A0A3Q0KRC1_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 676 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	32.7	Very low	29.1	Very low	229 Å²	229	146.8 Å²	146.8	100%	1.128	82%	0.822	S	S	*	*				0	99.6	0	-158.2	167.3	-178.8	0	0	105.7
2	C	23.3	Very low	28.8	Very low	127 Å²	127	147.2 Å²	147.2	86%	0.858	82%	0.818	S	S	*	*			trans	-92.5	120.1	176.2	-66.9	0	0	0	0	107.3
3	I	31.8	Very low	28.7	Very low	149 Å²	149	144 Å²	144	76%	0.764	81%	0.812	S	S	*	*			trans	-125.1	94.7	160.6	-59	178.2	0	0	0	104.7
4	T	32.2	Very low	28.5	Very low	136 Å²	136	141.1 Å²	141.1	83%	0.834	80%	0.803	S	S	*	*			trans	-68.9	120.5	160.2	44.4	0	0	0	0	107.3
5	G	28.5	Very low	28.7	Very low	69 Å²	69	140.6 Å²	140.6	71%	0.711	81%	0.809	S	S	*	*			trans	-133.4	91.5	166.6	0	0	0	0	0	107.9
6	D	26.5	Very low	28.8	Very low	150 Å²	150	141.7 Å²	141.7	80%	0.802	80%	0.804	S	S	*	*			trans	-55.3	135.8	155.3	-79.6	-38.4	0	0	0	108.2
7	H	33.1	Very low	28.6	Very low	181 Å²	181	143.2 Å²	143.2	84%	0.838	80%	0.8	S	S	*	*				-175.8	128.4	127.8	-89.9	-53.3	0	0	0	110.4
8	D	29.1	Very low	28.7	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	80%	0.797	S	S	*	*			trans	-42.1	136.6	173.4	-55.2	-71.5	0	0	0	114.5
9	T	29	Very low	28.9	Very low	113 Å²	113	143.3 Å²	143.3	69%	0.693	80%	0.795	S	S	*	*			trans	-174.4	128.8	138	21.6	0	0	0	0	110.3
10	P	27.6	Very low	28.9	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	80%	0.796	S	S	*	*			trans	-86.9	112.7	172.9	32.8	-26.7	0	0	0	109.3	I12	P10-I12 PolarHBondContact O-N 3.28Å
11	F	26.5	Very low	28.9	Very low	193 Å²	193	147.6 Å²	147.6	85%	0.846	80%	0.799	S	S	*	*			trans	-90.9	97.6	167.3	-95.2	-85.7	0	0	0	110.1
12	I	25.7	Very low	28.9	Very low	151 Å²	151	146 Å²	146	77%	0.774	79%	0.785	S	S	*	*			trans	-75.7	119.1	157.4	-65	169.9	0	0	0	106.7	P10	P10-I12 PolarHBondContact O-N 3.28Å
13	S	26.9	Very low	29.3	Very low	106 Å²	106	149 Å²	149	74%	0.741	78%	0.784	S	S	*	*			trans	-109.9	117.4	165.8	-175.5	0	0	0	0	109.3
14	P	26.9	Very low	29.1	Very low	104 Å²	104	146.5 Å²	146.5	68%	0.675	78%	0.78	S	S	*	*			trans	-94.2	118.5	179.1	32.9	-26.6	0	0	0	111.4
15	C	30.3	Very low	29.2	Very low	133 Å²	133	147.7 Å²	147.7	90%	0.899	78%	0.775	S	S	*	*			trans	-119.3	100.4	159.1	-79.4	0	0	0	0	109.8
16	H	30.9	Very low	29.2	Very low	158 Å²	158	150.5 Å²	150.5	73%	0.731	77%	0.773	S	S	*	*			trans	-75.2	141.4	179.7	-134.1	-110.5	0	0	0	111.2
17	F	25.3	Very low	29.5	Very low	168 Å²	168	152.1 Å²	152.1	74%	0.737	77%	0.773	S	S	*	*			trans	53	119.7	139.5	-92.9	-107.5	0	0	0	120.1
18	L	30.2	Very low	29.2	Very low	141 Å²	141	150.7 Å²	150.7	74%	0.738	77%	0.772	S	S	*	*				174.7	128.8	109.9	-91.2	167.3	0	0	0	112.9
19	L	31.7	Very low	29.3	Very low	146 Å²	146	148.5 Å²	148.5	76%	0.764	77%	0.768	S	S	*	*			trans	76	134	150	-55.7	159.7	0	0	0	117
20	D	30.1	Very low	29.2	Very low	152 Å²	152	148 Å²	148	81%	0.813	77%	0.765	S	S	*	*			cis	-158.5	162.9	18.1	-149.5	-10.3	0	0	0	112.3
21	R	28	Very low	29.4	Very low	226 Å²	226	149 Å²	149	85%	0.853	76%	0.764	S	S	*	*			trans	-102.1	131.9	-160.5	-166.8	-174.3	-168.7	179	3.1	110.7
22	K	32.8	Very low	29.6	Very low	194 Å²	194	147.1 Å²	147.1	84%	0.843	76%	0.763	S	S	*	*			trans	161.1	128.6	152.3	-93.5	160.3	-174.5	175.9	0	108.4
23	K	31.9	Very low	29.6	Very low	192 Å²	192	147.8 Å²	147.8	84%	0.835	77%	0.767	S	S	*	*			cis	-157.5	141.8	18.4	-100	170.5	173.7	177.7	0	108.8
24	S	27.8	Very low	29.8	Very low	96 Å²	96	148 Å²	148	67%	0.671	77%	0.769	S	S	*	*			trans	-75.6	153.7	164.1	49.8	0	0	0	0	112
25	H	34.1	Very low	29.8	Very low	161 Å²	161	147 Å²	147	75%	0.745	76%	0.764	S	S	*	*			trans	-177.7	123.4	130.8	-94.9	-60	0	0	0	112.7
26	L	28.9	Very low	29.9	Very low	127 Å²	127	147.2 Å²	147.2	67%	0.665	76%	0.757	S	S	*	*			trans	73.6	128.4	131.3	-63.7	163.6	0	0	0	117.8
27	F	31.8	Very low	29.9	Very low	184 Å²	184	147.2 Å²	147.2	81%	0.807	76%	0.762	S	S	*	*			cis	-161.9	149.8	22.5	-115.5	-72.3	0	0	0	110.9
28	N	27.2	Very low	29.9	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	77%	0.767	S	S	*	*			trans	-63	150.9	167	-84.2	-24.9	0	0	0	114.2
29	S	31.6	Very low	29.9	Very low	103 Å²	103	147.8 Å²	147.8	72%	0.72	77%	0.772	S	S	*	*				-178.1	97.8	124.8	-173.1	0	0	0	0	108.5
30	T	27.6	Very low	29.7	Very low	102 Å²	102	149.5 Å²	149.5	63%	0.626	78%	0.776	S	S	*	*				55.3	130.8	93	47.4	0	0	0	0	117.4
31	N	30.7	Very low	29.6	Very low	139 Å²	139	151.9 Å²	151.9	74%	0.743	78%	0.783	S	S	*	*			trans	87	128.1	156.4	-54.9	-18.6	0	0	0	116
32	N	31.3	Very low	29.6	Very low	155 Å²	155	150.2 Å²	150.2	83%	0.829	78%	0.782	S	S	*	*			cis	-154.9	149	27.8	-96.1	-37.1	0	0	0	113.1
33	L	26.5	Very low	29.2	Very low	165 Å²	165	146.8 Å²	146.8	86%	0.864	78%	0.779	S	S	*	*			trans	-65.7	153.8	166.2	-83.4	86.6	0	0	0	113.6
34	S	30	Very low	29.1	Very low	110 Å²	110	144.4 Å²	144.4	77%	0.769	77%	0.774	S	S	*	*			trans	-170.3	77.6	143.4	164.7	0	0	0	0	108.9
35	S	27.5	Very low	29.1	Very low	84 Å²	84	147.9 Å²	147.9	59%	0.587	78%	0.779	S	S	*	*				35.4	116.8	106.9	80	0	0	0	0	117
36	N	31.9	Very low	28.9	Very low	137 Å²	137	147 Å²	147	73%	0.733	78%	0.78	S	S	*	*				159.3	105.3	115.2	-82.5	-19.2	0	0	0	111.5
37	N	31.8	Very low	28.7	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	79%	0.785	S	S	*	*				171.2	112.3	104.3	-90.9	-29.4	0	0	0	112.1
38	C	24.7	Very low	28.6	Very low	124 Å²	124	141.1 Å²	141.1	84%	0.838	78%	0.777	S	S	*	*			trans	-54.6	138.6	158.2	-72.1	0	0	0	0	111.6
39	K	29.9	Very low	28.6	Very low	197 Å²	197	141.8 Å²	141.8	86%	0.857	78%	0.78	S	S	*	*			trans	-163.8	108.4	134.8	-107.3	168.9	-172.5	-177.9	0	110.9
40	Q	26.8	Very low	28.2	Very low	183 Å²	183	145.9 Å²	145.9	86%	0.855	79%	0.785	S	S	*	*			trans	19.9	121.3	138.5	-64.5	177	-15.2	0	0	118.2
41	Q	28.9	Very low	28.2	Very low	202 Å²	202	146.3 Å²	146.3	94%	0.944	79%	0.79	S	S	*	*				-152.4	125.4	125.9	-113.6	160.8	14.2	0	0	111.9
42	K	27.6	Very low	27.8	Very low	191 Å²	191	147 Å²	147	83%	0.83	79%	0.793	S	S	*	*			trans	-66.1	159.9	177.7	-91.1	175	171.5	178.8	0	111.9	I44	K42-I44 PolarHBondContact O-N 3.21Å
43	P	25.2	Very low	27.7	Very low	122 Å²	122	146.8 Å²	146.8	79%	0.792	79%	0.791	S	S	*	*			trans	-71.9	127.6	177.6	31.4	-32.4	0	0	0	110
44	I	29.8	Very low	27.5	Very low	141 Å²	141	144.6 Å²	144.6	72%	0.723	79%	0.788	S	S	*	*			trans	-94.6	104.4	171.8	-62.9	177	0	0	0	107.9	K42 N46	K42-I44 PolarHBondContact O-N 3.21Å; I44-N46 PolarHBondContact O-N 3.43Å
45	H	27.3	Very low	27.3	Very low	169 Å²	169	144.2 Å²	144.2	78%	0.782	79%	0.785	S	S	*	*			trans	-56.9	118.9	153.3	-102.6	-89.7	0	0	0	108.7
46	N	30	Very low	27.2	Very low	143 Å²	143	145.7 Å²	145.7	77%	0.765	80%	0.795	S	S	*	*			trans	-120.5	84.4	162	-87.6	-14.5	0	0	0	109.3	I44	I44-N46 PolarHBondContact O-N 3.43Å
47	S	24.6	Very low	26.9	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	80%	0.796	S	S	*	*			trans	-79.4	108.8	155	-41.9	0	0	0	0	107
48	A	30.1	Very low	26.5	Very low	78 Å²	78	144.9 Å²	144.9	65%	0.645	80%	0.795	S	S	*	*			trans	-153	104.6	173.5	0	0	0	0	0	112.4
49	L	27.9	Very low	26.5	Very low	166 Å²	166	147.8 Å²	147.8	87%	0.869	79%	0.794	S	S	*	*			trans	77.2	102.3	137.8	-73.6	138.4	0	0	0	120
50	F	22	Very low	26.4	Very low	188 Å²	188	145.1 Å²	145.1	83%	0.825	79%	0.787	S	S	*	*			trans	-51.4	157.2	146	-82.4	-91.3	0	0	0	111.8
51	P	27.3	Very low	26.7	Very low	112 Å²	112	141.2 Å²	141.2	73%	0.727	78%	0.776	S	S	*	*				-134.9	134.1	101.4	30.5	-16.2	0	0	0	114.2	I53	P51-I53 PolarHBondContact O-N 3.42Å
52	N	23.1	Very low	27	Very low	152 Å²	152	136.3 Å²	136.3	81%	0.813	76%	0.76	S	S	*	*			trans	-57.5	120.9	155.4	-106.4	-20.4	0	0	0	109.8
53	I	28.7	Very low	27.6	Very low	151 Å²	151	135.8 Å²	135.8	77%	0.774	76%	0.76	S	S	*	*			trans	-136.2	110.1	155.4	-60.4	-178.2	0	0	0	109.4	P51	P51-I53 PolarHBondContact O-N 3.42Å
54	C	23	Very low	28.3	Very low	119 Å²	119	140.4 Å²	140.4	80%	0.804	76%	0.762	S	S	*	*			trans	-4.9	135.4	151.9	-59.6	0	0	0	0	117.9
55	S	25.8	Very low	28.8	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	74%	0.742	S	S	*	*				176.8	111.6	95	-175.9	0	0	0	0	111.4
56	S	24.6	Very low	29.5	Very low	115 Å²	115	129.3 Å²	129.3	80%	0.804	72%	0.721	S	S	*	*			trans	10.9	111.6	139.9	34.2	0	0	0	0	119.1
57	A	25.6	Very low	30.4	Very low	90 Å²	90	127.6 Å²	127.6	74%	0.744	71%	0.711	S	S	*	*			trans	-136.3	93.3	142.5	0	0	0	0	0	108.7	F59	A57-F59 PolarHBondContact O-N 3.29Å
58	K	23.4	Very low	31.3	Very low	188 Å²	188	127.3 Å²	127.3	82%	0.817	70%	0.7	S	S	*	*			trans	-66	111.3	166.7	-101.2	176.4	173.3	174.3	0	108.1
59	F	25.8	Very low	32.3	Very low	185 Å²	185	128.6 Å²	128.6	81%	0.811	70%	0.695	S	S	*	*			trans	-107.1	96	152.4	-92.7	-83	0	0	0	108.5	A57 T61	A57-F59 PolarHBondContact O-N 3.29Å; F59-T61 PolarHBondContact O-N 3.39Å
60	I	27	Very low	33.7	Very low	140 Å²	140	125.5 Å²	125.5	72%	0.718	68%	0.679	S	S	*	*			trans	-68.4	105.5	160.5	-63.7	165.2	0	0	0	105.1
61	T	34.1	Very low	35.2	Very low	101 Å²	101	120.8 Å²	120.8	62%	0.62	66%	0.662	S	S	*	*			trans	-120.2	123.4	160.7	56.8	0	0	0	0	107.6	F59	F59-T61 PolarHBondContact O-N 3.39Å
62	T	35.1	Very low	36.4	Very low	99 Å²	99	122.6 Å²	122.6	61%	0.607	66%	0.658	S	S	*	*			trans	-48.2	138.9	-168.7	45.4	0	0	0	0	113.8	R64 S65	T62-R64 PolarHBondContact O-N 3.08Å; T62-S65 PolarHBondContact O-N 3.25Å; T62-S65 PolarHBondContact O-OG 3.42Å
63	E	39.6	Very low	38.1	Very low	181 Å²	181	120 Å²	120	85%	0.846	64%	0.643	S	S	*	*	H	α-helix	trans	-51.3	-14.3	-179.8	-70.9	-175.9	142.1	0	0	115.5
64	R	38.9	Very low	39.1	Very low	219 Å²	219	117.3 Å²	117.3	83%	0.826	63%	0.63	S	S	*	*	H	α-helix	trans	-80.8	-22.9	173.8	-85.8	-178.9	164.8	160.7	-3.4	115.2	T62	T62-R64 PolarHBondContact O-N 3.08Å
65	S	41.3	Very low	40.6	Very low	43 Å²	43	115.4 Å²	115.4	30%	0.301	61%	0.611	S	S	.	*	H	α-helix	trans	-87.3	-29.2	178.9	55.9	0	0	0	0	113	T62 L68 I69	T62-S65 PolarHBondContact O-N 3.25Å; T62-S65 PolarHBondContact O-OG 3.42Å; S65-L68 PolarHBondContact O-N 3.38Å; S65-I69 WeakPolarHBondContact O-CG1 3.45Å; S65-I69 PolarHBondContact O-N 3.48Å; S65-I69 VanDerWaalsContact O-N 3.08Å
66	G	40.9	Very low	41.5	Very low	34 Å²	34	111.9 Å²	111.9	35%	0.351	59%	0.592	S	S	.	*	H	α-helix	trans	-65.7	-40.4	174.9	0	0	0	0	0	112.6	L68 I69 I70	G66-L68 VanDerWaalsContact C-N 3.35Å; G66-L68 PolarHBondContact O-N 3.26Å; G66-I69 PolarHBondContact O-N 3.41Å; G66-I70 WeakPolarHBondContact O-CB 3.37Å; G66-I70 VanDerWaalsContact O-CG1 3.26Å; G66-I70 WeakPolarHBondContact O-CG1 3.43Å; G66-I70 PolarHBondContact O-N 3.47Å
67	I	49.7	Very low	42.3	Very low	106 Å²	106	110.8 Å²	110.8	54%	0.544	58%	0.577	S	S	.	*	H	α-helix	trans	-66.2	-37.5	176.8	-64.9	171.1	0	0	0	111.1	I70 L71	I67-I70 PolarHBondContact O-N 3.12Å; I67-L71 HydrophobicContact CG2-CD1 3.82Å; I67-L71 WeakPolarHBondContact O-CB 3.3Å; I67-L71 PolarHBondContact O-N 3.34Å
68	L	44.5	Very low	43.2	Very low	104 Å²	104	111.2 Å²	111.2	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-69.5	-37.3	177	-103.1	154.1	0	0	0	112.5	S65 G66 L71 F72	S65-L68 PolarHBondContact O-N 3.38Å; G66-L68 VanDerWaalsContact C-N 3.35Å; G66-L68 PolarHBondContact O-N 3.26Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-F72 HydrophobicContact CD2-CD2 4.22Å; L68-F72 HydrophobicContact CD2-CE2 4.14Å; L68-F72 WeakPolarHBondContact O-CB 3.36Å; L68-F72 WeakPolarHBondContact O-CD2 3.37Å; L68-F72 PolarHBondContact O-N 3.13Å
69	I	51	Low	44	Very low	106 Å²	106	108.1 Å²	108.1	54%	0.544	56%	0.557	S	S	.	*	H	α-helix	trans	-69.7	-40.6	175.5	-66.8	166.5	0	0	0	110.5	S65 G66 F72 I73	S65-I69 WeakPolarHBondContact O-CG1 3.45Å; S65-I69 PolarHBondContact O-N 3.48Å; S65-I69 VanDerWaalsContact O-N 3.08Å; G66-I69 PolarHBondContact O-N 3.41Å; I69-F72 PolarHBondContact O-N 3.42Å; I69-I73 HydrophobicContact CG2-CD1 3.86Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 VanDerWaalsContact O-CG1 3.26Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 3.05Å
70	I	55.9	Low	44.5	Very low	101 Å²	101	104.1 Å²	104.1	52%	0.518	55%	0.551	S	S	.	*	H	α-helix	trans	-65.9	-39.8	174.2	-66.5	166.8	0	0	0	110.7	G66 I67 F72 I73 L74	G66-I70 WeakPolarHBondContact O-CB 3.37Å; G66-I70 VanDerWaalsContact O-CG1 3.26Å; G66-I70 WeakPolarHBondContact O-CG1 3.43Å; G66-I70 PolarHBondContact O-N 3.47Å; I67-I70 PolarHBondContact O-N 3.12Å; I70-F72 VanDerWaalsContact C-N 3.35Å; I70-F72 PolarHBondContact O-N 3.42Å; I70-I73 PolarHBondContact O-N 3Å; I70-L74 HydrophobicContact CG2-CD1 3.69Å; I70-L74 HydrophobicContact CG2-CG 4.24Å; I70-L74 VanDerWaalsContact O-CB 3.29Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.4Å; I70-L74 PolarHBondContact O-N 3.37Å
71	L	54.4	Low	45.1	Very low	89 Å²	89	102 Å²	102	47%	0.466	54%	0.544	S	S	.	.	H	α-helix	trans	-65	-36.1	172.5	-109	127.9	0	0	0	112.1	I67 L68 L75	I67-L71 HydrophobicContact CG2-CD1 3.82Å; I67-L71 WeakPolarHBondContact O-CB 3.3Å; I67-L71 PolarHBondContact O-N 3.34Å; L68-L71 PolarHBondContact O-N 3.48Å; L71-L75 HydrophobicContact CD2-CD1 3.91Å; L71-L75 WeakPolarHBondContact O-CA 3.42Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 WeakPolarHBondContact O-CD1 3.45Å; L71-L75 VanDerWaalsContact O-CG 3.25Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.11Å
72	F	52.7	Low	45.2	Very low	149 Å²	149	101.3 Å²	101.3	65%	0.654	54%	0.54	S	S	*	.	H	α-helix	trans	-72.3	-32.7	175.6	-100.3	-81.5	0	0	0	112.9	L68 I69 I70 G76	L68-F72 HydrophobicContact CD2-CD2 4.22Å; L68-F72 HydrophobicContact CD2-CE2 4.14Å; L68-F72 WeakPolarHBondContact O-CB 3.36Å; L68-F72 WeakPolarHBondContact O-CD2 3.37Å; L68-F72 PolarHBondContact O-N 3.13Å; I69-F72 PolarHBondContact O-N 3.42Å; I70-F72 VanDerWaalsContact C-N 3.35Å; I70-F72 PolarHBondContact O-N 3.42Å; F72-G76 WeakPolarHBondContact O-CA 3.39Å; F72-G76 PolarHBondContact O-N 3.49Å
73	I	58.6	Low	45	Very low	97 Å²	97	100.6 Å²	100.6	50%	0.497	54%	0.544	S	S	.	.	H	α-helix	trans	-71.4	-46.9	173.1	-67.3	166.9	0	0	0	109.5	I69 I70 L75 G76 D77	I69-I73 HydrophobicContact CG2-CD1 3.86Å; I69-I73 HydrophobicContact CG2-CG1 4.48Å; I69-I73 VanDerWaalsContact O-CG1 3.26Å; I69-I73 WeakPolarHBondContact O-CG1 3.41Å; I69-I73 PolarHBondContact O-N 3.05Å; I70-I73 PolarHBondContact O-N 3Å; I73-L75 PolarHBondContact O-N 3.21Å; I73-G76 CarbonylContact O-C 3.59Å; I73-G76 WeakPolarHBondContact O-CA 3.33Å; I73-G76 PolarHBondContact O-N 2.98Å; I73-G76 VanDerWaalsContact O-N 3.13Å; I73-D77 PolarHBondContact O-N 3.17Å
74	L	50.2	Low	44.4	Very low	95 Å²	95	103 Å²	103	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-65	-38.1	176.1	-70.2	169.8	0	0	0	112.5	I70 D77 I78	I70-L74 HydrophobicContact CG2-CD1 3.69Å; I70-L74 HydrophobicContact CG2-CG 4.24Å; I70-L74 VanDerWaalsContact O-CB 3.29Å; I70-L74 WeakPolarHBondContact O-CB 3.33Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.4Å; I70-L74 PolarHBondContact O-N 3.37Å; L74-D77 PolarHBondContact O-N 3.35Å; L74-I78 WeakPolarHBondContact O-CB 3.45Å; L74-I78 WeakPolarHBondContact O-CD1 3.28Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.47Å
75	L	52.9	Low	44	Very low	79 Å²	79	99.1 Å²	99.1	41%	0.414	54%	0.535	S	S	.	.	H	α-helix	trans	-71	-32.2	172.4	-80.4	159	0	0	0	111.7	L71 I73 D77 I78 L79	L71-L75 HydrophobicContact CD2-CD1 3.91Å; L71-L75 WeakPolarHBondContact O-CA 3.42Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 WeakPolarHBondContact O-CD1 3.45Å; L71-L75 VanDerWaalsContact O-CG 3.25Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 3.11Å; I73-L75 PolarHBondContact O-N 3.21Å; L75-D77 VanDerWaalsContact C-N 3.34Å; L75-I78 PolarHBondContact O-N 3.09Å; L75-L79 VanDerWaalsContact O-CB 3.25Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CD1 3.09Å; L75-L79 VanDerWaalsContact O-CG 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 2.96Å
76	G	45.2	Very low	43.4	Very low	29 Å²	29	102.1 Å²	102.1	30%	0.299	55%	0.551	S	S	.	*	H	α-helix	trans	-63.9	-39.7	171.3	0	0	0	0	0	112.1	F72 I73 C80	F72-G76 WeakPolarHBondContact O-CA 3.39Å; F72-G76 PolarHBondContact O-N 3.49Å; I73-G76 CarbonylContact O-C 3.59Å; I73-G76 WeakPolarHBondContact O-CA 3.33Å; I73-G76 PolarHBondContact O-N 2.98Å; I73-G76 VanDerWaalsContact O-N 3.13Å; G76-C80 VanDerWaalsContact O-CB 3.29Å; G76-C80 WeakPolarHBondContact O-CB 3.38Å; G76-C80 PolarHBondContact O-N 2.92Å; G76-C80 PolarHBondContact O-SG 3.48Å
77	D	41.5	Very low	42.7	Very low	92 Å²	92	109.5 Å²	109.5	49%	0.492	58%	0.576	S	S	.	*	H	α-helix	trans	-75.1	-35.2	176.5	-67.2	-27.6	0	0	0	112	I73 L74 L75 C80 T81	I73-D77 PolarHBondContact O-N 3.17Å; L74-D77 PolarHBondContact O-N 3.35Å; L75-D77 VanDerWaalsContact C-N 3.34Å; D77-C80 PolarHBondContact O-N 3.03Å; D77-T81 WeakPolarHBondContact O-CB 3.37Å; D77-T81 VanDerWaalsContact O-CG2 3.23Å; D77-T81 WeakPolarHBondContact O-CG2 3.46Å; D77-T81 PolarHBondContact O-N 2.96Å; D77-T81 PolarHBondContact O-OG1 3.05Å
78	I	44.7	Very low	41.6	Very low	99 Å²	99	112.3 Å²	112.3	51%	0.508	59%	0.592	S	S	.	*	H	α-helix	trans	-68.2	-37.2	172.7	-69.5	164.2	0	0	0	111.1	L74 L75 T81 T82	L74-I78 WeakPolarHBondContact O-CB 3.45Å; L74-I78 WeakPolarHBondContact O-CD1 3.28Å; L74-I78 WeakPolarHBondContact O-CG1 3.4Å; L74-I78 PolarHBondContact O-N 3.47Å; L75-I78 PolarHBondContact O-N 3.09Å; I78-T81 WeakPolarHBondContact CA-OG1 3.37Å; I78-T81 PolarHBondContact O-OG1 2.99Å; I78-T81 VanDerWaalsContact O-OG1 3.05Å; I78-T82 PolarHBondContact O-N 3.32Å; I78-T82 PolarHBondContact O-OG1 3.03Å
79	L	40.5	Very low	40.9	Very low	123 Å²	123	111.7 Å²	111.7	64%	0.644	60%	0.596	S	S	*	*	H	α-helix	trans	-76.6	-30.1	176.8	-73.6	164.4	0	0	0	112.7	L75 T82	L75-L79 VanDerWaalsContact O-CB 3.25Å; L75-L79 WeakPolarHBondContact O-CB 3.31Å; L75-L79 WeakPolarHBondContact O-CD1 3.09Å; L75-L79 VanDerWaalsContact O-CG 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.44Å; L75-L79 PolarHBondContact O-N 2.96Å; L79-T82 PolarHBondContact O-OG1 3.43Å
80	C	36.8	Very low	40	Very low	100 Å²	100	113.6 Å²	113.6	68%	0.676	60%	0.603	S	S	*	*	H	α-helix	trans	-74.3	-29.3	171.7	-82.3	0	0	0	0	113	G76 D77	G76-C80 VanDerWaalsContact O-CB 3.29Å; G76-C80 WeakPolarHBondContact O-CB 3.38Å; G76-C80 PolarHBondContact O-N 2.92Å; G76-C80 PolarHBondContact O-SG 3.48Å; D77-C80 PolarHBondContact O-N 3.03Å
81	T	38.1	Very low	38.6	Very low	95 Å²	95	118.9 Å²	118.9	58%	0.583	62%	0.622	S	S	*	*	H	α-helix	trans	-79	-16.9	177.5	47.5	0	0	0	0	113.6	D77 I78 A83	D77-T81 WeakPolarHBondContact O-CB 3.37Å; D77-T81 VanDerWaalsContact O-CG2 3.23Å; D77-T81 WeakPolarHBondContact O-CG2 3.46Å; D77-T81 PolarHBondContact O-N 2.96Å; D77-T81 PolarHBondContact O-OG1 3.05Å; I78-T81 WeakPolarHBondContact CA-OG1 3.37Å; I78-T81 PolarHBondContact O-OG1 2.99Å; I78-T81 VanDerWaalsContact O-OG1 3.05Å; T81-A83 VanDerWaalsContact C-N 3.32Å; T81-A83 PolarHBondContact O-N 3.07Å
82	T	36	Very low	37.3	Very low	88 Å²	88	122.1 Å²	122.1	54%	0.54	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	2	174	47.6	0	0	0	0	115.2	I78 L79 R84	I78-T82 PolarHBondContact O-N 3.32Å; I78-T82 PolarHBondContact O-OG1 3.03Å; L79-T82 PolarHBondContact O-OG1 3.43Å; T82-R84 VanDerWaalsContact C-N 3.34Å
83	A	30.9	Very low	36	Very low	83 Å²	83	124.4 Å²	124.4	69%	0.686	65%	0.645	S	S	*	*			trans	-97.5	44.9	167.9	0	0	0	0	0	111.8	T81	T81-A83 VanDerWaalsContact C-N 3.32Å; T81-A83 PolarHBondContact O-N 3.07Å
84	R	28.5	Very low	34.7	Very low	232 Å²	232	125 Å²	125	88%	0.875	65%	0.654	S	S	*	*			trans	-99.2	82.7	160.3	-80.6	-174.7	176.3	-179.6	-1.5	108.2	T82	T82-R84 VanDerWaalsContact C-N 3.34Å
85	F	29.3	Very low	33.5	Very low	138 Å²	138	127.6 Å²	127.6	61%	0.605	67%	0.673	S	S	*	*			trans	-106.4	101.3	165.8	-101.2	-87.2	0	0	0	109.5
86	T	28.3	Very low	32.4	Very low	105 Å²	105	128.4 Å²	128.4	64%	0.644	69%	0.691	S	S	*	*			trans	56.9	96.4	135.8	59.6	0	0	0	0	118.1
87	H	28	Very low	31.6	Very low	189 Å²	189	136.2 Å²	136.2	88%	0.875	72%	0.72	S	S	*	*			trans	-114.6	70.8	137.6	-141.4	-85.1	0	0	0	108.1
88	L	26.2	Very low	31.1	Very low	166 Å²	166	137.7 Å²	137.7	87%	0.869	73%	0.727	S	S	*	*			trans	-109.9	78.3	163.1	-114	148.2	0	0	0	104.6
89	S	29	Very low	30.4	Very low	90 Å²	90	140.3 Å²	140.3	63%	0.629	74%	0.735	S	S	*	*			trans	-120.5	83.6	164.8	-166.1	0	0	0	0	104.9
90	E	31.5	Very low	29.8	Very low	147 Å²	147	141.6 Å²	141.6	69%	0.687	74%	0.743	S	S	*	*				92.9	81.3	100	-82.2	-169	159.8	0	0	110.8	F92	E90-F92 HydrophobicContact CG-CD2 4.13Å; E90-F92 PolarHBondContact O-N 3.2Å
91	K	27	Very low	29.5	Very low	212 Å²	212	142.5 Å²	142.5	92%	0.922	75%	0.75	S	S	*	*			trans	-75.2	76.9	145.8	-150.1	-179.1	-165.7	-179.4	0	106.5
92	F	28	Very low	28.9	Very low	156 Å²	156	146.7 Å²	146.7	68%	0.684	76%	0.763	S	S	*	*			trans	-124.2	89.9	165.5	-89.5	-74.5	0	0	0	109.5	E90 T94	E90-F92 HydrophobicContact CG-CD2 4.13Å; E90-F92 PolarHBondContact O-N 3.2Å; F92-T94 PolarHBondContact O-N 3.27Å
93	Q	25.8	Very low	28.6	Very low	197 Å²	197	150 Å²	150	92%	0.921	78%	0.777	S	S	*	*			trans	-79.7	93.2	164.2	-171.5	165.6	13.8	0	0	107.2
94	T	30.1	Very low	28.4	Very low	110 Å²	110	151.1 Å²	151.1	68%	0.675	78%	0.775	S	S	*	*			trans	-143.9	101	165.6	50.5	0	0	0	0	110.7	F92	F92-T94 PolarHBondContact O-N 3.27Å
95	V	25.5	Very low	28.2	Very low	150 Å²	150	149.6 Å²	149.6	91%	0.909	78%	0.775	S	S	*	*			trans	10.3	107.8	138.2	-174.4	0	0	0	0	115.5
96	A	29.3	Very low	28.1	Very low	95 Å²	95	150.9 Å²	150.9	79%	0.785	79%	0.787	S	S	*	*			trans	-168.2	97.6	142.2	0	0	0	0	0	109.4
97	E	28.4	Very low	28	Very low	193 Å²	193	153.5 Å²	153.5	90%	0.902	80%	0.797	S	S	*	*			trans	-60.3	127.2	156.1	-65.2	171	138.5	0	0	108.8
98	D	31.5	Very low	27.9	Very low	123 Å²	123	150.4 Å²	150.4	66%	0.658	80%	0.797	S	S	*	*				175.3	127.3	113.6	-124.4	-5.6	0	0	0	112.4
99	K	30.6	Very low	28	Very low	155 Å²	155	148.4 Å²	148.4	67%	0.674	79%	0.794	S	S	*	*			trans	48.7	126.2	141.5	-68.5	173.8	-167	104.5	0	122.8
100	N	27.8	Very low	27.9	Very low	150 Å²	150	149 Å²	149	80%	0.802	80%	0.804	S	S	*	*			trans	65.8	105.6	140.2	-64.4	-10.4	0	0	0	118.8
101	S	30.3	Very low	27.8	Very low	119 Å²	119	148.1 Å²	148.1	83%	0.832	82%	0.815	S	S	*	*			trans	-155.9	114.3	142.4	-6.3	0	0	0	0	112.4
102	E	25.9	Very low	27.8	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	81%	0.807	S	S	*	*			trans	-56.3	129.3	161.5	-170.4	176.1	-166.5	0	0	110.5
103	L	28.8	Very low	27.9	Very low	157 Å²	157	141.2 Å²	141.2	82%	0.822	81%	0.812	S	S	*	*			trans	-116.4	103.2	176.7	-108.1	153.8	0	0	0	110.8
104	V	26.4	Very low	28	Very low	108 Å²	108	137.9 Å²	137.9	66%	0.655	81%	0.805	S	S	*	*			trans	-78.2	132.8	172.2	173	0	0	0	0	109.6
105	F	25.6	Very low	27.9	Very low	200 Å²	200	142.9 Å²	142.9	88%	0.877	82%	0.818	S	S	*	*			trans	-89.5	127.4	172.7	-75.8	-87.8	0	0	0	111.5
106	L	26.7	Very low	28	Very low	164 Å²	164	145.5 Å²	145.5	86%	0.859	82%	0.817	S	S	*	*			trans	-120.5	122.3	171.8	-90	159.3	0	0	0	110.3
107	N	25.1	Very low	28.1	Very low	160 Å²	160	147 Å²	147	86%	0.856	82%	0.818	S	S	*	*			trans	-89.6	147.3	170.4	-79.7	-34.9	0	0	0	111.1
108	S	26.2	Very low	28.1	Very low	124 Å²	124	142.3 Å²	142.3	87%	0.867	81%	0.813	S	S	*	*			trans	-158.9	156.5	156.2	-96	0	0	0	0	114.9
109	P	28.6	Very low	28	Very low	125 Å²	125	147.7 Å²	147.7	81%	0.812	82%	0.824	S	S	*	*			trans	-113.7	177.1	-148	39.3	-26.7	0	0	0	116.2
110	A	26.9	Very low	27.8	Very low	102 Å²	102	149.4 Å²	149.4	84%	0.843	83%	0.832	S	S	*	*			trans	-74.3	157.8	-172.5	0	0	0	0	0	117.1
111	S	29.5	Very low	27.9	Very low	129 Å²	129	149 Å²	149	90%	0.902	84%	0.835	S	S	*	*			trans	-152.5	159.5	155.3	75.5	0	0	0	0	113
112	S	26.9	Very low	27.7	Very low	110 Å²	110	154.3 Å²	154.3	77%	0.769	84%	0.837	S	S	*	*			trans	-116.6	153.7	-156.4	54.5	0	0	0	0	115.2
113	S	30.7	Very low	27.9	Very low	113 Å²	113	156.5 Å²	156.5	79%	0.79	84%	0.838	S	S	*	*			trans	179.2	116.4	144.1	44.5	0	0	0	0	109.5
114	V	26.3	Very low	28.1	Very low	127 Å²	127	154.5 Å²	154.5	77%	0.77	83%	0.832	S	S	*	*				60	106.1	77.3	-174.7	0	0	0	0	115.1
115	F	29.6	Very low	28.4	Very low	214 Å²	214	154.1 Å²	154.1	94%	0.939	83%	0.834	S	S	*	*			trans	-169.3	143.4	131.4	-101.8	-73.6	0	0	0	112
116	K	27.1	Very low	28.6	Very low	205 Å²	205	154.3 Å²	154.3	89%	0.891	83%	0.834	S	S	*	*			trans	-95.9	164.6	-165.3	-93.3	175	176.1	171.6	0	115.1
117	P	30.2	Very low	28.9	Very low	126 Å²	126	152.1 Å²	152.1	82%	0.818	83%	0.83	S	S	*	*			trans	-110.4	178.9	-167.6	41.5	-31.5	0	0	0	115.6
118	A	29.1	Very low	29	Very low	96 Å²	96	150.6 Å²	150.6	79%	0.793	83%	0.832	S	S	*	*			trans	-136.4	130.6	176	0	0	0	0	0	115.9
119	R	28.7	Very low	29.2	Very low	235 Å²	235	147.6 Å²	147.6	89%	0.887	82%	0.82	S	S	*	*			trans	42.3	119.8	151.7	-67.7	179.3	-169.9	167.3	4.3	121.3
120	F	26.6	Very low	29.3	Very low	191 Å²	191	152.1 Å²	152.1	84%	0.838	83%	0.827	S	S	*	*				83.7	113.4	58.8	-95.8	-73.9	0	0	0	116.9
121	T	30.8	Very low	29.8	Very low	141 Å²	141	153.6 Å²	153.6	87%	0.865	83%	0.825	S	S	*	*			trans	179.2	108.7	139.1	40.6	0	0	0	0	107.3
122	R	26.5	Very low	30.3	Very low	232 Å²	232	152 Å²	152	88%	0.875	81%	0.807	S	S	*	*				71.2	102.8	54.3	-152.7	-175.5	-158.2	-175.3	6.3	115.5
123	R	30.2	Very low	30.8	Very low	228 Å²	228	152 Å²	152	86%	0.86	80%	0.803	S	S	*	*			trans	-172.6	106.6	137.5	-104.1	170	-172.7	-175.2	2.4	111.3
124	T	32.6	Very low	31.1	Very low	115 Å²	115	153.6 Å²	153.6	71%	0.706	79%	0.791	S	S	*	*				75.3	95.6	104.7	56.1	0	0	0	0	113.4
125	S	32.1	Very low	31.7	Very low	100 Å²	100	154.4 Å²	154.4	70%	0.699	78%	0.784	S	S	*	*				80.3	112.4	76.5	69.8	0	0	0	0	114.7
126	K	31.2	Very low	32.3	Very low	203 Å²	203	148.3 Å²	148.3	88%	0.883	77%	0.765	S	S	*	*				-177.3	154.5	96.4	-104.6	-175.6	175.6	177.7	0	111.6
127	P	31.7	Very low	33.1	Very low	118 Å²	118	143.4 Å²	143.4	77%	0.766	75%	0.748	S	S	*	*			trans	-110	164.5	-157.3	41.2	-31.9	0	0	0	113.2
128	S	28.4	Very low	33.5	Very low	129 Å²	129	140.6 Å²	140.6	90%	0.902	73%	0.725	S	S	*	*			trans	173.4	123.2	144	174.3	0	0	0	0	109.6
129	G	29.8	Very low	34.1	Very low	60 Å²	60	142.8 Å²	142.8	62%	0.619	72%	0.717	S	S	*	*			trans	158	101.8	170.6	0	0	0	0	0	110.7	V131	G129-V131 PolarHBondContact O-N 2.96Å
130	K	30.5	Very low	34.8	Very low	221 Å²	221	135 Å²	135	96%	0.961	70%	0.695	S	S	*	*			trans	-44.8	116.6	-179.5	-68.8	168.3	173.4	176.7	0	111.5
131	V	37.9	Very low	35.3	Very low	132 Å²	132	134 Å²	134	80%	0.8	69%	0.687	S	S	*	*			trans	-108.7	127.3	170.2	177.2	0	0	0	0	108	G129 T133	G129-V131 PolarHBondContact O-N 2.96Å; V131-T133 PolarHBondContact O-N 3.45Å; V131-T133 VanDerWaalsContact O-N 3.11Å
132	D	39.5	Very low	36	Very low	95 Å²	95	130.5 Å²	130.5	51%	0.508	66%	0.663	S	S	.	*			trans	-47.8	104.3	-175.6	-68.7	-39	0	0	0	113.6	R134 K135	D132-R134 PolarHBondContact O-N 2.85Å; D132-K135 HydrophobicContact CB-CB 4.26Å; D132-K135 HydrophobicContact CB-CD 4.29Å; D132-K135 HydrophobicContact CB-CG 4.29Å; D132-K135 PolarHBondContact O-N 3.5Å; D132-K135 IonicContact OD2-NZ 3.98Å
133	T	36.7	Very low	36.9	Very low	112 Å²	112	122.3 Å²	122.3	69%	0.687	64%	0.637	S	S	*	*	H	α-helix	trans	-59	-34.2	168.2	30	0	0	0	0	111.8	V131 K135 T136 D137	V131-T133 PolarHBondContact O-N 3.45Å; V131-T133 VanDerWaalsContact O-N 3.11Å; T133-K135 PolarHBondContact O-N 3.42Å; T133-T136 PolarHBondContact O-N 3.48Å; T133-T136 VanDerWaalsContact O-N 3.08Å; T133-D137 PolarHBondContact O-N 2.97Å
134	R	38.7	Very low	37.5	Very low	146 Å²	146	116.9 Å²	116.9	55%	0.551	62%	0.619	S	S	*	*	H	α-helix	trans	-57.8	-38	177.8	-75.9	-172.2	176.3	177.1	-4.4	114.9	D132 T136 M138 N509	D132-R134 PolarHBondContact O-N 2.85Å; R134-T136 PolarHBondContact O-N 2.96Å; R134-M138 PolarHBondContact O-N 3.28Å; R134-N509 PolarHBondContact NH2-ND2 2.91Å
135	K	38.8	Very low	37.8	Very low	143 Å²	143	113.2 Å²	113.2	62%	0.622	60%	0.6	S	S	*	*	H	α-helix	trans	-69.4	-21.7	178.9	-83.6	177.7	178.1	160.8	0	113.1	D132 T133 K139	D132-K135 HydrophobicContact CB-CB 4.26Å; D132-K135 HydrophobicContact CB-CD 4.29Å; D132-K135 HydrophobicContact CB-CG 4.29Å; D132-K135 PolarHBondContact O-N 3.5Å; D132-K135 IonicContact OD2-NZ 3.98Å; T133-K135 PolarHBondContact O-N 3.42Å; K135-K139 VanDerWaalsContact O-CB 3.29Å; K135-K139 WeakPolarHBondContact O-CB 3.12Å
136	T	40.6	Very low	38.1	Very low	86 Å²	86	116.4 Å²	116.4	53%	0.528	60%	0.597	S	S	.	*	H	α-helix	trans	-86.4	-38.3	-174.1	-40.1	0	0	0	0	111.2	T133 R134 T140	T133-T136 PolarHBondContact O-N 3.48Å; T133-T136 VanDerWaalsContact O-N 3.08Å; R134-T136 PolarHBondContact O-N 2.96Å; T136-T140 PolarHBondContact O-N 2.92Å; T136-T140 VanDerWaalsContact O-N 3.15Å; T136-T140 PolarHBondContact O-OG1 3.41Å
137	D	43.9	Very low	38.3	Very low	103 Å²	103	113.2 Å²	113.2	55%	0.551	58%	0.58	S	S	*	*	H	α-helix	trans	-75.1	-40.6	-179.8	-68.3	-28.6	0	0	0	112.3	T133 K139 T140 Y141	T133-D137 PolarHBondContact O-N 2.97Å; D137-K139 PolarHBondContact O-N 2.93Å; D137-T140 WeakPolarHBondContact O-CA 2.99Å; D137-T140 VanDerWaalsContact O-CB 3.29Å; D137-T140 WeakPolarHBondContact O-CB 3.32Å; D137-T140 PolarHBondContact O-N 3.47Å; D137-Y141 PolarHBondContact O-N 2.89Å
138	M	39	Very low	38.6	Very low	67 Å²	67	112.7 Å²	112.7	33%	0.33	57%	0.567	S	S	.	*	H	α-helix	trans	-64.2	-40.8	175.4	-166.9	170.6	82.4	0	0	112.5	R134 T140 Y141 L142 N463	R134-M138 PolarHBondContact O-N 3.28Å; M138-T140 PolarHBondContact O-N 3Å; M138-Y141 PolarHBondContact O-N 2.86Å; M138-L142 HydrophobicContact CG-CD1 4.48Å; M138-L142 PolarHBondContact O-N 3.44Å; M138-N463 HydrophobicContact SD-CB 4.2Å
139	K	42.9	Very low	39	Very low	141 Å²	141	110.3 Å²	110.3	61%	0.613	54%	0.543	S	S	*	.	H	α-helix	trans	-63.7	-30.7	172.8	-164.3	171.4	-172.1	173.4	0	111.5	K135 D137 N143	K135-K139 VanDerWaalsContact O-CB 3.29Å; K135-K139 WeakPolarHBondContact O-CB 3.12Å; D137-K139 PolarHBondContact O-N 2.93Å; K139-N143 WeakPolarHBondContact O-CB 3.4Å; K139-N143 PolarHBondContact O-N 3.28Å; K139-N143 PolarHBondContact O-ND2 3.31Å; K139-N143 VanDerWaalsContact O-ND2 3.1Å
140	T	42.2	Very low	39.3	Very low	71 Å²	71	112.1 Å²	112.1	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-71.1	-40.2	176.3	-54.6	0	0	0	0	111.5	T136 D137 M138 N143 K144	T136-T140 PolarHBondContact O-N 2.92Å; T136-T140 VanDerWaalsContact O-N 3.15Å; T136-T140 PolarHBondContact O-OG1 3.41Å; D137-T140 WeakPolarHBondContact O-CA 2.99Å; D137-T140 VanDerWaalsContact O-CB 3.29Å; D137-T140 WeakPolarHBondContact O-CB 3.32Å; D137-T140 PolarHBondContact O-N 3.47Å; M138-T140 PolarHBondContact O-N 3Å; T140-N143 PolarHBondContact O-N 3.26Å; T140-K144 WeakPolarHBondContact O-CB 3.32Å; T140-K144 PolarHBondContact O-N 3.29Å
141	Y	37.8	Very low	39.5	Very low	171 Å²	171	109.3 Å²	109.3	67%	0.671	53%	0.534	S	S	*	.	H	α-helix	trans	-66.8	-47.7	174.5	-117.5	-92.8	0	0	0	112.4	D137 M138 N143 K144 A145	D137-Y141 PolarHBondContact O-N 2.89Å; M138-Y141 PolarHBondContact O-N 2.86Å; Y141-N143 VanDerWaalsContact C-N 3.31Å; Y141-N143 PolarHBondContact O-N 2.91Å; Y141-K144 CarbonylContact O-C 3.58Å; Y141-K144 WeakPolarHBondContact O-CA 3.23Å; Y141-K144 WeakPolarHBondContact O-CB 3.41Å; Y141-K144 PolarHBondContact O-N 3.4Å; Y141-A145 PolarHBondContact O-N 3.49Å
142	L	45.2	Very low	39.1	Very low	68 Å²	68	110.9 Å²	110.9	36%	0.356	54%	0.538	S	S	.	.	H	α-helix	trans	-60.8	-39.3	173.8	-87.4	160.6	0	0	0	112	M138 K144 R146	M138-L142 HydrophobicContact CG-CD1 4.48Å; M138-L142 PolarHBondContact O-N 3.44Å; L142-K144 VanDerWaalsContact C-N 3.26Å; L142-K144 PolarHBondContact O-N 2.92Å; L142-R146 VanDerWaalsContact O-CB 3.27Å; L142-R146 WeakPolarHBondContact O-CB 3.43Å; L142-R146 PolarHBondContact O-N 3.22Å
143	N	44.5	Very low	39	Very low	60 Å²	60	109.1 Å²	109.1	32%	0.321	54%	0.543	S	S	.	.	H	α-helix	trans	-69.8	-23	173.1	-74.9	-21.9	0	0	0	112.5	K139 T140 Y141 R147	K139-N143 WeakPolarHBondContact O-CB 3.4Å; K139-N143 PolarHBondContact O-N 3.28Å; K139-N143 PolarHBondContact O-ND2 3.31Å; K139-N143 VanDerWaalsContact O-ND2 3.1Å; T140-N143 PolarHBondContact O-N 3.26Å; Y141-N143 VanDerWaalsContact C-N 3.31Å; Y141-N143 PolarHBondContact O-N 2.91Å; N143-R147 WeakPolarHBondContact O-CB 3.5Å; N143-R147 WeakPolarHBondContact O-CG 3.31Å; N143-R147 PolarHBondContact O-N 3.27Å; N143-R147 PolarHBondContact O-NE 3.28Å
144	K	44.2	Very low	39.3	Very low	113 Å²	113	112.5 Å²	112.5	49%	0.491	55%	0.551	S	S	.	*	H	α-helix	trans	-79.4	-45.7	175.3	-163.9	176.8	-179.5	-173.5	0	110.3	T140 Y141 L142 R147 H148	T140-K144 WeakPolarHBondContact O-CB 3.32Å; T140-K144 PolarHBondContact O-N 3.29Å; Y141-K144 CarbonylContact O-C 3.58Å; Y141-K144 WeakPolarHBondContact O-CA 3.23Å; Y141-K144 WeakPolarHBondContact O-CB 3.41Å; Y141-K144 PolarHBondContact O-N 3.4Å; L142-K144 VanDerWaalsContact C-N 3.26Å; L142-K144 PolarHBondContact O-N 2.92Å; K144-R147 CarbonylContact O-C 3.58Å; K144-R147 PolarHBondContact O-N 3.3Å; K144-H148 PolarHBondContact O-CD2 3.44Å; K144-H148 PolarHBondContact O-N 3.02Å
145	A	37.9	Very low	40.2	Very low	38 Å²	38	108.1 Å²	108.1	31%	0.314	54%	0.537	S	S	.	.	H	α-helix	trans	-60.6	-45.9	171.3	0	0	0	0	0	111.7	Y141 R147 H148 L149	Y141-A145 PolarHBondContact O-N 3.49Å; A145-R147 PolarHBondContact O-N 2.92Å; A145-H148 CarbonylContact O-C 3.56Å; A145-H148 PolarHBondContact O-N 2.93Å; A145-H148 VanDerWaalsContact O-N 3.15Å; A145-L149 PolarHBondContact O-N 2.91Å
146	R	39.5	Very low	41.7	Very low	167 Å²	167	107 Å²	107	63%	0.63	53%	0.534	S	S	*	.	H	α-helix	trans	-62.1	-38.7	171.3	-85.2	-172.6	-167.7	160	4.1	112.7	L142 H148 L149 S150	L142-R146 VanDerWaalsContact O-CB 3.27Å; L142-R146 WeakPolarHBondContact O-CB 3.43Å; L142-R146 PolarHBondContact O-N 3.22Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 2.97Å; R146-L149 CarbonylContact O-C 3.45Å; R146-L149 PolarHBondContact O-N 2.93Å; R146-S150 WeakPolarHBondContact O-CA 3.46Å; R146-S150 WeakPolarHBondContact O-CB 3.22Å; R146-S150 PolarHBondContact O-N 2.94Å
147	R	35.2	Very low	43.7	Very low	137 Å²	137	106.1 Å²	106.1	52%	0.517	53%	0.526	S	S	.	.	H	α-helix	trans	-65.7	-33.1	174.4	-83.9	179.3	-82.6	-179.4	-5.6	111.8	N143 K144 A145 S150 F151	N143-R147 WeakPolarHBondContact O-CB 3.5Å; N143-R147 WeakPolarHBondContact O-CG 3.31Å; N143-R147 PolarHBondContact O-N 3.27Å; N143-R147 PolarHBondContact O-NE 3.28Å; K144-R147 CarbonylContact O-C 3.58Å; K144-R147 PolarHBondContact O-N 3.3Å; A145-R147 PolarHBondContact O-N 2.92Å; R147-S150 PolarHBondContact O-N 3.34Å; R147-F151 WeakPolarHBondContact O-CB 3.5Å; R147-F151 PolarHBondContact O-N 3.31Å
148	H	38.8	Very low	46	Very low	107 Å²	107	104.8 Å²	104.8	50%	0.495	52%	0.515	S	S	.	.	H	α-helix	trans	-72.4	-29.4	171.2	-71.3	-61.7	0	0	0	113.1	K144 A145 R146	K144-H148 PolarHBondContact O-CD2 3.44Å; K144-H148 PolarHBondContact O-N 3.02Å; A145-H148 CarbonylContact O-C 3.56Å; A145-H148 PolarHBondContact O-N 2.93Å; A145-H148 VanDerWaalsContact O-N 3.15Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 2.97Å
149	L	36.8	Very low	48.6	Very low	79 Å²	79	106.8 Å²	106.8	41%	0.414	52%	0.522	S	S	.	.	H	α-helix	trans	-79.9	-15	170.3	-80.2	148.1	0	0	0	113.5	A145 R146	A145-L149 PolarHBondContact O-N 2.91Å; R146-L149 CarbonylContact O-C 3.45Å; R146-L149 PolarHBondContact O-N 2.93Å
150	S	35.5	Very low	51	Low	97 Å²	97	100.4 Å²	100.4	68%	0.678	50%	0.495	S	S	*	.	H	α-helix	trans	-113.3	-6.8	-173.3	177.4	0	0	0	0	113.4	R146 R147	R146-S150 WeakPolarHBondContact O-CA 3.46Å; R146-S150 WeakPolarHBondContact O-CB 3.22Å; R146-S150 PolarHBondContact O-N 2.94Å; R147-S150 PolarHBondContact O-N 3.34Å
151	F	34.4	Very low	53.4	Low	162 Å²	162	99.6 Å²	99.6	71%	0.711	49%	0.492	S	S	*	.	S	Bend	trans	-107	113.6	172.4	-99.4	-102.4	0	0	0	108.7	R147	R147-F151 WeakPolarHBondContact O-CB 3.5Å; R147-F151 PolarHBondContact O-N 3.31Å
152	D	29.6	Very low	56	Low	165 Å²	165	95.9 Å²	95.9	88%	0.882	49%	0.491	S	S	*	.	S	Bend	trans	70.8	89.4	177.6	-87.7	-16.2	0	0	0	117.7
153	G	36.5	Very low	58.3	Low	59 Å²	59	100.1 Å²	100.1	61%	0.608	51%	0.509	S	S	*	.	S	Bend	trans	82.3	118.5	167.8	0	0	0	0	0	112.4	M155	G153-M155 PolarHBondContact O-N 3.09Å
154	Q	42.7	Very low	60.7	Low	183 Å²	183	98.1 Å²	98.1	86%	0.855	50%	0.498	S	S	*	.			trans	-47.9	115.4	161.8	-78.9	177.5	-22.2	0	0	107	E156	Q154-E156 PolarHBondContact O-N 3.35Å
155	M	58.5	Low	63.2	Low	53 Å²	53	93 Å²	93	26%	0.261	48%	0.476	S	S	.	.			trans	-68.7	82.3	173	-149	178	80.3	0	0	105.8	G153 I157 Q184 V481	G153-M155 PolarHBondContact O-N 3.09Å; M155-I157 PolarHBondContact O-N 3.1Å; M155-I157 VanDerWaalsContact O-N 3.15Å; M155-Q184 WeakPolarHBondContact CE-O 3.35Å; M155-V481 HydrophobicContact CE-CG2 3.95Å; M155-V481 HydrophobicContact SD-CG2 4.01Å
156	E	69.5	Low	66	Low	120 Å²	120	96 Å²	96	56%	0.561	48%	0.483	S	S	*	.			trans	-70.2	112.7	-170.3	-169.3	-175.3	-163.1	0	0	107.6	Q154 K158	Q154-E156 PolarHBondContact O-N 3.35Å; E156-K158 PolarHBondContact O-N 3Å; E156-K158 WeakPolarHBondContact OE2-CE 3.4Å
157	I	84.1	Confident	68.6	Low	67 Å²	67	91.1 Å²	91.1	34%	0.344	47%	0.467	S	S	.	.			trans	-71	123.7	172.3	-63.6	-63.1	0	0	0	107.5	M155 H185 R187	M155-I157 PolarHBondContact O-N 3.1Å; M155-I157 VanDerWaalsContact O-N 3.15Å; I157-H185 CarbonylContact C-O 3.58Å; I157-H185 WeakPolarHBondContact CA-O 3.29Å; I157-R187 HydrophobicContact CD1-CG 4.4Å; I157-R187 HydrophobicContact CG2-CB 4.05Å; I157-R187 HydrophobicContact CG2-CG 3.44Å; I157-R187 VanDerWaalsContact CG2-CG 3.44Å
158	K	91.1	Very high	71.5	Confident	76 Å²	76	84.6 Å²	84.6	33%	0.33	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.7	178	-63.3	-177.1	-178.5	-178.8	0	110	E156 L164 Y181 H185 V186 R187	E156-K158 PolarHBondContact O-N 3Å; E156-K158 WeakPolarHBondContact OE2-CE 3.4Å; K158-L164 HydrophobicContact CB-CD2 3.84Å; K158-L164 HydrophobicContact CD-CD1 4.33Å; K158-Y181 PolarHBondContact NZ-OH 2.88Å; K158-H185 PolarHBondContact N-O 3.06Å; K158-V186 WeakPolarHBondContact O-CA 3.44Å; K158-R187 PolarHBondContact O-N 2.79Å
159	F	93.1	Very high	74.3	Confident	109 Å²	109	79.5 Å²	79.5	48%	0.478	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.4	173.5	-58.2	-59.8	0	0	0	110.6	S161 L164 R187 D189 F192	F159-S161 PolarHBondContact O-N 3.45Å; F159-S161 VanDerWaalsContact O-N 3.12Å; F159-L164 WeakPolarHBondContact O-CD2 3.34Å; F159-R187 WeakPolarHBondContact CA-O 3.4Å; F159-R187 HydrophobicContact CD1-CB 4.4Å; F159-D189 HydrophobicContact CB-CB 4.34Å; F159-D189 HydrophobicContact CD1-CB 4.37Å; F159-D189 HydrophobicContact CG-CB 4.38Å; F159-F192 HydrophobicContact CE1-CB 3.94Å
160	L	93.6	Very high	77.1	Confident	7 Å²	7	80.7 Å²	80.7	4%	0.037	42%	0.422	C	S	.	.			trans	-64.7	111.9	-179.6	-170.4	73.7	0	0	0	111.2	V165 V186 R187 L196 K254	L160-V165 HydrophobicContact CD1-CG2 3.66Å; L160-V165 HydrophobicContact CG-CG2 4.1Å; L160-V186 HydrophobicContact CB-CG1 4.28Å; L160-V186 HydrophobicContact CD1-CG1 4.02Å; L160-R187 PolarHBondContact N-O 2.96Å; L160-L196 HydrophobicContact CB-CD2 4.28Å; L160-L196 HydrophobicContact CD1-CD2 3.82Å; L160-L196 HydrophobicContact CD2-CD2 3.75Å; L160-L196 HydrophobicContact CG-CD2 4.17Å; L160-K254 HydrophobicContact CD2-CB 3.89Å; L160-K254 HydrophobicContact CD2-CD 4.29Å
161	S	93.4	Very high	79.9	Confident	53 Å²	53	84.4 Å²	84.4	37%	0.371	42%	0.421	S	S	.	.			trans	-119.3	163.6	172.2	71.2	0	0	0	0	110.7	F159 E163 L164 V165	F159-S161 PolarHBondContact O-N 3.45Å; F159-S161 VanDerWaalsContact O-N 3.12Å; S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 3.49Å; S161-L164 PolarHBondContact O-N 3.04Å; S161-L164 VanDerWaalsContact O-N 3.1Å; S161-L164 WeakPolarHBondContact OG-CB 3.5Å; S161-L164 PolarHBondContact OG-N 3.08Å; S161-L164 VanDerWaalsContact OG-N 3.17Å; S161-V165 WeakPolarHBondContact O-CG2 3.39Å; S161-V165 PolarHBondContact O-N 2.97Å
162	S	92.5	Very high	82.7	Confident	93 Å²	93	77.2 Å²	77.2	65%	0.65	39%	0.39	S	S	*	.	H	α-helix	trans	-57.5	-39.7	176.3	-55.1	0	0	0	0	112.5	V165 E166	S162-V165 WeakPolarHBondContact O-CB 3.34Å; S162-V165 PolarHBondContact O-N 2.89Å; S162-E166 PolarHBondContact O-N 2.89Å
163	E	93.5	Very high	85.5	Confident	158 Å²	158	73.2 Å²	73.2	74%	0.738	37%	0.373	S	S	*	.	H	α-helix	trans	-64.6	-39.5	175.8	-63.1	173.8	-176	0	0	111.8	S161 E166 F167	S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 3.49Å; E163-E166 PolarHBondContact O-N 3.38Å; E163-F167 PolarHBondContact O-N 2.85Å
164	L	95.2	Very high	88	Confident	17 Å²	17	72.3 Å²	72.3	9%	0.089	35%	0.354	C	S	.	.	H	α-helix	trans	-69.8	-35.7	177.3	-171.9	62.4	0	0	0	111.5	K158 F159 S161 E166 F167 I168 Y181 V186	K158-L164 HydrophobicContact CB-CD2 3.84Å; K158-L164 HydrophobicContact CD-CD1 4.33Å; F159-L164 WeakPolarHBondContact O-CD2 3.34Å; S161-L164 PolarHBondContact O-N 3.04Å; S161-L164 VanDerWaalsContact O-N 3.1Å; S161-L164 WeakPolarHBondContact OG-CB 3.5Å; S161-L164 PolarHBondContact OG-N 3.08Å; S161-L164 VanDerWaalsContact OG-N 3.17Å; L164-E166 VanDerWaalsContact C-N 3.35Å; L164-F167 HydrophobicContact CD1-CD1 4.21Å; L164-F167 PolarHBondContact O-N 3.35Å; L164-I168 HydrophobicContact CD1-CD1 4.41Å; L164-I168 HydrophobicContact CD2-CD1 4.48Å; L164-I168 HydrophobicContact CG-CD1 3.89Å; L164-I168 HydrophobicContact CG-CG1 4.43Å; L164-I168 WeakPolarHBondContact O-CB 3.27Å; L164-I168 WeakPolarHBondContact O-CD1 3.47Å; L164-I168 WeakPolarHBondContact O-CG1 3.27Å; L164-I168 PolarHBondContact O-N 3.35Å; L164-Y181 HydrophobicContact CD1-CE1 4.15Å; L164-V186 HydrophobicContact CD2-CG1 4.11Å; L164-V186 HydrophobicContact CD2-CG2 4.23Å
165	V	96.7	Very high	90.3	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-46.6	172.4	171.3	0	0	0	0	110.3	L160 S161 S162 F167 I168 C169 E247 L250 L251	L160-V165 HydrophobicContact CD1-CG2 3.66Å; L160-V165 HydrophobicContact CG-CG2 4.1Å; S161-V165 WeakPolarHBondContact O-CG2 3.39Å; S161-V165 PolarHBondContact O-N 2.97Å; S162-V165 WeakPolarHBondContact O-CB 3.34Å; S162-V165 PolarHBondContact O-N 2.89Å; V165-F167 PolarHBondContact O-N 2.96Å; V165-I168 PolarHBondContact O-N 2.84Å; V165-C169 WeakPolarHBondContact O-CB 3.4Å; V165-C169 PolarHBondContact O-N 3.31Å; V165-C169 PolarHBondContact O-SG 2.94Å; V165-E247 HydrophobicContact CG1-CB 4.33Å; V165-E247 HydrophobicContact CG1-CG 4.18Å; V165-L250 HydrophobicContact CG1-CB 4.34Å; V165-L250 HydrophobicContact CG1-CD1 4.32Å; V165-L250 HydrophobicContact CG2-CB 3.94Å; V165-L250 HydrophobicContact CG2-CD1 4.26Å; V165-L251 HydrophobicContact CG1-CG 4.4Å; V165-L251 HydrophobicContact CG2-CD2 4.25Å
166	E	95.1	Very high	91.8	Very high	101 Å²	101	62.9 Å²	62.9	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-47.1	176.6	-170	-169.3	150.3	0	0	111.1	S162 E163 L164 I168 C169 H170	S162-E166 PolarHBondContact O-N 2.89Å; E163-E166 PolarHBondContact O-N 3.38Å; L164-E166 VanDerWaalsContact C-N 3.35Å; E166-I168 PolarHBondContact O-N 3.34Å; E166-C169 PolarHBondContact O-N 2.93Å; E166-H170 VanDerWaalsContact O-CB 3.32Å; E166-H170 WeakPolarHBondContact O-CB 3.37Å; E166-H170 PolarHBondContact O-CD2 3.23Å; E166-H170 PolarHBondContact O-N 2.6Å
167	F	95.3	Very high	92.9	Very high	66 Å²	66	57.2 Å²	57.2	29%	0.289	29%	0.287	S	S	.	.	I	π-helix	trans	-56.3	-49.8	175.4	173.8	-91.6	0	0	0	112.2	E163 L164 V165 R171 L172 Y181	E163-F167 PolarHBondContact O-N 2.85Å; L164-F167 HydrophobicContact CD1-CD1 4.21Å; L164-F167 PolarHBondContact O-N 3.35Å; V165-F167 PolarHBondContact O-N 2.96Å; F167-R171 HydrophobicContact CD2-CB 4.2Å; F167-R171 HydrophobicContact CD2-CG 4.37Å; F167-R171 HydrophobicContact CE2-CB 4.38Å; F167-R171 WeakPolarHBondContact O-CA 3.38Å; F167-R171 VanDerWaalsContact O-CB 3.24Å; F167-R171 WeakPolarHBondContact O-CB 3.42Å; F167-R171 PolarHBondContact O-N 2.97Å; F167-L172 HydrophobicContact CE1-CD2 4.08Å; F167-L172 HydrophobicContact CE1-CG 4.25Å; F167-L172 HydrophobicContact CZ-CD2 4.24Å; F167-L172 PolarHBondContact O-N 3.38Å; F167-Y181 HydrophobicContact CE1-CE1 4.29Å; F167-Y181 AromaticContact CE1-CE2 4Å; F167-Y181 HydrophobicContact CE1-CE2 4Å; F167-Y181 AromaticContact CE1-CZ 3.83Å
168	I	96.3	Very high	93.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	I	π-helix	trans	-64.2	-49.2	-177.5	-68.5	164.5	0	0	0	110.5	L164 V165 E166 L172 R178 Y181 L182 V186 L250	L164-I168 HydrophobicContact CD1-CD1 4.41Å; L164-I168 HydrophobicContact CD2-CD1 4.48Å; L164-I168 HydrophobicContact CG-CD1 3.89Å; L164-I168 HydrophobicContact CG-CG1 4.43Å; L164-I168 WeakPolarHBondContact O-CB 3.27Å; L164-I168 WeakPolarHBondContact O-CD1 3.47Å; L164-I168 WeakPolarHBondContact O-CG1 3.27Å; L164-I168 PolarHBondContact O-N 3.35Å; V165-I168 PolarHBondContact O-N 2.84Å; E166-I168 PolarHBondContact O-N 3.34Å; I168-L172 HydrophobicContact CB-CD1 4.39Å; I168-L172 HydrophobicContact CG1-CD1 4.37Å; I168-L172 HydrophobicContact CG2-CD1 4.22Å; I168-L172 WeakPolarHBondContact O-CB 3.27Å; I168-R178 HydrophobicContact CG2-CB 4.16Å; I168-R178 HydrophobicContact CG2-CG 4.09Å; I168-R178 WeakPolarHBondContact O-CG 2.98Å; I168-R178 PolarHBondContact O-NE 2.87Å; I168-Y181 HydrophobicContact CD1-CD1 4.16Å; I168-Y181 HydrophobicContact CD1-CE1 4.26Å; I168-Y181 HydrophobicContact CG1-CD1 3.92Å; I168-Y181 HydrophobicContact CG1-CE1 4.05Å; I168-L182 HydrophobicContact CD1-CD2 3.89Å; I168-V186 HydrophobicContact CD1-CG2 3.92Å; I168-L250 HydrophobicContact CB-CD1 4.43Å; I168-L250 HydrophobicContact CD1-CD1 4.42Å; I168-L250 HydrophobicContact CG2-CD1 4.06Å
169	C	97.1	Very high	93.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	I	π-helix	trans	-81.6	-29.8	-170.5	-61	0	0	0	0	113.4	V165 E166 R178 V243 C246 E247	V165-C169 WeakPolarHBondContact O-CB 3.4Å; V165-C169 PolarHBondContact O-N 3.31Å; V165-C169 PolarHBondContact O-SG 2.94Å; E166-C169 PolarHBondContact O-N 2.93Å; C169-R178 PolarHBondContact O-NH2 3.44Å; C169-V243 HydrophobicContact CB-CG1 4.08Å; C169-V243 WeakPolarHBondContact O-CG1 3.1Å; C169-V243 WeakPolarHBondContact O-CG2 3.37Å; C169-C246 VanDerWaalsContact CA-SG 3.51Å; C169-C246 HydrophobicContact CB-CB 3.76Å; C169-C246 WeakPolarHBondContact CB-SG 3.42Å; C169-C246 WeakPolarHBondContact SG-CB 3.45Å; C169-C246 CovalentContact SG-SG 2.05Å; C169-C246 PolarHBondContact SG-SG 2.85Å; C169-E247 HydrophobicContact CB-CG 3.85Å; C169-E247 PolarHBondContact SG-N 3.13Å; C169-E247 VanDerWaalsContact SG-N 3.38Å
170	H	95.6	Very high	93.4	Very high	104 Å²	104	46.1 Å²	46.1	48%	0.481	24%	0.235	S	C	.	.	I	π-helix	trans	-101.3	-32.5	-179	-67.6	-86.8	0	0	0	114.4	E166 V243 E247	E166-H170 VanDerWaalsContact O-CB 3.32Å; E166-H170 WeakPolarHBondContact O-CB 3.37Å; E166-H170 PolarHBondContact O-CD2 3.23Å; E166-H170 PolarHBondContact O-N 2.6Å; H170-V243 VanDerWaalsContact CE1-CG1 3.46Å; H170-V243 WeakPolarHBondContact CE1-CG1 3.46Å; H170-E247 IonicContact CD2-OE1 3.9Å; H170-E247 PolarHBondContact CD2-OE1 2.97Å; H170-E247 IonicContact CE1-OE1 2.91Å; H170-E247 IonicContact NE2-OE1 3.47Å; H170-E247 PolarHBondContact NE2-OE1 3.48Å
171	R	93.3	Very high	93.4	Very high	175 Å²	175	46.8 Å²	46.8	66%	0.66	24%	0.237	S	C	*	.	I	π-helix	trans	-99.3	-27	-172.9	-53.3	-167.2	-172.5	173.4	0.2	114.1	F167	F167-R171 HydrophobicContact CD2-CB 4.2Å; F167-R171 HydrophobicContact CD2-CG 4.37Å; F167-R171 HydrophobicContact CE2-CB 4.38Å; F167-R171 WeakPolarHBondContact O-CA 3.38Å; F167-R171 VanDerWaalsContact O-CB 3.24Å; F167-R171 WeakPolarHBondContact O-CB 3.42Å; F167-R171 PolarHBondContact O-N 2.97Å
172	L	93	Very high	93.4	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.058	22%	0.22	C	C	.	.	S	Bend	trans	-77.3	132.1	174.7	-61.8	178.3	0	0	0	110.6	F167 I168 D174 A177 R178 Y181 L224	F167-L172 HydrophobicContact CE1-CD2 4.08Å; F167-L172 HydrophobicContact CE1-CG 4.25Å; F167-L172 HydrophobicContact CZ-CD2 4.24Å; F167-L172 PolarHBondContact O-N 3.38Å; I168-L172 HydrophobicContact CB-CD1 4.39Å; I168-L172 HydrophobicContact CG1-CD1 4.37Å; I168-L172 HydrophobicContact CG2-CD1 4.22Å; I168-L172 WeakPolarHBondContact O-CB 3.27Å; L172-D174 PolarHBondContact O-N 2.98Å; L172-A177 HydrophobicContact CB-CB 4.45Å; L172-R178 HydrophobicContact CB-CG 3.78Å; L172-R178 HydrophobicContact CD1-CG 4.2Å; L172-R178 PolarHBondContact O-NE 2.95Å; L172-R178 PolarHBondContact O-NH2 2.91Å; L172-R178 VanDerWaalsContact O-NH2 3.15Å; L172-Y181 HydrophobicContact CD1-CD1 4.27Å; L172-Y181 HydrophobicContact CD1-CD2 4.34Å; L172-Y181 HydrophobicContact CD1-CG 3.85Å; L172-L224 HydrophobicContact CD2-CD1 3.97Å
173	P	88.9	Confident	93.4	Very high	80 Å²	80	39.9 Å²	39.9	52%	0.519	19%	0.189	S	C	.	.			trans	-72	-30.6	-160.7	26.5	-35.6	0	0	0	114	A177 L224	P173-A177 HydrophobicContact CG-CB 4.12Å; P173-L224 HydrophobicContact CG-CD1 4.17Å; P173-L224 HydrophobicContact CG-CG 4.4Å
174	D	88.4	Confident	93.2	Very high	41 Å²	41	32.6 Å²	32.6	22%	0.219	16%	0.155	C	C	.	.	S	Bend	trans	-147.9	158.4	-170.8	70.9	77.1	0	0	0	111.5	L172 C176 A177 R178	L172-D174 PolarHBondContact O-N 2.98Å; D174-C176 VanDerWaalsContact C-N 3.27Å; D174-C176 PolarHBondContact O-N 2.82Å; D174-C176 WeakPolarHBondContact OD1-CA 3.47Å; D174-C176 WeakPolarHBondContact OD1-CB 3.17Å; D174-C176 PolarHBondContact OD1-N 2.94Å; D174-A177 WeakPolarHBondContact O-CB 3.41Å; D174-A177 PolarHBondContact O-N 3.12Å; D174-A177 VanDerWaalsContact O-N 3.13Å; D174-A177 PolarHBondContact OD1-N 2.82Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.39Å
175	P	91	Very high	92.9	Very high	26 Å²	26	33.1 Å²	33.1	17%	0.169	16%	0.157	C	C	.	.	H	α-helix	trans	-58.8	-33	-179.4	18.7	-32.1	0	0	0	114.3	R178 A179 E237 L240 T241	P175-R178 PolarHBondContact O-N 3.31Å; P175-A179 WeakPolarHBondContact O-CB 3.08Å; P175-A179 PolarHBondContact O-N 2.7Å; P175-E237 HydrophobicContact CB-CB 4.08Å; P175-E237 HydrophobicContact CB-CG 3.91Å; P175-E237 HydrophobicContact CG-CB 4.39Å; P175-E237 HydrophobicContact CG-CG 3.86Å; P175-L240 HydrophobicContact CB-CB 4.27Å; P175-T241 WeakPolarHBondContact CB-OG1 3.24Å; P175-T241 WeakPolarHBondContact CG-OG1 3.44Å
176	C	91.6	Very high	92.8	Very high	12 Å²	12	32.9 Å²	32.9	8%	0.081	16%	0.155	C	C	.	.	H	α-helix	trans	-69.1	-38.8	176.5	-75.5	0	0	0	0	111.2	D174 R178 A179 A180 C220 Y229	D174-C176 VanDerWaalsContact C-N 3.27Å; D174-C176 PolarHBondContact O-N 2.82Å; D174-C176 WeakPolarHBondContact OD1-CA 3.47Å; D174-C176 WeakPolarHBondContact OD1-CB 3.17Å; D174-C176 PolarHBondContact OD1-N 2.94Å; C176-R178 VanDerWaalsContact C-N 3.33Å; C176-A179 PolarHBondContact O-N 3.39Å; C176-A180 VanDerWaalsContact O-CB 3.26Å; C176-A180 WeakPolarHBondContact O-CB 3.48Å; C176-A180 PolarHBondContact O-N 3.26Å; C176-C220 HydrophobicContact CB-CB 3.53Å; C176-C220 WeakPolarHBondContact CB-SG 3.37Å; C176-C220 WeakPolarHBondContact SG-CA 3.29Å; C176-C220 WeakPolarHBondContact SG-CB 3.43Å; C176-C220 CovalentContact SG-SG 2.05Å; C176-C220 PolarHBondContact SG-SG 2.97Å; C176-Y229 HydrophobicContact CB-CD1 4.01Å; C176-Y229 HydrophobicContact CB-CE1 4.27Å
177	A	92.4	Very high	92.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.3	-42	173.8	0	0	0	0	0	111.1	L172 P173 D174 Y181 L224 L227 Y229	L172-A177 HydrophobicContact CB-CB 4.45Å; P173-A177 HydrophobicContact CG-CB 4.12Å; D174-A177 WeakPolarHBondContact O-CB 3.41Å; D174-A177 PolarHBondContact O-N 3.12Å; D174-A177 VanDerWaalsContact O-N 3.13Å; D174-A177 PolarHBondContact OD1-N 2.82Å; A177-Y181 VanDerWaalsContact O-CB 3.29Å; A177-Y181 WeakPolarHBondContact O-CB 3.49Å; A177-Y181 PolarHBondContact O-N 2.82Å; A177-L224 HydrophobicContact CB-CD1 4.11Å; A177-L227 HydrophobicContact CB-CD1 4.3Å; A177-Y229 HydrophobicContact CB-CE1 3.98Å
178	R	94.2	Very high	92.6	Very high	19 Å²	19	25.3 Å²	25.3	7%	0.072	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-47.7	173.9	-65.8	173.4	-166.9	172.4	2.9	111.5	I168 C169 L172 D174 P175 C176 Y181 L182 L240	I168-R178 HydrophobicContact CG2-CB 4.16Å; I168-R178 HydrophobicContact CG2-CG 4.09Å; I168-R178 WeakPolarHBondContact O-CG 2.98Å; I168-R178 PolarHBondContact O-NE 2.87Å; C169-R178 PolarHBondContact O-NH2 3.44Å; L172-R178 HydrophobicContact CB-CG 3.78Å; L172-R178 HydrophobicContact CD1-CG 4.2Å; L172-R178 PolarHBondContact O-NE 2.95Å; L172-R178 PolarHBondContact O-NH2 2.91Å; L172-R178 VanDerWaalsContact O-NH2 3.15Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.39Å; P175-R178 PolarHBondContact O-N 3.31Å; C176-R178 VanDerWaalsContact C-N 3.33Å; R178-Y181 PolarHBondContact O-N 3.36Å; R178-L182 WeakPolarHBondContact O-CB 3.35Å; R178-L182 VanDerWaalsContact O-CG 3.23Å; R178-L182 WeakPolarHBondContact O-CG 3.26Å; R178-L182 PolarHBondContact O-N 2.83Å; R178-L240 HydrophobicContact CB-CB 4.43Å; R178-L240 HydrophobicContact CB-CD1 4Å; R178-L240 HydrophobicContact CB-CD2 4.44Å; R178-L240 PolarHBondContact NH1-O 3Å
179	A	93.4	Very high	92.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-48.9	179.3	0	0	0	0	0	112.1	P175 C176 Y181 L182 R183 L197 D233 L240	P175-A179 WeakPolarHBondContact O-CB 3.08Å; P175-A179 PolarHBondContact O-N 2.7Å; C176-A179 PolarHBondContact O-N 3.39Å; A179-Y181 VanDerWaalsContact C-N 3.31Å; A179-Y181 PolarHBondContact O-N 3.15Å; A179-L182 PolarHBondContact O-N 2.86Å; A179-R183 WeakPolarHBondContact O-CB 3.34Å; A179-R183 PolarHBondContact O-N 3.01Å; A179-L197 HydrophobicContact CB-CD1 3.72Å; A179-L197 HydrophobicContact CB-CD2 4.16Å; A179-D233 HydrophobicContact CB-CB 3.77Å; A179-L240 HydrophobicContact CB-CD1 3.7Å
180	A	91	Very high	92.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-44.3	177.2	0	0	0	0	0	111.5	C176 R183 Q184 L227 Y229	C176-A180 VanDerWaalsContact O-CB 3.26Å; C176-A180 WeakPolarHBondContact O-CB 3.48Å; C176-A180 PolarHBondContact O-N 3.26Å; A180-R183 PolarHBondContact O-N 3.33Å; A180-Q184 WeakPolarHBondContact O-CB 3.21Å; A180-Q184 PolarHBondContact O-N 2.9Å; A180-Q184 PolarHBondContact O-NE2 3.47Å; A180-L227 HydrophobicContact CB-CB 4.28Å; A180-L227 HydrophobicContact CB-CD1 4.44Å; A180-Y229 HydrophobicContact CB-CD1 4.29Å
181	Y	93.1	Very high	92.1	Very high	22 Å²	22	25.1 Å²	25.1	9%	0.086	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-44.4	177.7	-169.1	-87	0	0	0	112.1	K158 L164 F167 I168 L172 A177 R178 A179 R183 Q184 H185 V186 L227	K158-Y181 PolarHBondContact NZ-OH 2.88Å; L164-Y181 HydrophobicContact CD1-CE1 4.15Å; F167-Y181 HydrophobicContact CE1-CE1 4.29Å; F167-Y181 AromaticContact CE1-CE2 4Å; F167-Y181 HydrophobicContact CE1-CE2 4Å; F167-Y181 AromaticContact CE1-CZ 3.83Å; I168-Y181 HydrophobicContact CD1-CD1 4.16Å; I168-Y181 HydrophobicContact CD1-CE1 4.26Å; I168-Y181 HydrophobicContact CG1-CD1 3.92Å; I168-Y181 HydrophobicContact CG1-CE1 4.05Å; L172-Y181 HydrophobicContact CD1-CD1 4.27Å; L172-Y181 HydrophobicContact CD1-CD2 4.34Å; L172-Y181 HydrophobicContact CD1-CG 3.85Å; A177-Y181 VanDerWaalsContact O-CB 3.29Å; A177-Y181 WeakPolarHBondContact O-CB 3.49Å; A177-Y181 PolarHBondContact O-N 2.82Å; R178-Y181 PolarHBondContact O-N 3.36Å; A179-Y181 VanDerWaalsContact C-N 3.31Å; A179-Y181 PolarHBondContact O-N 3.15Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 3.1Å; Y181-Q184 PolarHBondContact O-N 3.25Å; Y181-H185 AromaticContact CD2-CD2 3.79Å; Y181-H185 HydrophobicContact CE1-CB 4.33Å; Y181-H185 AromaticContact CE2-CD2 3.99Å; Y181-H185 PolarHBondContact O-N 3.34Å; Y181-V186 HydrophobicContact CD1-CG2 3.59Å; Y181-V186 HydrophobicContact CE1-CG2 3.59Å; Y181-L227 HydrophobicContact CD2-CD2 4.04Å
182	L	94.5	Very high	91.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.2	-40.9	176.8	-74.8	167.1	0	0	0	112.4	I168 R178 A179 V186 L196 L197 L200 L240 L250	I168-L182 HydrophobicContact CD1-CD2 3.89Å; R178-L182 WeakPolarHBondContact O-CB 3.35Å; R178-L182 VanDerWaalsContact O-CG 3.23Å; R178-L182 WeakPolarHBondContact O-CG 3.26Å; R178-L182 PolarHBondContact O-N 2.83Å; A179-L182 PolarHBondContact O-N 2.86Å; L182-V186 HydrophobicContact CD2-CB 3.97Å; L182-V186 HydrophobicContact CD2-CG1 4.11Å; L182-V186 HydrophobicContact CD2-CG2 4.07Å; L182-V186 PolarHBondContact O-N 2.83Å; L182-L196 HydrophobicContact CD2-CD2 3.94Å; L182-L197 HydrophobicContact CB-CB 4.05Å; L182-L197 HydrophobicContact CB-CD1 4.39Å; L182-L197 HydrophobicContact CD1-CD1 4.44Å; L182-L200 HydrophobicContact CD1-CD1 4.2Å; L182-L240 HydrophobicContact CD1-CD1 4.2Å; L182-L240 HydrophobicContact CD1-CD2 3.57Å; L182-L250 HydrophobicContact CD1-CD2 4.08Å; L182-L250 HydrophobicContact CD2-CD1 4.47Å; L182-L250 HydrophobicContact CD2-CD2 3.7Å
183	R	92.2	Very high	91.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-49.3	177.2	179.4	168.9	51.2	69.7	3.1	111.9	A179 A180 Y181 R187 L197 Y198 I228 D233 L479	A179-R183 WeakPolarHBondContact O-CB 3.34Å; A179-R183 PolarHBondContact O-N 3.01Å; A180-R183 PolarHBondContact O-N 3.33Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 3.1Å; R183-R187 PolarHBondContact O-NH1 3.43Å; R183-L197 HydrophobicContact CB-CB 4.08Å; R183-L197 HydrophobicContact CB-CD2 3.77Å; R183-L197 HydrophobicContact CG-CD2 4.44Å; R183-Y198 WeakPolarHBondContact CD-OH 3.26Å; R183-Y198 HydrophobicContact CG-CE2 4.13Å; R183-I228 PolarHBondContact NH2-O 3.31Å; R183-D233 IonicContact CZ-OD1 3.97Å; R183-D233 IonicContact CZ-OD2 3.73Å; R183-D233 IonicContact NE-OD1 3.38Å; R183-D233 PolarHBondContact NE-OD1 2.94Å; R183-D233 VanDerWaalsContact NE-OD1 3.09Å; R183-D233 IonicContact NE-OD2 3.43Å; R183-D233 IonicContact NH2-OD1 2.87Å; R183-D233 IonicContact NH2-OD2 2.65Å; R183-D233 PolarHBondContact NH2-OD2 3.01Å; R183-L479 VanDerWaalsContact CG-O 3.29Å; R183-L479 WeakPolarHBondContact CG-O 3.47Å
184	Q	88.6	Confident	91.6	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.023	9%	0.094	C	C	.	.	H	α-helix	trans	-73.7	-48.2	-174.4	-78.3	158.1	83.9	0	0	112	M155 A180 Y181 R187 I228 S480	M155-Q184 WeakPolarHBondContact CE-O 3.35Å; A180-Q184 WeakPolarHBondContact O-CB 3.21Å; A180-Q184 PolarHBondContact O-N 2.9Å; A180-Q184 PolarHBondContact O-NE2 3.47Å; Y181-Q184 PolarHBondContact O-N 3.25Å; Q184-R187 PolarHBondContact O-NH2 2.91Å; Q184-I228 PolarHBondContact NE2-O 2.99Å; Q184-S480 WeakPolarHBondContact CG-O 3.43Å
185	H	90.1	Very high	91.8	Very high	29 Å²	29	17.9 Å²	17.9	13%	0.134	8%	0.084	C	C	.	.	H	α-helix	trans	-114.7	-22.5	-161.5	-56.8	-68.1	0	0	0	115	I157 K158 Y181	I157-H185 CarbonylContact C-O 3.58Å; I157-H185 WeakPolarHBondContact CA-O 3.29Å; K158-H185 PolarHBondContact N-O 3.06Å; Y181-H185 AromaticContact CD2-CD2 3.79Å; Y181-H185 HydrophobicContact CE1-CB 4.33Å; Y181-H185 AromaticContact CE2-CD2 3.99Å; Y181-H185 PolarHBondContact O-N 3.34Å
186	V	93	Very high	91.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.8	-167.5	-169.7	0	0	0	0	111.7	K158 L160 L164 I168 Y181 L182 L196	K158-V186 WeakPolarHBondContact O-CA 3.44Å; L160-V186 HydrophobicContact CB-CG1 4.28Å; L160-V186 HydrophobicContact CD1-CG1 4.02Å; L164-V186 HydrophobicContact CD2-CG1 4.11Å; L164-V186 HydrophobicContact CD2-CG2 4.23Å; I168-V186 HydrophobicContact CD1-CG2 3.92Å; Y181-V186 HydrophobicContact CD1-CG2 3.59Å; Y181-V186 HydrophobicContact CE1-CG2 3.59Å; L182-V186 HydrophobicContact CD2-CB 3.97Å; L182-V186 HydrophobicContact CD2-CG1 4.11Å; L182-V186 HydrophobicContact CD2-CG2 4.07Å; L182-V186 PolarHBondContact O-N 2.83Å; V186-L196 HydrophobicContact CB-CB 4.47Å; V186-L196 HydrophobicContact CG1-CB 4.35Å; V186-L196 HydrophobicContact CG1-CD2 3.73Å; V186-L196 PolarHBondContact O-N 2.8Å
187	R	92.8	Very high	92	Very high	7 Å²	7	16.1 Å²	16.1	3%	0.026	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	161.8	175.6	-57.8	-66.8	179.7	-84.8	-5.1	110.9	I157 K158 F159 L160 R183 Q184 F192 L194 S480	I157-R187 HydrophobicContact CD1-CG 4.4Å; I157-R187 HydrophobicContact CG2-CB 4.05Å; I157-R187 HydrophobicContact CG2-CG 3.44Å; I157-R187 VanDerWaalsContact CG2-CG 3.44Å; K158-R187 PolarHBondContact O-N 2.79Å; F159-R187 WeakPolarHBondContact CA-O 3.4Å; F159-R187 HydrophobicContact CD1-CB 4.4Å; L160-R187 PolarHBondContact N-O 2.96Å; R183-R187 PolarHBondContact O-NH1 3.43Å; Q184-R187 PolarHBondContact O-NH2 2.91Å; R187-F192 VanDerWaalsContact CD-O 3.29Å; R187-F192 WeakPolarHBondContact CD-O 3.43Å; R187-F192 VanDerWaalsContact CG-O 3.3Å; R187-F192 WeakPolarHBondContact CG-O 3.47Å; R187-L194 VanDerWaalsContact CD-C 3.49Å; R187-L194 WeakPolarHBondContact CD-O 3.42Å; R187-S480 VanDerWaalsContact NH2-CB 3.3Å
188	H	94.4	Very high	92.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	7%	0.073	C	C	.	.			trans	-77.8	142.2	164.9	-164.8	-93.9	0	0	0	109.3	L190 C191 F192 L196 M257 D258	H188-L190 VanDerWaalsContact C-N 3.28Å; H188-L190 WeakPolarHBondContact ND1-CB 3.36Å; H188-L190 PolarHBondContact ND1-N 2.98Å; H188-L190 VanDerWaalsContact ND1-N 3.14Å; H188-L190 PolarHBondContact O-N 2.94Å; H188-C191 HydrophobicContact CB-CB 4.13Å; H188-C191 CarbonylContact O-C 3.56Å; H188-C191 VanDerWaalsContact O-C 3.24Å; H188-C191 PolarHBondContact O-N 2.95Å; H188-F192 PolarHBondContact O-N 2.85Å; H188-L196 HydrophobicContact CB-CD1 4.4Å; H188-M257 HydrophobicContact CB-CE 3.54Å; H188-M257 HydrophobicContact CB-SD 3.95Å; H188-M257 WeakPolarHBondContact NE2-CB 3.46Å; H188-D258 IonicContact CE1-OD1 3.51Å; H188-D258 PolarHBondContact CE1-OD1 3.47Å; H188-D258 IonicContact NE2-OD1 3.97Å; H188-D258 PolarHBondContact NE2-OD1 3.48Å
189	D	91.4	Very high	92.1	Very high	69 Å²	69	15.5 Å²	15.5	37%	0.369	7%	0.07	S	C	.	.	S	Bend	trans	-58.7	-37.8	177.9	48	-32	0	0	0	112.5	F159 K254	F159-D189 HydrophobicContact CB-CB 4.34Å; F159-D189 HydrophobicContact CD1-CB 4.37Å; F159-D189 HydrophobicContact CG-CB 4.38Å; D189-K254 IonicContact OD1-NZ 3.31Å; D189-K254 PolarHBondContact OD1-NZ 3.4Å; D189-K254 IonicContact OD2-NZ 2.68Å; D189-K254 PolarHBondContact OD2-NZ 2.85Å
190	L	92.9	Very high	92.1	Very high	29 Å²	29	15.5 Å²	15.5	15%	0.152	7%	0.07	C	C	.	.	S	Bend	trans	-82.8	-26.2	174.9	-56.6	179.7	0	0	0	114.1	H188 L261 F265	H188-L190 VanDerWaalsContact C-N 3.28Å; H188-L190 WeakPolarHBondContact ND1-CB 3.36Å; H188-L190 PolarHBondContact ND1-N 2.98Å; H188-L190 VanDerWaalsContact ND1-N 3.14Å; H188-L190 PolarHBondContact O-N 2.94Å; L190-L261 HydrophobicContact CB-CD1 4.11Å; L190-L261 HydrophobicContact CD1-CB 3.81Å; L190-L261 HydrophobicContact CD1-CD1 4.43Å; L190-F265 HydrophobicContact CB-CD2 4.25Å; L190-F265 HydrophobicContact CB-CE2 3.96Å; L190-F265 HydrophobicContact CD1-CD2 4.49Å; L190-F265 HydrophobicContact CD2-CD2 4.38Å
191	C	93	Very high	92.2	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	7%	0.07	C	C	.	.			trans	-123	67.3	-176.7	-60.8	0	0	0	0	111.8	H188 R193 L194 M257 L261 C305	H188-C191 HydrophobicContact CB-CB 4.13Å; H188-C191 CarbonylContact O-C 3.56Å; H188-C191 VanDerWaalsContact O-C 3.24Å; H188-C191 PolarHBondContact O-N 2.95Å; C191-R193 VanDerWaalsContact C-N 3.26Å; C191-R193 PolarHBondContact O-N 3.18Å; C191-L194 HydrophobicContact CB-CD1 4.44Å; C191-L194 PolarHBondContact O-N 2.98Å; C191-M257 HydrophobicContact CB-CE 3.68Å; C191-M257 VanDerWaalsContact SG-CE 3.53Å; C191-L261 WeakPolarHBondContact SG-CD1 3.24Å; C191-C305 WeakPolarHBondContact CA-SG 3.28Å; C191-C305 HydrophobicContact CB-CB 3.7Å; C191-C305 WeakPolarHBondContact CB-SG 3.42Å; C191-C305 WeakPolarHBondContact SG-CB 3.39Å; C191-C305 CovalentContact SG-SG 2.03Å; C191-C305 PolarHBondContact SG-SG 2.76Å
192	F	87.6	Confident	92.1	Very high	63 Å²	63	17.5 Å²	17.5	28%	0.276	8%	0.078	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.7	-171.2	64.4	-87.8	0	0	0	115.1	F159 R187 H188 E298	F159-F192 HydrophobicContact CE1-CB 3.94Å; R187-F192 VanDerWaalsContact CD-O 3.29Å; R187-F192 WeakPolarHBondContact CD-O 3.43Å; R187-F192 VanDerWaalsContact CG-O 3.3Å; R187-F192 WeakPolarHBondContact CG-O 3.47Å; H188-F192 PolarHBondContact O-N 2.85Å; F192-E298 HydrophobicContact CZ-CB 4.37Å; F192-E298 HydrophobicContact CZ-CG 4.26Å
193	R	87	Confident	92	Very high	88 Å²	88	19 Å²	19	33%	0.332	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.4	178.6	-67.2	-70.3	-175.8	169.9	-3.3	114.1	C191 W417 S476	C191-R193 VanDerWaalsContact C-N 3.26Å; C191-R193 PolarHBondContact O-N 3.18Å; R193-W417 HydrophobicContact CB-CH2 4.05Å; R193-W417 HydrophobicContact CG-CH2 4.32Å; R193-W417 HydrophobicContact CG-CZ3 4.48Å; R193-S476 WeakPolarHBondContact O-CB 3.49Å
194	L	90.4	Very high	91.6	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	9%	0.093	C	C	.	.	S	Bend	trans	-101.2	119.5	-172.7	-55.6	-176.6	0	0	0	110.6	R187 C191 L196 L199 C305 L311 F471	R187-L194 VanDerWaalsContact CD-C 3.49Å; R187-L194 WeakPolarHBondContact CD-O 3.42Å; C191-L194 HydrophobicContact CB-CD1 4.44Å; C191-L194 PolarHBondContact O-N 2.98Å; L194-L196 PolarHBondContact O-N 3.2Å; L194-L199 HydrophobicContact CB-CD1 4.08Å; L194-L199 HydrophobicContact CD1-CD1 4.4Å; L194-C305 HydrophobicContact CD1-CB 3.95Å; L194-L311 HydrophobicContact CD2-CD2 4.32Å; L194-F471 HydrophobicContact CD2-CE2 3.93Å
195	P	92.3	Very high	90.8	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-60.5	126.8	174.3	-22.1	32.9	0	0	0	111.5	L197 Y198 L479	P195-L197 PolarHBondContact O-N 3.49Å; P195-L197 VanDerWaalsContact O-N 3.15Å; P195-Y198 HydrophobicContact CB-CD2 3.86Å; P195-Y198 HydrophobicContact CB-CE2 4.15Å; P195-Y198 HydrophobicContact CG-CD2 4.16Å; P195-Y198 HydrophobicContact CG-CE2 4.29Å; P195-Y198 PolarHBondContact O-N 3.46Å; P195-L479 HydrophobicContact CG-CB 4.16Å
196	L	93.9	Very high	89.6	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-62.9	-28.6	-170.2	-165.8	71.2	0	0	0	113	L160 L182 V186 H188 L194 Y198 L199 L200 L250 L253 M257	L160-L196 HydrophobicContact CB-CD2 4.28Å; L160-L196 HydrophobicContact CD1-CD2 3.82Å; L160-L196 HydrophobicContact CD2-CD2 3.75Å; L160-L196 HydrophobicContact CG-CD2 4.17Å; L182-L196 HydrophobicContact CD2-CD2 3.94Å; V186-L196 HydrophobicContact CB-CB 4.47Å; V186-L196 HydrophobicContact CG1-CB 4.35Å; V186-L196 HydrophobicContact CG1-CD2 3.73Å; V186-L196 PolarHBondContact O-N 2.8Å; H188-L196 HydrophobicContact CB-CD1 4.4Å; L194-L196 PolarHBondContact O-N 3.2Å; L196-Y198 VanDerWaalsContact C-N 3.31Å; L196-Y198 PolarHBondContact O-N 2.88Å; L196-L199 PolarHBondContact O-N 3.15Å; L196-L199 VanDerWaalsContact O-N 3.11Å; L196-L200 PolarHBondContact O-N 2.71Å; L196-L250 HydrophobicContact CD2-CD2 3.96Å; L196-L253 HydrophobicContact CD1-CD2 3.54Å; L196-L253 HydrophobicContact CD1-CG 4.29Å; L196-L253 HydrophobicContact CG-CD2 3.85Å; L196-M257 HydrophobicContact CD1-SD 4.33Å
197	L	94.6	Very high	88	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-52.6	-47.2	178.6	-178.1	65.8	0	0	0	112.5	A179 L182 R183 P195 L199 L200 F236 L240	A179-L197 HydrophobicContact CB-CD1 3.72Å; A179-L197 HydrophobicContact CB-CD2 4.16Å; L182-L197 HydrophobicContact CB-CB 4.05Å; L182-L197 HydrophobicContact CB-CD1 4.39Å; L182-L197 HydrophobicContact CD1-CD1 4.44Å; R183-L197 HydrophobicContact CB-CB 4.08Å; R183-L197 HydrophobicContact CB-CD2 3.77Å; R183-L197 HydrophobicContact CG-CD2 4.44Å; P195-L197 PolarHBondContact O-N 3.49Å; P195-L197 VanDerWaalsContact O-N 3.15Å; L197-L199 PolarHBondContact O-N 2.85Å; L197-L200 HydrophobicContact CD1-CD1 3.87Å; L197-L200 PolarHBondContact O-N 2.86Å; L197-F236 HydrophobicContact CD1-CB 3.77Å; L197-F236 HydrophobicContact CD1-CD1 3.89Å; L197-F236 HydrophobicContact CD1-CD2 3.73Å; L197-F236 HydrophobicContact CD1-CE1 4.43Å; L197-F236 HydrophobicContact CD1-CE2 4.31Å; L197-F236 HydrophobicContact CD1-CG 3.51Å; L197-F236 HydrophobicContact CD2-CD2 3.78Å; L197-F236 HydrophobicContact CD2-CE2 3.78Å; L197-F236 HydrophobicContact CD2-CG 4.42Å; L197-F236 HydrophobicContact CD2-CZ 4.42Å; L197-F236 HydrophobicContact CG-CD1 4.16Å; L197-F236 HydrophobicContact CG-CD2 3.8Å; L197-F236 HydrophobicContact CG-CE1 4.21Å; L197-F236 HydrophobicContact CG-CE2 3.86Å; L197-F236 HydrophobicContact CG-CG 3.96Å; L197-F236 HydrophobicContact CG-CZ 4.08Å; L197-F236 WeakPolarHBondContact O-CE1 3.23Å; L197-L240 HydrophobicContact CD1-CD1 4.36Å
198	Y	92.8	Very high	86	Confident	6 Å²	6	40 Å²	40	2%	0.024	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-75	-3.8	-174.4	-59.3	-57.4	0	0	0	113.5	R183 P195 L196 F236 Y312 Y313 P314 L479	R183-Y198 WeakPolarHBondContact CD-OH 3.26Å; R183-Y198 HydrophobicContact CG-CE2 4.13Å; P195-Y198 HydrophobicContact CB-CD2 3.86Å; P195-Y198 HydrophobicContact CB-CE2 4.15Å; P195-Y198 HydrophobicContact CG-CD2 4.16Å; P195-Y198 HydrophobicContact CG-CE2 4.29Å; P195-Y198 PolarHBondContact O-N 3.46Å; L196-Y198 VanDerWaalsContact C-N 3.31Å; L196-Y198 PolarHBondContact O-N 2.88Å; Y198-F236 HydrophobicContact CD1-CE2 4.46Å; Y198-F236 AromaticContact CD1-CZ 3.9Å; Y198-F236 HydrophobicContact CD1-CZ 3.9Å; Y198-F236 HydrophobicContact CE1-CE2 4.46Å; Y198-F236 HydrophobicContact CE1-CZ 4.32Å; Y198-Y312 WeakPolarHBondContact CD1-O 3.31Å; Y198-Y312 WeakPolarHBondContact O-CB 3.02Å; Y198-Y312 PolarHBondContact O-N 3.03Å; Y198-Y313 HydrophobicContact CE1-CD2 4.26Å; Y198-P314 HydrophobicContact CE1-CG 4.29Å; Y198-L479 HydrophobicContact CE2-CB 4.05Å; Y198-L479 HydrophobicContact CE2-CD2 3.89Å; Y198-L479 HydrophobicContact CE2-CG 4.4Å
199	L	94.4	Very high	83.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-103.7	-12.5	177.9	-54.3	-175.4	0	0	0	112.4	L194 L196 L197 P201 Y202 L253 M257 F309 L311	L194-L199 HydrophobicContact CB-CD1 4.08Å; L194-L199 HydrophobicContact CD1-CD1 4.4Å; L196-L199 PolarHBondContact O-N 3.15Å; L196-L199 VanDerWaalsContact O-N 3.11Å; L197-L199 PolarHBondContact O-N 2.85Å; L199-P201 VanDerWaalsContact C-N 3.27Å; L199-P201 VanDerWaalsContact O-N 3.15Å; L199-Y202 HydrophobicContact CD2-CE2 4.42Å; L199-Y202 WeakPolarHBondContact O-CB 3.37Å; L199-Y202 WeakPolarHBondContact O-CD2 3.37Å; L199-Y202 PolarHBondContact O-N 3.49Å; L199-Y202 VanDerWaalsContact O-N 3.11Å; L199-L253 HydrophobicContact CB-CD1 4.15Å; L199-L253 HydrophobicContact CB-CD2 3.93Å; L199-L253 WeakPolarHBondContact O-CD1 3.38Å; L199-M257 HydrophobicContact CD1-CE 3.76Å; L199-M257 HydrophobicContact CD1-SD 3.97Å; L199-F309 HydrophobicContact CD2-CB 3.97Å; L199-L311 HydrophobicContact CD2-CD2 3.81Å
200	L	93.9	Very high	81.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-50.5	-38.1	178.9	-72.6	178.3	0	0	0	114.7	L182 L196 L197 Y202 T203 F236 F239 L240 L250 L253	L182-L200 HydrophobicContact CD1-CD1 4.2Å; L196-L200 PolarHBondContact O-N 2.71Å; L197-L200 HydrophobicContact CD1-CD1 3.87Å; L197-L200 PolarHBondContact O-N 2.86Å; L200-Y202 PolarHBondContact O-N 3.43Å; L200-Y202 VanDerWaalsContact O-N 3.14Å; L200-T203 PolarHBondContact O-N 3.36Å; L200-T203 VanDerWaalsContact O-N 3.11Å; L200-T203 PolarHBondContact O-OG1 2.92Å; L200-F236 HydrophobicContact CD1-CD1 4.38Å; L200-F239 HydrophobicContact CB-CB 4.29Å; L200-F239 HydrophobicContact CB-CD2 4.25Å; L200-F239 HydrophobicContact CB-CG 4.16Å; L200-F239 HydrophobicContact CD1-CB 4.03Å; L200-L240 HydrophobicContact CD1-CD1 4.36Å; L200-L240 HydrophobicContact CD1-CD2 3.85Å; L200-L240 HydrophobicContact CD1-CG 4.12Å; L200-L250 HydrophobicContact CD2-CD2 3.78Å; L200-L253 HydrophobicContact CD2-CD2 4.08Å
201	P	92.3	Very high	79.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.2	-179.1	-29.9	40.6	0	0	0	113.3	L199 T203 D204 L207 F236 F239 Y312 L408	L199-P201 VanDerWaalsContact C-N 3.27Å; L199-P201 VanDerWaalsContact O-N 3.15Å; P201-T203 PolarHBondContact O-N 3.15Å; P201-D204 PolarHBondContact O-N 2.05Å; P201-L207 HydrophobicContact CB-CD1 3.61Å; P201-L207 WeakPolarHBondContact O-CD1 3.34Å; P201-F236 HydrophobicContact CG-CE1 4.35Å; P201-F239 HydrophobicContact CB-CZ 4.06Å; P201-F239 HydrophobicContact CG-CE2 4.05Å; P201-F239 HydrophobicContact CG-CZ 4.05Å; P201-Y312 HydrophobicContact CB-CD1 3.84Å; P201-Y312 HydrophobicContact CB-CD2 3.68Å; P201-Y312 HydrophobicContact CB-CE1 4.04Å; P201-Y312 HydrophobicContact CB-CE2 3.88Å; P201-Y312 HydrophobicContact CB-CG 3.65Å; P201-Y312 HydrophobicContact CG-CD1 4.09Å; P201-Y312 HydrophobicContact CG-CD2 3.95Å; P201-Y312 HydrophobicContact CG-CG 3.63Å; P201-L408 HydrophobicContact CG-CD1 3.99Å
202	Y	91.8	Very high	77.4	Confident	64 Å²	64	55.5 Å²	55.5	25%	0.251	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-53.9	-16.5	176.7	-78.1	-84.8	0	0	0	115.3	L199 L200 F309 P310 Y312	L199-Y202 HydrophobicContact CD2-CE2 4.42Å; L199-Y202 WeakPolarHBondContact O-CB 3.37Å; L199-Y202 WeakPolarHBondContact O-CD2 3.37Å; L199-Y202 PolarHBondContact O-N 3.49Å; L199-Y202 VanDerWaalsContact O-N 3.11Å; L200-Y202 PolarHBondContact O-N 3.43Å; L200-Y202 VanDerWaalsContact O-N 3.14Å; Y202-F309 HydrophobicContact CD1-CD1 4Å; Y202-F309 HydrophobicContact CD1-CE1 4.26Å; Y202-F309 HydrophobicContact CD2-CD1 4.01Å; Y202-F309 AromaticContact CE1-CD1 3.91Å; Y202-F309 HydrophobicContact CE1-CD1 3.91Å; Y202-F309 HydrophobicContact CE1-CE1 4.46Å; Y202-F309 HydrophobicContact CE2-CB 4.17Å; Y202-F309 AromaticContact CE2-CD1 3.94Å; Y202-F309 HydrophobicContact CE2-CD1 3.94Å; Y202-F309 HydrophobicContact CG-CD1 4.06Å; Y202-F309 HydrophobicContact CG-CE1 4.44Å; Y202-F309 AromaticContact CZ-CD1 3.89Å; Y202-F309 WeakPolarHBondContact OH-CA 3.38Å; Y202-P310 WeakPolarHBondContact CE2-O 3.23Å; Y202-P310 WeakPolarHBondContact OH-CD 3.29Å; Y202-P310 PolarHBondContact OH-O 3.27Å; Y202-Y312 HydrophobicContact CD2-CD2 4.18Å; Y202-Y312 AromaticContact CD2-CE2 3.83Å; Y202-Y312 HydrophobicContact CD2-CE2 3.83Å; Y202-Y312 AromaticContact CE2-CD2 3.9Å; Y202-Y312 HydrophobicContact CE2-CD2 3.9Å; Y202-Y312 AromaticContact CE2-CE2 3.55Å; Y202-Y312 HydrophobicContact CE2-CE2 3.55Å; Y202-Y312 HydrophobicContact CG-CE2 4.43Å; Y202-Y312 AromaticContact CZ-CE2 3.94Å
203	T	92	Very high	75.5	Confident	31 Å²	31	53 Å²	53	19%	0.19	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-78	-15.6	175.1	64.1	0	0	0	0	114.7	L200 P201 S249 L253	L200-T203 PolarHBondContact O-N 3.36Å; L200-T203 VanDerWaalsContact O-N 3.11Å; L200-T203 PolarHBondContact O-OG1 2.92Å; P201-T203 PolarHBondContact O-N 3.15Å; T203-S249 VanDerWaalsContact CG2-O 3.3Å; T203-S249 WeakPolarHBondContact CG2-O 3.49Å; T203-L253 HydrophobicContact CG2-CB 3.68Å; T203-L253 HydrophobicContact CG2-CD1 4.49Å
204	D	84.5	Confident	73.7	Confident	23 Å²	23	56.1 Å²	56.1	12%	0.123	28%	0.281	C	S	.	.			trans	-92.5	109.1	178.1	-168.3	-11	0	0	0	110.8	P201 R206 L207 F239	P201-D204 PolarHBondContact O-N 2.05Å; D204-R206 PolarHBondContact O-N 2.97Å; D204-R206 WeakPolarHBondContact OD1-CB 3.34Å; D204-R206 VanDerWaalsContact OD1-CG 3.27Å; D204-R206 WeakPolarHBondContact OD1-CG 3.29Å; D204-R206 IonicContact OD1-CZ 2.84Å; D204-R206 PolarHBondContact OD1-N 3.34Å; D204-R206 IonicContact OD1-NE 3.51Å; D204-R206 PolarHBondContact OD1-NE 3.12Å; D204-R206 IonicContact OD1-NH2 3.51Å; D204-R206 IonicContact OD2-CZ 3.07Å; D204-R206 IonicContact OD2-NE 3.24Å; D204-R206 PolarHBondContact OD2-NE 3.09Å; D204-R206 IonicContact OD2-NH2 3.24Å; D204-R206 PolarHBondContact OD2-NH2 2.91Å; D204-L207 HydrophobicContact CB-CD1 3.78Å; D204-L207 HydrophobicContact CB-CG 4.21Å; D204-L207 WeakPolarHBondContact O-CB 2.84Å; D204-L207 PolarHBondContact O-N 2.84Å; D204-F239 HydrophobicContact CB-CE1 4.15Å
205	S	71	Confident	71.8	Confident	114 Å²	114	61.4 Å²	61.4	80%	0.797	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-7.1	177.3	57.7	0	0	0	0	114.1	L207	S205-L207 VanDerWaalsContact C-N 3.32Å
206	R	65	Low	70	Confident	149 Å²	149	64.6 Å²	64.6	56%	0.562	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.6	178.1	-57.5	173.8	-65.3	174.1	6.2	113.5	D204 D208 Y211	D204-R206 PolarHBondContact O-N 2.97Å; D204-R206 WeakPolarHBondContact OD1-CB 3.34Å; D204-R206 VanDerWaalsContact OD1-CG 3.27Å; D204-R206 WeakPolarHBondContact OD1-CG 3.29Å; D204-R206 IonicContact OD1-CZ 2.84Å; D204-R206 PolarHBondContact OD1-N 3.34Å; D204-R206 IonicContact OD1-NE 3.51Å; D204-R206 PolarHBondContact OD1-NE 3.12Å; D204-R206 IonicContact OD1-NH2 3.51Å; D204-R206 IonicContact OD2-CZ 3.07Å; D204-R206 IonicContact OD2-NE 3.24Å; D204-R206 PolarHBondContact OD2-NE 3.09Å; D204-R206 IonicContact OD2-NH2 3.24Å; D204-R206 PolarHBondContact OD2-NH2 2.91Å; R206-D208 VanDerWaalsContact C-N 3.26Å; R206-D208 PolarHBondContact O-N 2.94Å; R206-D208 VanDerWaalsContact O-N 3.17Å; R206-Y211 HydrophobicContact CB-CE2 4.46Å
207	L	59.8	Low	68	Low	31 Å²	31	68.2 Å²	68.2	16%	0.162	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	13.9	-170.5	-84.6	161.1	0	0	0	117.1	P201 D204 S205 K209 Y211 Y312	P201-L207 HydrophobicContact CB-CD1 3.61Å; P201-L207 WeakPolarHBondContact O-CD1 3.34Å; D204-L207 HydrophobicContact CB-CD1 3.78Å; D204-L207 HydrophobicContact CB-CG 4.21Å; D204-L207 WeakPolarHBondContact O-CB 2.84Å; D204-L207 PolarHBondContact O-N 2.84Å; S205-L207 VanDerWaalsContact C-N 3.32Å; L207-K209 PolarHBondContact O-N 3.3Å; L207-Y211 HydrophobicContact CD2-CG 4.42Å; L207-Y312 HydrophobicContact CD2-CE1 4.02Å
208	D	51.6	Low	66	Low	165 Å²	165	69.5 Å²	69.5	88%	0.882	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-3.1	168.5	-76.2	-21.1	0	0	0	113.6	R206	R206-D208 VanDerWaalsContact C-N 3.26Å; R206-D208 PolarHBondContact O-N 2.94Å; R206-D208 VanDerWaalsContact O-N 3.17Å
209	K	47.8	Very low	64.7	Low	158 Å²	158	74.2 Å²	74.2	69%	0.687	38%	0.382	S	S	*	.	S	Bend	trans	-127.5	141.3	174.3	-64.8	177.8	-178.1	179.2	0	108.3	L207 Y211	L207-K209 PolarHBondContact O-N 3.3Å; K209-Y211 VanDerWaalsContact C-N 3.27Å; K209-Y211 PolarHBondContact O-N 2.98Å
210	P	47.4	Very low	63.8	Low	90 Å²	90	75.4 Å²	75.4	58%	0.584	39%	0.39	S	S	*	.			trans	-60.7	97.1	175.2	26.4	-32.3	0	0	0	107	L212	P210-L212 PolarHBondContact O-N 2.7Å
211	Y	47.8	Very low	62.8	Low	78 Å²	78	85 Å²	85	31%	0.306	43%	0.432	S	S	.	.			trans	-67.1	107.1	-165.8	-155.2	-95.7	0	0	0	106.7	R206 L207 K209 S213	R206-Y211 HydrophobicContact CB-CE2 4.46Å; L207-Y211 HydrophobicContact CD2-CG 4.42Å; K209-Y211 VanDerWaalsContact C-N 3.27Å; K209-Y211 PolarHBondContact O-N 2.98Å; Y211-S213 VanDerWaalsContact CD1-N 3.29Å; Y211-S213 VanDerWaalsContact CE1-CB 3.46Å; Y211-S213 PolarHBondContact O-N 2.82Å
212	L	46.9	Very low	61.9	Low	101 Å²	101	86.7 Å²	86.7	53%	0.529	45%	0.45	S	S	.	.			trans	-67.5	69.4	154.8	-77.9	105.1	0	0	0	106.3	P210 E214	P210-L212 PolarHBondContact O-N 2.7Å; L212-E214 PolarHBondContact O-N 3.13Å
213	S	47.9	Very low	61.1	Low	9 Å²	9	87.5 Å²	87.5	6%	0.063	47%	0.465	C	S	.	.			trans	-68.5	107.4	166.6	31.1	0	0	0	0	106.2	Y211	Y211-S213 VanDerWaalsContact CD1-N 3.29Å; Y211-S213 VanDerWaalsContact CE1-CB 3.46Å; Y211-S213 PolarHBondContact O-N 2.82Å
214	E	49.8	Very low	60.7	Low	154 Å²	154	89.2 Å²	89.2	72%	0.72	47%	0.473	S	S	*	.			trans	16.9	106.9	153.4	-72.1	177	164.5	0	0	115.1	L212 K216	L212-E214 PolarHBondContact O-N 3.13Å; E214-K216 PolarHBondContact O-N 3.06Å
215	Y	50.7	Low	60.1	Low	114 Å²	114	93.4 Å²	93.4	45%	0.447	50%	0.504	S	S	.	.			trans	-26.3	92.4	151.2	-64	-50.1	0	0	0	112.8	P217 D317 L405	Y215-P217 VanDerWaalsContact O-CD 3.24Å; Y215-P217 WeakPolarHBondContact O-CD 3.4Å; Y215-D317 HydrophobicContact CE1-CB 4.2Å; Y215-D317 WeakPolarHBondContact CE1-OD2 3.49Å; Y215-D317 PolarHBondContact OH-OD2 2.94Å; Y215-D317 VanDerWaalsContact OH-OD2 3.11Å; Y215-L405 VanDerWaalsContact CB-CD2 3.46Å; Y215-L405 HydrophobicContact CD1-CB 3.55Å; Y215-L405 HydrophobicContact CD1-CD1 3.43Å; Y215-L405 VanDerWaalsContact CD1-CD1 3.43Å; Y215-L405 HydrophobicContact CD1-CD2 3.56Å; Y215-L405 HydrophobicContact CD1-CG 3.64Å; Y215-L405 HydrophobicContact CE1-CB 3.88Å; Y215-L405 HydrophobicContact CE1-CD1 3.66Å; Y215-L405 HydrophobicContact CE1-CG 4.18Å; Y215-L405 HydrophobicContact CG-CD1 3.9Å; Y215-L405 HydrophobicContact CG-CD2 3.79Å; Y215-L405 HydrophobicContact CG-CG 4.25Å
216	K	54.8	Low	60.5	Low	68 Å²	68	95.8 Å²	95.8	30%	0.296	50%	0.502	S	S	.	.			trans	-98.7	107.5	170.5	-81.2	-169	174	-169.3	0	109	E214 G218 E237	E214-K216 PolarHBondContact O-N 3.06Å; K216-G218 PolarHBondContact O-N 3.4Å; K216-E237 WeakPolarHBondContact CD-OE2 3.29Å; K216-E237 IonicContact NZ-OE2 3.17Å; K216-E237 PolarHBondContact NZ-OE2 3.08Å
217	P	50.7	Low	61.4	Low	77 Å²	77	89.7 Å²	89.7	50%	0.5	48%	0.48	S	S	.	.			trans	-71.6	72.9	166.9	29	-32.6	0	0	0	109.4	Y215 H403	Y215-P217 VanDerWaalsContact O-CD 3.24Å; Y215-P217 WeakPolarHBondContact O-CD 3.4Å; P217-H403 HydrophobicContact CB-CB 3.91Å; P217-H403 WeakPolarHBondContact CB-ND1 3.02Å
218	G	54.2	Low	62.6	Low	27 Å²	27	91.8 Å²	91.8	28%	0.278	49%	0.491	S	S	.	.			trans	-104.7	98.8	178.5	0	0	0	0	0	110.7	K216 C220 S234	K216-G218 PolarHBondContact O-N 3.4Å; G218-C220 PolarHBondContact O-N 3.15Å; G218-S234 WeakPolarHBondContact O-CB 3.29Å; G218-S234 PolarHBondContact O-OG 3.45Å; G218-S234 VanDerWaalsContact O-OG 3.09Å
219	T	64.2	Low	64.1	Low	104 Å²	104	85.8 Å²	85.8	64%	0.638	46%	0.456	S	S	*	.			trans	-78	115	163	54.3	0	0	0	0	108.3	K221	T219-K221 PolarHBondContact O-N 3.35Å; T219-K221 VanDerWaalsContact O-N 3.12Å
220	C	76.7	Confident	65.8	Low	26 Å²	26	80 Å²	80	18%	0.176	43%	0.433	C	S	.	.			trans	-64.8	112.6	171.7	-63.8	0	0	0	0	109.2	C176 G218 G222 Y229 L230	C176-C220 HydrophobicContact CB-CB 3.53Å; C176-C220 WeakPolarHBondContact CB-SG 3.37Å; C176-C220 WeakPolarHBondContact SG-CA 3.29Å; C176-C220 WeakPolarHBondContact SG-CB 3.43Å; C176-C220 CovalentContact SG-SG 2.05Å; C176-C220 PolarHBondContact SG-SG 2.97Å; G218-C220 PolarHBondContact O-N 3.15Å; C220-G222 PolarHBondContact O-N 3.38Å; C220-Y229 HydrophobicContact CB-CD1 4.11Å; C220-Y229 HydrophobicContact CB-CG 4.5Å; C220-L230 PolarHBondContact SG-O 3.46Å; C220-L230 VanDerWaalsContact SG-O 3.36Å
221	K	71.7	Confident	67.3	Low	200 Å²	200	78.7 Å²	78.7	87%	0.87	42%	0.424	S	S	*	.			trans	-69.4	-17.8	-175.3	-68.7	-174.7	178.1	-178.6	0	113.8	T219	T219-K221 PolarHBondContact O-N 3.35Å; T219-K221 VanDerWaalsContact O-N 3.12Å
222	G	73.5	Confident	68.9	Low	38 Å²	38	75.6 Å²	75.6	39%	0.392	41%	0.414	S	S	.	.			trans	59	100.3	173.2	0	0	0	0	0	114.4	C220 Y229	C220-G222 PolarHBondContact O-N 3.38Å; G222-Y229 VanDerWaalsContact CA-CE2 3.48Å
223	S	75.4	Confident	70.9	Confident	80 Å²	80	70.9 Å²	70.9	56%	0.559	39%	0.389	S	S	*	.			trans	-113.7	-23.1	-177	60.1	0	0	0	0	114.6	Y229	S223-Y229 PolarHBondContact N-OH 3.04Å
224	L	83.3	Confident	72.7	Confident	68 Å²	68	70.7 Å²	70.7	36%	0.356	39%	0.388	S	S	.	.			trans	-98.5	125.5	-174.8	-61.8	174.6	0	0	0	111.6	L172 P173 A177 H226 L227 Y229	L172-L224 HydrophobicContact CD2-CD1 3.97Å; P173-L224 HydrophobicContact CG-CD1 4.17Å; P173-L224 HydrophobicContact CG-CG 4.4Å; A177-L224 HydrophobicContact CB-CD1 4.11Å; L224-H226 PolarHBondContact O-N 2.87Å; L224-H226 VanDerWaalsContact O-N 3.09Å; L224-L227 HydrophobicContact CB-CD1 4.22Å; L224-L227 HydrophobicContact CB-CG 4.46Å; L224-L227 HydrophobicContact CD1-CD1 3.82Å; L224-L227 PolarHBondContact O-N 3.02Å; L224-Y229 WeakPolarHBondContact CB-OH 3.25Å; L224-Y229 PolarHBondContact N-OH 3.47Å; L224-Y229 VanDerWaalsContact N-OH 3.1Å
225	S	72.3	Confident	74.4	Confident	111 Å²	111	63.8 Å²	63.8	78%	0.776	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.5	-170	52.3	0	0	0	0	116.4
226	H	79.8	Confident	76.3	Confident	164 Å²	164	58.4 Å²	58.4	76%	0.759	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	6.2	-177.4	-58.9	-68.6	0	0	0	113.5	L224	L224-H226 PolarHBondContact O-N 2.87Å; L224-H226 VanDerWaalsContact O-N 3.09Å
227	L	83.9	Confident	78	Confident	20 Å²	20	58.2 Å²	58.2	11%	0.105	34%	0.335	C	S	.	.			trans	-109.7	130	176.5	-70.1	179.3	0	0	0	110.4	A177 A180 Y181 L224 Y229	A177-L227 HydrophobicContact CB-CD1 4.3Å; A180-L227 HydrophobicContact CB-CB 4.28Å; A180-L227 HydrophobicContact CB-CD1 4.44Å; Y181-L227 HydrophobicContact CD2-CD2 4.04Å; L224-L227 HydrophobicContact CB-CD1 4.22Å; L224-L227 HydrophobicContact CB-CG 4.46Å; L224-L227 HydrophobicContact CD1-CD1 3.82Å; L224-L227 PolarHBondContact O-N 3.02Å; L227-Y229 HydrophobicContact CB-CD2 4.33Å; L227-Y229 HydrophobicContact CB-CE2 3.79Å; L227-Y229 VanDerWaalsContact O-CD2 3.23Å; L227-Y229 WeakPolarHBondContact O-CD2 3.4Å; L227-Y229 WeakPolarHBondContact O-CE2 3.49Å; L227-Y229 PolarHBondContact O-N 2.96Å
228	I	84.3	Confident	79.8	Confident	75 Å²	75	57.2 Å²	57.2	39%	0.385	32%	0.324	S	S	.	.			trans	-86.1	109.8	170.2	-57.1	172.8	0	0	0	107.9	R183 Q184 S482	R183-I228 PolarHBondContact NH2-O 3.31Å; Q184-I228 PolarHBondContact NE2-O 2.99Å; I228-S482 WeakPolarHBondContact CG2-OG 3.47Å
229	Y	84.1	Confident	81.6	Confident	40 Å²	40	56.4 Å²	56.4	16%	0.157	31%	0.313	C	S	.	.			trans	-86.5	134.9	178.7	-63.6	-97.8	0	0	0	110.7	C176 A177 A180 C220 G222 S223 L224 L227	C176-Y229 HydrophobicContact CB-CD1 4.01Å; C176-Y229 HydrophobicContact CB-CE1 4.27Å; A177-Y229 HydrophobicContact CB-CE1 3.98Å; A180-Y229 HydrophobicContact CB-CD1 4.29Å; C220-Y229 HydrophobicContact CB-CD1 4.11Å; C220-Y229 HydrophobicContact CB-CG 4.5Å; G222-Y229 VanDerWaalsContact CA-CE2 3.48Å; S223-Y229 PolarHBondContact N-OH 3.04Å; L224-Y229 WeakPolarHBondContact CB-OH 3.25Å; L224-Y229 PolarHBondContact N-OH 3.47Å; L224-Y229 VanDerWaalsContact N-OH 3.1Å; L227-Y229 HydrophobicContact CB-CD2 4.33Å; L227-Y229 HydrophobicContact CB-CE2 3.79Å; L227-Y229 VanDerWaalsContact O-CD2 3.23Å; L227-Y229 WeakPolarHBondContact O-CD2 3.4Å; L227-Y229 WeakPolarHBondContact O-CE2 3.49Å; L227-Y229 PolarHBondContact O-N 2.96Å
230	L	81.7	Confident	83	Confident	36 Å²	36	51.5 Å²	51.5	19%	0.188	28%	0.282	C	S	.	.			trans	-107.7	143.7	171.1	-68	178.5	0	0	0	110.6	C220 S232 D233 S482	C220-L230 PolarHBondContact SG-O 3.46Å; C220-L230 VanDerWaalsContact SG-O 3.36Å; L230-S232 PolarHBondContact O-N 2.75Å; L230-S232 VanDerWaalsContact O-N 3.15Å; L230-D233 PolarHBondContact N-OD2 3.31Å; L230-D233 VanDerWaalsContact O-CB 3.26Å; L230-D233 WeakPolarHBondContact O-CB 3.1Å; L230-D233 PolarHBondContact O-N 3.35Å; L230-S482 WeakPolarHBondContact CD2-OG 3.5Å
231	P	79.1	Confident	83.7	Confident	63 Å²	63	52.6 Å²	52.6	41%	0.409	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-54.8	-34.4	173.8	-25.9	34.7	0	0	0	112.8	D233 S234 L404 F406	P231-D233 VanDerWaalsContact C-N 3.26Å; P231-D233 PolarHBondContact O-N 2.78Å; P231-S234 PolarHBondContact O-OG 3.35Å; P231-L404 HydrophobicContact CB-CD1 4.37Å; P231-F406 HydrophobicContact CB-CE2 3.87Å; P231-F406 HydrophobicContact CB-CZ 3.82Å
232	S	83	Confident	84.7	Confident	13 Å²	13	46 Å²	46	9%	0.091	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-69.4	-16.7	176.9	59.8	0	0	0	0	114.4	L230 S234 I235	L230-S232 PolarHBondContact O-N 2.75Å; L230-S232 VanDerWaalsContact O-N 3.15Å; S232-S234 PolarHBondContact O-N 3.26Å; S232-I235 WeakPolarHBondContact O-CG2 3.36Å; S232-I235 PolarHBondContact O-N 2.92Å
233	D	87.7	Confident	85.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-62.3	-25.9	-179.6	-71.7	-23.2	0	0	0	111.1	A179 R183 L230 P231 I235 F236	A179-D233 HydrophobicContact CB-CB 3.77Å; R183-D233 IonicContact CZ-OD1 3.97Å; R183-D233 IonicContact CZ-OD2 3.73Å; R183-D233 IonicContact NE-OD1 3.38Å; R183-D233 PolarHBondContact NE-OD1 2.94Å; R183-D233 VanDerWaalsContact NE-OD1 3.09Å; R183-D233 IonicContact NE-OD2 3.43Å; R183-D233 IonicContact NH2-OD1 2.87Å; R183-D233 IonicContact NH2-OD2 2.65Å; R183-D233 PolarHBondContact NH2-OD2 3.01Å; L230-D233 PolarHBondContact N-OD2 3.31Å; L230-D233 VanDerWaalsContact O-CB 3.26Å; L230-D233 WeakPolarHBondContact O-CB 3.1Å; L230-D233 PolarHBondContact O-N 3.35Å; P231-D233 VanDerWaalsContact C-N 3.26Å; P231-D233 PolarHBondContact O-N 2.78Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 3.11Å; D233-F236 PolarHBondContact O-N 3.28Å
234	S	85.9	Confident	86.6	Confident	6 Å²	6	48.3 Å²	48.3	4%	0.042	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-63.1	-26.8	177.7	64.3	0	0	0	0	114.5	G218 P231 S232 F236 E237	G218-S234 WeakPolarHBondContact O-CB 3.29Å; G218-S234 PolarHBondContact O-OG 3.45Å; G218-S234 VanDerWaalsContact O-OG 3.09Å; P231-S234 PolarHBondContact O-OG 3.35Å; S232-S234 PolarHBondContact O-N 3.26Å; S234-F236 PolarHBondContact O-N 3.09Å; S234-E237 VanDerWaalsContact O-CB 3.25Å; S234-E237 WeakPolarHBondContact O-CB 3.25Å; S234-E237 PolarHBondContact O-N 3.23Å; S234-E237 VanDerWaalsContact O-N 3.12Å
235	I	85.6	Confident	87.2	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.041	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-64.5	-23.7	-179.6	-159.8	167.9	0	0	0	112.2	S232 D233 E237 P314 F406 L408	S232-I235 WeakPolarHBondContact O-CG2 3.36Å; S232-I235 PolarHBondContact O-N 2.92Å; D233-I235 VanDerWaalsContact C-N 3.29Å; D233-I235 PolarHBondContact O-N 3.11Å; I235-E237 VanDerWaalsContact C-N 3.3Å; I235-E237 PolarHBondContact O-N 3.48Å; I235-P314 HydrophobicContact CG2-CB 4.32Å; I235-F406 HydrophobicContact CD1-CB 3.77Å; I235-F406 WeakPolarHBondContact CD1-O 3.38Å; I235-L408 HydrophobicContact CD1-CD2 4.17Å; I235-L408 HydrophobicContact CD1-CG 3.78Å; I235-L408 HydrophobicContact CG1-CG 4.35Å; I235-L408 HydrophobicContact CG2-CD2 3.98Å; I235-L408 HydrophobicContact CG2-CG 4.48Å
236	F	90.4	Very high	88.3	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-85.3	-0.9	-179.9	-63.2	-82.3	0	0	0	113.4	L197 Y198 L200 P201 D233 S234 Q238 F239 L240 P314 L408	L197-F236 HydrophobicContact CD1-CB 3.77Å; L197-F236 HydrophobicContact CD1-CD1 3.89Å; L197-F236 HydrophobicContact CD1-CD2 3.73Å; L197-F236 HydrophobicContact CD1-CE1 4.43Å; L197-F236 HydrophobicContact CD1-CE2 4.31Å; L197-F236 HydrophobicContact CD1-CG 3.51Å; L197-F236 HydrophobicContact CD2-CD2 3.78Å; L197-F236 HydrophobicContact CD2-CE2 3.78Å; L197-F236 HydrophobicContact CD2-CG 4.42Å; L197-F236 HydrophobicContact CD2-CZ 4.42Å; L197-F236 HydrophobicContact CG-CD1 4.16Å; L197-F236 HydrophobicContact CG-CD2 3.8Å; L197-F236 HydrophobicContact CG-CE1 4.21Å; L197-F236 HydrophobicContact CG-CE2 3.86Å; L197-F236 HydrophobicContact CG-CG 3.96Å; L197-F236 HydrophobicContact CG-CZ 4.08Å; L197-F236 WeakPolarHBondContact O-CE1 3.23Å; Y198-F236 HydrophobicContact CD1-CE2 4.46Å; Y198-F236 AromaticContact CD1-CZ 3.9Å; Y198-F236 HydrophobicContact CD1-CZ 3.9Å; Y198-F236 HydrophobicContact CE1-CE2 4.46Å; Y198-F236 HydrophobicContact CE1-CZ 4.32Å; L200-F236 HydrophobicContact CD1-CD1 4.38Å; P201-F236 HydrophobicContact CG-CE1 4.35Å; D233-F236 PolarHBondContact O-N 3.28Å; S234-F236 PolarHBondContact O-N 3.09Å; F236-Q238 PolarHBondContact O-N 3.32Å; F236-Q238 VanDerWaalsContact O-N 3.13Å; F236-F239 HydrophobicContact CD1-CD2 4.25Å; F236-F239 HydrophobicContact CD1-CE2 4.47Å; F236-F239 PolarHBondContact O-N 3.41Å; F236-L240 HydrophobicContact CB-CD1 4.1Å; F236-L240 WeakPolarHBondContact O-CG 3.46Å; F236-L240 PolarHBondContact O-N 3.36Å; F236-P314 HydrophobicContact CE2-CG 4.43Å; F236-L408 HydrophobicContact CE1-CD2 4.11Å; F236-L408 HydrophobicContact CE2-CD2 4.46Å; F236-L408 HydrophobicContact CZ-CD2 3.76Å
237	E	90.1	Very high	89.2	Confident	65 Å²	65	37.2 Å²	37.2	30%	0.304	20%	0.196	S	C	.	.	H	α-helix	trans	-52.7	-38	-179.7	177.1	-178	-159.3	0	0	112.6	P175 K216 S234 I235 F239 L240 T241	P175-E237 HydrophobicContact CB-CB 4.08Å; P175-E237 HydrophobicContact CB-CG 3.91Å; P175-E237 HydrophobicContact CG-CB 4.39Å; P175-E237 HydrophobicContact CG-CG 3.86Å; K216-E237 WeakPolarHBondContact CD-OE2 3.29Å; K216-E237 IonicContact NZ-OE2 3.17Å; K216-E237 PolarHBondContact NZ-OE2 3.08Å; S234-E237 VanDerWaalsContact O-CB 3.25Å; S234-E237 WeakPolarHBondContact O-CB 3.25Å; S234-E237 PolarHBondContact O-N 3.23Å; S234-E237 VanDerWaalsContact O-N 3.12Å; I235-E237 VanDerWaalsContact C-N 3.3Å; I235-E237 PolarHBondContact O-N 3.48Å; E237-F239 PolarHBondContact O-N 3.3Å; E237-L240 CarbonylContact O-C 3.49Å; E237-L240 PolarHBondContact O-N 3.45Å; E237-T241 PolarHBondContact O-N 3.46Å
238	Q	88.1	Confident	89.7	Confident	56 Å²	56	45.1 Å²	45.1	26%	0.262	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-20.3	-179.8	69.3	-177.6	16.1	0	0	114	F236 I245	F236-Q238 PolarHBondContact O-N 3.32Å; F236-Q238 VanDerWaalsContact O-N 3.13Å; Q238-I245 WeakPolarHBondContact O-CG2 3.38Å
239	F	92.5	Very high	90.3	Very high	10 Å²	10	42.1 Å²	42.1	4%	0.044	21%	0.21	C	C	.	.	H	α-helix	trans	-100.3	-13.4	176	-53.4	-75.4	0	0	0	112.7	L200 P201 D204 F236 E237 C246	L200-F239 HydrophobicContact CB-CB 4.29Å; L200-F239 HydrophobicContact CB-CD2 4.25Å; L200-F239 HydrophobicContact CB-CG 4.16Å; L200-F239 HydrophobicContact CD1-CB 4.03Å; P201-F239 HydrophobicContact CB-CZ 4.06Å; P201-F239 HydrophobicContact CG-CE2 4.05Å; P201-F239 HydrophobicContact CG-CZ 4.05Å; D204-F239 HydrophobicContact CB-CE1 4.15Å; F236-F239 HydrophobicContact CD1-CD2 4.25Å; F236-F239 HydrophobicContact CD1-CE2 4.47Å; F236-F239 PolarHBondContact O-N 3.41Å; E237-F239 PolarHBondContact O-N 3.3Å; F239-C246 WeakPolarHBondContact O-CA 3.08Å
240	L	94.4	Very high	90.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-117	-4.9	-169.9	-61.2	176.3	0	0	0	113.1	P175 R178 A179 L182 L197 L200 F236 E237 C246	P175-L240 HydrophobicContact CB-CB 4.27Å; R178-L240 HydrophobicContact CB-CB 4.43Å; R178-L240 HydrophobicContact CB-CD1 4Å; R178-L240 HydrophobicContact CB-CD2 4.44Å; R178-L240 PolarHBondContact NH1-O 3Å; A179-L240 HydrophobicContact CB-CD1 3.7Å; L182-L240 HydrophobicContact CD1-CD1 4.2Å; L182-L240 HydrophobicContact CD1-CD2 3.57Å; L197-L240 HydrophobicContact CD1-CD1 4.36Å; L200-L240 HydrophobicContact CD1-CD1 4.36Å; L200-L240 HydrophobicContact CD1-CD2 3.85Å; L200-L240 HydrophobicContact CD1-CG 4.12Å; F236-L240 HydrophobicContact CB-CD1 4.1Å; F236-L240 WeakPolarHBondContact O-CG 3.46Å; F236-L240 PolarHBondContact O-N 3.36Å; E237-L240 CarbonylContact O-C 3.49Å; E237-L240 PolarHBondContact O-N 3.45Å; L240-C246 WeakPolarHBondContact O-CB 3.12Å
241	T	90.3	Very high	91.6	Very high	49 Å²	49	42.5 Å²	42.5	30%	0.301	22%	0.215	S	C	.	.	S	Bend	trans	-140.2	139.2	179.3	-62.7	0	0	0	0	110	P175 E237	P175-T241 WeakPolarHBondContact CB-OG1 3.24Å; P175-T241 WeakPolarHBondContact CG-OG1 3.44Å; E237-T241 PolarHBondContact O-N 3.46Å
242	P	93.6	Very high	92.3	Very high	63 Å²	63	41.7 Å²	41.7	41%	0.409	21%	0.21	S	C	.	.	S	Bend	cis	-68.4	178.8	-11.9	30.1	-39.2	0	0	0	113.2	H244 I245 C246	P242-H244 VanDerWaalsContact C-N 3.3Å; P242-H244 WeakPolarHBondContact CG-CE1 3.39Å; P242-H244 PolarHBondContact O-N 3.02Å; P242-I245 HydrophobicContact CG-CG1 4Å; P242-I245 WeakPolarHBondContact O-CA 3.25Å; P242-I245 WeakPolarHBondContact O-CB 3.49Å; P242-I245 PolarHBondContact O-N 2.99Å; P242-C246 PolarHBondContact O-N 2.94Å; P242-C246 VanDerWaalsContact O-N 3.09Å
243	V	94.6	Very high	92.9	Very high	47 Å²	47	41 Å²	41	29%	0.285	21%	0.206	S	C	.	.	H	α-helix	trans	-50.9	-43.4	-175.2	178.1	0	0	0	0	113.4	C169 H170 I245 C246 E247	C169-V243 HydrophobicContact CB-CG1 4.08Å; C169-V243 WeakPolarHBondContact O-CG1 3.1Å; C169-V243 WeakPolarHBondContact O-CG2 3.37Å; H170-V243 VanDerWaalsContact CE1-CG1 3.46Å; H170-V243 WeakPolarHBondContact CE1-CG1 3.46Å; V243-I245 VanDerWaalsContact C-N 3.28Å; V243-I245 PolarHBondContact O-N 3.45Å; V243-C246 VanDerWaalsContact O-CB 3.28Å; V243-C246 WeakPolarHBondContact O-CB 3.23Å; V243-C246 PolarHBondContact O-N 3.34Å; V243-C246 VanDerWaalsContact O-N 3.15Å; V243-E247 PolarHBondContact O-N 3.5Å
244	H	94.9	Very high	93.3	Very high	118 Å²	118	42.9 Å²	42.9	55%	0.546	21%	0.214	S	C	.	.	H	α-helix	trans	-67.1	-27.2	179	65.6	-99.4	0	0	0	113.5	P242 R248	P242-H244 VanDerWaalsContact C-N 3.3Å; P242-H244 WeakPolarHBondContact CG-CE1 3.39Å; P242-H244 PolarHBondContact O-N 3.02Å; H244-R248 VanDerWaalsContact O-CB 3.23Å; H244-R248 WeakPolarHBondContact O-CB 3.37Å; H244-R248 PolarHBondContact O-N 3.47Å; H244-R248 VanDerWaalsContact O-N 3.15Å
245	I	94.5	Very high	93.8	Very high	49 Å²	49	48.8 Å²	48.8	25%	0.251	24%	0.239	S	C	.	.	H	α-helix	trans	-73.4	-42.9	172.2	-62.3	-59.4	0	0	0	109.5	Q238 P242 V243 E247 R248 S249	Q238-I245 WeakPolarHBondContact O-CG2 3.38Å; P242-I245 HydrophobicContact CG-CG1 4Å; P242-I245 WeakPolarHBondContact O-CA 3.25Å; P242-I245 WeakPolarHBondContact O-CB 3.49Å; P242-I245 PolarHBondContact O-N 2.99Å; V243-I245 VanDerWaalsContact C-N 3.28Å; V243-I245 PolarHBondContact O-N 3.45Å; I245-E247 PolarHBondContact O-N 2.76Å; I245-R248 PolarHBondContact O-N 2.85Å; I245-S249 VanDerWaalsContact O-CB 3.3Å; I245-S249 WeakPolarHBondContact O-CB 3.48Å; I245-S249 PolarHBondContact O-N 2.87Å; I245-S249 PolarHBondContact O-OG 3.17Å
246	C	96.7	Very high	94.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-53.2	-52.1	173.6	178	0	0	0	0	112.1	C169 F239 L240 P242 V243 S249 L250	C169-C246 VanDerWaalsContact CA-SG 3.51Å; C169-C246 HydrophobicContact CB-CB 3.76Å; C169-C246 WeakPolarHBondContact CB-SG 3.42Å; C169-C246 WeakPolarHBondContact SG-CB 3.45Å; C169-C246 CovalentContact SG-SG 2.05Å; C169-C246 PolarHBondContact SG-SG 2.85Å; F239-C246 WeakPolarHBondContact O-CA 3.08Å; L240-C246 WeakPolarHBondContact O-CB 3.12Å; P242-C246 PolarHBondContact O-N 2.94Å; P242-C246 VanDerWaalsContact O-N 3.09Å; V243-C246 VanDerWaalsContact O-CB 3.28Å; V243-C246 WeakPolarHBondContact O-CB 3.23Å; V243-C246 PolarHBondContact O-N 3.34Å; V243-C246 VanDerWaalsContact O-N 3.15Å; C246-S249 PolarHBondContact O-N 3.02Å; C246-L250 WeakPolarHBondContact O-CG 3.36Å; C246-L250 PolarHBondContact O-N 3.27Å
247	E	97	Very high	94.4	Very high	61 Å²	61	50.7 Å²	50.7	29%	0.285	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-48	179.3	-68.1	-180	147.9	0	0	111.5	V165 C169 H170 V243 I245 S249 L250 L251	V165-E247 HydrophobicContact CG1-CB 4.33Å; V165-E247 HydrophobicContact CG1-CG 4.18Å; C169-E247 HydrophobicContact CB-CG 3.85Å; C169-E247 PolarHBondContact SG-N 3.13Å; C169-E247 VanDerWaalsContact SG-N 3.38Å; H170-E247 IonicContact CD2-OE1 3.9Å; H170-E247 PolarHBondContact CD2-OE1 2.97Å; H170-E247 IonicContact CE1-OE1 2.91Å; H170-E247 IonicContact NE2-OE1 3.47Å; H170-E247 PolarHBondContact NE2-OE1 3.48Å; V243-E247 PolarHBondContact O-N 3.5Å; I245-E247 PolarHBondContact O-N 2.76Å; E247-S249 PolarHBondContact O-N 2.91Å; E247-L250 PolarHBondContact O-N 3.13Å; E247-L251 WeakPolarHBondContact O-CB 3.46Å; E247-L251 VanDerWaalsContact O-CG 3.29Å; E247-L251 WeakPolarHBondContact O-CG 3.2Å; E247-L251 PolarHBondContact O-N 3.46Å
248	R	95.7	Very high	94.7	Very high	187 Å²	187	49.4 Å²	49.4	71%	0.706	24%	0.244	S	C	*	.	H	α-helix	trans	-61	-44.4	179.9	-177.9	177.8	179.5	165.6	0.7	111.6	H244 I245 S252	H244-R248 VanDerWaalsContact O-CB 3.23Å; H244-R248 WeakPolarHBondContact O-CB 3.37Å; H244-R248 PolarHBondContact O-N 3.47Å; H244-R248 VanDerWaalsContact O-N 3.15Å; I245-R248 PolarHBondContact O-N 2.85Å; R248-S252 WeakPolarHBondContact O-CB 3.38Å; R248-S252 PolarHBondContact O-N 3.49Å
249	S	95.7	Very high	95	Very high	11 Å²	11	52 Å²	52	8%	0.077	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-47.7	178.7	-74.9	0	0	0	0	111	T203 I245 C246 E247 S252 L253	T203-S249 VanDerWaalsContact CG2-O 3.3Å; T203-S249 WeakPolarHBondContact CG2-O 3.49Å; I245-S249 VanDerWaalsContact O-CB 3.3Å; I245-S249 WeakPolarHBondContact O-CB 3.48Å; I245-S249 PolarHBondContact O-N 2.87Å; I245-S249 PolarHBondContact O-OG 3.17Å; C246-S249 PolarHBondContact O-N 3.02Å; E247-S249 PolarHBondContact O-N 2.91Å; S249-S252 PolarHBondContact O-N 3.49Å; S249-L253 VanDerWaalsContact O-CB 3.28Å; S249-L253 WeakPolarHBondContact O-CB 3.44Å; S249-L253 PolarHBondContact O-N 3.42Å
250	L	97.2	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-44.1	179.9	-67.6	176.1	0	0	0	112.8	V165 I168 L182 L196 L200 C246 E247 L253 K254	V165-L250 HydrophobicContact CG1-CB 4.34Å; V165-L250 HydrophobicContact CG1-CD1 4.32Å; V165-L250 HydrophobicContact CG2-CB 3.94Å; V165-L250 HydrophobicContact CG2-CD1 4.26Å; I168-L250 HydrophobicContact CB-CD1 4.43Å; I168-L250 HydrophobicContact CD1-CD1 4.42Å; I168-L250 HydrophobicContact CG2-CD1 4.06Å; L182-L250 HydrophobicContact CD1-CD2 4.08Å; L182-L250 HydrophobicContact CD2-CD1 4.47Å; L182-L250 HydrophobicContact CD2-CD2 3.7Å; L196-L250 HydrophobicContact CD2-CD2 3.96Å; L200-L250 HydrophobicContact CD2-CD2 3.78Å; C246-L250 WeakPolarHBondContact O-CG 3.36Å; C246-L250 PolarHBondContact O-N 3.27Å; E247-L250 PolarHBondContact O-N 3.13Å; L250-L253 PolarHBondContact O-N 2.65Å; L250-K254 PolarHBondContact O-N 3.15Å
251	L	95.8	Very high	95.1	Very high	85 Å²	85	54.6 Å²	54.6	45%	0.445	27%	0.274	S	S	.	.	H	α-helix	trans	-69	-38.9	178.2	-66.9	173.8	0	0	0	112.3	V165 E247 K254 K255	V165-L251 HydrophobicContact CG1-CG 4.4Å; V165-L251 HydrophobicContact CG2-CD2 4.25Å; E247-L251 WeakPolarHBondContact O-CB 3.46Å; E247-L251 VanDerWaalsContact O-CG 3.29Å; E247-L251 WeakPolarHBondContact O-CG 3.2Å; E247-L251 PolarHBondContact O-N 3.46Å; L251-K254 PolarHBondContact O-N 3.09Å; L251-K255 WeakPolarHBondContact O-CB 3.42Å; L251-K255 PolarHBondContact O-N 3.22Å
252	S	95.2	Very high	95.4	Very high	45 Å²	45	56.1 Å²	56.1	32%	0.315	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-40.9	175.8	-171.8	0	0	0	0	111.2	R248 S249 K255 I256	R248-S252 WeakPolarHBondContact O-CB 3.38Å; R248-S252 PolarHBondContact O-N 3.49Å; S249-S252 PolarHBondContact O-N 3.49Å; S252-K255 PolarHBondContact O-N 2.87Å; S252-I256 WeakPolarHBondContact O-CD1 3.32Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.48Å; S252-I256 PolarHBondContact O-N 3.32Å
253	L	95.8	Very high	95.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-47.6	176.8	180	60	0	0	0	110.8	L196 L199 L200 T203 S249 L250 K255 I256 M257	L196-L253 HydrophobicContact CD1-CD2 3.54Å; L196-L253 HydrophobicContact CD1-CG 4.29Å; L196-L253 HydrophobicContact CG-CD2 3.85Å; L199-L253 HydrophobicContact CB-CD1 4.15Å; L199-L253 HydrophobicContact CB-CD2 3.93Å; L199-L253 WeakPolarHBondContact O-CD1 3.38Å; L200-L253 HydrophobicContact CD2-CD2 4.08Å; T203-L253 HydrophobicContact CG2-CB 3.68Å; T203-L253 HydrophobicContact CG2-CD1 4.49Å; S249-L253 VanDerWaalsContact O-CB 3.28Å; S249-L253 WeakPolarHBondContact O-CB 3.44Å; S249-L253 PolarHBondContact O-N 3.42Å; L250-L253 PolarHBondContact O-N 2.65Å; L253-K255 VanDerWaalsContact C-N 3.29Å; L253-K255 PolarHBondContact O-N 3.32Å; L253-I256 PolarHBondContact O-N 2.89Å; L253-M257 HydrophobicContact CD1-CG 4.17Å; L253-M257 HydrophobicContact CD1-SD 4.05Å; L253-M257 HydrophobicContact CG-SD 4.05Å; L253-M257 WeakPolarHBondContact O-CG 2.99Å; L253-M257 PolarHBondContact O-N 2.82Å
254	K	95.8	Very high	95.3	Very high	40 Å²	40	59 Å²	59	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-53	-49.9	174.9	-178.6	152.6	179.2	47.6	0	111.3	L160 D189 L250 L251 I256 M257 D258	L160-K254 HydrophobicContact CD2-CB 3.89Å; L160-K254 HydrophobicContact CD2-CD 4.29Å; D189-K254 IonicContact OD1-NZ 3.31Å; D189-K254 PolarHBondContact OD1-NZ 3.4Å; D189-K254 IonicContact OD2-NZ 2.68Å; D189-K254 PolarHBondContact OD2-NZ 2.85Å; L250-K254 PolarHBondContact O-N 3.15Å; L251-K254 PolarHBondContact O-N 3.09Å; K254-I256 PolarHBondContact O-N 3.19Å; K254-M257 PolarHBondContact O-N 3.02Å; K254-D258 WeakPolarHBondContact CE-OD2 3.47Å; K254-D258 VanDerWaalsContact CG-OD2 3.24Å; K254-D258 WeakPolarHBondContact CG-OD2 3Å; K254-D258 IonicContact NZ-OD1 3.86Å; K254-D258 PolarHBondContact NZ-OD1 3.45Å; K254-D258 IonicContact NZ-OD2 3.42Å; K254-D258 PolarHBondContact NZ-OD2 2.99Å; K254-D258 WeakPolarHBondContact O-CB 3.5Å; K254-D258 PolarHBondContact O-N 3.35Å
255	K	95.3	Very high	95.3	Very high	130 Å²	130	53.6 Å²	53.6	57%	0.565	27%	0.271	S	S	*	.	H	α-helix	trans	-60.3	-46.5	179.7	-176.2	178.7	177.7	-177.5	0	112.7	L251 S252 L253 M257 D258 D259	L251-K255 WeakPolarHBondContact O-CB 3.42Å; L251-K255 PolarHBondContact O-N 3.22Å; S252-K255 PolarHBondContact O-N 2.87Å; L253-K255 VanDerWaalsContact C-N 3.29Å; L253-K255 PolarHBondContact O-N 3.32Å; K255-M257 VanDerWaalsContact C-N 3.28Å; K255-M257 PolarHBondContact O-N 3.25Å; K255-D258 PolarHBondContact O-N 3.35Å; K255-D259 WeakPolarHBondContact CE-OD2 3.32Å; K255-D259 WeakPolarHBondContact CG-OD2 3.46Å; K255-D259 VanDerWaalsContact O-CB 3.28Å; K255-D259 WeakPolarHBondContact O-CB 3.16Å; K255-D259 PolarHBondContact O-N 3.45Å
256	I	94.9	Very high	95.3	Very high	48 Å²	48	52.8 Å²	52.8	25%	0.246	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-44.2	178.2	-70.6	163.4	0	0	0	110.5	S252 L253 K254 N260 F309	S252-I256 WeakPolarHBondContact O-CD1 3.32Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.48Å; S252-I256 PolarHBondContact O-N 3.32Å; L253-I256 PolarHBondContact O-N 2.89Å; K254-I256 PolarHBondContact O-N 3.19Å; I256-N260 WeakPolarHBondContact O-CB 3.44Å; I256-N260 PolarHBondContact O-N 3.45Å; I256-N260 VanDerWaalsContact O-N 3.15Å; I256-N260 PolarHBondContact O-OD1 3.12Å; I256-F309 HydrophobicContact CG2-CE1 4.11Å; I256-F309 HydrophobicContact CG2-CZ 4.4Å
257	M	95.4	Very high	95.1	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-68.9	-46.2	179.5	-66.5	-178.1	74.5	0	0	111.9	H188 C191 L196 L199 L253 K254 K255 D259 N260 L261 F309	H188-M257 HydrophobicContact CB-CE 3.54Å; H188-M257 HydrophobicContact CB-SD 3.95Å; H188-M257 WeakPolarHBondContact NE2-CB 3.46Å; C191-M257 HydrophobicContact CB-CE 3.68Å; C191-M257 VanDerWaalsContact SG-CE 3.53Å; L196-M257 HydrophobicContact CD1-SD 4.33Å; L199-M257 HydrophobicContact CD1-CE 3.76Å; L199-M257 HydrophobicContact CD1-SD 3.97Å; L253-M257 HydrophobicContact CD1-CG 4.17Å; L253-M257 HydrophobicContact CD1-SD 4.05Å; L253-M257 HydrophobicContact CG-SD 4.05Å; L253-M257 WeakPolarHBondContact O-CG 2.99Å; L253-M257 PolarHBondContact O-N 2.82Å; K254-M257 PolarHBondContact O-N 3.02Å; K255-M257 VanDerWaalsContact C-N 3.28Å; K255-M257 PolarHBondContact O-N 3.25Å; M257-D259 PolarHBondContact O-N 2.94Å; M257-N260 PolarHBondContact O-N 3.24Å; M257-L261 HydrophobicContact CB-CD1 4.19Å; M257-L261 HydrophobicContact CE-CD1 4.39Å; M257-L261 WeakPolarHBondContact O-CB 3.46Å; M257-L261 WeakPolarHBondContact O-CD1 3.47Å; M257-L261 WeakPolarHBondContact O-CG 3.3Å; M257-L261 PolarHBondContact O-N 3.19Å; M257-F309 HydrophobicContact CB-CE2 4.49Å; M257-F309 HydrophobicContact CB-CZ 4.32Å; M257-F309 HydrophobicContact CE-CD2 4.39Å; M257-F309 HydrophobicContact CG-CE1 4.09Å; M257-F309 HydrophobicContact CG-CE2 4.08Å; M257-F309 HydrophobicContact CG-CZ 3.79Å
258	D	95.6	Very high	94.9	Very high	39 Å²	39	55.7 Å²	55.7	21%	0.209	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-45.3	177.3	-73.8	-27.3	0	0	0	111.5	H188 K254 K255 N260 T262	H188-D258 IonicContact CE1-OD1 3.51Å; H188-D258 PolarHBondContact CE1-OD1 3.47Å; H188-D258 IonicContact NE2-OD1 3.97Å; H188-D258 PolarHBondContact NE2-OD1 3.48Å; K254-D258 WeakPolarHBondContact CE-OD2 3.47Å; K254-D258 VanDerWaalsContact CG-OD2 3.24Å; K254-D258 WeakPolarHBondContact CG-OD2 3Å; K254-D258 IonicContact NZ-OD1 3.86Å; K254-D258 PolarHBondContact NZ-OD1 3.45Å; K254-D258 IonicContact NZ-OD2 3.42Å; K254-D258 PolarHBondContact NZ-OD2 2.99Å; K254-D258 WeakPolarHBondContact O-CB 3.5Å; K254-D258 PolarHBondContact O-N 3.35Å; K255-D258 PolarHBondContact O-N 3.35Å; D258-N260 PolarHBondContact O-N 3.37Å; D258-T262 VanDerWaalsContact O-CB 3.24Å; D258-T262 WeakPolarHBondContact O-CB 3.37Å; D258-T262 PolarHBondContact O-N 3.42Å; D258-T262 VanDerWaalsContact O-N 3.12Å; D258-T262 PolarHBondContact O-OG1 3.05Å
259	D	94.8	Very high	94.6	Very high	111 Å²	111	48.8 Å²	48.8	59%	0.594	27%	0.268	S	S	*	.	H	α-helix	trans	-63.7	-39.7	-179.5	-73.3	-15.2	0	0	0	111.7	K255 M257	K255-D259 WeakPolarHBondContact CE-OD2 3.32Å; K255-D259 WeakPolarHBondContact CG-OD2 3.46Å; K255-D259 VanDerWaalsContact O-CB 3.28Å; K255-D259 WeakPolarHBondContact O-CB 3.16Å; K255-D259 PolarHBondContact O-N 3.45Å; M257-D259 PolarHBondContact O-N 2.94Å
260	N	93.2	Very high	94.4	Very high	64 Å²	64	52.5 Å²	52.5	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-79	-34.8	-179.4	-76	17.2	0	0	0	113.2	I256 M257 D258 H264 E308 F309	I256-N260 WeakPolarHBondContact O-CB 3.44Å; I256-N260 PolarHBondContact O-N 3.45Å; I256-N260 VanDerWaalsContact O-N 3.15Å; I256-N260 PolarHBondContact O-OD1 3.12Å; M257-N260 PolarHBondContact O-N 3.24Å; D258-N260 PolarHBondContact O-N 3.37Å; N260-H264 PolarHBondContact O-CD2 3.41Å; N260-E308 PolarHBondContact ND2-OE1 3.32Å; N260-F309 HydrophobicContact CB-CZ 4.24Å
261	L	96.2	Very high	93.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-98.5	-36.3	-166.1	-61.8	171.5	0	0	0	113.9	L190 C191 M257 S263 H264 F265 F304 E308 F309	L190-L261 HydrophobicContact CB-CD1 4.11Å; L190-L261 HydrophobicContact CD1-CB 3.81Å; L190-L261 HydrophobicContact CD1-CD1 4.43Å; C191-L261 WeakPolarHBondContact SG-CD1 3.24Å; M257-L261 HydrophobicContact CB-CD1 4.19Å; M257-L261 HydrophobicContact CE-CD1 4.39Å; M257-L261 WeakPolarHBondContact O-CB 3.46Å; M257-L261 WeakPolarHBondContact O-CD1 3.47Å; M257-L261 WeakPolarHBondContact O-CG 3.3Å; M257-L261 PolarHBondContact O-N 3.19Å; L261-S263 PolarHBondContact O-N 2.71Å; L261-H264 PolarHBondContact O-N 3.15Å; L261-H264 VanDerWaalsContact O-N 3.15Å; L261-F265 HydrophobicContact CB-CD2 4.08Å; L261-F265 HydrophobicContact CB-CE2 3.89Å; L261-F265 HydrophobicContact CB-CZ 4.47Å; L261-F265 HydrophobicContact CD1-CE2 4.32Å; L261-F265 HydrophobicContact CD2-CE2 4.28Å; L261-F265 HydrophobicContact CD2-CZ 4.08Å; L261-F265 HydrophobicContact CG-CE2 4.4Å; L261-F265 PolarHBondContact O-N 2.78Å; L261-F304 HydrophobicContact CD2-CD1 3.69Å; L261-F304 HydrophobicContact CD2-CE1 3.67Å; L261-E308 HydrophobicContact CD2-CG 4.43Å; L261-F309 HydrophobicContact CD1-CE2 3.95Å; L261-F309 HydrophobicContact CD2-CE2 3.98Å; L261-F309 HydrophobicContact CG-CE2 3.97Å
262	T	94.9	Very high	93.5	Very high	81 Å²	81	52.8 Å²	52.8	50%	0.497	29%	0.288	S	S	.	.	H	α-helix	trans	-58.3	-45.8	-167.6	-58.5	0	0	0	0	112.5	D258 G266	D258-T262 VanDerWaalsContact O-CB 3.24Å; D258-T262 WeakPolarHBondContact O-CB 3.37Å; D258-T262 PolarHBondContact O-N 3.42Å; D258-T262 VanDerWaalsContact O-N 3.12Å; D258-T262 PolarHBondContact O-OG1 3.05Å; T262-G266 PolarHBondContact O-N 2.88Å
263	S	93.2	Very high	93	Very high	79 Å²	79	56.5 Å²	56.5	55%	0.552	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-44.9	179.2	-175.9	0	0	0	0	111.8	L261 G266 I267	L261-S263 PolarHBondContact O-N 2.71Å; S263-G266 PolarHBondContact O-N 3.38Å; S263-I267 WeakPolarHBondContact O-CG1 3.32Å; S263-I267 PolarHBondContact O-N 3.28Å
264	H	93.6	Very high	92.4	Very high	92 Å²	92	64.6 Å²	64.6	43%	0.426	34%	0.336	S	S	.	.	H	α-helix	trans	-64.5	-42.3	-179.7	-81.9	-85	0	0	0	112.3	N260 L261 I267 F268 F304	N260-H264 PolarHBondContact O-CD2 3.41Å; L261-H264 PolarHBondContact O-N 3.15Å; L261-H264 VanDerWaalsContact O-N 3.15Å; H264-I267 PolarHBondContact O-N 2.87Å; H264-F268 PolarHBondContact O-N 2.94Å; H264-F304 HydrophobicContact CB-CE1 3.71Å; H264-F304 HydrophobicContact CB-CZ 3.93Å; H264-F304 AromaticContact CG-CE1 3.96Å; H264-F304 AromaticContact CG-CZ 3.69Å; H264-F304 AromaticContact ND1-CZ 3.84Å
265	F	95.3	Very high	91.5	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.018	34%	0.336	C	S	.	.	H	α-helix	trans	-68.6	-37	176.5	-67.3	-20.6	0	0	0	112.4	L190 L261 F268 D269 Y300 R301 F304	L190-F265 HydrophobicContact CB-CD2 4.25Å; L190-F265 HydrophobicContact CB-CE2 3.96Å; L190-F265 HydrophobicContact CD1-CD2 4.49Å; L190-F265 HydrophobicContact CD2-CD2 4.38Å; L261-F265 HydrophobicContact CB-CD2 4.08Å; L261-F265 HydrophobicContact CB-CE2 3.89Å; L261-F265 HydrophobicContact CB-CZ 4.47Å; L261-F265 HydrophobicContact CD1-CE2 4.32Å; L261-F265 HydrophobicContact CD2-CE2 4.28Å; L261-F265 HydrophobicContact CD2-CZ 4.08Å; L261-F265 HydrophobicContact CG-CE2 4.4Å; L261-F265 PolarHBondContact O-N 2.78Å; F265-F268 PolarHBondContact O-N 2.9Å; F265-D269 WeakPolarHBondContact O-CB 3.13Å; F265-D269 PolarHBondContact O-N 3.49Å; F265-Y300 HydrophobicContact CD1-CD1 4.48Å; F265-Y300 HydrophobicContact CD1-CE1 4.23Å; F265-Y300 HydrophobicContact CE1-CD1 4.41Å; F265-Y300 HydrophobicContact CE1-CE1 4.28Å; F265-R301 HydrophobicContact CD1-CG 3.9Å; F265-R301 HydrophobicContact CD2-CG 4.25Å; F265-R301 HydrophobicContact CE1-CB 4.11Å; F265-R301 HydrophobicContact CE1-CG 3.77Å; F265-R301 HydrophobicContact CE2-CB 4.37Å; F265-R301 HydrophobicContact CE2-CG 4.11Å; F265-R301 HydrophobicContact CG-CG 4.15Å; F265-R301 HydrophobicContact CZ-CB 3.92Å; F265-R301 HydrophobicContact CZ-CG 3.88Å; F265-F304 HydrophobicContact CD1-CD1 4.29Å; F265-F304 HydrophobicContact CE1-CB 3.93Å; F265-F304 AromaticContact CE1-CD1 3.46Å; F265-F304 HydrophobicContact CE1-CD1 3.46Å; F265-F304 VanDerWaalsContact CE1-CD1 3.46Å; F265-F304 HydrophobicContact CE1-CE1 4.37Å; F265-F304 HydrophobicContact CE1-CG 4.05Å; F265-F304 HydrophobicContact CZ-CB 4.42Å; F265-F304 AromaticContact CZ-CD1 3.89Å; F265-F304 HydrophobicContact CZ-CD1 3.89Å
266	G	93.2	Very high	90.2	Very high	32 Å²	32	67.4 Å²	67.4	33%	0.33	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-47.4	171.5	0	0	0	0	0	112.7	T262 S263 F268 D269 D270	T262-G266 PolarHBondContact O-N 2.88Å; S263-G266 PolarHBondContact O-N 3.38Å; G266-F268 VanDerWaalsContact C-N 3.33Å; G266-F268 PolarHBondContact O-N 3.45Å; G266-D269 PolarHBondContact O-N 2.9Å; G266-D270 WeakPolarHBondContact O-CB 3.26Å; G266-D270 PolarHBondContact O-N 3.17Å
267	I	92.5	Very high	89.1	Confident	107 Å²	107	65.8 Å²	65.8	55%	0.549	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-41.4	178.1	-66.7	164.2	0	0	0	111.6	S263 H264 L271	S263-I267 WeakPolarHBondContact O-CG1 3.32Å; S263-I267 PolarHBondContact O-N 3.28Å; H264-I267 PolarHBondContact O-N 2.87Å; I267-L271 WeakPolarHBondContact O-CB 3.39Å; I267-L271 PolarHBondContact O-N 3.1Å; I267-L271 VanDerWaalsContact O-N 3.09Å
268	F	92.6	Very high	87.7	Confident	14 Å²	14	67 Å²	67	6%	0.061	35%	0.352	C	S	.	.	H	α-helix	trans	-70.1	-40.8	179.7	-176.4	-106.4	0	0	0	112.4	H264 F265 G266 D270 L271 L272 Y300	H264-F268 PolarHBondContact O-N 2.94Å; F265-F268 PolarHBondContact O-N 2.9Å; G266-F268 VanDerWaalsContact C-N 3.33Å; G266-F268 PolarHBondContact O-N 3.45Å; F268-D270 VanDerWaalsContact C-N 3.34Å; F268-D270 PolarHBondContact O-N 3.36Å; F268-L271 WeakPolarHBondContact O-CB 3.26Å; F268-L271 PolarHBondContact O-N 2.86Å; F268-L271 VanDerWaalsContact O-N 3.15Å; F268-L272 HydrophobicContact CD1-CD1 3.88Å; F268-L272 HydrophobicContact CD1-CG 4.23Å; F268-L272 HydrophobicContact CE1-CD1 3.27Å; F268-L272 HydrophobicContact CE1-CD2 4.43Å; F268-L272 HydrophobicContact CE1-CG 3.78Å; F268-L272 HydrophobicContact CE2-CG 4.36Å; F268-L272 HydrophobicContact CZ-CD1 3.74Å; F268-L272 HydrophobicContact CZ-CD2 4.06Å; F268-L272 HydrophobicContact CZ-CG 3.85Å; F268-L272 PolarHBondContact O-N 3.35Å; F268-Y300 HydrophobicContact CB-CD1 4.15Å; F268-Y300 HydrophobicContact CB-CE1 3.69Å; F268-Y300 AromaticContact CD1-CD1 3.31Å; F268-Y300 HydrophobicContact CD1-CD1 3.31Å; F268-Y300 HydrophobicContact CD1-CD2 4.45Å; F268-Y300 AromaticContact CD1-CE1 3.79Å; F268-Y300 HydrophobicContact CD1-CE1 3.79Å; F268-Y300 AromaticContact CD1-CG 3.7Å; F268-Y300 HydrophobicContact CD1-CG 3.7Å; F268-Y300 AromaticContact CD2-CD1 3.93Å; F268-Y300 HydrophobicContact CD2-CD1 3.93Å; F268-Y300 AromaticContact CD2-CD2 3.91Å; F268-Y300 HydrophobicContact CD2-CD2 3.91Å; F268-Y300 AromaticContact CD2-CE1 3.8Å; F268-Y300 HydrophobicContact CD2-CE1 3.8Å; F268-Y300 AromaticContact CD2-CE2 3.77Å; F268-Y300 HydrophobicContact CD2-CE2 3.77Å; F268-Y300 AromaticContact CD2-CG 3.98Å; F268-Y300 HydrophobicContact CD2-CG 3.98Å; F268-Y300 AromaticContact CD2-CZ 3.71Å; F268-Y300 AromaticContact CE1-CD1 3.52Å; F268-Y300 HydrophobicContact CE1-CD1 3.52Å; F268-Y300 HydrophobicContact CE1-CD2 4.09Å; F268-Y300 HydrophobicContact CE1-CE1 4.33Å; F268-Y300 AromaticContact CE1-CG 3.37Å; F268-Y300 HydrophobicContact CE1-CG 3.37Å; F268-Y300 HydrophobicContact CE2-CD1 4.13Å; F268-Y300 AromaticContact CE2-CD2 3.53Å; F268-Y300 HydrophobicContact CE2-CD2 3.53Å; F268-Y300 HydrophobicContact CE2-CE1 4.36Å; F268-Y300 AromaticContact CE2-CE2 3.79Å; F268-Y300 HydrophobicContact CE2-CE2 3.79Å; F268-Y300 AromaticContact CE2-CG 3.71Å; F268-Y300 HydrophobicContact CE2-CG 3.71Å; F268-Y300 AromaticContact CG-CD1 3.51Å; F268-Y300 HydrophobicContact CG-CD1 3.51Å; F268-Y300 HydrophobicContact CG-CD2 4.35Å; F268-Y300 AromaticContact CG-CE1 3.46Å; F268-Y300 HydrophobicContact CG-CE1 3.46Å; F268-Y300 VanDerWaalsContact CG-CE1 3.46Å; F268-Y300 HydrophobicContact CG-CE2 4.31Å; F268-Y300 AromaticContact CG-CG 3.97Å; F268-Y300 HydrophobicContact CG-CG 3.97Å; F268-Y300 AromaticContact CG-CZ 3.88Å; F268-Y300 VanDerWaalsContact CZ-CB 3.47Å; F268-Y300 AromaticContact CZ-CD1 3.93Å; F268-Y300 HydrophobicContact CZ-CD1 3.93Å; F268-Y300 AromaticContact CZ-CD2 3.62Å; F268-Y300 HydrophobicContact CZ-CD2 3.62Å; F268-Y300 HydrophobicContact CZ-CE2 4.32Å; F268-Y300 AromaticContact CZ-CG 3.38Å; F268-Y300 HydrophobicContact CZ-CG 3.38Å
269	D	90.8	Very high	86.1	Confident	42 Å²	42	69.2 Å²	69.2	23%	0.225	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-42.4	175.6	-68.7	-18.8	0	0	0	110.9	F265 G266 L271 L272 E273 Q297 R301	F265-D269 WeakPolarHBondContact O-CB 3.13Å; F265-D269 PolarHBondContact O-N 3.49Å; G266-D269 PolarHBondContact O-N 2.9Å; D269-L271 VanDerWaalsContact C-N 3.27Å; D269-L271 PolarHBondContact O-N 2.75Å; D269-L272 PolarHBondContact O-N 2.99Å; D269-E273 WeakPolarHBondContact O-CB 3.48Å; D269-E273 PolarHBondContact O-N 2.66Å; D269-Q297 VanDerWaalsContact CG-NE2 3.31Å; D269-Q297 PolarHBondContact OD1-NE2 3.24Å; D269-Q297 PolarHBondContact OD2-NE2 2.68Å; D269-R301 IonicContact OD1-NE 3.09Å; D269-R301 IonicContact OD1-NH2 2.73Å; D269-R301 IonicContact OD2-CZ 2.71Å; D269-R301 IonicContact OD2-NH2 2.66Å; D269-R301 PolarHBondContact OD2-NH2 3.41Å
270	D	90.2	Very high	84.2	Confident	89 Å²	89	68.2 Å²	68.2	48%	0.476	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-33.3	173.8	-77.2	-9.8	0	0	0	112.8	G266 F268 K274	G266-D270 WeakPolarHBondContact O-CB 3.26Å; G266-D270 PolarHBondContact O-N 3.17Å; F268-D270 VanDerWaalsContact C-N 3.34Å; F268-D270 PolarHBondContact O-N 3.36Å; D270-K274 WeakPolarHBondContact O-CD 3.23Å; D270-K274 WeakPolarHBondContact O-CG 3.36Å
271	L	88.5	Confident	82.4	Confident	83 Å²	83	74.4 Å²	74.4	44%	0.435	38%	0.383	S	S	.	.	H	α-helix	trans	-73.1	-44.4	176.9	-176.4	66.1	0	0	0	110.9	I267 F268 D269 E273 K274 S275 L428	I267-L271 WeakPolarHBondContact O-CB 3.39Å; I267-L271 PolarHBondContact O-N 3.1Å; I267-L271 VanDerWaalsContact O-N 3.09Å; F268-L271 WeakPolarHBondContact O-CB 3.26Å; F268-L271 PolarHBondContact O-N 2.86Å; F268-L271 VanDerWaalsContact O-N 3.15Å; D269-L271 VanDerWaalsContact C-N 3.27Å; D269-L271 PolarHBondContact O-N 2.75Å; L271-E273 VanDerWaalsContact C-N 3.35Å; L271-K274 PolarHBondContact O-N 3.46Å; L271-S275 PolarHBondContact O-N 3.47Å; L271-L428 HydrophobicContact CD2-CD1 3.77Å; L271-L428 HydrophobicContact CG-CD1 4.31Å; L271-L428 HydrophobicContact CG-CD2 4.45Å
272	L	87.6	Confident	80.6	Confident	8 Å²	8	78.3 Å²	78.3	4%	0.042	40%	0.404	C	S	.	.	H	α-helix	trans	-64.3	-38.8	176.6	-76.5	-176.3	0	0	0	112.1	F268 D269 K274 S275 C277 Q297 P426	F268-L272 HydrophobicContact CD1-CD1 3.88Å; F268-L272 HydrophobicContact CD1-CG 4.23Å; F268-L272 HydrophobicContact CE1-CD1 3.27Å; F268-L272 HydrophobicContact CE1-CD2 4.43Å; F268-L272 HydrophobicContact CE1-CG 3.78Å; F268-L272 HydrophobicContact CE2-CG 4.36Å; F268-L272 HydrophobicContact CZ-CD1 3.74Å; F268-L272 HydrophobicContact CZ-CD2 4.06Å; F268-L272 HydrophobicContact CZ-CG 3.85Å; F268-L272 PolarHBondContact O-N 3.35Å; D269-L272 PolarHBondContact O-N 2.99Å; L272-K274 PolarHBondContact O-N 3.37Å; L272-S275 WeakPolarHBondContact O-CB 3.29Å; L272-S275 PolarHBondContact O-N 3.05Å; L272-S275 PolarHBondContact O-OG 3.46Å; L272-C277 PolarHBondContact O-SG 3.33Å; L272-C277 VanDerWaalsContact O-SG 3.36Å; L272-Q297 HydrophobicContact CD1-CB 4.14Å; L272-P426 HydrophobicContact CD2-CG 3.96Å
273	E	83.3	Confident	78.5	Confident	123 Å²	123	80.4 Å²	80.4	58%	0.575	42%	0.422	S	S	*	.	H	α-helix	trans	-62.1	-27	177.1	178.3	157.1	-130	0	0	113.2	D269 L271 K279	D269-E273 WeakPolarHBondContact O-CB 3.48Å; D269-E273 PolarHBondContact O-N 2.66Å; L271-E273 VanDerWaalsContact C-N 3.35Å; E273-K279 IonicContact OE1-NZ 2.68Å; E273-K279 PolarHBondContact OE1-NZ 3.22Å
274	K	82.7	Confident	76.6	Confident	171 Å²	171	86 Å²	86	74%	0.743	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.2	175.5	-65.7	167	-170.3	159.3	0	113.2	D270 L271 L272	D270-K274 WeakPolarHBondContact O-CD 3.23Å; D270-K274 WeakPolarHBondContact O-CG 3.36Å; L271-K274 PolarHBondContact O-N 3.46Å; L272-K274 PolarHBondContact O-N 3.37Å
275	S	77.5	Confident	74.5	Confident	24 Å²	24	86.9 Å²	86.9	17%	0.168	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	167.5	-178.5	80.1	0	0	0	0	112	L271 L272 C277	L271-S275 PolarHBondContact O-N 3.47Å; L272-S275 WeakPolarHBondContact O-CB 3.29Å; L272-S275 PolarHBondContact O-N 3.05Å; L272-S275 PolarHBondContact O-OG 3.46Å; S275-C277 PolarHBondContact O-N 2.91Å; S275-C277 PolarHBondContact OG-SG 2.92Å; S275-C277 VanDerWaalsContact OG-SG 3.39Å
276	F	68.2	Low	72.4	Confident	205 Å²	205	91.1 Å²	91.1	90%	0.899	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	22.1	178.2	-63.7	-80	0	0	0	114
277	C	72.1	Confident	70.1	Confident	14 Å²	14	93.6 Å²	93.6	10%	0.095	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-75.5	143.5	-179.2	72.4	0	0	0	0	111	L272 S275 C291 C293	L272-C277 PolarHBondContact O-SG 3.33Å; L272-C277 VanDerWaalsContact O-SG 3.36Å; S275-C277 PolarHBondContact O-N 2.91Å; S275-C277 PolarHBondContact OG-SG 2.92Å; S275-C277 VanDerWaalsContact OG-SG 3.39Å; C277-C291 CarbonylContact C-O 3.53Å; C277-C291 WeakPolarHBondContact CA-O 3.39Å; C277-C293 HydrophobicContact CB-CB 3.93Å; C277-C293 WeakPolarHBondContact CB-SG 3.23Å; C277-C293 PolarHBondContact O-SG 3.47Å; C277-C293 VanDerWaalsContact O-SG 3.34Å; C277-C293 WeakPolarHBondContact SG-CB 3.16Å; C277-C293 CovalentContact SG-SG 2.02Å; C277-C293 PolarHBondContact SG-SG 3.29Å
278	V	66.3	Low	67.9	Low	26 Å²	26	95.4 Å²	95.4	16%	0.158	49%	0.493	C	S	.	.	B	Isolated β-bridge	trans	-81	124.5	179.2	175.6	0	0	0	0	108.8	D282 E290 C291 C293	V278-D282 HydrophobicContact CG1-CB 3.85Å; V278-E290 HydrophobicContact CG2-CB 3.64Å; V278-E290 HydrophobicContact CG2-CG 4.01Å; V278-C291 PolarHBondContact N-O 2.01Å; V278-C293 VanDerWaalsContact C-SG 3.58Å; V278-C293 PolarHBondContact O-N 3.1Å; V278-C293 PolarHBondContact O-SG 3.35Å; V278-C293 VanDerWaalsContact O-SG 3.35Å
279	K	61.5	Low	66	Low	84 Å²	84	98.5 Å²	98.5	37%	0.365	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-79.9	149.8	173.6	-68.9	-178.3	177	-178.4	0	108.9	E273 F281 D282	E273-K279 IonicContact OE1-NZ 2.68Å; E273-K279 PolarHBondContact OE1-NZ 3.22Å; K279-F281 PolarHBondContact O-N 3.16Å; K279-D282 PolarHBondContact N-OD2 2.71Å; K279-D282 WeakPolarHBondContact O-CB 3.28Å; K279-D282 PolarHBondContact O-N 3.37Å
280	P	55.3	Low	64.3	Low	91 Å²	91	99.9 Å²	99.9	59%	0.591	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-19.5	-178.2	-24.5	32.3	0	0	0	115.2
281	F	55.3	Low	63.1	Low	193 Å²	193	97.6 Å²	97.6	85%	0.846	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	0.7	-177.9	-56.4	-72.9	0	0	0	113.8	K279 S283	K279-F281 PolarHBondContact O-N 3.16Å; F281-S283 PolarHBondContact O-N 3.41Å
282	D	57.9	Low	62.4	Low	83 Å²	83	97.4 Å²	97.4	44%	0.444	52%	0.521	S	S	.	.			trans	-68	121.8	176.6	-73.4	-31.7	0	0	0	109.3	V278 K279 R284	V278-D282 HydrophobicContact CG1-CB 3.85Å; K279-D282 PolarHBondContact N-OD2 2.71Å; K279-D282 WeakPolarHBondContact O-CB 3.28Å; K279-D282 PolarHBondContact O-N 3.37Å; D282-R284 PolarHBondContact O-N 2.93Å; D282-R284 VanDerWaalsContact O-N 3.13Å
283	S	50.8	Low	62.2	Low	125 Å²	125	97.7 Å²	97.7	87%	0.874	52%	0.524	S	S	*	.			trans	-72.6	0.3	-176.1	42.6	0	0	0	0	113.6	F281	F281-S283 PolarHBondContact O-N 3.41Å
284	R	54.4	Low	62.2	Low	196 Å²	196	96.4 Å²	96.4	74%	0.74	52%	0.518	S	S	*	.	S	Bend	trans	-89.7	127.7	177.9	-67.9	-174.2	-174.2	-177.9	3.4	109.4	D282 N286	D282-R284 PolarHBondContact O-N 2.93Å; D282-R284 VanDerWaalsContact O-N 3.13Å; R284-N286 PolarHBondContact O-N 2.82Å
285	P	48.4	Very low	62.3	Low	111 Å²	111	92.6 Å²	92.6	72%	0.721	50%	0.503	S	S	*	.			trans	-60.9	129.7	173	25.3	-31.3	0	0	0	108.8	V287	P285-V287 PolarHBondContact O-N 3.02Å
286	N	51.4	Low	62.9	Low	92 Å²	92	91.5 Å²	91.5	49%	0.492	50%	0.495	S	S	.	.			trans	-38.1	102.9	177.3	-137.6	20.3	0	0	0	110.1	R284 E290	R284-N286 PolarHBondContact O-N 2.82Å; N286-E290 WeakPolarHBondContact CA-OE2 3.49Å
287	V	45.3	Very low	63.9	Low	84 Å²	84	84.5 Å²	84.5	51%	0.509	47%	0.465	S	S	.	.			trans	-75	134.8	173.2	-171.4	0	0	0	0	106	P285 G289 E290	P285-V287 PolarHBondContact O-N 3.02Å; V287-G289 PolarHBondContact O-N 3.41Å; V287-E290 HydrophobicContact CB-CG 4.31Å; V287-E290 PolarHBondContact N-OE2 3.08Å; V287-E290 WeakPolarHBondContact O-CB 3.37Å; V287-E290 WeakPolarHBondContact O-CG 3.4Å; V287-E290 PolarHBondContact O-N 3.39Å
288	T	45.6	Very low	64.8	Low	146 Å²	146	87.2 Å²	87.2	90%	0.896	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.4	114.4	179.7	39.3	0	0	0	0	111.3
289	G	52.1	Low	65.9	Low	79 Å²	79	86.1 Å²	86.1	81%	0.814	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.7	-4.4	-178.6	0	0	0	0	0	115.5	V287	V287-G289 PolarHBondContact O-N 3.41Å
290	E	56.8	Low	67.4	Low	71 Å²	71	83.8 Å²	83.8	33%	0.332	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-79.4	121.8	177.8	-72.9	175.6	170.4	0	0	112.1	V278 N286 V287	V278-E290 HydrophobicContact CG2-CB 3.64Å; V278-E290 HydrophobicContact CG2-CG 4.01Å; N286-E290 WeakPolarHBondContact CA-OE2 3.49Å; V287-E290 HydrophobicContact CB-CG 4.31Å; V287-E290 PolarHBondContact N-OE2 3.08Å; V287-E290 WeakPolarHBondContact O-CB 3.37Å; V287-E290 WeakPolarHBondContact O-CG 3.4Å; V287-E290 PolarHBondContact O-N 3.39Å
291	C	64.4	Low	69.2	Low	40 Å²	40	82 Å²	82	27%	0.27	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-74.1	131.4	178.1	-62.1	0	0	0	0	111	C277 V278 C293 P426	C277-C291 CarbonylContact C-O 3.53Å; C277-C291 WeakPolarHBondContact CA-O 3.39Å; V278-C291 PolarHBondContact N-O 2.01Å; C291-C293 PolarHBondContact O-N 3.15Å; C291-P426 HydrophobicContact CB-CB 4.33Å
292	Q	74.2	Confident	71	Confident	79 Å²	79	73.1 Å²	73.1	37%	0.369	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-80.4	117.7	174.4	-66.7	-178.1	58.6	0	0	110.1	Q294 E295 C296	Q292-Q294 PolarHBondContact O-N 3.44Å; Q292-E295 HydrophobicContact CB-CB 4.23Å; Q292-E295 HydrophobicContact CB-CG 4.04Å; Q292-E295 VanDerWaalsContact CD-OE1 3.28Å; Q292-E295 PolarHBondContact NE2-OE1 3.38Å; Q292-E295 PolarHBondContact O-N 2.67Å; Q292-E295 PolarHBondContact OE1-OE1 2.68Å; Q292-C296 PolarHBondContact O-N 2.96Å
293	C	82.5	Confident	72.6	Confident	15 Å²	15	71.7 Å²	71.7	10%	0.101	39%	0.391	C	S	.	.	H	α-helix	trans	-56.5	-38.8	-178.4	-53.8	0	0	0	0	111.8	C277 V278 C291 C296 Q297	C277-C293 HydrophobicContact CB-CB 3.93Å; C277-C293 WeakPolarHBondContact CB-SG 3.23Å; C277-C293 PolarHBondContact O-SG 3.47Å; C277-C293 VanDerWaalsContact O-SG 3.34Å; C277-C293 WeakPolarHBondContact SG-CB 3.16Å; C277-C293 CovalentContact SG-SG 2.02Å; C277-C293 PolarHBondContact SG-SG 3.29Å; V278-C293 VanDerWaalsContact C-SG 3.58Å; V278-C293 PolarHBondContact O-N 3.1Å; V278-C293 PolarHBondContact O-SG 3.35Å; V278-C293 VanDerWaalsContact O-SG 3.35Å; C291-C293 PolarHBondContact O-N 3.15Å; C293-C296 PolarHBondContact O-N 3.37Å; C293-Q297 WeakPolarHBondContact O-CB 3.34Å; C293-Q297 PolarHBondContact O-N 3.02Å
294	Q	84.1	Confident	74.8	Confident	96 Å²	96	67 Å²	67	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-66.1	-44.5	-176.5	-175.9	178.6	-13.2	0	0	112.2	Q292 C296 Q297 E298	Q292-Q294 PolarHBondContact O-N 3.44Å; Q294-C296 VanDerWaalsContact C-N 3.34Å; Q294-C296 PolarHBondContact O-N 3.48Å; Q294-Q297 PolarHBondContact O-N 3.17Å; Q294-E298 WeakPolarHBondContact CG-OE1 3.3Å; Q294-E298 PolarHBondContact NE2-OE1 2.87Å; Q294-E298 WeakPolarHBondContact O-CB 3.5Å; Q294-E298 WeakPolarHBondContact O-CG 3.29Å; Q294-E298 PolarHBondContact O-N 3.05Å
295	E	84.9	Confident	76.7	Confident	91 Å²	91	57.7 Å²	57.7	43%	0.425	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-42.7	178.7	-66.7	-178.9	179.5	0	0	110.8	Q292 E298 A299	Q292-E295 HydrophobicContact CB-CB 4.23Å; Q292-E295 HydrophobicContact CB-CG 4.04Å; Q292-E295 VanDerWaalsContact CD-OE1 3.28Å; Q292-E295 PolarHBondContact NE2-OE1 3.38Å; Q292-E295 PolarHBondContact O-N 2.67Å; Q292-E295 PolarHBondContact OE1-OE1 2.68Å; E295-E298 PolarHBondContact O-N 3.49Å; E295-A299 VanDerWaalsContact O-CB 3.29Å; E295-A299 WeakPolarHBondContact O-CB 3.37Å; E295-A299 PolarHBondContact O-N 2.85Å
296	C	88.5	Confident	78.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-44.5	174.3	172.2	0	0	0	0	112.5	Q292 C293 Q294 E298 A299 Y300 V424 C425	Q292-C296 PolarHBondContact O-N 2.96Å; C293-C296 PolarHBondContact O-N 3.37Å; Q294-C296 VanDerWaalsContact C-N 3.34Å; Q294-C296 PolarHBondContact O-N 3.48Å; C296-E298 PolarHBondContact O-N 2.81Å; C296-A299 PolarHBondContact O-N 3.49Å; C296-Y300 VanDerWaalsContact O-CB 3.3Å; C296-Y300 WeakPolarHBondContact O-CB 3.32Å; C296-Y300 PolarHBondContact O-N 2.86Å; C296-V424 HydrophobicContact CB-CG2 4.37Å; C296-C425 WeakPolarHBondContact CA-SG 3.01Å; C296-C425 HydrophobicContact CB-CB 3.97Å; C296-C425 WeakPolarHBondContact CB-SG 3.19Å; C296-C425 WeakPolarHBondContact SG-CA 3.29Å; C296-C425 WeakPolarHBondContact SG-CB 3.38Å; C296-C425 CovalentContact SG-SG 2.04Å; C296-C425 PolarHBondContact SG-SG 3.15Å
297	Q	90.5	Very high	80.8	Confident	58 Å²	58	51 Å²	51	27%	0.271	28%	0.281	S	S	.	.	H	α-helix	trans	-60.5	-46.3	177.6	-171.4	-177.4	27.3	0	0	111.4	D269 L272 C293 Q294 R301	D269-Q297 VanDerWaalsContact CG-NE2 3.31Å; D269-Q297 PolarHBondContact OD1-NE2 3.24Å; D269-Q297 PolarHBondContact OD2-NE2 2.68Å; L272-Q297 HydrophobicContact CD1-CB 4.14Å; C293-Q297 WeakPolarHBondContact O-CB 3.34Å; C293-Q297 PolarHBondContact O-N 3.02Å; Q294-Q297 PolarHBondContact O-N 3.17Å; Q297-R301 VanDerWaalsContact O-CB 3.28Å; Q297-R301 WeakPolarHBondContact O-CB 3.34Å; Q297-R301 WeakPolarHBondContact O-CG 3.35Å; Q297-R301 PolarHBondContact O-N 2.73Å
298	E	89.7	Confident	83.1	Confident	72 Å²	72	50.7 Å²	50.7	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-65.2	-42.5	177.3	-73.3	-179.4	-157.3	0	0	112.2	F192 Q294 E295 C296 S302	F192-E298 HydrophobicContact CZ-CB 4.37Å; F192-E298 HydrophobicContact CZ-CG 4.26Å; Q294-E298 WeakPolarHBondContact CG-OE1 3.3Å; Q294-E298 PolarHBondContact NE2-OE1 2.87Å; Q294-E298 WeakPolarHBondContact O-CB 3.5Å; Q294-E298 WeakPolarHBondContact O-CG 3.29Å; Q294-E298 PolarHBondContact O-N 3.05Å; E295-E298 PolarHBondContact O-N 3.49Å; C296-E298 PolarHBondContact O-N 2.81Å; E298-S302 VanDerWaalsContact O-CB 3.3Å; E298-S302 WeakPolarHBondContact O-CB 3.49Å; E298-S302 PolarHBondContact O-N 3.11Å; E298-S302 PolarHBondContact O-OG 2.85Å
299	A	89.3	Confident	85.4	Confident	2 Å²	2	43.9 Å²	43.9	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-50.5	177.6	0	0	0	0	0	111.3	E295 C296 S302 W303 Q420 V421 V424	E295-A299 VanDerWaalsContact O-CB 3.29Å; E295-A299 WeakPolarHBondContact O-CB 3.37Å; E295-A299 PolarHBondContact O-N 2.85Å; C296-A299 PolarHBondContact O-N 3.49Å; A299-S302 PolarHBondContact O-N 2.82Å; A299-W303 WeakPolarHBondContact O-CB 3.44Å; A299-W303 PolarHBondContact O-N 3.36Å; A299-Q420 HydrophobicContact CB-CG 3.97Å; A299-V421 HydrophobicContact CB-CG2 4.06Å; A299-V424 HydrophobicContact CB-CG2 3.57Å
300	Y	93.2	Very high	87.3	Confident	35 Å²	35	40.6 Å²	40.6	14%	0.137	20%	0.196	C	C	.	.	H	α-helix	trans	-61.7	-47.3	-179.5	179.3	-91.1	0	0	0	111.4	F265 F268 C296 S302 W303 F304 V421	F265-Y300 HydrophobicContact CD1-CD1 4.48Å; F265-Y300 HydrophobicContact CD1-CE1 4.23Å; F265-Y300 HydrophobicContact CE1-CD1 4.41Å; F265-Y300 HydrophobicContact CE1-CE1 4.28Å; F268-Y300 HydrophobicContact CB-CD1 4.15Å; F268-Y300 HydrophobicContact CB-CE1 3.69Å; F268-Y300 AromaticContact CD1-CD1 3.31Å; F268-Y300 HydrophobicContact CD1-CD1 3.31Å; F268-Y300 HydrophobicContact CD1-CD2 4.45Å; F268-Y300 AromaticContact CD1-CE1 3.79Å; F268-Y300 HydrophobicContact CD1-CE1 3.79Å; F268-Y300 AromaticContact CD1-CG 3.7Å; F268-Y300 HydrophobicContact CD1-CG 3.7Å; F268-Y300 AromaticContact CD2-CD1 3.93Å; F268-Y300 HydrophobicContact CD2-CD1 3.93Å; F268-Y300 AromaticContact CD2-CD2 3.91Å; F268-Y300 HydrophobicContact CD2-CD2 3.91Å; F268-Y300 AromaticContact CD2-CE1 3.8Å; F268-Y300 HydrophobicContact CD2-CE1 3.8Å; F268-Y300 AromaticContact CD2-CE2 3.77Å; F268-Y300 HydrophobicContact CD2-CE2 3.77Å; F268-Y300 AromaticContact CD2-CG 3.98Å; F268-Y300 HydrophobicContact CD2-CG 3.98Å; F268-Y300 AromaticContact CD2-CZ 3.71Å; F268-Y300 AromaticContact CE1-CD1 3.52Å; F268-Y300 HydrophobicContact CE1-CD1 3.52Å; F268-Y300 HydrophobicContact CE1-CD2 4.09Å; F268-Y300 HydrophobicContact CE1-CE1 4.33Å; F268-Y300 AromaticContact CE1-CG 3.37Å; F268-Y300 HydrophobicContact CE1-CG 3.37Å; F268-Y300 HydrophobicContact CE2-CD1 4.13Å; F268-Y300 AromaticContact CE2-CD2 3.53Å; F268-Y300 HydrophobicContact CE2-CD2 3.53Å; F268-Y300 HydrophobicContact CE2-CE1 4.36Å; F268-Y300 AromaticContact CE2-CE2 3.79Å; F268-Y300 HydrophobicContact CE2-CE2 3.79Å; F268-Y300 AromaticContact CE2-CG 3.71Å; F268-Y300 HydrophobicContact CE2-CG 3.71Å; F268-Y300 AromaticContact CG-CD1 3.51Å; F268-Y300 HydrophobicContact CG-CD1 3.51Å; F268-Y300 HydrophobicContact CG-CD2 4.35Å; F268-Y300 AromaticContact CG-CE1 3.46Å; F268-Y300 HydrophobicContact CG-CE1 3.46Å; F268-Y300 VanDerWaalsContact CG-CE1 3.46Å; F268-Y300 HydrophobicContact CG-CE2 4.31Å; F268-Y300 AromaticContact CG-CG 3.97Å; F268-Y300 HydrophobicContact CG-CG 3.97Å; F268-Y300 AromaticContact CG-CZ 3.88Å; F268-Y300 VanDerWaalsContact CZ-CB 3.47Å; F268-Y300 AromaticContact CZ-CD1 3.93Å; F268-Y300 HydrophobicContact CZ-CD1 3.93Å; F268-Y300 AromaticContact CZ-CD2 3.62Å; F268-Y300 HydrophobicContact CZ-CD2 3.62Å; F268-Y300 HydrophobicContact CZ-CE2 4.32Å; F268-Y300 AromaticContact CZ-CG 3.38Å; F268-Y300 HydrophobicContact CZ-CG 3.38Å; C296-Y300 VanDerWaalsContact O-CB 3.3Å; C296-Y300 WeakPolarHBondContact O-CB 3.32Å; C296-Y300 PolarHBondContact O-N 2.86Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 3.47Å; Y300-W303 HydrophobicContact CD2-CE3 4.03Å; Y300-W303 HydrophobicContact CD2-CZ3 4.1Å; Y300-W303 HydrophobicContact CE2-CE3 4.08Å; Y300-W303 AromaticContact CE2-CZ3 3.68Å; Y300-W303 HydrophobicContact CE2-CZ3 3.68Å; Y300-W303 PolarHBondContact O-N 3.43Å; Y300-F304 HydrophobicContact CE1-CB 4.37Å; Y300-F304 VanDerWaalsContact O-CB 3.27Å; Y300-F304 WeakPolarHBondContact O-CB 3.4Å; Y300-F304 PolarHBondContact O-N 3.23Å; Y300-V421 HydrophobicContact CD2-CG1 4.16Å
301	R	94.2	Very high	88.9	Confident	53 Å²	53	37.3 Å²	37.3	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-43.5	177.6	-73.2	174.3	175.6	-138.9	0.8	111.3	F265 D269 Q297 C305	F265-R301 HydrophobicContact CD1-CG 3.9Å; F265-R301 HydrophobicContact CD2-CG 4.25Å; F265-R301 HydrophobicContact CE1-CB 4.11Å; F265-R301 HydrophobicContact CE1-CG 3.77Å; F265-R301 HydrophobicContact CE2-CB 4.37Å; F265-R301 HydrophobicContact CE2-CG 4.11Å; F265-R301 HydrophobicContact CG-CG 4.15Å; F265-R301 HydrophobicContact CZ-CB 3.92Å; F265-R301 HydrophobicContact CZ-CG 3.88Å; D269-R301 IonicContact OD1-NE 3.09Å; D269-R301 IonicContact OD1-NH2 2.73Å; D269-R301 IonicContact OD2-CZ 2.71Å; D269-R301 IonicContact OD2-NH2 2.66Å; D269-R301 PolarHBondContact OD2-NH2 3.41Å; Q297-R301 VanDerWaalsContact O-CB 3.28Å; Q297-R301 WeakPolarHBondContact O-CB 3.34Å; Q297-R301 WeakPolarHBondContact O-CG 3.35Å; Q297-R301 PolarHBondContact O-N 2.73Å; R301-C305 VanDerWaalsContact O-CB 3.23Å; R301-C305 WeakPolarHBondContact O-CB 3.1Å; R301-C305 PolarHBondContact O-N 2.87Å; R301-C305 PolarHBondContact O-SG 3.44Å
302	S	92	Very high	90.1	Very high	8 Å²	8	36.4 Å²	36.4	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-66.8	-44	179.8	-54.7	0	0	0	0	112.3	E298 A299 Y300 A306 W417	E298-S302 VanDerWaalsContact O-CB 3.3Å; E298-S302 WeakPolarHBondContact O-CB 3.49Å; E298-S302 PolarHBondContact O-N 3.11Å; E298-S302 PolarHBondContact O-OG 2.85Å; A299-S302 PolarHBondContact O-N 2.82Å; Y300-S302 VanDerWaalsContact C-N 3.31Å; Y300-S302 PolarHBondContact O-N 3.47Å; S302-A306 VanDerWaalsContact O-CB 3.23Å; S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 2.93Å; S302-W417 VanDerWaalsContact CB-CZ3 3.41Å
303	W	93.2	Very high	90.8	Very high	52 Å²	52	34.3 Å²	34.3	20%	0.197	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-47.3	175.2	165.2	73.1	0	0	0	112.3	A299 Y300 A306 T307 W417 C418 V421 F442	A299-W303 WeakPolarHBondContact O-CB 3.44Å; A299-W303 PolarHBondContact O-N 3.36Å; Y300-W303 HydrophobicContact CD2-CE3 4.03Å; Y300-W303 HydrophobicContact CD2-CZ3 4.1Å; Y300-W303 HydrophobicContact CE2-CE3 4.08Å; Y300-W303 AromaticContact CE2-CZ3 3.68Å; Y300-W303 HydrophobicContact CE2-CZ3 3.68Å; Y300-W303 PolarHBondContact O-N 3.43Å; W303-A306 PolarHBondContact O-N 3.47Å; W303-T307 PolarHBondContact NE1-OG1 3.31Å; W303-T307 WeakPolarHBondContact O-CB 3.1Å; W303-T307 PolarHBondContact O-N 2.84Å; W303-T307 PolarHBondContact O-OG1 2.81Å; W303-W417 HydrophobicContact CB-CB 4.23Å; W303-W417 HydrophobicContact CG-CB 4.47Å; W303-C418 VanDerWaalsContact CD1-CA 3.44Å; W303-V421 HydrophobicContact CB-CG2 3.64Å; W303-V421 HydrophobicContact CD2-CG2 4.41Å; W303-V421 HydrophobicContact CG-CG2 4.05Å; W303-F442 HydrophobicContact CD2-CE2 4.05Å; W303-F442 AromaticContact CD2-CZ 3.99Å; W303-F442 HydrophobicContact CD2-CZ 3.99Å; W303-F442 AromaticContact CE2-CZ 3.92Å; W303-F442 AromaticContact CE3-CE2 3.81Å; W303-F442 HydrophobicContact CE3-CE2 3.81Å; W303-F442 HydrophobicContact CE3-CZ 4.2Å; W303-F442 AromaticContact CH2-CE2 3.57Å; W303-F442 HydrophobicContact CH2-CE2 3.57Å; W303-F442 HydrophobicContact CH2-CZ 4.29Å; W303-F442 AromaticContact CZ2-CE2 3.79Å; W303-F442 HydrophobicContact CZ2-CE2 3.79Å; W303-F442 HydrophobicContact CZ2-CZ 4.06Å; W303-F442 AromaticContact CZ3-CE2 3.59Å; W303-F442 HydrophobicContact CZ3-CE2 3.59Å; W303-F442 HydrophobicContact CZ3-CZ 4.36Å
304	F	95.5	Very high	90.9	Very high	27 Å²	27	33.9 Å²	33.9	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-65	-44.5	-179	-170.6	-109.6	0	0	0	111	L261 H264 F265 Y300 A306 T307 E308	L261-F304 HydrophobicContact CD2-CD1 3.69Å; L261-F304 HydrophobicContact CD2-CE1 3.67Å; H264-F304 HydrophobicContact CB-CE1 3.71Å; H264-F304 HydrophobicContact CB-CZ 3.93Å; H264-F304 AromaticContact CG-CE1 3.96Å; H264-F304 AromaticContact CG-CZ 3.69Å; H264-F304 AromaticContact ND1-CZ 3.84Å; F265-F304 HydrophobicContact CD1-CD1 4.29Å; F265-F304 HydrophobicContact CE1-CB 3.93Å; F265-F304 AromaticContact CE1-CD1 3.46Å; F265-F304 HydrophobicContact CE1-CD1 3.46Å; F265-F304 VanDerWaalsContact CE1-CD1 3.46Å; F265-F304 HydrophobicContact CE1-CE1 4.37Å; F265-F304 HydrophobicContact CE1-CG 4.05Å; F265-F304 HydrophobicContact CZ-CB 4.42Å; F265-F304 AromaticContact CZ-CD1 3.89Å; F265-F304 HydrophobicContact CZ-CD1 3.89Å; Y300-F304 HydrophobicContact CE1-CB 4.37Å; Y300-F304 VanDerWaalsContact O-CB 3.27Å; Y300-F304 WeakPolarHBondContact O-CB 3.4Å; Y300-F304 PolarHBondContact O-N 3.23Å; F304-A306 VanDerWaalsContact C-N 3.34Å; F304-A306 PolarHBondContact O-N 3.04Å; F304-T307 PolarHBondContact O-N 3.19Å; F304-E308 VanDerWaalsContact O-CB 3.24Å; F304-E308 WeakPolarHBondContact O-CB 3.37Å; F304-E308 PolarHBondContact O-N 2.89Å
305	C	95.6	Very high	90.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-56.6	-46.2	172	-77.7	0	0	0	0	112.3	C191 L194 R301 T307 F309	C191-C305 WeakPolarHBondContact CA-SG 3.28Å; C191-C305 HydrophobicContact CB-CB 3.7Å; C191-C305 WeakPolarHBondContact CB-SG 3.42Å; C191-C305 WeakPolarHBondContact SG-CB 3.39Å; C191-C305 CovalentContact SG-SG 2.03Å; C191-C305 PolarHBondContact SG-SG 2.76Å; L194-C305 HydrophobicContact CD1-CB 3.95Å; R301-C305 VanDerWaalsContact O-CB 3.23Å; R301-C305 WeakPolarHBondContact O-CB 3.1Å; R301-C305 PolarHBondContact O-N 2.87Å; R301-C305 PolarHBondContact O-SG 3.44Å; C305-T307 VanDerWaalsContact C-N 3.29Å; C305-T307 PolarHBondContact O-N 2.74Å; C305-F309 WeakPolarHBondContact O-CA 3.06Å; C305-F309 WeakPolarHBondContact O-CB 3.48Å; C305-F309 PolarHBondContact O-N 3.41Å
306	A	93	Very high	90.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.2	-31.4	-178.4	0	0	0	0	0	112.7	S302 W303 F304 P413 W417 F471	S302-A306 VanDerWaalsContact O-CB 3.23Å; S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 2.93Å; W303-A306 PolarHBondContact O-N 3.47Å; F304-A306 VanDerWaalsContact C-N 3.34Å; F304-A306 PolarHBondContact O-N 3.04Å; A306-P413 HydrophobicContact CB-CB 3.94Å; A306-W417 HydrophobicContact CB-CD2 4.17Å; A306-W417 HydrophobicContact CB-CG 4.3Å; A306-F471 HydrophobicContact CB-CE2 3.73Å; A306-F471 HydrophobicContact CB-CZ 3.63Å
307	T	92.8	Very high	89.4	Confident	63 Å²	63	26.5 Å²	26.5	39%	0.387	12%	0.124	S	C	.	.	H	α-helix	trans	-82.5	-39.1	179.5	-54.6	0	0	0	0	112.5	W303 F304 C305 P310	W303-T307 PolarHBondContact NE1-OG1 3.31Å; W303-T307 WeakPolarHBondContact O-CB 3.1Å; W303-T307 PolarHBondContact O-N 2.84Å; W303-T307 PolarHBondContact O-OG1 2.81Å; F304-T307 PolarHBondContact O-N 3.19Å; C305-T307 VanDerWaalsContact C-N 3.29Å; C305-T307 PolarHBondContact O-N 2.74Å; T307-P310 WeakPolarHBondContact O-CD 3.44Å
308	E	94.1	Very high	88.3	Confident	77 Å²	77	26.2 Å²	26.2	36%	0.36	13%	0.132	S	C	.	.	H	α-helix	trans	-74.3	-36.5	177.2	-175.9	64.8	-170.9	0	0	111.4	N260 L261 F304 P310	N260-E308 PolarHBondContact ND2-OE1 3.32Å; L261-E308 HydrophobicContact CD2-CG 4.43Å; F304-E308 VanDerWaalsContact O-CB 3.24Å; F304-E308 WeakPolarHBondContact O-CB 3.37Å; F304-E308 PolarHBondContact O-N 2.89Å; E308-P310 WeakPolarHBondContact O-CD 3.45Å
309	F	93.2	Very high	87.2	Confident	2 Å²	2	24.1 Å²	24.1	1%	0.009	12%	0.123	C	C	.	.	S	Bend	trans	-121.6	70.1	179.9	-59.5	-80	0	0	0	113.3	L199 Y202 I256 M257 N260 L261 C305	L199-F309 HydrophobicContact CD2-CB 3.97Å; Y202-F309 HydrophobicContact CD1-CD1 4Å; Y202-F309 HydrophobicContact CD1-CE1 4.26Å; Y202-F309 HydrophobicContact CD2-CD1 4.01Å; Y202-F309 AromaticContact CE1-CD1 3.91Å; Y202-F309 HydrophobicContact CE1-CD1 3.91Å; Y202-F309 HydrophobicContact CE1-CE1 4.46Å; Y202-F309 HydrophobicContact CE2-CB 4.17Å; Y202-F309 AromaticContact CE2-CD1 3.94Å; Y202-F309 HydrophobicContact CE2-CD1 3.94Å; Y202-F309 HydrophobicContact CG-CD1 4.06Å; Y202-F309 HydrophobicContact CG-CE1 4.44Å; Y202-F309 AromaticContact CZ-CD1 3.89Å; Y202-F309 WeakPolarHBondContact OH-CA 3.38Å; I256-F309 HydrophobicContact CG2-CE1 4.11Å; I256-F309 HydrophobicContact CG2-CZ 4.4Å; M257-F309 HydrophobicContact CB-CE2 4.49Å; M257-F309 HydrophobicContact CB-CZ 4.32Å; M257-F309 HydrophobicContact CE-CD2 4.39Å; M257-F309 HydrophobicContact CG-CE1 4.09Å; M257-F309 HydrophobicContact CG-CE2 4.08Å; M257-F309 HydrophobicContact CG-CZ 3.79Å; N260-F309 HydrophobicContact CB-CZ 4.24Å; L261-F309 HydrophobicContact CD1-CE2 3.95Å; L261-F309 HydrophobicContact CD2-CE2 3.98Å; L261-F309 HydrophobicContact CG-CE2 3.97Å; C305-F309 WeakPolarHBondContact O-CA 3.06Å; C305-F309 WeakPolarHBondContact O-CB 3.48Å; C305-F309 PolarHBondContact O-N 3.41Å
310	P	91.9	Very high	85.9	Confident	11 Å²	11	25.2 Å²	25.2	7%	0.071	13%	0.128	C	C	.	.			trans	-50.1	143.9	166.9	-31	36.4	0	0	0	112.9	Y202 T307 E308 I410 Q412	Y202-P310 WeakPolarHBondContact CE2-O 3.23Å; Y202-P310 WeakPolarHBondContact OH-CD 3.29Å; Y202-P310 PolarHBondContact OH-O 3.27Å; T307-P310 WeakPolarHBondContact O-CD 3.44Å; E308-P310 WeakPolarHBondContact O-CD 3.45Å; P310-I410 HydrophobicContact CB-CG2 3.67Å; P310-Q412 VanDerWaalsContact CG-OE1 3.26Å
311	L	91.1	Very high	84	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	136.6	-171.9	-59.9	-177.5	0	0	0	111.8	L194 L199 Y313 I410 V411 F471 L479	L194-L311 HydrophobicContact CD2-CD2 4.32Å; L199-L311 HydrophobicContact CD2-CD2 3.81Å; L311-Y313 PolarHBondContact O-N 3.15Å; L311-I410 WeakPolarHBondContact O-CA 3.48Å; L311-V411 PolarHBondContact N-O 2.95Å; L311-V411 PolarHBondContact O-N 3.28Å; L311-F471 HydrophobicContact CB-CD1 4.43Å; L311-F471 HydrophobicContact CB-CE1 4.49Å; L311-F471 HydrophobicContact CD1-CB 4.17Å; L311-F471 HydrophobicContact CD1-CD1 4.05Å; L311-F471 HydrophobicContact CD1-CD2 3.81Å; L311-F471 HydrophobicContact CD1-CE1 4.4Å; L311-F471 HydrophobicContact CD1-CE2 4.18Å; L311-F471 HydrophobicContact CD1-CG 3.73Å; L311-F471 HydrophobicContact CD1-CZ 4.46Å; L311-F471 HydrophobicContact CG-CD1 3.97Å; L311-F471 HydrophobicContact CG-CD2 4.25Å; L311-F471 HydrophobicContact CG-CE1 3.9Å; L311-F471 HydrophobicContact CG-CE2 4.19Å; L311-F471 HydrophobicContact CG-CG 4.15Å; L311-F471 HydrophobicContact CG-CZ 4Å; L311-L479 HydrophobicContact CD1-CD1 3.46Å; L311-L479 VanDerWaalsContact CD1-CD1 3.46Å
312	Y	89.8	Confident	81.5	Confident	21 Å²	21	27.8 Å²	27.8	8%	0.082	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	95.5	163.2	-73.3	-95.9	0	0	0	109.7	Y198 P201 Y202 L207 L408 V409 I410	Y198-Y312 WeakPolarHBondContact CD1-O 3.31Å; Y198-Y312 WeakPolarHBondContact O-CB 3.02Å; Y198-Y312 PolarHBondContact O-N 3.03Å; P201-Y312 HydrophobicContact CB-CD1 3.84Å; P201-Y312 HydrophobicContact CB-CD2 3.68Å; P201-Y312 HydrophobicContact CB-CE1 4.04Å; P201-Y312 HydrophobicContact CB-CE2 3.88Å; P201-Y312 HydrophobicContact CB-CG 3.65Å; P201-Y312 HydrophobicContact CG-CD1 4.09Å; P201-Y312 HydrophobicContact CG-CD2 3.95Å; P201-Y312 HydrophobicContact CG-CG 3.63Å; Y202-Y312 HydrophobicContact CD2-CD2 4.18Å; Y202-Y312 AromaticContact CD2-CE2 3.83Å; Y202-Y312 HydrophobicContact CD2-CE2 3.83Å; Y202-Y312 AromaticContact CE2-CD2 3.9Å; Y202-Y312 HydrophobicContact CE2-CD2 3.9Å; Y202-Y312 AromaticContact CE2-CE2 3.55Å; Y202-Y312 HydrophobicContact CE2-CE2 3.55Å; Y202-Y312 HydrophobicContact CG-CE2 4.43Å; Y202-Y312 AromaticContact CZ-CE2 3.94Å; L207-Y312 HydrophobicContact CD2-CE1 4.02Å; Y312-L408 HydrophobicContact CD1-CB 4.43Å; Y312-V409 CarbonylContact C-O 3.57Å; Y312-V409 WeakPolarHBondContact CA-O 3.4Å; Y312-I410 HydrophobicContact CD1-CG1 3.97Å; Y312-I410 HydrophobicContact CE1-CD1 3.94Å; Y312-I410 HydrophobicContact CE1-CG1 3.61Å
313	Y	87.8	Confident	78.8	Confident	35 Å²	35	31.4 Å²	31.4	14%	0.137	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.6	-175.8	-170.4	-108.6	0	0	0	111.7	Y198 L311 L315 V409 V411 L479 L515 R516	Y198-Y313 HydrophobicContact CE1-CD2 4.26Å; L311-Y313 PolarHBondContact O-N 3.15Å; Y313-L315 HydrophobicContact CD1-CD2 3.78Å; Y313-L315 HydrophobicContact CD1-CG 4.17Å; Y313-L315 HydrophobicContact CE1-CD2 3.69Å; Y313-V409 PolarHBondContact N-O 3.42Å; Y313-V409 WeakPolarHBondContact O-CG2 3.48Å; Y313-V409 PolarHBondContact O-N 2.91Å; Y313-V411 HydrophobicContact CG-CG2 4.41Å; Y313-L479 HydrophobicContact CD2-CD2 3.84Å; Y313-L479 HydrophobicContact CE2-CD2 3.44Å; Y313-L479 VanDerWaalsContact CE2-CD2 3.44Å; Y313-L515 HydrophobicContact CD2-CD2 4.23Å; Y313-L515 HydrophobicContact CE2-CD2 4.27Å; Y313-L515 HydrophobicContact CG-CD2 4.47Å; Y313-R516 HydrophobicContact CE1-CB 4.33Å
314	P	85.3	Confident	75.9	Confident	7 Å²	7	35 Å²	35	5%	0.045	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	121.7	176.1	30.8	-32.9	0	0	0	111.7	Y198 I235 F236 F406 R407 L408	Y198-P314 HydrophobicContact CE1-CG 4.29Å; I235-P314 HydrophobicContact CG2-CB 4.32Å; F236-P314 HydrophobicContact CE2-CG 4.43Å; P314-F406 HydrophobicContact CB-CD1 4.47Å; P314-R407 WeakPolarHBondContact CA-O 3.43Å; P314-L408 HydrophobicContact CB-CD2 4.17Å
315	L	80.5	Confident	72.9	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145	168.7	-68.6	179.9	0	0	0	110.6	Y313 D317 L320 F406 R407 V409 R516 C519 L520 F523	Y313-L315 HydrophobicContact CD1-CD2 3.78Å; Y313-L315 HydrophobicContact CD1-CG 4.17Å; Y313-L315 HydrophobicContact CE1-CD2 3.69Å; L315-D317 PolarHBondContact O-N 2.95Å; L315-L320 HydrophobicContact CB-CD1 3.94Å; L315-L320 HydrophobicContact CD1-CD1 4.46Å; L315-L320 HydrophobicContact CD1-CD2 4.46Å; L315-F406 CarbonylContact O-C 3.51Å; L315-F406 VanDerWaalsContact O-CA 3.28Å; L315-F406 WeakPolarHBondContact O-CA 3.04Å; L315-R407 PolarHBondContact N-O 3.13Å; L315-R407 PolarHBondContact O-N 3.5Å; L315-V409 HydrophobicContact CD1-CB 4.45Å; L315-V409 HydrophobicContact CD1-CG1 4.09Å; L315-V409 HydrophobicContact CD1-CG2 3.56Å; L315-V409 HydrophobicContact CG-CG2 3.77Å; L315-R516 HydrophobicContact CD2-CG 4.21Å; L315-C519 HydrophobicContact CD1-CB 4.14Å; L315-C519 HydrophobicContact CD2-CB 4.31Å; L315-L520 HydrophobicContact CD2-CD2 4.41Å; L315-L520 HydrophobicContact CD2-CG 4.47Å; L315-F523 HydrophobicContact CD1-CD2 3.56Å; L315-F523 HydrophobicContact CD1-CE2 3.5Å
316	N	77	Confident	69.8	Low	12 Å²	12	45.9 Å²	45.9	6%	0.064	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.7	173.4	179	21.5	0	0	0	109.2	A318 D319 L320 L405 F406	N316-A318 VanDerWaalsContact C-N 3.29Å; N316-A318 PolarHBondContact O-N 3.06Å; N316-A318 PolarHBondContact OD1-N 3.37Å; N316-D319 HydrophobicContact CB-CB 4.48Å; N316-D319 WeakPolarHBondContact CB-OD2 3.39Å; N316-D319 PolarHBondContact ND2-OD1 3.38Å; N316-D319 WeakPolarHBondContact O-CB 3.04Å; N316-D319 PolarHBondContact O-N 3.03Å; N316-L320 PolarHBondContact O-N 3Å; N316-L405 CarbonylContact C-O 3.58Å; N316-L405 WeakPolarHBondContact CA-O 2.83Å; N316-L405 PolarHBondContact OD1-O 2.97Å; N316-F406 HydrophobicContact CB-CD1 4.39Å; N316-F406 HydrophobicContact CB-CE1 4.14Å
317	D	68.8	Low	66.8	Low	18 Å²	18	55.9 Å²	55.9	10%	0.096	30%	0.303	C	S	.	.	H	α-helix	trans	-68.7	-29.4	-177.9	-162.9	62.3	0	0	0	111.8	Y215 L315 D319 L320 S321 L405	Y215-D317 HydrophobicContact CE1-CB 4.2Å; Y215-D317 WeakPolarHBondContact CE1-OD2 3.49Å; Y215-D317 PolarHBondContact OH-OD2 2.94Å; Y215-D317 VanDerWaalsContact OH-OD2 3.11Å; L315-D317 PolarHBondContact O-N 2.95Å; D317-D319 PolarHBondContact O-N 3.12Å; D317-L320 CarbonylContact O-C 3.11Å; D317-L320 PolarHBondContact O-N 2.05Å; D317-S321 VanDerWaalsContact O-CB 3.3Å; D317-S321 WeakPolarHBondContact O-CB 3.37Å; D317-S321 PolarHBondContact O-N 3.39Å; D317-S321 PolarHBondContact O-OG 2.87Å; D317-L405 HydrophobicContact CB-CB 3.87Å; D317-L405 WeakPolarHBondContact CB-O 3.34Å; D317-L405 PolarHBondContact N-O 3.4Å
318	A	66.9	Low	63.7	Low	53 Å²	53	58.5 Å²	58.5	44%	0.438	32%	0.324	S	S	.	.	H	α-helix	trans	-61.8	-31.1	173.5	0	0	0	0	0	112.2	N316 L320	N316-A318 VanDerWaalsContact C-N 3.29Å; N316-A318 PolarHBondContact O-N 3.06Å; N316-A318 PolarHBondContact OD1-N 3.37Å; A318-L320 VanDerWaalsContact C-N 3.32Å
319	D	65.3	Low	60.6	Low	27 Å²	27	63.1 Å²	63.1	14%	0.144	35%	0.35	C	S	.	.	H	α-helix	trans	-77	-24	176.4	-54.9	-14	0	0	0	111.4	N316 D317 R516 L520	N316-D319 HydrophobicContact CB-CB 4.48Å; N316-D319 WeakPolarHBondContact CB-OD2 3.39Å; N316-D319 PolarHBondContact ND2-OD1 3.38Å; N316-D319 WeakPolarHBondContact O-CB 3.04Å; N316-D319 PolarHBondContact O-N 3.03Å; D317-D319 PolarHBondContact O-N 3.12Å; D319-R516 IonicContact OD1-NH2 3.72Å; D319-R516 IonicContact OD2-CZ 3.79Å; D319-R516 IonicContact OD2-NE 3.79Å; D319-R516 IonicContact OD2-NH2 2.74Å; D319-R516 PolarHBondContact OD2-NH2 3.43Å; D319-L520 HydrophobicContact CB-CD1 3.96Å; D319-L520 HydrophobicContact CB-CD2 3.49Å; D319-L520 VanDerWaalsContact CB-CD2 3.49Å; D319-L520 HydrophobicContact CB-CG 4.37Å
320	L	62.2	Low	57.6	Low	25 Å²	25	65.9 Å²	65.9	13%	0.131	38%	0.379	C	S	.	.	H	α-helix	trans	-88.7	-26.5	179.8	-70.9	163.6	0	0	0	113	L315 N316 D317 A318 L520 F523	L315-L320 HydrophobicContact CB-CD1 3.94Å; L315-L320 HydrophobicContact CD1-CD1 4.46Å; L315-L320 HydrophobicContact CD1-CD2 4.46Å; N316-L320 PolarHBondContact O-N 3Å; D317-L320 CarbonylContact O-C 3.11Å; D317-L320 PolarHBondContact O-N 2.05Å; A318-L320 VanDerWaalsContact C-N 3.32Å; L320-L520 HydrophobicContact CD2-CD2 4.41Å; L320-L520 HydrophobicContact CG-CD2 4.39Å; L320-F523 HydrophobicContact CD2-CB 3.45Å; L320-F523 VanDerWaalsContact CD2-CB 3.45Å; L320-F523 HydrophobicContact CD2-CD1 4.43Å; L320-F523 HydrophobicContact CD2-CD2 4Å; L320-F523 HydrophobicContact CD2-CG 3.72Å
321	S	53.8	Low	54.6	Low	66 Å²	66	70.3 Å²	70.3	46%	0.462	41%	0.411	S	S	.	.			trans	-99.5	9.8	-168.9	54.2	0	0	0	0	114.7	D317 P323	D317-S321 VanDerWaalsContact O-CB 3.3Å; D317-S321 WeakPolarHBondContact O-CB 3.37Å; D317-S321 PolarHBondContact O-N 3.39Å; D317-S321 PolarHBondContact O-OG 2.87Å; S321-P323 WeakPolarHBondContact O-CD 3.43Å
322	I	42.1	Very low	51.6	Low	76 Å²	76	77.5 Å²	77.5	39%	0.39	45%	0.449	S	S	.	.			trans	-54.8	108.5	176.9	-55.6	174.6	0	0	0	109	L324 V496	I322-L324 PolarHBondContact O-N 3.43Å; I322-V496 HydrophobicContact CD1-CG2 4.29Å
323	P	35.1	Very low	49	Very low	85 Å²	85	84.2 Å²	84.2	55%	0.552	49%	0.485	S	S	*	.			trans	-69.2	125.6	169.9	-8.1	26.1	0	0	0	106	S321 H325	S321-P323 WeakPolarHBondContact O-CD 3.43Å; P323-H325 PolarHBondContact O-N 2.99Å
324	L	32	Very low	46.1	Very low	128 Å²	128	88 Å²	88	67%	0.67	51%	0.512	S	S	*	.			trans	-63.5	71.6	160.3	-90	140.7	0	0	0	107.9	I322 S326 L531	I322-L324 PolarHBondContact O-N 3.43Å; L324-S326 VanDerWaalsContact C-N 3.31Å; L324-S326 PolarHBondContact O-N 3.47Å; L324-L531 HydrophobicContact CD1-CD1 4.5Å
325	H	33.6	Very low	43.4	Very low	160 Å²	160	94.9 Å²	94.9	74%	0.741	55%	0.548	S	S	*	.			trans	-74.4	96	170.7	-95.7	-53.1	0	0	0	107.9	P323	P323-H325 PolarHBondContact O-N 2.99Å
326	S	28.8	Very low	41	Very low	95 Å²	95	101 Å²	101	66%	0.664	59%	0.585	S	S	*	*			trans	-0.7	122.5	143.3	47.5	0	0	0	0	113.8	L324 S328	L324-S326 VanDerWaalsContact C-N 3.31Å; L324-S326 PolarHBondContact O-N 3.47Å; S326-S328 PolarHBondContact O-N 3.15Å
327	K	30.4	Very low	38.6	Very low	210 Å²	210	108.1 Å²	108.1	91%	0.913	62%	0.618	S	S	*	*	S	Bend	trans	-42.7	112.1	160.7	-79.2	175.8	174.8	174.1	0	109	L329	K327-L329 PolarHBondContact O-N 3.09Å; K327-L329 VanDerWaalsContact O-N 3.1Å
328	S	27.5	Very low	36.8	Very low	118 Å²	118	113.4 Å²	113.4	83%	0.825	65%	0.651	S	S	*	*			trans	-4.1	97.3	155.5	-178.9	0	0	0	0	113.7	S326	S326-S328 PolarHBondContact O-N 3.15Å
329	L	30.6	Very low	35	Very low	174 Å²	174	118 Å²	118	91%	0.911	66%	0.663	S	S	*	*			trans	-119.9	120.8	149.5	-150.6	75.8	0	0	0	105.6	K327	K327-L329 PolarHBondContact O-N 3.09Å; K327-L329 VanDerWaalsContact O-N 3.1Å
330	G	29.5	Very low	33.2	Very low	60 Å²	60	127.1 Å²	127.1	62%	0.619	70%	0.695	S	S	*	*			trans	-66.6	171.5	-161.7	0	0	0	0	0	116
331	S	28.6	Very low	31.6	Very low	105 Å²	105	131.3 Å²	131.3	73%	0.734	72%	0.717	S	S	*	*			trans	65.7	115.3	159.4	51.8	0	0	0	0	117.8
332	D	27.8	Very low	30.3	Very low	151 Å²	151	136.8 Å²	136.8	81%	0.807	74%	0.735	S	S	*	*			trans	55.2	96.4	140.3	-57.5	-23.8	0	0	0	117.3
333	I	34.8	Very low	29.8	Very low	162 Å²	162	138.4 Å²	138.4	83%	0.831	75%	0.748	S	S	*	*			trans	-153.8	119.2	135.8	-84.6	125.7	0	0	0	108.1
334	T	28.4	Very low	29.4	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	75%	0.753	S	S	*	*			trans	-67.4	152.5	165.8	44.6	0	0	0	0	111.1
335	D	27.8	Very low	29.4	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	76%	0.759	S	S	*	*			trans	67.5	92.6	163.3	-54.6	-30.3	0	0	0	117.6
336	V	30.5	Very low	29.1	Very low	130 Å²	130	137.5 Å²	137.5	79%	0.788	76%	0.759	S	S	*	*			trans	-137.5	114.9	153.3	-174.1	0	0	0	0	110.7	V338	V336-V338 PolarHBondContact O-N 3.34Å
337	E	26.3	Very low	29.1	Very low	162 Å²	162	139.1 Å²	139.1	76%	0.757	76%	0.759	S	S	*	*			trans	-67.7	113.3	175.4	-170.9	174.5	-160.9	0	0	110.9	H339	E337-H339 PolarHBondContact O-N 2.93Å
338	V	31.1	Very low	29.1	Very low	129 Å²	129	134.6 Å²	134.6	78%	0.782	75%	0.754	S	S	*	*			trans	-76.7	95.9	-180	-178.7	0	0	0	0	110.2	V336 R340	V336-V338 PolarHBondContact O-N 3.34Å; V338-R340 PolarHBondContact O-N 3.2Å
339	H	28.4	Very low	29.1	Very low	149 Å²	149	135.8 Å²	135.8	69%	0.69	75%	0.751	S	S	*	*			trans	-64.8	110	163.8	-85.4	55.7	0	0	0	109.6	E337 I341	E337-H339 PolarHBondContact O-N 2.93Å; H339-I341 PolarHBondContact O-N 3.33Å
340	R	29.1	Very low	29.1	Very low	218 Å²	218	135.4 Å²	135.4	82%	0.823	75%	0.749	S	S	*	*			trans	-70.7	107.9	172.7	-79.1	-176	177.8	138.5	-1.6	110.3	V338	V338-R340 PolarHBondContact O-N 3.2Å
341	I	27.7	Very low	28.9	Very low	114 Å²	114	137.3 Å²	137.3	59%	0.585	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-70.7	123.2	170.7	-62.5	173	0	0	0	109.4	H339 E534	H339-I341 PolarHBondContact O-N 3.33Å; I341-E534 VanDerWaalsContact CD1-OE1 3.23Å; I341-E534 WeakPolarHBondContact CD1-OE1 2.98Å
342	H	26.6	Very low	28.9	Very low	180 Å²	180	139.1 Å²	139.1	83%	0.833	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-73.1	123.4	166.6	-92.5	3.6	0	0	0	109.6
343	V	30.3	Very low	28.6	Very low	111 Å²	111	137.7 Å²	137.7	67%	0.673	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-101.2	121.2	166.9	-175.5	0	0	0	0	108.8
344	P	27.3	Very low	28.4	Very low	101 Å²	101	135.5 Å²	135.5	66%	0.656	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-76.7	129.2	170.7	30	-28.6	0	0	0	109.4	T346	P344-T346 PolarHBondContact O-N 3.32Å; P344-T346 VanDerWaalsContact O-N 3.12Å
345	V	31.6	Very low	28.1	Very low	131 Å²	131	139.6 Å²	139.6	79%	0.794	77%	0.769	S	S	*	*			trans	-73.5	101.6	165.2	176.9	0	0	0	0	107	I347	V345-I347 HydrophobicContact CG1-CG1 4.49Å; V345-I347 PolarHBondContact O-N 2.9Å; V345-I347 VanDerWaalsContact O-N 3.1Å
346	T	27.5	Very low	28.2	Very low	122 Å²	122	141.3 Å²	141.3	75%	0.748	77%	0.774	S	S	*	*			trans	-71.9	99.6	169.4	-30.5	0	0	0	0	107.7	P344 S348	P344-T346 PolarHBondContact O-N 3.32Å; P344-T346 VanDerWaalsContact O-N 3.12Å; T346-S348 PolarHBondContact O-N 3.22Å
347	I	30.2	Very low	28	Very low	129 Å²	129	140.4 Å²	140.4	66%	0.662	77%	0.771	S	S	*	*			trans	-66.3	111.2	162.9	-62.1	170.8	0	0	0	105.7	V345 N349	V345-I347 HydrophobicContact CG1-CG1 4.49Å; V345-I347 PolarHBondContact O-N 2.9Å; V345-I347 VanDerWaalsContact O-N 3.1Å; I347-N349 VanDerWaalsContact C-N 3.34Å; I347-N349 PolarHBondContact O-N 3.15Å
348	S	29.5	Very low	27.9	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	78%	0.778	S	S	*	*			trans	-63.2	100.1	166.9	-63	0	0	0	0	107.8	T346 L350	T346-S348 PolarHBondContact O-N 3.22Å; S348-L350 PolarHBondContact O-N 2.96Å
349	N	27.8	Very low	27.8	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	78%	0.78	S	S	*	*			trans	-58.8	121.5	169.2	-74.5	-33.5	0	0	0	109.3	I347	I347-N349 VanDerWaalsContact C-N 3.34Å; I347-N349 PolarHBondContact O-N 3.15Å
350	L	29.7	Very low	27.7	Very low	165 Å²	165	148.8 Å²	148.8	86%	0.864	79%	0.792	S	S	*	*			trans	-118.6	126.6	143.9	-134.2	75.2	0	0	0	108.5	S348	S348-L350 PolarHBondContact O-N 2.96Å
351	S	25.9	Very low	27.5	Very low	101 Å²	101	148.6 Å²	148.6	71%	0.706	80%	0.797	S	S	*	*			trans	-82.5	135.9	-159.2	43.2	0	0	0	0	113.7
352	T	27.7	Very low	27.6	Very low	143 Å²	143	147.4 Å²	147.4	88%	0.877	80%	0.799	S	S	*	*				-161.8	113.6	128.7	2.5	0	0	0	0	113.5
353	S	23.4	Very low	27.5	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	79%	0.789	S	S	*	*			trans	-11.5	117.5	153.2	159.6	0	0	0	0	117.8
354	S	29.3	Very low	27.5	Very low	117 Å²	117	148.1 Å²	148.1	82%	0.818	80%	0.798	S	S	*	*				-156.7	141.4	126.7	75.2	0	0	0	0	111.7
355	K	23.3	Very low	27.4	Very low	201 Å²	201	152 Å²	152	87%	0.874	81%	0.805	S	S	*	*			trans	-78.4	135.3	-172.2	-68.5	162.3	173.6	169.2	0	110.9
356	M	28.8	Very low	27.3	Very low	187 Å²	187	152.1 Å²	152.1	92%	0.921	80%	0.8	S	S	*	*			trans	-153.5	156.7	148.1	-103.1	-169.9	130	0	0	111
357	P	26	Very low	27.3	Very low	111 Å²	111	153 Å²	153	72%	0.721	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-102.1	147	-135.8	6.4	15.3	0	0	0	114.9
358	R	24.4	Very low	27.2	Very low	240 Å²	240	158 Å²	158	91%	0.906	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-49.4	138.1	169.5	-72.4	174.8	175.4	168.2	-1.3	113.7
359	P	28.3	Very low	27.1	Very low	128 Å²	128	157.6 Å²	157.6	83%	0.831	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.5	138.7	149.2	-1.2	20.5	0	0	0	110.5
360	R	26.9	Very low	27.2	Very low	248 Å²	248	156.5 Å²	156.5	94%	0.936	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-63.2	133.9	-173.7	-73.3	169	165.6	161	-5.5	113	S362	R360-S362 PolarHBondContact O-N 3.24Å
361	K	26.3	Very low	27.2	Very low	214 Å²	214	154.6 Å²	154.6	93%	0.93	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.8	125.6	156.7	-75.9	179.9	174.7	-179.5	0	109.2
362	S	28	Very low	27.5	Very low	88 Å²	88	155.6 Å²	155.6	62%	0.615	81%	0.813	S	S	*	*			trans	-106.1	117.2	159.6	178.4	0	0	0	0	108.2	R360 Y364	R360-S362 PolarHBondContact O-N 3.24Å; S362-Y364 VanDerWaalsContact OG-CE2 3.26Å; S362-Y364 WeakPolarHBondContact OG-CE2 3.18Å
363	S	26	Very low	27.7	Very low	90 Å²	90	157 Å²	157	63%	0.629	81%	0.809	S	S	*	*			trans	-83.8	122	177	50	0	0	0	0	110
364	Y	30.1	Very low	27.9	Very low	217 Å²	217	156.7 Å²	156.7	85%	0.851	80%	0.804	S	S	*	*			trans	-127.9	118.7	150.5	-61.7	-74.1	0	0	0	108.7	S362	S362-Y364 VanDerWaalsContact OG-CE2 3.26Å; S362-Y364 WeakPolarHBondContact OG-CE2 3.18Å
365	F	25.2	Very low	27.9	Very low	183 Å²	183	160.6 Å²	160.6	80%	0.803	81%	0.807	S	S	*	*			trans	-103.1	148.4	-172.9	-119.5	-77	0	0	0	107.7
366	L	29.2	Very low	28	Very low	132 Å²	132	157.9 Å²	157.9	69%	0.691	80%	0.802	S	S	*	*			trans	102.2	113.6	149.3	-61.4	164	0	0	0	120.1
367	N	26.8	Very low	27.9	Very low	141 Å²	141	155.4 Å²	155.4	75%	0.754	79%	0.791	S	S	*	*			trans	73.9	132.6	136.7	-62.2	-14.7	0	0	0	116.6
368	R	28.3	Very low	27.9	Very low	235 Å²	235	154.9 Å²	154.9	89%	0.887	79%	0.79	S	S	*	*			cis	-164.4	148.4	39.8	-152.1	175	-162.9	-159.5	2.8	110.4
369	S	27.1	Very low	28.1	Very low	105 Å²	105	150 Å²	150	73%	0.734	79%	0.787	S	S	*	*			trans	-55.5	148.5	175.7	24.9	0	0	0	0	116
370	S	29.5	Very low	28.1	Very low	121 Å²	121	150.4 Å²	150.4	85%	0.846	79%	0.786	S	S	*	*				-176	146.6	127.6	-69.5	0	0	0	0	112.5
371	P	31.6	Very low	28.3	Very low	124 Å²	124	147.2 Å²	147.2	81%	0.805	78%	0.782	S	S	*	*			trans	-102.4	179.3	-163.8	12.7	12.2	0	0	0	114.5
372	P	32	Very low	28.2	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	77%	0.771	S	S	*	*			trans	-97	164.8	-147.8	38.6	-34.6	0	0	0	115.3
373	Q	31.2	Very low	28.4	Very low	171 Å²	171	145.9 Å²	145.9	80%	0.799	78%	0.782	S	S	*	*			trans	-130.5	144.6	164.2	-95.2	-166.6	-10	0	0	112.6
374	P	27.8	Very low	28.8	Very low	114 Å²	114	146.3 Å²	146.3	74%	0.74	79%	0.785	S	S	*	*			trans	-94.8	150.3	-175.5	37.8	-31.4	0	0	0	111.6
375	F	29.8	Very low	28.7	Very low	200 Å²	200	143.9 Å²	143.9	88%	0.877	78%	0.782	S	S	*	*			trans	-134.3	131.1	160.9	-82.9	-78.9	0	0	0	111.2
376	N	24.1	Very low	29	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	78%	0.777	S	S	*	*			trans	-119.9	155.5	-175.9	-156.4	-0.8	0	0	0	108.1
377	I	28.4	Very low	28.9	Very low	135 Å²	135	143.6 Å²	143.6	69%	0.692	78%	0.78	S	S	*	*			trans	88	105.3	153.7	-62.9	155.2	0	0	0	119.2
378	S	24.5	Very low	29.1	Very low	99 Å²	99	145 Å²	145	69%	0.692	79%	0.788	S	S	*	*			trans	48.7	127.9	133.1	79	0	0	0	0	121.7
379	V	30.1	Very low	29.1	Very low	138 Å²	138	140.6 Å²	140.6	84%	0.836	78%	0.781	S	S	*	*				-149.9	122.2	127.2	179.3	0	0	0	0	108.9
380	V	26.8	Very low	29.2	Very low	136 Å²	136	146.8 Å²	146.8	82%	0.824	79%	0.79	S	S	*	*			trans	-86.3	130.4	163.1	167.1	0	0	0	0	107.1
381	E	31.8	Very low	28.9	Very low	182 Å²	182	152.7 Å²	152.7	85%	0.85	79%	0.793	S	S	*	*			trans	-153.8	128.3	146.3	-148.4	149.5	-159.4	0	0	112.2
382	S	24.8	Very low	28.8	Very low	98 Å²	98	156.3 Å²	156.3	69%	0.685	80%	0.796	S	S	*	*			trans	-82.4	147.7	-177	55.7	0	0	0	0	112.7
383	M	32.1	Very low	28.7	Very low	175 Å²	175	155.6 Å²	155.6	86%	0.862	79%	0.794	S	S	*	*			trans	-148.7	109.6	145.1	-76.2	-144.7	83.1	0	0	112.5
384	S	33.2	Very low	28.4	Very low	99 Å²	99	152.7 Å²	152.7	69%	0.692	79%	0.793	S	S	*	*			trans	48.9	108.6	135.5	58.6	0	0	0	0	122.9
385	E	29.1	Very low	28.6	Very low	166 Å²	166	152.9 Å²	152.9	78%	0.776	79%	0.794	S	S	*	*			trans	-9.1	163.7	136.8	-99.9	-165.4	169.8	0	0	120.3
386	P	31.2	Very low	28.6	Very low	109 Å²	109	149 Å²	149	71%	0.708	79%	0.787	S	S	*	*			cis	-149.6	155.2	45.3	37.2	-14.1	0	0	0	120.5
387	R	26.9	Very low	28.8	Very low	200 Å²	200	151.1 Å²	151.1	76%	0.755	79%	0.792	S	S	*	*			trans	45.8	111.5	142.7	-66.5	179.1	179.2	179.6	-0.4	118.9
388	N	31.4	Very low	28.7	Very low	171 Å²	171	151.9 Å²	151.9	91%	0.914	79%	0.791	S	S	*	*			trans	-139.9	126.6	130.1	-95.2	-37.5	0	0	0	112.5
389	I	27.1	Very low	28.9	Very low	143 Å²	143	155.4 Å²	155.4	73%	0.733	80%	0.796	S	S	*	*			trans	-69	121.1	-179.8	-67.4	151.8	0	0	0	108.8
390	Y	29.9	Very low	29.2	Very low	235 Å²	235	152.6 Å²	152.6	92%	0.922	78%	0.779	S	S	*	*			trans	-155.3	104.7	141.2	-102.7	-75	0	0	0	109.8
391	R	24.2	Very low	29.5	Very low	244 Å²	244	153.2 Å²	153.2	92%	0.921	78%	0.778	S	S	*	*			trans	-83.2	115.7	176.4	-135.8	179.8	-167.6	167.6	2.4	107.8
392	K	29.1	Very low	30.3	Very low	200 Å²	200	148.9 Å²	148.9	87%	0.87	77%	0.768	S	S	*	*			trans	-155.8	105	154.9	-130.8	173.4	-177.3	179.2	0	112.1
393	S	29	Very low	31.9	Very low	109 Å²	109	151.4 Å²	151.4	76%	0.762	77%	0.768	S	S	*	*			trans	50.9	100.2	157.7	52.4	0	0	0	0	118.9
394	S	25.4	Very low	33.3	Very low	109 Å²	109	146.1 Å²	146.1	76%	0.762	74%	0.743	S	S	*	*			trans	-59.2	129.3	158	51.4	0	0	0	0	112
395	P	32.5	Very low	35.1	Very low	118 Å²	118	143.7 Å²	143.7	77%	0.766	72%	0.722	S	S	*	*			trans	-74.3	130.3	144.6	22.8	-10.6	0	0	0	107.1	E397	P395-E397 PolarHBondContact O-N 3.29Å
396	T	28.7	Very low	37.3	Very low	118 Å²	118	137.1 Å²	137.1	72%	0.724	69%	0.691	S	S	*	*			trans	-34.2	111.1	177.1	11.6	0	0	0	0	112.4	F398	T396-F398 VanDerWaalsContact C-N 3.28Å; T396-F398 PolarHBondContact O-N 3.29Å
397	E	28.2	Very low	39.6	Very low	190 Å²	190	135.5 Å²	135.5	89%	0.888	67%	0.671	S	S	*	*			trans	-65.1	90.4	168	-165.2	172.6	-152.9	0	0	107	P395 Q399	P395-E397 PolarHBondContact O-N 3.29Å; E397-Q399 PolarHBondContact O-N 3.49Å
398	F	27.8	Very low	42.2	Very low	151 Å²	151	126.7 Å²	126.7	66%	0.662	64%	0.639	S	S	*	*			trans	-71.9	105.2	168.6	-92.8	-90.5	0	0	0	107.4	T396 V400	T396-F398 VanDerWaalsContact C-N 3.28Å; T396-F398 PolarHBondContact O-N 3.29Å; F398-V400 PolarHBondContact O-N 3.32Å
399	Q	27.2	Very low	44.6	Very low	172 Å²	172	119.2 Å²	119.2	80%	0.804	60%	0.599	S	S	*	*			trans	-61	102.1	161.4	-84.3	178	-29.3	0	0	108.1	E397 D401	E397-Q399 PolarHBondContact O-N 3.49Å; Q399-D401 PolarHBondContact O-N 2.84Å
400	V	37.4	Very low	47.5	Very low	80 Å²	80	116.4 Å²	116.4	49%	0.485	59%	0.585	S	S	.	*			trans	-82.2	88.7	167.2	-179.1	0	0	0	0	106.8	F398 S402	F398-V400 PolarHBondContact O-N 3.32Å; V400-S402 PolarHBondContact O-N 3.44Å
401	D	33.7	Very low	50.2	Low	149 Å²	149	105.2 Å²	105.2	80%	0.797	54%	0.541	S	S	*	.			trans	-68.7	84.3	165.5	-93	-22	0	0	0	108.6	Q399	Q399-D401 PolarHBondContact O-N 2.84Å
402	S	47	Very low	53.4	Low	91 Å²	91	98.5 Å²	98.5	64%	0.636	52%	0.52	S	S	*	.	S	Bend	trans	168	123.3	154.3	-77	0	0	0	0	108.7	V400 L404	V400-S402 PolarHBondContact O-N 3.44Å; S402-L404 VanDerWaalsContact C-N 3.35Å; S402-L404 PolarHBondContact O-N 3.13Å
403	H	58.2	Low	56.3	Low	150 Å²	150	90.2 Å²	90.2	69%	0.694	49%	0.487	S	S	*	.			trans	-61.1	93.9	171.5	-68.8	-61.6	0	0	0	109.7	P217 L405	P217-H403 HydrophobicContact CB-CB 3.91Å; P217-H403 WeakPolarHBondContact CB-ND1 3.02Å; H403-L405 PolarHBondContact O-N 3.48Å
404	L	63.1	Low	59	Low	64 Å²	64	85.2 Å²	85.2	34%	0.335	45%	0.452	S	S	.	.			trans	-63.6	126.8	174.8	-71.5	171.1	0	0	0	109	P231 S402 F406	P231-L404 HydrophobicContact CB-CD1 4.37Å; S402-L404 VanDerWaalsContact C-N 3.35Å; S402-L404 PolarHBondContact O-N 3.13Å; L404-F406 HydrophobicContact CB-CE2 3.88Å; L404-F406 HydrophobicContact CB-CZ 4.16Å; L404-F406 HydrophobicContact CD1-CZ 4.45Å
405	L	70.2	Confident	61.9	Low	48 Å²	48	83.9 Å²	83.9	25%	0.251	44%	0.435	S	S	.	.			trans	-107	130.2	-177.8	-68.7	-176.5	0	0	0	107.7	Y215 N316 D317 H403	Y215-L405 VanDerWaalsContact CB-CD2 3.46Å; Y215-L405 HydrophobicContact CD1-CB 3.55Å; Y215-L405 HydrophobicContact CD1-CD1 3.43Å; Y215-L405 VanDerWaalsContact CD1-CD1 3.43Å; Y215-L405 HydrophobicContact CD1-CD2 3.56Å; Y215-L405 HydrophobicContact CD1-CG 3.64Å; Y215-L405 HydrophobicContact CE1-CB 3.88Å; Y215-L405 HydrophobicContact CE1-CD1 3.66Å; Y215-L405 HydrophobicContact CE1-CG 4.18Å; Y215-L405 HydrophobicContact CG-CD1 3.9Å; Y215-L405 HydrophobicContact CG-CD2 3.79Å; Y215-L405 HydrophobicContact CG-CG 4.25Å; N316-L405 CarbonylContact C-O 3.58Å; N316-L405 WeakPolarHBondContact CA-O 2.83Å; N316-L405 PolarHBondContact OD1-O 2.97Å; D317-L405 HydrophobicContact CB-CB 3.87Å; D317-L405 WeakPolarHBondContact CB-O 3.34Å; D317-L405 PolarHBondContact N-O 3.4Å; H403-L405 PolarHBondContact O-N 3.48Å
406	F	75.7	Confident	64.1	Low	28 Å²	28	79.2 Å²	79.2	12%	0.123	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.8	179.3	-66.9	-80.4	0	0	0	110.6	P231 I235 P314 L315 N316 L404	P231-F406 HydrophobicContact CB-CE2 3.87Å; P231-F406 HydrophobicContact CB-CZ 3.82Å; I235-F406 HydrophobicContact CD1-CB 3.77Å; I235-F406 WeakPolarHBondContact CD1-O 3.38Å; P314-F406 HydrophobicContact CB-CD1 4.47Å; L315-F406 CarbonylContact O-C 3.51Å; L315-F406 VanDerWaalsContact O-CA 3.28Å; L315-F406 WeakPolarHBondContact O-CA 3.04Å; N316-F406 HydrophobicContact CB-CD1 4.39Å; N316-F406 HydrophobicContact CB-CE1 4.14Å; L404-F406 HydrophobicContact CB-CE2 3.88Å; L404-F406 HydrophobicContact CB-CZ 4.16Å; L404-F406 HydrophobicContact CD1-CZ 4.45Å
407	R	78.1	Confident	66.9	Low	76 Å²	76	73.7 Å²	73.7	29%	0.287	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.3	172	-176.9	178	179.3	-172.1	-0.5	109.7	P314 L315	P314-R407 WeakPolarHBondContact CA-O 3.43Å; L315-R407 PolarHBondContact N-O 3.13Å; L315-R407 PolarHBondContact O-N 3.5Å
408	L	83.4	Confident	69.8	Low	14 Å²	14	65.3 Å²	65.3	7%	0.073	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.3	171.6	-66.5	175.2	0	0	0	110	P201 I235 F236 Y312 P314	P201-L408 HydrophobicContact CG-CD1 3.99Å; I235-L408 HydrophobicContact CD1-CD2 4.17Å; I235-L408 HydrophobicContact CD1-CG 3.78Å; I235-L408 HydrophobicContact CG1-CG 4.35Å; I235-L408 HydrophobicContact CG2-CD2 3.98Å; I235-L408 HydrophobicContact CG2-CG 4.48Å; F236-L408 HydrophobicContact CE1-CD2 4.11Å; F236-L408 HydrophobicContact CE2-CD2 4.46Å; F236-L408 HydrophobicContact CZ-CD2 3.76Å; Y312-L408 HydrophobicContact CD1-CB 4.43Å; P314-L408 HydrophobicContact CB-CD2 4.17Å
409	V	81.1	Confident	72.5	Confident	14 Å²	14	59 Å²	59	9%	0.085	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	144.2	173	-61.4	0	0	0	0	109.8	Y312 Y313 L315 V411 F523	Y312-V409 CarbonylContact C-O 3.57Å; Y312-V409 WeakPolarHBondContact CA-O 3.4Å; Y313-V409 PolarHBondContact N-O 3.42Å; Y313-V409 WeakPolarHBondContact O-CG2 3.48Å; Y313-V409 PolarHBondContact O-N 2.91Å; L315-V409 HydrophobicContact CD1-CB 4.45Å; L315-V409 HydrophobicContact CD1-CG1 4.09Å; L315-V409 HydrophobicContact CD1-CG2 3.56Å; L315-V409 HydrophobicContact CG-CG2 3.77Å; V409-V411 HydrophobicContact CG2-CG2 4.06Å; V409-F523 HydrophobicContact CB-CE2 4.22Å; V409-F523 HydrophobicContact CB-CZ 3.96Å; V409-F523 HydrophobicContact CG1-CE2 4.11Å; V409-F523 HydrophobicContact CG1-CZ 3.86Å; V409-F523 HydrophobicContact CG2-CE2 4.08Å; V409-F523 HydrophobicContact CG2-CZ 4.31Å
410	I	86.7	Confident	75.1	Confident	84 Å²	84	54.1 Å²	54.1	43%	0.431	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.7	174.4	-59.3	173.4	0	0	0	107.8	P310 L311 Y312	P310-I410 HydrophobicContact CB-CG2 3.67Å; L311-I410 WeakPolarHBondContact O-CA 3.48Å; Y312-I410 HydrophobicContact CD1-CG1 3.97Å; Y312-I410 HydrophobicContact CE1-CD1 3.94Å; Y312-I410 HydrophobicContact CE1-CG1 3.61Å
411	V	88.2	Confident	77.5	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.6	177.1	-175.1	0	0	0	0	108.5	L311 Y313 V409 F471 L515	L311-V411 PolarHBondContact N-O 2.95Å; L311-V411 PolarHBondContact O-N 3.28Å; Y313-V411 HydrophobicContact CG-CG2 4.41Å; V409-V411 HydrophobicContact CG2-CG2 4.06Å; V411-F471 HydrophobicContact CB-CD1 4.4Å; V411-F471 HydrophobicContact CG1-CB 4.22Å; V411-F471 HydrophobicContact CG1-CD1 4.1Å; V411-F471 VanDerWaalsContact O-CD1 3.23Å; V411-F471 WeakPolarHBondContact O-CD1 3.42Å; V411-F471 WeakPolarHBondContact O-CE1 3.02Å; V411-L515 HydrophobicContact CG1-CD1 4.12Å
412	Q	89.8	Confident	80	Confident	102 Å²	102	45.5 Å²	45.5	48%	0.477	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-77.6	153.5	-179.6	-65	-61.3	-25.2	0	0	111.5	P310 C470 F471	P310-Q412 VanDerWaalsContact CG-OE1 3.26Å; Q412-C470 CarbonylContact O-C 3.6Å; Q412-C470 WeakPolarHBondContact O-CA 3.45Å; Q412-C470 VanDerWaalsContact O-CB 3.31Å; Q412-C470 WeakPolarHBondContact O-CB 2.77Å; Q412-F471 VanDerWaalsContact C-CD1 3.43Å; Q412-F471 VanDerWaalsContact C-CE1 3.43Å; Q412-F471 WeakPolarHBondContact O-CD1 3.25Å; Q412-F471 PolarHBondContact O-N 2.97Å
413	P	90.3	Very high	81.5	Confident	26 Å²	26	44.6 Å²	44.6	17%	0.169	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-64.7	145.6	173.9	28.1	-35.3	0	0	0	110.7	A306 W417 F471	A306-P413 HydrophobicContact CB-CB 3.94Å; P413-W417 HydrophobicContact CB-CG 4.3Å; P413-F471 VanDerWaalsContact CA-CE1 3.46Å; P413-F471 HydrophobicContact CB-CE1 3.9Å; P413-F471 HydrophobicContact CB-CE2 4.32Å; P413-F471 HydrophobicContact CB-CZ 3.77Å; P413-F471 HydrophobicContact CG-CE1 4.48Å
414	C	87.3	Confident	82.6	Confident	4 Å²	4	39 Å²	39	3%	0.027	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-70.8	156.8	170.5	-60.1	0	0	0	0	111.7	S416 W417 E466 C470 F471 G472	C414-S416 PolarHBondContact O-N 2.84Å; C414-S416 VanDerWaalsContact O-N 3.1Å; C414-W417 PolarHBondContact O-N 2.82Å; C414-W417 VanDerWaalsContact O-N 3.13Å; C414-E466 HydrophobicContact CB-CB 4.33Å; C414-E466 HydrophobicContact CB-CG 3.64Å; C414-E466 VanDerWaalsContact SG-CG 3.54Å; C414-C470 WeakPolarHBondContact CA-SG 3.28Å; C414-C470 HydrophobicContact CB-CB 3.9Å; C414-C470 WeakPolarHBondContact CB-SG 3.03Å; C414-C470 WeakPolarHBondContact SG-CB 3.48Å; C414-C470 PolarHBondContact SG-O 3.29Å; C414-C470 CovalentContact SG-SG 2.03Å; C414-C470 PolarHBondContact SG-SG 3.46Å; C414-F471 PolarHBondContact N-O 3.47Å; C414-G472 PolarHBondContact SG-N 3.42Å; C414-G472 VanDerWaalsContact SG-N 3.38Å
415	I	84.3	Confident	83.6	Confident	82 Å²	82	36.9 Å²	36.9	42%	0.421	19%	0.191	S	C	.	.	H	α-helix	trans	-55.2	-28.5	174.6	-164.6	79.8	0	0	0	111.3	W417 C418 T419 C444	I415-W417 PolarHBondContact O-N 3.1Å; I415-W417 VanDerWaalsContact O-N 3.09Å; I415-C418 WeakPolarHBondContact O-CA 3.28Å; I415-C418 WeakPolarHBondContact O-CB 3.01Å; I415-C418 PolarHBondContact O-N 2.87Å; I415-T419 HydrophobicContact CG1-CG2 4.12Å; I415-T419 PolarHBondContact O-N 3.17Å; I415-C444 HydrophobicContact CD1-CB 4.2Å
416	S	80.1	Confident	84.2	Confident	20 Å²	20	35.4 Å²	35.4	14%	0.14	19%	0.185	C	C	.	.	H	α-helix	trans	-46	-41.2	174.4	67.9	0	0	0	0	114	C414 C418 T419 Q420 E466	C414-S416 PolarHBondContact O-N 2.84Å; C414-S416 VanDerWaalsContact O-N 3.1Å; S416-C418 VanDerWaalsContact C-N 3.33Å; S416-C418 PolarHBondContact O-N 3.26Å; S416-T419 VanDerWaalsContact CA-OG1 3.3Å; S416-T419 WeakPolarHBondContact CA-OG1 3.3Å; S416-T419 PolarHBondContact O-N 2.98Å; S416-T419 PolarHBondContact O-OG1 3.18Å; S416-Q420 PolarHBondContact O-N 3.4Å; S416-Q420 VanDerWaalsContact O-N 3.1Å; S416-E466 WeakPolarHBondContact CB-OE1 3.36Å; S416-E466 PolarHBondContact N-OE1 3.45Å
417	W	87.2	Confident	84.5	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-43.9	179.7	-72.8	104	0	0	0	111.6	R193 S302 W303 A306 P413 C414 I415 F471 V473	R193-W417 HydrophobicContact CB-CH2 4.05Å; R193-W417 HydrophobicContact CG-CH2 4.32Å; R193-W417 HydrophobicContact CG-CZ3 4.48Å; S302-W417 VanDerWaalsContact CB-CZ3 3.41Å; W303-W417 HydrophobicContact CB-CB 4.23Å; W303-W417 HydrophobicContact CG-CB 4.47Å; A306-W417 HydrophobicContact CB-CD2 4.17Å; A306-W417 HydrophobicContact CB-CG 4.3Å; P413-W417 HydrophobicContact CB-CG 4.3Å; C414-W417 PolarHBondContact O-N 2.82Å; C414-W417 VanDerWaalsContact O-N 3.13Å; I415-W417 PolarHBondContact O-N 3.1Å; I415-W417 VanDerWaalsContact O-N 3.09Å; W417-F471 HydrophobicContact CZ2-CD2 4.35Å; W417-F471 HydrophobicContact CZ2-CE2 4.2Å; W417-F471 AromaticContact NE1-CD2 3.73Å; W417-F471 AromaticContact NE1-CE2 3.68Å; W417-F471 PolarHBondContact NE1-O 3.05Å; W417-V473 HydrophobicContact CD2-CG2 3.81Å; W417-V473 HydrophobicContact CE3-CG2 3.71Å; W417-V473 HydrophobicContact CG-CG2 4.43Å; W417-V473 HydrophobicContact CH2-CB 4.29Å; W417-V473 HydrophobicContact CH2-CG1 4.28Å; W417-V473 HydrophobicContact CH2-CG2 4.07Å; W417-V473 HydrophobicContact CZ2-CB 4.41Å; W417-V473 HydrophobicContact CZ2-CG2 4.18Å; W417-V473 HydrophobicContact CZ3-CB 4.43Å; W417-V473 HydrophobicContact CZ3-CG1 4.35Å; W417-V473 HydrophobicContact CZ3-CG2 3.8Å
418	C	89.6	Confident	84.7	Confident	14 Å²	14	37 Å²	37	10%	0.095	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-50.6	178.4	-173	0	0	0	0	110	W303 I415 S416 Q420 V421 E422 F442 C444	W303-C418 VanDerWaalsContact CD1-CA 3.44Å; I415-C418 WeakPolarHBondContact O-CA 3.28Å; I415-C418 WeakPolarHBondContact O-CB 3.01Å; I415-C418 PolarHBondContact O-N 2.87Å; S416-C418 VanDerWaalsContact C-N 3.33Å; S416-C418 PolarHBondContact O-N 3.26Å; C418-Q420 PolarHBondContact O-N 2.79Å; C418-V421 WeakPolarHBondContact O-CA 3.5Å; C418-V421 WeakPolarHBondContact O-CB 3.37Å; C418-V421 PolarHBondContact O-N 3.11Å; C418-E422 PolarHBondContact O-N 2.94Å; C418-E422 VanDerWaalsContact O-N 3.1Å; C418-F442 HydrophobicContact CB-CZ 4.41Å; C418-F442 WeakPolarHBondContact O-CE1 3.29Å; C418-F442 VanDerWaalsContact SG-CE1 3.52Å; C418-F442 WeakPolarHBondContact SG-CZ 3.35Å; C418-C444 WeakPolarHBondContact CA-SG 3.46Å; C418-C444 HydrophobicContact CB-CB 3.83Å; C418-C444 WeakPolarHBondContact CB-SG 3.41Å; C418-C444 PolarHBondContact O-SG 3.18Å; C418-C444 WeakPolarHBondContact SG-CA 3.48Å; C418-C444 WeakPolarHBondContact SG-CB 3.48Å; C418-C444 CovalentContact SG-SG 2.02Å; C418-C444 PolarHBondContact SG-SG 3.11Å
419	T	83.2	Confident	84.6	Confident	18 Å²	18	41.6 Å²	41.6	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-29.8	-177	58.4	0	0	0	0	112.8	I415 S416 E422 T423 C444	I415-T419 HydrophobicContact CG1-CG2 4.12Å; I415-T419 PolarHBondContact O-N 3.17Å; S416-T419 VanDerWaalsContact CA-OG1 3.3Å; S416-T419 WeakPolarHBondContact CA-OG1 3.3Å; S416-T419 PolarHBondContact O-N 2.98Å; S416-T419 PolarHBondContact O-OG1 3.18Å; T419-E422 PolarHBondContact O-N 2.65Å; T419-T423 VanDerWaalsContact O-CB 3.31Å; T419-T423 WeakPolarHBondContact O-CB 3.05Å; T419-T423 PolarHBondContact O-N 3.43Å; T419-T423 PolarHBondContact O-OG1 3.23Å; T419-C444 HydrophobicContact CG2-CB 4.39Å; T419-C444 PolarHBondContact N-SG 3.01Å; T419-C444 VanDerWaalsContact N-SG 3.39Å
420	Q	82.7	Confident	84.7	Confident	71 Å²	71	42.3 Å²	42.3	33%	0.332	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-47.2	174.1	-169.2	173.5	14.7	0	0	111.2	A299 S416 C418 T423 V424	A299-Q420 HydrophobicContact CB-CG 3.97Å; S416-Q420 PolarHBondContact O-N 3.4Å; S416-Q420 VanDerWaalsContact O-N 3.1Å; C418-Q420 PolarHBondContact O-N 2.79Å; Q420-T423 PolarHBondContact O-N 3.28Å; Q420-V424 VanDerWaalsContact O-CG2 3.26Å; Q420-V424 WeakPolarHBondContact O-CG2 3.43Å; Q420-V424 PolarHBondContact O-N 2.64Å
421	V	88.4	Confident	84.2	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-48.5	176.8	-177.7	0	0	0	0	110.6	A299 Y300 W303 C418 T423 V424 C425 F442	A299-V421 HydrophobicContact CB-CG2 4.06Å; Y300-V421 HydrophobicContact CD2-CG1 4.16Å; W303-V421 HydrophobicContact CB-CG2 3.64Å; W303-V421 HydrophobicContact CD2-CG2 4.41Å; W303-V421 HydrophobicContact CG-CG2 4.05Å; C418-V421 WeakPolarHBondContact O-CA 3.5Å; C418-V421 WeakPolarHBondContact O-CB 3.37Å; C418-V421 PolarHBondContact O-N 3.11Å; V421-T423 PolarHBondContact O-N 2.05Å; V421-T423 VanDerWaalsContact O-N 3.17Å; V421-V424 PolarHBondContact O-N 3.34Å; V421-C425 HydrophobicContact CG1-CB 4.35Å; V421-C425 WeakPolarHBondContact O-CB 3.27Å; V421-C425 PolarHBondContact O-N 2.77Å; V421-F442 HydrophobicContact CB-CD1 4.07Å; V421-F442 HydrophobicContact CB-CE1 3.44Å; V421-F442 VanDerWaalsContact CB-CE1 3.44Å; V421-F442 HydrophobicContact CB-CE2 4.18Å; V421-F442 HydrophobicContact CB-CZ 3.49Å; V421-F442 VanDerWaalsContact CB-CZ 3.49Å; V421-F442 HydrophobicContact CG1-CD1 3.78Å; V421-F442 HydrophobicContact CG1-CD2 3.92Å; V421-F442 HydrophobicContact CG1-CE1 3.58Å; V421-F442 HydrophobicContact CG1-CE2 3.72Å; V421-F442 HydrophobicContact CG1-CG 3.95Å; V421-F442 HydrophobicContact CG1-CZ 3.55Å; V421-F442 HydrophobicContact CG2-CE1 4.43Å; V421-F442 HydrophobicContact CG2-CZ 4.05Å
422	E	84.9	Confident	83.4	Confident	45 Å²	45	47.1 Å²	47.1	21%	0.21	27%	0.265	C	S	.	.	H	α-helix	trans	-55.9	-33.9	177.7	-169	179.8	157.7	0	0	112	C418 T419 F442 C444 H448	C418-E422 PolarHBondContact O-N 2.94Å; C418-E422 VanDerWaalsContact O-N 3.1Å; T419-E422 PolarHBondContact O-N 2.65Å; E422-F442 HydrophobicContact CB-CD1 3.96Å; E422-F442 HydrophobicContact CB-CE1 4.08Å; E422-C444 VanDerWaalsContact OE2-CB 3.29Å; E422-C444 WeakPolarHBondContact OE2-CB 3.33Å; E422-C444 PolarHBondContact OE2-N 3.45Å; E422-C444 PolarHBondContact OE2-SG 3.02Å; E422-C444 VanDerWaalsContact OE2-SG 3.36Å; E422-H448 IonicContact OE1-ND1 3.64Å; E422-H448 IonicContact OE2-ND1 3.46Å; E422-H448 PolarHBondContact OE2-ND1 2.87Å
423	T	78.8	Confident	82	Confident	73 Å²	73	47 Å²	47	45%	0.448	27%	0.273	S	S	.	.	H	α-helix	trans	-81.8	-40.6	-177.2	-59.2	0	0	0	0	113.7	T419 Q420 V421 W460	T419-T423 VanDerWaalsContact O-CB 3.31Å; T419-T423 WeakPolarHBondContact O-CB 3.05Å; T419-T423 PolarHBondContact O-N 3.43Å; T419-T423 PolarHBondContact O-OG1 3.23Å; Q420-T423 PolarHBondContact O-N 3.28Å; V421-T423 PolarHBondContact O-N 2.05Å; V421-T423 VanDerWaalsContact O-N 3.17Å; T423-W460 HydrophobicContact CG2-CE3 3.94Å; T423-W460 HydrophobicContact CG2-CH2 4.04Å; T423-W460 HydrophobicContact CG2-CZ3 3.31Å
424	V	80.8	Confident	80.7	Confident	33 Å²	33	51.7 Å²	51.7	20%	0.2	30%	0.301	C	S	.	.	H	α-helix	trans	-98.9	-19.8	-171.2	-57.7	0	0	0	0	114.1	C296 A299 Q420 V421	C296-V424 HydrophobicContact CB-CG2 4.37Å; A299-V424 HydrophobicContact CB-CG2 3.57Å; Q420-V424 VanDerWaalsContact O-CG2 3.26Å; Q420-V424 WeakPolarHBondContact O-CG2 3.43Å; Q420-V424 PolarHBondContact O-N 2.64Å; V421-V424 PolarHBondContact O-N 3.34Å
425	C	85.3	Confident	79.7	Confident	18 Å²	18	55.2 Å²	55.2	12%	0.122	33%	0.325	C	S	.	.	S	Bend	trans	-82.5	150.6	-178.5	-72.4	0	0	0	0	112.6	C296 V421	C296-C425 WeakPolarHBondContact CA-SG 3.01Å; C296-C425 HydrophobicContact CB-CB 3.97Å; C296-C425 WeakPolarHBondContact CB-SG 3.19Å; C296-C425 WeakPolarHBondContact SG-CA 3.29Å; C296-C425 WeakPolarHBondContact SG-CB 3.38Å; C296-C425 CovalentContact SG-SG 2.04Å; C296-C425 PolarHBondContact SG-SG 3.15Å; V421-C425 HydrophobicContact CG1-CB 4.35Å; V421-C425 WeakPolarHBondContact O-CB 3.27Å; V421-C425 PolarHBondContact O-N 2.77Å
426	P	82.7	Confident	79.1	Confident	17 Å²	17	53.8 Å²	53.8	11%	0.11	32%	0.319	C	S	.	.			trans	-62.3	152.3	174.4	27.8	-34.3	0	0	0	110.4	L272 C291 L428	L272-P426 HydrophobicContact CD2-CG 3.96Å; C291-P426 HydrophobicContact CB-CB 4.33Å; P426-L428 HydrophobicContact CG-CD2 4.3Å; P426-L428 HydrophobicContact CG-CG 4.47Å; P426-L428 PolarHBondContact O-N 3.44Å; P426-L428 VanDerWaalsContact O-N 3.12Å
427	Y	81.4	Confident	78.7	Confident	107 Å²	107	56.5 Å²	56.5	42%	0.42	35%	0.35	S	S	.	.			trans	-65.2	113.3	170.3	178.6	-84.9	0	0	0	109.2	N429 G438 E439 P440	Y427-N429 WeakPolarHBondContact CE1-OD1 3.12Å; Y427-N429 PolarHBondContact OH-OD1 2.88Å; Y427-N429 VanDerWaalsContact OH-OD1 3.04Å; Y427-G438 PolarHBondContact OH-O 3.22Å; Y427-E439 PolarHBondContact OH-O 3.46Å; Y427-P440 HydrophobicContact CD2-CB 3.73Å; Y427-P440 HydrophobicContact CD2-CG 4.5Å; Y427-P440 HydrophobicContact CE2-CB 3.63Å; Y427-P440 HydrophobicContact CE2-CG 4.26Å
428	L	82.7	Confident	78.2	Confident	32 Å²	32	58.7 Å²	58.7	17%	0.168	37%	0.373	C	S	.	.			trans	-105.7	122.8	179.6	-65.1	171.6	0	0	0	108.8	L271 P426 A441	L271-L428 HydrophobicContact CD2-CD1 3.77Å; L271-L428 HydrophobicContact CG-CD1 4.31Å; L271-L428 HydrophobicContact CG-CD2 4.45Å; P426-L428 HydrophobicContact CG-CD2 4.3Å; P426-L428 HydrophobicContact CG-CG 4.47Å; P426-L428 PolarHBondContact O-N 3.44Å; P426-L428 VanDerWaalsContact O-N 3.12Å; L428-A441 HydrophobicContact CB-CB 4.04Å; L428-A441 VanDerWaalsContact O-CB 3.28Å; L428-A441 WeakPolarHBondContact O-CB 3.31Å; L428-A441 PolarHBondContact O-N 3.27Å
429	N	81.3	Confident	77.7	Confident	109 Å²	109	62.9 Å²	62.9	58%	0.583	39%	0.391	S	S	*	.			trans	-75.8	132.1	175.1	-88.9	-39.3	0	0	0	110.5	Y427	Y427-N429 WeakPolarHBondContact CE1-OD1 3.12Å; Y427-N429 PolarHBondContact OH-OD1 2.88Å; Y427-N429 VanDerWaalsContact OH-OD1 3.04Å
430	P	82.7	Confident	77.6	Confident	30 Å²	30	62.9 Å²	62.9	20%	0.195	39%	0.391	C	S	.	.			trans	-58.1	157.2	166.4	-21.8	32.2	0	0	0	111.9	D432 N436 E439 A441	P430-D432 PolarHBondContact O-N 2.61Å; P430-N436 WeakPolarHBondContact CB-ND2 3.23Å; P430-N436 HydrophobicContact CG-CB 4.16Å; P430-N436 WeakPolarHBondContact CG-ND2 3.3Å; P430-E439 WeakPolarHBondContact CD-O 3.41Å; P430-A441 HydrophobicContact CG-CB 4.21Å
431	A	76.8	Confident	77.6	Confident	111 Å²	111	62.5 Å²	62.5	92%	0.917	40%	0.4	S	S	*	.	S	Bend	trans	-61.8	-25.6	-177.3	0	0	0	0	0	114.3	P433	A431-P433 VanDerWaalsContact O-CD 3.27Å; A431-P433 WeakPolarHBondContact O-CD 3.19Å
432	D	71.9	Confident	77.4	Confident	75 Å²	75	64.4 Å²	64.4	40%	0.401	41%	0.408	S	S	.	.			trans	-99.6	101	170.2	-166.9	-25.4	0	0	0	109.6	P430 T434 S435 N436	P430-D432 PolarHBondContact O-N 2.61Å; D432-T434 PolarHBondContact O-N 3.25Å; D432-T434 PolarHBondContact OD1-N 3.35Å; D432-T434 PolarHBondContact OD1-OG1 3.06Å; D432-S435 PolarHBondContact OD1-N 3.05Å; D432-N436 PolarHBondContact O-ND2 2.92Å
433	P	59.1	Low	77.4	Confident	99 Å²	99	64.8 Å²	64.8	64%	0.643	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.2	-179.3	29	-34.3	0	0	0	112.8	A431	A431-P433 VanDerWaalsContact O-CD 3.27Å; A431-P433 WeakPolarHBondContact O-CD 3.19Å
434	T	63.1	Low	77.6	Confident	125 Å²	125	62.6 Å²	62.6	77%	0.767	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-24.6	-172.8	57.4	0	0	0	0	114	D432	D432-T434 PolarHBondContact O-N 3.25Å; D432-T434 PolarHBondContact OD1-N 3.35Å; D432-T434 PolarHBondContact OD1-OG1 3.06Å
435	S	66.1	Low	77.3	Confident	77 Å²	77	64.4 Å²	64.4	54%	0.538	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-26.3	179.1	77.3	0	0	0	0	113.9	D432	D432-S435 PolarHBondContact OD1-N 3.05Å
436	N	72.3	Confident	76.3	Confident	52 Å²	52	70.1 Å²	70.1	28%	0.278	43%	0.432	S	S	.	.	S	Bend	trans	-99.6	9.4	-165.4	-59.8	-37.2	0	0	0	114.2	P430 D432 G438 E439	P430-N436 WeakPolarHBondContact CB-ND2 3.23Å; P430-N436 HydrophobicContact CG-CB 4.16Å; P430-N436 WeakPolarHBondContact CG-ND2 3.3Å; D432-N436 PolarHBondContact O-ND2 2.92Å; N436-G438 PolarHBondContact O-N 3.34Å; N436-E439 VanDerWaalsContact O-CB 3.25Å; N436-E439 WeakPolarHBondContact O-CB 3.19Å; N436-E439 WeakPolarHBondContact O-CG 3.45Å; N436-E439 PolarHBondContact O-N 3.28Å
437	G	72	Confident	75.2	Confident	78 Å²	78	71.8 Å²	71.8	80%	0.804	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	13.3	170.1	0	0	0	0	0	116.7
438	G	77.3	Confident	74.1	Confident	46 Å²	46	69.5 Å²	69.5	47%	0.474	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	18.4	-171.5	0	0	0	0	0	114.3	Y427 N436	Y427-G438 PolarHBondContact OH-O 3.22Å; N436-G438 PolarHBondContact O-N 3.34Å
439	E	77.9	Confident	72.7	Confident	103 Å²	103	74 Å²	74	48%	0.481	45%	0.453	S	S	.	.			trans	-76.6	141.4	170.9	-66.5	177.1	168.1	0	0	111.1	Y427 P430 N436	Y427-E439 PolarHBondContact OH-O 3.46Å; P430-E439 WeakPolarHBondContact CD-O 3.41Å; N436-E439 VanDerWaalsContact O-CB 3.25Å; N436-E439 WeakPolarHBondContact O-CB 3.19Å; N436-E439 WeakPolarHBondContact O-CG 3.45Å; N436-E439 PolarHBondContact O-N 3.28Å
440	P	81.3	Confident	71.3	Confident	18 Å²	18	76.1 Å²	76.1	12%	0.117	46%	0.459	C	S	.	.			trans	-67.2	156.7	176.2	28.5	-33.5	0	0	0	111.4	Y427 F442 L443 Y449	Y427-P440 HydrophobicContact CD2-CB 3.73Å; Y427-P440 HydrophobicContact CD2-CG 4.5Å; Y427-P440 HydrophobicContact CE2-CB 3.63Å; Y427-P440 HydrophobicContact CE2-CG 4.26Å; P440-F442 WeakPolarHBondContact CG-O 3.23Å; P440-F442 PolarHBondContact O-N 3.45Å; P440-L443 HydrophobicContact CG-CD1 4.47Å; P440-Y449 HydrophobicContact CG-CE2 3.96Å
441	A	83.5	Confident	69.4	Low	62 Å²	62	79.6 Å²	79.6	51%	0.512	47%	0.473	S	S	.	.	S	Bend	trans	-64.1	-19.5	173	0	0	0	0	0	113.4	L428 P430	L428-A441 HydrophobicContact CB-CB 4.04Å; L428-A441 VanDerWaalsContact O-CB 3.28Å; L428-A441 WeakPolarHBondContact O-CB 3.31Å; L428-A441 PolarHBondContact O-N 3.27Å; P430-A441 HydrophobicContact CG-CB 4.21Å
442	F	83.9	Confident	67.7	Low	42 Å²	42	79.2 Å²	79.2	18%	0.184	46%	0.463	C	S	.	.			trans	-121.9	117.1	176.9	-167.2	-84.6	0	0	0	109.8	W303 C418 V421 E422 P440 C444	W303-F442 HydrophobicContact CD2-CE2 4.05Å; W303-F442 AromaticContact CD2-CZ 3.99Å; W303-F442 HydrophobicContact CD2-CZ 3.99Å; W303-F442 AromaticContact CE2-CZ 3.92Å; W303-F442 AromaticContact CE3-CE2 3.81Å; W303-F442 HydrophobicContact CE3-CE2 3.81Å; W303-F442 HydrophobicContact CE3-CZ 4.2Å; W303-F442 AromaticContact CH2-CE2 3.57Å; W303-F442 HydrophobicContact CH2-CE2 3.57Å; W303-F442 HydrophobicContact CH2-CZ 4.29Å; W303-F442 AromaticContact CZ2-CE2 3.79Å; W303-F442 HydrophobicContact CZ2-CE2 3.79Å; W303-F442 HydrophobicContact CZ2-CZ 4.06Å; W303-F442 AromaticContact CZ3-CE2 3.59Å; W303-F442 HydrophobicContact CZ3-CE2 3.59Å; W303-F442 HydrophobicContact CZ3-CZ 4.36Å; C418-F442 HydrophobicContact CB-CZ 4.41Å; C418-F442 WeakPolarHBondContact O-CE1 3.29Å; C418-F442 VanDerWaalsContact SG-CE1 3.52Å; C418-F442 WeakPolarHBondContact SG-CZ 3.35Å; V421-F442 HydrophobicContact CB-CD1 4.07Å; V421-F442 HydrophobicContact CB-CE1 3.44Å; V421-F442 VanDerWaalsContact CB-CE1 3.44Å; V421-F442 HydrophobicContact CB-CE2 4.18Å; V421-F442 HydrophobicContact CB-CZ 3.49Å; V421-F442 VanDerWaalsContact CB-CZ 3.49Å; V421-F442 HydrophobicContact CG1-CD1 3.78Å; V421-F442 HydrophobicContact CG1-CD2 3.92Å; V421-F442 HydrophobicContact CG1-CE1 3.58Å; V421-F442 HydrophobicContact CG1-CE2 3.72Å; V421-F442 HydrophobicContact CG1-CG 3.95Å; V421-F442 HydrophobicContact CG1-CZ 3.55Å; V421-F442 HydrophobicContact CG2-CE1 4.43Å; V421-F442 HydrophobicContact CG2-CZ 4.05Å; E422-F442 HydrophobicContact CB-CD1 3.96Å; E422-F442 HydrophobicContact CB-CE1 4.08Å; P440-F442 WeakPolarHBondContact CG-O 3.23Å; P440-F442 PolarHBondContact O-N 3.45Å; F442-C444 WeakPolarHBondContact CE1-SG 3.29Å
443	L	83.7	Confident	66.3	Low	53 Å²	53	80.1 Å²	80.1	28%	0.277	48%	0.475	S	S	.	.			trans	-145.2	131.2	-179.7	-174.5	68.8	0	0	0	108.9	P440 Y449	P440-L443 HydrophobicContact CG-CD1 4.47Å; L443-Y449 HydrophobicContact CD1-CD2 4.03Å; L443-Y449 HydrophobicContact CD1-CE2 4.48Å
444	C	84.8	Confident	65.3	Low	27 Å²	27	85.7 Å²	85.7	18%	0.182	48%	0.484	C	S	.	.	S	Bend	trans	-95.6	-37	-178.4	-57.8	0	0	0	0	113.7	I415 C418 T419 E422 F442	I415-C444 HydrophobicContact CD1-CB 4.2Å; C418-C444 WeakPolarHBondContact CA-SG 3.46Å; C418-C444 HydrophobicContact CB-CB 3.83Å; C418-C444 WeakPolarHBondContact CB-SG 3.41Å; C418-C444 PolarHBondContact O-SG 3.18Å; C418-C444 WeakPolarHBondContact SG-CA 3.48Å; C418-C444 WeakPolarHBondContact SG-CB 3.48Å; C418-C444 CovalentContact SG-SG 2.02Å; C418-C444 PolarHBondContact SG-SG 3.11Å; T419-C444 HydrophobicContact CG2-CB 4.39Å; T419-C444 PolarHBondContact N-SG 3.01Å; T419-C444 VanDerWaalsContact N-SG 3.39Å; E422-C444 VanDerWaalsContact OE2-CB 3.29Å; E422-C444 WeakPolarHBondContact OE2-CB 3.33Å; E422-C444 PolarHBondContact OE2-N 3.45Å; E422-C444 PolarHBondContact OE2-SG 3.02Å; E422-C444 VanDerWaalsContact OE2-SG 3.36Å; F442-C444 WeakPolarHBondContact CE1-SG 3.29Å
445	D	73.4	Confident	64.3	Low	71 Å²	71	85.8 Å²	85.8	38%	0.38	47%	0.471	S	S	.	.			trans	-145.1	133.3	177.8	-175.9	-1.7	0	0	0	108.9	S447 H448	D445-S447 PolarHBondContact O-N 3.31Å; D445-S447 PolarHBondContact OD1-N 2.94Å; D445-S447 PolarHBondContact OD1-OG 3.18Å; D445-S447 PolarHBondContact OD2-OG 3.38Å; D445-H448 PolarHBondContact O-N 2.77Å
446	E	64.7	Low	62.9	Low	138 Å²	138	89.6 Å²	89.6	65%	0.645	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-57	-29.1	174.8	-65	178.5	-177.6	0	0	111.4	H448	E446-H448 PolarHBondContact O-N 3.11Å
447	S	60.2	Low	61.3	Low	53 Å²	53	90.6 Å²	90.6	37%	0.371	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-66	-23	-178.6	81.9	0	0	0	0	113.9	D445 Y449 H450	D445-S447 PolarHBondContact O-N 3.31Å; D445-S447 PolarHBondContact OD1-N 2.94Å; D445-S447 PolarHBondContact OD1-OG 3.18Å; D445-S447 PolarHBondContact OD2-OG 3.38Å; S447-Y449 VanDerWaalsContact C-N 3.29Å; S447-Y449 PolarHBondContact O-N 3.33Å; S447-H450 PolarHBondContact O-N 3.03Å
448	H	58.3	Low	59.7	Low	58 Å²	58	91.3 Å²	91.3	27%	0.269	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-68.5	-23.6	-174.4	-67.9	149.1	0	0	0	114	E422 D445 E446	E422-H448 IonicContact OE1-ND1 3.64Å; E422-H448 IonicContact OE2-ND1 3.46Å; E422-H448 PolarHBondContact OE2-ND1 2.87Å; D445-H448 PolarHBondContact O-N 2.77Å; E446-H448 PolarHBondContact O-N 3.11Å
449	Y	52.6	Low	58	Low	126 Å²	126	95.2 Å²	95.2	49%	0.494	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-91.1	-16.3	-178.8	-107.9	-98.2	0	0	0	114.6	P440 L443 S447 H451	P440-Y449 HydrophobicContact CG-CE2 3.96Å; L443-Y449 HydrophobicContact CD1-CD2 4.03Å; L443-Y449 HydrophobicContact CD1-CE2 4.48Å; S447-Y449 VanDerWaalsContact C-N 3.29Å; S447-Y449 PolarHBondContact O-N 3.33Å; Y449-H451 VanDerWaalsContact C-N 3.28Å; Y449-H451 PolarHBondContact O-N 3.46Å
450	H	51.3	Low	56.3	Low	154 Å²	154	96.7 Å²	96.7	71%	0.713	49%	0.487	S	S	*	.	S	Bend	trans	-81	-2.6	-175	-74.9	-60	0	0	0	114.8	S447	S447-H450 PolarHBondContact O-N 3.03Å
451	H	43.5	Very low	54.6	Low	103 Å²	103	98.9 Å²	98.9	48%	0.477	50%	0.498	S	S	.	.	S	Bend	trans	-123.1	88	-175	-64.7	-46.9	0	0	0	113.6	Y449 S453 Y455	Y449-H451 VanDerWaalsContact C-N 3.28Å; Y449-H451 PolarHBondContact O-N 3.46Å; H451-S453 PolarHBondContact O-N 2.94Å; H451-Y455 HydrophobicContact CB-CD2 3.28Å; H451-Y455 HydrophobicContact CB-CE2 3.41Å; H451-Y455 VanDerWaalsContact CB-CE2 3.41Å; H451-Y455 HydrophobicContact CB-CG 4.28Å; H451-Y455 AromaticContact CD2-CE2 3.66Å; H451-Y455 AromaticContact CG-CE2 3.7Å
452	S	40.6	Very low	52.9	Low	103 Å²	103	100.2 Å²	100.2	72%	0.72	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-30.6	120.9	164.5	165.9	0	0	0	0	114.5	R454	S452-R454 PolarHBondContact O-N 3.39Å
453	S	42.4	Very low	51.1	Low	94 Å²	94	100.4 Å²	100.4	66%	0.657	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	-7.9	155.4	62.7	0	0	0	0	120.5	H451	H451-S453 PolarHBondContact O-N 2.94Å
454	R	38.3	Very low	49.6	Very low	217 Å²	217	100.4 Å²	100.4	82%	0.819	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-15.9	174.4	-76.4	-169.3	-164.2	172.7	6.8	114.5	S452 Q456	S452-R454 PolarHBondContact O-N 3.39Å; R454-Q456 PolarHBondContact O-N 2.88Å
455	Y	42.4	Very low	48.4	Very low	126 Å²	126	102 Å²	102	49%	0.494	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-78.7	-8.8	174.9	-88.1	-98	0	0	0	113.5	H451 A457	H451-Y455 HydrophobicContact CB-CD2 3.28Å; H451-Y455 HydrophobicContact CB-CE2 3.41Å; H451-Y455 VanDerWaalsContact CB-CE2 3.41Å; H451-Y455 HydrophobicContact CB-CG 4.28Å; H451-Y455 AromaticContact CD2-CE2 3.66Å; H451-Y455 AromaticContact CG-CE2 3.7Å; Y455-A457 PolarHBondContact O-N 3.46Å
456	Q	37.6	Very low	48.2	Very low	157 Å²	157	99.7 Å²	99.7	73%	0.734	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-66.1	13.2	171.7	-92.8	176.2	-11.3	0	0	115.3	R454 W460	R454-Q456 PolarHBondContact O-N 2.88Å; Q456-W460 VanDerWaalsContact CA-CZ2 3.48Å; Q456-W460 WeakPolarHBondContact O-CZ2 3.3Å
457	A	37.7	Very low	48.2	Very low	74 Å²	74	97.8 Å²	97.8	61%	0.612	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-148.5	9.2	-179.3	0	0	0	0	0	116.7	Y455 W460	Y455-A457 PolarHBondContact O-N 3.46Å; A457-W460 VanDerWaalsContact O-CD1 3.29Å; A457-W460 PolarHBondContact O-NE1 3.45Å
458	V	38.9	Very low	48.8	Very low	92 Å²	92	100.9 Å²	100.9	56%	0.558	51%	0.513	S	S	*	.	S	Bend	trans	-113.4	-9.4	-175.1	-169.2	0	0	0	0	118.8
459	Y	42	Very low	50	Low	129 Å²	129	98.7 Å²	98.7	51%	0.506	50%	0.504	S	S	.	.	S	Bend	trans	-125.8	36.2	176.9	-102.8	-86.9	0	0	0	115.5
460	W	41.9	Very low	51.7	Low	133 Å²	133	93.2 Å²	93.2	50%	0.504	48%	0.484	S	S	.	.			trans	-97.8	-2.4	177.7	-25.7	76.8	0	0	0	112.7	T423 Q456 A457 V462	T423-W460 HydrophobicContact CG2-CE3 3.94Å; T423-W460 HydrophobicContact CG2-CH2 4.04Å; T423-W460 HydrophobicContact CG2-CZ3 3.31Å; Q456-W460 VanDerWaalsContact CA-CZ2 3.48Å; Q456-W460 WeakPolarHBondContact O-CZ2 3.3Å; A457-W460 VanDerWaalsContact O-CD1 3.29Å; A457-W460 PolarHBondContact O-NE1 3.45Å; W460-V462 PolarHBondContact O-N 2.8Å
461	D	44.7	Very low	53.4	Low	65 Å²	65	86 Å²	86	35%	0.348	45%	0.45	S	S	.	.			trans	-83.2	106	175	-148.5	-15	0	0	0	106.9	N463 T464	D461-N463 PolarHBondContact O-N 3.25Å; D461-N463 WeakPolarHBondContact OD1-CB 3.23Å; D461-N463 PolarHBondContact OD1-N 3.3Å; D461-N463 VanDerWaalsContact OD1-N 3.1Å; D461-N463 PolarHBondContact OD1-ND2 3.25Å; D461-T464 HydrophobicContact CB-CG2 4.13Å; D461-T464 PolarHBondContact O-N 3Å; D461-T464 PolarHBondContact O-OG1 2.86Å
462	V	47.8	Very low	55.2	Low	90 Å²	90	81.2 Å²	81.2	55%	0.545	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-17.5	163	-169.4	0	0	0	0	110	W460 V473 S474	W460-V462 PolarHBondContact O-N 2.8Å; V462-V473 HydrophobicContact CG1-CB 4.47Å; V462-V473 HydrophobicContact CG1-CG1 4.26Å; V462-S474 PolarHBondContact O-OG 2.83Å
463	N	46.5	Very low	56.8	Low	46 Å²	46	77.4 Å²	77.4	25%	0.246	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	6.1	175.5	-41	-51.5	0	0	0	115.6	M138 D461 C465	M138-N463 HydrophobicContact SD-CB 4.2Å; D461-N463 PolarHBondContact O-N 3.25Å; D461-N463 WeakPolarHBondContact OD1-CB 3.23Å; D461-N463 PolarHBondContact OD1-N 3.3Å; D461-N463 VanDerWaalsContact OD1-N 3.1Å; D461-N463 PolarHBondContact OD1-ND2 3.25Å; N463-C465 PolarHBondContact O-N 3.44Å
464	T	52.3	Low	58.1	Low	52 Å²	52	74.6 Å²	74.6	32%	0.319	38%	0.382	S	S	.	.			trans	-65.4	110.1	167	39.6	0	0	0	0	108.3	D461 E466	D461-T464 HydrophobicContact CB-CG2 4.13Å; D461-T464 PolarHBondContact O-N 3Å; D461-T464 PolarHBondContact O-OG1 2.86Å; T464-E466 PolarHBondContact O-N 3.25Å; T464-E466 VanDerWaalsContact O-N 3.17Å
465	C	58.7	Low	60	Low	61 Å²	61	64.7 Å²	64.7	41%	0.412	35%	0.346	S	S	.	.			trans	-69.3	112.4	-178	-47.9	0	0	0	0	109.5	N463 S467 C512	N463-C465 PolarHBondContact O-N 3.44Å; C465-S467 PolarHBondContact O-N 2.92Å; C465-C512 VanDerWaalsContact CA-SG 3.54Å; C465-C512 HydrophobicContact CB-CB 3.59Å; C465-C512 WeakPolarHBondContact CB-SG 3.01Å; C465-C512 WeakPolarHBondContact SG-CA 3.44Å; C465-C512 WeakPolarHBondContact SG-CB 3.49Å; C465-C512 PolarHBondContact SG-N 3.24Å; C465-C512 VanDerWaalsContact SG-N 3.39Å; C465-C512 CovalentContact SG-SG 2.01Å; C465-C512 PolarHBondContact SG-SG 3.32Å
466	E	70.3	Confident	61.1	Low	22 Å²	22	59.1 Å²	59.1	10%	0.103	33%	0.325	C	S	.	.			trans	-60.6	135.6	166.4	-64.3	-78	-163.6	0	0	108.4	C414 S416 T464 R518	C414-E466 HydrophobicContact CB-CB 4.33Å; C414-E466 HydrophobicContact CB-CG 3.64Å; C414-E466 VanDerWaalsContact SG-CG 3.54Å; S416-E466 WeakPolarHBondContact CB-OE1 3.36Å; S416-E466 PolarHBondContact N-OE1 3.45Å; T464-E466 PolarHBondContact O-N 3.25Å; T464-E466 VanDerWaalsContact O-N 3.17Å; E466-R518 WeakPolarHBondContact O-CD 3.37Å; E466-R518 PolarHBondContact O-NE 3.46Å; E466-R518 PolarHBondContact O-NH1 3.38Å
467	S	64	Low	62.5	Low	98 Å²	98	55.5 Å²	55.5	69%	0.685	31%	0.31	S	S	*	.			trans	-96.1	-19.1	-175.9	55.4	0	0	0	0	113.2	C465	C465-S467 PolarHBondContact O-N 2.92Å
468	E	72.7	Confident	63.8	Low	118 Å²	118	55.2 Å²	55.2	55%	0.551	30%	0.297	S	S	*	.	S	Bend	trans	-88	162.4	-179.3	-61.3	-164.2	178.6	0	0	112.6	C470 R518 R522	E468-C470 PolarHBondContact O-N 3.13Å; E468-R518 WeakPolarHBondContact O-CD 3.4Å; E468-R518 PolarHBondContact O-NE 3.48Å; E468-R518 VanDerWaalsContact O-NE 3.11Å; E468-R522 IonicContact OE2-NH1 3.77Å
469	C	84.1	Confident	65.5	Low	12 Å²	12	51.4 Å²	51.4	8%	0.081	27%	0.274	C	S	.	.	S	Bend	trans	-67.9	87.8	167.2	179.6	0	0	0	0	110.1	C519 R522	C469-C519 HydrophobicContact CB-CB 3.93Å; C469-C519 WeakPolarHBondContact CB-SG 3.16Å; C469-C519 WeakPolarHBondContact SG-CA 2.97Å; C469-C519 WeakPolarHBondContact SG-CB 3.49Å; C469-C519 CovalentContact SG-SG 2.05Å; C469-C519 PolarHBondContact SG-SG 3.35Å; C469-R522 HydrophobicContact CB-CB 3.78Å; C469-R522 VanDerWaalsContact CB-CD 3.47Å; C469-R522 HydrophobicContact CB-CG 4.27Å
470	C	87.6	Confident	66.4	Low	12 Å²	12	45.7 Å²	45.7	8%	0.081	25%	0.253	C	S	.	.			trans	-148.8	157.1	170	63.1	0	0	0	0	107.5	Q412 C414 E468 L515 R518	Q412-C470 CarbonylContact O-C 3.6Å; Q412-C470 WeakPolarHBondContact O-CA 3.45Å; Q412-C470 VanDerWaalsContact O-CB 3.31Å; Q412-C470 WeakPolarHBondContact O-CB 2.77Å; C414-C470 WeakPolarHBondContact CA-SG 3.28Å; C414-C470 HydrophobicContact CB-CB 3.9Å; C414-C470 WeakPolarHBondContact CB-SG 3.03Å; C414-C470 WeakPolarHBondContact SG-CB 3.48Å; C414-C470 PolarHBondContact SG-O 3.29Å; C414-C470 CovalentContact SG-SG 2.03Å; C414-C470 PolarHBondContact SG-SG 3.46Å; E468-C470 PolarHBondContact O-N 3.13Å; C470-L515 WeakPolarHBondContact O-CD1 3.38Å; C470-R518 PolarHBondContact O-NH2 3.23Å
471	F	86.9	Confident	67.2	Low	1 Å²	1	40.7 Å²	40.7	0%	0.004	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-98.2	120.2	174.9	73.7	-86.7	0	0	0	110.1	L194 A306 L311 V411 Q412 P413 C414 W417 D475 L515	L194-F471 HydrophobicContact CD2-CE2 3.93Å; A306-F471 HydrophobicContact CB-CE2 3.73Å; A306-F471 HydrophobicContact CB-CZ 3.63Å; L311-F471 HydrophobicContact CB-CD1 4.43Å; L311-F471 HydrophobicContact CB-CE1 4.49Å; L311-F471 HydrophobicContact CD1-CB 4.17Å; L311-F471 HydrophobicContact CD1-CD1 4.05Å; L311-F471 HydrophobicContact CD1-CD2 3.81Å; L311-F471 HydrophobicContact CD1-CE1 4.4Å; L311-F471 HydrophobicContact CD1-CE2 4.18Å; L311-F471 HydrophobicContact CD1-CG 3.73Å; L311-F471 HydrophobicContact CD1-CZ 4.46Å; L311-F471 HydrophobicContact CG-CD1 3.97Å; L311-F471 HydrophobicContact CG-CD2 4.25Å; L311-F471 HydrophobicContact CG-CE1 3.9Å; L311-F471 HydrophobicContact CG-CE2 4.19Å; L311-F471 HydrophobicContact CG-CG 4.15Å; L311-F471 HydrophobicContact CG-CZ 4Å; V411-F471 HydrophobicContact CB-CD1 4.4Å; V411-F471 HydrophobicContact CG1-CB 4.22Å; V411-F471 HydrophobicContact CG1-CD1 4.1Å; V411-F471 VanDerWaalsContact O-CD1 3.23Å; V411-F471 WeakPolarHBondContact O-CD1 3.42Å; V411-F471 WeakPolarHBondContact O-CE1 3.02Å; Q412-F471 VanDerWaalsContact C-CD1 3.43Å; Q412-F471 VanDerWaalsContact C-CE1 3.43Å; Q412-F471 WeakPolarHBondContact O-CD1 3.25Å; Q412-F471 PolarHBondContact O-N 2.97Å; P413-F471 VanDerWaalsContact CA-CE1 3.46Å; P413-F471 HydrophobicContact CB-CE1 3.9Å; P413-F471 HydrophobicContact CB-CE2 4.32Å; P413-F471 HydrophobicContact CB-CZ 3.77Å; P413-F471 HydrophobicContact CG-CE1 4.48Å; C414-F471 PolarHBondContact N-O 3.47Å; W417-F471 HydrophobicContact CZ2-CD2 4.35Å; W417-F471 HydrophobicContact CZ2-CE2 4.2Å; W417-F471 AromaticContact NE1-CD2 3.73Å; W417-F471 AromaticContact NE1-CE2 3.68Å; W417-F471 PolarHBondContact NE1-O 3.05Å; F471-D475 HydrophobicContact CB-CB 4.47Å; F471-L515 HydrophobicContact CB-CD1 4.17Å; F471-L515 HydrophobicContact CB-CD2 4.05Å
472	G	81.7	Confident	67.6	Low	4 Å²	4	38.8 Å²	38.8	4%	0.041	23%	0.229	C	C	.	.			trans	-94.7	178.2	178.1	0	0	0	0	0	112.3	C414 S474 D475 S476	C414-G472 PolarHBondContact SG-N 3.42Å; C414-G472 VanDerWaalsContact SG-N 3.38Å; G472-S474 VanDerWaalsContact C-N 3.26Å; G472-S474 PolarHBondContact O-N 3.23Å; G472-D475 PolarHBondContact N-OD2 3.45Å; G472-D475 PolarHBondContact O-N 3.09Å; G472-D475 VanDerWaalsContact O-N 3.15Å; G472-S476 PolarHBondContact O-N 3.26Å
473	V	74.1	Confident	67.4	Low	22 Å²	22	38.5 Å²	38.5	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-40.7	177.7	-174.2	0	0	0	0	111.2	W417 V462 D475 S476	W417-V473 HydrophobicContact CD2-CG2 3.81Å; W417-V473 HydrophobicContact CE3-CG2 3.71Å; W417-V473 HydrophobicContact CG-CG2 4.43Å; W417-V473 HydrophobicContact CH2-CB 4.29Å; W417-V473 HydrophobicContact CH2-CG1 4.28Å; W417-V473 HydrophobicContact CH2-CG2 4.07Å; W417-V473 HydrophobicContact CZ2-CB 4.41Å; W417-V473 HydrophobicContact CZ2-CG2 4.18Å; W417-V473 HydrophobicContact CZ3-CB 4.43Å; W417-V473 HydrophobicContact CZ3-CG1 4.35Å; W417-V473 HydrophobicContact CZ3-CG2 3.8Å; V462-V473 HydrophobicContact CG1-CB 4.47Å; V462-V473 HydrophobicContact CG1-CG1 4.26Å; V473-D475 VanDerWaalsContact C-N 3.33Å; V473-D475 PolarHBondContact O-N 3.13Å; V473-S476 WeakPolarHBondContact O-CB 3.35Å; V473-S476 PolarHBondContact O-N 3.16Å; V473-S476 PolarHBondContact O-OG 3.22Å
474	S	70.9	Confident	67	Low	36 Å²	36	41 Å²	41	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-67.2	-30.2	178.5	-77.1	0	0	0	0	113.7	V462 G472 S476 I477	V462-S474 PolarHBondContact O-OG 2.83Å; G472-S474 VanDerWaalsContact C-N 3.26Å; G472-S474 PolarHBondContact O-N 3.23Å; S474-S476 VanDerWaalsContact C-N 3.29Å; S474-S476 PolarHBondContact O-N 2.03Å; S474-I477 PolarHBondContact O-N 3.38Å
475	D	76.4	Confident	66.2	Low	9 Å²	9	41.4 Å²	41.4	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-68.7	-29.6	176	-60.5	-62.8	0	0	0	111.7	F471 G472 V473 I477 L478 L479 R518	F471-D475 HydrophobicContact CB-CB 4.47Å; G472-D475 PolarHBondContact N-OD2 3.45Å; G472-D475 PolarHBondContact O-N 3.09Å; G472-D475 VanDerWaalsContact O-N 3.15Å; V473-D475 VanDerWaalsContact C-N 3.33Å; V473-D475 PolarHBondContact O-N 3.13Å; D475-I477 PolarHBondContact O-N 3.1Å; D475-L478 CarbonylContact O-C 3.24Å; D475-L478 PolarHBondContact O-N 2.87Å; D475-L479 VanDerWaalsContact O-CB 3.32Å; D475-L479 WeakPolarHBondContact O-CB 3.3Å; D475-L479 WeakPolarHBondContact O-CG 3.44Å; D475-L479 PolarHBondContact O-N 3.43Å; D475-R518 VanDerWaalsContact CG-NH2 3.34Å; D475-R518 IonicContact OD1-NH2 3.89Å; D475-R518 PolarHBondContact OD1-NH2 2.94Å; D475-R518 IonicContact OD2-CZ 3.84Å; D475-R518 IonicContact OD2-NH1 3.77Å; D475-R518 IonicContact OD2-NH2 2.89Å; D475-R518 PolarHBondContact OD2-NH2 3.24Å
476	S	67.1	Low	65.3	Low	8 Å²	8	48.6 Å²	48.6	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-36.8	179.4	71.8	0	0	0	0	112.9	R193 G472 V473 S474	R193-S476 WeakPolarHBondContact O-CB 3.49Å; G472-S476 PolarHBondContact O-N 3.26Å; V473-S476 WeakPolarHBondContact O-CB 3.35Å; V473-S476 PolarHBondContact O-N 3.16Å; V473-S476 PolarHBondContact O-OG 3.22Å; S474-S476 VanDerWaalsContact C-N 3.29Å; S474-S476 PolarHBondContact O-N 2.03Å
477	I	65.8	Low	63.8	Low	82 Å²	82	55.4 Å²	55.4	42%	0.421	30%	0.296	S	S	.	.	H	α-helix	trans	-73.4	-44.8	176.6	-58.4	174.9	0	0	0	109.6	S474 D475 L479 S480 V481	S474-I477 PolarHBondContact O-N 3.38Å; D475-I477 PolarHBondContact O-N 3.1Å; I477-L479 VanDerWaalsContact C-N 3.35Å; I477-L479 PolarHBondContact O-N 2.89Å; I477-S480 PolarHBondContact O-N 2.97Å; I477-S480 VanDerWaalsContact O-N 3.15Å; I477-S480 PolarHBondContact O-OG 3.18Å; I477-V481 PolarHBondContact O-N 2.86Å
478	L	66.3	Low	62.7	Low	67 Å²	67	55.4 Å²	55.4	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-67.2	-33.7	-179.6	-64.7	174.5	0	0	0	112.9	D475 S480 V481	D475-L478 CarbonylContact O-C 3.24Å; D475-L478 PolarHBondContact O-N 2.87Å; L478-S480 PolarHBondContact O-N 2.93Å; L478-V481 CarbonylContact O-C 3.58Å; L478-V481 PolarHBondContact O-N 2.82Å; L478-V481 VanDerWaalsContact O-N 3.13Å
479	L	73.2	Confident	61.1	Low	12 Å²	12	58.4 Å²	58.4	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-28.8	174.5	-75	172	0	0	0	111.8	R183 P195 Y198 L311 Y313 D475 I477 L515	R183-L479 VanDerWaalsContact CG-O 3.29Å; R183-L479 WeakPolarHBondContact CG-O 3.47Å; P195-L479 HydrophobicContact CG-CB 4.16Å; Y198-L479 HydrophobicContact CE2-CB 4.05Å; Y198-L479 HydrophobicContact CE2-CD2 3.89Å; Y198-L479 HydrophobicContact CE2-CG 4.4Å; L311-L479 HydrophobicContact CD1-CD1 3.46Å; L311-L479 VanDerWaalsContact CD1-CD1 3.46Å; Y313-L479 HydrophobicContact CD2-CD2 3.84Å; Y313-L479 HydrophobicContact CE2-CD2 3.44Å; Y313-L479 VanDerWaalsContact CE2-CD2 3.44Å; D475-L479 VanDerWaalsContact O-CB 3.32Å; D475-L479 WeakPolarHBondContact O-CB 3.3Å; D475-L479 WeakPolarHBondContact O-CG 3.44Å; D475-L479 PolarHBondContact O-N 3.43Å; I477-L479 VanDerWaalsContact C-N 3.35Å; I477-L479 PolarHBondContact O-N 2.89Å; L479-L515 HydrophobicContact CD1-CD2 4.35Å; L479-L515 HydrophobicContact CD2-CD2 4.07Å
480	S	61.4	Low	58.5	Low	9 Å²	9	60.3 Å²	60.3	6%	0.063	31%	0.306	C	S	.	.	H	α-helix	trans	-83.5	-21.5	174.5	74.2	0	0	0	0	113.9	Q184 R187 I477 L478	Q184-S480 WeakPolarHBondContact CG-O 3.43Å; R187-S480 VanDerWaalsContact NH2-CB 3.3Å; I477-S480 PolarHBondContact O-N 2.97Å; I477-S480 VanDerWaalsContact O-N 3.15Å; I477-S480 PolarHBondContact O-OG 3.18Å; L478-S480 PolarHBondContact O-N 2.93Å
481	V	58.9	Low	55.9	Low	29 Å²	29	64 Å²	64	18%	0.176	33%	0.328	C	S	.	.			trans	-131.8	94.7	-178.7	-175.7	0	0	0	0	109.2	M155 I477 L478 I483	M155-V481 HydrophobicContact CE-CG2 3.95Å; M155-V481 HydrophobicContact SD-CG2 4.01Å; I477-V481 PolarHBondContact O-N 2.86Å; L478-V481 CarbonylContact O-C 3.58Å; L478-V481 PolarHBondContact O-N 2.82Å; L478-V481 VanDerWaalsContact O-N 3.13Å; V481-I483 HydrophobicContact CG1-CG1 4.26Å; V481-I483 PolarHBondContact O-N 2.9Å
482	S	53.3	Low	53.5	Low	24 Å²	24	68.7 Å²	68.7	17%	0.168	36%	0.361	C	S	.	.			trans	-74.4	94.1	168.9	48	0	0	0	0	109.1	I228 L230 P484	I228-S482 WeakPolarHBondContact CG2-OG 3.47Å; L230-S482 WeakPolarHBondContact CD2-OG 3.5Å; S482-P484 VanDerWaalsContact O-CD 3.26Å; S482-P484 WeakPolarHBondContact O-CD 3.23Å
483	I	43.2	Very low	51.3	Low	84 Å²	84	72.9 Å²	72.9	43%	0.431	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-64.8	116	158.6	-59.2	175.2	0	0	0	105.3	V481 D485	V481-I483 HydrophobicContact CG1-CG1 4.26Å; V481-I483 PolarHBondContact O-N 2.9Å; I483-D485 PolarHBondContact O-N 3.23Å
484	P	37.8	Very low	49.3	Very low	98 Å²	98	75.4 Å²	75.4	64%	0.636	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-61.2	117.5	173.5	23.2	-29.8	0	0	0	108	S482 K486	S482-P484 VanDerWaalsContact O-CD 3.26Å; S482-P484 WeakPolarHBondContact O-CD 3.23Å; P484-K486 PolarHBondContact O-N 3.28Å
485	D	36.4	Very low	47.5	Very low	62 Å²	62	76.6 Å²	76.6	33%	0.332	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-63.9	126.4	176.8	-144.1	-17.5	0	0	0	108	I483 K487 Q488 H514	I483-D485 PolarHBondContact O-N 3.23Å; D485-K487 PolarHBondContact O-N 2.86Å; D485-Q488 HydrophobicContact CB-CG 4.25Å; D485-Q488 PolarHBondContact O-N 3.28Å; D485-H514 IonicContact OD2-CD2 3.58Å; D485-H514 PolarHBondContact OD2-CD2 2.71Å; D485-H514 IonicContact OD2-NE2 3.53Å
486	K	38.2	Very low	45.5	Very low	212 Å²	212	79.3 Å²	79.3	92%	0.922	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-4.6	-179.4	-89.6	-174.7	174.1	-173.4	0	113.2	P484	P484-K486 PolarHBondContact O-N 3.28Å
487	K	40.4	Very low	43.8	Very low	164 Å²	164	84.2 Å²	84.2	71%	0.713	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2.1	176.2	-68.2	-174.2	176.6	-177.6	0	114.8	D485 Y489 S490	D485-K487 PolarHBondContact O-N 2.86Å; K487-Y489 PolarHBondContact O-N 2.91Å; K487-S490 PolarHBondContact O-N 3.35Å; K487-S490 PolarHBondContact O-OG 3.46Å
488	Q	40.5	Very low	42.2	Very low	98 Å²	98	83 Å²	83	46%	0.458	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	9.4	-177.2	-89.9	-176.9	6	0	0	116.6	D485	D485-Q488 HydrophobicContact CB-CG 4.25Å; D485-Q488 PolarHBondContact O-N 3.28Å
489	Y	38.2	Very low	40.8	Very low	182 Å²	182	86.4 Å²	86.4	71%	0.714	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.1	16.6	179.2	-63.4	-75.3	0	0	0	114.9	K487	K487-Y489 PolarHBondContact O-N 2.91Å
490	S	30.1	Very low	39	Very low	52 Å²	52	90.7 Å²	90.7	36%	0.364	48%	0.482	S	S	.	.	S	Bend	trans	-80.1	125.7	166.8	48	0	0	0	0	109.7	K487	K487-S490 PolarHBondContact O-N 3.35Å; K487-S490 PolarHBondContact O-OG 3.46Å
491	T	33.1	Very low	37.6	Very low	90 Å²	90	94.2 Å²	94.2	55%	0.552	51%	0.507	S	S	*	.			trans	-44.7	147.3	178.9	24.5	0	0	0	0	113.1	T493 D494	T491-T493 PolarHBondContact O-N 2.69Å; T491-D494 WeakPolarHBondContact O-CB 3.24Å; T491-D494 PolarHBondContact O-N 2.99Å; T491-D494 PolarHBondContact OG1-OD2 3.4Å
492	S	36.8	Very low	36.4	Very low	98 Å²	98	98 Å²	98	69%	0.685	53%	0.526	S	S	*	.	H	α-helix	trans	-51.4	-22.7	-177.1	-36.9	0	0	0	0	114.2
493	T	34.4	Very low	35.6	Very low	93 Å²	93	102.7 Å²	102.7	57%	0.571	55%	0.554	S	S	*	*	H	α-helix	trans	-74	-33.8	176.1	-14.6	0	0	0	0	113.3	T491 I495 L497	T491-T493 PolarHBondContact O-N 2.69Å; T493-I495 VanDerWaalsContact C-N 3.35Å; T493-L497 HydrophobicContact CG2-CD1 4.44Å; T493-L497 WeakPolarHBondContact O-CB 3.35Å; T493-L497 WeakPolarHBondContact O-CD1 3.46Å; T493-L497 WeakPolarHBondContact O-CG 3.36Å; T493-L497 PolarHBondContact O-N 3.42Å; T493-L497 VanDerWaalsContact O-N 3.09Å
494	D	32.1	Very low	34.9	Very low	75 Å²	75	105.4 Å²	105.4	40%	0.401	57%	0.569	S	S	.	*	H	α-helix	trans	-74.6	-29.4	179.4	-63.7	-40.4	0	0	0	111.9	T491 S498	T491-D494 WeakPolarHBondContact O-CB 3.24Å; T491-D494 PolarHBondContact O-N 2.99Å; T491-D494 PolarHBondContact OG1-OD2 3.4Å; D494-S498 VanDerWaalsContact O-CB 3.29Å; D494-S498 WeakPolarHBondContact O-CB 3.21Å; D494-S498 PolarHBondContact O-N 2.9Å; D494-S498 PolarHBondContact O-OG 3.14Å
495	I	34.3	Very low	34.5	Very low	61 Å²	61	110.3 Å²	110.3	31%	0.313	58%	0.58	S	S	.	*	H	α-helix	trans	-60.5	-60.5	172.6	-66.1	178.8	0	0	0	107.4	T493 L497 S498 Y499	T493-I495 VanDerWaalsContact C-N 3.35Å; I495-L497 VanDerWaalsContact C-N 3.34Å; I495-L497 PolarHBondContact O-N 3.28Å; I495-S498 PolarHBondContact O-N 3.11Å; I495-S498 PolarHBondContact O-OG 2.8Å; I495-Y499 VanDerWaalsContact C-CD2 3.44Å; I495-Y499 HydrophobicContact CB-CE2 4.36Å; I495-Y499 HydrophobicContact CG2-CD2 3.74Å; I495-Y499 HydrophobicContact CG2-CE2 3.46Å; I495-Y499 VanDerWaalsContact CG2-CE2 3.46Å; I495-Y499 WeakPolarHBondContact O-CD2 3.48Å; I495-Y499 PolarHBondContact O-N 2.98Å
496	V	33.7	Very low	34.2	Very low	66 Å²	66	111.5 Å²	111.5	40%	0.4	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-35.2	-178.5	-178.2	0	0	0	0	113.8	I322 Y499 S500	I322-V496 HydrophobicContact CD1-CG2 4.29Å; V496-Y499 PolarHBondContact O-N 2.85Å; V496-S500 PolarHBondContact O-N 3.17Å; V496-S500 VanDerWaalsContact O-N 3.16Å
497	L	31.9	Very low	33.8	Very low	110 Å²	110	106.7 Å²	106.7	58%	0.576	59%	0.586	S	S	*	*	H	α-helix	trans	-74.8	-33.8	179.2	-74	167.2	0	0	0	113.4	T493 I495 Y499 S501	T493-L497 HydrophobicContact CG2-CD1 4.44Å; T493-L497 WeakPolarHBondContact O-CB 3.35Å; T493-L497 WeakPolarHBondContact O-CD1 3.46Å; T493-L497 WeakPolarHBondContact O-CG 3.36Å; T493-L497 PolarHBondContact O-N 3.42Å; T493-L497 VanDerWaalsContact O-N 3.09Å; I495-L497 VanDerWaalsContact C-N 3.34Å; I495-L497 PolarHBondContact O-N 3.28Å; L497-Y499 VanDerWaalsContact C-N 3.32Å; L497-S501 PolarHBondContact O-OG 2.74Å
498	S	32.7	Very low	33.5	Very low	57 Å²	57	105.5 Å²	105.5	40%	0.399	59%	0.588	S	S	.	*	H	α-helix	trans	-70.4	-30.2	169.1	59.3	0	0	0	0	112	D494 I495	D494-S498 VanDerWaalsContact O-CB 3.29Å; D494-S498 WeakPolarHBondContact O-CB 3.21Å; D494-S498 PolarHBondContact O-N 2.9Å; D494-S498 PolarHBondContact O-OG 3.14Å; I495-S498 PolarHBondContact O-N 3.11Å; I495-S498 PolarHBondContact O-OG 2.8Å
499	Y	37	Very low	33.4	Very low	139 Å²	139	106.6 Å²	106.6	55%	0.545	60%	0.597	S	S	.	*	H	α-helix	trans	-77	-18.6	177.5	-75.5	-64.5	0	0	0	115	I495 V496 L497	I495-Y499 VanDerWaalsContact C-CD2 3.44Å; I495-Y499 HydrophobicContact CB-CE2 4.36Å; I495-Y499 HydrophobicContact CG2-CD2 3.74Å; I495-Y499 HydrophobicContact CG2-CE2 3.46Å; I495-Y499 VanDerWaalsContact CG2-CE2 3.46Å; I495-Y499 WeakPolarHBondContact O-CD2 3.48Å; I495-Y499 PolarHBondContact O-N 2.98Å; V496-Y499 PolarHBondContact O-N 2.85Å; L497-Y499 VanDerWaalsContact C-N 3.32Å
500	S	34.6	Very low	33.6	Very low	101 Å²	101	102.6 Å²	102.6	71%	0.706	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-3.1	178.7	-73.9	0	0	0	0	115.1	V496	V496-S500 PolarHBondContact O-N 3.17Å; V496-S500 VanDerWaalsContact O-N 3.16Å
501	S	32.4	Very low	34.7	Very low	83 Å²	83	104.9 Å²	104.9	58%	0.58	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.2	-5.5	-175	56.9	0	0	0	0	116.4	L497	L497-S501 PolarHBondContact O-OG 2.74Å
502	D	33.2	Very low	35.8	Very low	109 Å²	109	103 Å²	103	58%	0.583	59%	0.594	S	S	*	*			trans	-118.3	26.3	-178.6	-75.9	-33.8	0	0	0	114.6	D504	D502-D504 PolarHBondContact O-N 3.31Å
503	V	35.7	Very low	37	Very low	123 Å²	123	100.6 Å²	100.6	75%	0.745	58%	0.577	S	S	*	*	S	Bend	trans	-72.9	-10.8	171.8	179.2	0	0	0	0	112.2
504	D	28.8	Very low	38.8	Very low	140 Å²	140	99.5 Å²	99.5	75%	0.749	57%	0.565	S	S	*	*	S	Bend	trans	-134.2	106.8	174.6	-78.3	-48.2	0	0	0	111.1	D502	D502-D504 PolarHBondContact O-N 3.31Å
505	K	29	Very low	41.1	Very low	201 Å²	201	96.3 Å²	96.3	87%	0.874	55%	0.548	S	S	*	.			trans	99.6	39.9	164.8	-53.9	171.5	178.9	167.8	0	119.8	S507	K505-S507 PolarHBondContact O-N 2.89Å
506	S	30.2	Very low	43.2	Very low	87 Å²	87	97 Å²	97	61%	0.608	55%	0.547	S	S	*	.			trans	-83.5	105.3	152.1	171.8	0	0	0	0	109.8	D508	S506-D508 PolarHBondContact O-N 2.03Å
507	S	30	Very low	45.1	Very low	111 Å²	111	96.2 Å²	96.2	78%	0.776	54%	0.54	S	S	*	.			trans	-81.3	16	174.6	55.8	0	0	0	0	113.8	K505 N509	K505-S507 PolarHBondContact O-N 2.89Å; S507-N509 PolarHBondContact O-N 3.29Å
508	D	35.3	Very low	47.4	Very low	140 Å²	140	91.4 Å²	91.4	75%	0.749	52%	0.515	S	S	*	.			trans	-92.5	92.7	-178.8	-76.8	-12.8	0	0	0	110.5	S506 D510	S506-D508 PolarHBondContact O-N 2.03Å; D508-D510 PolarHBondContact O-N 3.13Å
509	N	37.2	Very low	49.7	Very low	121 Å²	121	88.7 Å²	88.7	65%	0.647	50%	0.496	S	S	*	.			trans	-92.3	22.6	-163.5	-127.4	-15	0	0	0	114.6	R134 S507	R134-N509 PolarHBondContact NH2-ND2 2.91Å; S507-N509 PolarHBondContact O-N 3.29Å
510	D	42.6	Very low	51.5	Low	97 Å²	97	83 Å²	83	52%	0.519	47%	0.474	S	S	.	.			trans	-149.2	29.8	-164.5	-95	-28.5	0	0	0	116.8	D508	D508-D510 PolarHBondContact O-N 3.13Å
511	S	53.3	Low	53.3	Low	100 Å²	100	84.2 Å²	84.2	70%	0.699	47%	0.469	S	S	*	.			trans	-129.1	104.9	176.8	161.4	0	0	0	0	110.6	S513	S511-S513 PolarHBondContact O-N 2.89Å; S511-S513 VanDerWaalsContact O-N 3.15Å
512	C	56.3	Low	55.1	Low	52 Å²	52	85.9 Å²	85.9	35%	0.351	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-53.4	123.2	169.2	-61	0	0	0	0	109.5	C465 H514	C465-C512 VanDerWaalsContact CA-SG 3.54Å; C465-C512 HydrophobicContact CB-CB 3.59Å; C465-C512 WeakPolarHBondContact CB-SG 3.01Å; C465-C512 WeakPolarHBondContact SG-CA 3.44Å; C465-C512 WeakPolarHBondContact SG-CB 3.49Å; C465-C512 PolarHBondContact SG-N 3.24Å; C465-C512 VanDerWaalsContact SG-N 3.39Å; C465-C512 CovalentContact SG-SG 2.01Å; C465-C512 PolarHBondContact SG-SG 3.32Å; C512-H514 PolarHBondContact O-N 2.95Å
513	S	61.7	Low	56.7	Low	47 Å²	47	83.8 Å²	83.8	33%	0.329	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-58.8	134.1	167.7	50.5	0	0	0	0	109.1	S511 R518	S511-S513 PolarHBondContact O-N 2.89Å; S511-S513 VanDerWaalsContact O-N 3.15Å; S513-R518 WeakPolarHBondContact OG-CD 3.23Å; S513-R518 WeakPolarHBondContact OG-CG 3.47Å
514	H	72.6	Confident	58.1	Low	70 Å²	70	81.2 Å²	81.2	32%	0.324	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-59.5	151.3	178.3	-78.2	-71.7	0	0	0	110.4	D485 C512 R516 D517 R518	D485-H514 IonicContact OD2-CD2 3.58Å; D485-H514 PolarHBondContact OD2-CD2 2.71Å; D485-H514 IonicContact OD2-NE2 3.53Å; C512-H514 PolarHBondContact O-N 2.95Å; H514-R516 PolarHBondContact O-N 3.24Å; H514-D517 PolarHBondContact N-OD2 3.36Å; H514-D517 WeakPolarHBondContact O-CB 3.31Å; H514-D517 PolarHBondContact O-N 3.14Å; H514-R518 PolarHBondContact O-N 3.03Å; H514-R518 VanDerWaalsContact O-N 3.13Å
515	L	80.1	Confident	59.6	Low	7 Å²	7	76.9 Å²	76.9	4%	0.037	41%	0.41	C	S	.	.	H	α-helix	trans	-47.3	-41.1	178.2	-178.2	62.2	0	0	0	112.8	Y313 V411 C470 F471 L479 D517 R518 C519	Y313-L515 HydrophobicContact CD2-CD2 4.23Å; Y313-L515 HydrophobicContact CE2-CD2 4.27Å; Y313-L515 HydrophobicContact CG-CD2 4.47Å; V411-L515 HydrophobicContact CG1-CD1 4.12Å; C470-L515 WeakPolarHBondContact O-CD1 3.38Å; F471-L515 HydrophobicContact CB-CD1 4.17Å; F471-L515 HydrophobicContact CB-CD2 4.05Å; L479-L515 HydrophobicContact CD1-CD2 4.35Å; L479-L515 HydrophobicContact CD2-CD2 4.07Å; L515-D517 PolarHBondContact O-N 3Å; L515-R518 PolarHBondContact O-N 3.37Å; L515-C519 WeakPolarHBondContact O-CB 3.15Å; L515-C519 PolarHBondContact O-N 3.31Å; L515-C519 PolarHBondContact O-SG 3.07Å
516	R	78.5	Confident	61	Low	75 Å²	75	71.2 Å²	71.2	28%	0.283	39%	0.392	S	S	.	.	H	α-helix	trans	-54.3	-51.8	174.5	-178.7	-177	176.6	-170.3	-0.2	111.6	Y313 L315 D319 H514 R518 C519 L520	Y313-R516 HydrophobicContact CE1-CB 4.33Å; L315-R516 HydrophobicContact CD2-CG 4.21Å; D319-R516 IonicContact OD1-NH2 3.72Å; D319-R516 IonicContact OD2-CZ 3.79Å; D319-R516 IonicContact OD2-NE 3.79Å; D319-R516 IonicContact OD2-NH2 2.74Å; D319-R516 PolarHBondContact OD2-NH2 3.43Å; H514-R516 PolarHBondContact O-N 3.24Å; R516-R518 PolarHBondContact O-N 3.47Å; R516-C519 PolarHBondContact O-N 3.26Å; R516-L520 HydrophobicContact CG-CD1 3.84Å; R516-L520 HydrophobicContact CG-CG 4.29Å; R516-L520 WeakPolarHBondContact O-CB 3.36Å; R516-L520 VanDerWaalsContact O-CG 3.32Å; R516-L520 WeakPolarHBondContact O-CG 3.48Å; R516-L520 PolarHBondContact O-N 3.2Å
517	D	74.1	Confident	62.1	Low	50 Å²	50	72.2 Å²	72.2	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-64.7	-42.3	-175.7	-55.1	-26.3	0	0	0	111.1	H514 L515 C519 L520 H521	H514-D517 PolarHBondContact N-OD2 3.36Å; H514-D517 WeakPolarHBondContact O-CB 3.31Å; H514-D517 PolarHBondContact O-N 3.14Å; L515-D517 PolarHBondContact O-N 3Å; D517-C519 VanDerWaalsContact C-N 3.29Å; D517-C519 PolarHBondContact O-N 3.39Å; D517-L520 PolarHBondContact O-N 3.17Å; D517-H521 WeakPolarHBondContact O-CB 3.34Å; D517-H521 PolarHBondContact O-N 3.41Å
518	R	80.2	Confident	62.7	Low	9 Å²	9	71.8 Å²	71.8	3%	0.034	37%	0.373	C	S	.	.	H	α-helix	trans	-60.8	-41.2	175.8	-61.6	-162.8	-55.3	-127.6	-8.8	112	E466 E468 C470 D475 S513 H514 L515 R516 R522	E466-R518 WeakPolarHBondContact O-CD 3.37Å; E466-R518 PolarHBondContact O-NE 3.46Å; E466-R518 PolarHBondContact O-NH1 3.38Å; E468-R518 WeakPolarHBondContact O-CD 3.4Å; E468-R518 PolarHBondContact O-NE 3.48Å; E468-R518 VanDerWaalsContact O-NE 3.11Å; C470-R518 PolarHBondContact O-NH2 3.23Å; D475-R518 VanDerWaalsContact CG-NH2 3.34Å; D475-R518 IonicContact OD1-NH2 3.89Å; D475-R518 PolarHBondContact OD1-NH2 2.94Å; D475-R518 IonicContact OD2-CZ 3.84Å; D475-R518 IonicContact OD2-NH1 3.77Å; D475-R518 IonicContact OD2-NH2 2.89Å; D475-R518 PolarHBondContact OD2-NH2 3.24Å; S513-R518 WeakPolarHBondContact OG-CD 3.23Å; S513-R518 WeakPolarHBondContact OG-CG 3.47Å; H514-R518 PolarHBondContact O-N 3.03Å; H514-R518 VanDerWaalsContact O-N 3.13Å; L515-R518 PolarHBondContact O-N 3.37Å; R516-R518 PolarHBondContact O-N 3.47Å; R518-R522 PolarHBondContact O-N 2.84Å
519	C	81.7	Confident	63.1	Low	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-71.6	-44.5	178.6	-71.6	0	0	0	0	113.1	L315 C469 L515 R516 D517 H521 R522 F523	L315-C519 HydrophobicContact CD1-CB 4.14Å; L315-C519 HydrophobicContact CD2-CB 4.31Å; C469-C519 HydrophobicContact CB-CB 3.93Å; C469-C519 WeakPolarHBondContact CB-SG 3.16Å; C469-C519 WeakPolarHBondContact SG-CA 2.97Å; C469-C519 WeakPolarHBondContact SG-CB 3.49Å; C469-C519 CovalentContact SG-SG 2.05Å; C469-C519 PolarHBondContact SG-SG 3.35Å; L515-C519 WeakPolarHBondContact O-CB 3.15Å; L515-C519 PolarHBondContact O-N 3.31Å; L515-C519 PolarHBondContact O-SG 3.07Å; R516-C519 PolarHBondContact O-N 3.26Å; D517-C519 VanDerWaalsContact C-N 3.29Å; D517-C519 PolarHBondContact O-N 3.39Å; C519-H521 VanDerWaalsContact C-N 3.32Å; C519-H521 PolarHBondContact O-N 3.33Å; C519-R522 PolarHBondContact O-N 2.84Å; C519-F523 HydrophobicContact CB-CD2 4.46Å; C519-F523 HydrophobicContact CB-CE2 4.35Å; C519-F523 WeakPolarHBondContact O-CD2 3.26Å; C519-F523 PolarHBondContact O-N 3.14Å
520	L	74.8	Confident	63.1	Low	19 Å²	19	65.4 Å²	65.4	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-57.4	-45.3	173.2	-70.8	176.2	0	0	0	111.7	L315 D319 L320 R516 D517 R522 F523 L524	L315-L520 HydrophobicContact CD2-CD2 4.41Å; L315-L520 HydrophobicContact CD2-CG 4.47Å; D319-L520 HydrophobicContact CB-CD1 3.96Å; D319-L520 HydrophobicContact CB-CD2 3.49Å; D319-L520 VanDerWaalsContact CB-CD2 3.49Å; D319-L520 HydrophobicContact CB-CG 4.37Å; L320-L520 HydrophobicContact CD2-CD2 4.41Å; L320-L520 HydrophobicContact CG-CD2 4.39Å; R516-L520 HydrophobicContact CG-CD1 3.84Å; R516-L520 HydrophobicContact CG-CG 4.29Å; R516-L520 WeakPolarHBondContact O-CB 3.36Å; R516-L520 VanDerWaalsContact O-CG 3.32Å; R516-L520 WeakPolarHBondContact O-CG 3.48Å; R516-L520 PolarHBondContact O-N 3.2Å; D517-L520 PolarHBondContact O-N 3.17Å; L520-R522 PolarHBondContact O-N 3.41Å; L520-F523 PolarHBondContact O-N 3.26Å; L520-L524 WeakPolarHBondContact O-CB 3.37Å; L520-L524 VanDerWaalsContact O-CG 3.29Å; L520-L524 WeakPolarHBondContact O-CG 3.35Å; L520-L524 PolarHBondContact O-N 3.4Å
521	H	70.9	Confident	62.8	Low	127 Å²	127	64.3 Å²	64.3	59%	0.588	34%	0.342	S	S	*	.	H	α-helix	trans	-56.9	-48.1	177	-178.4	-89.8	0	0	0	112.2	D517 C519 L524 S525	D517-H521 WeakPolarHBondContact O-CB 3.34Å; D517-H521 PolarHBondContact O-N 3.41Å; C519-H521 VanDerWaalsContact C-N 3.32Å; C519-H521 PolarHBondContact O-N 3.33Å; H521-L524 PolarHBondContact O-N 3.37Å; H521-S525 WeakPolarHBondContact O-CB 3.39Å; H521-S525 PolarHBondContact O-N 3.15Å; H521-S525 PolarHBondContact O-OG 2.72Å
522	R	70	Confident	62.2	Low	118 Å²	118	64 Å²	64	45%	0.445	33%	0.332	S	S	.	.	H	α-helix	trans	-63.5	-42.9	178.5	-173.5	179.8	-175.9	140.2	4.5	112.3	E468 C469 R518 C519 L520 S525 V526	E468-R522 IonicContact OE2-NH1 3.77Å; C469-R522 HydrophobicContact CB-CB 3.78Å; C469-R522 VanDerWaalsContact CB-CD 3.47Å; C469-R522 HydrophobicContact CB-CG 4.27Å; R518-R522 PolarHBondContact O-N 2.84Å; C519-R522 PolarHBondContact O-N 2.84Å; L520-R522 PolarHBondContact O-N 3.41Å; R522-S525 WeakPolarHBondContact CA-OG 3.2Å; R522-S525 PolarHBondContact O-N 3.21Å; R522-S525 PolarHBondContact O-OG 3.07Å; R522-V526 VanDerWaalsContact O-CG2 3.27Å; R522-V526 WeakPolarHBondContact O-CG2 3.4Å; R522-V526 PolarHBondContact O-N 3.44Å; R522-V526 VanDerWaalsContact O-N 3.13Å
523	F	67.5	Low	61.2	Low	65 Å²	65	64.4 Å²	64.4	29%	0.285	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-41.9	179.9	-77.3	-66.3	0	0	0	111.4	L315 L320 V409 C519 L520 H527	L315-F523 HydrophobicContact CD1-CD2 3.56Å; L315-F523 HydrophobicContact CD1-CE2 3.5Å; L320-F523 HydrophobicContact CD2-CB 3.45Å; L320-F523 VanDerWaalsContact CD2-CB 3.45Å; L320-F523 HydrophobicContact CD2-CD1 4.43Å; L320-F523 HydrophobicContact CD2-CD2 4Å; L320-F523 HydrophobicContact CD2-CG 3.72Å; V409-F523 HydrophobicContact CB-CE2 4.22Å; V409-F523 HydrophobicContact CB-CZ 3.96Å; V409-F523 HydrophobicContact CG1-CE2 4.11Å; V409-F523 HydrophobicContact CG1-CZ 3.86Å; V409-F523 HydrophobicContact CG2-CE2 4.08Å; V409-F523 HydrophobicContact CG2-CZ 4.31Å; C519-F523 HydrophobicContact CB-CD2 4.46Å; C519-F523 HydrophobicContact CB-CE2 4.35Å; C519-F523 WeakPolarHBondContact O-CD2 3.26Å; C519-F523 PolarHBondContact O-N 3.14Å; L520-F523 PolarHBondContact O-N 3.26Å; F523-H527 PolarHBondContact O-CD2 3.47Å; F523-H527 PolarHBondContact O-N 3.39Å
524	L	65.6	Low	60.1	Low	70 Å²	70	66.9 Å²	66.9	37%	0.366	35%	0.345	S	S	.	.	H	α-helix	trans	-67.8	-38.6	176.7	-66.8	172.8	0	0	0	112.5	L520 H521 H527 H528	L520-L524 WeakPolarHBondContact O-CB 3.37Å; L520-L524 VanDerWaalsContact O-CG 3.29Å; L520-L524 WeakPolarHBondContact O-CG 3.35Å; L520-L524 PolarHBondContact O-N 3.4Å; H521-L524 PolarHBondContact O-N 3.37Å; L524-H527 PolarHBondContact O-N 2.93Å; L524-H528 PolarHBondContact O-N 3Å
525	S	61	Low	58.3	Low	48 Å²	48	71.2 Å²	71.2	34%	0.336	36%	0.364	S	S	.	.	H	α-helix	trans	-68.6	-35.6	179.9	68.2	0	0	0	0	113.1	H521 R522 H527 H528 S529	H521-S525 WeakPolarHBondContact O-CB 3.39Å; H521-S525 PolarHBondContact O-N 3.15Å; H521-S525 PolarHBondContact O-OG 2.72Å; R522-S525 WeakPolarHBondContact CA-OG 3.2Å; R522-S525 PolarHBondContact O-N 3.21Å; R522-S525 PolarHBondContact O-OG 3.07Å; S525-H527 VanDerWaalsContact C-N 3.33Å; S525-H528 PolarHBondContact O-N 2.98Å; S525-S529 PolarHBondContact O-N 3.22Å; S525-S529 PolarHBondContact O-OG 2.92Å
526	V	57.9	Low	56.3	Low	82 Å²	82	75.2 Å²	75.2	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-64.6	-39.6	176.5	171.6	0	0	0	0	110.9	R522 H528 S529 S530	R522-V526 VanDerWaalsContact O-CG2 3.27Å; R522-V526 WeakPolarHBondContact O-CG2 3.4Å; R522-V526 PolarHBondContact O-N 3.44Å; R522-V526 VanDerWaalsContact O-N 3.13Å; V526-H528 VanDerWaalsContact C-N 3.33Å; V526-H528 PolarHBondContact O-N 3.35Å; V526-S529 PolarHBondContact O-N 2.9Å; V526-S530 PolarHBondContact O-N 3Å; V526-S530 VanDerWaalsContact O-N 3.15Å; V526-S530 PolarHBondContact O-OG 2.96Å
527	H	51.8	Low	54.3	Low	109 Å²	109	76.1 Å²	76.1	51%	0.505	41%	0.41	S	S	.	.	H	α-helix	trans	-66	-33	176.4	-79.8	-64.8	0	0	0	113.2	F523 L524 S525 S530 L531	F523-H527 PolarHBondContact O-CD2 3.47Å; F523-H527 PolarHBondContact O-N 3.39Å; L524-H527 PolarHBondContact O-N 2.93Å; S525-H527 VanDerWaalsContact C-N 3.33Å; H527-S530 PolarHBondContact O-OG 3.1Å; H527-L531 PolarHBondContact O-N 2.8Å
528	H	43.9	Very low	52.4	Low	101 Å²	101	80.1 Å²	80.1	47%	0.468	43%	0.43	S	S	.	.	H	α-helix	trans	-68.3	-41.3	175.4	-162.2	-98	0	0	0	111.9	L524 S525 V526 L531 I532	L524-H528 PolarHBondContact O-N 3Å; S525-H528 PolarHBondContact O-N 2.98Å; V526-H528 VanDerWaalsContact C-N 3.33Å; V526-H528 PolarHBondContact O-N 3.35Å; H528-L531 PolarHBondContact O-N 3.02Å; H528-I532 WeakPolarHBondContact CE1-CD1 3.09Å; H528-I532 WeakPolarHBondContact ND1-CD1 3.37Å; H528-I532 WeakPolarHBondContact O-CG1 3.44Å; H528-I532 PolarHBondContact O-N 3.17Å; H528-I532 VanDerWaalsContact O-N 3.17Å
529	S	42.5	Very low	50	Low	79 Å²	79	85.9 Å²	85.9	55%	0.552	47%	0.466	S	S	*	.	H	α-helix	trans	-68.2	-35.7	179.4	-61.2	0	0	0	0	113.2	S525 V526 A533	S525-S529 PolarHBondContact O-N 3.22Å; S525-S529 PolarHBondContact O-OG 2.92Å; V526-S529 PolarHBondContact O-N 2.9Å; S529-A533 WeakPolarHBondContact O-CB 3.42Å; S529-A533 PolarHBondContact O-N 3.1Å; S529-A533 VanDerWaalsContact O-N 3.14Å
530	S	39.2	Very low	47.7	Very low	48 Å²	48	91.3 Å²	91.3	34%	0.336	50%	0.501	S	S	.	.	H	α-helix	trans	-67.5	-34.8	176.3	52.8	0	0	0	0	112.9	V526 H527 E534	V526-S530 PolarHBondContact O-N 3Å; V526-S530 VanDerWaalsContact O-N 3.15Å; V526-S530 PolarHBondContact O-OG 2.96Å; H527-S530 PolarHBondContact O-OG 3.1Å; S530-E534 PolarHBondContact O-N 3.43Å
531	L	36.1	Very low	45.4	Very low	74 Å²	74	98 Å²	98	39%	0.387	54%	0.537	S	S	.	.	H	α-helix	trans	-73	-40.7	177.4	-71.7	169.1	0	0	0	111.7	L324 H527 H528 A533 E534 F535	L324-L531 HydrophobicContact CD1-CD1 4.5Å; H527-L531 PolarHBondContact O-N 2.8Å; H528-L531 PolarHBondContact O-N 3.02Å; L531-A533 VanDerWaalsContact C-N 3.3Å; L531-A533 PolarHBondContact O-N 3.23Å; L531-E534 PolarHBondContact O-N 2.91Å; L531-F535 WeakPolarHBondContact O-CD2 3.49Å; L531-F535 PolarHBondContact O-N 2.91Å; L531-F535 VanDerWaalsContact O-N 3.11Å
532	I	39.4	Very low	43.6	Very low	95 Å²	95	100.1 Å²	100.1	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-65.8	-34.2	177.5	-66.5	174.3	0	0	0	111.7	H528 F535 S536	H528-I532 WeakPolarHBondContact CE1-CD1 3.09Å; H528-I532 WeakPolarHBondContact ND1-CD1 3.37Å; H528-I532 WeakPolarHBondContact O-CG1 3.44Å; H528-I532 PolarHBondContact O-N 3.17Å; H528-I532 VanDerWaalsContact O-N 3.17Å; I532-F535 PolarHBondContact O-N 3.45Å; I532-S536 WeakPolarHBondContact O-CB 3Å; I532-S536 PolarHBondContact O-N 2.91Å; I532-S536 PolarHBondContact O-OG 2.85Å
533	A	36	Very low	41.6	Very low	60 Å²	60	100.5 Å²	100.5	50%	0.496	56%	0.563	S	S	.	*	H	α-helix	trans	-67.3	-34	175.7	0	0	0	0	0	112.9	S529 L531 S536	S529-A533 WeakPolarHBondContact O-CB 3.42Å; S529-A533 PolarHBondContact O-N 3.1Å; S529-A533 VanDerWaalsContact O-N 3.14Å; L531-A533 VanDerWaalsContact C-N 3.3Å; L531-A533 PolarHBondContact O-N 3.23Å; A533-S536 PolarHBondContact O-OG 3.04Å
534	E	37.5	Very low	39.8	Very low	99 Å²	99	103.1 Å²	103.1	46%	0.463	59%	0.589	S	S	.	*	H	α-helix	trans	-72.5	-38.4	174.1	-85.2	-178.7	152.3	0	0	112.3	I341 S530 L531 S537	I341-E534 VanDerWaalsContact CD1-OE1 3.23Å; I341-E534 WeakPolarHBondContact CD1-OE1 2.98Å; S530-E534 PolarHBondContact O-N 3.43Å; L531-E534 PolarHBondContact O-N 2.91Å; E534-S537 PolarHBondContact O-OG 3.27Å
535	F	36.5	Very low	38	Very low	161 Å²	161	105 Å²	105	71%	0.706	61%	0.608	S	S	*	*	H	α-helix	trans	-76.3	-21.5	179.1	-79.3	-73.2	0	0	0	114.7	L531 I532	L531-F535 WeakPolarHBondContact O-CD2 3.49Å; L531-F535 PolarHBondContact O-N 2.91Å; L531-F535 VanDerWaalsContact O-N 3.11Å; I532-F535 PolarHBondContact O-N 3.45Å
536	S	37	Very low	36.6	Very low	91 Å²	91	111 Å²	111	64%	0.636	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-4.7	179.3	48.2	0	0	0	0	114.5	I532 A533	I532-S536 WeakPolarHBondContact O-CB 3Å; I532-S536 PolarHBondContact O-N 2.91Å; I532-S536 PolarHBondContact O-OG 2.85Å; A533-S536 PolarHBondContact O-OG 3.04Å
537	S	36.1	Very low	35.1	Very low	94 Å²	94	116.7 Å²	116.7	66%	0.657	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100	1.8	179	69.8	0	0	0	0	114.7	E534	E534-S537 PolarHBondContact O-OG 3.27Å
538	I	34.5	Very low	34.2	Very low	134 Å²	134	120.4 Å²	120.4	69%	0.687	66%	0.657	S	S	*	*			trans	-124.7	64.6	-177.7	-47.4	175.5	0	0	0	110
539	V	30.8	Very low	33.4	Very low	129 Å²	129	122.5 Å²	122.5	78%	0.782	67%	0.672	S	S	*	*			trans	-138.9	105.7	155.4	-176.2	0	0	0	0	107.7
540	P	32.9	Very low	32.9	Very low	114 Å²	114	128.8 Å²	128.8	74%	0.74	69%	0.685	S	S	*	*			trans	-74.5	131.7	171	8.8	4.5	0	0	0	109.9	Q542	P540-Q542 PolarHBondContact O-N 2.89Å; P540-Q542 VanDerWaalsContact O-N 3.16Å
541	D	27	Very low	32.6	Very low	159 Å²	159	133 Å²	133	85%	0.85	70%	0.704	S	S	*	*			trans	-41.1	114.5	158.6	-104.1	-32.7	0	0	0	110.7
542	Q	32.8	Very low	32.1	Very low	172 Å²	172	138.4 Å²	138.4	80%	0.804	72%	0.724	S	S	*	*			trans	-167.7	114.1	150	-108.6	162.9	66.1	0	0	111.6	P540	P540-Q542 PolarHBondContact O-N 2.89Å; P540-Q542 VanDerWaalsContact O-N 3.16Å
543	T	28.6	Very low	31.6	Very low	126 Å²	126	140.3 Å²	140.3	77%	0.773	74%	0.736	S	S	*	*			trans	64.5	97	143.1	61.1	0	0	0	0	118.3
544	S	29.9	Very low	31.4	Very low	120 Å²	120	146.3 Å²	146.3	84%	0.839	75%	0.753	S	S	*	*				175.4	107.3	103.4	49.8	0	0	0	0	110.4	K546	S544-K546 PolarHBondContact O-N 3.48Å
545	S	26.9	Very low	31	Very low	109 Å²	109	146.4 Å²	146.4	76%	0.762	77%	0.765	S	S	*	*			trans	-59.8	123.4	157.1	55.9	0	0	0	0	109.4
546	K	30.6	Very low	30.8	Very low	174 Å²	174	144.9 Å²	144.9	76%	0.757	76%	0.764	S	S	*	*			trans	160.2	123.2	140.1	-93.9	169.9	179.7	176.6	0	111.3	S544	S544-K546 PolarHBondContact O-N 3.48Å
547	Y	28.2	Very low	30.4	Very low	202 Å²	202	150.1 Å²	150.1	79%	0.792	77%	0.77	S	S	*	*			trans	67.8	110.7	171	-53	-79.8	0	0	0	113.2
548	F	31.2	Very low	30.4	Very low	187 Å²	187	154.1 Å²	154.1	82%	0.82	78%	0.782	S	S	*	*				-149.9	113.5	70	-91.5	-94.7	0	0	0	110.7	Y550	F548-Y550 HydrophobicContact CD1-CD2 4.15Å; F548-Y550 HydrophobicContact CE1-CD2 4.43Å
549	N	28.1	Very low	30.3	Very low	145 Å²	145	153.2 Å²	153.2	78%	0.775	78%	0.779	S	S	*	*			trans	-106.2	117.5	153	-152.3	15.1	0	0	0	103.7
550	Y	31.2	Very low	30.2	Very low	212 Å²	212	151.9 Å²	151.9	83%	0.831	78%	0.775	S	S	*	*			trans	-135.6	123.6	167.8	-113.4	-79.8	0	0	0	109.8	F548	F548-Y550 HydrophobicContact CD1-CD2 4.15Å; F548-Y550 HydrophobicContact CE1-CD2 4.43Å
551	D	32.7	Very low	30.2	Very low	137 Å²	137	155.8 Å²	155.8	73%	0.733	78%	0.78	S	S	*	*			trans	-68.9	154.3	-167.2	-73.4	-59.7	0	0	0	115.5
552	F	27.5	Very low	30.3	Very low	186 Å²	186	155.3 Å²	155.3	82%	0.816	78%	0.778	S	S	*	*	S	Bend	trans	-5.1	140.9	133.8	-113.7	-104.8	0	0	0	118.2
553	N	27.5	Very low	30.2	Very low	136 Å²	136	157.1 Å²	157.1	73%	0.727	78%	0.784	S	S	*	*			trans	69.1	100.5	158.3	-72	-18.5	0	0	0	118.8
554	Q	31.7	Very low	30.2	Very low	185 Å²	185	155.1 Å²	155.1	86%	0.864	78%	0.775	S	S	*	*				-160.3	109.5	128	-116.6	168.9	46.1	0	0	113.1
555	S	28.8	Very low	30.2	Very low	101 Å²	101	155.7 Å²	155.7	71%	0.706	77%	0.768	S	S	*	*			trans	-48.5	132.7	147.3	50.3	0	0	0	0	111.2
556	N	33.1	Very low	30.3	Very low	130 Å²	130	161.5 Å²	161.5	70%	0.695	78%	0.775	S	S	*	*			trans	-174.9	117.5	136	-95.6	-31.7	0	0	0	112.9
557	R	28.6	Very low	30.4	Very low	200 Å²	200	162.2 Å²	162.2	76%	0.755	78%	0.781	S	S	*	*			trans	43.7	106.2	133.6	-73.6	175.6	169.2	169.2	-1.4	118.3
558	I	36.3	Very low	30.6	Very low	179 Å²	179	157.2 Å²	157.2	92%	0.918	78%	0.776	S	S	*	*			trans	-116	121.1	132.9	-63.8	179.3	0	0	0	107.6
559	N	32.5	Very low	30.6	Very low	115 Å²	115	155.6 Å²	155.6	62%	0.615	78%	0.775	S	S	*	*			trans	-86.9	150.1	-171.2	-80.7	-36.4	0	0	0	112.6
560	S	28.3	Very low	30.8	Very low	101 Å²	101	153.5 Å²	153.5	71%	0.706	77%	0.771	S	S	*	*			trans	64.9	112.5	133.6	75.5	0	0	0	0	119.9
561	K	32.2	Very low	31.3	Very low	195 Å²	195	148.2 Å²	148.2	85%	0.848	76%	0.763	S	S	*	*				171.7	123	92.4	-94.9	177.5	179.1	172.5	0	110.7
562	N	29.6	Very low	31.7	Very low	149 Å²	149	144.2 Å²	144.2	80%	0.797	75%	0.749	S	S	*	*			trans	1	124.4	152	-58.6	-14.2	0	0	0	117.9
563	F	30.9	Very low	32.3	Very low	211 Å²	211	141.4 Å²	141.4	93%	0.925	74%	0.741	S	S	*	*			trans	-140.2	105.5	130.5	-117.5	-87.6	0	0	0	108.6
564	S	28.4	Very low	33	Very low	84 Å²	84	141.9 Å²	141.9	59%	0.587	74%	0.739	S	S	*	*			trans	-67.2	169.2	162.8	46.1	0	0	0	0	110.5
565	D	30.6	Very low	33.6	Very low	132 Å²	132	140.5 Å²	140.5	71%	0.706	73%	0.73	S	S	*	*			trans	94.5	97.4	168.1	-48.8	-27.1	0	0	0	114.4
566	Y	28.8	Very low	34.5	Very low	230 Å²	230	141.1 Å²	141.1	90%	0.902	72%	0.724	S	S	*	*				-175.4	83.8	116.1	-100.5	-77	0	0	0	109.1
567	H	33.2	Very low	35.3	Very low	189 Å²	189	140 Å²	140	88%	0.875	72%	0.719	S	S	*	*			trans	-76.1	123.9	151.9	-101.2	-76	0	0	0	107.9
568	S	31.4	Very low	36.4	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	71%	0.705	S	S	*	*			trans	149	99.5	141.5	57.9	0	0	0	0	111.3
569	L	31.6	Very low	37.7	Very low	153 Å²	153	130 Å²	130	80%	0.801	69%	0.686	S	S	*	*			trans	-163.2	74.6	143.7	-128.9	83.8	0	0	0	110.1
570	S	32.7	Very low	39.3	Very low	100 Å²	100	127.3 Å²	127.3	70%	0.699	68%	0.676	S	S	*	*			trans	-127	98.9	161.9	-178.9	0	0	0	0	105.8
571	P	40.5	Very low	41	Very low	102 Å²	102	129 Å²	129	66%	0.662	67%	0.671	S	S	*	*	S	Bend		-140.1	1	103.9	18.6	3.9	0	0	0	114.3
572	A	42	Very low	42.8	Very low	52 Å²	52	128.3 Å²	128.3	43%	0.43	66%	0.663	S	S	.	*	H	α-helix	trans	-71.8	-37.1	-175.4	0	0	0	0	0	113	H574 K575 I576	A572-H574 VanDerWaalsContact C-N 3.34Å; A572-H574 PolarHBondContact O-N 3.19Å; A572-K575 PolarHBondContact O-N 2.04Å; A572-I576 PolarHBondContact O-N 3.25Å
573	L	39.8	Very low	45	Very low	127 Å²	127	125.6 Å²	125.6	67%	0.665	65%	0.647	S	S	*	*	H	α-helix	trans	-64.5	-35.6	177.4	-90.7	106.1	0	0	0	112.8	K575 I576 D577	L573-K575 PolarHBondContact O-N 3.49Å; L573-I576 PolarHBondContact O-N 3.46Å; L573-D577 PolarHBondContact O-N 3.48Å
574	H	41.1	Very low	46.9	Very low	147 Å²	147	120.2 Å²	120.2	68%	0.681	63%	0.627	S	S	*	*	H	α-helix	trans	-68.8	-21.9	177.5	-109	-64.7	0	0	0	113.8	A572	A572-H574 VanDerWaalsContact C-N 3.34Å; A572-H574 PolarHBondContact O-N 3.19Å
575	K	45.6	Very low	49.1	Very low	156 Å²	156	121.1 Å²	121.1	68%	0.678	63%	0.625	S	S	*	*	H	α-helix	trans	-82.6	-29.2	177.9	-142.7	175	-173.6	179.6	0	111.9	A572 L573 I579	A572-K575 PolarHBondContact O-N 2.04Å; L573-K575 PolarHBondContact O-N 3.49Å; K575-I579 WeakPolarHBondContact O-CG1 3.41Å; K575-I579 PolarHBondContact O-N 2.85Å
576	I	46.4	Very low	51.4	Low	113 Å²	113	120.1 Å²	120.1	58%	0.579	62%	0.619	S	S	*	*	H	α-helix	trans	-69.8	-40.4	177.7	-66.3	169.6	0	0	0	110.4	A572 L573 S578 I579 S580	A572-I576 PolarHBondContact O-N 3.25Å; L573-I576 PolarHBondContact O-N 3.46Å; I576-S578 PolarHBondContact O-N 2.84Å; I576-I579 PolarHBondContact O-N 3.36Å; I576-S580 PolarHBondContact O-N 2.88Å; I576-S580 VanDerWaalsContact O-N 3.08Å
577	D	51.6	Low	53.7	Low	108 Å²	108	113.5 Å²	113.5	58%	0.578	60%	0.598	S	S	*	*	H	α-helix	trans	-64.2	-38	176.2	-77.6	-17.8	0	0	0	113	L573 I579 S580 F581	L573-D577 PolarHBondContact O-N 3.48Å; D577-I579 VanDerWaalsContact C-N 3.32Å; D577-I579 PolarHBondContact O-N 2.93Å; D577-S580 PolarHBondContact O-N 3.17Å; D577-F581 PolarHBondContact O-N 2.99Å
578	S	51.5	Low	55.8	Low	66 Å²	66	107.7 Å²	107.7	46%	0.462	58%	0.579	S	S	.	*	H	α-helix	trans	-65.3	-33.7	176.9	169.3	0	0	0	0	113.1	I576 R582	I576-S578 PolarHBondContact O-N 2.84Å; S578-R582 PolarHBondContact O-N 3.06Å
579	I	62.8	Low	58.1	Low	101 Å²	101	109.7 Å²	109.7	52%	0.518	58%	0.575	S	S	.	*	H	α-helix	trans	-76.6	-43.3	-179.6	-68.1	167.9	0	0	0	109.3	K575 I576 D577 F581 R582 I583	K575-I579 WeakPolarHBondContact O-CG1 3.41Å; K575-I579 PolarHBondContact O-N 2.85Å; I576-I579 PolarHBondContact O-N 3.36Å; D577-I579 VanDerWaalsContact C-N 3.32Å; D577-I579 PolarHBondContact O-N 2.93Å; I579-F581 VanDerWaalsContact C-N 3.34Å; I579-F581 PolarHBondContact O-N 2.84Å; I579-R582 PolarHBondContact O-N 2.94Å; I579-I583 HydrophobicContact CG2-CD1 4.02Å; I579-I583 WeakPolarHBondContact O-CG1 3.3Å; I579-I583 PolarHBondContact O-N 3.2Å; I579-I583 VanDerWaalsContact O-N 3.13Å
580	S	66.9	Low	60.5	Low	59 Å²	59	106 Å²	106	41%	0.413	56%	0.559	S	S	.	*	H	α-helix	trans	-57.4	-45.6	176.1	-170.9	0	0	0	0	111.8	I576 D577 R582 I583 I584	I576-S580 PolarHBondContact O-N 2.88Å; I576-S580 VanDerWaalsContact O-N 3.08Å; D577-S580 PolarHBondContact O-N 3.17Å; S580-R582 VanDerWaalsContact C-N 3.34Å; S580-R582 PolarHBondContact O-N 3.35Å; S580-I583 PolarHBondContact O-N 3.34Å; S580-I584 WeakPolarHBondContact O-CG1 3.4Å; S580-I584 PolarHBondContact O-N 2.76Å
581	F	62.7	Low	62.7	Low	136 Å²	136	106.1 Å²	106.1	60%	0.596	55%	0.552	S	S	*	*	H	α-helix	trans	-65	-35	-179.5	-148.7	-86	0	0	0	113.5	D577 I579 L585	D577-F581 PolarHBondContact O-N 2.99Å; I579-F581 VanDerWaalsContact C-N 3.34Å; I579-F581 PolarHBondContact O-N 2.84Å; F581-L585 HydrophobicContact CD1-CD1 3.88Å; F581-L585 HydrophobicContact CD1-CG 4.32Å; F581-L585 HydrophobicContact CE1-CD1 3.98Å; F581-L585 HydrophobicContact CE1-CG 4.3Å; F581-L585 PolarHBondContact O-N 3.29Å; F581-L585 VanDerWaalsContact O-N 3.11Å
582	R	70.2	Confident	64.5	Low	182 Å²	182	108 Å²	108	69%	0.687	55%	0.551	S	S	*	*	H	α-helix	trans	-68.1	-39.2	175	-78.4	-176.6	176.7	-124	3.1	111.9	S578 I579 S580 L585 I586	S578-R582 PolarHBondContact O-N 3.06Å; I579-R582 PolarHBondContact O-N 2.94Å; S580-R582 VanDerWaalsContact C-N 3.34Å; S580-R582 PolarHBondContact O-N 3.35Å; R582-L585 PolarHBondContact O-N 3.21Å; R582-I586 VanDerWaalsContact O-CG1 3.3Å; R582-I586 WeakPolarHBondContact O-CG1 3.27Å; R582-I586 PolarHBondContact O-N 2.02Å; R582-I586 VanDerWaalsContact O-N 3.12Å
583	I	75.6	Confident	66.4	Low	91 Å²	91	109 Å²	109	47%	0.467	55%	0.549	S	S	.	.	H	α-helix	trans	-65	-44.6	177	-66.7	171.2	0	0	0	110.1	I579 S580 L585 I586 I587	I579-I583 HydrophobicContact CG2-CD1 4.02Å; I579-I583 WeakPolarHBondContact O-CG1 3.3Å; I579-I583 PolarHBondContact O-N 3.2Å; I579-I583 VanDerWaalsContact O-N 3.13Å; S580-I583 PolarHBondContact O-N 3.34Å; I583-L585 PolarHBondContact O-N 2.83Å; I583-I586 PolarHBondContact O-N 3Å; I583-I587 HydrophobicContact CG2-CD1 3.78Å; I583-I587 HydrophobicContact CG2-CG1 4.45Å; I583-I587 WeakPolarHBondContact O-CG1 3.24Å; I583-I587 PolarHBondContact O-N 2.82Å
584	I	72.5	Confident	68.3	Low	98 Å²	98	110 Å²	110	50%	0.503	55%	0.548	S	S	.	.	H	α-helix	trans	-59.9	-43.6	177.7	-66.8	166.2	0	0	0	111.5	S580 I586 I587 S588	S580-I584 WeakPolarHBondContact O-CG1 3.4Å; S580-I584 PolarHBondContact O-N 2.76Å; I584-I586 PolarHBondContact O-N 3.12Å; I584-I587 PolarHBondContact O-N 3.48Å; I584-S588 WeakPolarHBondContact O-CB 3.2Å; I584-S588 PolarHBondContact O-N 3.38Å
585	L	74.2	Confident	70.1	Confident	103 Å²	103	107.5 Å²	107.5	54%	0.539	54%	0.539	S	S	.	.	H	α-helix	trans	-64.7	-38	177	-84.3	169.1	0	0	0	113.1	F581 R582 I583 S588 F589	F581-L585 HydrophobicContact CD1-CD1 3.88Å; F581-L585 HydrophobicContact CD1-CG 4.32Å; F581-L585 HydrophobicContact CE1-CD1 3.98Å; F581-L585 HydrophobicContact CE1-CG 4.3Å; F581-L585 PolarHBondContact O-N 3.29Å; F581-L585 VanDerWaalsContact O-N 3.11Å; R582-L585 PolarHBondContact O-N 3.21Å; I583-L585 PolarHBondContact O-N 2.83Å; L585-S588 PolarHBondContact O-N 3.36Å; L585-F589 WeakPolarHBondContact O-CB 2.98Å; L585-F589 PolarHBondContact O-N 2.68Å
586	I	78.9	Confident	71.7	Confident	112 Å²	112	107.9 Å²	107.9	57%	0.574	54%	0.536	S	S	*	.	H	α-helix	trans	-65.4	-45.7	176.4	-68.4	167.1	0	0	0	110	R582 I583 I584 S588 F589 T590	R582-I586 VanDerWaalsContact O-CG1 3.3Å; R582-I586 WeakPolarHBondContact O-CG1 3.27Å; R582-I586 PolarHBondContact O-N 2.02Å; R582-I586 VanDerWaalsContact O-N 3.12Å; I583-I586 PolarHBondContact O-N 3Å; I584-I586 PolarHBondContact O-N 3.12Å; I586-S588 VanDerWaalsContact C-N 3.34Å; I586-S588 PolarHBondContact O-N 2.93Å; I586-F589 PolarHBondContact O-N 3.15Å; I586-T590 HydrophobicContact CG2-CG2 4.44Å; I586-T590 WeakPolarHBondContact O-CG2 3.46Å; I586-T590 PolarHBondContact O-N 3.29Å; I586-T590 PolarHBondContact O-OG1 2.96Å; I586-T590 VanDerWaalsContact O-OG1 3.09Å
587	I	77.4	Confident	73.4	Confident	90 Å²	90	106.9 Å²	106.9	46%	0.462	53%	0.531	S	S	.	.	H	α-helix	trans	-62.6	-40.9	177.9	-65.3	168.4	0	0	0	111.2	I583 I584 T590 L591	I583-I587 HydrophobicContact CG2-CD1 3.78Å; I583-I587 HydrophobicContact CG2-CG1 4.45Å; I583-I587 WeakPolarHBondContact O-CG1 3.24Å; I583-I587 PolarHBondContact O-N 2.82Å; I584-I587 PolarHBondContact O-N 3.48Å; I587-T590 WeakPolarHBondContact CA-OG1 3.27Å; I587-T590 PolarHBondContact O-OG1 2.89Å; I587-L591 HydrophobicContact CG2-CD1 4.04Å; I587-L591 WeakPolarHBondContact O-CB 3.22Å; I587-L591 WeakPolarHBondContact O-CG 3.17Å; I587-L591 PolarHBondContact O-N 2.67Å; I587-L591 VanDerWaalsContact O-N 3.07Å
588	S	75.7	Confident	74.8	Confident	68 Å²	68	106.6 Å²	106.6	48%	0.476	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-44.2	177.3	179.9	0	0	0	0	112	I584 L585 I586 L591 H592	I584-S588 WeakPolarHBondContact O-CB 3.2Å; I584-S588 PolarHBondContact O-N 3.38Å; L585-S588 PolarHBondContact O-N 3.36Å; I586-S588 VanDerWaalsContact C-N 3.34Å; I586-S588 PolarHBondContact O-N 2.93Å; S588-L591 PolarHBondContact O-N 3.38Å; S588-H592 PolarHBondContact O-N 3.46Å
589	F	80.7	Confident	75.9	Confident	139 Å²	139	108.1 Å²	108.1	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-67.6	-39.9	179.5	-173.6	-103.7	0	0	0	112.4	L585 I586 H592 I593	L585-F589 WeakPolarHBondContact O-CB 2.98Å; L585-F589 PolarHBondContact O-N 2.68Å; I586-F589 PolarHBondContact O-N 3.15Å; F589-H592 PolarHBondContact O-N 3.15Å; F589-I593 HydrophobicContact CD1-CD1 3.83Å; F589-I593 HydrophobicContact CE1-CD1 3.24Å; F589-I593 HydrophobicContact CE1-CG1 4.19Å; F589-I593 HydrophobicContact CE2-CD1 4.45Å; F589-I593 HydrophobicContact CZ-CD1 3.61Å; F589-I593 HydrophobicContact CZ-CG1 4.29Å; F589-I593 PolarHBondContact O-N 3.47Å
590	T	80.7	Confident	76.7	Confident	76 Å²	76	106.3 Å²	106.3	47%	0.466	52%	0.52	S	S	.	.	H	α-helix	trans	-65.8	-40.1	176	52.8	0	0	0	0	111.8	I586 I587 I593 F594	I586-T590 HydrophobicContact CG2-CG2 4.44Å; I586-T590 WeakPolarHBondContact O-CG2 3.46Å; I586-T590 PolarHBondContact O-N 3.29Å; I586-T590 PolarHBondContact O-OG1 2.96Å; I586-T590 VanDerWaalsContact O-OG1 3.09Å; I587-T590 WeakPolarHBondContact CA-OG1 3.27Å; I587-T590 PolarHBondContact O-OG1 2.89Å; T590-I593 PolarHBondContact O-N 3.05Å; T590-F594 WeakPolarHBondContact O-CB 3.46Å; T590-F594 PolarHBondContact O-N 3.19Å
591	L	79.8	Confident	77.2	Confident	103 Å²	103	109.7 Å²	109.7	54%	0.539	53%	0.529	S	S	.	.	H	α-helix	trans	-62.4	-41.2	173.8	-76.6	168.8	0	0	0	112.1	I587 S588 F594 I595	I587-L591 HydrophobicContact CG2-CD1 4.04Å; I587-L591 WeakPolarHBondContact O-CB 3.22Å; I587-L591 WeakPolarHBondContact O-CG 3.17Å; I587-L591 PolarHBondContact O-N 2.67Å; I587-L591 VanDerWaalsContact O-N 3.07Å; S588-L591 PolarHBondContact O-N 3.38Å; L591-F594 PolarHBondContact O-N 2.73Å; L591-I595 VanDerWaalsContact O-CG1 3.31Å; L591-I595 WeakPolarHBondContact O-CG1 3.1Å; L591-I595 PolarHBondContact O-N 3.38Å
592	H	77.4	Confident	77.9	Confident	140 Å²	140	106.1 Å²	106.1	65%	0.648	52%	0.518	S	S	*	.	H	α-helix	trans	-65.4	-42.8	178.4	-126.5	59.4	0	0	0	112.6	S588 F589 F594 I595 W596	S588-H592 PolarHBondContact O-N 3.46Å; F589-H592 PolarHBondContact O-N 3.15Å; H592-F594 VanDerWaalsContact C-N 3.31Å; H592-F594 PolarHBondContact O-N 2.68Å; H592-I595 PolarHBondContact O-N 3.4Å; H592-W596 WeakPolarHBondContact O-CB 3.24Å; H592-W596 PolarHBondContact O-N 3.49Å
593	I	82.4	Confident	78.1	Confident	74 Å²	74	102.6 Å²	102.6	38%	0.379	51%	0.512	S	S	.	.	H	α-helix	trans	-62	-41.6	173.6	-73.3	-179.3	0	0	0	110.7	F589 T590 I595 W596 L597	F589-I593 HydrophobicContact CD1-CD1 3.83Å; F589-I593 HydrophobicContact CE1-CD1 3.24Å; F589-I593 HydrophobicContact CE1-CG1 4.19Å; F589-I593 HydrophobicContact CE2-CD1 4.45Å; F589-I593 HydrophobicContact CZ-CD1 3.61Å; F589-I593 HydrophobicContact CZ-CG1 4.29Å; F589-I593 PolarHBondContact O-N 3.47Å; T590-I593 PolarHBondContact O-N 3.05Å; I593-I595 PolarHBondContact O-N 3.45Å; I593-W596 PolarHBondContact O-N 2.67Å; I593-L597 HydrophobicContact CG2-CD1 3.68Å; I593-L597 HydrophobicContact CG2-CG 4.22Å; I593-L597 WeakPolarHBondContact O-CB 3.42Å; I593-L597 WeakPolarHBondContact O-CG 3.14Å; I593-L597 PolarHBondContact O-N 3.11Å
594	F	80.2	Confident	78.1	Confident	147 Å²	147	103.2 Å²	103.2	65%	0.645	52%	0.516	S	S	*	.	H	α-helix	trans	-63.8	-42.7	-179.9	-155.6	-88.5	0	0	0	111.8	T590 L591 H592 H598	T590-F594 WeakPolarHBondContact O-CB 3.46Å; T590-F594 PolarHBondContact O-N 3.19Å; L591-F594 PolarHBondContact O-N 2.73Å; H592-F594 VanDerWaalsContact C-N 3.31Å; H592-F594 PolarHBondContact O-N 2.68Å; F594-H598 WeakPolarHBondContact O-CB 3.21Å; F594-H598 PolarHBondContact O-N 2.02Å
595	I	78.9	Confident	78.1	Confident	96 Å²	96	105.6 Å²	105.6	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-64.1	-42.2	174.8	-66.8	165	0	0	0	110.9	L591 H592 I593 H598 N599	L591-I595 VanDerWaalsContact O-CG1 3.31Å; L591-I595 WeakPolarHBondContact O-CG1 3.1Å; L591-I595 PolarHBondContact O-N 3.38Å; H592-I595 PolarHBondContact O-N 3.4Å; I593-I595 PolarHBondContact O-N 3.45Å; I595-H598 PolarHBondContact O-N 3.24Å; I595-N599 PolarHBondContact O-N 3.12Å
596	W	79.8	Confident	77.9	Confident	164 Å²	164	104.3 Å²	104.3	62%	0.621	51%	0.514	S	S	*	.	H	α-helix	trans	-65.6	-43.9	179	-174.5	79	0	0	0	112.3	H592 I593 N599 I600	H592-W596 WeakPolarHBondContact O-CB 3.24Å; H592-W596 PolarHBondContact O-N 3.49Å; I593-W596 PolarHBondContact O-N 2.67Å; W596-N599 PolarHBondContact O-N 3.42Å; W596-I600 HydrophobicContact CD2-CD1 3.76Å; W596-I600 HydrophobicContact CE3-CD1 3.72Å; W596-I600 HydrophobicContact CH2-CD1 3.32Å; W596-I600 HydrophobicContact CZ2-CD1 3.35Å; W596-I600 HydrophobicContact CZ3-CD1 3.5Å; W596-I600 VanDerWaalsContact CZ3-CD1 3.5Å; W596-I600 PolarHBondContact O-N 3.12Å
597	L	82.2	Confident	77.5	Confident	92 Å²	92	103.4 Å²	103.4	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-42.2	174.4	-76.3	169.5	0	0	0	111.7	I593 N599 I600 Q601	I593-L597 HydrophobicContact CG2-CD1 3.68Å; I593-L597 HydrophobicContact CG2-CG 4.22Å; I593-L597 WeakPolarHBondContact O-CB 3.42Å; I593-L597 WeakPolarHBondContact O-CG 3.14Å; I593-L597 PolarHBondContact O-N 3.11Å; L597-N599 VanDerWaalsContact C-N 3.34Å; L597-N599 PolarHBondContact O-N 3.1Å; L597-I600 PolarHBondContact O-N 3.36Å; L597-Q601 WeakPolarHBondContact O-CB 3.28Å; L597-Q601 PolarHBondContact O-N 3.05Å
598	H	79.5	Confident	77.2	Confident	102 Å²	102	105.8 Å²	105.8	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-43.1	175.6	-174.5	-82.2	0	0	0	111.4	F594 I595 I600 Q601 V602	F594-H598 WeakPolarHBondContact O-CB 3.21Å; F594-H598 PolarHBondContact O-N 2.02Å; I595-H598 PolarHBondContact O-N 3.24Å; H598-I600 PolarHBondContact O-N 3.06Å; H598-Q601 PolarHBondContact O-N 2.66Å; H598-V602 VanDerWaalsContact O-CG2 3.32Å; H598-V602 WeakPolarHBondContact O-CG2 3.46Å; H598-V602 PolarHBondContact O-N 2.97Å
599	N	76.2	Confident	76.9	Confident	98 Å²	98	105.3 Å²	105.3	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-64.1	-39.6	176.2	-81.3	-14.5	0	0	0	112.7	I595 W596 L597 V602 L603	I595-N599 PolarHBondContact O-N 3.12Å; W596-N599 PolarHBondContact O-N 3.42Å; L597-N599 VanDerWaalsContact C-N 3.34Å; L597-N599 PolarHBondContact O-N 3.1Å; N599-V602 PolarHBondContact O-N 3.22Å; N599-L603 WeakPolarHBondContact O-CB 3.49Å; N599-L603 PolarHBondContact O-N 2.9Å
600	I	79.6	Confident	76.2	Confident	63 Å²	63	101.8 Å²	101.8	32%	0.323	51%	0.505	S	S	.	.	H	α-helix	trans	-64.6	-41.9	174	-72.2	176.1	0	0	0	111	W596 L597 H598 L603 L604	W596-I600 HydrophobicContact CD2-CD1 3.76Å; W596-I600 HydrophobicContact CE3-CD1 3.72Å; W596-I600 HydrophobicContact CH2-CD1 3.32Å; W596-I600 HydrophobicContact CZ2-CD1 3.35Å; W596-I600 HydrophobicContact CZ3-CD1 3.5Å; W596-I600 VanDerWaalsContact CZ3-CD1 3.5Å; W596-I600 PolarHBondContact O-N 3.12Å; L597-I600 PolarHBondContact O-N 3.36Å; H598-I600 PolarHBondContact O-N 3.06Å; I600-L603 PolarHBondContact O-N 3.39Å; I600-L604 HydrophobicContact CG2-CD1 3.78Å; I600-L604 HydrophobicContact CG2-CG 4.29Å; I600-L604 WeakPolarHBondContact O-CB 3.36Å; I600-L604 WeakPolarHBondContact O-CG 3.49Å; I600-L604 PolarHBondContact O-N 3.36Å
601	Q	77.8	Confident	75.7	Confident	130 Å²	130	102.6 Å²	102.6	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-62.7	-43.5	178.1	-169.6	177.4	-6.2	0	0	111	L597 H598 L604 F605	L597-Q601 WeakPolarHBondContact O-CB 3.28Å; L597-Q601 PolarHBondContact O-N 3.05Å; H598-Q601 PolarHBondContact O-N 2.66Å; Q601-L604 PolarHBondContact O-N 3.29Å; Q601-F605 WeakPolarHBondContact O-CB 3.38Å; Q601-F605 PolarHBondContact O-N 3.05Å
602	V	76.4	Confident	75.3	Confident	60 Å²	60	102.5 Å²	102.5	36%	0.364	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-43.4	174.7	172.7	0	0	0	0	111.4	H598 N599 F605 Q606	H598-V602 VanDerWaalsContact O-CG2 3.32Å; H598-V602 WeakPolarHBondContact O-CG2 3.46Å; H598-V602 PolarHBondContact O-N 2.97Å; N599-V602 PolarHBondContact O-N 3.22Å; V602-F605 PolarHBondContact O-N 3.42Å; V602-Q606 WeakPolarHBondContact O-CG 3.29Å; V602-Q606 PolarHBondContact O-N 3.38Å
603	L	74.1	Confident	74.8	Confident	108 Å²	108	103.2 Å²	103.2	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-65.4	-40.8	179.2	-145.3	92.6	0	0	0	112.1	N599 I600 N607	N599-L603 WeakPolarHBondContact O-CB 3.49Å; N599-L603 PolarHBondContact O-N 2.9Å; I600-L603 PolarHBondContact O-N 3.39Å; L603-N607 PolarHBondContact O-N 2.91Å
604	L	75.1	Confident	74.1	Confident	105 Å²	105	105.5 Å²	105.5	55%	0.55	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-41.6	174.4	-78	169.3	0	0	0	111	I600 Q601 N607 F608	I600-L604 HydrophobicContact CG2-CD1 3.78Å; I600-L604 HydrophobicContact CG2-CG 4.29Å; I600-L604 WeakPolarHBondContact O-CB 3.36Å; I600-L604 WeakPolarHBondContact O-CG 3.49Å; I600-L604 PolarHBondContact O-N 3.36Å; Q601-L604 PolarHBondContact O-N 3.29Å; L604-N607 PolarHBondContact O-N 3.15Å; L604-F608 WeakPolarHBondContact O-CB 3Å; L604-F608 PolarHBondContact O-N 3.49Å
605	F	73.2	Confident	73.6	Confident	147 Å²	147	107.4 Å²	107.4	65%	0.645	52%	0.521	S	S	*	.	H	α-helix	trans	-65.9	-42.4	178.2	-142.6	-90.8	0	0	0	111.6	Q601 V602 F608 T609	Q601-F605 WeakPolarHBondContact O-CB 3.38Å; Q601-F605 PolarHBondContact O-N 3.05Å; V602-F605 PolarHBondContact O-N 3.42Å; F605-F608 PolarHBondContact O-N 3.36Å; F605-T609 HydrophobicContact CD1-CG2 4Å; F605-T609 HydrophobicContact CE1-CG2 4.13Å; F605-T609 WeakPolarHBondContact O-CG2 3.49Å; F605-T609 PolarHBondContact O-N 3.37Å; F605-T609 PolarHBondContact O-OG1 2.89Å; F605-T609 VanDerWaalsContact O-OG1 3.08Å
606	Q	70.3	Confident	73.2	Confident	76 Å²	76	110.9 Å²	110.9	36%	0.355	53%	0.529	S	S	.	.	H	α-helix	trans	-62.8	-41.9	174.6	-79.5	-176.2	-28.2	0	0	112.5	V602 T609 S610	V602-Q606 WeakPolarHBondContact O-CG 3.29Å; V602-Q606 PolarHBondContact O-N 3.38Å; Q606-T609 WeakPolarHBondContact CA-OG1 3.49Å; Q606-T609 PolarHBondContact O-OG1 3.49Å; Q606-T609 VanDerWaalsContact O-OG1 3.04Å; Q606-S610 VanDerWaalsContact O-CB 3.31Å; Q606-S610 WeakPolarHBondContact O-CB 3.37Å; Q606-S610 PolarHBondContact O-N 3.41Å
607	N	70.4	Confident	72.7	Confident	94 Å²	94	108.2 Å²	108.2	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-39.7	175.3	-81.7	-27.6	0	0	0	111.8	L603 L604 S610 I611	L603-N607 PolarHBondContact O-N 2.91Å; L604-N607 PolarHBondContact O-N 3.15Å; N607-S610 PolarHBondContact O-N 3.34Å; N607-I611 WeakPolarHBondContact O-CB 3.43Å; N607-I611 WeakPolarHBondContact O-CD1 3.32Å; N607-I611 WeakPolarHBondContact O-CG1 3.37Å; N607-I611 PolarHBondContact O-N 2.98Å
608	F	70.8	Confident	72	Confident	140 Å²	140	110.3 Å²	110.3	61%	0.614	53%	0.531	S	S	*	.	H	α-helix	trans	-65.6	-44.8	177	-117.3	-86.6	0	0	0	112.1	L604 F605 S610 I611 I612	L604-F608 WeakPolarHBondContact O-CB 3Å; L604-F608 PolarHBondContact O-N 3.49Å; F605-F608 PolarHBondContact O-N 3.36Å; F608-S610 VanDerWaalsContact C-N 3.34Å; F608-S610 PolarHBondContact O-N 3.01Å; F608-I611 PolarHBondContact O-N 3.33Å; F608-I612 HydrophobicContact CD1-CD1 4.18Å; F608-I612 VanDerWaalsContact O-CG1 3.28Å; F608-I612 WeakPolarHBondContact O-CG1 3.28Å; F608-I612 PolarHBondContact O-N 2.73Å
609	T	69.8	Low	71.5	Confident	57 Å²	57	109.4 Å²	109.4	35%	0.35	53%	0.532	S	S	.	.	H	α-helix	trans	-65.3	-38.7	177.1	53.7	0	0	0	0	111.2	F605 Q606 I612 F613	F605-T609 HydrophobicContact CD1-CG2 4Å; F605-T609 HydrophobicContact CE1-CG2 4.13Å; F605-T609 WeakPolarHBondContact O-CG2 3.49Å; F605-T609 PolarHBondContact O-N 3.37Å; F605-T609 PolarHBondContact O-OG1 2.89Å; F605-T609 VanDerWaalsContact O-OG1 3.08Å; Q606-T609 WeakPolarHBondContact CA-OG1 3.49Å; Q606-T609 PolarHBondContact O-OG1 3.49Å; Q606-T609 VanDerWaalsContact O-OG1 3.04Å; T609-I612 PolarHBondContact O-N 3.42Å; T609-F613 WeakPolarHBondContact O-CB 3.41Å; T609-F613 PolarHBondContact O-N 3.16Å
610	S	66.7	Low	70.9	Confident	65 Å²	65	107.3 Å²	107.3	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-64.8	-40.5	175.8	-145.2	0	0	0	0	112.5	Q606 N607 F608 F613 L614	Q606-S610 VanDerWaalsContact O-CB 3.31Å; Q606-S610 WeakPolarHBondContact O-CB 3.37Å; Q606-S610 PolarHBondContact O-N 3.41Å; N607-S610 PolarHBondContact O-N 3.34Å; F608-S610 VanDerWaalsContact C-N 3.34Å; F608-S610 PolarHBondContact O-N 3.01Å; S610-F613 PolarHBondContact O-N 3.32Å; S610-L614 WeakPolarHBondContact O-CB 3.49Å; S610-L614 WeakPolarHBondContact O-CG 3.38Å; S610-L614 PolarHBondContact O-N 3.43Å
611	I	69.5	Low	70.1	Confident	93 Å²	93	108.9 Å²	108.9	48%	0.477	53%	0.53	S	S	.	.	H	α-helix	trans	-65.8	-41.4	175.3	-68.9	164.7	0	0	0	111.3	N607 F608 R615	N607-I611 WeakPolarHBondContact O-CB 3.43Å; N607-I611 WeakPolarHBondContact O-CD1 3.32Å; N607-I611 WeakPolarHBondContact O-CG1 3.37Å; N607-I611 PolarHBondContact O-N 2.98Å; F608-I611 PolarHBondContact O-N 3.33Å; I611-R615 WeakPolarHBondContact O-CB 3.48Å; I611-R615 PolarHBondContact O-N 2.99Å
612	I	70.3	Confident	69.4	Low	102 Å²	102	105.9 Å²	105.9	52%	0.523	52%	0.521	S	S	.	.	H	α-helix	trans	-65.1	-43.3	176.3	-67.7	167.3	0	0	0	110.1	F608 T609 R615 Y616	F608-I612 HydrophobicContact CD1-CD1 4.18Å; F608-I612 VanDerWaalsContact O-CG1 3.28Å; F608-I612 WeakPolarHBondContact O-CG1 3.28Å; F608-I612 PolarHBondContact O-N 2.73Å; T609-I612 PolarHBondContact O-N 3.42Å; I612-R615 PolarHBondContact O-N 3.26Å; I612-Y616 WeakPolarHBondContact O-CB 3.33Å; I612-Y616 PolarHBondContact O-N 3.21Å
613	F	67	Low	68.8	Low	155 Å²	155	108 Å²	108	68%	0.68	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-41.9	178.9	-143.3	-88.3	0	0	0	111.9	T609 S610 Y616 H617	T609-F613 WeakPolarHBondContact O-CB 3.41Å; T609-F613 PolarHBondContact O-N 3.16Å; S610-F613 PolarHBondContact O-N 3.32Å; F613-Y616 PolarHBondContact O-N 3.2Å; F613-H617 VanDerWaalsContact O-CB 3.31Å; F613-H617 WeakPolarHBondContact O-CB 3.33Å; F613-H617 PolarHBondContact O-N 3.21Å
614	L	68.1	Low	68	Low	121 Å²	121	108.9 Å²	108.9	63%	0.634	53%	0.532	S	S	*	.	H	α-helix	trans	-64	-40.9	174.6	-79.8	163.4	0	0	0	112.2	S610 H618	S610-L614 WeakPolarHBondContact O-CB 3.49Å; S610-L614 WeakPolarHBondContact O-CG 3.38Å; S610-L614 PolarHBondContact O-N 3.43Å; L614-H618 WeakPolarHBondContact O-CB 3.38Å; L614-H618 PolarHBondContact O-N 3.29Å
615	R	69.2	Low	67	Low	187 Å²	187	109 Å²	109	71%	0.706	53%	0.533	S	S	*	.	H	α-helix	trans	-66.1	-42	174.3	-81.6	-169.2	175.9	-160.8	0	111.9	I611 I612 H618 V619	I611-R615 WeakPolarHBondContact O-CB 3.48Å; I611-R615 PolarHBondContact O-N 2.99Å; I612-R615 PolarHBondContact O-N 3.26Å; R615-H618 PolarHBondContact O-N 2.94Å; R615-V619 VanDerWaalsContact O-CG2 3.27Å; R615-V619 WeakPolarHBondContact O-CG2 3.09Å; R615-V619 PolarHBondContact O-N 3.09Å
616	Y	71	Confident	65.9	Low	169 Å²	169	106.5 Å²	106.5	66%	0.663	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-44	178.3	-156.8	-94.3	0	0	0	111	I612 F613 H618 V619 T620	I612-Y616 WeakPolarHBondContact O-CB 3.33Å; I612-Y616 PolarHBondContact O-N 3.21Å; F613-Y616 PolarHBondContact O-N 3.2Å; Y616-H618 PolarHBondContact O-N 3.21Å; Y616-V619 PolarHBondContact O-N 3.48Å; Y616-T620 HydrophobicContact CD1-CG2 4.39Å; Y616-T620 HydrophobicContact CE1-CG2 4.15Å; Y616-T620 PolarHBondContact O-N 3Å; Y616-T620 PolarHBondContact O-OG1 3.34Å
617	H	68.8	Low	64.7	Low	108 Å²	108	107.1 Å²	107.1	50%	0.5	54%	0.542	S	S	.	.	H	α-helix	trans	-67.5	-33.8	177.7	-155.8	-59.2	0	0	0	112.9	F613 T620 M621	F613-H617 VanDerWaalsContact O-CB 3.31Å; F613-H617 WeakPolarHBondContact O-CB 3.33Å; F613-H617 PolarHBondContact O-N 3.21Å; H617-T620 WeakPolarHBondContact CA-OG1 3.26Å; H617-T620 PolarHBondContact O-OG1 2.85Å; H617-M621 WeakPolarHBondContact O-CB 3.36Å; H617-M621 WeakPolarHBondContact O-CG 3.47Å; H617-M621 PolarHBondContact O-N 3.04Å
618	H	67.3	Low	63.5	Low	137 Å²	137	109.8 Å²	109.8	63%	0.634	56%	0.556	S	S	*	*	H	α-helix	trans	-68.9	-39.2	173.2	-160.8	-72.2	0	0	0	111	L614 R615 Y616 T622	L614-H618 WeakPolarHBondContact O-CB 3.38Å; L614-H618 PolarHBondContact O-N 3.29Å; R615-H618 PolarHBondContact O-N 2.94Å; Y616-H618 PolarHBondContact O-N 3.21Å; H618-T622 PolarHBondContact ND1-OG1 3.25Å; H618-T622 WeakPolarHBondContact O-CB 3.25Å; H618-T622 PolarHBondContact O-N 2.78Å; H618-T622 PolarHBondContact O-OG1 3.33Å
619	V	69.1	Low	62.2	Low	82 Å²	82	108.7 Å²	108.7	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-67	-45.3	176.5	172.6	0	0	0	0	111.2	R615 Y616 T622 I623	R615-V619 VanDerWaalsContact O-CG2 3.27Å; R615-V619 WeakPolarHBondContact O-CG2 3.09Å; R615-V619 PolarHBondContact O-N 3.09Å; Y616-V619 PolarHBondContact O-N 3.48Å; V619-T622 PolarHBondContact O-N 2.82Å; V619-I623 HydrophobicContact CG1-CD1 3.76Å; V619-I623 HydrophobicContact CG1-CG1 4.47Å; V619-I623 VanDerWaalsContact O-CG1 3.27Å; V619-I623 WeakPolarHBondContact O-CG1 3.12Å; V619-I623 PolarHBondContact O-N 3.32Å
620	T	65.5	Low	60.6	Low	55 Å²	55	111.1 Å²	111.1	34%	0.337	58%	0.58	S	S	.	*	H	α-helix	trans	-66.3	-38.5	177.2	38.4	0	0	0	0	113.1	Y616 H617 T622 I623 M624	Y616-T620 HydrophobicContact CD1-CG2 4.39Å; Y616-T620 HydrophobicContact CE1-CG2 4.15Å; Y616-T620 PolarHBondContact O-N 3Å; Y616-T620 PolarHBondContact O-OG1 3.34Å; H617-T620 WeakPolarHBondContact CA-OG1 3.26Å; H617-T620 PolarHBondContact O-OG1 2.85Å; T620-T622 VanDerWaalsContact C-N 3.35Å; T620-I623 PolarHBondContact O-N 3.17Å; T620-M624 PolarHBondContact O-N 3.46Å
621	M	61.9	Low	59.1	Low	96 Å²	96	115.6 Å²	115.6	47%	0.473	60%	0.599	S	S	.	*	H	α-helix	trans	-67.6	-34.5	173.4	-77.7	-69.9	-79.7	0	0	112.5	H617 N625	H617-M621 WeakPolarHBondContact O-CB 3.36Å; H617-M621 WeakPolarHBondContact O-CG 3.47Å; H617-M621 PolarHBondContact O-N 3.04Å; M621-N625 WeakPolarHBondContact O-CB 3.27Å; M621-N625 PolarHBondContact O-N 3.39Å
622	T	63.1	Low	57.7	Low	67 Å²	67	118.3 Å²	118.3	41%	0.411	62%	0.615	S	S	.	*	H	α-helix	trans	-67.1	-43.2	175.4	-48.7	0	0	0	0	110.1	H618 V619 T620 N625 T626	H618-T622 PolarHBondContact ND1-OG1 3.25Å; H618-T622 WeakPolarHBondContact O-CB 3.25Å; H618-T622 PolarHBondContact O-N 2.78Å; H618-T622 PolarHBondContact O-OG1 3.33Å; V619-T622 PolarHBondContact O-N 2.82Å; T620-T622 VanDerWaalsContact C-N 3.35Å; T622-N625 PolarHBondContact O-N 3.39Å; T622-T626 PolarHBondContact O-N 2.9Å; T622-T626 PolarHBondContact O-OG1 3.03Å
623	I	63.6	Low	56.2	Low	104 Å²	104	119.7 Å²	119.7	53%	0.533	62%	0.623	S	S	.	*	H	α-helix	trans	-63.3	-43.2	177.6	-66.9	166.6	0	0	0	111.3	V619 T620 T626 S627	V619-I623 HydrophobicContact CG1-CD1 3.76Å; V619-I623 HydrophobicContact CG1-CG1 4.47Å; V619-I623 VanDerWaalsContact O-CG1 3.27Å; V619-I623 WeakPolarHBondContact O-CG1 3.12Å; V619-I623 PolarHBondContact O-N 3.32Å; T620-I623 PolarHBondContact O-N 3.17Å; I623-T626 PolarHBondContact O-OG1 3.17Å; I623-T626 VanDerWaalsContact O-OG1 3.12Å; I623-S627 PolarHBondContact O-N 2.79Å; I623-S627 PolarHBondContact O-OG 3.46Å
624	M	56.6	Low	54.9	Low	127 Å²	127	118.7 Å²	118.7	63%	0.626	62%	0.624	S	S	*	*	H	α-helix	trans	-70.8	-32.2	178.7	-72.9	-157.3	176.4	0	0	113.8	T620 S627	T620-M624 PolarHBondContact O-N 3.46Å; M624-S627 PolarHBondContact O-OG 2.94Å
625	N	54.1	Low	53.4	Low	107 Å²	107	119.7 Å²	119.7	57%	0.572	63%	0.63	S	S	*	*	H	α-helix	trans	-78.7	-29	176.2	-79.8	-13.7	0	0	0	113	M621 T622 S627	M621-N625 WeakPolarHBondContact O-CB 3.27Å; M621-N625 PolarHBondContact O-N 3.39Å; T622-N625 PolarHBondContact O-N 3.39Å; N625-S627 VanDerWaalsContact C-N 3.32Å
626	T	51.2	Low	51.9	Low	95 Å²	95	116.2 Å²	116.2	58%	0.583	63%	0.63	S	S	*	*	H	α-helix	trans	-73.2	-21.2	172.3	39.5	0	0	0	0	113.7	T622 I623	T622-T626 PolarHBondContact O-N 2.9Å; T622-T626 PolarHBondContact O-OG1 3.03Å; I623-T626 PolarHBondContact O-OG1 3.17Å; I623-T626 VanDerWaalsContact O-OG1 3.12Å
627	S	45.6	Very low	50.4	Low	89 Å²	89	113.5 Å²	113.5	62%	0.622	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-5.2	177.9	60.1	0	0	0	0	114.9	I623 M624 N625	I623-S627 PolarHBondContact O-N 2.79Å; I623-S627 PolarHBondContact O-OG 3.46Å; M624-S627 PolarHBondContact O-OG 2.94Å; N625-S627 VanDerWaalsContact C-N 3.32Å
628	L	43.7	Very low	48.8	Very low	149 Å²	149	115.4 Å²	115.4	78%	0.78	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	5.8	-178.1	-103.9	100.1	0	0	0	115.3
629	T	43.6	Very low	47.4	Very low	118 Å²	118	116.8 Å²	116.8	72%	0.724	65%	0.652	S	S	*	*	S	Bend	trans	-134.4	68.7	178.3	57.6	0	0	0	0	111.2
630	S	36	Very low	45.8	Very low	108 Å²	108	118.5 Å²	118.5	76%	0.755	66%	0.659	S	S	*	*			trans	-167.5	64.4	166	171.5	0	0	0	0	109
631	N	35.5	Very low	44.4	Very low	158 Å²	158	120.6 Å²	120.6	85%	0.845	67%	0.671	S	S	*	*			trans	-143.6	83.4	163	-111.7	1.6	0	0	0	105.4
632	D	39.7	Very low	43.2	Very low	151 Å²	151	123.2 Å²	123.2	81%	0.807	68%	0.682	S	S	*	*			trans	-162.1	132.1	152	-86.4	-31.8	0	0	0	107
633	D	40.1	Very low	41.8	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	70%	0.7	S	S	*	*			trans	84.5	105.4	152.6	-62.4	-16.4	0	0	0	121.5
634	N	38.3	Very low	40.5	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	70%	0.704	S	S	*	*				93.3	102.7	120.6	-65.8	-28.4	0	0	0	119.7
635	N	37.8	Very low	39.2	Very low	142 Å²	142	129.4 Å²	129.4	76%	0.759	72%	0.716	S	S	*	*				36	130.2	115.6	-88	-12	0	0	0	119.8
636	T	38	Very low	38.3	Very low	114 Å²	114	129.1 Å²	129.1	70%	0.699	72%	0.723	S	S	*	*			trans	82	109.8	139.7	48.9	0	0	0	0	119.3
637	T	37.9	Very low	37.5	Very low	113 Å²	113	129.2 Å²	129.2	69%	0.693	73%	0.727	S	S	*	*			trans	70.3	115	132	49	0	0	0	0	119.5
638	D	36	Very low	37	Very low	147 Å²	147	132.3 Å²	132.3	79%	0.786	74%	0.736	S	S	*	*				94.2	133.4	124.3	-69.3	-16.7	0	0	0	119.8
639	E	38	Very low	36.6	Very low	166 Å²	166	129 Å²	129	78%	0.776	73%	0.725	S	S	*	*			trans	92	115.2	148.8	-80.1	-174.2	167.7	0	0	120.6
640	N	36.1	Very low	36.4	Very low	119 Å²	119	132.1 Å²	132.1	64%	0.636	73%	0.731	S	S	*	*			trans	86.9	93.7	130.6	-66.9	-19.2	0	0	0	117.4
641	T	36.1	Very low	36.2	Very low	99 Å²	99	132 Å²	132	61%	0.607	73%	0.73	S	S	*	*				70.4	112.1	104.3	54.2	0	0	0	0	114.5
642	H	36.8	Very low	36.4	Very low	150 Å²	150	130 Å²	130	69%	0.694	73%	0.726	S	S	*	*				166.1	134.4	104.3	-90.4	-52.3	0	0	0	113.1
643	Y	33.8	Very low	36.2	Very low	201 Å²	201	129.1 Å²	129.1	79%	0.788	73%	0.726	S	S	*	*			trans	73.3	131.1	139	-83.3	-116.1	0	0	0	117.7
644	V	35.6	Very low	36	Very low	102 Å²	102	127.6 Å²	127.6	62%	0.618	73%	0.726	S	S	*	*			cis	-159.8	135.1	-1.4	166.4	0	0	0	0	105.8
645	S	28.5	Very low	35.9	Very low	126 Å²	126	129 Å²	129	88%	0.881	73%	0.733	S	S	*	*			trans	-116	131.5	157.5	-66.2	0	0	0	0	108.8
646	S	35.7	Very low	35.8	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	73%	0.73	S	S	*	*			trans	-156.2	141	170.2	-48.8	0	0	0	0	105.4
647	S	34.2	Very low	35.7	Very low	97 Å²	97	126.7 Å²	126.7	68%	0.678	73%	0.727	S	S	*	*			cis	169.7	167.7	-11.3	43	0	0	0	0	104.6
648	L	35.1	Very low	35.6	Very low	154 Å²	154	130 Å²	130	81%	0.806	73%	0.734	S	S	*	*			trans	90.9	134.3	169.8	-75.8	82	0	0	0	116.6
649	S	36.4	Very low	35.7	Very low	80 Å²	80	128.6 Å²	128.6	56%	0.559	73%	0.733	S	S	*	*			cis	178.6	150	-6.6	49.7	0	0	0	0	110.3
650	H	38.2	Very low	35.7	Very low	183 Å²	183	126.1 Å²	126.1	85%	0.847	73%	0.731	S	S	*	*			trans	88.7	109.5	150.2	-62.4	-53.9	0	0	0	121.9
651	S	32.6	Very low	35.5	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	74%	0.744	S	S	*	*			trans	-95.5	170.7	144.8	51.4	0	0	0	0	109.6
652	P	40.4	Very low	35.3	Very low	118 Å²	118	129.5 Å²	129.5	77%	0.766	75%	0.753	S	S	*	*				-152.9	156.2	88.9	36.3	-14.8	0	0	0	118.3
653	T	35.2	Very low	34.8	Very low	131 Å²	131	129.7 Å²	129.7	80%	0.804	76%	0.758	S	S	*	*			trans	-22	149.1	155.7	45.9	0	0	0	0	122.3
654	S	36	Very low	35	Very low	99 Å²	99	125.9 Å²	125.9	69%	0.692	76%	0.76	S	S	*	*				-176.4	119.2	120.4	67.6	0	0	0	0	111.9
655	L	35	Very low	34.9	Very low	164 Å²	164	126.6 Å²	126.6	86%	0.859	76%	0.761	S	S	*	*				71.8	125.8	109.3	-72.7	153.3	0	0	0	113.8
656	V	35.8	Very low	35.2	Very low	117 Å²	117	130.7 Å²	130.7	71%	0.709	76%	0.763	S	S	*	*			cis	179.8	144.4	44	133.4	0	0	0	0	112.8
657	S	35.6	Very low	35.2	Very low	89 Å²	89	130.6 Å²	130.6	62%	0.622	76%	0.759	S	S	*	*			trans	57.5	113	149.5	69.4	0	0	0	0	122.9
658	H	37.5	Very low	35.2	Very low	184 Å²	184	134.2 Å²	134.2	85%	0.852	76%	0.762	S	S	*	*				88	156.9	81.2	-75.2	-54.9	0	0	0	115.4
659	P	37.4	Very low	35.3	Very low	116 Å²	116	134.2 Å²	134.2	75%	0.753	76%	0.758	S	S	*	*				-137.8	-174.9	-51.9	41.2	-21.8	0	0	0	112.9
660	P	37.3	Very low	35.2	Very low	115 Å²	115	134.3 Å²	134.3	75%	0.747	76%	0.759	S	S	*	*			trans	-109.7	150.8	-165	38.7	-28.6	0	0	0	115.8
661	L	32.4	Very low	35	Very low	171 Å²	171	133 Å²	133	90%	0.895	76%	0.758	S	S	*	*			trans	-165.6	142.9	170	-81.9	-179.6	0	0	0	107.2
662	C	31	Very low	35	Very low	118 Å²	118	133.2 Å²	133.2	80%	0.797	76%	0.759	S	S	*	*			cis	-154.8	149.1	27.5	-97.5	0	0	0	0	112
663	L	28.1	Very low	34.7	Very low	153 Å²	153	133.8 Å²	133.8	80%	0.801	77%	0.765	S	S	*	*			trans	-79.4	148.9	162.4	-135.2	89.1	0	0	0	110
664	S	36.7	Very low	34.6	Very low	121 Å²	121	138.9 Å²	138.9	85%	0.846	77%	0.769	S	S	*	*			trans	-157.7	120	142.2	57	0	0	0	0	111.5
665	D	34.6	Very low	34.5	Very low	117 Å²	117	139.8 Å²	139.8	63%	0.626	77%	0.773	S	S	*	*			trans	-46.4	152.7	175.8	-62.4	-73.3	0	0	0	116.8
666	F	34.2	Very low	34.7	Very low	212 Å²	212	141.4 Å²	141.4	93%	0.93	80%	0.797	S	S	*	*				-155.3	140.5	116.2	-110.5	-79.5	0	0	0	110.8
667	T	36	Very low	34.7	Very low	100 Å²	100	142.6 Å²	142.6	61%	0.613	80%	0.802	S	S	*	*			trans	-103.7	158.2	-155.4	34.5	0	0	0	0	113.6
668	K	34.7	Very low	34.6	Very low	172 Å²	172	145.4 Å²	145.4	75%	0.748	81%	0.811	S	S	*	*			trans	97.1	133.6	133.4	-96.9	172.7	-180	-179.6	0	122.1
669	H	37.2	Very low	34.5	Very low	154 Å²	154	143.3 Å²	143.3	71%	0.713	81%	0.809	S	S	*	*			trans	87.8	95.9	156	-66.3	-55.7	0	0	0	117.7
670	S	33	Very low	34.3	Very low	83 Å²	83	144.9 Å²	144.9	58%	0.58	81%	0.812	S	S	*	*				65.5	98.9	73.8	76	0	0	0	0	114.2
671	N	35.4	Very low	34.1	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	82%	0.816	S	S	*	*				168.5	128.1	111.4	-84.9	-18.5	0	0	0	112.7
672	S	32.1	Very low	34.3	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	81%	0.811	S	S	*	*			trans	-8.5	131.3	146.5	160.9	0	0	0	0	117.3
673	C	34.3	Very low	34.5	Very low	131 Å²	131	147.1 Å²	147.1	89%	0.885	81%	0.812	S	S	*	*				-161.3	140.2	126.2	-102.2	0	0	0	0	112.8
674	R	31.8	Very low	35	Very low	237 Å²	237	146.6 Å²	146.6	89%	0.894	81%	0.813	S	S	*	*			trans	-61.6	164.7	-179.4	-116.2	176	167.9	174.4	-3.3	113.9
675	P	34.9	Very low	34.8	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	81%	0.81	S	S	*	*			trans	-84.5	156.2	-175.4	34.2	-26.7	0	0	0	112.6
676	S	39.8	Very low	34.9	Very low	197 Å²	197	151.6 Å²	151.6	100%	1.378	83%	0.827	S	S	*	*			trans	-104.3	0	157.6	-46.3	0	0	0	0	108.7

Retrieved 676 of 676 residues in 757.1 ms (Link to these results)

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