobicContact CD2-CG 3.74Å; Y193-Y215 AromaticContact CE2-CD1 3.55Å; Y193-Y215 HydrophobicContact CE2-CD1 3.55Å; Y193-Y215 HydrophobicContact CE2-CD2 4.11Å; Y193-Y215 HydrophobicContact CE2-CE1 4.2Å; Y193-Y215 AromaticContact CE2-CG 3.5Å; Y193-Y215 HydrophobicContact CE2-CG 3.5Å; Y193-Y215 VanDerWaalsContact CE2-CG 3.5Å
194	R	75.4	Confident	72.6	Confident	101 Å²	101	58.8 Å²	58.8	38%	0.381	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	94	176.9	-65.3	-167.5	-179.9	-175.6	0.4	109.1	N196 E197 R201	R194-N196 PolarHBondContact O-N 3.04Å; R194-N196 VanDerWaalsContact O-N 3.1Å; R194-E197 HydrophobicContact CB-CB 4.04Å; R194-E197 HydrophobicContact CB-CG 4.31Å; R194-E197 WeakPolarHBondContact CD-OE1 3.18Å; R194-E197 WeakPolarHBondContact CD-OE2 3.39Å; R194-E197 IonicContact CZ-OE1 2.81Å; R194-E197 IonicContact CZ-OE2 3.88Å; R194-E197 IonicContact NE-OE1 3.33Å; R194-E197 IonicContact NE-OE2 3.93Å; R194-E197 VanDerWaalsContact NH1-CD 3.34Å; R194-E197 IonicContact NH1-OE1 3.94Å; R194-E197 PolarHBondContact NH1-OE1 2.85Å; R194-E197 IonicContact NH1-OE2 3.04Å; R194-E197 PolarHBondContact NH1-OE2 2.93Å; R194-E197 PolarHBondContact O-N 3.31Å; R194-R201 HydrophobicContact CB-CB 4.48Å; R194-R201 PolarHBondContact N-O 3.12Å; R194-R201 PolarHBondContact O-N 3.27Å; R194-R201 VanDerWaalsContact O-N 3.09Å
195	P	66.1	Low	73	Confident	64 Å²	64	63.2 Å²	63.2	42%	0.416	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.3	-175.7	20.8	-29.5	0	0	0	113.8	Y193 N200	Y193-P195 HydrophobicContact CD1-CG 4.38Å; Y193-P195 HydrophobicContact CE1-CB 3.62Å; Y193-P195 HydrophobicContact CE1-CG 3.88Å; P195-N200 PolarHBondContact O-OD1 3.4Å
196	N	65.2	Low	73	Confident	160 Å²	160	62.2 Å²	62.2	86%	0.856	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	11.5	-175	-59.4	-19.4	0	0	0	113.4	R194	R194-N196 PolarHBondContact O-N 3.04Å; R194-N196 VanDerWaalsContact O-N 3.1Å
197	E	63.7	Low	73	Confident	70 Å²	70	65.9 Å²	65.9	33%	0.327	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.7	121.1	173.5	-68.9	-178.1	-161.4	0	0	109.3	R194 N200 R201	R194-E197 HydrophobicContact CB-CB 4.04Å; R194-E197 HydrophobicContact CB-CG 4.31Å; R194-E197 WeakPolarHBondContact CD-OE1 3.18Å; R194-E197 WeakPolarHBondContact CD-OE2 3.39Å; R194-E197 IonicContact CZ-OE1 2.81Å; R194-E197 IonicContact CZ-OE2 3.88Å; R194-E197 IonicContact NE-OE1 3.33Å; R194-E197 IonicContact NE-OE2 3.93Å; R194-E197 VanDerWaalsContact NH1-CD 3.34Å; R194-E197 IonicContact NH1-OE1 3.94Å; R194-E197 PolarHBondContact NH1-OE1 2.85Å; R194-E197 IonicContact NH1-OE2 3.04Å; R194-E197 PolarHBondContact NH1-OE2 2.93Å; R194-E197 PolarHBondContact O-N 3.31Å; E197-N200 PolarHBondContact O-N 3.22Å; E197-R201 HydrophobicContact CB-CB 4.13Å; E197-R201 WeakPolarHBondContact O-CA 3.42Å; E197-R201 WeakPolarHBondContact O-CB 2.91Å; E197-R201 PolarHBondContact O-N 3.3Å; E197-R201 IonicContact OE2-NH1 3.72Å; E197-R201 PolarHBondContact OE2-NH1 2.94Å; E197-R201 VanDerWaalsContact OE2-NH1 3.12Å
198	W	55.1	Low	72.8	Confident	187 Å²	187	69.1 Å²	69.1	71%	0.708	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	16.4	119.4	174.7	-72.6	118	0	0	0	121.3	P223	W198-P223 HydrophobicContact CD2-CG 4.09Å; W198-P223 HydrophobicContact CE3-CB 4.5Å; W198-P223 HydrophobicContact CE3-CG 3.01Å; W198-P223 HydrophobicContact CZ3-CG 3.38Å
199	P	58.9	Low	72.7	Confident	33 Å²	33	66.2 Å²	66.2	21%	0.214	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn		-51.8	125.8	-99.7	38	-26.7	0	0	0	107.6	R201 C214 P223	P199-R201 PolarHBondContact O-N 2.8Å; P199-C214 PolarHBondContact O-SG 2.78Å; P199-P223 HydrophobicContact CB-CB 4.04Å; P199-P223 HydrophobicContact CB-CG 4.3Å; P199-P223 VanDerWaalsContact CD-CB 3.49Å; P199-P223 VanDerWaalsContact CD-CG 3.46Å; P199-P223 HydrophobicContact CG-CB 3.56Å; P199-P223 HydrophobicContact CG-CG 4.04Å
200	N	70.2	Confident	72.9	Confident	38 Å²	38	67.3 Å²	67.3	20%	0.203	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	63.7	176.1	-71.4	-9.1	0	0	0	113.1	Y193 P195 E197 L202 Y215 N216	Y193-N200 HydrophobicContact CE2-CB 3.76Å; Y193-N200 PolarHBondContact OH-ND2 2.69Å; Y193-N200 PolarHBondContact OH-OD1 2.83Å; P195-N200 PolarHBondContact O-OD1 3.4Å; E197-N200 PolarHBondContact O-N 3.22Å; N200-L202 PolarHBondContact O-N 3.38Å; N200-Y215 HydrophobicContact CB-CD1 4.44Å; N200-Y215 WeakPolarHBondContact O-CA 3.41Å; N200-Y215 WeakPolarHBondContact O-CB 3.47Å; N200-Y215 PolarHBondContact O-N 2.97Å; N200-N216 PolarHBondContact ND2-ND2 3.37Å; N200-N216 PolarHBondContact ND2-OD1 3.49Å
201	R	75	Confident	72.6	Confident	72 Å²	72	66.1 Å²	66.1	27%	0.272	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134	-175.1	178.2	-178.4	179.9	-166.7	7.9	112	R194 E197 P199 S212	R194-R201 HydrophobicContact CB-CB 4.48Å; R194-R201 PolarHBondContact N-O 3.12Å; R194-R201 PolarHBondContact O-N 3.27Å; R194-R201 VanDerWaalsContact O-N 3.09Å; E197-R201 HydrophobicContact CB-CB 4.13Å; E197-R201 WeakPolarHBondContact O-CA 3.42Å; E197-R201 WeakPolarHBondContact O-CB 2.91Å; E197-R201 PolarHBondContact O-N 3.3Å; E197-R201 IonicContact OE2-NH1 3.72Å; E197-R201 PolarHBondContact OE2-NH1 2.94Å; E197-R201 VanDerWaalsContact OE2-NH1 3.12Å; P199-R201 PolarHBondContact O-N 2.8Å; R201-S212 PolarHBondContact NE-OG 3.02Å; R201-S212 PolarHBondContact NH2-OG 3.13Å
202	L	77.9	Confident	72.9	Confident	9 Å²	9	68 Å²	68	5%	0.047	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.1	166	-162.9	78.6	0	0	0	109.6	H182 A191 F192 N200 S212 V213 Y215	H182-L202 HydrophobicContact CB-CD1 3.55Å; H182-L202 HydrophobicContact CB-CD2 4.26Å; H182-L202 HydrophobicContact CB-CG 4.49Å; A191-L202 HydrophobicContact CB-CD1 4.12Å; A191-L202 HydrophobicContact CB-CD2 3.87Å; A191-L202 HydrophobicContact CB-CG 3.7Å; F192-L202 WeakPolarHBondContact O-CA 3.44Å; N200-L202 PolarHBondContact O-N 3.38Å; L202-S212 WeakPolarHBondContact O-CA 3.37Å; L202-V213 HydrophobicContact CB-CG2 3.96Å; L202-V213 HydrophobicContact CD2-CG2 4.35Å; L202-V213 PolarHBondContact N-O 2.93Å; L202-V213 PolarHBondContact O-N 2.89Å; L202-Y215 HydrophobicContact CD1-CD2 4.14Å
203	H	83.2	Confident	72.6	Confident	43 Å²	43	66.2 Å²	66.2	20%	0.199	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	117.5	-176.8	-178.5	54.6	0	0	0	112.4	A191 F192 Q205 G210 I211 S212	A191-H203 CarbonylContact C-O 3.6Å; A191-H203 WeakPolarHBondContact CA-O 3.3Å; F192-H203 PolarHBondContact N-O 2.65Å; F192-H203 PolarHBondContact O-N 2.65Å; H203-Q205 PolarHBondContact CD2-NE2 2.75Å; H203-Q205 VanDerWaalsContact CD2-NE2 3.31Å; H203-G210 PolarHBondContact CE1-O 3.34Å; H203-G210 PolarHBondContact ND1-O 3.08Å; H203-I211 PolarHBondContact ND1-O 3.18Å; H203-S212 PolarHBondContact ND1-OG 3.49Å
204	C	80.7	Confident	72.6	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.7	179.8	-171.7	0	0	0	0	112.5	C184 C187 A191 A206 C209 I211	C184-C204 HydrophobicContact CB-CB 3.9Å; C184-C204 VanDerWaalsContact CB-SG 3.51Å; C184-C204 VanDerWaalsContact SG-SG 3.66Å; C187-C204 PolarHBondContact SG-SG 3.26Å; A191-C204 HydrophobicContact CB-CB 4.49Å; C204-A206 PolarHBondContact SG-N 2.83Å; C204-A206 VanDerWaalsContact SG-N 3.38Å; C204-C209 HydrophobicContact CB-CB 4.35Å; C204-I211 HydrophobicContact CB-CG2 3.92Å; C204-I211 PolarHBondContact N-O 2.77Å
205	Q	80.5	Confident	72.6	Confident	95 Å²	95	61.5 Å²	61.5	44%	0.444	32%	0.324	S	S	.	.			trans	-94.7	-1.1	178	-65.4	-66.2	-60.8	0	0	114	V190 F192 H203 L207	V190-Q205 WeakPolarHBondContact O-CB 3.45Å; V190-Q205 PolarHBondContact O-N 3.06Å; F192-Q205 VanDerWaalsContact CD2-CD 3.44Å; F192-Q205 HydrophobicContact CD2-CG 3.34Å; F192-Q205 VanDerWaalsContact CE2-CD 3.48Å; F192-Q205 HydrophobicContact CE2-CG 3.38Å; F192-Q205 HydrophobicContact CG-CG 4.5Å; H203-Q205 PolarHBondContact CD2-NE2 2.75Å; H203-Q205 VanDerWaalsContact CD2-NE2 3.31Å; Q205-L207 PolarHBondContact O-N 2.97Å
206	A	72.7	Confident	72.8	Confident	34 Å²	34	59.5 Å²	59.5	28%	0.281	31%	0.31	S	S	.	.			trans	-69.9	127.9	175.4	0	0	0	0	0	109.6	C204 D208 C209 G210	C204-A206 PolarHBondContact SG-N 2.83Å; C204-A206 VanDerWaalsContact SG-N 3.38Å; A206-D208 PolarHBondContact O-N 3.28Å; A206-D208 VanDerWaalsContact O-N 3.13Å; A206-C209 HydrophobicContact CB-CB 3.97Å; A206-C209 PolarHBondContact O-N 3.09Å; A206-G210 PolarHBondContact O-N 3.32Å
207	L	71.8	Confident	73.1	Confident	176 Å²	176	53.5 Å²	53.5	92%	0.921	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.6	-178.2	-68.2	172.3	0	0	0	113.2	Q205	Q205-L207 PolarHBondContact O-N 2.97Å
208	D	73.5	Confident	73.5	Confident	124 Å²	124	55.3 Å²	55.3	66%	0.663	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-7	-178.3	-70.6	-4.3	0	0	0	113.1	A206 R249	A206-D208 PolarHBondContact O-N 3.28Å; A206-D208 VanDerWaalsContact O-N 3.13Å; D208-R249 IonicContact OD2-CZ 4Å; D208-R249 IonicContact OD2-NH1 2.93Å; D208-R249 PolarHBondContact OD2-NH1 3.1Å
209	C	75.8	Confident	74.1	Confident	33 Å²	33	54.8 Å²	54.8	22%	0.223	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-62.4	-176.8	-172	0	0	0	0	111.9	C187 C204 A206 I211	C187-C209 HydrophobicContact CB-CB 4.02Å; C187-C209 VanDerWaalsContact SG-CB 3.6Å; C204-C209 HydrophobicContact CB-CB 4.35Å; A206-C209 HydrophobicContact CB-CB 3.97Å; A206-C209 PolarHBondContact O-N 3.09Å; C209-I211 PolarHBondContact O-N 2.79Å; C209-I211 WeakPolarHBondContact SG-CG2 2.88Å
210	G	77	Confident	74.4	Confident	39 Å²	39	60.2 Å²	60.2	40%	0.402	31%	0.309	S	S	.	.			trans	55.3	5.8	177.7	0	0	0	0	0	116.7	H203 A206	H203-G210 PolarHBondContact CE1-O 3.34Å; H203-G210 PolarHBondContact ND1-O 3.08Å; A206-G210 PolarHBondContact O-N 3.32Å
211	I	70.6	Confident	74	Confident	23 Å²	23	61.2 Å²	61.2	12%	0.118	31%	0.312	C	S	.	.			trans	-65.2	145.4	-171.8	-163.1	178.5	0	0	0	110.8	V186 H203 C204 C209 V213 E220	V186-I211 HydrophobicContact CG2-CD1 3.52Å; V186-I211 HydrophobicContact CG2-CG2 4.25Å; H203-I211 PolarHBondContact ND1-O 3.18Å; C204-I211 HydrophobicContact CB-CG2 3.92Å; C204-I211 PolarHBondContact N-O 2.77Å; C209-I211 PolarHBondContact O-N 2.79Å; C209-I211 WeakPolarHBondContact SG-CG2 2.88Å; I211-V213 HydrophobicContact CD1-CG1 3.68Å; I211-V213 HydrophobicContact CG1-CG1 3.88Å; I211-E220 HydrophobicContact CD1-CG 3.69Å; I211-E220 WeakPolarHBondContact CD1-OE1 3.41Å; I211-E220 HydrophobicContact CG1-CG 3.84Å; I211-E220 VanDerWaalsContact CG1-OE1 3.3Å; I211-E220 WeakPolarHBondContact CG1-OE1 3.19Å
212	S	81.3	Confident	72.9	Confident	42 Å²	42	61.7 Å²	61.7	29%	0.294	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.4	170.1	-57.9	0	0	0	0	108.7	R201 L202 H203	R201-S212 PolarHBondContact NE-OG 3.02Å; R201-S212 PolarHBondContact NH2-OG 3.13Å; L202-S212 WeakPolarHBondContact O-CA 3.37Å; H203-S212 PolarHBondContact ND1-OG 3.49Å
213	V	74.4	Confident	71.6	Confident	6 Å²	6	63.4 Å²	63.4	4%	0.036	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158	179.3	-61.3	0	0	0	0	110	P185 L202 I211 Y215 R219 E220	P185-V213 HydrophobicContact CG-CG2 3.95Å; L202-V213 HydrophobicContact CB-CG2 3.96Å; L202-V213 HydrophobicContact CD2-CG2 4.35Å; L202-V213 PolarHBondContact N-O 2.93Å; L202-V213 PolarHBondContact O-N 2.89Å; I211-V213 HydrophobicContact CD1-CG1 3.68Å; I211-V213 HydrophobicContact CG1-CG1 3.88Å; V213-Y215 PolarHBondContact O-N 2.93Å; V213-R219 WeakPolarHBondContact CA-O 3.39Å; V213-E220 HydrophobicContact CG1-CG 4.06Å
214	C	76.1	Confident	70	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.2	165.8	168.2	0	0	0	0	109.2	P199 N216 C217 Q218 R219	P199-C214 PolarHBondContact O-SG 2.78Å; C214-N216 VanDerWaalsContact C-N 3.25Å; C214-N216 PolarHBondContact O-N 2.8Å; C214-N216 PolarHBondContact SG-N 2.85Å; C214-N216 VanDerWaalsContact SG-N 3.38Å; C214-C217 WeakPolarHBondContact CB-SG 3.48Å; C214-Q218 WeakPolarHBondContact O-CA 3.33Å; C214-Q218 PolarHBondContact O-N 3.49Å; C214-R219 PolarHBondContact N-O 2.79Å
215	Y	74.5	Confident	68.6	Low	40 Å²	40	72.2 Å²	72.2	16%	0.157	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-35.9	178.4	173.8	-112.2	0	0	0	112.2	H182 Y193 N200 L202 V213	H182-Y215 AromaticContact CE1-CE2 3.37Å; H182-Y215 WeakPolarHBondContact CE1-CE2 3.14Å; H182-Y215 AromaticContact CE1-CZ 3.7Å; H182-Y215 PolarHBondContact CE1-OH 2.9Å; H182-Y215 AromaticContact ND1-CE2 3.48Å; H182-Y215 WeakPolarHBondContact ND1-CE2 3.37Å; H182-Y215 AromaticContact NE2-CE2 3.87Å; Y193-Y215 HydrophobicContact CD2-CD1 4.19Å; Y193-Y215 AromaticContact CD2-CD2 3.91Å; Y193-Y215 HydrophobicContact CD2-CD2 3.91Å; Y193-Y215 AromaticContact CD2-CG 3.74Å; Y193-Y215 HydrophobicContact CD2-CG 3.74Å; Y193-Y215 AromaticContact CE2-CD1 3.55Å; Y193-Y215 HydrophobicContact CE2-CD1 3.55Å; Y193-Y215 HydrophobicContact CE2-CD2 4.11Å; Y193-Y215 HydrophobicContact CE2-CE1 4.2Å; Y193-Y215 AromaticContact CE2-CG 3.5Å; Y193-Y215 HydrophobicContact CE2-CG 3.5Å; Y193-Y215 VanDerWaalsContact CE2-CG 3.5Å; N200-Y215 HydrophobicContact CB-CD1 4.44Å; N200-Y215 WeakPolarHBondContact O-CA 3.41Å; N200-Y215 WeakPolarHBondContact O-CB 3.47Å; N200-Y215 PolarHBondContact O-N 2.97Å; L202-Y215 HydrophobicContact CD1-CD2 4.14Å; V213-Y215 PolarHBondContact O-N 2.93Å
216	N	71.8	Confident	67.4	Low	22 Å²	22	76.2 Å²	76.2	12%	0.118	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-47.1	-174.4	-57.7	-16.7	0	0	0	111.8	N200 C214 M229 T230	N200-N216 PolarHBondContact ND2-ND2 3.37Å; N200-N216 PolarHBondContact ND2-OD1 3.49Å; C214-N216 VanDerWaalsContact C-N 3.25Å; C214-N216 PolarHBondContact O-N 2.8Å; C214-N216 PolarHBondContact SG-N 2.85Å; C214-N216 VanDerWaalsContact SG-N 3.38Å; N216-M229 WeakPolarHBondContact ND2-CE 3.2Å; N216-M229 PolarHBondContact ND2-SD 3.15Å; N216-T230 PolarHBondContact O-OG1 3.47Å
217	C	69.5	Low	66.9	Low	33 Å²	33	75.6 Å²	75.6	22%	0.223	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-3.5	-174.8	66.2	0	0	0	0	114.7	C214 R219 H221	C214-C217 WeakPolarHBondContact CB-SG 3.48Å; C217-R219 PolarHBondContact O-N 3.38Å; C217-H221 PolarHBondContact SG-CE1 3.28Å; C217-H221 PolarHBondContact SG-NE2 3.39Å
218	Q	74.1	Confident	66	Low	108 Å²	108	75.2 Å²	75.2	51%	0.505	39%	0.393	S	S	.	.			trans	56.5	19	179	-55.9	-177.8	7.3	0	0	115.4	P185 C214	P185-Q218 HydrophobicContact CB-CB 4.43Å; P185-Q218 HydrophobicContact CG-CB 4.36Å; C214-Q218 WeakPolarHBondContact O-CA 3.33Å; C214-Q218 PolarHBondContact O-N 3.49Å
219	R	66.7	Low	64.9	Low	176 Å²	176	75.5 Å²	75.5	66%	0.664	39%	0.392	S	S	*	.	S	Bend	trans	-101.4	150.9	178.3	-68.7	179.3	-174.4	-175.8	1.2	111.8	V213 C214 C217 H221	V213-R219 WeakPolarHBondContact CA-O 3.39Å; C214-R219 PolarHBondContact N-O 2.79Å; C217-R219 PolarHBondContact O-N 3.38Å; R219-H221 VanDerWaalsContact C-N 3.31Å; R219-H221 WeakPolarHBondContact CB-CD2 3.15Å; R219-H221 PolarHBondContact O-N 3.49Å
220	E	65.8	Low	63.5	Low	147 Å²	147	78.4 Å²	78.4	69%	0.687	41%	0.409	S	S	*	.	S	Bend	trans	-75	79.7	171.2	-65.3	-177	-161.6	0	0	109.7	I211 V213	I211-E220 HydrophobicContact CD1-CG 3.69Å; I211-E220 WeakPolarHBondContact CD1-OE1 3.41Å; I211-E220 HydrophobicContact CG1-CG 3.84Å; I211-E220 VanDerWaalsContact CG1-OE1 3.3Å; I211-E220 WeakPolarHBondContact CG1-OE1 3.19Å; V213-E220 HydrophobicContact CG1-CG 4.06Å
221	H	60.4	Low	61.9	Low	60 Å²	60	82.2 Å²	82.2	28%	0.278	43%	0.427	S	S	.	.			trans	-149.8	147.6	171.1	62.4	71	0	0	0	112.3	C217 R219	C217-H221 PolarHBondContact SG-CE1 3.28Å; C217-H221 PolarHBondContact SG-NE2 3.39Å; R219-H221 VanDerWaalsContact C-N 3.31Å; R219-H221 WeakPolarHBondContact CB-CD2 3.15Å; R219-H221 PolarHBondContact O-N 3.49Å
222	S	52.3	Low	60.6	Low	81 Å²	81	88 Å²	88	57%	0.566	46%	0.458	S	S	*	.	S	Bend	trans	-53.3	155.3	156.6	-51.3	0	0	0	0	109.1	S224	S222-S224 PolarHBondContact O-N 2.97Å
223	P	51.9	Low	58.7	Low	46 Å²	46	87.8 Å²	87.8	30%	0.299	46%	0.457	S	S	.	.			trans	-55.5	112.4	178.8	3.4	3.7	0	0	0	107	W198 P199	W198-P223 HydrophobicContact CD2-CG 4.09Å; W198-P223 HydrophobicContact CE3-CB 4.5Å; W198-P223 HydrophobicContact CE3-CG 3.01Å; W198-P223 HydrophobicContact CZ3-CG 3.38Å; P199-P223 HydrophobicContact CB-CB 4.04Å; P199-P223 HydrophobicContact CB-CG 4.3Å; P199-P223 VanDerWaalsContact CD-CB 3.49Å; P199-P223 VanDerWaalsContact CD-CG 3.46Å; P199-P223 HydrophobicContact CG-CB 3.56Å; P199-P223 HydrophobicContact CG-CG 4.04Å
224	S	48.6	Very low	57	Low	52 Å²	52	92.2 Å²	92.2	36%	0.364	49%	0.486	S	S	.	.			trans	-81.9	145.5	151.7	58.5	0	0	0	0	105.5	S222 K226 C227	S222-S224 PolarHBondContact O-N 2.97Å; S224-K226 PolarHBondContact O-N 2.72Å; S224-C227 PolarHBondContact O-N 3.2Å
225	D	52.2	Low	55.2	Low	178 Å²	178	96.7 Å²	96.7	95%	0.952	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-8.2	166.7	-60.2	-47.2	0	0	0	112.6
226	K	55.3	Low	53.3	Low	179 Å²	179	98 Å²	98	78%	0.778	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	10.1	178.4	-54.9	-173.7	180	-176.6	0	114.1	S224 Q228	S224-K226 PolarHBondContact O-N 2.72Å; K226-Q228 VanDerWaalsContact C-N 3.34Å; K226-Q228 PolarHBondContact O-N 3.01Å
227	C	60.5	Low	51.4	Low	21 Å²	21	108.2 Å²	108.2	14%	0.142	56%	0.564	C	S	.	*			trans	-68.5	92.5	173.9	-166.2	0	0	0	0	109.5	S224 M229	S224-C227 PolarHBondContact O-N 3.2Å; C227-M229 PolarHBondContact O-N 3.08Å
228	Q	54.4	Low	49.8	Very low	168 Å²	168	110.1 Å²	110.1	79%	0.785	57%	0.571	S	S	*	*			trans	-63	112	174.2	-70.2	-178.7	-2.5	0	0	108.3	K226 T230	K226-Q228 VanDerWaalsContact C-N 3.34Å; K226-Q228 PolarHBondContact O-N 3.01Å; Q228-T230 PolarHBondContact O-N 3.18Å
229	M	50.6	Low	47.7	Very low	131 Å²	131	109.5 Å²	109.5	65%	0.645	58%	0.579	S	S	*	*			trans	-64.9	97.1	173	-69.5	-81.1	174	0	0	107.9	N216 C227 P231	N216-M229 WeakPolarHBondContact ND2-CE 3.2Å; N216-M229 PolarHBondContact ND2-SD 3.15Å; C227-M229 PolarHBondContact O-N 3.08Å; M229-P231 VanDerWaalsContact O-CD 3.27Å; M229-P231 WeakPolarHBondContact O-CD 3.42Å
230	T	46.4	Very low	46.2	Very low	94 Å²	94	106.8 Å²	106.8	58%	0.577	58%	0.584	S	S	*	*			trans	-73.6	114.7	163.3	20.8	0	0	0	0	108.1	N216 Q228 D232	N216-T230 PolarHBondContact O-OG1 3.47Å; Q228-T230 PolarHBondContact O-N 3.18Å; T230-D232 PolarHBondContact O-N 3.35Å
231	P	42.9	Very low	44.9	Very low	118 Å²	118	104.9 Å²	104.9	77%	0.766	58%	0.578	S	S	*	*	S	Bend	trans	-66.7	-14.9	-176	-18.2	31.8	0	0	0	114.1	M229	M229-P231 VanDerWaalsContact O-CD 3.27Å; M229-P231 WeakPolarHBondContact O-CD 3.42Å
232	D	43.5	Very low	43.7	Very low	144 Å²	144	109.8 Å²	109.8	77%	0.77	60%	0.601	S	S	*	*			trans	-113.9	50.9	-166.4	-60.3	-45.4	0	0	0	113.3	T230 P234	T230-D232 PolarHBondContact O-N 3.35Å; D232-P234 WeakPolarHBondContact O-CD 3.23Å
233	S	40	Very low	42.9	Very low	39 Å²	39	112 Å²	112	27%	0.273	61%	0.613	S	S	.	*			trans	-73.6	120.3	166.5	-171.7	0	0	0	0	109.2	V235	S233-V235 PolarHBondContact O-N 2.75Å
234	P	40.4	Very low	42.1	Very low	99 Å²	99	121 Å²	121	64%	0.643	64%	0.641	S	S	*	*			trans	-64.3	109.8	177.6	25.9	-31.6	0	0	0	108.1	D232 C236	D232-P234 WeakPolarHBondContact O-CD 3.23Å; P234-C236 PolarHBondContact O-N 3.16Å
235	V	37.4	Very low	41.5	Very low	94 Å²	94	123 Å²	123	57%	0.57	66%	0.662	S	S	*	*			trans	-65.5	80.6	162.7	-179	0	0	0	0	106.6	S233 R237	S233-V235 PolarHBondContact O-N 2.75Å; V235-R237 PolarHBondContact O-N 3.49Å
236	C	34	Very low	40.9	Very low	69 Å²	69	119.4 Å²	119.4	47%	0.466	65%	0.65	S	S	.	*			trans	-68.2	103.7	169.7	-79.1	0	0	0	0	106.8	P234 L238	P234-C236 PolarHBondContact O-N 3.16Å; C236-L238 VanDerWaalsContact C-N 3.29Å; C236-L238 PolarHBondContact O-N 3.48Å
237	R	32.9	Very low	40.3	Very low	236 Å²	236	116.1 Å²	116.1	89%	0.891	65%	0.647	S	S	*	*			trans	-57.8	102.7	157	-73.9	-173.7	177.7	167.2	1.5	105.9	V235 S239	V235-R237 PolarHBondContact O-N 3.49Å; R237-S239 PolarHBondContact O-N 3.38Å
238	L	35.3	Very low	39.4	Very low	72 Å²	72	122.1 Å²	122.1	38%	0.377	68%	0.683	S	S	.	*			trans	-58.5	107.9	173.4	-77.4	166.7	0	0	0	107.4	P183 C236	P183-L238 HydrophobicContact CB-CD2 4.23Å; P183-L238 HydrophobicContact CG-CD2 4.49Å; C236-L238 VanDerWaalsContact C-N 3.29Å; C236-L238 PolarHBondContact O-N 3.48Å
239	S	30.3	Very low	38.9	Very low	95 Å²	95	120.8 Å²	120.8	66%	0.664	67%	0.671	S	S	*	*			trans	-48	146.7	157.9	-48	0	0	0	0	108.1	R237 I241	R237-S239 PolarHBondContact O-N 3.38Å; S239-I241 PolarHBondContact O-N 2.94Å
240	P	34.5	Very low	38.8	Very low	120 Å²	120	117.1 Å²	117.1	78%	0.779	66%	0.658	S	S	*	*			trans	-48.6	117.4	179.4	-23	31.2	0	0	0	109.3	Q242	P240-Q242 PolarHBondContact O-N 3.28Å
241	I	38.7	Very low	39.1	Very low	106 Å²	106	118.2 Å²	118.2	54%	0.544	67%	0.667	S	S	.	*			trans	-52	108.6	-177.9	-66.1	168	0	0	0	106.9	V190 S239	V190-I241 HydrophobicContact CG2-CD1 3.65Å; S239-I241 PolarHBondContact O-N 2.94Å
242	Q	35.8	Very low	39.6	Very low	164 Å²	164	122.4 Å²	122.4	77%	0.766	67%	0.668	S	S	*	*			trans	-57.8	135.3	164.9	-77.4	-162.2	-17	0	0	107	P240 R244	P240-Q242 PolarHBondContact O-N 3.28Å; Q242-R244 PolarHBondContact O-N 2.83Å
243	P	36.1	Very low	40	Very low	128 Å²	128	118.3 Å²	118.3	83%	0.831	65%	0.648	S	S	*	*			trans	-66.2	89.6	176	27.6	-31.3	0	0	0	107.8	A245	P243-A245 PolarHBondContact O-N 3.21Å
244	R	33.6	Very low	40.6	Very low	233 Å²	233	124.9 Å²	124.9	88%	0.879	67%	0.667	S	S	*	*			trans	-60.6	123.2	164.7	-81.6	-165.6	175	-159.6	0.1	106.1	Q242 S246	Q242-R244 PolarHBondContact O-N 2.83Å; R244-S246 PolarHBondContact O-N 3.36Å
245	A	37	Very low	41.3	Very low	96 Å²	96	123 Å²	123	79%	0.793	66%	0.66	S	S	*	*			trans	-44.4	116.6	172.4	0	0	0	0	0	108.2	P243	P243-A245 PolarHBondContact O-N 3.21Å
246	S	40.3	Very low	42	Very low	101 Å²	101	128 Å²	128	71%	0.706	67%	0.668	S	S	*	*			trans	-53.2	135.6	173.5	-46.2	0	0	0	0	107.2	R244 T248	R244-S246 PolarHBondContact O-N 3.36Å; S246-T248 PolarHBondContact O-N 3.03Å; S246-T248 VanDerWaalsContact O-N 3.08Å
247	P	41.1	Very low	42.7	Very low	110 Å²	110	128.3 Å²	128.3	71%	0.714	67%	0.665	S	S	*	*			trans	-53	126.8	171.8	-14.2	25.5	0	0	0	106.5	R249	P247-R249 PolarHBondContact O-N 3.02Å
248	T	42.6	Very low	43.6	Very low	148 Å²	148	122.7 Å²	122.7	91%	0.908	65%	0.65	S	S	*	*			trans	-66.1	70.3	179.7	-35.5	0	0	0	0	108.7	S246 S250	S246-T248 PolarHBondContact O-N 3.03Å; S246-T248 VanDerWaalsContact O-N 3.08Å; T248-S250 PolarHBondContact O-N 2.81Å
249	R	44.1	Very low	44.4	Very low	139 Å²	139	126.3 Å²	126.3	53%	0.525	66%	0.663	S	S	.	*			trans	-64.9	120.2	173.5	-85.6	-176.6	171.3	177.8	-5.1	105.9	D208 P247	D208-R249 IonicContact OD2-CZ 4Å; D208-R249 IonicContact OD2-NH1 2.93Å; D208-R249 PolarHBondContact OD2-NH1 3.1Å; P247-R249 PolarHBondContact O-N 3.02Å
250	S	47.8	Very low	44.8	Very low	54 Å²	54	124.1 Å²	124.1	38%	0.378	65%	0.651	S	S	.	*			trans	-49.2	147.3	-180	78.3	0	0	0	0	110.5	T248 R252 T253 R254	T248-S250 PolarHBondContact O-N 2.81Å; S250-R252 PolarHBondContact O-N 2.89Å; S250-T253 PolarHBondContact O-N 3.47Å; S250-T253 PolarHBondContact OG-N 2.98Å; S250-T253 PolarHBondContact OG-OG1 2.88Å; S250-R254 PolarHBondContact O-N 3.15Å
251	P	52.4	Low	45.3	Very low	118 Å²	118	122 Å²	122	77%	0.766	64%	0.638	S	S	*	*	H	α-helix	trans	-49.9	-31.1	176.9	-27.3	33.5	0	0	0	113.3	A255	P251-A255 PolarHBondContact O-N 3.49Å; P251-A255 VanDerWaalsContact O-N 3.17Å
252	R	53.7	Low	45.9	Very low	206 Å²	206	122.9 Å²	122.9	78%	0.777	64%	0.644	S	S	*	*	H	α-helix	trans	-65.6	-39.4	176.5	-79.8	-177.6	172.4	168.1	-1.8	113.1	S250 A255 R256	S250-R252 PolarHBondContact O-N 2.89Å; R252-A255 PolarHBondContact O-N 3.44Å; R252-R256 WeakPolarHBondContact O-CG 3.27Å; R252-R256 PolarHBondContact O-N 3.02Å; R252-R256 VanDerWaalsContact O-N 3.17Å
253	T	51.5	Low	46.4	Very low	58 Å²	58	125 Å²	125	36%	0.356	65%	0.645	S	S	.	*	H	α-helix	trans	-71	-39.3	-178.6	-34.8	0	0	0	0	111.2	S250 R256 L257	S250-T253 PolarHBondContact O-N 3.47Å; S250-T253 PolarHBondContact OG-N 2.98Å; S250-T253 PolarHBondContact OG-OG1 2.88Å; T253-R256 PolarHBondContact O-N 3.21Å; T253-L257 PolarHBondContact O-N 3.35Å
254	R	53	Low	46.9	Very low	177 Å²	177	129.9 Å²	129.9	67%	0.668	65%	0.647	S	S	*	*	H	α-helix	trans	-63.9	-41.3	175.4	-174.8	175.7	175.5	153.9	1.2	112.1	S250 L257 M258	S250-R254 PolarHBondContact O-N 3.15Å; R254-L257 PolarHBondContact O-N 3.28Å; R254-M258 PolarHBondContact O-N 2.85Å
255	A	54.7	Low	47.2	Very low	60 Å²	60	128.6 Å²	128.6	50%	0.496	66%	0.656	S	S	.	*	H	α-helix	trans	-64.8	-38.3	176.6	0	0	0	0	0	112.7	P251 R252 K259	P251-A255 PolarHBondContact O-N 3.49Å; P251-A255 VanDerWaalsContact O-N 3.17Å; R252-A255 PolarHBondContact O-N 3.44Å; A255-K259 PolarHBondContact O-N 3.02Å; A255-K259 VanDerWaalsContact O-N 3.07Å
256	R	52.8	Low	47.8	Very low	197 Å²	197	130.2 Å²	130.2	74%	0.743	65%	0.649	S	S	*	*	H	α-helix	trans	-65.8	-41.5	177.1	-75	-178.4	178.2	-174.6	-0.8	112.6	R252 T253 K259 A260	R252-R256 WeakPolarHBondContact O-CG 3.27Å; R252-R256 PolarHBondContact O-N 3.02Å; R252-R256 VanDerWaalsContact O-N 3.17Å; T253-R256 PolarHBondContact O-N 3.21Å; R256-K259 PolarHBondContact O-N 3.36Å; R256-A260 PolarHBondContact O-N 2.73Å
257	L	48.2	Very low	48.1	Very low	76 Å²	76	131.7 Å²	131.7	40%	0.398	65%	0.646	S	S	.	*	H	α-helix	trans	-65.6	-40.4	177	-81.7	159.8	0	0	0	112.7	T253 R254 A260 S261	T253-L257 PolarHBondContact O-N 3.35Å; R254-L257 PolarHBondContact O-N 3.28Å; L257-A260 PolarHBondContact O-N 2.89Å; L257-S261 PolarHBondContact O-N 3.06Å; L257-S261 PolarHBondContact O-OG 2.88Å
258	M	51.4	Low	48.5	Very low	119 Å²	119	132.9 Å²	132.9	59%	0.586	64%	0.642	S	S	*	*	H	α-helix	trans	-65.8	-40.1	174.5	-76.9	-163.6	147.1	0	0	112.3	R254 A260 S261 L262	R254-M258 PolarHBondContact O-N 2.85Å; M258-A260 VanDerWaalsContact C-N 3.32Å; M258-A260 PolarHBondContact O-N 2.92Å; M258-S261 PolarHBondContact O-N 3.04Å; M258-L262 PolarHBondContact O-N 3.47Å; M258-L262 VanDerWaalsContact O-N 3.07Å
259	K	53.5	Low	48.9	Very low	147 Å²	147	132.1 Å²	132.1	64%	0.639	63%	0.627	S	S	*	*	H	α-helix	trans	-62.5	-36.7	173.9	-109.8	-178.8	178	-178.8	0	112.8	A255 R256 R263	A255-K259 PolarHBondContact O-N 3.02Å; A255-K259 VanDerWaalsContact O-N 3.07Å; R256-K259 PolarHBondContact O-N 3.36Å; K259-R263 WeakPolarHBondContact O-CG 3.39Å; K259-R263 PolarHBondContact O-N 3.18Å
260	A	39	Very low	49.2	Very low	50 Å²	50	131.6 Å²	131.6	41%	0.413	63%	0.633	S	S	.	*	H	α-helix	trans	-71.9	-36.7	177.9	0	0	0	0	0	112.4	R256 L257 M258 R263	R256-A260 PolarHBondContact O-N 2.73Å; L257-A260 PolarHBondContact O-N 2.89Å; M258-A260 VanDerWaalsContact C-N 3.32Å; M258-A260 PolarHBondContact O-N 2.92Å; A260-R263 PolarHBondContact O-N 2.98Å
261	S	45.1	Very low	49.3	Very low	74 Å²	74	136.8 Å²	136.8	52%	0.517	65%	0.65	S	S	.	*	H	α-helix	trans	-70.7	-35.6	178.7	-52.7	0	0	0	0	112.1	L257 M258 R263 R264	L257-S261 PolarHBondContact O-N 3.06Å; L257-S261 PolarHBondContact O-OG 2.88Å; M258-S261 PolarHBondContact O-N 3.04Å; S261-R263 VanDerWaalsContact C-N 3.3Å; S261-R263 PolarHBondContact O-N 3.07Å; S261-R264 PolarHBondContact O-N 2.93Å
262	L	50.5	Low	49.1	Very low	125 Å²	125	138.1 Å²	138.1	65%	0.654	64%	0.642	S	S	*	*	H	α-helix	trans	-69.4	-20.2	175	-86.5	158	0	0	0	114.2	M258	M258-L262 PolarHBondContact O-N 3.47Å; M258-L262 VanDerWaalsContact O-N 3.07Å
263	R	46.6	Very low	48.7	Very low	209 Å²	209	132.9 Å²	132.9	79%	0.789	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-8.2	175.7	-72.8	-176.8	-170.3	-166.1	-0.2	113.7	K259 A260 S261	K259-R263 WeakPolarHBondContact O-CG 3.39Å; K259-R263 PolarHBondContact O-N 3.18Å; A260-R263 PolarHBondContact O-N 2.98Å; S261-R263 VanDerWaalsContact C-N 3.3Å; S261-R263 PolarHBondContact O-N 3.07Å
264	R	46.1	Very low	48.5	Very low	231 Å²	231	139.2 Å²	139.2	87%	0.872	65%	0.654	S	S	*	*			trans	-102.7	-7.8	-179.4	-71.9	-175.1	-177.5	178.1	-0.2	113.4	S261	S261-R264 PolarHBondContact O-N 2.93Å
265	L	40.8	Very low	48	Very low	205 Å²	205	135.7 Å²	135.7	100%	1.073	65%	0.653	S	S	*	*			trans	-96.1	0	169.7	-72	167.7	0	0	0	108.8

Retrieved 265 of 265 residues in 97.1 ms (Link to these results)

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