A0A087X5S1_POEFO Loading...

Cellular tumor antigen p53

Multifunctional transcription factor that induces cell cycle arrest, DNA repair or apoptosis upon binding to its target DNA sequence. Acts as a tumor suppressor in many tumor types; induces growth arrest or apoptosis depending on the physiological circumstances and cell type. Negatively regulates cell division by controlling expression of a set of genes required for this process. One of the activated genes is an inhibitor of cyclin-dependent kinases. Apoptosis induction seems to be mediated either by stimulation of BAX and FAS antigen expression, or by repression of Bcl-2 expression.

AlphaFold DB , UniProt , Accession A0A087X5S1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 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	31.1	Very low	33.1	Very low	239 Å²	239	152.9 Å²	152.9	100%	1.177	79%	0.789	S	S	*	*				0	144.7	0	-85.1	176.7	162.2	0	0	108.4
2	N	31.5	Very low	34.2	Very low	163 Å²	163	148 Å²	148	87%	0.872	77%	0.774	S	S	*	*			trans	61.6	111.5	170.9	-62.8	4.4	0	0	0	119.7
3	S	30.9	Very low	33.3	Very low	112 Å²	112	150.4 Å²	150.4	78%	0.783	78%	0.779	S	S	*	*			trans	-73.8	-174.7	155.8	-150.6	0	0	0	0	108.9
4	P	60.1	Low	32.7	Very low	96 Å²	96	153.4 Å²	153.4	62%	0.623	78%	0.783	S	S	*	*			cis	-156.8	-177.7	19.9	47.9	-26.8	0	0	0	121.7
5	Y	36.4	Very low	33	Very low	224 Å²	224	150.4 Å²	150.4	88%	0.878	78%	0.778	S	S	*	*			trans	62.2	151	161.6	-75.1	-87.2	0	0	0	117.9
6	A	35.3	Very low	32.4	Very low	83 Å²	83	152.8 Å²	152.8	69%	0.686	78%	0.781	S	S	*	*			cis	172.7	169.9	-19.9	0	0	0	0	0	107.9
7	A	33.2	Very low	31.9	Very low	80 Å²	80	149.5 Å²	149.5	66%	0.661	77%	0.774	S	S	*	*			cis	-172.7	158.6	-27.9	0	0	0	0	0	109.1
8	L	30.2	Very low	31.4	Very low	146 Å²	146	153.7 Å²	153.7	76%	0.764	78%	0.778	S	S	*	*			trans	67.5	156	160.1	-60.7	157.4	0	0	0	116.9
9	Q	27.4	Very low	31	Very low	159 Å²	159	153.4 Å²	153.4	74%	0.743	78%	0.778	S	S	*	*			cis	-152.5	128.5	6.4	-133.3	147.3	7.1	0	0	108.3
10	Y	23.3	Very low	30.6	Very low	190 Å²	190	157.4 Å²	157.4	75%	0.745	78%	0.783	S	S	*	*				68.4	103.6	93.4	-127.3	-100.7	0	0	0	114.5
11	Y	24.9	Very low	30.2	Very low	190 Å²	190	156.8 Å²	156.8	75%	0.745	78%	0.783	S	S	*	*				87.7	179.3	82.3	-118.5	-30	0	0	0	113
12	P	46.5	Very low	30.5	Very low	94 Å²	94	150 Å²	150	61%	0.61	76%	0.757	S	S	*	*				-112.1	-171.8	-59.6	21	3.5	0	0	0	111.2
13	E	22.8	Very low	30.2	Very low	179 Å²	179	147 Å²	147	84%	0.836	75%	0.749	S	S	*	*				-172.4	162.9	59	-89.3	-160	123.6	0	0	114.3
14	F	24.9	Very low	29.9	Very low	192 Å²	192	147 Å²	147	84%	0.842	75%	0.748	S	S	*	*			trans	-81.5	-161.1	164.7	-76.3	-101.2	0	0	0	109.5
15	P	35.9	Very low	28.3	Very low	109 Å²	109	150.1 Å²	150.1	71%	0.708	76%	0.759	S	S	*	*			cis	-142.3	168.2	-0.2	24.8	2.8	0	0	0	119.8
16	F	24.3	Very low	27.7	Very low	188 Å²	188	146.7 Å²	146.7	83%	0.825	76%	0.755	S	S	*	*			trans	40.3	132	141.3	-71.7	-71.6	0	0	0	126.6
17	C	23.1	Very low	27.1	Very low	98 Å²	98	147.1 Å²	147.1	66%	0.662	75%	0.753	S	S	*	*				98.6	118.3	125.4	-88.2	0	0	0	0	124.9
18	R	23.5	Very low	26.7	Very low	224 Å²	224	153.6 Å²	153.6	85%	0.845	76%	0.76	S	S	*	*			trans	56.4	127.4	138	-59.5	-179	-178.4	-171.9	0	121.2
19	L	23.6	Very low	26.4	Very low	148 Å²	148	155.7 Å²	155.7	78%	0.775	76%	0.758	S	S	*	*				172.3	145.7	95.7	-111.8	120.4	0	0	0	114.9
20	R	22.5	Very low	26.5	Very low	234 Å²	234	155.9 Å²	155.9	88%	0.883	76%	0.759	S	S	*	*			trans	64.8	132	147.9	-105.7	177.8	-167.5	-176.8	3.2	124
21	D	22.6	Very low	26.6	Very low	144 Å²	144	150.5 Å²	150.5	77%	0.77	76%	0.762	S	S	*	*			trans	-65	177.4	153.8	-139.5	17.4	0	0	0	111.8
22	P	37.8	Very low	26.7	Very low	97 Å²	97	146.5 Å²	146.5	63%	0.63	76%	0.761	S	S	*	*			cis	-149.9	-179.5	13.9	42.8	-20.8	0	0	0	120.2
23	S	24.2	Very low	25.7	Very low	101 Å²	101	148.5 Å²	148.5	71%	0.706	77%	0.766	S	S	*	*			trans	83.4	158.3	136.5	70.7	0	0	0	0	124.9
24	S	25.4	Very low	25.9	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	77%	0.768	S	S	*	*			trans	81.1	126.9	174.6	70.2	0	0	0	0	117.6
25	L	25.4	Very low	26	Very low	161 Å²	161	144.6 Å²	144.6	84%	0.843	75%	0.754	S	S	*	*			cis	82.3	145.1	44.5	-85.5	167.2	0	0	0	115.6
26	L	24.8	Very low	25.5	Very low	153 Å²	153	145 Å²	145	80%	0.801	75%	0.754	S	S	*	*			trans	85	126.9	178.3	-50.4	175.4	0	0	0	114.3
27	S	23.6	Very low	25.5	Very low	91 Å²	91	143.7 Å²	143.7	64%	0.636	75%	0.753	S	S	*	*			cis	101	157.4	39.3	-172.3	0	0	0	0	112.2
28	W	24.1	Very low	25.6	Very low	216 Å²	216	145.1 Å²	145.1	82%	0.818	76%	0.764	S	S	*	*			trans	77	121.2	-176.5	-48.1	97.6	0	0	0	114.4
29	R	24.3	Very low	25.8	Very low	190 Å²	190	143.1 Å²	143.1	72%	0.717	76%	0.764	S	S	*	*			cis	82.4	113.3	30	-150.9	-166.2	-149.2	-113.5	9.2	114.4
30	E	29.4	Very low	26.7	Very low	163 Å²	163	141.5 Å²	141.5	76%	0.762	76%	0.762	S	S	*	*			trans	70.4	141	158.4	-78.5	162.9	134.8	0	0	122.5
31	G	25.8	Very low	26.8	Very low	78 Å²	78	134 Å²	134	80%	0.804	76%	0.758	S	S	*	*			trans	119.5	140.7	156	0	0	0	0	0	117.3
32	S	25.1	Very low	27.2	Very low	105 Å²	105	136 Å²	136	73%	0.734	76%	0.763	S	S	*	*				-170.4	158.3	-68.3	-174	0	0	0	0	110.2
33	L	27.1	Very low	26.7	Very low	137 Å²	137	138.3 Å²	138.3	72%	0.717	78%	0.776	S	S	*	*			trans	67.8	135.1	164.2	-67.1	145	0	0	0	118.5
34	F	27.4	Very low	26.9	Very low	199 Å²	199	138.3 Å²	138.3	87%	0.873	78%	0.781	S	S	*	*				-140.2	131.6	58.9	-89.4	-100.1	0	0	0	112.7
35	T	26	Very low	27.2	Very low	89 Å²	89	140.4 Å²	140.4	55%	0.546	78%	0.784	S	S	.	*				62.9	125.1	83.1	-22	0	0	0	0	113.5
36	T	25.4	Very low	27.5	Very low	117 Å²	117	142.3 Å²	142.3	72%	0.718	79%	0.786	S	S	*	*				-167.7	130.5	55.1	-50.8	0	0	0	0	116.1
37	M	24.8	Very low	28	Very low	162 Å²	162	145.5 Å²	145.5	80%	0.798	79%	0.794	S	S	*	*			trans	27.1	130.6	148	-54.7	-71.7	98.6	0	0	125
38	S	24.9	Very low	28.9	Very low	127 Å²	127	144.3 Å²	144.3	89%	0.888	79%	0.785	S	S	*	*				-169.4	151.4	106.4	26.8	0	0	0	0	113.1
39	Q	26.9	Very low	29.8	Very low	183 Å²	183	140.4 Å²	140.4	86%	0.855	78%	0.776	S	S	*	*			trans	-138.4	178.7	-176.2	-105.4	-152.2	29.9	0	0	109
40	P	43.1	Very low	30.7	Very low	113 Å²	113	136.2 Å²	136.2	73%	0.734	77%	0.768	S	S	*	*			cis	-133.4	175.6	6.8	39.8	-22.4	0	0	0	116.2
41	G	24.6	Very low	31.8	Very low	77 Å²	77	133 Å²	133	79%	0.794	76%	0.759	S	S	*	*			trans	-174	108.1	164.2	0	0	0	0	0	111.5
42	Q	30.6	Very low	33.1	Very low	186 Å²	186	136.3 Å²	136.3	87%	0.869	75%	0.752	S	S	*	*			trans	-89.8	143	-171.2	-61.6	174.2	0.9	0	0	113
43	T	26.9	Very low	34.1	Very low	146 Å²	146	134.9 Å²	134.9	90%	0.896	74%	0.736	S	S	*	*			trans	-164.7	107.2	134.2	20.5	0	0	0	0	112.1
44	A	29.3	Very low	34.8	Very low	100 Å²	100	134.8 Å²	134.8	83%	0.826	73%	0.732	S	S	*	*			trans	41.2	102.2	151.9	0	0	0	0	0	121.2
45	D	31.7	Very low	35.7	Very low	156 Å²	156	129.4 Å²	129.4	83%	0.834	71%	0.712	S	S	*	*			trans	-64.2	145	146.9	-65.2	-70.1	0	0	0	111.6
46	F	32.5	Very low	36.8	Very low	201 Å²	201	132 Å²	132	88%	0.882	72%	0.715	S	S	*	*			trans	-166.9	72.6	153.7	-114.4	-67.5	0	0	0	113
47	F	34.8	Very low	37.5	Very low	220 Å²	220	130.9 Å²	130.9	97%	0.965	71%	0.705	S	S	*	*	S	Bend	trans	-151.8	115.7	150.3	-88.4	-66.8	0	0	0	108.7
48	S	41.3	Very low	38.3	Very low	65 Å²	65	128.9 Å²	128.9	46%	0.455	70%	0.695	S	S	.	*			trans	-80.3	141.3	-160.8	-164	0	0	0	0	114.7	D50 V51	S48-D50 WeakPolarHBondContact CB-OD2 3.36Å; S48-D50 PolarHBondContact O-N 3.2Å; S48-D50 VanDerWaalsContact O-N 3.1Å; S48-D50 PolarHBondContact OG-N 3.45Å; S48-D50 PolarHBondContact OG-OD2 3.32Å; S48-V51 PolarHBondContact O-N 3.39Å
49	Q	43.5	Very low	39.3	Very low	134 Å²	134	128 Å²	128	63%	0.626	68%	0.68	S	S	*	*	H	α-helix	trans	-48.8	-28.3	165.5	-171.7	69.6	30	0	0	112.8	V51 F52 N53	Q49-V51 VanDerWaalsContact C-N 3.27Å; Q49-V51 PolarHBondContact O-N 3.46Å; Q49-F52 PolarHBondContact O-N 2.99Å; Q49-F52 VanDerWaalsContact O-N 3.08Å; Q49-N53 PolarHBondContact O-N 3.23Å
50	D	43.3	Very low	39.9	Very low	103 Å²	103	125.2 Å²	125.2	55%	0.551	67%	0.671	S	S	*	*	H	α-helix	trans	-57.8	-34.8	-178.8	-54.2	-44.1	0	0	0	113.1	S48 F52 N53 Q54	S48-D50 WeakPolarHBondContact CB-OD2 3.36Å; S48-D50 PolarHBondContact O-N 3.2Å; S48-D50 VanDerWaalsContact O-N 3.1Å; S48-D50 PolarHBondContact OG-N 3.45Å; S48-D50 PolarHBondContact OG-OD2 3.32Å; D50-F52 VanDerWaalsContact C-N 3.32Å; D50-F52 PolarHBondContact O-N 3.49Å; D50-N53 PolarHBondContact O-N 3.21Å; D50-Q54 VanDerWaalsContact O-CB 3.26Å; D50-Q54 WeakPolarHBondContact O-CB 3.12Å; D50-Q54 PolarHBondContact O-N 3.25Å
51	V	53.2	Low	39.7	Very low	94 Å²	94	127.6 Å²	127.6	57%	0.57	67%	0.672	S	S	*	*	H	α-helix	trans	-67.9	-35.8	178.8	-177.3	0	0	0	0	111.1	S48 Q49 L55	S48-V51 PolarHBondContact O-N 3.39Å; Q49-V51 VanDerWaalsContact C-N 3.27Å; Q49-V51 PolarHBondContact O-N 3.46Å; V51-L55 PolarHBondContact O-N 3.39Å; V51-L55 VanDerWaalsContact O-N 3.11Å
52	F	52.9	Low	40.3	Very low	149 Å²	149	128.3 Å²	128.3	65%	0.654	67%	0.665	S	S	*	*	H	α-helix	trans	-72.2	-41.6	177.4	-120.9	-84	0	0	0	111.3	Q49 D50 L55 F56	Q49-F52 PolarHBondContact O-N 2.99Å; Q49-F52 VanDerWaalsContact O-N 3.08Å; D50-F52 VanDerWaalsContact C-N 3.32Å; D50-F52 PolarHBondContact O-N 3.49Å; F52-L55 PolarHBondContact O-N 3.02Å; F52-F56 PolarHBondContact O-N 3.05Å
53	N	46.1	Very low	40.5	Very low	75 Å²	75	122.4 Å²	122.4	40%	0.401	65%	0.648	S	S	.	*	H	α-helix	trans	-63.6	-41.4	174.5	-64.6	-14.9	0	0	0	111.1	Q49 D50 L55 F56 D57	Q49-N53 PolarHBondContact O-N 3.23Å; D50-N53 PolarHBondContact O-N 3.21Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.93Å; N53-F56 CarbonylContact O-C 3.55Å; N53-F56 WeakPolarHBondContact O-CA 3.47Å; N53-F56 WeakPolarHBondContact O-CB 3.47Å; N53-F56 PolarHBondContact O-N 3.08Å; N53-D57 PolarHBondContact O-N 3.48Å
54	Q	42.1	Very low	40.7	Very low	135 Å²	135	122.7 Å²	122.7	63%	0.631	64%	0.643	S	S	*	*	H	α-helix	trans	-71.2	-25.3	179.6	-166.1	163.9	14.9	0	0	113.6	D50 M58	D50-Q54 VanDerWaalsContact O-CB 3.26Å; D50-Q54 WeakPolarHBondContact O-CB 3.12Å; D50-Q54 PolarHBondContact O-N 3.25Å; Q54-M58 PolarHBondContact O-N 3.12Å
55	L	46.5	Very low	40.6	Very low	86 Å²	86	125.6 Å²	125.6	45%	0.45	64%	0.639	S	S	.	*	H	α-helix	trans	-71	-39.8	165.3	-88.6	161.8	0	0	0	111.8	V51 F52 N53 M58 L59	V51-L55 PolarHBondContact O-N 3.39Å; V51-L55 VanDerWaalsContact O-N 3.11Å; F52-L55 PolarHBondContact O-N 3.02Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.93Å; L55-M58 HydrophobicContact CD2-CE 3.93Å; L55-M58 HydrophobicContact CG-CE 4.48Å; L55-M58 PolarHBondContact O-N 3.45Å; L55-L59 PolarHBondContact O-N 3.48Å; L55-L59 VanDerWaalsContact O-N 3.13Å
56	F	48.3	Very low	40.7	Very low	143 Å²	143	123 Å²	123	63%	0.627	63%	0.633	S	S	*	*	H	α-helix	trans	-64.9	-45.2	176.6	-133.7	-90.8	0	0	0	111.6	F52 N53 M58 L59 D60	F52-F56 PolarHBondContact O-N 3.05Å; N53-F56 CarbonylContact O-C 3.55Å; N53-F56 WeakPolarHBondContact O-CA 3.47Å; N53-F56 WeakPolarHBondContact O-CB 3.47Å; N53-F56 PolarHBondContact O-N 3.08Å; F56-M58 VanDerWaalsContact C-N 3.3Å; F56-M58 PolarHBondContact O-N 3.34Å; F56-L59 WeakPolarHBondContact O-CB 3.48Å; F56-L59 PolarHBondContact O-N 3.26Å; F56-L59 VanDerWaalsContact O-N 3.08Å; F56-D60 WeakPolarHBondContact O-CB 3.14Å; F56-D60 PolarHBondContact O-N 3.02Å
57	D	41.1	Very low	40.5	Very low	94 Å²	94	120.1 Å²	120.1	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-64.1	-30.8	176.3	-71.5	-20.7	0	0	0	112.6	N53 Q61	N53-D57 PolarHBondContact O-N 3.48Å; D57-Q61 WeakPolarHBondContact O-CB 3.42Å; D57-Q61 VanDerWaalsContact O-CG 3.27Å; D57-Q61 WeakPolarHBondContact O-CG 3.46Å; D57-Q61 PolarHBondContact O-N 2.96Å; D57-Q61 VanDerWaalsContact O-N 3.08Å; D57-Q61 PolarHBondContact O-NE2 2.97Å
58	M	41.3	Very low	40.2	Very low	119 Å²	119	117.4 Å²	117.4	59%	0.586	62%	0.622	S	S	*	*	H	α-helix	trans	-70.2	-36.3	171.5	-92.2	-164	-59.5	0	0	112.5	Q54 L55 F56	Q54-M58 PolarHBondContact O-N 3.12Å; L55-M58 HydrophobicContact CD2-CE 3.93Å; L55-M58 HydrophobicContact CG-CE 4.48Å; L55-M58 PolarHBondContact O-N 3.45Å; F56-M58 VanDerWaalsContact C-N 3.3Å; F56-M58 PolarHBondContact O-N 3.34Å
59	L	44.3	Very low	39.6	Very low	109 Å²	109	119.6 Å²	119.6	57%	0.571	64%	0.635	S	S	*	*	H	α-helix	trans	-70.6	-42.5	175.6	-84.7	154.4	0	0	0	111.1	L55 F56 Q61 S62	L55-L59 PolarHBondContact O-N 3.48Å; L55-L59 VanDerWaalsContact O-N 3.13Å; F56-L59 WeakPolarHBondContact O-CB 3.48Å; F56-L59 PolarHBondContact O-N 3.26Å; F56-L59 VanDerWaalsContact O-N 3.08Å; L59-Q61 VanDerWaalsContact C-N 3.27Å; L59-Q61 PolarHBondContact O-N 3.32Å; L59-S62 WeakPolarHBondContact O-CA 3.27Å; L59-S62 WeakPolarHBondContact O-CB 3.39Å; L59-S62 PolarHBondContact O-N 3.34Å; L59-S62 PolarHBondContact O-OG 2.92Å
60	D	41.4	Very low	38.8	Very low	124 Å²	124	120.3 Å²	120.3	66%	0.663	64%	0.641	S	S	*	*	H	α-helix	trans	-69.1	-23	177.6	-151	50	0	0	0	112.7	F56 S62	F56-D60 WeakPolarHBondContact O-CB 3.14Å; F56-D60 PolarHBondContact O-N 3.02Å; D60-S62 VanDerWaalsContact C-N 3.29Å
61	Q	37.9	Very low	38.1	Very low	163 Å²	163	122.7 Å²	122.7	76%	0.762	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-7.2	167.9	-78.2	168.3	71.2	0	0	114	D57 L59	D57-Q61 WeakPolarHBondContact O-CB 3.42Å; D57-Q61 VanDerWaalsContact O-CG 3.27Å; D57-Q61 WeakPolarHBondContact O-CG 3.46Å; D57-Q61 PolarHBondContact O-N 2.96Å; D57-Q61 VanDerWaalsContact O-N 3.08Å; D57-Q61 PolarHBondContact O-NE2 2.97Å; L59-Q61 VanDerWaalsContact C-N 3.27Å; L59-Q61 PolarHBondContact O-N 3.32Å
62	S	37.3	Very low	37	Very low	92 Å²	92	124.2 Å²	124.2	64%	0.643	65%	0.653	S	S	*	*	S	Bend	trans	-105.8	-3.8	-175.8	74.7	0	0	0	0	115.1	L59 D60	L59-S62 WeakPolarHBondContact O-CA 3.27Å; L59-S62 WeakPolarHBondContact O-CB 3.39Å; L59-S62 PolarHBondContact O-N 3.34Å; L59-S62 PolarHBondContact O-OG 2.92Å; D60-S62 VanDerWaalsContact C-N 3.29Å
63	A	33.9	Very low	35.9	Very low	63 Å²	63	123.2 Å²	123.2	52%	0.521	66%	0.655	S	S	.	*			trans	-136.7	135.2	160.3	0	0	0	0	0	106.5
64	I	31.3	Very low	35.1	Very low	152 Å²	152	128 Å²	128	78%	0.779	67%	0.673	S	S	*	*			cis	-147.3	126.8	44.1	-57	175.3	0	0	0	110.1
65	H	27.5	Very low	34.5	Very low	160 Å²	160	128.2 Å²	128.2	74%	0.741	68%	0.683	S	S	*	*	S	Bend	trans	-127.7	93.3	151.8	-80.8	-49.8	0	0	0	110.7	Q440	H65-Q440 PolarHBondContact CD2-NE2 3.27Å; H65-Q440 VanDerWaalsContact CD2-NE2 3.32Å; H65-Q440 PolarHBondContact NE2-NE2 2.97Å
66	S	34.1	Very low	33.7	Very low	103 Å²	103	133.1 Å²	133.1	72%	0.72	70%	0.703	S	S	*	*			trans	41.6	79.6	155.9	-169.5	0	0	0	0	117.8
67	V	27.4	Very low	32.8	Very low	139 Å²	139	131.3 Å²	131.3	84%	0.842	71%	0.708	S	S	*	*			trans	-110.9	120.8	140.2	-178.8	0	0	0	0	106.3
68	Q	29.1	Very low	32.9	Very low	164 Å²	164	132.2 Å²	132.2	77%	0.766	72%	0.719	S	S	*	*			trans	-62.4	137	175	-70.6	178.1	-39.6	0	0	109.2	I70	Q68-I70 PolarHBondContact O-N 3.31Å
69	P	28.2	Very low	32.4	Very low	111 Å²	111	132.6 Å²	132.6	72%	0.721	73%	0.729	S	S	*	*			trans	-63.5	127.1	165.6	28.2	-32.1	0	0	0	108.1	E71	P69-E71 VanDerWaalsContact C-N 3.35Å; P69-E71 PolarHBondContact O-N 2.92Å
70	I	28	Very low	31.7	Very low	149 Å²	149	135.1 Å²	135.1	76%	0.764	74%	0.743	S	S	*	*			trans	-73.8	96.4	166.3	-58.3	176.8	0	0	0	106.3	Q68 L72	Q68-I70 PolarHBondContact O-N 3.31Å; I70-L72 HydrophobicContact CG2-CD2 3.94Å; I70-L72 HydrophobicContact CG2-CG 3.96Å; I70-L72 PolarHBondContact O-N 3.34Å; I70-L72 VanDerWaalsContact O-N 3.13Å
71	E	29.1	Very low	31.2	Very low	152 Å²	152	132.8 Å²	132.8	71%	0.71	75%	0.748	S	S	*	*			trans	-69	103.1	165.5	-75.2	-166.2	174.9	0	0	109.4	P69 N73	P69-E71 VanDerWaalsContact C-N 3.35Å; P69-E71 PolarHBondContact O-N 2.92Å; E71-N73 PolarHBondContact O-N 3.47Å; E71-N73 PolarHBondContact OE2-ND2 2.94Å
72	L	29.5	Very low	30.9	Very low	126 Å²	126	131.4 Å²	131.4	66%	0.66	76%	0.756	S	S	*	*			trans	-90.6	86.3	162.1	-66.9	-175.7	0	0	0	109.2	I70 F74	I70-L72 HydrophobicContact CG2-CD2 3.94Å; I70-L72 HydrophobicContact CG2-CG 3.96Å; I70-L72 PolarHBondContact O-N 3.34Å; I70-L72 VanDerWaalsContact O-N 3.13Å; L72-F74 HydrophobicContact CB-CD2 4.24Å; L72-F74 HydrophobicContact CB-CE2 3.75Å; L72-F74 HydrophobicContact CB-CZ 4.46Å; L72-F74 HydrophobicContact CD1-CE2 4.17Å; L72-F74 HydrophobicContact CG-CE2 4.4Å; L72-F74 PolarHBondContact O-N 3.29Å
73	N	29.2	Very low	30.9	Very low	129 Å²	129	131.9 Å²	131.9	69%	0.69	77%	0.766	S	S	*	*			trans	-69.2	123	164.8	-81.4	-70.8	0	0	0	109.4	E71	E71-N73 PolarHBondContact O-N 3.47Å; E71-N73 PolarHBondContact OE2-ND2 2.94Å
74	F	29.3	Very low	30.9	Very low	176 Å²	176	131.7 Å²	131.7	77%	0.772	77%	0.77	S	S	*	*			trans	-126.5	111	166.6	-69.5	-65.5	0	0	0	110.1	L72	L72-F74 HydrophobicContact CB-CD2 4.24Å; L72-F74 HydrophobicContact CB-CE2 3.75Å; L72-F74 HydrophobicContact CB-CZ 4.46Å; L72-F74 HydrophobicContact CD1-CE2 4.17Å; L72-F74 HydrophobicContact CG-CE2 4.4Å; L72-F74 PolarHBondContact O-N 3.29Å
75	T	29.9	Very low	31	Very low	138 Å²	138	133 Å²	133	85%	0.847	78%	0.779	S	S	*	*			trans	-75.6	124.5	173.6	42.2	0	0	0	0	111
76	E	30.2	Very low	31.1	Very low	189 Å²	189	130.8 Å²	130.8	88%	0.883	78%	0.777	S	S	*	*			trans	-75.4	132.4	165.2	-171.5	179.5	171.4	0	0	110.1
77	S	28.5	Very low	31.1	Very low	105 Å²	105	133.5 Å²	133.5	73%	0.734	78%	0.781	S	S	*	*			trans	-150	148	158.7	67.3	0	0	0	0	110.4
78	P	42.5	Very low	31	Very low	113 Å²	113	135.1 Å²	135.1	73%	0.734	78%	0.78	S	S	*	*			trans	-115.8	145.1	-148	38	-27.7	0	0	0	114.6
79	T	30.7	Very low	31	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	78%	0.78	S	S	*	*			trans	-152.3	114.3	151	40.4	0	0	0	0	111.4
80	D	30.5	Very low	30.9	Very low	162 Å²	162	133.8 Å²	133.8	87%	0.866	78%	0.777	S	S	*	*			trans	49.6	127.6	139.4	-55.1	-24.9	0	0	0	122.4
81	G	31.6	Very low	31	Very low	74 Å²	74	135.1 Å²	135.1	76%	0.763	78%	0.783	S	S	*	*				138.2	74.4	122.3	0	0	0	0	0	119.8
82	S	32.1	Very low	30.9	Very low	134 Å²	134	134.9 Å²	134.9	94%	0.937	79%	0.786	S	S	*	*			trans	73.9	155.6	156.2	-156.2	0	0	0	0	118.6
83	A	37	Very low	31	Very low	102 Å²	102	134.6 Å²	134.6	84%	0.843	79%	0.793	S	S	*	*			trans	-94.5	136.8	-165.6	0	0	0	0	0	113.8
84	G	33.6	Very low	30.8	Very low	59 Å²	59	136.3 Å²	136.3	61%	0.608	80%	0.801	S	S	*	*			trans	-162.6	114	166.2	0	0	0	0	0	109.9	T86	G84-T86 PolarHBondContact O-N 3.05Å
85	N	33	Very low	30.7	Very low	180 Å²	180	133.5 Å²	133.5	96%	0.963	80%	0.798	S	S	*	*			trans	-74.7	89.6	179.1	-77.8	-8.7	0	0	0	110.3
86	T	30.3	Very low	30.4	Very low	114 Å²	114	135.8 Å²	135.8	70%	0.699	80%	0.802	S	S	*	*			trans	-110.9	117.7	176	-52.4	0	0	0	0	109.5	G84 Q88	G84-T86 PolarHBondContact O-N 3.05Å; T86-Q88 HydrophobicContact CG2-CB 4.37Å
87	I	32.5	Very low	30.2	Very low	159 Å²	159	135.4 Å²	135.4	82%	0.815	80%	0.8	S	S	*	*			trans	-95.3	106.1	164.4	-61.5	178.3	0	0	0	106.8	I89	I87-I89 HydrophobicContact CG2-CD1 4.39Å; I87-I89 HydrophobicContact CG2-CG1 4.22Å
88	Q	27	Very low	30.1	Very low	174 Å²	174	139 Å²	139	81%	0.813	81%	0.805	S	S	*	*			trans	-108.8	112.3	175.5	-161.8	175.8	18.6	0	0	108.3	T86	T86-Q88 HydrophobicContact CG2-CB 4.37Å
89	I	29.2	Very low	29.6	Very low	150 Å²	150	139.8 Å²	139.8	77%	0.769	81%	0.81	S	S	*	*			trans	-103.9	103.7	171.1	-61.8	167.6	0	0	0	106	I87	I87-I89 HydrophobicContact CG2-CD1 4.39Å; I87-I89 HydrophobicContact CG2-CG1 4.22Å
90	S	25.4	Very low	29.3	Very low	96 Å²	96	141 Å²	141	67%	0.671	81%	0.811	S	S	*	*			trans	-88.5	148.2	161	70.1	0	0	0	0	109.3
91	M	29.8	Very low	29.2	Very low	178 Å²	178	141.1 Å²	141.1	88%	0.877	81%	0.812	S	S	*	*			trans	-141.5	94.9	175.6	-179.7	163.4	63.3	0	0	107.2
92	D	28.2	Very low	28.9	Very low	146 Å²	146	145.1 Å²	145.1	78%	0.781	81%	0.813	S	S	*	*			trans	-99.1	127.7	177.8	-70	-52.2	0	0	0	110.4
93	C	29.7	Very low	28.7	Very low	120 Å²	120	144.6 Å²	144.6	81%	0.811	80%	0.804	S	S	*	*			trans	-82.4	145.8	176.2	55.6	0	0	0	0	110.3
94	I	25.5	Very low	28.1	Very low	166 Å²	166	144.4 Å²	144.4	85%	0.851	80%	0.796	S	S	*	*			trans	-126.8	117.7	168.4	-62.4	-176.4	0	0	0	110.1
95	T	26.6	Very low	27.7	Very low	116 Å²	116	146 Å²	146	71%	0.712	80%	0.798	S	S	*	*			trans	-66.4	141.5	170.8	-37.3	0	0	0	0	110.4	H97	T95-H97 PolarHBondContact O-N 3.48Å; T95-H97 VanDerWaalsContact O-N 3.16Å
96	M	24.8	Very low	27.4	Very low	187 Å²	187	145.4 Å²	145.4	92%	0.921	79%	0.79	S	S	*	*			trans	-63.2	115.9	169.2	-71.5	-74.5	-70.8	0	0	109.9
97	H	25.1	Very low	27.2	Very low	181 Å²	181	149.4 Å²	149.4	84%	0.838	79%	0.793	S	S	*	*			trans	-129	138.6	167.6	-124.8	-85.4	0	0	0	108.5	T95	T95-H97 PolarHBondContact O-N 3.48Å; T95-H97 VanDerWaalsContact O-N 3.16Å
98	E	28.1	Very low	26.9	Very low	180 Å²	180	146.8 Å²	146.8	84%	0.841	79%	0.785	S	S	*	*			trans	-67	153.3	-176.6	-75.3	-165.5	120.2	0	0	113
99	P	30.9	Very low	26.9	Very low	129 Å²	129	144.8 Å²	144.8	84%	0.838	78%	0.78	S	S	*	*			trans	-74.5	123.4	170	31.6	-32.4	0	0	0	110.1
100	D	25.1	Very low	26.7	Very low	154 Å²	154	145.2 Å²	145.2	82%	0.824	78%	0.783	S	S	*	*			trans	-107.4	116.1	168.8	-156.7	4.3	0	0	0	107.8
101	D	28.1	Very low	26.7	Very low	164 Å²	164	143.6 Å²	143.6	88%	0.877	78%	0.781	S	S	*	*			trans	-139.1	120.8	162.5	-138.7	-13.2	0	0	0	109.2
102	M	25.9	Very low	26.6	Very low	158 Å²	158	143.3 Å²	143.3	78%	0.778	78%	0.782	S	S	*	*			trans	-87.9	135.9	-163.1	-157.7	-178.6	46.7	0	0	108.5
103	V	27	Very low	26.6	Very low	123 Å²	123	143.2 Å²	143.2	75%	0.745	78%	0.781	S	S	*	*				176.5	135.3	80.6	163.2	0	0	0	0	107.2
104	S	24.9	Very low	26.5	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	78%	0.78	S	S	*	*			trans	159.1	130.5	130.5	-174	0	0	0	0	113.2
105	S	25.7	Very low	26.6	Very low	92 Å²	92	140.9 Å²	140.9	64%	0.643	77%	0.769	S	S	*	*			trans	60.6	106.6	154.4	-66.8	0	0	0	0	119.1
106	Q	25.5	Very low	26.8	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	78%	0.777	S	S	*	*				94.4	126.4	71.2	-90.1	-175.6	30.1	0	0	114.7
107	Y	26.6	Very low	27.1	Very low	197 Å²	197	142.7 Å²	142.7	77%	0.773	77%	0.77	S	S	*	*			trans	72.8	106.2	152.1	-83.4	-85.4	0	0	0	122.2
108	T	26.3	Very low	27.3	Very low	105 Å²	105	143.3 Å²	143.3	64%	0.644	77%	0.773	S	S	*	*				64.7	133.8	127.9	50.4	0	0	0	0	124.7
109	N	25.7	Very low	27.4	Very low	132 Å²	132	141 Å²	141	71%	0.706	77%	0.767	S	S	*	*			trans	78.5	140.4	132.1	-82.8	-36.9	0	0	0	122
110	L	25.5	Very low	27.2	Very low	159 Å²	159	142.4 Å²	142.4	83%	0.832	77%	0.767	S	S	*	*			trans	54.4	143.8	150.5	-84	62	0	0	0	117.5
111	G	25	Very low	27.3	Very low	62 Å²	62	138.2 Å²	138.2	64%	0.639	76%	0.76	S	S	*	*			cis	121.8	108	13.5	0	0	0	0	0	111
112	L	28.2	Very low	27.4	Very low	172 Å²	172	135.8 Å²	135.8	90%	0.901	76%	0.756	S	S	*	*			trans	68.8	135.4	160.8	-64.8	162.6	0	0	0	120.4
113	L	27.8	Very low	27.5	Very low	144 Å²	144	134.8 Å²	134.8	75%	0.754	76%	0.759	S	S	*	*				162.8	139.1	123.4	-84.7	168.2	0	0	0	108
114	N	29	Very low	27.6	Very low	146 Å²	146	133.4 Å²	133.4	78%	0.781	75%	0.754	S	S	*	*			cis	-127.7	145.5	17.4	-65.4	-64.3	0	0	0	109.6
115	S	27.5	Very low	27.9	Very low	90 Å²	90	134.8 Å²	134.8	63%	0.629	76%	0.759	S	S	*	*			cis	84.6	108.2	44	-165.3	0	0	0	0	115
116	M	30.2	Very low	28.2	Very low	177 Å²	177	135.8 Å²	135.8	87%	0.872	77%	0.766	S	S	*	*				-163.8	143.3	120.4	-152.6	70.6	-174	0	0	110.5
117	E	30.7	Very low	29	Very low	165 Å²	165	132.7 Å²	132.7	77%	0.771	76%	0.761	S	S	*	*			trans	-88.8	160.5	-172	-60.4	160.4	91.7	0	0	115.2
118	Q	30.6	Very low	29.2	Very low	193 Å²	193	134.2 Å²	134.2	90%	0.902	77%	0.767	S	S	*	*				168.7	145.8	126.1	-91.7	172.9	23.2	0	0	109.6
119	N	28.3	Very low	29.3	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	77%	0.77	S	S	*	*			cis	-168.2	142.7	-21.8	178.6	17.4	0	0	0	107
120	N	27.8	Very low	29.5	Very low	157 Å²	157	134.9 Å²	134.9	84%	0.84	77%	0.766	S	S	*	*			trans	42.7	139.1	164.6	-91.7	-5.5	0	0	0	121.2
121	G	27.2	Very low	29.9	Very low	66 Å²	66	134.2 Å²	134.2	68%	0.68	76%	0.759	S	S	*	*			cis	-170	162.9	5.3	0	0	0	0	0	112
122	S	29	Very low	30.4	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	77%	0.768	S	S	*	*			trans	-99.1	-170.2	-164.3	-47.4	0	0	0	0	114.3
123	T	28.1	Very low	30.6	Very low	138 Å²	138	135.8 Å²	135.8	85%	0.847	76%	0.759	S	S	*	*			trans	91.6	135	163.9	68.7	0	0	0	0	117.7
124	S	31	Very low	31.6	Very low	93 Å²	93	134 Å²	134	65%	0.65	76%	0.756	S	S	*	*			cis	-163.6	179.9	-14.6	59.5	0	0	0	0	113
125	T	30.1	Very low	31.8	Very low	128 Å²	128	134.6 Å²	134.6	79%	0.785	76%	0.76	S	S	*	*			trans	75	113	145.8	41	0	0	0	0	120.8
126	S	31.2	Very low	31.9	Very low	113 Å²	113	136 Å²	136	79%	0.79	77%	0.77	S	S	*	*			trans	-58.8	-170.6	154.7	-26.3	0	0	0	0	112.7
127	P	43.9	Very low	32.4	Very low	104 Å²	104	134.1 Å²	134.1	68%	0.675	77%	0.768	S	S	*	*			cis	-139.1	172.6	0	35.6	-14.7	0	0	0	116.3
128	Y	29.5	Very low	32.5	Very low	229 Å²	229	132.7 Å²	132.7	90%	0.898	77%	0.77	S	S	*	*				173	174.1	121.8	-110.6	-86.4	0	0	0	113
129	N	28.2	Very low	32.6	Very low	135 Å²	135	127.6 Å²	127.6	72%	0.722	76%	0.761	S	S	*	*			trans	-115.2	164.5	-162.1	-179.3	45.1	0	0	0	114.1
130	N	30.7	Very low	33.1	Very low	115 Å²	115	127 Å²	127	62%	0.615	77%	0.765	S	S	*	*			trans	102	152.1	150.2	-123.5	65.6	0	0	0	121
131	E	34.9	Very low	33.3	Very low	146 Å²	146	124 Å²	124	68%	0.682	76%	0.756	S	S	*	*			trans	-64	149.7	-166.3	-54	149.3	92.8	0	0	114.9
132	H	34.5	Very low	33.9	Very low	178 Å²	178	127.3 Å²	127.3	82%	0.824	77%	0.766	S	S	*	*				169	139.8	121.5	-92.1	46.9	0	0	0	110.7
133	A	33.3	Very low	34.7	Very low	88 Å²	88	132.2 Å²	132.2	73%	0.727	77%	0.768	S	S	*	*			trans	-97.4	168.5	159	0	0	0	0	0	108.8
134	P	47.8	Very low	35.2	Very low	106 Å²	106	129.6 Å²	129.6	69%	0.688	76%	0.76	S	S	*	*			cis	-134.7	-174.9	7.4	41.6	-23.8	0	0	0	115.5
135	N	33.9	Very low	35.5	Very low	159 Å²	159	132.7 Å²	132.7	85%	0.85	77%	0.765	S	S	*	*			trans	65.5	97.7	158.8	-64.1	-12.2	0	0	0	119.6
136	S	29.8	Very low	35.8	Very low	120 Å²	120	132.2 Å²	132.2	84%	0.839	76%	0.764	S	S	*	*			trans	-148.8	147.5	140	-171.3	0	0	0	0	111
137	V	39.3	Very low	36	Very low	138 Å²	138	131.9 Å²	131.9	84%	0.836	76%	0.762	S	S	*	*			trans	-79.6	133.9	-174.5	175.2	0	0	0	0	111
138	T	34.1	Very low	35.6	Very low	134 Å²	134	131.6 Å²	131.6	82%	0.822	76%	0.762	S	S	*	*			trans	-137.9	143.1	164.6	-49.5	0	0	0	0	110
139	A	32.5	Very low	35.9	Very low	86 Å²	86	127.7 Å²	127.7	71%	0.711	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-68.3	152.1	-164	0	0	0	0	0	115.4
140	P	38.5	Very low	36.3	Very low	122 Å²	122	129 Å²	129	79%	0.792	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-73.3	139.9	173.2	31.1	-34.2	0	0	0	111.7
141	S	32.2	Very low	36.8	Very low	94 Å²	94	131.1 Å²	131.1	66%	0.657	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-68.8	148.1	170.5	-70.6	0	0	0	0	111.4	Y143 A144	S141-Y143 PolarHBondContact O-N 2.94Å; S141-A144 PolarHBondContact O-N 3.34Å
142	P	40.3	Very low	36.9	Very low	135 Å²	135	127.1 Å²	127.1	88%	0.877	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	11.4	-171.6	-18.8	32.9	0	0	0	116.6
143	Y	45.4	Very low	37.3	Very low	216 Å²	216	126.5 Å²	126.5	85%	0.847	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.9	8	-172	-106.1	-90.7	0	0	0	114.4	S141 Q145	S141-Y143 PolarHBondContact O-N 2.94Å; Y143-Q145 PolarHBondContact O-N 3.48Å; Y143-Q145 VanDerWaalsContact O-N 3.16Å
144	A	37.6	Very low	37.6	Very low	82 Å²	82	127 Å²	127	68%	0.678	77%	0.765	S	S	*	*			trans	-69.8	109.3	168.1	0	0	0	0	0	109.5	S141	S141-A144 PolarHBondContact O-N 3.34Å
145	Q	38.3	Very low	37.8	Very low	158 Å²	158	126.3 Å²	126.3	74%	0.738	76%	0.76	S	S	*	*			trans	-55.3	142.3	164.3	-65.5	-72	-73.1	0	0	108.8	Y143 S147	Y143-Q145 PolarHBondContact O-N 3.48Å; Y143-Q145 VanDerWaalsContact O-N 3.16Å; Q145-S147 PolarHBondContact O-N 2.92Å
146	P	35.9	Very low	39.1	Very low	119 Å²	119	122 Å²	122	77%	0.773	74%	0.743	S	S	*	*			trans	-64.8	111.1	179.9	26.4	-33.2	0	0	0	109.9	S148	P146-S148 PolarHBondContact O-N 2.91Å
147	S	35.6	Very low	41	Very low	106 Å²	106	121.2 Å²	121.2	74%	0.741	74%	0.735	S	S	*	*			trans	-56.5	111.6	166	-57.7	0	0	0	0	108.3	Q145 T149	Q145-S147 PolarHBondContact O-N 2.92Å; S147-T149 PolarHBondContact O-N 2.94Å
148	S	34.3	Very low	42.7	Very low	97 Å²	97	118 Å²	118	68%	0.678	72%	0.722	S	S	*	*			trans	-62.8	99.2	176.7	171.2	0	0	0	0	109.8	P146 F150	P146-S148 PolarHBondContact O-N 2.91Å; S148-F150 PolarHBondContact O-N 3.08Å; S148-F150 VanDerWaalsContact O-N 3.12Å; S148-F150 PolarHBondContact OG-N 3.39Å
149	T	36.6	Very low	45.2	Very low	147 Å²	147	115.8 Å²	115.8	90%	0.902	71%	0.705	S	S	*	*			trans	-76.1	24.6	166.1	33.3	0	0	0	0	112.7	S147	S147-T149 PolarHBondContact O-N 2.94Å
150	F	37.4	Very low	47.8	Very low	163 Å²	163	112.9 Å²	112.9	72%	0.715	68%	0.678	S	S	*	*			trans	-86.9	111.8	158.3	-144.9	-95.8	0	0	0	107.5	S148 A152	S148-F150 PolarHBondContact O-N 3.08Å; S148-F150 VanDerWaalsContact O-N 3.12Å; S148-F150 PolarHBondContact OG-N 3.39Å; F150-A152 HydrophobicContact CD1-CB 4.05Å; F150-A152 PolarHBondContact O-N 3.18Å
151	D	41	Very low	50.2	Low	160 Å²	160	109.6 Å²	109.6	86%	0.856	66%	0.659	S	S	*	*			trans	-62.6	78	157.1	-84.2	-46.6	0	0	0	107.7	L153	D151-L153 PolarHBondContact O-N 2.95Å
152	A	36	Very low	53	Low	62 Å²	62	109.1 Å²	109.1	51%	0.512	65%	0.649	S	S	.	*			trans	-73.8	82.4	177.9	0	0	0	0	0	108.1	F150 S154	F150-A152 HydrophobicContact CD1-CB 4.05Å; F150-A152 PolarHBondContact O-N 3.18Å; A152-S154 PolarHBondContact O-N 3.18Å
153	L	42.8	Very low	55.5	Low	165 Å²	165	106.9 Å²	106.9	86%	0.864	63%	0.633	S	S	*	*			trans	-50.8	86.9	146.3	-67.1	174.5	0	0	0	106.7	D151 P155	D151-L153 PolarHBondContact O-N 2.95Å; L153-P155 WeakPolarHBondContact O-CD 3.41Å; L153-P155 VanDerWaalsContact O-N 3.1Å
154	S	39.2	Very low	58	Low	99 Å²	99	99.9 Å²	99.9	69%	0.692	61%	0.61	S	S	*	*			trans	-60.4	118.2	179	-75.2	0	0	0	0	106	A152 S156	A152-S154 PolarHBondContact O-N 3.18Å; S154-S156 PolarHBondContact O-N 3.32Å; S154-S156 VanDerWaalsContact O-N 3.16Å
155	P	53.9	Low	60.8	Low	90 Å²	90	101.2 Å²	101.2	58%	0.584	60%	0.598	S	S	*	*			trans	-59.4	126.7	-169.7	23	-33.5	0	0	0	108.8	L153 I274	L153-P155 WeakPolarHBondContact O-CD 3.41Å; L153-P155 VanDerWaalsContact O-N 3.1Å; P155-I274 HydrophobicContact CB-CD1 3.73Å
156	S	60.5	Low	63.6	Low	69 Å²	69	95.4 Å²	95.4	48%	0.483	58%	0.577	S	S	.	*			trans	-44.4	130.3	175.4	-65	0	0	0	0	109.5	S154 A158	S154-S156 PolarHBondContact O-N 3.32Å; S154-S156 VanDerWaalsContact O-N 3.16Å; S156-A158 PolarHBondContact O-N 3.46Å; S156-A158 VanDerWaalsContact O-N 3.13Å
157	P	69.3	Low	66.5	Low	104 Å²	104	90.7 Å²	90.7	68%	0.675	55%	0.55	S	S	*	.			trans	-52.3	124.2	-176	-28.9	34.9	0	0	0	111.5	I159	P157-I159 CarbonylContact O-C 3.49Å; P157-I159 PolarHBondContact O-N 3.44Å
158	A	75.8	Confident	69.4	Low	69 Å²	69	89.7 Å²	89.7	57%	0.57	54%	0.541	S	S	*	.	S	Bend	trans	-55	-26.3	-173.6	0	0	0	0	0	113.5	S156 T275 R277	S156-A158 PolarHBondContact O-N 3.46Å; S156-A158 VanDerWaalsContact O-N 3.13Å; A158-T275 HydrophobicContact CB-CG2 4.4Å; A158-R277 PolarHBondContact O-NE 3.28Å; A158-R277 VanDerWaalsContact O-NE 3.15Å; A158-R277 PolarHBondContact O-NH2 3.03Å
159	I	85.4	Confident	72.3	Confident	89 Å²	89	86.2 Å²	86.2	46%	0.456	51%	0.514	S	S	.	.	S	Bend	trans	-110.1	110.6	166.9	-57.7	175.1	0	0	0	107.8	P157 V231 T232	P157-I159 CarbonylContact O-C 3.49Å; P157-I159 PolarHBondContact O-N 3.44Å; I159-V231 HydrophobicContact CD1-CG1 4.09Å; I159-V231 HydrophobicContact CG1-CG1 4.39Å; I159-V231 HydrophobicContact CG2-CG1 4.15Å; I159-V231 HydrophobicContact CG2-CG2 4.04Å; I159-T232 HydrophobicContact CD1-CG2 4.11Å; I159-T232 HydrophobicContact CG1-CG2 4.2Å
160	P	87.1	Confident	75.2	Confident	24 Å²	24	82.3 Å²	82.3	16%	0.156	49%	0.49	C	S	.	.			trans	-69.9	138.3	175.1	30.7	-36.3	0	0	0	110.1	M222 V224 I318	P160-M222 HydrophobicContact CB-CE 3.55Å; P160-M222 HydrophobicContact CG-CE 3.71Å; P160-V224 HydrophobicContact CG-CG1 3.7Å; P160-I318 HydrophobicContact CB-CD1 4.03Å; P160-I318 HydrophobicContact CG-CD1 3.98Å
161	S	89.4	Confident	78.1	Confident	54 Å²	54	74.6 Å²	74.6	38%	0.378	46%	0.456	S	S	.	.			trans	-71.4	135.3	177.9	166.6	0	0	0	0	110.9	R331	S161-R331 WeakPolarHBondContact O-CD 3.47Å; S161-R331 VanDerWaalsContact O-CZ 3.22Å; S161-R331 PolarHBondContact O-NE 3.06Å; S161-R331 PolarHBondContact O-NH1 3Å; S161-R331 VanDerWaalsContact O-NH1 3.15Å; S161-R331 PolarHBondContact OG-NH2 3.34Å
162	N	91	Very high	80.8	Confident	84 Å²	84	69.8 Å²	69.8	45%	0.449	43%	0.431	S	S	.	.			trans	-105.6	15.8	-176.6	63.3	-10.3	0	0	0	113	L316 C333	N162-L316 HydrophobicContact CB-CD1 4.04Å; N162-C333 PolarHBondContact O-SG 3.37Å
163	T	93.7	Very high	83.7	Confident	88 Å²	88	67.6 Å²	67.6	54%	0.54	41%	0.411	S	S	.	.			trans	-85.7	126.2	179.6	-47.9	0	0	0	0	110	Y165 R331	T163-Y165 PolarHBondContact O-N 2.93Å; T163-R331 VanDerWaalsContact O-CZ 3.22Å; T163-R331 PolarHBondContact O-NE 2.69Å; T163-R331 PolarHBondContact O-NH2 2.8Å
164	D	96.5	Very high	86.2	Confident	69 Å²	69	61 Å²	61	37%	0.369	38%	0.378	S	S	.	.			trans	-56.9	135.3	175	-70.3	-34.2	0	0	0	110.9	K193 R332 C333	D164-K193 IonicContact OD2-NZ 3.31Å; D164-R332 WeakPolarHBondContact OD1-CA 3.14Å; D164-C333 PolarHBondContact OD1-N 2.73Å
165	Y	97.6	Very high	88.9	Confident	110 Å²	110	57.4 Å²	57.4	43%	0.431	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-142.4	106.6	-179.7	169.3	-116.2	0	0	0	108.5	T163 G167 G330 R331 R332	T163-Y165 PolarHBondContact O-N 2.93Å; Y165-G167 VanDerWaalsContact C-N 3.32Å; Y165-G330 CarbonylContact O-C 3.56Å; Y165-G330 WeakPolarHBondContact O-CA 3.49Å; Y165-R331 CarbonylContact C-O 3.56Å; Y165-R331 PolarHBondContact N-O 3.3Å; Y165-R331 PolarHBondContact O-N 3.13Å; Y165-R331 VanDerWaalsContact O-O 3.05Å; Y165-R332 VanDerWaalsContact C-NH1 3.32Å; Y165-R332 PolarHBondContact O-NH1 3.4Å
166	A	97	Very high	90.7	Very high	36 Å²	36	58.8 Å²	58.8	30%	0.298	35%	0.349	S	S	.	.			trans	-67.8	-34.1	-179.7	0	0	0	0	0	112.4	T170 F171 R332	A166-T170 CarbonylContact O-C 3.54Å; A166-T170 WeakPolarHBondContact O-CA 3.41Å; A166-T170 PolarHBondContact O-N 3.38Å; A166-F171 WeakPolarHBondContact O-CB 3.29Å; A166-F171 PolarHBondContact O-N 3.42Å; A166-R332 VanDerWaalsContact CA-NH1 3.33Å; A166-R332 VanDerWaalsContact N-NH1 3.19Å
167	G	96.4	Very high	92	Very high	19 Å²	19	64.8 Å²	64.8	20%	0.196	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	-173.4	-179.3	0	0	0	0	0	114.6	Y165 H169 T170 L329	Y165-G167 VanDerWaalsContact C-N 3.32Å; G167-H169 PolarHBondContact O-N 3.11Å; G167-T170 PolarHBondContact O-N 3.28Å; G167-T170 VanDerWaalsContact O-N 3.13Å; G167-L329 WeakPolarHBondContact CA-O 3.42Å
168	P	96.4	Very high	92.9	Very high	86 Å²	86	60.9 Å²	60.9	56%	0.558	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.9	-172.8	23.5	-34.8	0	0	0	114.6	L329	P168-L329 WeakPolarHBondContact CD-O 3.49Å
169	H	95.9	Very high	93.5	Very high	23 Å²	23	61.3 Å²	61.3	11%	0.106	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	7.4	179.6	-59.4	-68.2	0	0	0	113.7	G167 F171 V209 L210 T211 P212 L321	G167-H169 PolarHBondContact O-N 3.11Å; H169-F171 PolarHBondContact O-N 3.42Å; H169-V209 HydrophobicContact CB-CB 4.32Å; H169-V209 HydrophobicContact CB-CG1 4.26Å; H169-V209 WeakPolarHBondContact O-CA 3.5Å; H169-L210 PolarHBondContact O-N 2.98Å; H169-T211 PolarHBondContact ND1-O 2.85Å; H169-T211 PolarHBondContact ND1-OG1 3.08Å; H169-P212 PolarHBondContact CE1-O 3.04Å; H169-P212 PolarHBondContact ND1-O 3.36Å; H169-L321 HydrophobicContact CB-CD2 4.18Å
170	T	96.8	Very high	93.8	Very high	66 Å²	66	60.5 Å²	60.5	41%	0.405	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.6	46	-170.7	73.8	0	0	0	0	112.7	A166 G167 D172 L210	A166-T170 CarbonylContact O-C 3.54Å; A166-T170 WeakPolarHBondContact O-CA 3.41Å; A166-T170 PolarHBondContact O-N 3.38Å; G167-T170 PolarHBondContact O-N 3.28Å; G167-T170 VanDerWaalsContact O-N 3.13Å; T170-D172 PolarHBondContact O-N 3.47Å; T170-L210 HydrophobicContact CG2-CB 4.46Å; T170-L210 HydrophobicContact CG2-CD2 4.23Å; T170-L210 WeakPolarHBondContact OG1-CB 3.46Å
171	F	98.1	Very high	94.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.351	C	S	.	.			trans	-54.2	127.2	-177.2	176.1	-102.9	0	0	0	111.2	A166 H169 V173 I207 K208 V209 I219 V319 L321 R332	A166-F171 WeakPolarHBondContact O-CB 3.29Å; A166-F171 PolarHBondContact O-N 3.42Å; H169-F171 PolarHBondContact O-N 3.42Å; F171-V173 HydrophobicContact CE1-CG2 3.98Å; F171-V173 HydrophobicContact CZ-CG2 3.85Å; F171-I207 HydrophobicContact CD2-CG2 4.38Å; F171-I207 HydrophobicContact CE2-CG2 3.67Å; F171-K208 WeakPolarHBondContact CA-O 3.5Å; F171-V209 HydrophobicContact CD2-CG1 4.03Å; F171-I219 HydrophobicContact CE2-CD1 3.86Å; F171-V319 HydrophobicContact CZ-CG1 3.94Å; F171-L321 HydrophobicContact CB-CD2 4.31Å; F171-L321 HydrophobicContact CD1-CB 4.5Å; F171-L321 HydrophobicContact CD2-CB 3.56Å; F171-L321 HydrophobicContact CD2-CD2 3.98Å; F171-L321 HydrophobicContact CD2-CG 4.33Å; F171-L321 HydrophobicContact CE2-CB 3.73Å; F171-L321 HydrophobicContact CG-CB 3.95Å; F171-L321 HydrophobicContact CG-CD2 4.42Å; F171-L321 HydrophobicContact CZ-CB 4.3Å; F171-R332 HydrophobicContact CD1-CG 4.17Å; F171-R332 HydrophobicContact CE1-CB 4.2Å; F171-R332 HydrophobicContact CE1-CG 4.18Å; F171-R332 PolarHBondContact O-NH1 3.09Å; F171-R332 PolarHBondContact O-NH2 3.2Å
172	D	97.5	Very high	94	Very high	60 Å²	60	67.9 Å²	67.9	32%	0.321	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	158.8	179.8	-159.8	50.4	0	0	0	112	T170 K208 R332	T170-D172 PolarHBondContact O-N 3.47Å; D172-K208 HydrophobicContact CB-CB 4.25Å; D172-K208 PolarHBondContact N-O 2.87Å; D172-K208 PolarHBondContact O-N 3.05Å; D172-R332 IonicContact OD1-CZ 2.67Å; D172-R332 IonicContact OD1-NE 3.33Å; D172-R332 PolarHBondContact OD1-NE 2.78Å; D172-R332 IonicContact OD1-NH2 2.66Å; D172-R332 PolarHBondContact OD1-NH2 3.38Å; D172-R332 VanDerWaalsContact OD1-NH2 3.11Å
173	V	97.7	Very high	94	Very high	16 Å²	16	68.9 Å²	68.9	10%	0.097	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.8	-178.1	174	0	0	0	0	108.7	F171 F175 I205 Q206 I207 V319 R332 F334	F171-V173 HydrophobicContact CE1-CG2 3.98Å; F171-V173 HydrophobicContact CZ-CG2 3.85Å; V173-F175 HydrophobicContact CG1-CE2 4.19Å; V173-F175 HydrophobicContact CG1-CZ 4.3Å; V173-I205 HydrophobicContact CG1-CG2 3.4Å; V173-Q206 WeakPolarHBondContact CA-O 3.47Å; V173-I207 HydrophobicContact CG2-CD1 4.14Å; V173-V319 HydrophobicContact CG2-CB 4.21Å; V173-V319 HydrophobicContact CG2-CG1 4.24Å; V173-R332 HydrophobicContact CB-CB 4.03Å; V173-R332 HydrophobicContact CB-CG 4.28Å; V173-R332 HydrophobicContact CG2-CB 3.75Å; V173-R332 HydrophobicContact CG2-CG 4.11Å; V173-F334 HydrophobicContact CG1-CE1 4.38Å
174	S	96	Very high	94.1	Very high	25 Å²	25	65.3 Å²	65.3	18%	0.175	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	163.7	179.7	65.1	0	0	0	0	112.6	Q206 K208	S174-Q206 PolarHBondContact N-O 3.41Å; S174-Q206 WeakPolarHBondContact O-CB 3.26Å; S174-Q206 PolarHBondContact O-N 3Å; S174-Q206 WeakPolarHBondContact OG-CB 3.32Å; S174-Q206 PolarHBondContact OG-OE1 2.8Å; S174-K208 WeakPolarHBondContact OG-CE 3.45Å
175	F	95.9	Very high	94.1	Very high	25 Å²	25	64.5 Å²	64.5	11%	0.11	36%	0.364	C	S	.	.			trans	-128.4	135.7	179.6	-60.8	-95.6	0	0	0	108.1	V173 Y188 L195 I205 F334	V173-F175 HydrophobicContact CG1-CE2 4.19Å; V173-F175 HydrophobicContact CG1-CZ 4.3Å; F175-Y188 HydrophobicContact CB-CD1 3.91Å; F175-Y188 HydrophobicContact CB-CD2 4.49Å; F175-Y188 HydrophobicContact CB-CG 3.79Å; F175-Y188 AromaticContact CD1-CD2 3.99Å; F175-Y188 HydrophobicContact CD1-CD2 3.99Å; F175-Y188 HydrophobicContact CD1-CG 4.08Å; F175-Y188 AromaticContact CD2-CD1 3.56Å; F175-Y188 HydrophobicContact CD2-CD1 3.56Å; F175-Y188 AromaticContact CD2-CD2 3.48Å; F175-Y188 HydrophobicContact CD2-CD2 3.48Å; F175-Y188 VanDerWaalsContact CD2-CD2 3.48Å; F175-Y188 AromaticContact CD2-CE1 3.59Å; F175-Y188 HydrophobicContact CD2-CE1 3.59Å; F175-Y188 AromaticContact CD2-CE2 3.53Å; F175-Y188 HydrophobicContact CD2-CE2 3.53Å; F175-Y188 AromaticContact CD2-CG 3.49Å; F175-Y188 HydrophobicContact CD2-CG 3.49Å; F175-Y188 VanDerWaalsContact CD2-CG 3.49Å; F175-Y188 AromaticContact CD2-CZ 3.56Å; F175-Y188 HydrophobicContact CE1-CD2 4.02Å; F175-Y188 HydrophobicContact CE1-CE2 4.44Å; F175-Y188 HydrophobicContact CE2-CD1 4.32Å; F175-Y188 AromaticContact CE2-CD2 3.54Å; F175-Y188 HydrophobicContact CE2-CD2 3.54Å; F175-Y188 HydrophobicContact CE2-CE1 4.07Å; F175-Y188 AromaticContact CE2-CE2 3.26Å; F175-Y188 HydrophobicContact CE2-CE2 3.26Å; F175-Y188 HydrophobicContact CE2-CG 4.07Å; F175-Y188 AromaticContact CE2-CZ 3.53Å; F175-Y188 AromaticContact CG-CD1 3.88Å; F175-Y188 HydrophobicContact CG-CD1 3.88Å; F175-Y188 AromaticContact CG-CD2 3.72Å; F175-Y188 HydrophobicContact CG-CD2 3.72Å; F175-Y188 HydrophobicContact CG-CE1 4.37Å; F175-Y188 HydrophobicContact CG-CE2 4.26Å; F175-Y188 AromaticContact CG-CG 3.5Å; F175-Y188 HydrophobicContact CG-CG 3.5Å; F175-Y188 AromaticContact CZ-CD2 3.81Å; F175-Y188 HydrophobicContact CZ-CD2 3.81Å; F175-Y188 AromaticContact CZ-CE2 3.76Å; F175-Y188 HydrophobicContact CZ-CE2 3.76Å; F175-L195 HydrophobicContact CD1-CD1 4.25Å; F175-L195 HydrophobicContact CE1-CB 4.47Å; F175-L195 HydrophobicContact CE1-CD1 4.09Å; F175-L195 HydrophobicContact CE1-CD2 4.28Å; F175-I205 HydrophobicContact CD1-CG1 4.3Å; F175-I205 HydrophobicContact CE1-CD1 3.81Å; F175-I205 HydrophobicContact CE1-CG1 3.78Å; F175-I205 HydrophobicContact CE1-CG2 4.24Å; F175-I205 HydrophobicContact CZ-CD1 4.34Å; F175-I205 HydrophobicContact CZ-CG2 4.39Å; F175-F334 HydrophobicContact CE1-CE2 4.46Å; F175-F334 HydrophobicContact CE1-CZ 4.45Å; F175-F334 HydrophobicContact CE2-CD1 4.42Å; F175-F334 HydrophobicContact CE2-CG 4.45Å; F175-F334 AromaticContact CZ-CD1 3.88Å; F175-F334 HydrophobicContact CZ-CD1 3.88Å; F175-F334 AromaticContact CZ-CD2 3.99Å; F175-F334 HydrophobicContact CZ-CD2 3.99Å; F175-F334 AromaticContact CZ-CE1 3.9Å; F175-F334 HydrophobicContact CZ-CE1 3.9Å; F175-F334 HydrophobicContact CZ-CE2 4.02Å; F175-F334 AromaticContact CZ-CG 3.93Å; F175-F334 HydrophobicContact CZ-CG 3.93Å; F175-F334 AromaticContact CZ-CZ 3.98Å; F175-F334 HydrophobicContact CZ-CZ 3.98Å
176	Q	91.4	Very high	94.1	Very high	118 Å²	118	61.1 Å²	61.1	55%	0.551	35%	0.35	S	S	*	.			trans	-61.9	146	174.2	-176.9	178.7	3.4	0	0	110.2	S178 W186	Q176-S178 PolarHBondContact O-N 3.33Å; Q176-S178 VanDerWaalsContact O-N 3.16Å; Q176-W186 HydrophobicContact CB-CH2 4.13Å; Q176-W186 WeakPolarHBondContact O-CH2 3.36Å
177	Q	86.3	Confident	94.1	Very high	195 Å²	195	59.4 Å²	59.4	91%	0.911	34%	0.336	S	S	*	.			trans	-57.3	123	176.8	-167.6	175.5	32.4	0	0	110
178	S	88.6	Confident	94.2	Very high	22 Å²	22	60.4 Å²	60.4	15%	0.154	33%	0.334	C	S	.	.			trans	-124.3	141.6	-168.6	40.8	0	0	0	0	111.8	Q176 W186 T187 Y188	Q176-S178 PolarHBondContact O-N 3.33Å; Q176-S178 VanDerWaalsContact O-N 3.16Å; S178-W186 VanDerWaalsContact CB-CZ3 3.47Å; S178-W186 WeakPolarHBondContact OG-CZ3 3.41Å; S178-T187 WeakPolarHBondContact OG-CA 3.33Å; S178-T187 PolarHBondContact OG-OG1 2.57Å; S178-Y188 PolarHBondContact OG-N 3.41Å; S178-Y188 VanDerWaalsContact OG-N 3.13Å
179	S	89.4	Confident	94.2	Very high	78 Å²	78	56.3 Å²	56.3	55%	0.545	31%	0.308	S	S	.	.			trans	-69.3	149.5	178	-174.5	0	0	0	0	112	A181 A184 T187	S179-A181 WeakPolarHBondContact OG-CB 3.4Å; S179-A181 PolarHBondContact OG-N 3.33Å; S179-A184 VanDerWaalsContact O-CB 3.26Å; S179-A184 WeakPolarHBondContact O-CB 3.44Å; S179-T187 PolarHBondContact O-OG1 3.13Å
180	T	91.1	Very high	94.1	Very high	73 Å²	73	59.8 Å²	59.8	45%	0.448	33%	0.33	S	S	.	.			trans	-99	12.9	171.4	59.2	0	0	0	0	112.8	G343	T180-G343 WeakPolarHBondContact O-CA 3.25Å
181	A	92.5	Very high	93.9	Very high	40 Å²	40	62 Å²	62	33%	0.331	34%	0.339	S	S	.	.	S	Bend	trans	-61.5	158.5	176.7	0	0	0	0	0	113	S179 S183 A184	S179-A181 WeakPolarHBondContact OG-CB 3.4Å; S179-A181 PolarHBondContact OG-N 3.33Å; A181-S183 PolarHBondContact O-N 3.16Å; A181-S183 VanDerWaalsContact O-N 3.17Å; A181-A184 VanDerWaalsContact O-CB 3.27Å; A181-A184 WeakPolarHBondContact O-CB 3.36Å; A181-A184 PolarHBondContact O-N 3.49Å
182	K	88.1	Confident	93.7	Very high	193 Å²	193	63.4 Å²	63.4	84%	0.839	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.9	178.1	-175	-178.9	174.7	-172	0	113.2
183	S	91.9	Very high	93.6	Very high	104 Å²	104	66.2 Å²	66.2	73%	0.727	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.7	177.5	48.3	0	0	0	0	114.5	A181 T185	A181-S183 PolarHBondContact O-N 3.16Å; A181-S183 VanDerWaalsContact O-N 3.17Å; S183-T185 PolarHBondContact O-N 3.41Å
184	A	94.6	Very high	93.6	Very high	13 Å²	13	66.2 Å²	66.2	11%	0.107	36%	0.355	C	S	.	.			trans	-67.5	115.5	-179.9	0	0	0	0	0	110.8	S179 A181 W186 P342	S179-A184 VanDerWaalsContact O-CB 3.26Å; S179-A184 WeakPolarHBondContact O-CB 3.44Å; A181-A184 VanDerWaalsContact O-CB 3.27Å; A181-A184 WeakPolarHBondContact O-CB 3.36Å; A181-A184 PolarHBondContact O-N 3.49Å; A184-W186 VanDerWaalsContact C-N 3.28Å; A184-P342 WeakPolarHBondContact O-CD 3.47Å
185	T	96.6	Very high	93.7	Very high	53 Å²	53	65 Å²	65	33%	0.325	35%	0.347	S	S	.	.	S	Bend	trans	-72.8	-23.5	176.2	54.3	0	0	0	0	112.2	S183 C197 Q198 K201	S183-T185 PolarHBondContact O-N 3.41Å; T185-C197 CarbonylContact O-C 3.57Å; T185-C197 WeakPolarHBondContact O-CA 3.4Å; T185-Q198 PolarHBondContact O-N 3.1Å; T185-K201 HydrophobicContact CG2-CG 4.29Å
186	W	97.9	Very high	93.9	Very high	39 Å²	39	63.9 Å²	63.9	15%	0.148	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.5	171.5	66.3	-89.1	0	0	0	111	Q176 S178 A184 L195 Y196 C197 P204	Q176-W186 HydrophobicContact CB-CH2 4.13Å; Q176-W186 WeakPolarHBondContact O-CH2 3.36Å; S178-W186 VanDerWaalsContact CB-CZ3 3.47Å; S178-W186 WeakPolarHBondContact OG-CZ3 3.41Å; A184-W186 VanDerWaalsContact C-N 3.28Å; W186-L195 HydrophobicContact CE3-CD1 4.39Å; W186-Y196 CarbonylContact C-O 3.54Å; W186-Y196 WeakPolarHBondContact CA-O 3.32Å; W186-C197 HydrophobicContact CB-CB 4.03Å; W186-P204 HydrophobicContact CH2-CG 4.23Å; W186-P204 HydrophobicContact CZ2-CG 3.57Å
187	T	97.9	Very high	94.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	147	168.7	-175.3	0	0	0	0	110.5	S178 S179 Y196 P342 R346	S178-T187 WeakPolarHBondContact OG-CA 3.33Å; S178-T187 PolarHBondContact OG-OG1 2.57Å; S179-T187 PolarHBondContact O-OG1 3.13Å; T187-Y196 PolarHBondContact N-O 3.06Å; T187-Y196 PolarHBondContact O-N 3.4Å; T187-P342 HydrophobicContact CG2-CB 3.97Å; T187-R346 HydrophobicContact CG2-CB 3.97Å; T187-R346 HydrophobicContact CG2-CG 4.37Å; T187-R346 PolarHBondContact OG1-NH1 2.69Å
188	Y	98	Very high	94.8	Very high	40 Å²	40	51.1 Å²	51.1	16%	0.157	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.2	177.8	-177.3	-104.7	0	0	0	111.3	F175 S178 T190 K193 K194 L195 F334 R346	F175-Y188 HydrophobicContact CB-CD1 3.91Å; F175-Y188 HydrophobicContact CB-CD2 4.49Å; F175-Y188 HydrophobicContact CB-CG 3.79Å; F175-Y188 AromaticContact CD1-CD2 3.99Å; F175-Y188 HydrophobicContact CD1-CD2 3.99Å; F175-Y188 HydrophobicContact CD1-CG 4.08Å; F175-Y188 AromaticContact CD2-CD1 3.56Å; F175-Y188 HydrophobicContact CD2-CD1 3.56Å; F175-Y188 AromaticContact CD2-CD2 3.48Å; F175-Y188 HydrophobicContact CD2-CD2 3.48Å; F175-Y188 VanDerWaalsContact CD2-CD2 3.48Å; F175-Y188 AromaticContact CD2-CE1 3.59Å; F175-Y188 HydrophobicContact CD2-CE1 3.59Å; F175-Y188 AromaticContact CD2-CE2 3.53Å; F175-Y188 HydrophobicContact CD2-CE2 3.53Å; F175-Y188 AromaticContact CD2-CG 3.49Å; F175-Y188 HydrophobicContact CD2-CG 3.49Å; F175-Y188 VanDerWaalsContact CD2-CG 3.49Å; F175-Y188 AromaticContact CD2-CZ 3.56Å; F175-Y188 HydrophobicContact CE1-CD2 4.02Å; F175-Y188 HydrophobicContact CE1-CE2 4.44Å; F175-Y188 HydrophobicContact CE2-CD1 4.32Å; F175-Y188 AromaticContact CE2-CD2 3.54Å; F175-Y188 HydrophobicContact CE2-CD2 3.54Å; F175-Y188 HydrophobicContact CE2-CE1 4.07Å; F175-Y188 AromaticContact CE2-CE2 3.26Å; F175-Y188 HydrophobicContact CE2-CE2 3.26Å; F175-Y188 HydrophobicContact CE2-CG 4.07Å; F175-Y188 AromaticContact CE2-CZ 3.53Å; F175-Y188 AromaticContact CG-CD1 3.88Å; F175-Y188 HydrophobicContact CG-CD1 3.88Å; F175-Y188 AromaticContact CG-CD2 3.72Å; F175-Y188 HydrophobicContact CG-CD2 3.72Å; F175-Y188 HydrophobicContact CG-CE1 4.37Å; F175-Y188 HydrophobicContact CG-CE2 4.26Å; F175-Y188 AromaticContact CG-CG 3.5Å; F175-Y188 HydrophobicContact CG-CG 3.5Å; F175-Y188 AromaticContact CZ-CD2 3.81Å; F175-Y188 HydrophobicContact CZ-CD2 3.81Å; F175-Y188 AromaticContact CZ-CE2 3.76Å; F175-Y188 HydrophobicContact CZ-CE2 3.76Å; S178-Y188 PolarHBondContact OG-N 3.41Å; S178-Y188 VanDerWaalsContact OG-N 3.13Å; Y188-T190 HydrophobicContact CD1-CG2 4.46Å; Y188-T190 HydrophobicContact CE1-CG2 4.36Å; Y188-K193 WeakPolarHBondContact OH-CA 3.14Å; Y188-K194 VanDerWaalsContact CD2-C 3.49Å; Y188-K194 WeakPolarHBondContact CD2-O 3.46Å; Y188-L195 HydrophobicContact CD2-CB 4.18Å; Y188-F334 HydrophobicContact CE2-CB 4.38Å; Y188-R346 PolarHBondContact O-NH1 2.8Å
189	S	96.8	Very high	95.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.6	171	-176.1	0	0	0	0	109.9	L192 K193 K194 E350	S189-L192 WeakPolarHBondContact OG-CG 3.34Å; S189-L192 PolarHBondContact OG-N 3.1Å; S189-K193 WeakPolarHBondContact O-CA 3.38Å; S189-K193 PolarHBondContact O-N 3.07Å; S189-K193 VanDerWaalsContact O-N 3.1Å; S189-K194 PolarHBondContact N-O 3.16Å; S189-K194 PolarHBondContact O-N 3.46Å; S189-E350 VanDerWaalsContact CB-OE1 3.32Å; S189-E350 WeakPolarHBondContact CB-OE1 3.34Å; S189-E350 PolarHBondContact OG-OE1 3.08Å
190	T	93.7	Very high	95.4	Very high	95 Å²	95	49 Å²	49	58%	0.583	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-48.4	172.1	39	0	0	0	0	111.3	Y188 L192 K193	Y188-T190 HydrophobicContact CD1-CG2 4.46Å; Y188-T190 HydrophobicContact CE1-CG2 4.36Å; T190-L192 PolarHBondContact O-N 3.25Å; T190-K193 PolarHBondContact O-N 3.26Å; T190-K193 VanDerWaalsContact O-N 3.11Å
191	D	92.2	Very high	95.6	Very high	112 Å²	112	50.6 Å²	50.6	60%	0.599	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.3	-173.6	-48.5	4	0	0	0	111.3
192	L	94.3	Very high	95.7	Very high	31 Å²	31	51 Å²	51	16%	0.162	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-4.5	-178.3	-54.7	-174.5	0	0	0	113.7	S189 T190 K194 Y196 D349 E350 I353	S189-L192 WeakPolarHBondContact OG-CG 3.34Å; S189-L192 PolarHBondContact OG-N 3.1Å; T190-L192 PolarHBondContact O-N 3.25Å; L192-K194 HydrophobicContact CB-CB 3.73Å; L192-K194 PolarHBondContact O-N 2.84Å; L192-Y196 WeakPolarHBondContact CD1-OH 3.29Å; L192-D349 HydrophobicContact CD1-CB 3.79Å; L192-E350 HydrophobicContact CD1-CG 3.82Å; L192-E350 HydrophobicContact CG-CG 4.13Å; L192-I353 HydrophobicContact CD2-CD1 3.28Å; L192-I353 HydrophobicContact CD2-CG1 4.45Å
193	K	95.4	Very high	96.1	Very high	118 Å²	118	41.8 Å²	41.8	51%	0.513	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	49.1	-165.6	-61.2	-173.2	176.9	-173.1	0	112.4	D164 Y188 S189 T190 E335	D164-K193 IonicContact OD2-NZ 3.31Å; Y188-K193 WeakPolarHBondContact OH-CA 3.14Å; S189-K193 WeakPolarHBondContact O-CA 3.38Å; S189-K193 PolarHBondContact O-N 3.07Å; S189-K193 VanDerWaalsContact O-N 3.1Å; T190-K193 PolarHBondContact O-N 3.26Å; T190-K193 VanDerWaalsContact O-N 3.11Å; K193-E335 PolarHBondContact O-N 3.1Å
194	K	97.8	Very high	96.4	Very high	17 Å²	17	38 Å²	38	7%	0.074	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.9	-163.8	-173.5	166.2	171.5	174.9	0	113.9	Y188 S189 L192 Y196 E335 D349	Y188-K194 VanDerWaalsContact CD2-C 3.49Å; Y188-K194 WeakPolarHBondContact CD2-O 3.46Å; S189-K194 PolarHBondContact N-O 3.16Å; S189-K194 PolarHBondContact O-N 3.46Å; L192-K194 HydrophobicContact CB-CB 3.73Å; L192-K194 PolarHBondContact O-N 2.84Å; K194-Y196 HydrophobicContact CB-CE2 3.95Å; K194-Y196 HydrophobicContact CD-CE1 4.4Å; K194-Y196 HydrophobicContact CD-CE2 3.95Å; K194-Y196 VanDerWaalsContact CD-OH 3.25Å; K194-Y196 WeakPolarHBondContact CD-OH 3.49Å; K194-Y196 WeakPolarHBondContact CE-OH 3.4Å; K194-Y196 HydrophobicContact CG-CD2 4.24Å; K194-Y196 HydrophobicContact CG-CE2 3.6Å; K194-Y196 WeakPolarHBondContact O-CD2 3.46Å; K194-E335 CarbonylContact C-O 3.56Å; K194-E335 VanDerWaalsContact CA-O 3.28Å; K194-E335 WeakPolarHBondContact CA-O 3.46Å; K194-E335 HydrophobicContact CB-CB 4.14Å; K194-E335 HydrophobicContact CD-CB 4.13Å; K194-E335 HydrophobicContact CD-CG 3.87Å; K194-E335 WeakPolarHBondContact CD-OE1 3.32Å; K194-E335 WeakPolarHBondContact CE-OE1 3.48Å; K194-E335 HydrophobicContact CG-CB 3.88Å; K194-E335 HydrophobicContact CG-CG 4.01Å; K194-E335 IonicContact NZ-OE1 3.1Å; K194-E335 PolarHBondContact NZ-OE1 3.31Å; K194-D349 IonicContact NZ-OD2 3.55Å; K194-D349 PolarHBondContact NZ-OD2 3.13Å
195	L	98.5	Very high	96.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.2	171.5	-179.1	64.2	0	0	0	110.6	F175 W186 Y188 I205 F300 F334 E335 A336 R337	F175-L195 HydrophobicContact CD1-CD1 4.25Å; F175-L195 HydrophobicContact CE1-CB 4.47Å; F175-L195 HydrophobicContact CE1-CD1 4.09Å; F175-L195 HydrophobicContact CE1-CD2 4.28Å; W186-L195 HydrophobicContact CE3-CD1 4.39Å; Y188-L195 HydrophobicContact CD2-CB 4.18Å; L195-I205 HydrophobicContact CD2-CD1 4.42Å; L195-F300 HydrophobicContact CD2-CE2 3.75Å; L195-F300 HydrophobicContact CD2-CZ 4.03Å; L195-F334 HydrophobicContact CB-CD2 3.98Å; L195-F334 HydrophobicContact CB-CE2 3.94Å; L195-F334 HydrophobicContact CD2-CE2 3.88Å; L195-E335 PolarHBondContact N-O 2.83Å; L195-A336 CarbonylContact O-C 3.44Å; L195-A336 WeakPolarHBondContact O-CA 3.4Å; L195-R337 PolarHBondContact O-N 3.45Å
196	Y	98.6	Very high	96.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	128.4	168.8	-60.6	-104	0	0	0	107.7	W186 T187 L192 K194 R337 D345 R346 D349	W186-Y196 CarbonylContact C-O 3.54Å; W186-Y196 WeakPolarHBondContact CA-O 3.32Å; T187-Y196 PolarHBondContact N-O 3.06Å; T187-Y196 PolarHBondContact O-N 3.4Å; L192-Y196 WeakPolarHBondContact CD1-OH 3.29Å; K194-Y196 HydrophobicContact CB-CE2 3.95Å; K194-Y196 HydrophobicContact CD-CE1 4.4Å; K194-Y196 HydrophobicContact CD-CE2 3.95Å; K194-Y196 VanDerWaalsContact CD-OH 3.25Å; K194-Y196 WeakPolarHBondContact CD-OH 3.49Å; K194-Y196 WeakPolarHBondContact CE-OH 3.4Å; K194-Y196 HydrophobicContact CG-CD2 4.24Å; K194-Y196 HydrophobicContact CG-CE2 3.6Å; K194-Y196 WeakPolarHBondContact O-CD2 3.46Å; Y196-R337 WeakPolarHBondContact CA-O 3.45Å; Y196-R337 HydrophobicContact CD1-CB 4.08Å; Y196-R337 HydrophobicContact CD1-CG 4.23Å; Y196-R337 HydrophobicContact CE1-CB 4.33Å; Y196-R337 HydrophobicContact CE1-CG 4.46Å; Y196-D345 HydrophobicContact CD1-CB 3.92Å; Y196-D345 HydrophobicContact CE1-CB 4.12Å; Y196-R346 HydrophobicContact CD1-CB 4.21Å; Y196-R346 HydrophobicContact CD2-CB 3.72Å; Y196-R346 HydrophobicContact CD2-CG 4.1Å; Y196-R346 HydrophobicContact CE1-CB 4.26Å; Y196-R346 HydrophobicContact CE2-CB 3.81Å; Y196-R346 HydrophobicContact CE2-CG 3.96Å; Y196-R346 HydrophobicContact CG-CB 3.95Å; Y196-D349 WeakPolarHBondContact CE1-OD2 3.45Å; Y196-D349 WeakPolarHBondContact OH-CB 3.29Å; Y196-D349 PolarHBondContact OH-OD2 2.85Å
197	C	98.3	Very high	96.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.9	-176.7	56.1	0	0	0	0	112.3	T185 W186 C203 R337 I338 C339	T185-C197 CarbonylContact O-C 3.57Å; T185-C197 WeakPolarHBondContact O-CA 3.4Å; W186-C197 HydrophobicContact CB-CB 4.03Å; C197-C203 WeakPolarHBondContact CB-SG 3.45Å; C197-R337 PolarHBondContact N-O 2.97Å; C197-R337 VanDerWaalsContact N-O 3.15Å; C197-I338 CarbonylContact O-C 3.59Å; C197-I338 VanDerWaalsContact O-CA 3.23Å; C197-I338 WeakPolarHBondContact O-CA 3.42Å; C197-C339 PolarHBondContact O-N 2.86Å; C197-C339 VanDerWaalsContact O-O 3.07Å
198	Q	98	Very high	96.5	Very high	45 Å²	45	37.2 Å²	37.2	21%	0.21	19%	0.189	C	C	.	.			trans	-81.6	150	170.7	-72.5	-179.9	-20.9	0	0	111	T185 A200 K201 C339 A340 P342	T185-Q198 PolarHBondContact O-N 3.1Å; Q198-A200 PolarHBondContact O-N 3.21Å; Q198-K201 HydrophobicContact CB-CB 4.11Å; Q198-K201 HydrophobicContact CB-CG 3.66Å; Q198-K201 PolarHBondContact O-N 3.35Å; Q198-C339 WeakPolarHBondContact CA-O 3.44Å; Q198-A340 PolarHBondContact NE2-O 2.86Å; Q198-P342 HydrophobicContact CG-CG 3.92Å
199	I	96.3	Very high	96.5	Very high	34 Å²	34	36.5 Å²	36.5	17%	0.174	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	136.8	174	-173.3	173.2	0	0	0	111.1	K201 H241 F300 I338	I199-K201 PolarHBondContact O-N 2.98Å; I199-H241 WeakPolarHBondContact CD1-NE2 3.36Å; I199-F300 WeakPolarHBondContact CA-O 3.47Å; I199-I338 HydrophobicContact CB-CG2 4.01Å
200	A	94.6	Very high	96.4	Very high	23 Å²	23	42.8 Å²	42.8	19%	0.19	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	5.1	179.2	0	0	0	0	0	116.3	Q198 F247 N299 F300 M301	Q198-A200 PolarHBondContact O-N 3.21Å; A200-F247 HydrophobicContact CB-CD1 3.62Å; A200-F247 HydrophobicContact CB-CE1 3.68Å; A200-N299 PolarHBondContact O-ND2 3.15Å; A200-F300 PolarHBondContact N-O 3.17Å; A200-M301 HydrophobicContact CB-CE 3.74Å; A200-M301 HydrophobicContact CB-SD 4.12Å
201	K	95.5	Very high	96.4	Very high	106 Å²	106	41.2 Å²	41.2	46%	0.461	21%	0.212	S	C	.	.			trans	-85.8	140.5	175.7	-64.1	-53.6	-174.8	-174.9	0	111.6	T185 Q198 I199 C203	T185-K201 HydrophobicContact CG2-CG 4.29Å; Q198-K201 HydrophobicContact CB-CB 4.11Å; Q198-K201 HydrophobicContact CB-CG 3.66Å; Q198-K201 PolarHBondContact O-N 3.35Å; I199-K201 PolarHBondContact O-N 2.98Å; K201-C203 PolarHBondContact O-N 3.46Å; K201-C203 PolarHBondContact O-SG 3.5Å; K201-C203 VanDerWaalsContact O-SG 3.34Å
202	T	95.7	Very high	96.5	Very high	47 Å²	47	41 Å²	41	29%	0.288	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	126	178.5	-34.2	0	0	0	0	110.9	E262 L297 N299	T202-E262 WeakPolarHBondContact CB-OE2 3.35Å; T202-E262 WeakPolarHBondContact CG2-OE2 3.27Å; T202-E262 PolarHBondContact OG1-OE2 2.85Å; T202-L297 HydrophobicContact CG2-CB 3.77Å; T202-L297 HydrophobicContact CG2-CD1 4.19Å; T202-L297 HydrophobicContact CG2-CD2 4.08Å; T202-L297 HydrophobicContact CG2-CG 4.23Å; T202-N299 PolarHBondContact N-ND2 2.71Å
203	C	96.8	Very high	96.6	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	104.2	177.9	-61.1	0	0	0	0	108.1	C197 K201 I205 Y298 F300	C197-C203 WeakPolarHBondContact CB-SG 3.45Å; K201-C203 PolarHBondContact O-N 3.46Å; K201-C203 PolarHBondContact O-SG 3.5Å; K201-C203 VanDerWaalsContact O-SG 3.34Å; C203-I205 PolarHBondContact O-N 2.93Å; C203-Y298 WeakPolarHBondContact CB-O 3.2Å; C203-Y298 PolarHBondContact N-O 2.81Å; C203-Y298 PolarHBondContact O-N 2.96Å; C203-F300 HydrophobicContact CB-CE2 4.3Å
204	P	96.8	Very high	96.6	Very high	25 Å²	25	37.9 Å²	37.9	16%	0.162	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	122.6	176	29.3	-32.5	0	0	0	110	W186 T295 L297	W186-P204 HydrophobicContact CH2-CG 4.23Å; W186-P204 HydrophobicContact CZ2-CG 3.57Å; P204-T295 HydrophobicContact CB-CG2 3.64Å; P204-L297 HydrophobicContact CB-CD2 3.89Å
205	I	97.9	Very high	96.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.4	175.9	-57.3	-169	0	0	0	108	V173 F175 L195 C203 T295 I296 Y298 F334	V173-I205 HydrophobicContact CG1-CG2 3.4Å; F175-I205 HydrophobicContact CD1-CG1 4.3Å; F175-I205 HydrophobicContact CE1-CD1 3.81Å; F175-I205 HydrophobicContact CE1-CG1 3.78Å; F175-I205 HydrophobicContact CE1-CG2 4.24Å; F175-I205 HydrophobicContact CZ-CD1 4.34Å; F175-I205 HydrophobicContact CZ-CG2 4.39Å; L195-I205 HydrophobicContact CD2-CD1 4.42Å; C203-I205 PolarHBondContact O-N 2.93Å; I205-T295 WeakPolarHBondContact O-CA 3.42Å; I205-I296 PolarHBondContact N-O 3.11Å; I205-I296 PolarHBondContact O-N 3.37Å; I205-Y298 HydrophobicContact CB-CD2 3.94Å; I205-Y298 HydrophobicContact CB-CE2 4.15Å; I205-Y298 HydrophobicContact CD1-CD2 3.64Å; I205-Y298 HydrophobicContact CD1-CE2 4.22Å; I205-Y298 HydrophobicContact CD1-CG 4.44Å; I205-Y298 HydrophobicContact CG1-CD2 3.85Å; I205-Y298 HydrophobicContact CG1-CE2 4.48Å; I205-F334 HydrophobicContact CD1-CE1 4.24Å; I205-F334 HydrophobicContact CD1-CE2 4.44Å; I205-F334 HydrophobicContact CD1-CZ 3.62Å
206	Q	97.6	Very high	96.2	Very high	23 Å²	23	48.9 Å²	48.9	11%	0.107	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.4	-176.8	-61.7	171.5	-28.5	0	0	109.6	V173 S174 F293	V173-Q206 WeakPolarHBondContact CA-O 3.47Å; S174-Q206 PolarHBondContact N-O 3.41Å; S174-Q206 WeakPolarHBondContact O-CB 3.26Å; S174-Q206 PolarHBondContact O-N 3Å; S174-Q206 WeakPolarHBondContact OG-CB 3.32Å; S174-Q206 PolarHBondContact OG-OE1 2.8Å; Q206-F293 HydrophobicContact CB-CB 4.14Å; Q206-F293 HydrophobicContact CB-CD2 3.93Å; Q206-F293 HydrophobicContact CB-CG 4.08Å; Q206-F293 HydrophobicContact CG-CD2 3.62Å; Q206-F293 HydrophobicContact CG-CE2 3.87Å; Q206-F293 HydrophobicContact CG-CG 4.14Å; Q206-F293 VanDerWaalsContact NE2-CE2 3.29Å; Q206-F293 VanDerWaalsContact NE2-CZ 3.26Å
207	I	97.9	Very high	96.2	Very high	4 Å²	4	49 Å²	49	2%	0.021	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	124.9	175.1	-54.4	-55.2	0	0	0	108.3	F171 V173 I219 F293 T294 I296 V319	F171-I207 HydrophobicContact CD2-CG2 4.38Å; F171-I207 HydrophobicContact CE2-CG2 3.67Å; V173-I207 HydrophobicContact CG2-CD1 4.14Å; I207-I219 HydrophobicContact CD1-CG2 4.14Å; I207-I219 HydrophobicContact CG1-CG2 4.48Å; I207-I219 HydrophobicContact CG2-CD1 3.91Å; I207-I219 HydrophobicContact CG2-CG1 4.32Å; I207-F293 VanDerWaalsContact O-CA 3.29Å; I207-F293 WeakPolarHBondContact O-CA 3.33Å; I207-F293 WeakPolarHBondContact O-CB 3.35Å; I207-T294 PolarHBondContact N-O 3.17Å; I207-T294 PolarHBondContact O-N 2.92Å; I207-I296 HydrophobicContact CD1-CD1 4.31Å; I207-I296 HydrophobicContact CG1-CD1 3.76Å; I207-I296 HydrophobicContact CG1-CG1 4.04Å; I207-V319 HydrophobicContact CD1-CG1 4.32Å
208	K	97	Very high	96.2	Very high	58 Å²	58	50.2 Å²	50.2	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.9	179.8	-74.8	-173.9	170.8	-153.9	0	110.8	F171 D172 S174 E292 F293	F171-K208 WeakPolarHBondContact CA-O 3.5Å; D172-K208 HydrophobicContact CB-CB 4.25Å; D172-K208 PolarHBondContact N-O 2.87Å; D172-K208 PolarHBondContact O-N 3.05Å; S174-K208 WeakPolarHBondContact OG-CE 3.45Å; K208-E292 IonicContact NZ-OE2 3.11Å; K208-E292 PolarHBondContact NZ-OE2 3.17Å; K208-F293 HydrophobicContact CG-CB 3.77Å
209	V	96.8	Very high	96.2	Very high	25 Å²	25	48.2 Å²	48.2	15%	0.152	27%	0.273	C	S	.	.			trans	-141	143	169.7	-66.9	0	0	0	0	108.2	H169 F171 Y284 L321	H169-V209 HydrophobicContact CB-CB 4.32Å; H169-V209 HydrophobicContact CB-CG1 4.26Å; H169-V209 WeakPolarHBondContact O-CA 3.5Å; F171-V209 HydrophobicContact CD2-CG1 4.03Å; V209-Y284 HydrophobicContact CG2-CE2 4.04Å; V209-Y284 WeakPolarHBondContact CG2-OH 3.44Å; V209-L321 HydrophobicContact CG1-CD2 4.01Å
210	L	94.9	Very high	96.2	Very high	133 Å²	133	49 Å²	49	70%	0.696	27%	0.273	S	S	*	.	S	Bend	trans	-84.1	-35.2	177.5	178	64.4	0	0	0	111.9	H169 T170	H169-L210 PolarHBondContact O-N 2.98Å; T170-L210 HydrophobicContact CG2-CB 4.46Å; T170-L210 HydrophobicContact CG2-CD2 4.23Å; T170-L210 WeakPolarHBondContact OG1-CB 3.46Å
211	T	94.4	Very high	96.4	Very high	61 Å²	61	47.9 Å²	47.9	37%	0.374	27%	0.265	S	S	.	.	S	Bend	trans	-121.7	138.3	177.6	58.8	0	0	0	0	109.6	H169	H169-T211 PolarHBondContact ND1-O 2.85Å; H169-T211 PolarHBondContact ND1-OG1 3.08Å
212	P	93.6	Very high	96.5	Very high	107 Å²	107	44.2 Å²	44.2	70%	0.695	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-57.2	131.9	178.4	-26.6	35.2	0	0	0	112	H169	H169-P212 PolarHBondContact CE1-O 3.04Å; H169-P212 PolarHBondContact ND1-O 3.36Å
213	P	95.8	Very high	96.6	Very high	16 Å²	16	42.3 Å²	42.3	10%	0.104	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-72	165.2	174.2	31.1	-35.8	0	0	0	112	A217 Y284 L321 L329	P213-A217 HydrophobicContact CB-CB 3.83Å; P213-A217 HydrophobicContact CG-CB 3.97Å; P213-Y284 VanDerWaalsContact CD-CE1 3.45Å; P213-Y284 HydrophobicContact CG-CD1 3.44Å; P213-Y284 VanDerWaalsContact CG-CD1 3.44Å; P213-Y284 HydrophobicContact CG-CD2 4.29Å; P213-Y284 HydrophobicContact CG-CE1 3.5Å; P213-Y284 VanDerWaalsContact CG-CE1 3.5Å; P213-Y284 HydrophobicContact CG-CE2 4.33Å; P213-Y284 HydrophobicContact CG-CG 3.86Å; P213-L321 HydrophobicContact CB-CD1 4.22Å; P213-L321 HydrophobicContact CB-CD2 4.19Å; P213-L321 HydrophobicContact CG-CD1 4.15Å; P213-L329 HydrophobicContact CB-CD1 4.29Å
214	P	95.3	Very high	96.7	Very high	68 Å²	68	42.4 Å²	42.4	44%	0.442	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-53	149.7	174	-26.2	35.1	0	0	0	113.2	G216 A217 L329	P214-G216 PolarHBondContact O-N 3.36Å; P214-A217 VanDerWaalsContact O-CB 3.29Å; P214-A217 WeakPolarHBondContact O-CB 3.46Å; P214-A217 PolarHBondContact O-N 3.34Å; P214-A217 VanDerWaalsContact O-N 3.11Å; P214-L329 HydrophobicContact CG-CD1 4.38Å
215	Q	94.6	Very high	96.7	Very high	206 Å²	206	41.4 Å²	41.4	96%	0.963	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	134.4	-179.9	-171.6	179.2	8.7	0	0	111.4	A217	Q215-A217 VanDerWaalsContact C-N 3.34Å
216	G	94.6	Very high	96.6	Very high	43 Å²	43	46.3 Å²	46.3	44%	0.443	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	12.9	-176.9	0	0	0	0	0	114.4	P214	P214-G216 PolarHBondContact O-N 3.36Å
217	A	97.3	Very high	96.4	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.025	27%	0.268	C	S	.	.			trans	-58.4	153.7	165.3	0	0	0	0	0	111.9	P213 P214 Q215 Y284 L321 E322	P213-A217 HydrophobicContact CB-CB 3.83Å; P213-A217 HydrophobicContact CG-CB 3.97Å; P214-A217 VanDerWaalsContact O-CB 3.29Å; P214-A217 WeakPolarHBondContact O-CB 3.46Å; P214-A217 PolarHBondContact O-N 3.34Å; P214-A217 VanDerWaalsContact O-N 3.11Å; Q215-A217 VanDerWaalsContact C-N 3.34Å; A217-Y284 WeakPolarHBondContact O-CB 3.41Å; A217-Y284 PolarHBondContact O-N 3.05Å; A217-L321 HydrophobicContact CB-CD1 4.11Å; A217-E322 CarbonylContact C-O 3.52Å; A217-E322 WeakPolarHBondContact CA-O 3.42Å; A217-E322 WeakPolarHBondContact CB-O 3.46Å
218	V	97.9	Very high	96.1	Very high	25 Å²	25	54 Å²	54	15%	0.152	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.2	-176.9	-61	0	0	0	0	111.1	L281 V282 L321 E322	V218-L281 HydrophobicContact CG2-CD2 4.25Å; V218-V282 CarbonylContact C-O 3.52Å; V218-V282 WeakPolarHBondContact CA-O 3.4Å; V218-L321 WeakPolarHBondContact O-CA 3.1Å; V218-E322 HydrophobicContact CG2-CB 3.88Å; V218-E322 PolarHBondContact N-O 3.19Å; V218-E322 PolarHBondContact O-N 3.13Å
219	I	98.3	Very high	95.9	Very high	2 Å²	2	57 Å²	57	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.8	169.6	-55.1	-56.7	0	0	0	108.5	F171 I207 L281 V282 Y284 I296 V319 T320 L321	F171-I219 HydrophobicContact CE2-CD1 3.86Å; I207-I219 HydrophobicContact CD1-CG2 4.14Å; I207-I219 HydrophobicContact CG1-CG2 4.48Å; I207-I219 HydrophobicContact CG2-CD1 3.91Å; I207-I219 HydrophobicContact CG2-CG1 4.32Å; I219-L281 CarbonylContact O-C 3.45Å; I219-L281 WeakPolarHBondContact O-CA 3.41Å; I219-V282 PolarHBondContact N-O 3.3Å; I219-V282 PolarHBondContact O-N 3.44Å; I219-Y284 HydrophobicContact CD1-CD2 4.18Å; I219-Y284 HydrophobicContact CG1-CD2 4.39Å; I219-I296 HydrophobicContact CB-CD1 3.87Å; I219-I296 HydrophobicContact CG1-CD1 4.12Å; I219-I296 HydrophobicContact CG2-CD1 3.75Å; I219-V319 HydrophobicContact CG2-CG1 3.71Å; I219-T320 CarbonylContact C-O 3.58Å; I219-T320 WeakPolarHBondContact CA-O 3.43Å; I219-L321 HydrophobicContact CD1-CB 4.12Å; I219-L321 HydrophobicContact CD1-CD1 3.57Å; I219-L321 HydrophobicContact CD1-CG 4.45Å
220	R	97.9	Very high	95.8	Very high	50 Å²	50	57.4 Å²	57.4	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.5	174.8	-176.8	-167.3	-56	-94	-1.9	110.3	S279 V280 L281 V319 T320 E322	R220-S279 PolarHBondContact NH1-OG 3.11Å; R220-S279 VanDerWaalsContact NH1-OG 3.1Å; R220-V280 CarbonylContact C-O 3.59Å; R220-V280 VanDerWaalsContact CA-O 3.32Å; R220-V280 WeakPolarHBondContact CA-O 3.3Å; R220-L281 HydrophobicContact CB-CG 4.26Å; R220-L281 HydrophobicContact CG-CD1 4.21Å; R220-L281 HydrophobicContact CG-CG 4.27Å; R220-V319 CarbonylContact O-C 3.54Å; R220-V319 VanDerWaalsContact O-CA 3.27Å; R220-V319 WeakPolarHBondContact O-CA 2.93Å; R220-T320 PolarHBondContact N-O 3.06Å; R220-T320 PolarHBondContact O-N 2.91Å; R220-E322 WeakPolarHBondContact CD-OE1 3.03Å; R220-E322 IonicContact CZ-OE1 3.97Å; R220-E322 IonicContact CZ-OE2 2.7Å; R220-E322 VanDerWaalsContact NE-CD 3.29Å; R220-E322 IonicContact NE-OE1 2.78Å; R220-E322 PolarHBondContact NE-OE1 2.91Å; R220-E322 IonicContact NE-OE2 2.69Å; R220-E322 PolarHBondContact NE-OE2 3.31Å; R220-E322 IonicContact NH2-OE2 2.7Å; R220-E322 PolarHBondContact NH2-OE2 3Å
221	A	98.3	Very high	95.6	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.6	167	0	0	0	0	0	110.7	I259 S279 V280 Y298 I317 I318	A221-I259 HydrophobicContact CB-CD1 4.25Å; A221-S279 WeakPolarHBondContact O-CA 3.35Å; A221-S279 WeakPolarHBondContact O-CB 3.32Å; A221-V280 HydrophobicContact CB-CG1 4.12Å; A221-V280 PolarHBondContact N-O 3.42Å; A221-V280 PolarHBondContact O-N 3.23Å; A221-Y298 HydrophobicContact CB-CE1 3.75Å; A221-I317 HydrophobicContact CB-CG2 4.45Å; A221-I318 WeakPolarHBondContact CA-O 3.42Å
222	M	97.9	Very high	95.5	Very high	28 Å²	28	54 Å²	54	14%	0.138	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	125.9	-178.9	178.9	172	52.1	0	0	111.2	P160 V224 R277 I318	P160-M222 HydrophobicContact CB-CE 3.55Å; P160-M222 HydrophobicContact CG-CE 3.71Å; M222-V224 HydrophobicContact CG-CG1 4.49Å; M222-R277 HydrophobicContact SD-CB 4.04Å; M222-I318 HydrophobicContact CE-CD1 4.42Å; M222-I318 PolarHBondContact N-O 2.62Å; M222-I318 PolarHBondContact O-N 3.22Å
223	P	97.9	Very high	95.5	Very high	8 Å²	8	52.6 Å²	52.6	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	138.7	174.9	32.8	-28.8	0	0	0	111.9	V235 L258 I259 Q278 I315 L316 I317	P223-V235 HydrophobicContact CB-CB 4Å; P223-V235 HydrophobicContact CB-CG1 4.05Å; P223-V235 HydrophobicContact CB-CG2 4.31Å; P223-V235 HydrophobicContact CG-CB 4.05Å; P223-V235 HydrophobicContact CG-CG1 4.29Å; P223-L258 HydrophobicContact CB-CD2 4.22Å; P223-L258 HydrophobicContact CG-CD2 4.43Å; P223-I259 HydrophobicContact CB-CD1 4.12Å; P223-I259 HydrophobicContact CB-CG1 4.49Å; P223-I259 HydrophobicContact CG-CD1 4.02Å; P223-I259 HydrophobicContact CG-CG1 4.19Å; P223-Q278 WeakPolarHBondContact CD-O 3.4Å; P223-I315 HydrophobicContact CB-CD1 4.48Å; P223-L316 WeakPolarHBondContact CA-O 3.46Å; P223-I317 HydrophobicContact CB-CD1 4.03Å
224	V	97.3	Very high	95.5	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152	172.5	-58.5	0	0	0	0	110.7	P160 M222 I315 L316 I318	P160-V224 HydrophobicContact CG-CG1 3.7Å; M222-V224 HydrophobicContact CG-CG1 4.49Å; V224-I315 CarbonylContact O-C 3.59Å; V224-I315 WeakPolarHBondContact O-CA 3.33Å; V224-I315 WeakPolarHBondContact O-CB 3.47Å; V224-L316 HydrophobicContact CG2-CB 3.95Å; V224-L316 PolarHBondContact N-O 2.67Å; V224-L316 PolarHBondContact O-N 3.48Å; V224-I318 HydrophobicContact CG1-CD1 3.99Å; V224-I318 HydrophobicContact CG2-CD1 3.88Å; V224-I318 HydrophobicContact CG2-CG1 4.13Å
225	Y	97.7	Very high	95.5	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.6	172.3	-67.5	-68.5	0	0	0	111	K227 H230 E233 V235 G309 M310 R313 I315	Y225-K227 VanDerWaalsContact C-N 3.34Å; Y225-K227 PolarHBondContact O-N 3.49Å; Y225-H230 HydrophobicContact CD2-CB 4Å; Y225-H230 WeakPolarHBondContact CD2-O 3.41Å; Y225-H230 HydrophobicContact CG-CB 3.88Å; Y225-E233 HydrophobicContact CD2-CB 3.91Å; Y225-E233 HydrophobicContact CE2-CB 3.8Å; Y225-V235 HydrophobicContact CD1-CG2 4.14Å; Y225-V235 HydrophobicContact CD2-CG2 3.76Å; Y225-V235 HydrophobicContact CE1-CG2 4.08Å; Y225-V235 HydrophobicContact CE2-CB 4.43Å; Y225-V235 HydrophobicContact CE2-CG2 3.72Å; Y225-V235 HydrophobicContact CG-CG2 3.99Å; Y225-G309 PolarHBondContact OH-O 3Å; Y225-M310 HydrophobicContact CE1-CB 4.44Å; Y225-M310 HydrophobicContact CE1-CG 4.29Å; Y225-R313 HydrophobicContact CD1-CB 3.67Å; Y225-R313 HydrophobicContact CE1-CB 3.77Å; Y225-R313 PolarHBondContact OH-NH2 3.19Å; Y225-R313 VanDerWaalsContact OH-NH2 3.08Å; Y225-I315 HydrophobicContact CD1-CG2 3.72Å; Y225-I315 HydrophobicContact CE1-CG2 3.96Å
226	K	95.8	Very high	95.5	Very high	105 Å²	105	44 Å²	44	46%	0.457	24%	0.241	S	C	.	.	S	Bend	trans	-67.7	-32.3	-177.3	-175.8	177.4	-176	-178.3	0	112.8	P314 L316 E335	K226-P314 HydrophobicContact CB-CB 4.22Å; K226-P314 HydrophobicContact CB-CG 4.19Å; K226-P314 WeakPolarHBondContact CB-O 3.44Å; K226-P314 HydrophobicContact CD-CB 4.5Å; K226-P314 PolarHBondContact N-O 2.78Å; K226-L316 HydrophobicContact CB-CD1 4.5Å; K226-L316 HydrophobicContact CB-CD2 4.48Å; K226-L316 HydrophobicContact CB-CG 3.97Å; K226-L316 HydrophobicContact CD-CD2 4.14Å; K226-L316 HydrophobicContact CG-CD1 4.22Å; K226-L316 HydrophobicContact CG-CD2 4.13Å; K226-L316 HydrophobicContact CG-CG 3.97Å; K226-E335 HydrophobicContact CD-CG 4.5Å; K226-E335 VanDerWaalsContact CD-OE2 3.23Å; K226-E335 WeakPolarHBondContact CD-OE2 3.48Å; K226-E335 WeakPolarHBondContact CE-OE2 3.36Å; K226-E335 IonicContact NZ-OE2 2.87Å; K226-E335 PolarHBondContact NZ-OE2 3.41Å
227	K	93.8	Very high	95.5	Very high	98 Å²	98	42.2 Å²	42.2	43%	0.426	22%	0.22	S	C	.	.	S	Bend	trans	-82.2	133.9	-178.9	-67.9	-166.5	179.7	-168.8	0	111.1	Y225 E229 H230 V231 P314	Y225-K227 VanDerWaalsContact C-N 3.34Å; Y225-K227 PolarHBondContact O-N 3.49Å; K227-E229 HydrophobicContact CB-CG 4.03Å; K227-E229 VanDerWaalsContact CD-CD 3.47Å; K227-E229 HydrophobicContact CD-CG 4.13Å; K227-E229 WeakPolarHBondContact CD-OE1 3.43Å; K227-E229 WeakPolarHBondContact CE-OE1 3.04Å; K227-E229 IonicContact NZ-OE1 3.37Å; K227-E229 PolarHBondContact NZ-OE1 2.91Å; K227-E229 IonicContact NZ-OE2 3.87Å; K227-E229 PolarHBondContact O-N 2.66Å; K227-H230 PolarHBondContact O-N 3.02Å; K227-V231 PolarHBondContact O-N 2.95Å; K227-V231 VanDerWaalsContact O-N 3.16Å; K227-P314 HydrophobicContact CG-CG 4.4Å
228	A	90.9	Very high	95.5	Very high	89 Å²	89	42.2 Å²	42.2	74%	0.736	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-54.7	-36.7	176.9	0	0	0	0	0	113.5	H230 V231	A228-H230 PolarHBondContact O-N 3.01Å; A228-H230 VanDerWaalsContact O-N 3.08Å; A228-V231 WeakPolarHBondContact O-CG1 3.35Å; A228-V231 PolarHBondContact O-N 2.67Å
229	E	94	Very high	95.3	Very high	121 Å²	121	44 Å²	44	57%	0.565	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-59.6	-19	178.1	77.9	-158.8	-170	0	0	114.1	K227	K227-E229 HydrophobicContact CB-CG 4.03Å; K227-E229 VanDerWaalsContact CD-CD 3.47Å; K227-E229 HydrophobicContact CD-CG 4.13Å; K227-E229 WeakPolarHBondContact CD-OE1 3.43Å; K227-E229 WeakPolarHBondContact CE-OE1 3.04Å; K227-E229 IonicContact NZ-OE1 3.37Å; K227-E229 PolarHBondContact NZ-OE1 2.91Å; K227-E229 IonicContact NZ-OE2 3.87Å; K227-E229 PolarHBondContact O-N 2.66Å
230	H	93.4	Very high	95.1	Very high	35 Å²	35	50.3 Å²	50.3	16%	0.162	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-123.2	0.6	-178.9	-56.9	122.3	0	0	0	113.2	Y225 K227 A228 T232 E233 R313	Y225-H230 HydrophobicContact CD2-CB 4Å; Y225-H230 WeakPolarHBondContact CD2-O 3.41Å; Y225-H230 HydrophobicContact CG-CB 3.88Å; K227-H230 PolarHBondContact O-N 3.02Å; A228-H230 PolarHBondContact O-N 3.01Å; A228-H230 VanDerWaalsContact O-N 3.08Å; H230-T232 PolarHBondContact O-N 2.88Å; H230-E233 IonicContact CD2-OE1 2.85Å; H230-E233 PolarHBondContact CD2-OE1 3.38Å; H230-E233 VanDerWaalsContact CD2-OE1 3.31Å; H230-E233 WeakPolarHBondContact O-CB 3.44Å; H230-E233 PolarHBondContact O-N 3.21Å; H230-R313 PolarHBondContact CD2-NH1 3.15Å; H230-R313 WeakPolarHBondContact CE1-CD 3.24Å; H230-R313 WeakPolarHBondContact ND1-CD 3.44Å; H230-R313 WeakPolarHBondContact NE2-CD 3.4Å
231	V	91.4	Very high	94.8	Very high	25 Å²	25	49.6 Å²	49.6	15%	0.152	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.3	-168.5	76.8	0	0	0	0	113	I159 K227 A228 R277	I159-V231 HydrophobicContact CD1-CG1 4.09Å; I159-V231 HydrophobicContact CG1-CG1 4.39Å; I159-V231 HydrophobicContact CG2-CG1 4.15Å; I159-V231 HydrophobicContact CG2-CG2 4.04Å; K227-V231 PolarHBondContact O-N 2.95Å; K227-V231 VanDerWaalsContact O-N 3.16Å; A228-V231 WeakPolarHBondContact O-CG1 3.35Å; A228-V231 PolarHBondContact O-N 2.67Å; V231-R277 PolarHBondContact O-NH1 3.14Å; V231-R277 PolarHBondContact O-NH2 3.3Å
232	T	91.4	Very high	94.6	Very high	98 Å²	98	52.6 Å²	52.6	60%	0.601	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.7	174.7	48.4	0	0	0	0	113.2	I159 H230	I159-T232 HydrophobicContact CD1-CG2 4.11Å; I159-T232 HydrophobicContact CG1-CG2 4.2Å; H230-T232 PolarHBondContact O-N 2.88Å
233	E	94.2	Very high	94.2	Very high	77 Å²	77	58.1 Å²	58.1	36%	0.36	31%	0.308	S	S	.	.	S	Bend	trans	-73.7	149.3	174	-67.2	-178.4	-133.7	0	0	111.6	Y225 H230 R277 R313	Y225-E233 HydrophobicContact CD2-CB 3.91Å; Y225-E233 HydrophobicContact CE2-CB 3.8Å; H230-E233 IonicContact CD2-OE1 2.85Å; H230-E233 PolarHBondContact CD2-OE1 3.38Å; H230-E233 VanDerWaalsContact CD2-OE1 3.31Å; H230-E233 WeakPolarHBondContact O-CB 3.44Å; H230-E233 PolarHBondContact O-N 3.21Å; E233-R277 PolarHBondContact O-NH1 3.03Å; E233-R313 IonicContact OE1-CZ 2.72Å; E233-R313 IonicContact OE1-NH1 3.9Å; E233-R313 PolarHBondContact OE1-NH1 2.97Å; E233-R313 IonicContact OE2-CZ 3.27Å; E233-R313 IonicContact OE2-NH1 2.63Å; E233-R313 PolarHBondContact OE2-NH1 3.5Å; E233-R313 IonicContact OE2-NH2 3.12Å; E233-R313 PolarHBondContact OE2-NH2 3.21Å
234	V	94.7	Very high	93.7	Very high	38 Å²	38	59.4 Å²	59.4	23%	0.23	32%	0.317	C	S	.	.			trans	-81.9	133.6	171.3	-176.5	0	0	0	0	109.6	K236 T275 G276 R277	V234-K236 HydrophobicContact CB-CG 4.27Å; V234-K236 HydrophobicContact CG1-CD 4.29Å; V234-K236 HydrophobicContact CG1-CG 3.68Å; V234-K236 PolarHBondContact O-N 3.17Å; V234-T275 WeakPolarHBondContact CG2-O 3.37Å; V234-G276 VanDerWaalsContact CG1-O 3.27Å; V234-G276 WeakPolarHBondContact CG1-O 3.21Å; V234-G276 WeakPolarHBondContact CG2-O 3.21Å; V234-R277 HydrophobicContact CG2-CG 4.38Å
235	V	96.7	Very high	92.8	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.012	35%	0.354	C	S	.	.			trans	-79.6	102.2	170.4	-176.2	0	0	0	0	108.9	P223 Y225 L258 M310 I315	P223-V235 HydrophobicContact CB-CB 4Å; P223-V235 HydrophobicContact CB-CG1 4.05Å; P223-V235 HydrophobicContact CB-CG2 4.31Å; P223-V235 HydrophobicContact CG-CB 4.05Å; P223-V235 HydrophobicContact CG-CG1 4.29Å; Y225-V235 HydrophobicContact CD1-CG2 4.14Å; Y225-V235 HydrophobicContact CD2-CG2 3.76Å; Y225-V235 HydrophobicContact CE1-CG2 4.08Å; Y225-V235 HydrophobicContact CE2-CB 4.43Å; Y225-V235 HydrophobicContact CE2-CG2 3.72Å; Y225-V235 HydrophobicContact CG-CG2 3.99Å; V235-L258 HydrophobicContact CG1-CD2 3.51Å; V235-M310 HydrophobicContact CG1-CG 3.94Å; V235-M310 HydrophobicContact CG1-SD 4.43Å; V235-I315 HydrophobicContact CG1-CG2 4.08Å; V235-I315 HydrophobicContact CG2-CG2 3.98Å
236	K	93.6	Very high	91.7	Very high	70 Å²	70	76.5 Å²	76.5	30%	0.304	39%	0.388	S	S	.	.			trans	-111.4	162.7	173.5	-58.7	-161.2	173.8	-160.9	0	111.1	V234 E271	V234-K236 HydrophobicContact CB-CG 4.27Å; V234-K236 HydrophobicContact CG1-CD 4.29Å; V234-K236 HydrophobicContact CG1-CG 3.68Å; V234-K236 PolarHBondContact O-N 3.17Å; K236-E271 IonicContact NZ-OE1 2.92Å; K236-E271 PolarHBondContact NZ-OE1 3.35Å; K236-E271 IonicContact NZ-OE2 2.87Å
237	R	95.9	Very high	90.6	Very high	4 Å²	4	73.6 Å²	73.6	2%	0.015	38%	0.376	C	S	.	.			trans	-65.1	162.6	168.5	-61.7	173.2	80.4	-167.2	5.4	109.8	H241 N248 P255 S256 H257 M301 C302	R237-H241 PolarHBondContact NH1-O 3.38Å; R237-H241 PolarHBondContact NH2-O 3.4Å; R237-N248 PolarHBondContact NH1-ND2 2.79Å; R237-N248 PolarHBondContact NH1-OD1 2.79Å; R237-P255 WeakPolarHBondContact CD-O 3.47Å; R237-P255 PolarHBondContact NH1-O 3.04Å; R237-S256 WeakPolarHBondContact CG-O 3.45Å; R237-S256 PolarHBondContact N-O 2.87Å; R237-H257 WeakPolarHBondContact CD-O 3.39Å; R237-M301 PolarHBondContact NE-O 3.32Å; R237-M301 PolarHBondContact NH2-O 2.79Å; R237-C302 HydrophobicContact CB-CB 4.19Å; R237-C302 HydrophobicContact CG-CB 4.07Å
238	C	96.1	Very high	89.8	Confident	4 Å²	4	70.3 Å²	70.3	3%	0.027	36%	0.363	C	S	.	.			trans	-76.9	152.8	168.9	67.3	0	0	0	0	111.3	N240 H241 E242 C302 C306 V307	C238-N240 PolarHBondContact O-N 3.43Å; C238-N240 VanDerWaalsContact O-N 3.12Å; C238-H241 PolarHBondContact O-N 3.13Å; C238-H241 PolarHBondContact SG-ND1 3.04Å; C238-E242 PolarHBondContact O-N 3.12Å; C238-C302 PolarHBondContact N-SG 2.92Å; C238-C302 VanDerWaalsContact SG-SG 3.65Å; C238-C306 HydrophobicContact CB-CB 3.96Å; C238-V307 WeakPolarHBondContact CB-O 3.4Å
239	P	94.3	Very high	88.7	Confident	63 Å²	63	72.4 Å²	72.4	41%	0.409	36%	0.362	S	S	.	.	H	α-helix	trans	-51.2	-39.7	-179.3	-30.7	35.7	0	0	0	114.1	H241 E242 L243 G308	P239-H241 VanDerWaalsContact C-N 3.34Å; P239-H241 PolarHBondContact O-N 2.91Å; P239-E242 PolarHBondContact O-N 3.43Å; P239-L243 WeakPolarHBondContact O-CB 3.25Å; P239-L243 VanDerWaalsContact O-CG 3.3Å; P239-L243 WeakPolarHBondContact O-CG 3.47Å; P239-L243 PolarHBondContact O-N 3.2Å; P239-G308 WeakPolarHBondContact CD-O 3.34Å
240	N	93.1	Very high	87.2	Confident	134 Å²	134	70.2 Å²	70.2	72%	0.717	37%	0.371	S	S	*	.	H	α-helix	trans	-61.4	-39.4	179.4	-62.6	3.1	0	0	0	112.8	C238 S244	C238-N240 PolarHBondContact O-N 3.43Å; C238-N240 VanDerWaalsContact O-N 3.12Å; N240-S244 VanDerWaalsContact O-CB 3.27Å; N240-S244 WeakPolarHBondContact O-CB 3.29Å; N240-S244 PolarHBondContact O-N 2.74Å
241	H	93.5	Very high	86	Confident	34 Å²	34	73.9 Å²	73.9	16%	0.157	39%	0.389	C	S	.	.	H	α-helix	trans	-81.9	-31.8	178	-77.1	128.6	0	0	0	112.3	I199 R237 C238 P239 N248 C302 C306	I199-H241 WeakPolarHBondContact CD1-NE2 3.36Å; R237-H241 PolarHBondContact NH1-O 3.38Å; R237-H241 PolarHBondContact NH2-O 3.4Å; C238-H241 PolarHBondContact O-N 3.13Å; C238-H241 PolarHBondContact SG-ND1 3.04Å; P239-H241 VanDerWaalsContact C-N 3.34Å; P239-H241 PolarHBondContact O-N 2.91Å; H241-N248 PolarHBondContact O-ND2 3.44Å; H241-C302 PolarHBondContact ND1-SG 2.88Å; H241-C302 VanDerWaalsContact ND1-SG 3.41Å; H241-C306 PolarHBondContact CE1-SG 3.02Å; H241-C306 PolarHBondContact ND1-SG 3.16Å
242	E	93.1	Very high	85.3	Confident	65 Å²	65	79.3 Å²	79.3	30%	0.304	42%	0.415	S	S	.	.	H	α-helix	trans	-66.2	-41	175.2	-177	167.2	-162.9	0	0	111.9	C238 P239 N248 P255 S256	C238-E242 PolarHBondContact O-N 3.12Å; P239-E242 PolarHBondContact O-N 3.43Å; E242-N248 PolarHBondContact O-ND2 2.75Å; E242-P255 HydrophobicContact CG-CB 4.21Å; E242-P255 WeakPolarHBondContact O-CB 3.33Å; E242-S256 WeakPolarHBondContact OE1-CA 3.32Å; E242-S256 WeakPolarHBondContact OE1-CB 3.42Å
243	L	90.1	Very high	85.1	Confident	144 Å²	144	75 Å²	75	75%	0.754	39%	0.389	S	S	*	.	H	α-helix	trans	-85.4	-18.5	179.2	-62.9	172.3	0	0	0	114.3	P239	P239-L243 WeakPolarHBondContact O-CB 3.25Å; P239-L243 VanDerWaalsContact O-CG 3.3Å; P239-L243 WeakPolarHBondContact O-CG 3.47Å; P239-L243 PolarHBondContact O-N 3.2Å
244	S	86.3	Confident	85	Confident	35 Å²	35	73.4 Å²	73.4	25%	0.245	39%	0.386	C	S	.	.			trans	-64.9	134.6	179.8	176	0	0	0	0	111.9	N240 E246 N248	N240-S244 VanDerWaalsContact O-CB 3.27Å; N240-S244 WeakPolarHBondContact O-CB 3.29Å; N240-S244 PolarHBondContact O-N 2.74Å; S244-E246 WeakPolarHBondContact OG-CB 3.15Å; S244-E246 PolarHBondContact OG-N 2.78Å; S244-N248 PolarHBondContact O-ND2 3.46Å
245	R	78.1	Confident	84.9	Confident	208 Å²	208	74.7 Å²	74.7	79%	0.785	40%	0.395	S	S	*	.	S	Bend	trans	-74.5	-28.9	175.4	-64	-172.2	-179.7	-146.3	1	113.1	F247 N248 D249	R245-F247 PolarHBondContact O-N 2.8Å; R245-N248 PolarHBondContact O-N 2.94Å; R245-D249 PolarHBondContact O-N 3.44Å
246	E	74.9	Confident	84.6	Confident	158 Å²	158	75.5 Å²	75.5	74%	0.738	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.4	-174.9	-174	-176.4	-169	0	0	113.7	S244	S244-E246 WeakPolarHBondContact OG-CB 3.15Å; S244-E246 PolarHBondContact OG-N 2.78Å
247	F	72.3	Confident	84.7	Confident	44 Å²	44	72.5 Å²	72.5	19%	0.193	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	6.7	-177.8	-59.6	-67.2	0	0	0	113.9	A200 R245 R260 M301	A200-F247 HydrophobicContact CB-CD1 3.62Å; A200-F247 HydrophobicContact CB-CE1 3.68Å; R245-F247 PolarHBondContact O-N 2.8Å; F247-R260 PolarHBondContact O-NH1 3.33Å; F247-M301 HydrophobicContact CB-CE 3.94Å; F247-M301 HydrophobicContact CD1-CE 4.34Å; F247-M301 HydrophobicContact CG-CE 4.47Å
248	N	78.1	Confident	84.8	Confident	29 Å²	29	72.4 Å²	72.4	16%	0.155	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-18.8	-172.2	-71.2	-43.2	0	0	0	113.9	R237 H241 E242 S244 R245 R260	R237-N248 PolarHBondContact NH1-ND2 2.79Å; R237-N248 PolarHBondContact NH1-OD1 2.79Å; H241-N248 PolarHBondContact O-ND2 3.44Å; E242-N248 PolarHBondContact O-ND2 2.75Å; S244-N248 PolarHBondContact O-ND2 3.46Å; R245-N248 PolarHBondContact O-N 2.94Å; N248-R260 PolarHBondContact OD1-NH2 3.33Å
249	D	67.1	Low	84.9	Confident	133 Å²	133	72.4 Å²	72.4	71%	0.711	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	139.8	-179.6	-154	-3.6	0	0	0	112.2	R245 Q251	R245-D249 PolarHBondContact O-N 3.44Å; D249-Q251 PolarHBondContact O-N 3.38Å; D249-Q251 VanDerWaalsContact O-N 3.15Å
250	G	63.7	Low	84.9	Confident	74 Å²	74	69.6 Å²	69.6	76%	0.763	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	9.4	-178.9	0	0	0	0	0	117.2
251	Q	67.8	Low	85.1	Confident	113 Å²	113	63.8 Å²	63.8	53%	0.528	34%	0.338	S	S	.	.			trans	-98.4	136.4	-175.6	-67.5	-66.8	-51.7	0	0	112.9	D249 A253	D249-Q251 PolarHBondContact O-N 3.38Å; D249-Q251 VanDerWaalsContact O-N 3.15Å; Q251-A253 VanDerWaalsContact C-N 3.25Å; Q251-A253 PolarHBondContact O-N 3.49Å
252	I	76.4	Confident	85	Confident	139 Å²	139	66.2 Å²	66.2	71%	0.713	35%	0.349	S	S	*	.	S	Bend	trans	-69	-26.1	174.5	-61.1	170.7	0	0	0	111.5
253	A	87.5	Confident	84.7	Confident	6 Å²	6	67.1 Å²	67.1	5%	0.05	38%	0.376	C	S	.	.	S	Bend	trans	-75.6	135.4	-174.9	0	0	0	0	0	112.8	Q251 R260 Y269	Q251-A253 VanDerWaalsContact C-N 3.25Å; Q251-A253 PolarHBondContact O-N 3.49Å; A253-R260 VanDerWaalsContact CB-CD 3.44Å; A253-R260 HydrophobicContact CB-CG 3.74Å; A253-R260 VanDerWaalsContact CB-NE 3.31Å; A253-Y269 HydrophobicContact CB-CD1 4.14Å; A253-Y269 HydrophobicContact CB-CD2 4.14Å; A253-Y269 HydrophobicContact CB-CE1 3.62Å; A253-Y269 HydrophobicContact CB-CE2 3.63Å; A253-Y269 HydrophobicContact CB-CG 4.38Å
254	P	91.3	Very high	84.6	Confident	44 Å²	44	62 Å²	62	29%	0.286	35%	0.349	S	S	.	.			trans	-54.2	144.3	176.2	-26.7	34.6	0	0	0	113.1	S256 H257 R260 Y269	P254-S256 PolarHBondContact O-N 3.19Å; P254-H257 PolarHBondContact O-N 2.95Å; P254-R260 PolarHBondContact O-NH2 2.93Å; P254-Y269 VanDerWaalsContact CD-CB 3.43Å; P254-Y269 VanDerWaalsContact CD-CG 3.49Å; P254-Y269 HydrophobicContact CG-CG 4.48Å
255	P	92.1	Very high	84.8	Confident	66 Å²	66	64.7 Å²	64.7	43%	0.429	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.5	178.7	-28	36.4	0	0	0	114.6	R237 E242	R237-P255 WeakPolarHBondContact CD-O 3.47Å; R237-P255 PolarHBondContact NH1-O 3.04Å; E242-P255 HydrophobicContact CG-CB 4.21Å; E242-P255 WeakPolarHBondContact O-CB 3.33Å
256	S	92.1	Very high	85.4	Confident	18 Å²	18	60.5 Å²	60.5	13%	0.126	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-28.7	-176.2	59.7	0	0	0	0	114.3	R237 E242 P254 L258 Q278	R237-S256 WeakPolarHBondContact CG-O 3.45Å; R237-S256 PolarHBondContact N-O 2.87Å; E242-S256 WeakPolarHBondContact OE1-CA 3.32Å; E242-S256 WeakPolarHBondContact OE1-CB 3.42Å; P254-S256 PolarHBondContact O-N 3.19Å; S256-L258 PolarHBondContact O-N 2.91Å; S256-Q278 PolarHBondContact O-OE1 2.93Å; S256-Q278 PolarHBondContact OG-NE2 2.7Å
257	H	95.3	Very high	86.4	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.032	33%	0.326	C	S	.	.			trans	-68.1	124.4	-172.1	-84	-123.8	0	0	0	113.1	R237 P254 Y269 L270 S279	R237-H257 WeakPolarHBondContact CD-O 3.39Å; P254-H257 PolarHBondContact O-N 2.95Å; H257-Y269 HydrophobicContact CB-CD1 4.31Å; H257-Y269 AromaticContact ND1-CD1 3.6Å; H257-L270 PolarHBondContact CE1-O 2.9Å; H257-S279 PolarHBondContact CE1-O 2.91Å; H257-S279 VanDerWaalsContact CE1-O 3.27Å
258	L	97.4	Very high	87.5	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	34%	0.342	C	S	.	.	S	Bend	trans	-67.5	-42.4	176.3	176.2	62.6	0	0	0	113.1	P223 V235 S256 F300 M301 C302 M310 I315	P223-L258 HydrophobicContact CB-CD2 4.22Å; P223-L258 HydrophobicContact CG-CD2 4.43Å; V235-L258 HydrophobicContact CG1-CD2 3.51Å; S256-L258 PolarHBondContact O-N 2.91Å; L258-F300 WeakPolarHBondContact O-CA 3.32Å; L258-M301 PolarHBondContact O-N 3.11Å; L258-C302 HydrophobicContact CD1-CB 3.63Å; L258-M310 HydrophobicContact CD1-CE 3.73Å; L258-M310 HydrophobicContact CD2-CE 3.93Å; L258-M310 HydrophobicContact CD2-SD 3.93Å; L258-I315 HydrophobicContact CD2-CD1 3.81Å
259	I	97.6	Very high	88.3	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.026	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132	-177.2	-49.6	179.7	0	0	0	108.7	A221 P223 V280 Y298 F300 I317	A221-I259 HydrophobicContact CB-CD1 4.25Å; P223-I259 HydrophobicContact CB-CD1 4.12Å; P223-I259 HydrophobicContact CB-CG1 4.49Å; P223-I259 HydrophobicContact CG-CD1 4.02Å; P223-I259 HydrophobicContact CG-CG1 4.19Å; I259-V280 HydrophobicContact CB-CG1 4.3Å; I259-V280 HydrophobicContact CG2-CG1 3.91Å; I259-Y298 HydrophobicContact CG2-CD1 3.59Å; I259-Y298 HydrophobicContact CG2-CE1 4.16Å; I259-Y298 HydrophobicContact CG2-CG 4.43Å; I259-F300 HydrophobicContact CD1-CE1 4.29Å; I259-F300 HydrophobicContact CG1-CD1 4.17Å; I259-F300 HydrophobicContact CG1-CE1 4.01Å; I259-I317 HydrophobicContact CD1-CD1 4.01Å; I259-I317 HydrophobicContact CD1-CG2 4.02Å
260	R	95.8	Very high	89.7	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	161.3	171	-65.6	-172.5	178.9	170.8	-0.1	111.4	F247 N248 A253 P254 Y269 Y298 N299 M301	F247-R260 PolarHBondContact O-NH1 3.33Å; N248-R260 PolarHBondContact OD1-NH2 3.33Å; A253-R260 VanDerWaalsContact CB-CD 3.44Å; A253-R260 HydrophobicContact CB-CG 3.74Å; A253-R260 VanDerWaalsContact CB-NE 3.31Å; P254-R260 PolarHBondContact O-NH2 2.93Å; R260-Y269 WeakPolarHBondContact CA-OH 3.48Å; R260-Y269 HydrophobicContact CB-CE1 4.4Å; R260-Y269 HydrophobicContact CG-CE1 4.09Å; R260-Y298 CarbonylContact O-C 3.57Å; R260-Y298 VanDerWaalsContact O-CA 3.28Å; R260-Y298 WeakPolarHBondContact O-CA 3.5Å; R260-N299 HydrophobicContact CB-CB 4.48Å; R260-N299 PolarHBondContact N-O 3.2Å; R260-N299 PolarHBondContact O-N 2.93Å; R260-M301 HydrophobicContact CB-CG 4.33Å; R260-M301 HydrophobicContact CB-SD 4.43Å; R260-M301 HydrophobicContact CG-CG 3.74Å; R260-M301 HydrophobicContact CG-SD 4.34Å
261	V	96	Very high	91.2	Very high	12 Å²	12	54.9 Å²	54.9	7%	0.073	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.6	175.9	177.3	0	0	0	0	108.4	N264 A267 Y269 V280 V282 I296 L297 Y298	V261-N264 HydrophobicContact CG1-CB 3.89Å; V261-A267 HydrophobicContact CB-CB 3.92Å; V261-A267 HydrophobicContact CG1-CB 4.22Å; V261-A267 HydrophobicContact CG2-CB 4.44Å; V261-Y269 PolarHBondContact N-OH 3.38Å; V261-V280 HydrophobicContact CG2-CG1 4.01Å; V261-V280 HydrophobicContact CG2-CG2 3.72Å; V261-V282 HydrophobicContact CB-CG2 4.34Å; V261-V282 HydrophobicContact CG1-CG2 3.98Å; V261-V282 HydrophobicContact CG2-CG2 3.68Å; V261-I296 HydrophobicContact CG1-CG2 4.03Å; V261-I296 HydrophobicContact CG2-CG2 4.3Å; V261-L297 CarbonylContact C-O 3.54Å; V261-L297 WeakPolarHBondContact CA-O 3.43Å; V261-Y298 HydrophobicContact CG2-CD1 3.75Å; V261-Y298 HydrophobicContact CG2-CE1 3.6Å
262	E	92	Very high	92.3	Very high	85 Å²	85	51.6 Å²	51.6	40%	0.397	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.1	178.4	178.5	174.1	174.8	0	0	110.4	T202 N264 L297 N299	T202-E262 WeakPolarHBondContact CB-OE2 3.35Å; T202-E262 WeakPolarHBondContact CG2-OE2 3.27Å; T202-E262 PolarHBondContact OG1-OE2 2.85Å; E262-N264 PolarHBondContact O-N 2.72Å; E262-L297 HydrophobicContact CB-CB 4.15Å; E262-L297 PolarHBondContact N-O 3.33Å; E262-N299 VanDerWaalsContact CB-OD1 3.25Å; E262-N299 WeakPolarHBondContact CB-OD1 3.41Å; E262-N299 PolarHBondContact OE2-ND2 2.87Å; E262-N299 PolarHBondContact OE2-OD1 3.4Å
263	G	87.5	Confident	93	Very high	84 Å²	84	51.8 Å²	51.8	87%	0.866	30%	0.303	S	S	*	.	S	Bend	trans	73.7	-1.9	175.9	0	0	0	0	0	116.6
264	N	88.5	Confident	93	Very high	36 Å²	36	57.3 Å²	57.3	19%	0.193	33%	0.33	C	S	.	.			trans	-120.9	109.9	178.1	-165.8	-56.2	0	0	0	111.6	V261 E262 H266 A267	V261-N264 HydrophobicContact CG1-CB 3.89Å; E262-N264 PolarHBondContact O-N 2.72Å; N264-H266 VanDerWaalsContact C-N 3.28Å; N264-H266 PolarHBondContact O-N 3.13Å; N264-H266 WeakPolarHBondContact OD1-CA 3.45Å; N264-H266 WeakPolarHBondContact OD1-CB 3.38Å; N264-H266 PolarHBondContact OD1-N 3.16Å; N264-A267 WeakPolarHBondContact O-CB 3.42Å; N264-A267 PolarHBondContact O-N 3.37Å; N264-A267 PolarHBondContact OD1-N 3.12Å
265	S	88.8	Confident	93	Very high	92 Å²	92	56.6 Å²	56.6	64%	0.643	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.4	178.4	50.6	0	0	0	0	114.2	A267	S265-A267 VanDerWaalsContact C-N 3.34Å
266	H	91.4	Very high	93.1	Very high	120 Å²	120	54.3 Å²	54.3	56%	0.556	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	3.3	175.8	-56.8	-78	0	0	0	112.8	N264 Q268 P283	N264-H266 VanDerWaalsContact C-N 3.28Å; N264-H266 PolarHBondContact O-N 3.13Å; N264-H266 WeakPolarHBondContact OD1-CA 3.45Å; N264-H266 WeakPolarHBondContact OD1-CB 3.38Å; N264-H266 PolarHBondContact OD1-N 3.16Å; H266-Q268 PolarHBondContact O-N 2.94Å; H266-P283 HydrophobicContact CB-CG 3.84Å
267	A	95.3	Very high	93.2	Very high	10 Å²	10	54 Å²	54	8%	0.083	31%	0.31	C	S	.	.			trans	-64.4	122	175.1	0	0	0	0	0	111.4	V261 N264 S265 Y269 V280 L281	V261-A267 HydrophobicContact CB-CB 3.92Å; V261-A267 HydrophobicContact CG1-CB 4.22Å; V261-A267 HydrophobicContact CG2-CB 4.44Å; N264-A267 WeakPolarHBondContact O-CB 3.42Å; N264-A267 PolarHBondContact O-N 3.37Å; N264-A267 PolarHBondContact OD1-N 3.12Å; S265-A267 VanDerWaalsContact C-N 3.34Å; A267-Y269 HydrophobicContact CB-CE2 4.22Å; A267-V280 HydrophobicContact CB-CG2 4.3Å; A267-L281 CarbonylContact C-O 3.56Å; A267-L281 VanDerWaalsContact CA-O 3.31Å; A267-L281 WeakPolarHBondContact CA-O 3.37Å
268	Q	95.4	Very high	93.2	Very high	114 Å²	114	54 Å²	54	53%	0.533	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.7	-179.2	-61.9	-179.7	12	0	0	110.6	H266 V280 L281	H266-Q268 PolarHBondContact O-N 2.94Å; Q268-V280 CarbonylContact O-C 3.6Å; Q268-V280 WeakPolarHBondContact O-CA 3.44Å; Q268-L281 HydrophobicContact CB-CB 4.4Å; Q268-L281 PolarHBondContact N-O 2.82Å; Q268-L281 PolarHBondContact O-N 3.08Å
269	Y	96.2	Very high	93.2	Very high	38 Å²	38	54.3 Å²	54.3	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115	-179.8	-65.7	-89.7	0	0	0	109.2	A253 P254 H257 R260 V261 A267 V280	A253-Y269 HydrophobicContact CB-CD1 4.14Å; A253-Y269 HydrophobicContact CB-CD2 4.14Å; A253-Y269 HydrophobicContact CB-CE1 3.62Å; A253-Y269 HydrophobicContact CB-CE2 3.63Å; A253-Y269 HydrophobicContact CB-CG 4.38Å; P254-Y269 VanDerWaalsContact CD-CB 3.43Å; P254-Y269 VanDerWaalsContact CD-CG 3.49Å; P254-Y269 HydrophobicContact CG-CG 4.48Å; H257-Y269 HydrophobicContact CB-CD1 4.31Å; H257-Y269 AromaticContact ND1-CD1 3.6Å; R260-Y269 WeakPolarHBondContact CA-OH 3.48Å; R260-Y269 HydrophobicContact CB-CE1 4.4Å; R260-Y269 HydrophobicContact CG-CE1 4.09Å; V261-Y269 PolarHBondContact N-OH 3.38Å; A267-Y269 HydrophobicContact CB-CE2 4.22Å; Y269-V280 HydrophobicContact CD1-CB 4.02Å; Y269-V280 HydrophobicContact CD1-CG2 3.88Å; Y269-V280 HydrophobicContact CE1-CB 3.95Å; Y269-V280 HydrophobicContact CE1-CG2 3.57Å; Y269-V280 HydrophobicContact CE2-CG2 4.32Å; Y269-V280 HydrophobicContact CG-CG2 4.37Å
270	L	94.7	Very high	93.2	Very high	74 Å²	74	54.1 Å²	54.1	39%	0.387	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.9	-178	-60.4	-173.2	0	0	0	111.2	H257 Q278 S279 L281	H257-L270 PolarHBondContact CE1-O 2.9Å; L270-Q278 WeakPolarHBondContact O-CA 3.47Å; L270-S279 PolarHBondContact N-O 3.2Å; L270-S279 PolarHBondContact O-N 3.09Å; L270-L281 HydrophobicContact CB-CD1 4.26Å; L270-L281 HydrophobicContact CD1-CD1 3.67Å; L270-L281 HydrophobicContact CD1-CD2 4.03Å; L270-L281 HydrophobicContact CG-CD1 3.81Å
271	E	95.3	Very high	93.3	Very high	83 Å²	83	54.6 Å²	54.6	39%	0.388	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.9	161.5	-173	158.1	163	0	0	107.9	K236 T273 R277 Q278	K236-E271 IonicContact NZ-OE1 2.92Å; K236-E271 PolarHBondContact NZ-OE1 3.35Å; K236-E271 IonicContact NZ-OE2 2.87Å; E271-T273 PolarHBondContact O-N 2.9Å; E271-R277 WeakPolarHBondContact CA-O 3.44Å; E271-Q278 HydrophobicContact CB-CG 4.21Å; E271-Q278 HydrophobicContact CG-CG 4.01Å; E271-Q278 WeakPolarHBondContact OE2-CG 3.38Å; E271-Q278 PolarHBondContact OE2-NE2 2.98Å
272	D	92.1	Very high	93.3	Very high	45 Å²	45	54.3 Å²	54.3	24%	0.241	31%	0.312	C	S	.	.			trans	-65.9	123.1	178.2	176	-73.3	0	0	0	109.7	I274 T275 G276 R277	D272-I274 PolarHBondContact O-N 3.16Å; D272-I274 PolarHBondContact OD1-N 2.89Å; D272-I274 VanDerWaalsContact OD1-N 3.09Å; D272-T275 WeakPolarHBondContact CB-OG1 3.37Å; D272-T275 WeakPolarHBondContact OD1-CB 3.23Å; D272-T275 PolarHBondContact OD1-N 3.11Å; D272-T275 PolarHBondContact OD1-OG1 3.15Å; D272-G276 WeakPolarHBondContact O-CA 3.35Å; D272-G276 PolarHBondContact O-N 2.89Å; D272-R277 HydrophobicContact CB-CB 4.47Å; D272-R277 PolarHBondContact N-O 2.83Å
273	T	90.8	Very high	93.6	Very high	143 Å²	143	52.5 Å²	52.5	88%	0.877	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-15	-169.4	52.5	0	0	0	0	114.4	E271	E271-T273 PolarHBondContact O-N 2.9Å
274	I	88.3	Confident	94	Very high	121 Å²	121	50.2 Å²	50.2	62%	0.621	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-41.6	-177.5	-57.1	179.2	0	0	0	110.3	P155 D272	P155-I274 HydrophobicContact CB-CD1 3.73Å; D272-I274 PolarHBondContact O-N 3.16Å; D272-I274 PolarHBondContact OD1-N 2.89Å; D272-I274 VanDerWaalsContact OD1-N 3.09Å
275	T	90.8	Very high	94.3	Very high	30 Å²	30	53.3 Å²	53.3	18%	0.184	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-11.9	-173.3	65.3	0	0	0	0	113.7	A158 V234 D272 R277	A158-T275 HydrophobicContact CB-CG2 4.4Å; V234-T275 WeakPolarHBondContact CG2-O 3.37Å; D272-T275 WeakPolarHBondContact CB-OG1 3.37Å; D272-T275 WeakPolarHBondContact OD1-CB 3.23Å; D272-T275 PolarHBondContact OD1-N 3.11Å; D272-T275 PolarHBondContact OD1-OG1 3.15Å; T275-R277 PolarHBondContact O-N 3.49Å; T275-R277 WeakPolarHBondContact OG1-CB 3.29Å; T275-R277 WeakPolarHBondContact OG1-CG 3.34Å; T275-R277 PolarHBondContact OG1-N 3.26Å
276	G	93	Very high	94.5	Very high	18 Å²	18	53.2 Å²	53.2	19%	0.186	28%	0.283	C	S	.	.			trans	65.4	10	-172.6	0	0	0	0	0	114	V234 D272	V234-G276 VanDerWaalsContact CG1-O 3.27Å; V234-G276 WeakPolarHBondContact CG1-O 3.21Å; V234-G276 WeakPolarHBondContact CG2-O 3.21Å; D272-G276 WeakPolarHBondContact O-CA 3.35Å; D272-G276 PolarHBondContact O-N 2.89Å
277	R	95	Very high	94.6	Very high	12 Å²	12	49.3 Å²	49.3	5%	0.045	27%	0.269	C	S	.	.			trans	-75.1	129.1	-174.9	-70.3	-175.6	-172.1	-73.8	1.6	111	A158 M222 V231 E233 V234 E271 D272 T275	A158-R277 PolarHBondContact O-NE 3.28Å; A158-R277 VanDerWaalsContact O-NE 3.15Å; A158-R277 PolarHBondContact O-NH2 3.03Å; M222-R277 HydrophobicContact SD-CB 4.04Å; V231-R277 PolarHBondContact O-NH1 3.14Å; V231-R277 PolarHBondContact O-NH2 3.3Å; E233-R277 PolarHBondContact O-NH1 3.03Å; V234-R277 HydrophobicContact CG2-CG 4.38Å; E271-R277 WeakPolarHBondContact CA-O 3.44Å; D272-R277 HydrophobicContact CB-CB 4.47Å; D272-R277 PolarHBondContact N-O 2.83Å; T275-R277 PolarHBondContact O-N 3.49Å; T275-R277 WeakPolarHBondContact OG1-CB 3.29Å; T275-R277 WeakPolarHBondContact OG1-CG 3.34Å; T275-R277 PolarHBondContact OG1-N 3.26Å
278	Q	96.3	Very high	94.4	Very high	6 Å²	6	56.5 Å²	56.5	3%	0.028	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.4	-179	-68.2	178.2	-12	0	0	110.5	P223 S256 L270 E271	P223-Q278 WeakPolarHBondContact CD-O 3.4Å; S256-Q278 PolarHBondContact O-OE1 2.93Å; S256-Q278 PolarHBondContact OG-NE2 2.7Å; L270-Q278 WeakPolarHBondContact O-CA 3.47Å; E271-Q278 HydrophobicContact CB-CG 4.21Å; E271-Q278 HydrophobicContact CG-CG 4.01Å; E271-Q278 WeakPolarHBondContact OE2-CG 3.38Å; E271-Q278 PolarHBondContact OE2-NE2 2.98Å
279	S	97	Very high	94.3	Very high	8 Å²	8	58.7 Å²	58.7	6%	0.056	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	160.1	176.8	63.5	0	0	0	0	111	R220 A221 H257 L270	R220-S279 PolarHBondContact NH1-OG 3.11Å; R220-S279 VanDerWaalsContact NH1-OG 3.1Å; A221-S279 WeakPolarHBondContact O-CA 3.35Å; A221-S279 WeakPolarHBondContact O-CB 3.32Å; H257-S279 PolarHBondContact CE1-O 2.91Å; H257-S279 VanDerWaalsContact CE1-O 3.27Å; L270-S279 PolarHBondContact N-O 3.2Å; L270-S279 PolarHBondContact O-N 3.09Å
280	V	97.4	Very high	94	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.2	170.7	62.1	0	0	0	0	109.2	R220 A221 I259 V261 A267 Q268 Y269 Y298	R220-V280 CarbonylContact C-O 3.59Å; R220-V280 VanDerWaalsContact CA-O 3.32Å; R220-V280 WeakPolarHBondContact CA-O 3.3Å; A221-V280 HydrophobicContact CB-CG1 4.12Å; A221-V280 PolarHBondContact N-O 3.42Å; A221-V280 PolarHBondContact O-N 3.23Å; I259-V280 HydrophobicContact CB-CG1 4.3Å; I259-V280 HydrophobicContact CG2-CG1 3.91Å; V261-V280 HydrophobicContact CG2-CG1 4.01Å; V261-V280 HydrophobicContact CG2-CG2 3.72Å; A267-V280 HydrophobicContact CB-CG2 4.3Å; Q268-V280 CarbonylContact O-C 3.6Å; Q268-V280 WeakPolarHBondContact O-CA 3.44Å; Y269-V280 HydrophobicContact CD1-CB 4.02Å; Y269-V280 HydrophobicContact CD1-CG2 3.88Å; Y269-V280 HydrophobicContact CE1-CB 3.95Å; Y269-V280 HydrophobicContact CE1-CG2 3.57Å; Y269-V280 HydrophobicContact CE2-CG2 4.32Å; Y269-V280 HydrophobicContact CG-CG2 4.37Å; V280-Y298 HydrophobicContact CG1-CE1 4.08Å
281	L	97.1	Very high	93.9	Very high	15 Å²	15	60.3 Å²	60.3	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.3	177.7	-64.9	68.4	0	0	0	108.5	V218 I219 R220 A267 Q268 L270	V218-L281 HydrophobicContact CG2-CD2 4.25Å; I219-L281 CarbonylContact O-C 3.45Å; I219-L281 WeakPolarHBondContact O-CA 3.41Å; R220-L281 HydrophobicContact CB-CG 4.26Å; R220-L281 HydrophobicContact CG-CD1 4.21Å; R220-L281 HydrophobicContact CG-CG 4.27Å; A267-L281 CarbonylContact C-O 3.56Å; A267-L281 VanDerWaalsContact CA-O 3.31Å; A267-L281 WeakPolarHBondContact CA-O 3.37Å; Q268-L281 HydrophobicContact CB-CB 4.4Å; Q268-L281 PolarHBondContact N-O 2.82Å; Q268-L281 PolarHBondContact O-N 3.08Å; L270-L281 HydrophobicContact CB-CD1 4.26Å; L270-L281 HydrophobicContact CD1-CD1 3.67Å; L270-L281 HydrophobicContact CD1-CD2 4.03Å; L270-L281 HydrophobicContact CG-CD1 3.81Å
282	V	97.1	Very high	93.8	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.1	170.1	-171.5	0	0	0	0	107	V218 I219 V261 Y284 I296	V218-V282 CarbonylContact C-O 3.52Å; V218-V282 WeakPolarHBondContact CA-O 3.4Å; I219-V282 PolarHBondContact N-O 3.3Å; I219-V282 PolarHBondContact O-N 3.44Å; V261-V282 HydrophobicContact CB-CG2 4.34Å; V261-V282 HydrophobicContact CG1-CG2 3.98Å; V261-V282 HydrophobicContact CG2-CG2 3.68Å; V282-Y284 PolarHBondContact O-N 3.24Å; V282-I296 HydrophobicContact CB-CD1 4.28Å; V282-I296 HydrophobicContact CG2-CD1 4.46Å; V282-I296 HydrophobicContact CG2-CG2 4.21Å
283	P	96.6	Very high	93.9	Very high	48 Å²	48	63.8 Å²	63.8	31%	0.312	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	138	169.7	-25.2	35.1	0	0	0	110.8	H266 E285	H266-P283 HydrophobicContact CB-CG 3.84Å; P283-E285 PolarHBondContact O-N 3.36Å
284	Y	96.4	Very high	94.2	Very high	36 Å²	36	58.1 Å²	58.1	14%	0.141	34%	0.335	C	S	.	.			trans	-71.4	118.9	172	171	-93	0	0	0	109.2	V209 P213 A217 I219 V282 P286 P287 L321	V209-Y284 HydrophobicContact CG2-CE2 4.04Å; V209-Y284 WeakPolarHBondContact CG2-OH 3.44Å; P213-Y284 VanDerWaalsContact CD-CE1 3.45Å; P213-Y284 HydrophobicContact CG-CD1 3.44Å; P213-Y284 VanDerWaalsContact CG-CD1 3.44Å; P213-Y284 HydrophobicContact CG-CD2 4.29Å; P213-Y284 HydrophobicContact CG-CE1 3.5Å; P213-Y284 VanDerWaalsContact CG-CE1 3.5Å; P213-Y284 HydrophobicContact CG-CE2 4.33Å; P213-Y284 HydrophobicContact CG-CG 3.86Å; A217-Y284 WeakPolarHBondContact O-CB 3.41Å; A217-Y284 PolarHBondContact O-N 3.05Å; I219-Y284 HydrophobicContact CD1-CD2 4.18Å; I219-Y284 HydrophobicContact CG1-CD2 4.39Å; V282-Y284 PolarHBondContact O-N 3.24Å; Y284-P286 HydrophobicContact CE1-CB 4.49Å; Y284-P286 HydrophobicContact CE1-CG 4.11Å; Y284-P287 WeakPolarHBondContact OH-CD 3.42Å; Y284-L321 HydrophobicContact CD2-CD1 4.45Å
285	E	94.5	Very high	94.6	Very high	100 Å²	100	55.4 Å²	55.4	47%	0.467	32%	0.324	S	S	.	.			trans	-105.1	130.2	170.9	-69.9	173.9	-164.9	0	0	108.6	P283 T294	P283-E285 PolarHBondContact O-N 3.36Å; E285-T294 HydrophobicContact CB-CG2 4.38Å; E285-T294 WeakPolarHBondContact O-CB 3.23Å; E285-T294 WeakPolarHBondContact O-CG2 3.42Å; E285-T294 PolarHBondContact O-OG1 3.32Å
286	P	93.5	Very high	94.9	Very high	90 Å²	90	54.6 Å²	54.6	58%	0.584	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-57.8	150.5	174.3	-24.5	34.2	0	0	0	112.6	Y284	Y284-P286 HydrophobicContact CE1-CB 4.49Å; Y284-P286 HydrophobicContact CE1-CG 4.11Å
287	P	94.4	Very high	95.1	Very high	39 Å²	39	56.7 Å²	56.7	25%	0.253	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-53.1	149.3	171.1	-27.4	35.3	0	0	0	112.4	Y284 T291	Y284-P287 WeakPolarHBondContact OH-CD 3.42Å; P287-T291 WeakPolarHBondContact CB-O 3.48Å
288	Q	91.3	Very high	95.2	Very high	160 Å²	160	56.3 Å²	56.3	75%	0.748	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-70	156.4	174.4	-66.8	-176.5	-3.6	0	0	110.2	G290 T291	Q288-G290 PolarHBondContact O-N 3.02Å; Q288-G290 VanDerWaalsContact O-N 3.15Å; Q288-T291 PolarHBondContact N-OG1 3.13Å; Q288-T291 PolarHBondContact O-N 3.1Å; Q288-T291 PolarHBondContact O-OG1 2.94Å
289	V	92.1	Very high	95.2	Very high	160 Å²	160	56.7 Å²	56.7	97%	0.97	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	123.2	178.8	-179.2	0	0	0	0	109.5
290	G	90.5	Very high	95.2	Very high	85 Å²	85	56.4 Å²	56.4	88%	0.876	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	1.9	-175	0	0	0	0	0	115.4	Q288	Q288-G290 PolarHBondContact O-N 3.02Å; Q288-G290 VanDerWaalsContact O-N 3.15Å
291	T	92.8	Very high	95.2	Very high	61 Å²	61	56.9 Å²	56.9	37%	0.374	33%	0.326	S	S	.	.			trans	-117.7	145.5	171.2	74.4	0	0	0	0	112.3	P287 Q288 F293	P287-T291 WeakPolarHBondContact CB-O 3.48Å; Q288-T291 PolarHBondContact N-OG1 3.13Å; Q288-T291 PolarHBondContact O-N 3.1Å; Q288-T291 PolarHBondContact O-OG1 2.94Å; T291-F293 PolarHBondContact OG1-O 3.2Å; T291-F293 VanDerWaalsContact OG1-O 3.13Å
292	E	92	Very high	95.2	Very high	144 Å²	144	56.1 Å²	56.1	67%	0.673	32%	0.322	S	S	*	.	S	Bend	trans	-90.1	-0.6	177.6	-56.9	-178.1	152	0	0	113.5	K208	K208-E292 IonicContact NZ-OE2 3.11Å; K208-E292 PolarHBondContact NZ-OE2 3.17Å
293	F	95.7	Very high	95.2	Very high	57 Å²	57	57.5 Å²	57.5	25%	0.25	33%	0.329	C	S	.	.			trans	-148.4	154.4	-170.1	56.8	-94.3	0	0	0	112	Q206 I207 K208 T291	Q206-F293 HydrophobicContact CB-CB 4.14Å; Q206-F293 HydrophobicContact CB-CD2 3.93Å; Q206-F293 HydrophobicContact CB-CG 4.08Å; Q206-F293 HydrophobicContact CG-CD2 3.62Å; Q206-F293 HydrophobicContact CG-CE2 3.87Å; Q206-F293 HydrophobicContact CG-CG 4.14Å; Q206-F293 VanDerWaalsContact NE2-CE2 3.29Å; Q206-F293 VanDerWaalsContact NE2-CZ 3.26Å; I207-F293 VanDerWaalsContact O-CA 3.29Å; I207-F293 WeakPolarHBondContact O-CA 3.33Å; I207-F293 WeakPolarHBondContact O-CB 3.35Å; K208-F293 HydrophobicContact CG-CB 3.77Å; T291-F293 PolarHBondContact OG1-O 3.2Å; T291-F293 VanDerWaalsContact OG1-O 3.13Å
294	T	95.8	Very high	95.3	Very high	25 Å²	25	56 Å²	56	15%	0.153	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	136.3	168.5	-55.6	0	0	0	0	108.3	I207 E285	I207-T294 PolarHBondContact N-O 3.17Å; I207-T294 PolarHBondContact O-N 2.92Å; E285-T294 HydrophobicContact CB-CG2 4.38Å; E285-T294 WeakPolarHBondContact O-CB 3.23Å; E285-T294 WeakPolarHBondContact O-CG2 3.42Å; E285-T294 PolarHBondContact O-OG1 3.32Å
295	T	96.5	Very high	95.3	Very high	63 Å²	63	57.5 Å²	57.5	39%	0.387	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.8	-179	-56.9	0	0	0	0	110.6	P204 I205 L297	P204-T295 HydrophobicContact CB-CG2 3.64Å; I205-T295 WeakPolarHBondContact O-CA 3.42Å; T295-L297 HydrophobicContact CG2-CD2 4.11Å
296	I	97.5	Very high	95.4	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.067	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	130.5	170.6	-55.1	177.7	0	0	0	108.6	I205 I207 I219 V261 V282 Y298	I205-I296 PolarHBondContact N-O 3.11Å; I205-I296 PolarHBondContact O-N 3.37Å; I207-I296 HydrophobicContact CD1-CD1 4.31Å; I207-I296 HydrophobicContact CG1-CD1 3.76Å; I207-I296 HydrophobicContact CG1-CG1 4.04Å; I219-I296 HydrophobicContact CB-CD1 3.87Å; I219-I296 HydrophobicContact CG1-CD1 4.12Å; I219-I296 HydrophobicContact CG2-CD1 3.75Å; V261-I296 HydrophobicContact CG1-CG2 4.03Å; V261-I296 HydrophobicContact CG2-CG2 4.3Å; V282-I296 HydrophobicContact CB-CD1 4.28Å; V282-I296 HydrophobicContact CG2-CD1 4.46Å; V282-I296 HydrophobicContact CG2-CG2 4.21Å; I296-Y298 HydrophobicContact CB-CD2 4.2Å; I296-Y298 HydrophobicContact CB-CE2 3.66Å; I296-Y298 HydrophobicContact CG2-CD1 4.36Å; I296-Y298 HydrophobicContact CG2-CD2 3.92Å; I296-Y298 HydrophobicContact CG2-CE1 3.94Å; I296-Y298 HydrophobicContact CG2-CE2 3.48Å; I296-Y298 VanDerWaalsContact CG2-CE2 3.48Å; I296-Y298 HydrophobicContact CG2-CG 4.37Å; I296-Y298 VanDerWaalsContact CG2-CZ 3.48Å
297	L	97.2	Very high	95.5	Very high	62 Å²	62	54.9 Å²	54.9	33%	0.325	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	106.1	180	-58.5	-176.7	0	0	0	109.3	T202 P204 V261 E262 T295	T202-L297 HydrophobicContact CG2-CB 3.77Å; T202-L297 HydrophobicContact CG2-CD1 4.19Å; T202-L297 HydrophobicContact CG2-CD2 4.08Å; T202-L297 HydrophobicContact CG2-CG 4.23Å; P204-L297 HydrophobicContact CB-CD2 3.89Å; V261-L297 CarbonylContact C-O 3.54Å; V261-L297 WeakPolarHBondContact CA-O 3.43Å; E262-L297 HydrophobicContact CB-CB 4.15Å; E262-L297 PolarHBondContact N-O 3.33Å; T295-L297 HydrophobicContact CG2-CD2 4.11Å
298	Y	97.8	Very high	95.4	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.016	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	145.9	-179.9	-69.9	-76.6	0	0	0	112.6	C203 I205 A221 I259 R260 V261 V280 I296	C203-Y298 WeakPolarHBondContact CB-O 3.2Å; C203-Y298 PolarHBondContact N-O 2.81Å; C203-Y298 PolarHBondContact O-N 2.96Å; I205-Y298 HydrophobicContact CB-CD2 3.94Å; I205-Y298 HydrophobicContact CB-CE2 4.15Å; I205-Y298 HydrophobicContact CD1-CD2 3.64Å; I205-Y298 HydrophobicContact CD1-CE2 4.22Å; I205-Y298 HydrophobicContact CD1-CG 4.44Å; I205-Y298 HydrophobicContact CG1-CD2 3.85Å; I205-Y298 HydrophobicContact CG1-CE2 4.48Å; A221-Y298 HydrophobicContact CB-CE1 3.75Å; I259-Y298 HydrophobicContact CG2-CD1 3.59Å; I259-Y298 HydrophobicContact CG2-CE1 4.16Å; I259-Y298 HydrophobicContact CG2-CG 4.43Å; R260-Y298 CarbonylContact O-C 3.57Å; R260-Y298 VanDerWaalsContact O-CA 3.28Å; R260-Y298 WeakPolarHBondContact O-CA 3.5Å; V261-Y298 HydrophobicContact CG2-CD1 3.75Å; V261-Y298 HydrophobicContact CG2-CE1 3.6Å; V280-Y298 HydrophobicContact CG1-CE1 4.08Å; I296-Y298 HydrophobicContact CB-CD2 4.2Å; I296-Y298 HydrophobicContact CB-CE2 3.66Å; I296-Y298 HydrophobicContact CG2-CD1 4.36Å; I296-Y298 HydrophobicContact CG2-CD2 3.92Å; I296-Y298 HydrophobicContact CG2-CE1 3.94Å; I296-Y298 HydrophobicContact CG2-CE2 3.48Å; I296-Y298 VanDerWaalsContact CG2-CE2 3.48Å; I296-Y298 HydrophobicContact CG2-CG 4.37Å; I296-Y298 VanDerWaalsContact CG2-CZ 3.48Å
299	N	96.2	Very high	95.5	Very high	15 Å²	15	48.4 Å²	48.4	8%	0.08	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.4	175.3	-49	65	0	0	0	108.7	A200 T202 R260 E262 M301	A200-N299 PolarHBondContact O-ND2 3.15Å; T202-N299 PolarHBondContact N-ND2 2.71Å; R260-N299 HydrophobicContact CB-CB 4.48Å; R260-N299 PolarHBondContact N-O 3.2Å; R260-N299 PolarHBondContact O-N 2.93Å; E262-N299 VanDerWaalsContact CB-OD1 3.25Å; E262-N299 WeakPolarHBondContact CB-OD1 3.41Å; E262-N299 PolarHBondContact OE2-ND2 2.87Å; E262-N299 PolarHBondContact OE2-OD1 3.4Å; N299-M301 HydrophobicContact CB-SD 3.76Å
300	F	97.6	Very high	95.7	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.6	-179	-61.7	-92.6	0	0	0	110.6	L195 I199 A200 C203 L258 I259 C302 I317 I338	L195-F300 HydrophobicContact CD2-CE2 3.75Å; L195-F300 HydrophobicContact CD2-CZ 4.03Å; I199-F300 WeakPolarHBondContact CA-O 3.47Å; A200-F300 PolarHBondContact N-O 3.17Å; C203-F300 HydrophobicContact CB-CE2 4.3Å; L258-F300 WeakPolarHBondContact O-CA 3.32Å; I259-F300 HydrophobicContact CD1-CE1 4.29Å; I259-F300 HydrophobicContact CG1-CD1 4.17Å; I259-F300 HydrophobicContact CG1-CE1 4.01Å; F300-C302 PolarHBondContact O-N 2.61Å; F300-I317 HydrophobicContact CE1-CD1 3.78Å; F300-I317 HydrophobicContact CE1-CG1 4.06Å; F300-I317 HydrophobicContact CZ-CG1 4.41Å; F300-I338 HydrophobicContact CB-CD1 4.14Å; F300-I338 HydrophobicContact CB-CG1 3.42Å; F300-I338 VanDerWaalsContact CB-CG1 3.42Å; F300-I338 HydrophobicContact CD1-CD1 4.26Å; F300-I338 HydrophobicContact CD1-CG1 4.42Å; F300-I338 HydrophobicContact CG-CD1 4.34Å; F300-I338 HydrophobicContact CG-CG1 4.03Å
301	M	96.4	Very high	96	Very high	11 Å²	11	40.6 Å²	40.6	5%	0.054	24%	0.241	C	C	.	.			trans	-95.2	14.9	-158.3	-51.4	-51.2	-65.4	0	0	115	A200 R237 F247 L258 R260 N299	A200-M301 HydrophobicContact CB-CE 3.74Å; A200-M301 HydrophobicContact CB-SD 4.12Å; R237-M301 PolarHBondContact NE-O 3.32Å; R237-M301 PolarHBondContact NH2-O 2.79Å; F247-M301 HydrophobicContact CB-CE 3.94Å; F247-M301 HydrophobicContact CD1-CE 4.34Å; F247-M301 HydrophobicContact CG-CE 4.47Å; L258-M301 PolarHBondContact O-N 3.11Å; R260-M301 HydrophobicContact CB-CG 4.33Å; R260-M301 HydrophobicContact CB-SD 4.43Å; R260-M301 HydrophobicContact CG-CG 3.74Å; R260-M301 HydrophobicContact CG-SD 4.34Å; N299-M301 HydrophobicContact CB-SD 3.76Å
302	C	97.1	Very high	96.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-153.3	140.6	176.7	-159.7	0	0	0	0	110.6	R237 C238 H241 L258 F300 C306 M310 I338	R237-C302 HydrophobicContact CB-CB 4.19Å; R237-C302 HydrophobicContact CG-CB 4.07Å; C238-C302 PolarHBondContact N-SG 2.92Å; C238-C302 VanDerWaalsContact SG-SG 3.65Å; H241-C302 PolarHBondContact ND1-SG 2.88Å; H241-C302 VanDerWaalsContact ND1-SG 3.41Å; L258-C302 HydrophobicContact CD1-CB 3.63Å; F300-C302 PolarHBondContact O-N 2.61Å; C302-C306 VanDerWaalsContact SG-CB 3.59Å; C302-C306 VanDerWaalsContact SG-SG 3.68Å; C302-M310 HydrophobicContact CB-CE 4.05Å; C302-M310 WeakPolarHBondContact O-CE 3.47Å; C302-I338 WeakPolarHBondContact O-CB 3.36Å; C302-I338 WeakPolarHBondContact O-CG1 3.48Å; C302-I338 WeakPolarHBondContact O-CG2 3.39Å
303	N	97.9	Very high	96.4	Very high	34 Å²	34	42.6 Å²	42.6	18%	0.182	24%	0.236	C	C	.	.			trans	-70.9	144.6	174.4	-73.4	-64.3	0	0	0	110.9	S305 C306	N303-S305 PolarHBondContact O-N 3.2Å; N303-S305 VanDerWaalsContact O-N 3.07Å; N303-C306 WeakPolarHBondContact O-CB 3.49Å; N303-C306 PolarHBondContact O-N 3.26Å
304	S	97.9	Very high	96.4	Very high	17 Å²	17	41.8 Å²	41.8	12%	0.119	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30.7	178.4	-42.3	0	0	0	0	112	M310 R312 I338	S304-M310 WeakPolarHBondContact O-CB 3.33Å; S304-R312 VanDerWaalsContact O-CA 3.3Å; S304-R312 WeakPolarHBondContact O-CA 3.31Å; S304-R312 PolarHBondContact O-N 2.89Å; S304-I338 WeakPolarHBondContact CB-O 3.46Å; S304-I338 PolarHBondContact N-O 2.8Å; S304-I338 PolarHBondContact OG-N 2.91Å; S304-I338 PolarHBondContact OG-O 3.43Å
305	S	97.4	Very high	96.6	Very high	66 Å²	66	40.7 Å²	40.7	46%	0.462	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-0	-178.2	55.5	0	0	0	0	115.3	N303 V307	N303-S305 PolarHBondContact O-N 3.2Å; N303-S305 VanDerWaalsContact O-N 3.07Å; S305-V307 PolarHBondContact O-N 3.08Å
306	C	96.9	Very high	96.6	Very high	19 Å²	19	38.6 Å²	38.6	13%	0.128	22%	0.216	C	C	.	.			trans	-67.8	121.2	-177.4	-76.6	0	0	0	0	112.6	C238 H241 C302 N303 G309 N311	C238-C306 HydrophobicContact CB-CB 3.96Å; H241-C306 PolarHBondContact CE1-SG 3.02Å; H241-C306 PolarHBondContact ND1-SG 3.16Å; C302-C306 VanDerWaalsContact SG-CB 3.59Å; C302-C306 VanDerWaalsContact SG-SG 3.68Å; N303-C306 WeakPolarHBondContact O-CB 3.49Å; N303-C306 PolarHBondContact O-N 3.26Å; C306-G309 PolarHBondContact O-N 3.45Å; C306-N311 VanDerWaalsContact O-CA 3.27Å; C306-N311 WeakPolarHBondContact O-CA 3.33Å; C306-N311 PolarHBondContact O-N 2.87Å
307	V	95.4	Very high	96.7	Very high	116 Å²	116	38.1 Å²	38.1	70%	0.703	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	143.5	168.8	-176.1	0	0	0	0	109.2	C238 S305 G309	C238-V307 WeakPolarHBondContact CB-O 3.4Å; S305-V307 PolarHBondContact O-N 3.08Å; V307-G309 PolarHBondContact O-N 2.86Å
308	G	91.1	Very high	96.7	Very high	56 Å²	56	35.3 Å²	35.3	58%	0.577	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	3	-175.6	0	0	0	0	0	115.2	P239	P239-G308 WeakPolarHBondContact CD-O 3.34Å
309	G	93	Very high	96.7	Very high	8 Å²	8	35.1 Å²	35.1	8%	0.082	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-120.6	170.6	0	0	0	0	0	110.4	Y225 C306 V307 N311	Y225-G309 PolarHBondContact OH-O 3Å; C306-G309 PolarHBondContact O-N 3.45Å; V307-G309 PolarHBondContact O-N 2.86Å; G309-N311 VanDerWaalsContact C-N 3.26Å; G309-N311 PolarHBondContact O-N 2.91Å
310	M	96.6	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32	176.7	-75.4	-179.4	-83.5	0	0	114.2	Y225 V235 L258 C302 S304 R312 R313 I315 I338	Y225-M310 HydrophobicContact CE1-CB 4.44Å; Y225-M310 HydrophobicContact CE1-CG 4.29Å; V235-M310 HydrophobicContact CG1-CG 3.94Å; V235-M310 HydrophobicContact CG1-SD 4.43Å; L258-M310 HydrophobicContact CD1-CE 3.73Å; L258-M310 HydrophobicContact CD2-CE 3.93Å; L258-M310 HydrophobicContact CD2-SD 3.93Å; C302-M310 HydrophobicContact CB-CE 4.05Å; C302-M310 WeakPolarHBondContact O-CE 3.47Å; S304-M310 WeakPolarHBondContact O-CB 3.33Å; M310-R312 PolarHBondContact O-N 2.69Å; M310-R313 WeakPolarHBondContact O-CB 3.34Å; M310-R313 VanDerWaalsContact O-CG 3.27Å; M310-R313 WeakPolarHBondContact O-CG 3.41Å; M310-R313 PolarHBondContact O-N 3.28Å; M310-R313 PolarHBondContact O-NE 2.83Å; M310-R313 VanDerWaalsContact O-NE 3.15Å; M310-I315 HydrophobicContact CG-CG2 4.19Å; M310-I315 HydrophobicContact SD-CD1 3.74Å; M310-I315 HydrophobicContact SD-CG1 4.2Å; M310-I315 HydrophobicContact SD-CG2 3.95Å; M310-I338 HydrophobicContact CE-CD1 4.12Å; M310-I338 HydrophobicContact SD-CD1 4.39Å
311	N	96.5	Very high	96.9	Very high	80 Å²	80	34.8 Å²	34.8	43%	0.428	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	51.2	176	-165	26.1	0	0	0	114.9	C306 G309 R313	C306-N311 VanDerWaalsContact O-CA 3.27Å; C306-N311 WeakPolarHBondContact O-CA 3.33Å; C306-N311 PolarHBondContact O-N 2.87Å; G309-N311 VanDerWaalsContact C-N 3.26Å; G309-N311 PolarHBondContact O-N 2.91Å; N311-R313 PolarHBondContact O-N 2.86Å; N311-R313 VanDerWaalsContact O-N 3.14Å
312	R	96.3	Very high	96.9	Very high	203 Å²	203	34.8 Å²	34.8	77%	0.766	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	7.8	-178.1	-53.1	178.9	-178.9	-148.5	0.9	115.3	S304 M310	S304-R312 VanDerWaalsContact O-CA 3.3Å; S304-R312 WeakPolarHBondContact O-CA 3.31Å; S304-R312 PolarHBondContact O-N 2.89Å; M310-R312 PolarHBondContact O-N 2.69Å
313	R	97.3	Very high	96.9	Very high	45 Å²	45	35.6 Å²	35.6	17%	0.17	20%	0.201	C	C	.	.			trans	-77.1	127.6	175.4	-57.6	-180	-75.1	-178.5	7.4	109.3	Y225 H230 E233 M310 N311	Y225-R313 HydrophobicContact CD1-CB 3.67Å; Y225-R313 HydrophobicContact CE1-CB 3.77Å; Y225-R313 PolarHBondContact OH-NH2 3.19Å; Y225-R313 VanDerWaalsContact OH-NH2 3.08Å; H230-R313 PolarHBondContact CD2-NH1 3.15Å; H230-R313 WeakPolarHBondContact CE1-CD 3.24Å; H230-R313 WeakPolarHBondContact ND1-CD 3.44Å; H230-R313 WeakPolarHBondContact NE2-CD 3.4Å; E233-R313 IonicContact OE1-CZ 2.72Å; E233-R313 IonicContact OE1-NH1 3.9Å; E233-R313 PolarHBondContact OE1-NH1 2.97Å; E233-R313 IonicContact OE2-CZ 3.27Å; E233-R313 IonicContact OE2-NH1 2.63Å; E233-R313 PolarHBondContact OE2-NH1 3.5Å; E233-R313 IonicContact OE2-NH2 3.12Å; E233-R313 PolarHBondContact OE2-NH2 3.21Å; M310-R313 WeakPolarHBondContact O-CB 3.34Å; M310-R313 VanDerWaalsContact O-CG 3.27Å; M310-R313 WeakPolarHBondContact O-CG 3.41Å; M310-R313 PolarHBondContact O-N 3.28Å; M310-R313 PolarHBondContact O-NE 2.83Å; M310-R313 VanDerWaalsContact O-NE 3.15Å; N311-R313 PolarHBondContact O-N 2.86Å; N311-R313 VanDerWaalsContact O-N 3.14Å
314	P	97.1	Very high	96.5	Very high	40 Å²	40	44.1 Å²	44.1	26%	0.26	23%	0.231	S	C	.	.			trans	-67.8	142.7	179.8	26.7	-33.2	0	0	0	110.9	K226 K227	K226-P314 HydrophobicContact CB-CB 4.22Å; K226-P314 HydrophobicContact CB-CG 4.19Å; K226-P314 WeakPolarHBondContact CB-O 3.44Å; K226-P314 HydrophobicContact CD-CB 4.5Å; K226-P314 PolarHBondContact N-O 2.78Å; K227-P314 HydrophobicContact CG-CG 4.4Å
315	I	98.3	Very high	96.1	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.2	178.7	61	164.8	0	0	0	111.4	P223 V224 Y225 V235 L258 M310 I317 E335 A336 I338	P223-I315 HydrophobicContact CB-CD1 4.48Å; V224-I315 CarbonylContact O-C 3.59Å; V224-I315 WeakPolarHBondContact O-CA 3.33Å; V224-I315 WeakPolarHBondContact O-CB 3.47Å; Y225-I315 HydrophobicContact CD1-CG2 3.72Å; Y225-I315 HydrophobicContact CE1-CG2 3.96Å; V235-I315 HydrophobicContact CG1-CG2 4.08Å; V235-I315 HydrophobicContact CG2-CG2 3.98Å; L258-I315 HydrophobicContact CD2-CD1 3.81Å; M310-I315 HydrophobicContact CG-CG2 4.19Å; M310-I315 HydrophobicContact SD-CD1 3.74Å; M310-I315 HydrophobicContact SD-CG1 4.2Å; M310-I315 HydrophobicContact SD-CG2 3.95Å; I315-I317 HydrophobicContact CD1-CD1 3.79Å; I315-I317 HydrophobicContact CG1-CD1 4.49Å; I315-E335 WeakPolarHBondContact O-CA 3.32Å; I315-E335 WeakPolarHBondContact O-CG 3.47Å; I315-A336 HydrophobicContact CD1-CB 4.21Å; I315-A336 HydrophobicContact CG1-CB 4.18Å; I315-A336 WeakPolarHBondContact CG1-O 3.39Å; I315-A336 PolarHBondContact O-N 3.04Å; I315-I338 HydrophobicContact CD1-CD1 4.12Å
316	L	97.9	Very high	95.8	Very high	19 Å²	19	48.9 Å²	48.9	10%	0.099	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.8	161.9	-63.2	174.4	0	0	0	108.6	N162 P223 V224 K226 F334 E335	N162-L316 HydrophobicContact CB-CD1 4.04Å; P223-L316 WeakPolarHBondContact CA-O 3.46Å; V224-L316 HydrophobicContact CG2-CB 3.95Å; V224-L316 PolarHBondContact N-O 2.67Å; V224-L316 PolarHBondContact O-N 3.48Å; K226-L316 HydrophobicContact CB-CD1 4.5Å; K226-L316 HydrophobicContact CB-CD2 4.48Å; K226-L316 HydrophobicContact CB-CG 3.97Å; K226-L316 HydrophobicContact CD-CD2 4.14Å; K226-L316 HydrophobicContact CG-CD1 4.22Å; K226-L316 HydrophobicContact CG-CD2 4.13Å; K226-L316 HydrophobicContact CG-CG 3.97Å; L316-F334 CarbonylContact C-O 3.58Å; L316-F334 WeakPolarHBondContact CA-O 3.19Å; L316-E335 HydrophobicContact CD2-CB 4.12Å
317	I	98.4	Very high	95.6	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.015	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	118.5	164.3	-48.3	-54.1	0	0	0	106.6	A221 P223 I259 F300 I315 V319 C333 F334 A336	A221-I317 HydrophobicContact CB-CG2 4.45Å; P223-I317 HydrophobicContact CB-CD1 4.03Å; I259-I317 HydrophobicContact CD1-CD1 4.01Å; I259-I317 HydrophobicContact CD1-CG2 4.02Å; F300-I317 HydrophobicContact CE1-CD1 3.78Å; F300-I317 HydrophobicContact CE1-CG1 4.06Å; F300-I317 HydrophobicContact CZ-CG1 4.41Å; I315-I317 HydrophobicContact CD1-CD1 3.79Å; I315-I317 HydrophobicContact CG1-CD1 4.49Å; I317-V319 HydrophobicContact CG2-CG2 4.11Å; I317-C333 WeakPolarHBondContact O-CA 3.46Å; I317-F334 HydrophobicContact CB-CD1 4.43Å; I317-F334 HydrophobicContact CB-CD2 4.28Å; I317-F334 HydrophobicContact CB-CE1 3.96Å; I317-F334 HydrophobicContact CB-CE2 3.78Å; I317-F334 HydrophobicContact CB-CZ 3.6Å; I317-F334 HydrophobicContact CG1-CD2 4.26Å; I317-F334 HydrophobicContact CG1-CE2 3.62Å; I317-F334 HydrophobicContact CG1-CZ 3.86Å; I317-F334 HydrophobicContact CG2-CE1 4.13Å; I317-F334 HydrophobicContact CG2-CE2 4.46Å; I317-F334 HydrophobicContact CG2-CZ 3.83Å; I317-F334 PolarHBondContact N-O 2.89Å; I317-F334 PolarHBondContact O-N 3.2Å; I317-A336 HydrophobicContact CD1-CB 3.95Å; I317-A336 HydrophobicContact CG1-CB 3.67Å
318	I	97.9	Very high	95.7	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.015	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.4	170.9	-57.2	178.9	0	0	0	106.5	P160 A221 M222 V224 T320 R331	P160-I318 HydrophobicContact CB-CD1 4.03Å; P160-I318 HydrophobicContact CG-CD1 3.98Å; A221-I318 WeakPolarHBondContact CA-O 3.42Å; M222-I318 HydrophobicContact CE-CD1 4.42Å; M222-I318 PolarHBondContact N-O 2.62Å; M222-I318 PolarHBondContact O-N 3.22Å; V224-I318 HydrophobicContact CG1-CD1 3.99Å; V224-I318 HydrophobicContact CG2-CD1 3.88Å; V224-I318 HydrophobicContact CG2-CG1 4.13Å; I318-T320 HydrophobicContact CG2-CG2 4.17Å; I318-R331 HydrophobicContact CG2-CG 3.86Å
319	V	98.4	Very high	96	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.3	171.2	-169.2	0	0	0	0	108.2	F171 V173 I207 I219 R220 I317 R331 R332 F334	F171-V319 HydrophobicContact CZ-CG1 3.94Å; V173-V319 HydrophobicContact CG2-CB 4.21Å; V173-V319 HydrophobicContact CG2-CG1 4.24Å; I207-V319 HydrophobicContact CD1-CG1 4.32Å; I219-V319 HydrophobicContact CG2-CG1 3.71Å; R220-V319 CarbonylContact O-C 3.54Å; R220-V319 VanDerWaalsContact O-CA 3.27Å; R220-V319 WeakPolarHBondContact O-CA 2.93Å; I317-V319 HydrophobicContact CG2-CG2 4.11Å; V319-R331 CarbonylContact O-C 3.47Å; V319-R331 WeakPolarHBondContact O-CA 3.25Å; V319-R332 PolarHBondContact N-O 2.98Å; V319-R332 PolarHBondContact O-N 2.93Å; V319-F334 HydrophobicContact CG2-CE1 3.75Å
320	T	98.3	Very high	96.2	Very high	8 Å²	8	49.2 Å²	49.2	5%	0.049	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.9	178.8	37.1	0	0	0	0	111.2	I219 R220 I318 E322 V328 G330 R331	I219-T320 CarbonylContact C-O 3.58Å; I219-T320 WeakPolarHBondContact CA-O 3.43Å; R220-T320 PolarHBondContact N-O 3.06Å; R220-T320 PolarHBondContact O-N 2.91Å; I318-T320 HydrophobicContact CG2-CG2 4.17Å; T320-E322 WeakPolarHBondContact CB-OE1 3.43Å; T320-E322 PolarHBondContact OG1-OE1 3.15Å; T320-V328 HydrophobicContact CG2-CG1 3.92Å; T320-V328 HydrophobicContact CG2-CG2 4.27Å; T320-G330 CarbonylContact C-O 3.53Å; T320-G330 VanDerWaalsContact CA-O 3.25Å; T320-G330 WeakPolarHBondContact CA-O 3.33Å; T320-R331 HydrophobicContact CG2-CB 3.86Å; T320-R331 HydrophobicContact CG2-CG 3.71Å
321	L	98.4	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.3	160.8	172.9	68.8	0	0	0	106.7	H169 F171 V209 P213 A217 V218 I219 Y284 L329 G330	H169-L321 HydrophobicContact CB-CD2 4.18Å; F171-L321 HydrophobicContact CB-CD2 4.31Å; F171-L321 HydrophobicContact CD1-CB 4.5Å; F171-L321 HydrophobicContact CD2-CB 3.56Å; F171-L321 HydrophobicContact CD2-CD2 3.98Å; F171-L321 HydrophobicContact CD2-CG 4.33Å; F171-L321 HydrophobicContact CE2-CB 3.73Å; F171-L321 HydrophobicContact CG-CB 3.95Å; F171-L321 HydrophobicContact CG-CD2 4.42Å; F171-L321 HydrophobicContact CZ-CB 4.3Å; V209-L321 HydrophobicContact CG1-CD2 4.01Å; P213-L321 HydrophobicContact CB-CD1 4.22Å; P213-L321 HydrophobicContact CB-CD2 4.19Å; P213-L321 HydrophobicContact CG-CD1 4.15Å; A217-L321 HydrophobicContact CB-CD1 4.11Å; V218-L321 WeakPolarHBondContact O-CA 3.1Å; I219-L321 HydrophobicContact CD1-CB 4.12Å; I219-L321 HydrophobicContact CD1-CD1 3.57Å; I219-L321 HydrophobicContact CD1-CG 4.45Å; Y284-L321 HydrophobicContact CD2-CD1 4.45Å; L321-L329 HydrophobicContact CD2-CB 4.09Å; L321-L329 HydrophobicContact CG-CB 4.03Å; L321-L329 HydrophobicContact CG-CD1 4.37Å; L321-L329 PolarHBondContact O-N 3.12Å; L321-G330 PolarHBondContact N-O 3.25Å; L321-G330 PolarHBondContact O-N 2.79Å; L321-G330 VanDerWaalsContact O-N 3.16Å
322	E	97.6	Very high	96.4	Very high	11 Å²	11	49.6 Å²	49.6	5%	0.051	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.2	-174.7	-69.3	167.1	-156.4	0	0	111	A217 V218 R220 T320 Q327 V328	A217-E322 CarbonylContact C-O 3.52Å; A217-E322 WeakPolarHBondContact CA-O 3.42Å; A217-E322 WeakPolarHBondContact CB-O 3.46Å; V218-E322 HydrophobicContact CG2-CB 3.88Å; V218-E322 PolarHBondContact N-O 3.19Å; V218-E322 PolarHBondContact O-N 3.13Å; R220-E322 WeakPolarHBondContact CD-OE1 3.03Å; R220-E322 IonicContact CZ-OE1 3.97Å; R220-E322 IonicContact CZ-OE2 2.7Å; R220-E322 VanDerWaalsContact NE-CD 3.29Å; R220-E322 IonicContact NE-OE1 2.78Å; R220-E322 PolarHBondContact NE-OE1 2.91Å; R220-E322 IonicContact NE-OE2 2.69Å; R220-E322 PolarHBondContact NE-OE2 3.31Å; R220-E322 IonicContact NH2-OE2 2.7Å; R220-E322 PolarHBondContact NH2-OE2 3Å; T320-E322 WeakPolarHBondContact CB-OE1 3.43Å; T320-E322 PolarHBondContact OG1-OE1 3.15Å; E322-Q327 CarbonylContact C-O 3.34Å; E322-Q327 VanDerWaalsContact CA-O 3.24Å; E322-Q327 WeakPolarHBondContact CA-O 3.45Å; E322-V328 HydrophobicContact CG-CG2 4.12Å
323	T	96.1	Very high	96.4	Very high	18 Å²	18	40.8 Å²	40.8	11%	0.11	20%	0.202	C	C	.	.			trans	-67.9	166.7	162.5	66.9	0	0	0	0	110.3	D325 G326 Q327 L329	T323-D325 PolarHBondContact O-N 3.1Å; T323-D325 VanDerWaalsContact O-N 3.12Å; T323-D325 PolarHBondContact OG1-N 3.49Å; T323-G326 PolarHBondContact O-N 3.23Å; T323-Q327 HydrophobicContact CG2-CB 4.02Å; T323-Q327 PolarHBondContact N-O 3.38Å; T323-Q327 WeakPolarHBondContact OG1-CB 3.33Å; T323-Q327 PolarHBondContact OG1-N 3.3Å; T323-Q327 VanDerWaalsContact OG1-N 3.09Å; T323-L329 HydrophobicContact CG2-CD1 3.88Å; T323-L329 HydrophobicContact CG2-CD2 3.87Å; T323-L329 HydrophobicContact CG2-CG 3.89Å
324	R	90.6	Very high	96.4	Very high	212 Å²	212	39 Å²	39	80%	0.8	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.9	171.8	-172.5	178.4	-179.7	-173.8	-0.7	113.2	G326	R324-G326 VanDerWaalsContact C-N 3.31Å
325	D	89.5	Confident	96.5	Very high	147 Å²	147	38.1 Å²	38.1	79%	0.786	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	6	-178.2	-43	-55.9	0	0	0	113	T323	T323-D325 PolarHBondContact O-N 3.1Å; T323-D325 VanDerWaalsContact O-N 3.12Å; T323-D325 PolarHBondContact OG1-N 3.49Å
326	G	89.3	Confident	96.5	Very high	37 Å²	37	38.1 Å²	38.1	38%	0.381	19%	0.189	S	C	.	.			trans	84.6	9.6	176.9	0	0	0	0	0	115.5	T323 R324 V328	T323-G326 PolarHBondContact O-N 3.23Å; R324-G326 VanDerWaalsContact C-N 3.31Å; G326-V328 PolarHBondContact O-N 2.67Å
327	Q	94.1	Very high	96.5	Very high	133 Å²	133	40.8 Å²	40.8	62%	0.621	20%	0.197	S	C	*	.			trans	-72.9	122	175.2	-172.3	-175.5	35.1	0	0	110.1	E322 T323 L329	E322-Q327 CarbonylContact C-O 3.34Å; E322-Q327 VanDerWaalsContact CA-O 3.24Å; E322-Q327 WeakPolarHBondContact CA-O 3.45Å; T323-Q327 HydrophobicContact CG2-CB 4.02Å; T323-Q327 PolarHBondContact N-O 3.38Å; T323-Q327 WeakPolarHBondContact OG1-CB 3.33Å; T323-Q327 PolarHBondContact OG1-N 3.3Å; T323-Q327 VanDerWaalsContact OG1-N 3.09Å; Q327-L329 PolarHBondContact O-N 3Å
328	V	96.6	Very high	96.5	Very high	57 Å²	57	40.7 Å²	40.7	35%	0.345	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	112.3	178.6	-179.7	0	0	0	0	110.7	T320 E322 G326 G330 R331	T320-V328 HydrophobicContact CG2-CG1 3.92Å; T320-V328 HydrophobicContact CG2-CG2 4.27Å; E322-V328 HydrophobicContact CG-CG2 4.12Å; G326-V328 PolarHBondContact O-N 2.67Å; V328-G330 WeakPolarHBondContact CG1-O 3.28Å; V328-R331 HydrophobicContact CG1-CB 4.46Å
329	L	97.4	Very high	96.5	Very high	15 Å²	15	41 Å²	41	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-20	173.3	-61	177.9	0	0	0	112.7	G167 P168 P213 P214 L321 T323 Q327	G167-L329 WeakPolarHBondContact CA-O 3.42Å; P168-L329 WeakPolarHBondContact CD-O 3.49Å; P213-L329 HydrophobicContact CB-CD1 4.29Å; P214-L329 HydrophobicContact CG-CD1 4.38Å; L321-L329 HydrophobicContact CD2-CB 4.09Å; L321-L329 HydrophobicContact CG-CB 4.03Å; L321-L329 HydrophobicContact CG-CD1 4.37Å; L321-L329 PolarHBondContact O-N 3.12Å; T323-L329 HydrophobicContact CG2-CD1 3.88Å; T323-L329 HydrophobicContact CG2-CD2 3.87Å; T323-L329 HydrophobicContact CG2-CG 3.89Å; Q327-L329 PolarHBondContact O-N 3Å
330	G	97.9	Very high	96.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	154.7	179.7	0	0	0	0	0	111.8	Y165 T320 L321 V328	Y165-G330 CarbonylContact O-C 3.56Å; Y165-G330 WeakPolarHBondContact O-CA 3.49Å; T320-G330 CarbonylContact C-O 3.53Å; T320-G330 VanDerWaalsContact CA-O 3.25Å; T320-G330 WeakPolarHBondContact CA-O 3.33Å; L321-G330 PolarHBondContact N-O 3.25Å; L321-G330 PolarHBondContact O-N 2.79Å; L321-G330 VanDerWaalsContact O-N 3.16Å; V328-G330 WeakPolarHBondContact CG1-O 3.28Å
331	R	98.3	Very high	96.3	Very high	44 Å²	44	45.6 Å²	45.6	17%	0.166	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	138.4	179.2	-173.1	169	59.7	-149	-2.3	112.5	S161 T163 Y165 I318 V319 T320 V328	S161-R331 WeakPolarHBondContact O-CD 3.47Å; S161-R331 VanDerWaalsContact O-CZ 3.22Å; S161-R331 PolarHBondContact O-NE 3.06Å; S161-R331 PolarHBondContact O-NH1 3Å; S161-R331 VanDerWaalsContact O-NH1 3.15Å; S161-R331 PolarHBondContact OG-NH2 3.34Å; T163-R331 VanDerWaalsContact O-CZ 3.22Å; T163-R331 PolarHBondContact O-NE 2.69Å; T163-R331 PolarHBondContact O-NH2 2.8Å; Y165-R331 CarbonylContact C-O 3.56Å; Y165-R331 PolarHBondContact N-O 3.3Å; Y165-R331 PolarHBondContact O-N 3.13Å; Y165-R331 VanDerWaalsContact O-O 3.05Å; I318-R331 HydrophobicContact CG2-CG 3.86Å; V319-R331 CarbonylContact O-C 3.47Å; V319-R331 WeakPolarHBondContact O-CA 3.25Å; T320-R331 HydrophobicContact CG2-CB 3.86Å; T320-R331 HydrophobicContact CG2-CG 3.71Å; V328-R331 HydrophobicContact CG1-CB 4.46Å
332	R	98	Very high	96.3	Very high	45 Å²	45	45.6 Å²	45.6	17%	0.17	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.1	167.1	-75.7	-64	-175.2	-84	-7.2	111.2	D164 Y165 A166 F171 D172 V173 V319	D164-R332 WeakPolarHBondContact OD1-CA 3.14Å; Y165-R332 VanDerWaalsContact C-NH1 3.32Å; Y165-R332 PolarHBondContact O-NH1 3.4Å; A166-R332 VanDerWaalsContact CA-NH1 3.33Å; A166-R332 VanDerWaalsContact N-NH1 3.19Å; F171-R332 HydrophobicContact CD1-CG 4.17Å; F171-R332 HydrophobicContact CE1-CB 4.2Å; F171-R332 HydrophobicContact CE1-CG 4.18Å; F171-R332 PolarHBondContact O-NH1 3.09Å; F171-R332 PolarHBondContact O-NH2 3.2Å; D172-R332 IonicContact OD1-CZ 2.67Å; D172-R332 IonicContact OD1-NE 3.33Å; D172-R332 PolarHBondContact OD1-NE 2.78Å; D172-R332 IonicContact OD1-NH2 2.66Å; D172-R332 PolarHBondContact OD1-NH2 3.38Å; D172-R332 VanDerWaalsContact OD1-NH2 3.11Å; V173-R332 HydrophobicContact CB-CB 4.03Å; V173-R332 HydrophobicContact CB-CG 4.28Å; V173-R332 HydrophobicContact CG2-CB 3.75Å; V173-R332 HydrophobicContact CG2-CG 4.11Å; V319-R332 PolarHBondContact N-O 2.98Å; V319-R332 PolarHBondContact O-N 2.93Å
333	C	97.1	Very high	96.3	Very high	18 Å²	18	45.3 Å²	45.3	12%	0.122	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.2	-179.7	-62.1	0	0	0	0	110.7	N162 D164 I317	N162-C333 PolarHBondContact O-SG 3.37Å; D164-C333 PolarHBondContact OD1-N 2.73Å; I317-C333 WeakPolarHBondContact O-CA 3.46Å
334	F	97.8	Very high	96.4	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.1	173.5	62.6	-92.6	0	0	0	110.9	V173 F175 Y188 L195 I205 L316 I317 V319 A336	V173-F334 HydrophobicContact CG1-CE1 4.38Å; F175-F334 HydrophobicContact CE1-CE2 4.46Å; F175-F334 HydrophobicContact CE1-CZ 4.45Å; F175-F334 HydrophobicContact CE2-CD1 4.42Å; F175-F334 HydrophobicContact CE2-CG 4.45Å; F175-F334 AromaticContact CZ-CD1 3.88Å; F175-F334 HydrophobicContact CZ-CD1 3.88Å; F175-F334 AromaticContact CZ-CD2 3.99Å; F175-F334 HydrophobicContact CZ-CD2 3.99Å; F175-F334 AromaticContact CZ-CE1 3.9Å; F175-F334 HydrophobicContact CZ-CE1 3.9Å; F175-F334 HydrophobicContact CZ-CE2 4.02Å; F175-F334 AromaticContact CZ-CG 3.93Å; F175-F334 HydrophobicContact CZ-CG 3.93Å; F175-F334 AromaticContact CZ-CZ 3.98Å; F175-F334 HydrophobicContact CZ-CZ 3.98Å; Y188-F334 HydrophobicContact CE2-CB 4.38Å; L195-F334 HydrophobicContact CB-CD2 3.98Å; L195-F334 HydrophobicContact CB-CE2 3.94Å; L195-F334 HydrophobicContact CD2-CE2 3.88Å; I205-F334 HydrophobicContact CD1-CE1 4.24Å; I205-F334 HydrophobicContact CD1-CE2 4.44Å; I205-F334 HydrophobicContact CD1-CZ 3.62Å; L316-F334 CarbonylContact C-O 3.58Å; L316-F334 WeakPolarHBondContact CA-O 3.19Å; I317-F334 HydrophobicContact CB-CD1 4.43Å; I317-F334 HydrophobicContact CB-CD2 4.28Å; I317-F334 HydrophobicContact CB-CE1 3.96Å; I317-F334 HydrophobicContact CB-CE2 3.78Å; I317-F334 HydrophobicContact CB-CZ 3.6Å; I317-F334 HydrophobicContact CG1-CD2 4.26Å; I317-F334 HydrophobicContact CG1-CE2 3.62Å; I317-F334 HydrophobicContact CG1-CZ 3.86Å; I317-F334 HydrophobicContact CG2-CE1 4.13Å; I317-F334 HydrophobicContact CG2-CE2 4.46Å; I317-F334 HydrophobicContact CG2-CZ 3.83Å; I317-F334 PolarHBondContact N-O 2.89Å; I317-F334 PolarHBondContact O-N 3.2Å; V319-F334 HydrophobicContact CG2-CE1 3.75Å; F334-A336 HydrophobicContact CE2-CB 4.47Å
335	E	97.9	Very high	96.7	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	141.5	174.6	-174.1	174.5	142.4	0	0	110.2	K193 K194 L195 K226 I315 L316	K193-E335 PolarHBondContact O-N 3.1Å; K194-E335 CarbonylContact C-O 3.56Å; K194-E335 VanDerWaalsContact CA-O 3.28Å; K194-E335 WeakPolarHBondContact CA-O 3.46Å; K194-E335 HydrophobicContact CB-CB 4.14Å; K194-E335 HydrophobicContact CD-CB 4.13Å; K194-E335 HydrophobicContact CD-CG 3.87Å; K194-E335 WeakPolarHBondContact CD-OE1 3.32Å; K194-E335 WeakPolarHBondContact CE-OE1 3.48Å; K194-E335 HydrophobicContact CG-CB 3.88Å; K194-E335 HydrophobicContact CG-CG 4.01Å; K194-E335 IonicContact NZ-OE1 3.1Å; K194-E335 PolarHBondContact NZ-OE1 3.31Å; L195-E335 PolarHBondContact N-O 2.83Å; K226-E335 HydrophobicContact CD-CG 4.5Å; K226-E335 VanDerWaalsContact CD-OE2 3.23Å; K226-E335 WeakPolarHBondContact CD-OE2 3.48Å; K226-E335 WeakPolarHBondContact CE-OE2 3.36Å; K226-E335 IonicContact NZ-OE2 2.87Å; K226-E335 PolarHBondContact NZ-OE2 3.41Å; I315-E335 WeakPolarHBondContact O-CA 3.32Å; I315-E335 WeakPolarHBondContact O-CG 3.47Å; L316-E335 HydrophobicContact CD2-CB 4.12Å
336	A	98.4	Very high	97	Very high	2 Å²	2	37 Å²	37	2%	0.017	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	137.3	174.8	0	0	0	0	0	112	L195 I315 I317 F334 I338	L195-A336 CarbonylContact O-C 3.44Å; L195-A336 WeakPolarHBondContact O-CA 3.4Å; I315-A336 HydrophobicContact CD1-CB 4.21Å; I315-A336 HydrophobicContact CG1-CB 4.18Å; I315-A336 WeakPolarHBondContact CG1-O 3.39Å; I315-A336 PolarHBondContact O-N 3.04Å; I317-A336 HydrophobicContact CD1-CB 3.95Å; I317-A336 HydrophobicContact CG1-CB 3.67Å; F334-A336 HydrophobicContact CE2-CB 4.47Å; A336-I338 HydrophobicContact CB-CD1 4.47Å
337	R	98.2	Very high	97.4	Very high	74 Å²	74	41 Å²	41	28%	0.279	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	97.9	175	-179.4	170.5	170.7	164.7	1.2	110.1	L195 Y196 C197 C339 D345 D349	L195-R337 PolarHBondContact O-N 3.45Å; Y196-R337 WeakPolarHBondContact CA-O 3.45Å; Y196-R337 HydrophobicContact CD1-CB 4.08Å; Y196-R337 HydrophobicContact CD1-CG 4.23Å; Y196-R337 HydrophobicContact CE1-CB 4.33Å; Y196-R337 HydrophobicContact CE1-CG 4.46Å; C197-R337 PolarHBondContact N-O 2.97Å; C197-R337 VanDerWaalsContact N-O 3.15Å; R337-C339 HydrophobicContact CG-CB 4.34Å; R337-C339 PolarHBondContact O-N 3.03Å; R337-D345 IonicContact CZ-OD2 2.62Å; R337-D345 VanDerWaalsContact CZ-OD2 3.27Å; R337-D345 IonicContact NE-OD2 3.46Å; R337-D345 PolarHBondContact NE-OD2 2.85Å; R337-D345 VanDerWaalsContact NE-OD2 3.12Å; R337-D345 IonicContact NH2-OD2 3.74Å; R337-D345 PolarHBondContact NH2-OD2 2.83Å; R337-D349 IonicContact CZ-OD1 3.95Å; R337-D349 IonicContact CZ-OD2 2.77Å; R337-D349 IonicContact NH1-OD1 2.73Å; R337-D349 PolarHBondContact NH1-OD1 2.87Å; R337-D349 IonicContact NH1-OD2 3.2Å; R337-D349 PolarHBondContact NH1-OD2 3.16Å
338	I	98.6	Very high	97.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	115.2	171.1	-49.7	68.3	0	0	0	108.2	C197 I199 F300 C302 S304 M310 I315 A336	C197-I338 CarbonylContact O-C 3.59Å; C197-I338 VanDerWaalsContact O-CA 3.23Å; C197-I338 WeakPolarHBondContact O-CA 3.42Å; I199-I338 HydrophobicContact CB-CG2 4.01Å; F300-I338 HydrophobicContact CB-CD1 4.14Å; F300-I338 HydrophobicContact CB-CG1 3.42Å; F300-I338 VanDerWaalsContact CB-CG1 3.42Å; F300-I338 HydrophobicContact CD1-CD1 4.26Å; F300-I338 HydrophobicContact CD1-CG1 4.42Å; F300-I338 HydrophobicContact CG-CD1 4.34Å; F300-I338 HydrophobicContact CG-CG1 4.03Å; C302-I338 WeakPolarHBondContact O-CB 3.36Å; C302-I338 WeakPolarHBondContact O-CG1 3.48Å; C302-I338 WeakPolarHBondContact O-CG2 3.39Å; S304-I338 WeakPolarHBondContact CB-O 3.46Å; S304-I338 PolarHBondContact N-O 2.8Å; S304-I338 PolarHBondContact OG-N 2.91Å; S304-I338 PolarHBondContact OG-O 3.43Å; M310-I338 HydrophobicContact CE-CD1 4.12Å; M310-I338 HydrophobicContact SD-CD1 4.39Å; I315-I338 HydrophobicContact CD1-CD1 4.12Å; A336-I338 HydrophobicContact CB-CD1 4.47Å
339	C	98	Very high	97.4	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.074	18%	0.182	C	C	.	.			trans	-152.8	160.2	-176	67.3	0	0	0	0	112.8	C197 Q198 R337 C341	C197-C339 PolarHBondContact O-N 2.86Å; C197-C339 VanDerWaalsContact O-O 3.07Å; Q198-C339 WeakPolarHBondContact CA-O 3.44Å; R337-C339 HydrophobicContact CG-CB 4.34Å; R337-C339 PolarHBondContact O-N 3.03Å; C339-C341 VanDerWaalsContact C-N 3.33Å; C339-C341 PolarHBondContact O-N 3.12Å
340	A	96.9	Very high	97.3	Very high	69 Å²	69	36.3 Å²	36.3	57%	0.57	18%	0.183	S	C	*	.	S	Bend	trans	-69.4	-24.2	-176.4	0	0	0	0	0	114.8	Q198	Q198-A340 PolarHBondContact NE2-O 2.86Å
341	C	96.6	Very high	97.2	Very high	36 Å²	36	38.7 Å²	38.7	24%	0.243	20%	0.196	C	C	.	.			trans	-134.6	74.7	-174.9	-58.9	0	0	0	0	111.8	C339 G343 R344 D345	C339-C341 VanDerWaalsContact C-N 3.33Å; C339-C341 PolarHBondContact O-N 3.12Å; C341-G343 PolarHBondContact O-N 2.8Å; C341-R344 HydrophobicContact CB-CB 4.02Å; C341-R344 PolarHBondContact O-N 2.89Å; C341-D345 PolarHBondContact O-N 2.85Å; C341-D345 VanDerWaalsContact O-N 3.08Å
342	P	97.8	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-50.6	-52.2	-174	-31.8	38.2	0	0	0	114.6	A184 T187 Q198 R344 D345 R346	A184-P342 WeakPolarHBondContact O-CD 3.47Å; T187-P342 HydrophobicContact CG2-CB 3.97Å; Q198-P342 HydrophobicContact CG-CG 3.92Å; P342-R344 VanDerWaalsContact C-N 3.32Å; P342-R344 PolarHBondContact O-N 2.7Å; P342-D345 PolarHBondContact O-N 3.03Å; P342-R346 VanDerWaalsContact O-CB 3.29Å; P342-R346 WeakPolarHBondContact O-CB 3.27Å; P342-R346 PolarHBondContact O-N 2.91Å
343	G	97.3	Very high	96.6	Very high	4 Å²	4	40.3 Å²	40.3	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-61.8	-34.4	-178.4	0	0	0	0	0	114.6	T180 C341 K347	T180-G343 WeakPolarHBondContact O-CA 3.25Å; C341-G343 PolarHBondContact O-N 2.8Å; G343-K347 WeakPolarHBondContact O-CB 3.47Å; G343-K347 PolarHBondContact O-N 2.83Å; G343-K347 VanDerWaalsContact O-N 3.13Å
344	R	97.2	Very high	96.2	Very high	156 Å²	156	44.9 Å²	44.9	59%	0.589	23%	0.229	S	C	*	.	H	α-helix	trans	-69.8	-50.1	175.6	-178.7	-160.8	66.9	-166	-2.5	110.9	C341 P342 R346 K347 A348	C341-R344 HydrophobicContact CB-CB 4.02Å; C341-R344 PolarHBondContact O-N 2.89Å; P342-R344 VanDerWaalsContact C-N 3.32Å; P342-R344 PolarHBondContact O-N 2.7Å; R344-R346 VanDerWaalsContact C-N 3.33Å; R344-K347 PolarHBondContact O-N 3.4Å; R344-A348 WeakPolarHBondContact O-CB 3.49Å; R344-A348 PolarHBondContact O-N 2.78Å
345	D	97.4	Very high	95.8	Very high	13 Å²	13	51 Å²	51	7%	0.07	26%	0.256	C	S	.	.	H	α-helix	trans	-67	-36.9	-176.9	-78.6	28.8	0	0	0	111.1	Y196 R337 C341 P342 A348 D349	Y196-D345 HydrophobicContact CD1-CB 3.92Å; Y196-D345 HydrophobicContact CE1-CB 4.12Å; R337-D345 IonicContact CZ-OD2 2.62Å; R337-D345 VanDerWaalsContact CZ-OD2 3.27Å; R337-D345 IonicContact NE-OD2 3.46Å; R337-D345 PolarHBondContact NE-OD2 2.85Å; R337-D345 VanDerWaalsContact NE-OD2 3.12Å; R337-D345 IonicContact NH2-OD2 3.74Å; R337-D345 PolarHBondContact NH2-OD2 2.83Å; C341-D345 PolarHBondContact O-N 2.85Å; C341-D345 VanDerWaalsContact O-N 3.08Å; P342-D345 PolarHBondContact O-N 3.03Å; D345-A348 PolarHBondContact O-N 2.76Å; D345-D349 PolarHBondContact O-N 2.87Å
346	R	97.2	Very high	94.8	Very high	34 Å²	34	55.2 Å²	55.2	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-55.8	169.6	176.4	176.1	167.8	-173.6	3.7	111.6	T187 Y188 Y196 P342 R344 A348 D349 E350	T187-R346 HydrophobicContact CG2-CB 3.97Å; T187-R346 HydrophobicContact CG2-CG 4.37Å; T187-R346 PolarHBondContact OG1-NH1 2.69Å; Y188-R346 PolarHBondContact O-NH1 2.8Å; Y196-R346 HydrophobicContact CD1-CB 4.21Å; Y196-R346 HydrophobicContact CD2-CB 3.72Å; Y196-R346 HydrophobicContact CD2-CG 4.1Å; Y196-R346 HydrophobicContact CE1-CB 4.26Å; Y196-R346 HydrophobicContact CE2-CB 3.81Å; Y196-R346 HydrophobicContact CE2-CG 3.96Å; Y196-R346 HydrophobicContact CG-CB 3.95Å; P342-R346 VanDerWaalsContact O-CB 3.29Å; P342-R346 WeakPolarHBondContact O-CB 3.27Å; P342-R346 PolarHBondContact O-N 2.91Å; R344-R346 VanDerWaalsContact C-N 3.33Å; R346-A348 VanDerWaalsContact C-N 3.28Å; R346-A348 PolarHBondContact O-N 2.88Å; R346-D349 PolarHBondContact O-N 2.85Å; R346-E350 HydrophobicContact CG-CG 4.41Å; R346-E350 WeakPolarHBondContact CG-OE1 3.34Å; R346-E350 IonicContact CZ-OE1 2.76Å; R346-E350 IonicContact NE-OE1 2.81Å; R346-E350 PolarHBondContact NE-OE1 3Å; R346-E350 IonicContact NH2-OE1 2.75Å; R346-E350 PolarHBondContact NH2-OE1 3.38Å; R346-E350 VanDerWaalsContact NH2-OE1 3.1Å; R346-E350 WeakPolarHBondContact O-CB 3.36Å; R346-E350 WeakPolarHBondContact O-CG 3.43Å; R346-E350 PolarHBondContact O-N 3.3Å
347	K	95.8	Very high	93.5	Very high	122 Å²	122	61.8 Å²	61.8	53%	0.53	31%	0.305	S	S	.	.	H	α-helix	trans	-59.5	-39.8	-179.2	-179.3	171.8	-179.8	175.4	0	112.1	G343 R344 D351	G343-K347 WeakPolarHBondContact O-CB 3.47Å; G343-K347 PolarHBondContact O-N 2.83Å; G343-K347 VanDerWaalsContact O-N 3.13Å; R344-K347 PolarHBondContact O-N 3.4Å; K347-D351 WeakPolarHBondContact CE-OD2 3.28Å; K347-D351 VanDerWaalsContact O-CB 3.25Å; K347-D351 WeakPolarHBondContact O-CB 3.34Å; K347-D351 VanDerWaalsContact O-CG 3.28Å; K347-D351 PolarHBondContact O-N 2.94Å
348	A	96	Very high	92	Very high	52 Å²	52	63.2 Å²	63.2	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-65.8	-44	179.1	0	0	0	0	0	112.8	R344 D345 R346 S352	R344-A348 WeakPolarHBondContact O-CB 3.49Å; R344-A348 PolarHBondContact O-N 2.78Å; D345-A348 PolarHBondContact O-N 2.76Å; R346-A348 VanDerWaalsContact C-N 3.28Å; R346-A348 PolarHBondContact O-N 2.88Å; A348-S352 WeakPolarHBondContact O-CB 3.27Å; A348-S352 PolarHBondContact O-N 3.29Å
349	D	95.9	Very high	90.1	Very high	34 Å²	34	66.5 Å²	66.5	18%	0.182	34%	0.342	C	S	.	.	H	α-helix	trans	-67.8	-40.8	177	-71.9	2.5	0	0	0	110.8	L192 K194 Y196 R337 D345 R346 S352 I353	L192-D349 HydrophobicContact CD1-CB 3.79Å; K194-D349 IonicContact NZ-OD2 3.55Å; K194-D349 PolarHBondContact NZ-OD2 3.13Å; Y196-D349 WeakPolarHBondContact CE1-OD2 3.45Å; Y196-D349 WeakPolarHBondContact OH-CB 3.29Å; Y196-D349 PolarHBondContact OH-OD2 2.85Å; R337-D349 IonicContact CZ-OD1 3.95Å; R337-D349 IonicContact CZ-OD2 2.77Å; R337-D349 IonicContact NH1-OD1 2.73Å; R337-D349 PolarHBondContact NH1-OD1 2.87Å; R337-D349 IonicContact NH1-OD2 3.2Å; R337-D349 PolarHBondContact NH1-OD2 3.16Å; D345-D349 PolarHBondContact O-N 2.87Å; R346-D349 PolarHBondContact O-N 2.85Å; D349-S352 WeakPolarHBondContact O-CB 3.19Å; D349-S352 PolarHBondContact O-N 3.03Å; D349-I353 PolarHBondContact O-N 2.91Å
350	E	95.6	Very high	87.7	Confident	20 Å²	20	71.1 Å²	71.1	9%	0.093	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-44.7	174.5	-73.6	176.9	-179.8	0	0	112.5	S189 L192 R346 S352 I353 R354	S189-E350 VanDerWaalsContact CB-OE1 3.32Å; S189-E350 WeakPolarHBondContact CB-OE1 3.34Å; S189-E350 PolarHBondContact OG-OE1 3.08Å; L192-E350 HydrophobicContact CD1-CG 3.82Å; L192-E350 HydrophobicContact CG-CG 4.13Å; R346-E350 HydrophobicContact CG-CG 4.41Å; R346-E350 WeakPolarHBondContact CG-OE1 3.34Å; R346-E350 IonicContact CZ-OE1 2.76Å; R346-E350 IonicContact NE-OE1 2.81Å; R346-E350 PolarHBondContact NE-OE1 3Å; R346-E350 IonicContact NH2-OE1 2.75Å; R346-E350 PolarHBondContact NH2-OE1 3.38Å; R346-E350 VanDerWaalsContact NH2-OE1 3.1Å; R346-E350 WeakPolarHBondContact O-CB 3.36Å; R346-E350 WeakPolarHBondContact O-CG 3.43Å; R346-E350 PolarHBondContact O-N 3.3Å; E350-S352 VanDerWaalsContact C-N 3.26Å; E350-S352 PolarHBondContact O-N 3.32Å; E350-I353 PolarHBondContact O-N 2.91Å; E350-R354 PolarHBondContact O-N 3.26Å; E350-R354 IonicContact OE2-NH1 2.82Å; E350-R354 IonicContact OE2-NH2 2.71Å
351	D	94.9	Very high	85.4	Confident	50 Å²	50	74.5 Å²	74.5	27%	0.267	38%	0.375	S	S	.	.	H	α-helix	trans	-63.4	-31.5	175	-79.2	-21.2	0	0	0	111.9	K347 R354 K355	K347-D351 WeakPolarHBondContact CE-OD2 3.28Å; K347-D351 VanDerWaalsContact O-CB 3.25Å; K347-D351 WeakPolarHBondContact O-CB 3.34Å; K347-D351 VanDerWaalsContact O-CG 3.28Å; K347-D351 PolarHBondContact O-N 2.94Å; D351-R354 IonicContact OD1-CZ 3.42Å; D351-R354 IonicContact OD1-NE 3.95Å; D351-R354 PolarHBondContact OD1-NE 2.73Å; D351-R354 IonicContact OD1-NH2 3.22Å; D351-R354 PolarHBondContact OD1-NH2 2.85Å; D351-K355 WeakPolarHBondContact O-CB 3.47Å; D351-K355 WeakPolarHBondContact O-CD 3.33Å; D351-K355 VanDerWaalsContact O-CG 3.23Å; D351-K355 WeakPolarHBondContact O-CG 3.49Å; D351-K355 PolarHBondContact O-N 2.77Å
352	S	93.4	Very high	83.1	Confident	55 Å²	55	77 Å²	77	39%	0.385	39%	0.393	S	S	.	.	H	α-helix	trans	-65.6	-43.9	175.7	-171.4	0	0	0	0	111.6	A348 D349 E350 K355 Q356	A348-S352 WeakPolarHBondContact O-CB 3.27Å; A348-S352 PolarHBondContact O-N 3.29Å; D349-S352 WeakPolarHBondContact O-CB 3.19Å; D349-S352 PolarHBondContact O-N 3.03Å; E350-S352 VanDerWaalsContact C-N 3.26Å; E350-S352 PolarHBondContact O-N 3.32Å; S352-K355 PolarHBondContact O-N 2.72Å; S352-Q356 WeakPolarHBondContact O-CG 3.34Å; S352-Q356 PolarHBondContact O-N 3.1Å
353	I	89.9	Confident	80.5	Confident	67 Å²	67	84.6 Å²	84.6	34%	0.344	43%	0.426	S	S	.	.	H	α-helix	trans	-73	-41.6	-179.7	-79.9	161.5	0	0	0	111	L192 D349 E350 K355 Q356 H357	L192-I353 HydrophobicContact CD2-CD1 3.28Å; L192-I353 HydrophobicContact CD2-CG1 4.45Å; D349-I353 PolarHBondContact O-N 2.91Å; E350-I353 PolarHBondContact O-N 2.91Å; I353-K355 VanDerWaalsContact C-N 3.25Å; I353-K355 PolarHBondContact O-N 2.73Å; I353-Q356 PolarHBondContact O-N 3.45Å; I353-Q356 VanDerWaalsContact O-N 3.12Å; I353-H357 PolarHBondContact O-CD2 2.96Å; I353-H357 VanDerWaalsContact O-CD2 3.24Å; I353-H357 PolarHBondContact O-N 2.84Å; I353-H357 VanDerWaalsContact O-N 3.11Å
354	R	90.3	Very high	78.1	Confident	114 Å²	114	90 Å²	90	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-53.3	-42.1	169.8	-76.3	-170.4	-77.3	-94.7	1.5	112.4	E350 D351 V358	E350-R354 PolarHBondContact O-N 3.26Å; E350-R354 IonicContact OE2-NH1 2.82Å; E350-R354 IonicContact OE2-NH2 2.71Å; D351-R354 IonicContact OD1-CZ 3.42Å; D351-R354 IonicContact OD1-NE 3.95Å; D351-R354 PolarHBondContact OD1-NE 2.73Å; D351-R354 IonicContact OD1-NH2 3.22Å; D351-R354 PolarHBondContact OD1-NH2 2.85Å; R354-V358 WeakPolarHBondContact O-CG2 3.3Å; R354-V358 PolarHBondContact O-N 2.81Å
355	K	87.8	Confident	75.8	Confident	136 Å²	136	88 Å²	88	59%	0.591	47%	0.472	S	S	*	.	H	α-helix	trans	-70.1	-38.1	177.4	-74.5	170.5	-174.1	174.5	0	113.2	D351 S352 I353 V358 T359	D351-K355 WeakPolarHBondContact O-CB 3.47Å; D351-K355 WeakPolarHBondContact O-CD 3.33Å; D351-K355 VanDerWaalsContact O-CG 3.23Å; D351-K355 WeakPolarHBondContact O-CG 3.49Å; D351-K355 PolarHBondContact O-N 2.77Å; S352-K355 PolarHBondContact O-N 2.72Å; I353-K355 VanDerWaalsContact C-N 3.25Å; I353-K355 PolarHBondContact O-N 2.73Å; K355-V358 PolarHBondContact O-N 2.76Å; K355-T359 WeakPolarHBondContact O-CG2 3.42Å; K355-T359 PolarHBondContact O-N 3.22Å; K355-T359 PolarHBondContact O-OG1 3.45Å
356	Q	77.4	Confident	73	Confident	110 Å²	110	94.5 Å²	94.5	51%	0.514	51%	0.507	S	S	.	.	H	α-helix	trans	-59	-49.7	176.6	-77.1	169.3	-3.8	0	0	111	S352 I353 V358 T359 D360	S352-Q356 WeakPolarHBondContact O-CG 3.34Å; S352-Q356 PolarHBondContact O-N 3.1Å; I353-Q356 PolarHBondContact O-N 3.45Å; I353-Q356 VanDerWaalsContact O-N 3.12Å; Q356-V358 PolarHBondContact O-N 3.25Å; Q356-T359 PolarHBondContact O-N 3.27Å; Q356-T359 VanDerWaalsContact O-N 3.1Å; Q356-T359 PolarHBondContact O-OG1 3.3Å; Q356-T359 VanDerWaalsContact O-OG1 3.13Å; Q356-D360 PolarHBondContact O-N 2.88Å
357	H	70.3	Confident	70.4	Confident	139 Å²	139	96.1 Å²	96.1	64%	0.644	54%	0.535	S	S	*	.	H	α-helix	trans	-56.9	-32.2	175.1	-76.1	-75.9	0	0	0	113.7	I353 N361	I353-H357 PolarHBondContact O-CD2 2.96Å; I353-H357 VanDerWaalsContact O-CD2 3.24Å; I353-H357 PolarHBondContact O-N 2.84Å; I353-H357 VanDerWaalsContact O-N 3.11Å; H357-N361 PolarHBondContact O-OD1 3.15Å
358	V	67.3	Low	68.1	Low	104 Å²	104	95.8 Å²	95.8	63%	0.63	54%	0.543	S	S	*	.	H	α-helix	trans	-81.4	-30.9	177.2	175	0	0	0	0	112.8	R354 K355 Q356	R354-V358 WeakPolarHBondContact O-CG2 3.3Å; R354-V358 PolarHBondContact O-N 2.81Å; K355-V358 PolarHBondContact O-N 2.76Å; Q356-V358 PolarHBondContact O-N 3.25Å
359	T	58.1	Low	65.4	Low	70 Å²	70	102.5 Å²	102.5	43%	0.429	56%	0.562	S	S	.	*	H	α-helix	trans	-83.5	-17.4	-174.7	50.1	0	0	0	0	115.6	K355 Q356 S362	K355-T359 WeakPolarHBondContact O-CG2 3.42Å; K355-T359 PolarHBondContact O-N 3.22Å; K355-T359 PolarHBondContact O-OG1 3.45Å; Q356-T359 PolarHBondContact O-N 3.27Å; Q356-T359 VanDerWaalsContact O-N 3.1Å; Q356-T359 PolarHBondContact O-OG1 3.3Å; Q356-T359 VanDerWaalsContact O-OG1 3.13Å; T359-S362 PolarHBondContact O-OG 3.34Å
360	D	48.7	Very low	62.9	Low	108 Å²	108	110.7 Å²	110.7	58%	0.578	59%	0.591	S	S	*	*	H	α-helix	trans	-83.8	-24.2	171.5	-73.2	-33.1	0	0	0	112.3	Q356 S362 K363	Q356-D360 PolarHBondContact O-N 2.88Å; D360-S362 VanDerWaalsContact C-N 3.27Å; D360-S362 PolarHBondContact O-N 3.46Å; D360-K363 IonicContact OD1-NZ 3.94Å; D360-K363 PolarHBondContact OD1-NZ 3.08Å
361	N	48.1	Very low	60.1	Low	141 Å²	141	116 Å²	116	75%	0.754	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-15.1	173.3	-72.8	33.3	0	0	0	114.3	H357	H357-N361 PolarHBondContact O-OD1 3.15Å
362	S	47.9	Very low	56.9	Low	88 Å²	88	120.1 Å²	120.1	62%	0.615	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	5.8	-174.7	57.1	0	0	0	0	115.4	T359 D360	T359-S362 PolarHBondContact O-OG 3.34Å; D360-S362 VanDerWaalsContact C-N 3.27Å; D360-S362 PolarHBondContact O-N 3.46Å
363	K	44.4	Very low	54	Low	160 Å²	160	129.4 Å²	129.4	70%	0.696	67%	0.666	S	S	*	*	S	Bend	trans	-92.2	13.5	-179.5	-71.8	175.1	-167.5	146.6	0	115.2	D360	D360-K363 IonicContact OD1-NZ 3.94Å; D360-K363 PolarHBondContact OD1-NZ 3.08Å
364	S	47.5	Very low	51.1	Low	116 Å²	116	131.5 Å²	131.5	81%	0.811	67%	0.674	S	S	*	*	S	Bend	trans	-128.3	46.4	179.7	-170.5	0	0	0	0	114.2
365	S	46.9	Very low	48	Very low	114 Å²	114	133.8 Å²	133.8	80%	0.797	69%	0.693	S	S	*	*	S	Bend	trans	-177.5	89.7	153.1	175.7	0	0	0	0	112
366	D	39.1	Very low	45.1	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	69%	0.69	S	S	*	*				-173.9	143.4	118.2	-168.3	11.1	0	0	0	109.5
367	G	42.6	Very low	42.9	Very low	68 Å²	68	134 Å²	134	70%	0.701	71%	0.705	S	S	*	*			trans	-137	53.1	-164	0	0	0	0	0	114.9
368	T	47	Very low	40.6	Very low	114 Å²	114	132 Å²	132	70%	0.699	71%	0.707	S	S	*	*			trans	-155.9	131.9	161.1	3.6	0	0	0	0	110
369	K	39.9	Very low	39	Very low	194 Å²	194	135.3 Å²	135.3	84%	0.843	72%	0.719	S	S	*	*			cis	-144	153.7	19.8	-62.8	168.1	-178.7	172.2	0	110.7
370	R	43.4	Very low	37.5	Very low	206 Å²	206	139.8 Å²	139.8	78%	0.777	74%	0.735	S	S	*	*			trans	-85.3	162	164.5	-63.3	-175.8	178.9	174.5	0.3	110.6
371	P	36.7	Very low	36.4	Very low	130 Å²	130	142.2 Å²	142.2	84%	0.844	75%	0.745	S	S	*	*				-131.2	116.4	82.2	34.5	-22.5	0	0	0	111.6
372	Y	28.9	Very low	35.4	Very low	138 Å²	138	140.6 Å²	140.6	54%	0.541	74%	0.744	S	S	.	*				45.9	103.6	81.9	-161.6	-88.3	0	0	0	116.2	Q374	Y372-Q374 HydrophobicContact CD2-CG 4.17Å; Y372-Q374 HydrophobicContact CE1-CB 4.25Å; Y372-Q374 HydrophobicContact CE2-CB 3.9Å; Y372-Q374 HydrophobicContact CE2-CG 3.43Å; Y372-Q374 VanDerWaalsContact CE2-CG 3.43Å; Y372-Q374 PolarHBondContact OH-OE1 3.43Å; Y372-Q374 VanDerWaalsContact OH-OE1 3.08Å
373	R	31	Very low	34.4	Very low	250 Å²	250	142.3 Å²	142.3	94%	0.943	75%	0.751	S	S	*	*				-135.7	125.8	128.3	-133.1	-177.5	-169.7	-165.4	2.8	108.4
374	Q	30.2	Very low	34	Very low	110 Å²	110	142.7 Å²	142.7	51%	0.514	76%	0.759	S	S	.	*			trans	-99.8	163.7	176.7	-93.7	-170.8	-5.6	0	0	111.8	Y372	Y372-Q374 HydrophobicContact CD2-CG 4.17Å; Y372-Q374 HydrophobicContact CE1-CB 4.25Å; Y372-Q374 HydrophobicContact CE2-CB 3.9Å; Y372-Q374 HydrophobicContact CE2-CG 3.43Å; Y372-Q374 VanDerWaalsContact CE2-CG 3.43Å; Y372-Q374 PolarHBondContact OH-OE1 3.43Å; Y372-Q374 VanDerWaalsContact OH-OE1 3.08Å
375	I	25	Very low	33.4	Very low	162 Å²	162	146.5 Å²	146.5	83%	0.831	76%	0.761	S	S	*	*				-174.4	101.4	129.3	-92.1	150	0	0	0	103.3
376	S	27.2	Very low	32.5	Very low	73 Å²	73	150.4 Å²	150.4	51%	0.51	76%	0.764	S	S	.	*				45.7	123.7	69	67.9	0	0	0	0	112.5
377	Q	30	Very low	32.3	Very low	178 Å²	178	154.9 Å²	154.9	83%	0.832	77%	0.769	S	S	*	*				-153.6	138.8	56.4	-74.6	162.7	9.2	0	0	108.2
378	S	23.7	Very low	31.9	Very low	98 Å²	98	162.4 Å²	162.4	69%	0.685	78%	0.777	S	S	*	*			cis	89.3	107.1	43.8	77.2	0	0	0	0	115.2
379	I	31.9	Very low	31.3	Very low	173 Å²	173	162.1 Å²	162.1	89%	0.887	78%	0.779	S	S	*	*			trans	-131.5	125.1	150.6	-66.7	-176.1	0	0	0	107.7
380	Q	27.4	Very low	31.6	Very low	163 Å²	163	159 Å²	159	76%	0.762	78%	0.777	S	S	*	*			trans	-98.2	174	167.2	-55.5	-170.8	-6.1	0	0	107.8
381	M	26.1	Very low	32	Very low	159 Å²	159	155.4 Å²	155.4	78%	0.783	77%	0.773	S	S	*	*			cis	-155.8	167.7	18.1	-132.4	152.6	78	0	0	105.2
382	S	25.9	Very low	33	Very low	107 Å²	107	158.4 Å²	158.4	75%	0.748	78%	0.775	S	S	*	*				-171.7	149.2	64.5	53	0	0	0	0	111.5
383	T	27.3	Very low	35.3	Very low	125 Å²	125	158.2 Å²	158.2	77%	0.767	78%	0.78	S	S	*	*			trans	-99	123.8	-175.4	45	0	0	0	0	112.8
384	I	35.3	Very low	37.6	Very low	167 Å²	167	152.6 Å²	152.6	86%	0.856	77%	0.773	S	S	*	*			trans	-99.1	108.7	157.2	-63.7	178.2	0	0	0	107.4	K386	I384-K386 PolarHBondContact O-N 2.88Å
385	K	35.3	Very low	40.2	Very low	196 Å²	196	155 Å²	155	85%	0.852	78%	0.782	S	S	*	*			trans	-73.3	90.4	178.4	-68.8	-179.9	178.6	178.5	0	110.3
386	K	29.5	Very low	42.9	Very low	197 Å²	197	153 Å²	153	86%	0.857	78%	0.781	S	S	*	*			trans	-85.8	112	157.4	-150.8	175.1	-173.5	-177.7	0	107.9	I384 R388	I384-K386 PolarHBondContact O-N 2.88Å; K386-R388 PolarHBondContact O-N 2.88Å
387	R	33.8	Very low	45.9	Very low	244 Å²	244	155.6 Å²	155.6	92%	0.921	79%	0.789	S	S	*	*			trans	-52.4	105	-178.8	-175	179.1	-178.2	-179.5	-0.8	109.7
388	R	34.5	Very low	48.7	Very low	227 Å²	227	153 Å²	153	86%	0.857	79%	0.787	S	S	*	*			trans	-64.3	135.7	168	-90.2	-178.2	170.1	168.1	-4.5	108.3	K386	K386-R388 PolarHBondContact O-N 2.88Å
389	S	34.7	Very low	52	Low	108 Å²	108	151.2 Å²	151.2	76%	0.755	77%	0.769	S	S	*	*			trans	-63.3	130	160.1	38.5	0	0	0	0	108.5	D391	S389-D391 VanDerWaalsContact C-N 3.32Å
390	T	46.2	Very low	54.7	Low	129 Å²	129	152.4 Å²	152.4	79%	0.791	77%	0.768	S	S	*	*			trans	-102.1	44.9	176.2	50.9	0	0	0	0	109.5
391	D	50.5	Low	57.6	Low	129 Å²	129	146.8 Å²	146.8	69%	0.69	75%	0.754	S	S	*	*			trans	-123.7	34.6	-158.3	-152.2	33.8	0	0	0	112.6	S389	S389-D391 VanDerWaalsContact C-N 3.32Å
392	E	58.8	Low	60.5	Low	193 Å²	193	148.8 Å²	148.8	90%	0.902	75%	0.753	S	S	*	*			trans	-127.5	25.6	170.6	-68	-173.1	161.7	0	0	110.8	V394	E392-V394 PolarHBondContact O-N 3.14Å
393	E	76.7	Confident	63.6	Low	135 Å²	135	151.4 Å²	151.4	63%	0.631	75%	0.753	S	S	*	*			trans	-83	106.7	175.8	-165.3	169.6	-167.5	0	0	110	F395	E393-F395 HydrophobicContact CB-CE2 3.91Å; E393-F395 HydrophobicContact CB-CZ 4.08Å; E393-F395 HydrophobicContact CG-CE1 4.06Å; E393-F395 HydrophobicContact CG-CE2 3.8Å; E393-F395 HydrophobicContact CG-CZ 3.52Å; E393-F395 VanDerWaalsContact O-CD2 3.29Å; E393-F395 WeakPolarHBondContact O-CD2 3.37Å; E393-F395 WeakPolarHBondContact O-CE2 3.45Å; E393-F395 WeakPolarHBondContact OE2-CZ 3.41Å
394	V	78.7	Confident	66.5	Low	132 Å²	132	150 Å²	150	80%	0.8	74%	0.74	S	S	*	*			trans	-86.9	112.3	-178.2	-179.3	0	0	0	0	110.3	E392	E392-V394 PolarHBondContact O-N 3.14Å
395	F	84.8	Confident	69.3	Low	160 Å²	160	148.4 Å²	148.4	70%	0.702	72%	0.724	S	S	*	*			trans	-94.1	129.6	175.1	-59.9	-83.7	0	0	0	111.4	E393	E393-F395 HydrophobicContact CB-CE2 3.91Å; E393-F395 HydrophobicContact CB-CZ 4.08Å; E393-F395 HydrophobicContact CG-CE1 4.06Å; E393-F395 HydrophobicContact CG-CE2 3.8Å; E393-F395 HydrophobicContact CG-CZ 3.52Å; E393-F395 VanDerWaalsContact O-CD2 3.29Å; E393-F395 WeakPolarHBondContact O-CD2 3.37Å; E393-F395 WeakPolarHBondContact O-CE2 3.45Å; E393-F395 WeakPolarHBondContact OE2-CZ 3.41Å
396	C	82.5	Confident	72	Confident	121 Å²	121	143.2 Å²	143.2	82%	0.818	70%	0.703	S	S	*	*			trans	-91.6	114.7	175.1	-63.2	0	0	0	0	110.9	P398	C396-P398 WeakPolarHBondContact O-CD 3.2Å
397	L	91.4	Very high	75	Confident	127 Å²	127	139.4 Å²	139.4	67%	0.665	69%	0.69	S	S	*	*			trans	-95.8	110.7	172.3	-174.5	64.5	0	0	0	110.1	I399 L408	L397-I399 HydrophobicContact CD2-CD1 4.35Å; L397-I399 HydrophobicContact CD2-CG1 4.25Å; L397-I399 HydrophobicContact CG-CG1 4.12Å; L397-I399 PolarHBondContact O-N 3Å; L397-L408 HydrophobicContact CD2-CD1 4.21Å
398	P	87	Confident	77.9	Confident	124 Å²	124	130.7 Å²	130.7	81%	0.805	66%	0.661	S	S	*	*			trans	-74.1	120.4	175.6	29.4	-32.7	0	0	0	110.3	C396	C396-P398 WeakPolarHBondContact O-CD 3.2Å
399	I	93.2	Very high	80.6	Confident	59 Å²	59	121.6 Å²	121.6	30%	0.303	63%	0.631	S	S	.	*			trans	-116.5	135.8	-175.5	-60.3	154.1	0	0	0	109.7	L397 I404 Y405 L408	L397-I399 HydrophobicContact CD2-CD1 4.35Å; L397-I399 HydrophobicContact CD2-CG1 4.25Å; L397-I399 HydrophobicContact CG-CG1 4.12Å; L397-I399 PolarHBondContact O-N 3Å; I399-I404 HydrophobicContact CG2-CB 4.1Å; I399-I404 HydrophobicContact CG2-CG2 3.8Å; I399-Y405 HydrophobicContact CD1-CD2 4.11Å; I399-L408 HydrophobicContact CD1-CB 4.12Å; I399-L408 HydrophobicContact CD1-CD1 3.52Å; I399-L408 HydrophobicContact CD1-CG 4.47Å; I399-L408 HydrophobicContact CG1-CD1 3.76Å; I399-L408 HydrophobicContact CG2-CD1 4.33Å
400	K	88.2	Confident	83.4	Confident	198 Å²	198	122.9 Å²	122.9	86%	0.861	62%	0.623	S	S	*	*			trans	-110.3	119.2	175.7	-173.3	-177.8	179.5	-175.2	0	109.7
401	G	89.6	Confident	85.5	Confident	46 Å²	46	120.8 Å²	120.8	47%	0.474	61%	0.606	S	S	.	*	S	Bend	trans	107.1	133.9	-177.7	0	0	0	0	0	112.1	Y405	G401-Y405 PolarHBondContact O-N 2.75Å
402	R	87.1	Confident	87.5	Confident	200 Å²	200	120 Å²	120	76%	0.755	60%	0.596	S	S	*	*	H	α-helix	trans	-69.6	-44.6	-173.9	175.2	174	-76.2	176.6	-5.1	112.5	I404 Y405 E406	R402-I404 PolarHBondContact O-N 3.3Å; R402-Y405 WeakPolarHBondContact O-CB 3.42Å; R402-Y405 PolarHBondContact O-N 2.77Å; R402-Y405 VanDerWaalsContact O-N 3.17Å; R402-E406 VanDerWaalsContact CD-OE1 3.3Å; R402-E406 WeakPolarHBondContact CD-OE1 3.4Å; R402-E406 HydrophobicContact CG-CG 4.3Å; R402-E406 WeakPolarHBondContact CG-OE1 3.36Å; R402-E406 WeakPolarHBondContact O-CG 3.44Å; R402-E406 PolarHBondContact O-N 2.74Å
403	E	90.9	Very high	88.9	Confident	162 Å²	162	116 Å²	116	76%	0.757	58%	0.578	S	S	*	*	H	α-helix	trans	-60.9	-43.5	-179	-66.5	158.5	-161	0	0	112	Y405 E406 M407	E403-Y405 VanDerWaalsContact C-N 3.34Å; E403-E406 PolarHBondContact O-N 2.84Å; E403-M407 WeakPolarHBondContact O-CB 3.26Å; E403-M407 PolarHBondContact O-N 3.15Å
404	I	87.7	Confident	89.4	Confident	96 Å²	96	112.9 Å²	112.9	49%	0.492	57%	0.571	S	S	.	*	H	α-helix	trans	-64.2	-41	176.3	-57	177.3	0	0	0	110.5	I399 R402 M407 L408	I399-I404 HydrophobicContact CG2-CB 4.1Å; I399-I404 HydrophobicContact CG2-CG2 3.8Å; R402-I404 PolarHBondContact O-N 3.3Å; I404-M407 PolarHBondContact O-N 3.4Å; I404-L408 HydrophobicContact CG2-CD1 3.96Å; I404-L408 WeakPolarHBondContact O-CB 3.38Å; I404-L408 WeakPolarHBondContact O-CG 3.14Å; I404-L408 PolarHBondContact O-N 3.44Å
405	Y	93.9	Very high	89.8	Confident	133 Å²	133	111.4 Å²	111.4	52%	0.522	56%	0.558	S	S	.	*	H	α-helix	trans	-61.9	-48.8	174.4	169.3	-93.7	0	0	0	111.9	I399 G401 R402 E403 M407 L408 V409	I399-Y405 HydrophobicContact CD1-CD2 4.11Å; G401-Y405 PolarHBondContact O-N 2.75Å; R402-Y405 WeakPolarHBondContact O-CB 3.42Å; R402-Y405 PolarHBondContact O-N 2.77Å; R402-Y405 VanDerWaalsContact O-N 3.17Å; E403-Y405 VanDerWaalsContact C-N 3.34Å; Y405-M407 VanDerWaalsContact C-N 3.31Å; Y405-M407 PolarHBondContact O-N 2.97Å; Y405-L408 PolarHBondContact O-N 2.75Å; Y405-V409 HydrophobicContact CD1-CG2 4.24Å; Y405-V409 HydrophobicContact CD2-CG2 4.25Å; Y405-V409 HydrophobicContact CE1-CG2 3.78Å; Y405-V409 HydrophobicContact CE2-CG2 3.8Å; Y405-V409 HydrophobicContact CG-CG2 4.45Å; Y405-V409 WeakPolarHBondContact O-CG2 3.29Å; Y405-V409 PolarHBondContact O-N 3.12Å
406	E	91.8	Very high	89.7	Confident	88 Å²	88	107.6 Å²	107.6	41%	0.411	54%	0.542	S	S	.	.	H	α-helix	trans	-63	-35.8	179.5	-72.6	175.5	-161.6	0	0	112.6	R402 E403 K410	R402-E406 VanDerWaalsContact CD-OE1 3.3Å; R402-E406 WeakPolarHBondContact CD-OE1 3.4Å; R402-E406 HydrophobicContact CG-CG 4.3Å; R402-E406 WeakPolarHBondContact CG-OE1 3.36Å; R402-E406 WeakPolarHBondContact O-CG 3.44Å; R402-E406 PolarHBondContact O-N 2.74Å; E403-E406 PolarHBondContact O-N 2.84Å; E406-K410 WeakPolarHBondContact O-CG 3.41Å; E406-K410 PolarHBondContact O-N 2.81Å; E406-K410 VanDerWaalsContact O-N 3.14Å
407	M	93.9	Very high	89.8	Confident	117 Å²	117	107.2 Å²	107.2	58%	0.576	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-46.9	173.2	-171	-174.1	-65.3	0	0	111.8	E403 I404 Y405 V409 K410 I411	E403-M407 WeakPolarHBondContact O-CB 3.26Å; E403-M407 PolarHBondContact O-N 3.15Å; I404-M407 PolarHBondContact O-N 3.4Å; Y405-M407 VanDerWaalsContact C-N 3.31Å; Y405-M407 PolarHBondContact O-N 2.97Å; M407-V409 PolarHBondContact O-N 3.34Å; M407-K410 PolarHBondContact O-N 3.46Å; M407-I411 HydrophobicContact CG-CD1 4.24Å; M407-I411 WeakPolarHBondContact O-CG1 3.4Å; M407-I411 PolarHBondContact O-N 3.33Å
408	L	93	Very high	89.2	Confident	61 Å²	61	106.2 Å²	106.2	32%	0.319	52%	0.524	S	S	.	.	H	α-helix	trans	-68.3	-32.4	179.7	-71.7	169.8	0	0	0	112.8	L397 I399 I404 Y405 I411 K412	L397-L408 HydrophobicContact CD2-CD1 4.21Å; I399-L408 HydrophobicContact CD1-CB 4.12Å; I399-L408 HydrophobicContact CD1-CD1 3.52Å; I399-L408 HydrophobicContact CD1-CG 4.47Å; I399-L408 HydrophobicContact CG1-CD1 3.76Å; I399-L408 HydrophobicContact CG2-CD1 4.33Å; I404-L408 HydrophobicContact CG2-CD1 3.96Å; I404-L408 WeakPolarHBondContact O-CB 3.38Å; I404-L408 WeakPolarHBondContact O-CG 3.14Å; I404-L408 PolarHBondContact O-N 3.44Å; Y405-L408 PolarHBondContact O-N 2.75Å; L408-I411 HydrophobicContact CD2-CD1 4.41Å; L408-I411 PolarHBondContact O-N 3.13Å; L408-K412 WeakPolarHBondContact O-CB 3.49Å; L408-K412 PolarHBondContact O-N 3.08Å
409	V	92.3	Very high	88.7	Confident	36 Å²	36	107 Å²	107	22%	0.218	52%	0.518	C	S	.	.	H	α-helix	trans	-62.4	-49.2	170.7	168.7	0	0	0	0	110.8	Y405 M407 I411 K412 E413	Y405-V409 HydrophobicContact CD1-CG2 4.24Å; Y405-V409 HydrophobicContact CD2-CG2 4.25Å; Y405-V409 HydrophobicContact CE1-CG2 3.78Å; Y405-V409 HydrophobicContact CE2-CG2 3.8Å; Y405-V409 HydrophobicContact CG-CG2 4.45Å; Y405-V409 WeakPolarHBondContact O-CG2 3.29Å; Y405-V409 PolarHBondContact O-N 3.12Å; M407-V409 PolarHBondContact O-N 3.34Å; V409-I411 VanDerWaalsContact C-N 3.27Å; V409-I411 PolarHBondContact O-N 2.86Å; V409-K412 WeakPolarHBondContact O-CB 3.44Å; V409-K412 PolarHBondContact O-N 3.29Å; V409-K412 VanDerWaalsContact O-N 3.15Å; V409-E413 HydrophobicContact CG1-CG 4.3Å; V409-E413 WeakPolarHBondContact O-CG 3.45Å; V409-E413 PolarHBondContact O-N 3.32Å
410	K	92.3	Very high	88	Confident	135 Å²	135	112 Å²	112	59%	0.587	54%	0.538	S	S	*	.	H	α-helix	trans	-58.5	-38.8	176.9	-71.9	167	-177.4	172.2	0	112.4	E406 M407 S414	E406-K410 WeakPolarHBondContact O-CG 3.41Å; E406-K410 PolarHBondContact O-N 2.81Å; E406-K410 VanDerWaalsContact O-N 3.14Å; M407-K410 PolarHBondContact O-N 3.46Å; K410-S414 VanDerWaalsContact O-CB 3.29Å; K410-S414 WeakPolarHBondContact O-CB 3.27Å; K410-S414 PolarHBondContact O-N 3.18Å; K410-S414 PolarHBondContact O-OG 2.95Å
411	I	91.7	Very high	87.5	Confident	85 Å²	85	106.2 Å²	106.2	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-47.6	175.9	-68	164.6	0	0	0	110.7	M407 L408 V409 S414 L415	M407-I411 HydrophobicContact CG-CD1 4.24Å; M407-I411 WeakPolarHBondContact O-CG1 3.4Å; M407-I411 PolarHBondContact O-N 3.33Å; L408-I411 HydrophobicContact CD2-CD1 4.41Å; L408-I411 PolarHBondContact O-N 3.13Å; V409-I411 VanDerWaalsContact C-N 3.27Å; V409-I411 PolarHBondContact O-N 2.86Å; I411-S414 PolarHBondContact O-N 3.34Å; I411-L415 HydrophobicContact CG2-CD1 3.96Å; I411-L415 HydrophobicContact CG2-CG 4.48Å; I411-L415 WeakPolarHBondContact O-CG 3.2Å; I411-L415 PolarHBondContact O-N 3.19Å
412	K	92.6	Very high	87.2	Confident	111 Å²	111	107.2 Å²	107.2	48%	0.483	51%	0.514	S	S	.	.	H	α-helix	trans	-55.1	-54.4	176.1	174.8	-170.5	173.2	-71.1	0	111.5	L408 V409 S414 L415 E416	L408-K412 WeakPolarHBondContact O-CB 3.49Å; L408-K412 PolarHBondContact O-N 3.08Å; V409-K412 WeakPolarHBondContact O-CB 3.44Å; V409-K412 PolarHBondContact O-N 3.29Å; V409-K412 VanDerWaalsContact O-N 3.15Å; K412-S414 VanDerWaalsContact C-N 3.28Å; K412-S414 PolarHBondContact O-N 3.5Å; K412-L415 PolarHBondContact O-N 2.93Å; K412-E416 VanDerWaalsContact CE-OE1 3.32Å; K412-E416 WeakPolarHBondContact CE-OE1 3.43Å; K412-E416 IonicContact NZ-OE1 3.34Å; K412-E416 PolarHBondContact NZ-OE1 3.19Å; K412-E416 IonicContact NZ-OE2 2.83Å; K412-E416 PolarHBondContact NZ-OE2 2.98Å; K412-E416 WeakPolarHBondContact O-CG 3.35Å; K412-E416 PolarHBondContact O-N 3.46Å
413	E	88.6	Confident	86.4	Confident	110 Å²	110	105.2 Å²	105.2	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-36.9	-177.5	-69.4	173	162.7	0	0	111.8	V409 E416 L417	V409-E413 HydrophobicContact CG1-CG 4.3Å; V409-E413 WeakPolarHBondContact O-CG 3.45Å; V409-E413 PolarHBondContact O-N 3.32Å; E413-E416 PolarHBondContact O-N 3.39Å; E413-L417 WeakPolarHBondContact O-CB 3.25Å; E413-L417 PolarHBondContact O-N 2.98Å
414	S	86.8	Confident	86	Confident	70 Å²	70	103.5 Å²	103.5	49%	0.49	51%	0.505	S	S	.	.	H	α-helix	trans	-66.5	-41.5	175.4	-58.4	0	0	0	0	112.3	K410 I411 K412 L417 M418	K410-S414 VanDerWaalsContact O-CB 3.29Å; K410-S414 WeakPolarHBondContact O-CB 3.27Å; K410-S414 PolarHBondContact O-N 3.18Å; K410-S414 PolarHBondContact O-OG 2.95Å; I411-S414 PolarHBondContact O-N 3.34Å; K412-S414 VanDerWaalsContact C-N 3.28Å; K412-S414 PolarHBondContact O-N 3.5Å; S414-L417 PolarHBondContact O-N 3.44Å; S414-M418 WeakPolarHBondContact O-CG 3.21Å; S414-M418 PolarHBondContact O-N 3.27Å
415	L	85.8	Confident	85.6	Confident	101 Å²	101	100.9 Å²	100.9	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-68.2	-38.4	176.9	-71.2	172.4	0	0	0	112.1	I411 K412 M418	I411-L415 HydrophobicContact CG2-CD1 3.96Å; I411-L415 HydrophobicContact CG2-CG 4.48Å; I411-L415 WeakPolarHBondContact O-CG 3.2Å; I411-L415 PolarHBondContact O-N 3.19Å; K412-L415 PolarHBondContact O-N 2.93Å; L415-M418 HydrophobicContact CD2-SD 4.47Å; L415-M418 PolarHBondContact O-N 3.31Å
416	E	84.3	Confident	84.9	Confident	80 Å²	80	96.8 Å²	96.8	37%	0.374	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-47.2	172.1	-73.2	171.2	148.8	0	0	110.6	K412 E413 M418 Q419 F420	K412-E416 VanDerWaalsContact CE-OE1 3.32Å; K412-E416 WeakPolarHBondContact CE-OE1 3.43Å; K412-E416 IonicContact NZ-OE1 3.34Å; K412-E416 PolarHBondContact NZ-OE1 3.19Å; K412-E416 IonicContact NZ-OE2 2.83Å; K412-E416 PolarHBondContact NZ-OE2 2.98Å; K412-E416 WeakPolarHBondContact O-CG 3.35Å; K412-E416 PolarHBondContact O-N 3.46Å; E413-E416 PolarHBondContact O-N 3.39Å; E416-M418 VanDerWaalsContact C-N 3.31Å; E416-M418 PolarHBondContact O-N 3.43Å; E416-Q419 WeakPolarHBondContact O-CB 3.37Å; E416-Q419 PolarHBondContact O-N 3.48Å; E416-Q419 VanDerWaalsContact O-N 3.1Å; E416-F420 WeakPolarHBondContact O-CD2 3.36Å; E416-F420 WeakPolarHBondContact O-CE2 3.33Å
417	L	83.9	Confident	84.5	Confident	113 Å²	113	98 Å²	98	59%	0.592	49%	0.485	S	S	*	.	H	α-helix	trans	-60	-38.7	177.5	-174.8	62.8	0	0	0	112.6	E413 S414 Q419 F420	E413-L417 WeakPolarHBondContact O-CB 3.25Å; E413-L417 PolarHBondContact O-N 2.98Å; S414-L417 PolarHBondContact O-N 3.44Å; L417-Q419 PolarHBondContact O-N 3.41Å; L417-F420 PolarHBondContact O-N 2.83Å
418	M	78.4	Confident	84	Confident	105 Å²	105	95.6 Å²	95.6	52%	0.517	48%	0.48	S	S	.	.	H	α-helix	trans	-59.5	-26.4	176.5	-80.4	-178.9	65.2	0	0	113.8	S414 L415 E416 F420 L421	S414-M418 WeakPolarHBondContact O-CG 3.21Å; S414-M418 PolarHBondContact O-N 3.27Å; L415-M418 HydrophobicContact CD2-SD 4.47Å; L415-M418 PolarHBondContact O-N 3.31Å; E416-M418 VanDerWaalsContact C-N 3.31Å; E416-M418 PolarHBondContact O-N 3.43Å; M418-F420 PolarHBondContact O-N 3.34Å; M418-L421 HydrophobicContact CG-CD1 4.44Å; M418-L421 PolarHBondContact O-N 3.17Å
419	Q	76.2	Confident	83.2	Confident	141 Å²	141	100.1 Å²	100.1	66%	0.659	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.4	176.8	-60	-175.4	5.4	0	0	113	E416 L417	E416-Q419 WeakPolarHBondContact O-CB 3.37Å; E416-Q419 PolarHBondContact O-N 3.48Å; E416-Q419 VanDerWaalsContact O-N 3.1Å; L417-Q419 PolarHBondContact O-N 3.41Å
420	F	78.4	Confident	82.8	Confident	165 Å²	165	105.8 Å²	105.8	72%	0.724	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.8	-179.7	-58.1	-76.9	0	0	0	113.6	E416 L417 M418	E416-F420 WeakPolarHBondContact O-CD2 3.36Å; E416-F420 WeakPolarHBondContact O-CE2 3.33Å; L417-F420 PolarHBondContact O-N 2.83Å; M418-F420 PolarHBondContact O-N 3.34Å
421	L	79.3	Confident	82.3	Confident	76 Å²	76	105.4 Å²	105.4	40%	0.398	51%	0.512	S	S	.	.	S	Bend	trans	-77	135.1	178.7	-67.3	178.9	0	0	0	111.5	M418 Q423 I426	M418-L421 HydrophobicContact CG-CD1 4.44Å; M418-L421 PolarHBondContact O-N 3.17Å; L421-Q423 PolarHBondContact O-N 2.9Å; L421-I426 HydrophobicContact CB-CD1 4.21Å; L421-I426 HydrophobicContact CB-CG1 4.07Å
422	P	81.7	Confident	81.8	Confident	67 Å²	67	106.8 Å²	106.8	44%	0.435	52%	0.516	S	S	.	.			trans	-58.8	138.1	173.8	-24.4	34.5	0	0	0	112.5	H424 T425 I426	P422-H424 VanDerWaalsContact C-N 3.27Å; P422-H424 VanDerWaalsContact CB-CE1 3.41Å; P422-H424 WeakPolarHBondContact CB-CE1 3.49Å; P422-H424 WeakPolarHBondContact CB-ND1 3.44Å; P422-H424 PolarHBondContact O-N 3.07Å; P422-T425 VanDerWaalsContact O-CB 3.29Å; P422-T425 WeakPolarHBondContact O-CB 3.27Å; P422-T425 PolarHBondContact O-N 2.95Å; P422-T425 PolarHBondContact O-OG1 2.86Å; P422-I426 PolarHBondContact O-N 3.44Å
423	Q	71.3	Confident	81.1	Confident	158 Å²	158	107.7 Å²	107.7	74%	0.738	52%	0.522	S	S	*	.	H	α-helix	trans	-55.8	-38.2	-176.4	-74.4	175.5	-34.2	0	0	113.5	L421 T425 I426 E427	L421-Q423 PolarHBondContact O-N 2.9Å; Q423-T425 VanDerWaalsContact C-N 3.26Å; Q423-T425 PolarHBondContact O-N 2.89Å; Q423-I426 WeakPolarHBondContact O-CB 3.23Å; Q423-I426 PolarHBondContact O-N 3.05Å; Q423-E427 WeakPolarHBondContact O-CG 3.1Å; Q423-E427 PolarHBondContact O-N 3.32Å
424	H	82.2	Confident	80.5	Confident	126 Å²	126	108.9 Å²	108.9	58%	0.583	53%	0.528	S	S	*	.	H	α-helix	trans	-60.7	-35.7	176.8	74.6	-93.4	0	0	0	112.3	P422 E427 S428	P422-H424 VanDerWaalsContact C-N 3.27Å; P422-H424 VanDerWaalsContact CB-CE1 3.41Å; P422-H424 WeakPolarHBondContact CB-CE1 3.49Å; P422-H424 WeakPolarHBondContact CB-ND1 3.44Å; P422-H424 PolarHBondContact O-N 3.07Å; H424-E427 PolarHBondContact O-N 2.83Å; H424-S428 PolarHBondContact O-N 3.26Å; H424-S428 PolarHBondContact O-OG 2.78Å
425	T	78.7	Confident	80.1	Confident	40 Å²	40	110.2 Å²	110.2	25%	0.245	53%	0.529	C	S	.	.	H	α-helix	trans	-68	-42.8	177.2	-41.9	0	0	0	0	110.5	P422 Q423 E427 S428 Y429	P422-T425 VanDerWaalsContact O-CB 3.29Å; P422-T425 WeakPolarHBondContact O-CB 3.27Å; P422-T425 PolarHBondContact O-N 2.95Å; P422-T425 PolarHBondContact O-OG1 2.86Å; Q423-T425 VanDerWaalsContact C-N 3.26Å; Q423-T425 PolarHBondContact O-N 2.89Å; T425-E427 VanDerWaalsContact C-N 3.32Å; T425-E427 PolarHBondContact O-N 3.47Å; T425-S428 PolarHBondContact O-N 2.64Å; T425-Y429 HydrophobicContact CG2-CD2 4.23Å; T425-Y429 HydrophobicContact CG2-CE2 4.25Å; T425-Y429 WeakPolarHBondContact O-CD2 3.44Å; T425-Y429 PolarHBondContact O-N 3.39Å
426	I	80.8	Confident	79.5	Confident	47 Å²	47	110.6 Å²	110.6	24%	0.241	53%	0.532	C	S	.	.	H	α-helix	trans	-61.8	-41.6	176.2	-58.6	172.2	0	0	0	110.6	L421 P422 Q423 Y429 R430	L421-I426 HydrophobicContact CB-CD1 4.21Å; L421-I426 HydrophobicContact CB-CG1 4.07Å; P422-I426 PolarHBondContact O-N 3.44Å; Q423-I426 WeakPolarHBondContact O-CB 3.23Å; Q423-I426 PolarHBondContact O-N 3.05Å; I426-Y429 PolarHBondContact O-N 3.32Å; I426-R430 PolarHBondContact O-N 3.35Å
427	E	83.1	Confident	78.8	Confident	113 Å²	113	112.3 Å²	112.3	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-69.6	-39.2	177.5	-72.2	175.5	164.4	0	0	112.6	Q423 H424 T425 R430 Q431	Q423-E427 WeakPolarHBondContact O-CG 3.1Å; Q423-E427 PolarHBondContact O-N 3.32Å; H424-E427 PolarHBondContact O-N 2.83Å; T425-E427 VanDerWaalsContact C-N 3.32Å; T425-E427 PolarHBondContact O-N 3.47Å; E427-R430 PolarHBondContact O-N 3.19Å; E427-Q431 WeakPolarHBondContact O-CG 3.44Å; E427-Q431 PolarHBondContact O-N 3.37Å
428	S	82.3	Confident	77.8	Confident	68 Å²	68	113.7 Å²	113.7	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-59.3	-45.6	172	-61.6	0	0	0	0	112	H424 T425 R430 Q431 Q432	H424-S428 PolarHBondContact O-N 3.26Å; H424-S428 PolarHBondContact O-OG 2.78Å; T425-S428 PolarHBondContact O-N 2.64Å; S428-R430 PolarHBondContact O-N 3.01Å; S428-Q431 PolarHBondContact O-N 3.07Å; S428-Q432 WeakPolarHBondContact O-CB 3.3Å; S428-Q432 PolarHBondContact O-N 3.3Å
429	Y	77.1	Confident	76.8	Confident	156 Å²	156	116.6 Å²	116.6	61%	0.612	56%	0.556	S	S	*	*	H	α-helix	trans	-63.4	-39.2	175.9	-91.6	-76.8	0	0	0	112.8	T425 I426 Q432 Q433	T425-Y429 HydrophobicContact CG2-CD2 4.23Å; T425-Y429 HydrophobicContact CG2-CE2 4.25Å; T425-Y429 WeakPolarHBondContact O-CD2 3.44Å; T425-Y429 PolarHBondContact O-N 3.39Å; I426-Y429 PolarHBondContact O-N 3.32Å; Y429-Q432 PolarHBondContact O-N 2.94Å; Y429-Q433 PolarHBondContact O-N 2.81Å
430	R	83.5	Confident	75.7	Confident	155 Å²	155	115.7 Å²	115.7	59%	0.585	55%	0.552	S	S	*	*	H	α-helix	trans	-63.5	-43.8	173.5	-77.4	-176.7	-176.6	164.7	2.9	112.5	I426 E427 S428 Q432 Q433 Q434	I426-R430 PolarHBondContact O-N 3.35Å; E427-R430 PolarHBondContact O-N 3.19Å; S428-R430 PolarHBondContact O-N 3.01Å; R430-Q432 VanDerWaalsContact C-N 3.29Å; R430-Q432 PolarHBondContact O-N 3.17Å; R430-Q433 PolarHBondContact O-N 3.31Å; R430-Q434 WeakPolarHBondContact O-CG 3.49Å; R430-Q434 PolarHBondContact O-N 3.41Å
431	Q	81.6	Confident	74.2	Confident	126 Å²	126	113.4 Å²	113.4	59%	0.589	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-34.9	176.2	-73.6	-176	10.1	0	0	112	E427 S428 N435	E427-Q431 WeakPolarHBondContact O-CG 3.44Å; E427-Q431 PolarHBondContact O-N 3.37Å; S428-Q431 PolarHBondContact O-N 3.07Å; Q431-N435 WeakPolarHBondContact O-CB 3.16Å; Q431-N435 PolarHBondContact O-N 3.16Å; Q431-N435 PolarHBondContact O-ND2 2.74Å
432	Q	81.9	Confident	72.6	Confident	114 Å²	114	114.8 Å²	114.8	53%	0.533	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-47.3	173.5	-172.3	174.7	-4	0	0	111.3	S428 Y429 R430 Q434 N435 L436	S428-Q432 WeakPolarHBondContact O-CB 3.3Å; S428-Q432 PolarHBondContact O-N 3.3Å; Y429-Q432 PolarHBondContact O-N 2.94Å; R430-Q432 VanDerWaalsContact C-N 3.29Å; R430-Q432 PolarHBondContact O-N 3.17Å; Q432-Q434 PolarHBondContact O-N 2.78Å; Q432-N435 PolarHBondContact O-N 2.99Å; Q432-L436 HydrophobicContact CG-CD1 4.09Å; Q432-L436 WeakPolarHBondContact O-CD1 3.33Å; Q432-L436 PolarHBondContact O-N 3.12Å; Q432-L436 VanDerWaalsContact O-N 3.08Å
433	Q	76.8	Confident	70.9	Confident	130 Å²	130	119 Å²	119	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-58.5	-47.3	174.1	-80.2	-176.9	-27.1	0	0	112.1	Y429 R430 N435 L436 L437	Y429-Q433 PolarHBondContact O-N 2.81Å; R430-Q433 PolarHBondContact O-N 3.31Å; Q433-N435 VanDerWaalsContact C-N 3.3Å; Q433-N435 PolarHBondContact O-N 3.26Å; Q433-L436 PolarHBondContact O-N 3.06Å; Q433-L437 WeakPolarHBondContact O-CD1 3.27Å; Q433-L437 PolarHBondContact O-N 2.98Å
434	Q	77.4	Confident	69.3	Low	135 Å²	135	120.6 Å²	120.6	63%	0.631	59%	0.586	S	S	*	*	H	α-helix	trans	-60.6	-37.5	178.2	-73.5	179.7	-11.7	0	0	112.6	R430 Q432 L437 Q438	R430-Q434 WeakPolarHBondContact O-CG 3.49Å; R430-Q434 PolarHBondContact O-N 3.41Å; Q432-Q434 PolarHBondContact O-N 2.78Å; Q434-L437 PolarHBondContact O-N 2.9Å; Q434-Q438 WeakPolarHBondContact O-CB 3.48Å; Q434-Q438 PolarHBondContact O-N 2.83Å
435	N	78.4	Confident	66.9	Low	98 Å²	98	120.1 Å²	120.1	52%	0.524	60%	0.597	S	S	.	*	H	α-helix	trans	-65.3	-34.6	173	-90.9	-79.2	0	0	0	113.3	Q431 Q432 Q433 K439	Q431-N435 WeakPolarHBondContact O-CB 3.16Å; Q431-N435 PolarHBondContact O-N 3.16Å; Q431-N435 PolarHBondContact O-ND2 2.74Å; Q432-N435 PolarHBondContact O-N 2.99Å; Q433-N435 VanDerWaalsContact C-N 3.3Å; Q433-N435 PolarHBondContact O-N 3.26Å; N435-K439 PolarHBondContact O-N 2.72Å
436	L	72.7	Confident	65.3	Low	110 Å²	110	124.2 Å²	124.2	58%	0.576	62%	0.624	S	S	*	*	H	α-helix	trans	-69	-45	174.4	-89.9	84.8	0	0	0	111.7	Q432 Q433 Q438 K439 Q440	Q432-L436 HydrophobicContact CG-CD1 4.09Å; Q432-L436 WeakPolarHBondContact O-CD1 3.33Å; Q432-L436 PolarHBondContact O-N 3.12Å; Q432-L436 VanDerWaalsContact O-N 3.08Å; Q433-L436 PolarHBondContact O-N 3.06Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; L436-Q438 PolarHBondContact O-N 2.96Å; L436-K439 PolarHBondContact O-N 3.38Å; L436-Q440 PolarHBondContact O-N 3.47Å
437	L	68.6	Low	63.2	Low	115 Å²	115	128.2 Å²	128.2	60%	0.602	65%	0.651	S	S	*	*	H	α-helix	trans	-61.7	-43.2	176.8	-83.9	83.6	0	0	0	111.5	Q433 Q434 K439 Q440 T441	Q433-L437 WeakPolarHBondContact O-CD1 3.27Å; Q433-L437 PolarHBondContact O-N 2.98Å; Q434-L437 PolarHBondContact O-N 2.9Å; L437-K439 VanDerWaalsContact C-N 3.26Å; L437-K439 PolarHBondContact O-N 3.5Å; L437-Q440 PolarHBondContact O-N 2.96Å; L437-Q440 VanDerWaalsContact O-N 3.12Å; L437-T441 PolarHBondContact O-N 3.37Å; L437-T441 PolarHBondContact O-OG1 2.89Å
438	Q	63.5	Low	60.7	Low	142 Å²	142	129.5 Å²	129.5	66%	0.664	67%	0.667	S	S	*	*	H	α-helix	trans	-67.9	-24.3	-179.8	-163.5	167.4	64.4	0	0	113.1	Q434 L436 T442	Q434-Q438 WeakPolarHBondContact O-CB 3.48Å; Q434-Q438 PolarHBondContact O-N 2.83Å; L436-Q438 VanDerWaalsContact C-N 3.35Å; L436-Q438 PolarHBondContact O-N 2.96Å; Q438-T442 PolarHBondContact O-OG1 3.18Å
439	K	57.7	Low	58.4	Low	166 Å²	166	137.2 Å²	137.2	72%	0.722	69%	0.687	S	S	*	*	H	α-helix	trans	-74.2	-24.6	171.5	-84.6	-175.3	174	-177.9	0	114.1	N435 L436 L437	N435-K439 PolarHBondContact O-N 2.72Å; L436-K439 PolarHBondContact O-N 3.38Å; L437-K439 VanDerWaalsContact C-N 3.26Å; L437-K439 PolarHBondContact O-N 3.5Å
440	Q	53.7	Low	56.2	Low	123 Å²	123	133.4 Å²	133.4	58%	0.575	70%	0.695	S	S	*	*	H	α-helix	trans	-76.4	-32.8	175	-78.5	-168.4	-27	0	0	112.7	H65 L436 L437 T442 M443	H65-Q440 PolarHBondContact CD2-NE2 3.27Å; H65-Q440 VanDerWaalsContact CD2-NE2 3.32Å; H65-Q440 PolarHBondContact NE2-NE2 2.97Å; L436-Q440 PolarHBondContact O-N 3.47Å; L437-Q440 PolarHBondContact O-N 2.96Å; L437-Q440 VanDerWaalsContact O-N 3.12Å; Q440-T442 PolarHBondContact O-N 2.73Å; Q440-M443 PolarHBondContact O-N 3.28Å
441	T	47	Very low	53.6	Low	117 Å²	117	131.3 Å²	131.3	72%	0.718	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-17.8	-175	-30	0	0	0	0	113.8	L437 M443	L437-T441 PolarHBondContact O-N 3.37Å; L437-T441 PolarHBondContact O-OG1 2.89Å; T441-M443 VanDerWaalsContact C-N 3.33Å; T441-M443 PolarHBondContact O-N 2.87Å
442	T	44.5	Very low	51.2	Low	105 Å²	105	129.6 Å²	129.6	64%	0.644	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-5.5	-175.8	-33.2	0	0	0	0	114.1	Q438 Q440	Q438-T442 PolarHBondContact O-OG1 3.18Å; Q440-T442 PolarHBondContact O-N 2.73Å
443	M	46.7	Very low	48.6	Very low	156 Å²	156	129.8 Å²	129.8	77%	0.768	72%	0.72	S	S	*	*	S	Bend	trans	-121.2	50.2	-172	-76.7	-70.7	119.1	0	0	113.7	Q440 T441	Q440-M443 PolarHBondContact O-N 3.28Å; T441-M443 VanDerWaalsContact C-N 3.33Å; T441-M443 PolarHBondContact O-N 2.87Å
444	Q	38.2	Very low	47.3	Very low	190 Å²	190	128.9 Å²	128.9	89%	0.888	73%	0.726	S	S	*	*			trans	-156.2	103.2	162.8	-116.2	163.7	68.1	0	0	113.6
445	S	31.3	Very low	45.1	Very low	116 Å²	116	128.3 Å²	128.3	81%	0.811	73%	0.732	S	S	*	*			trans	-152.5	111.5	153.2	57.5	0	0	0	0	109.8
446	P	45.5	Very low	42.9	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	75%	0.748	S	S	*	*			trans	-83.3	142.1	170.9	32	-31.4	0	0	0	110.8
447	T	35.5	Very low	40.8	Very low	131 Å²	131	130.6 Å²	130.6	80%	0.804	75%	0.754	S	S	*	*			trans	-77	137.6	177.8	50.1	0	0	0	0	113.1
448	T	30.1	Very low	39	Very low	141 Å²	141	134.9 Å²	134.9	87%	0.865	77%	0.768	S	S	*	*			trans	-135.9	138.1	157.3	-61.1	0	0	0	0	110
449	Y	33.9	Very low	37.6	Very low	229 Å²	229	134.9 Å²	134.9	90%	0.898	78%	0.778	S	S	*	*			trans	-74.5	152.3	-174	-74.9	-105	0	0	0	113.7
450	G	31.7	Very low	36.4	Very low	76 Å²	76	133.6 Å²	133.6	78%	0.784	78%	0.778	S	S	*	*			trans	176.2	73.7	171.7	0	0	0	0	0	119.2
451	S	30	Very low	35.3	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	79%	0.79	S	S	*	*			trans	46.5	120	144.7	-145.9	0	0	0	0	124.2
452	S	29.4	Very low	34.4	Very low	91 Å²	91	138.8 Å²	138.8	64%	0.636	80%	0.796	S	S	*	*			trans	58.6	99.7	130.3	67.4	0	0	0	0	123.7
453	S	29.2	Very low	34.8	Very low	117 Å²	117	139.3 Å²	139.3	82%	0.818	80%	0.801	S	S	*	*				62.1	172.9	122.2	-38	0	0	0	0	119.7
454	P	49.2	Very low	34	Very low	111 Å²	111	137.3 Å²	137.3	72%	0.721	80%	0.802	S	S	*	*				-126	177.2	-109.9	32.3	-10.3	0	0	0	114.9
455	T	29.4	Very low	33.7	Very low	123 Å²	123	134.4 Å²	134.4	76%	0.755	80%	0.797	S	S	*	*				175.4	136.6	125.2	32.4	0	0	0	0	115.1
456	H	32.3	Very low	33.7	Very low	188 Å²	188	133.5 Å²	133.5	87%	0.87	79%	0.791	S	S	*	*			trans	29.4	129.6	150.5	-65.4	-81.7	0	0	0	123.4
457	G	29	Very low	33.1	Very low	68 Å²	68	136 Å²	136	70%	0.701	79%	0.792	S	S	*	*			trans	-157.8	-21.5	168.6	0	0	0	0	0	121.2
458	K	31.8	Very low	33	Very low	206 Å²	206	137.1 Å²	137.1	90%	0.896	79%	0.792	S	S	*	*			trans	69.6	149.6	-172	-49.7	169	-178.2	173.7	0	112
459	V	34.8	Very low	32.9	Very low	142 Å²	142	138.4 Å²	138.4	86%	0.861	79%	0.792	S	S	*	*			cis	-140.4	144.9	28.2	-146.6	0	0	0	0	112.5
460	N	31.3	Very low	32.8	Very low	138 Å²	138	133.8 Å²	133.8	74%	0.738	78%	0.783	S	S	*	*			trans	-68.8	163.8	167.7	-77	-28.4	0	0	0	111.4
461	K	30.1	Very low	33.5	Very low	187 Å²	187	135.7 Å²	135.7	81%	0.813	78%	0.782	S	S	*	*			cis	-166	161.2	9.8	-124	166.2	-171	-174.3	0	110.2
462	L	29.2	Very low	33.6	Very low	163 Å²	163	138.5 Å²	138.5	85%	0.853	78%	0.782	S	S	*	*			trans	-84.2	-166.6	162.2	-69.8	148	0	0	0	110.7
463	P	52.2	Low	33.6	Very low	115 Å²	115	143 Å²	143	75%	0.747	79%	0.793	S	S	*	*				-129.7	174	-88.5	40.4	-22.6	0	0	0	115.2
464	S	30.5	Very low	33.6	Very low	114 Å²	114	147.2 Å²	147.2	80%	0.797	79%	0.791	S	S	*	*			trans	-173.8	128.7	158.9	-93.4	0	0	0	0	110.5
465	V	32.3	Very low	32.5	Very low	129 Å²	129	147.9 Å²	147.9	78%	0.782	79%	0.789	S	S	*	*				89.4	135.4	66.5	169.3	0	0	0	0	113.8
466	S	31	Very low	32.3	Very low	97 Å²	97	147.7 Å²	147.7	68%	0.678	79%	0.788	S	S	*	*			trans	84.6	145	179.4	-61.6	0	0	0	0	116.7
467	Q	31.7	Very low	32	Very low	178 Å²	178	146.3 Å²	146.3	83%	0.832	79%	0.786	S	S	*	*			cis	-156.6	175.4	9.4	-124	156.1	40.2	0	0	113
468	L	34.6	Very low	32.4	Very low	156 Å²	156	148.9 Å²	148.9	82%	0.817	79%	0.788	S	S	*	*			trans	-77.3	160.7	-175.3	-72.3	75.8	0	0	0	115.1
469	I	28.2	Very low	32.9	Very low	167 Å²	167	144.4 Å²	144.4	86%	0.856	78%	0.78	S	S	*	*				171	150.2	115.4	-86.4	159.3	0	0	0	111.9
470	N	30.6	Very low	32.5	Very low	133 Å²	133	143 Å²	143	71%	0.711	78%	0.776	S	S	*	*			trans	-120.9	154.4	176.3	-169.4	19.5	0	0	0	108.7
471	P	46.2	Very low	32.3	Very low	116 Å²	116	141.1 Å²	141.1	75%	0.753	77%	0.774	S	S	*	*				-155.8	177.3	98	39.6	-19.9	0	0	0	117.2
472	Q	32.4	Very low	32.2	Very low	170 Å²	170	140.3 Å²	140.3	79%	0.794	78%	0.775	S	S	*	*			trans	-92.9	157	172	-59.8	-170.2	-12.7	0	0	114.4
473	Q	30.6	Very low	32.1	Very low	184 Å²	184	138.9 Å²	138.9	86%	0.86	77%	0.773	S	S	*	*			trans	-161.5	162.9	133.4	-71.2	-148.6	37.3	0	0	108.5
474	R	28.9	Very low	30.9	Very low	206 Å²	206	137.3 Å²	137.3	78%	0.777	78%	0.779	S	S	*	*			cis	130.9	107.1	-18.2	-168.1	179.8	-173	-171.7	3	114.6
475	N	25.9	Very low	30.7	Very low	126 Å²	126	135.4 Å²	135.4	67%	0.674	78%	0.777	S	S	*	*			trans	69.4	146.7	156.6	-75.8	5.7	0	0	0	123.2
476	T	23.9	Very low	30.6	Very low	119 Å²	119	137.1 Å²	137.1	73%	0.73	78%	0.781	S	S	*	*			trans	86.3	131	137.6	34.1	0	0	0	0	124.9
477	L	27.5	Very low	30.5	Very low	158 Å²	158	138.2 Å²	138.2	83%	0.827	78%	0.783	S	S	*	*			trans	84.9	130.6	138.8	-69.8	163.1	0	0	0	122.4
478	T	36.3	Very low	30.4	Very low	122 Å²	122	135.8 Å²	135.8	75%	0.748	78%	0.776	S	S	*	*			trans	-76.6	162.2	155.8	50.9	0	0	0	0	109.9
479	P	42	Very low	30.1	Very low	113 Å²	113	135.7 Å²	135.7	73%	0.734	77%	0.774	S	S	*	*				-158.9	-177.3	79.5	42	-20.4	0	0	0	118.1
480	S	27.8	Very low	30.2	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	77%	0.769	S	S	*	*			trans	77.4	143.7	154.5	-59.3	0	0	0	0	118.5
481	S	26.1	Very low	31.3	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	77%	0.769	S	S	*	*			cis	-164.8	141.7	13.3	38.9	0	0	0	0	114.6
482	M	28.3	Very low	30.6	Very low	169 Å²	169	134 Å²	134	83%	0.833	77%	0.769	S	S	*	*			trans	62.9	154.3	142.5	-55.4	-54.6	150.8	0	0	120
483	T	27.2	Very low	30.5	Very low	133 Å²	133	133.7 Å²	133.7	82%	0.816	77%	0.769	S	S	*	*			cis	-163.8	150.8	11.3	-8.2	0	0	0	0	112.6
484	G	26.4	Very low	30.4	Very low	83 Å²	83	128 Å²	128	86%	0.856	76%	0.76	S	S	*	*			trans	71	155.1	155.2	0	0	0	0	0	118.8
485	G	26.1	Very low	30.4	Very low	74 Å²	74	122.9 Å²	122.9	76%	0.763	76%	0.756	S	S	*	*			cis	168.1	117	-7.6	0	0	0	0	0	113
486	L	30	Very low	30.5	Very low	164 Å²	164	124.4 Å²	124.4	86%	0.859	76%	0.759	S	S	*	*			trans	44.8	151.4	139.7	-78.6	165.5	0	0	0	124.4
487	T	30.6	Very low	30.9	Very low	120 Å²	120	126.5 Å²	126.5	74%	0.736	76%	0.764	S	S	*	*			trans	76.5	145.8	164	78.4	0	0	0	0	116.2
488	D	27.9	Very low	31.8	Very low	127 Å²	127	124.7 Å²	124.7	68%	0.679	76%	0.761	S	S	*	*			cis	-162.3	170.1	-5.2	-133	-22.1	0	0	0	115.6
489	M	30.3	Very low	31.7	Very low	155 Å²	155	127.7 Å²	127.7	76%	0.764	77%	0.769	S	S	*	*			trans	76.6	143.2	154.1	-65.8	-64.1	138	0	0	123.3
490	T	30.3	Very low	31	Very low	125 Å²	125	128.1 Å²	128.1	77%	0.767	78%	0.775	S	S	*	*			trans	-125.4	-149.3	-170.6	56.9	0	0	0	0	109.5
491	P	52.3	Low	31.1	Very low	108 Å²	108	127.4 Å²	127.4	70%	0.701	78%	0.776	S	S	*	*				-122.1	-171.2	-58.3	30.6	-12.2	0	0	0	111.9
492	I	31.4	Very low	31.1	Very low	148 Å²	148	130.8 Å²	130.8	76%	0.759	79%	0.786	S	S	*	*				-168.3	148.7	124.9	-104	166.3	0	0	0	114.7
493	M	31.8	Very low	31.2	Very low	162 Å²	162	130.4 Å²	130.4	80%	0.798	78%	0.784	S	S	*	*			trans	-26.3	161.2	177.4	-60	174.9	-88.4	0	0	120.7
494	G	28.2	Very low	31.3	Very low	65 Å²	65	128.4 Å²	128.4	67%	0.67	78%	0.776	S	S	*	*			cis	109.5	79.8	-6.9	0	0	0	0	0	118.1
495	S	27.3	Very low	31.3	Very low	99 Å²	99	129.4 Å²	129.4	69%	0.692	77%	0.77	S	S	*	*			trans	-174.5	128.1	163.9	49.3	0	0	0	0	110.7
496	H	29.1	Very low	31.5	Very low	158 Å²	158	133.9 Å²	133.9	73%	0.731	78%	0.775	S	S	*	*			cis	97	105.2	42.9	70.8	-128.3	0	0	0	116.2
497	I	31.6	Very low	31.4	Very low	163 Å²	163	131.2 Å²	131.2	84%	0.836	77%	0.77	S	S	*	*			trans	66.9	160.7	135.7	-63.1	172.2	0	0	0	117.7
498	P	47.1	Very low	32.1	Very low	119 Å²	119	131.4 Å²	131.4	77%	0.773	77%	0.773	S	S	*	*			cis	-125.4	-175.3	-7.3	25.4	-1.6	0	0	0	116.2
499	M	34.2	Very low	32.2	Very low	186 Å²	186	131.4 Å²	131.4	92%	0.916	78%	0.778	S	S	*	*			trans	-70.8	163.3	158.5	-61.2	176.6	137.3	0	0	113.5
500	S	26.8	Very low	32.3	Very low	122 Å²	122	133.8 Å²	133.8	85%	0.853	79%	0.787	S	S	*	*			trans	-145.8	124.8	155.3	60.3	0	0	0	0	111
501	A	29.8	Very low	32.2	Very low	96 Å²	96	131.7 Å²	131.7	79%	0.793	78%	0.783	S	S	*	*			trans	-110.3	136.7	161.9	0	0	0	0	0	107.3
502	D	26.6	Very low	31.1	Very low	170 Å²	170	134.5 Å²	134.5	91%	0.909	79%	0.791	S	S	*	*			trans	-157.6	166.4	159.7	-124.8	-33	0	0	0	114.1
503	M	29.8	Very low	30.9	Very low	161 Å²	161	136.1 Å²	136.1	79%	0.793	80%	0.795	S	S	*	*			trans	-91.6	147.6	-156.9	-85.2	-83.6	-165.7	0	0	117
504	S	29.8	Very low	31	Very low	92 Å²	92	136.9 Å²	136.9	64%	0.643	80%	0.797	S	S	*	*			trans	60.7	139.4	132.5	-64.5	0	0	0	0	124.3
505	S	26.3	Very low	30.9	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	81%	0.806	S	S	*	*			trans	73.5	118.8	149.2	71.5	0	0	0	0	119.5
506	L	31	Very low	31.3	Very low	168 Å²	168	145.4 Å²	145.4	88%	0.88	81%	0.813	S	S	*	*				178.5	130.2	96.9	-88.9	168.1	0	0	0	110.8
507	S	28.1	Very low	31.4	Very low	108 Å²	108	143.8 Å²	143.8	76%	0.755	82%	0.816	S	S	*	*			trans	-93.5	161.1	159.1	-53.5	0	0	0	0	108.6
508	P	43.9	Very low	31.5	Very low	123 Å²	123	143.8 Å²	143.8	80%	0.799	82%	0.817	S	S	*	*				-148.4	157.5	92.9	35.5	-16.8	0	0	0	117.5
509	T	30.6	Very low	30.8	Very low	128 Å²	128	144.5 Å²	144.5	79%	0.785	82%	0.819	S	S	*	*			trans	-19.4	142.4	162.8	50.2	0	0	0	0	120.9
510	H	31.6	Very low	30.6	Very low	204 Å²	204	140.9 Å²	140.9	94%	0.944	81%	0.809	S	S	*	*			trans	-143	156.2	133.7	-124.8	-92.5	0	0	0	111.1
511	A	28.6	Very low	31	Very low	82 Å²	82	139.6 Å²	139.6	68%	0.678	80%	0.8	S	S	*	*			trans	-115.1	160.2	-158.4	0	0	0	0	0	115.8
512	L	29.4	Very low	31.1	Very low	166 Å²	166	139.7 Å²	139.7	87%	0.869	80%	0.795	S	S	*	*			trans	60.9	110.8	158	-67.8	167.9	0	0	0	119.5
513	Q	27.2	Very low	31.7	Very low	183 Å²	183	139.8 Å²	139.8	86%	0.855	79%	0.789	S	S	*	*				-154.3	143.5	117.7	-159.3	149.2	-2.1	0	0	111.8
514	Q	33.7	Very low	31.8	Very low	178 Å²	178	137.4 Å²	137.4	83%	0.832	79%	0.787	S	S	*	*			trans	-85.1	133.6	172.2	-68.1	175.1	-9.4	0	0	110.4
515	Q	27	Very low	32.1	Very low	183 Å²	183	139.1 Å²	139.1	86%	0.855	79%	0.794	S	S	*	*			trans	-152.9	145.5	161	-115.7	169	-7.6	0	0	110.7
516	L	34.4	Very low	32.7	Very low	160 Å²	160	139.5 Å²	139.5	84%	0.838	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-67.7	145	-174.9	-62.7	101.1	0	0	0	111.8	L518	L516-L518 PolarHBondContact O-N 3.31Å
517	P	32.7	Very low	33	Very low	123 Å²	123	136 Å²	136	80%	0.799	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.3	116.1	170.3	-14.9	29.8	0	0	0	111.1
518	L	32	Very low	33.6	Very low	164 Å²	164	136 Å²	136	86%	0.859	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61.7	144.7	152	-104.9	73.7	0	0	0	108.7	L516 P520	L516-L518 PolarHBondContact O-N 3.31Å; L518-P520 WeakPolarHBondContact O-CD 3.48Å
519	V	32.7	Very low	33.5	Very low	133 Å²	133	136.1 Å²	136.1	81%	0.806	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-90	120.8	176.4	177.1	0	0	0	0	110.3
520	P	30.3	Very low	33.8	Very low	111 Å²	111	139.2 Å²	139.2	72%	0.721	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-94.1	120.7	151.8	18.8	-1.3	0	0	0	109	L518 S522	L518-P520 WeakPolarHBondContact O-CD 3.48Å; P520-S522 PolarHBondContact O-N 3.46Å
521	S	35.8	Very low	34.4	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	77%	0.769	S	S	*	*			trans	-73.7	94.7	177.3	54.1	0	0	0	0	111.4
522	S	30.7	Very low	35.8	Very low	98 Å²	98	135.8 Å²	135.8	69%	0.685	76%	0.76	S	S	*	*			trans	-106.8	107.2	167.7	57.8	0	0	0	0	110.5	P520 C524	P520-S522 PolarHBondContact O-N 3.46Å; S522-C524 PolarHBondContact O-N 3.18Å
523	H	40	Very low	37.3	Very low	172 Å²	172	133.8 Å²	133.8	80%	0.796	75%	0.75	S	S	*	*			trans	-77.8	66.8	-176.5	-43.7	-79.3	0	0	0	112.1
524	C	32.8	Very low	39.9	Very low	111 Å²	111	126.6 Å²	126.6	75%	0.75	72%	0.72	S	S	*	*			trans	-95.9	105.8	167.8	-68.3	0	0	0	0	109	S522	S522-C524 PolarHBondContact O-N 3.18Å
525	T	35.3	Very low	42.5	Very low	129 Å²	129	120.1 Å²	120.1	79%	0.791	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-58.4	128.7	163.2	43.5	0	0	0	0	108.9
526	P	38.8	Very low	45.6	Very low	112 Å²	112	111.4 Å²	111.4	73%	0.727	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-61	146.5	172.9	27	-33.7	0	0	0	109.6
527	P	37.5	Very low	48.2	Very low	93 Å²	93	106.7 Å²	106.7	60%	0.604	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-59.5	149.8	173.5	26.8	-33.9	0	0	0	110
528	P	39.8	Very low	50.8	Low	110 Å²	110	102.2 Å²	102.2	71%	0.714	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-57.2	149.4	173.9	26.5	-34.6	0	0	0	110	Y530	P528-Y530 PolarHBondContact O-N 3.05Å
529	P	43.5	Very low	53.6	Low	125 Å²	125	95 Å²	95	81%	0.812	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-56.5	128.6	-179.5	23.9	-33.4	0	0	0	109.8
530	Y	36.3	Very low	56.4	Low	193 Å²	193	88.7 Å²	88.7	76%	0.757	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-53.8	148.3	175.4	-73.7	-90.8	0	0	0	110.3	P528 M532	P528-Y530 PolarHBondContact O-N 3.05Å; Y530-M532 PolarHBondContact O-N 3.15Å
531	P	44.8	Very low	59.3	Low	113 Å²	113	89.2 Å²	89.2	73%	0.734	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-53.5	133.1	170.1	25.1	-33.9	0	0	0	109	D533	P531-D533 PolarHBondContact O-N 3.02Å
532	M	56.5	Low	61.8	Low	100 Å²	100	91.4 Å²	91.4	49%	0.493	52%	0.519	S	S	.	.			trans	-63.3	105.8	178.1	-67.7	-78	-146.2	0	0	108.9	Y530 S534 R542	Y530-M532 PolarHBondContact O-N 3.15Å; M532-S534 PolarHBondContact O-N 3.06Å; M532-S534 PolarHBondContact O-OG 3.3Å; M532-R542 PolarHBondContact SD-NH1 3.04Å; M532-R542 PolarHBondContact SD-NH2 2.79Å
533	D	62.5	Low	64.5	Low	124 Å²	124	89 Å²	89	66%	0.663	50%	0.498	S	S	*	.			trans	-56.6	111.7	169.2	-84.4	-34.9	0	0	0	108.7	P531 S535 S538	P531-D533 PolarHBondContact O-N 3.02Å; D533-S535 PolarHBondContact O-N 3.47Å; D533-S538 PolarHBondContact O-OG 2.81Å
534	S	80	Confident	66.8	Low	33 Å²	33	83.9 Å²	83.9	23%	0.231	49%	0.492	C	S	.	.			trans	-75.1	24.8	-176.7	-35.9	0	0	0	0	112.9	M532 N559 M560 Y561	M532-S534 PolarHBondContact O-N 3.06Å; M532-S534 PolarHBondContact O-OG 3.3Å; S534-N559 CarbonylContact O-C 3.54Å; S534-N559 WeakPolarHBondContact O-CA 3.4Å; S534-N559 PolarHBondContact O-OD1 2.96Å; S534-N559 VanDerWaalsContact O-OD1 3.11Å; S534-M560 WeakPolarHBondContact O-CB 3.41Å; S534-M560 PolarHBondContact O-N 2.89Å; S534-Y561 PolarHBondContact OG-OH 3.41Å
535	S	90	Very high	69.5	Low	42 Å²	42	78.8 Å²	78.8	29%	0.294	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-80.7	148	176.9	85.6	0	0	0	0	111	D533 S537 S538 F539 T558	D533-S535 PolarHBondContact O-N 3.47Å; S535-S537 PolarHBondContact O-N 2.74Å; S535-S537 PolarHBondContact OG-N 2.72Å; S535-S538 PolarHBondContact O-OG 2.98Å; S535-S538 WeakPolarHBondContact OG-CB 3.35Å; S535-S538 PolarHBondContact OG-N 3.41Å; S535-S538 PolarHBondContact OG-OG 2.99Å; S535-F539 PolarHBondContact O-N 3.43Å; S535-T558 WeakPolarHBondContact CA-O 3.36Å
536	I	90.6	Very high	71.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-65.7	-31.6	172.9	-65.6	176.8	0	0	0	110.3	F539 L540 L549 F552 L557 T558 I563	I536-F539 PolarHBondContact O-N 2.92Å; I536-L540 HydrophobicContact CG2-CD1 3.66Å; I536-L540 HydrophobicContact CG2-CG 3.94Å; I536-L540 WeakPolarHBondContact O-CB 3Å; I536-L540 WeakPolarHBondContact O-CG 3.44Å; I536-L540 PolarHBondContact O-N 2.98Å; I536-L549 HydrophobicContact CG2-CD1 4.18Å; I536-F552 HydrophobicContact CD1-CB 4.3Å; I536-F552 HydrophobicContact CD1-CD1 4.09Å; I536-F552 HydrophobicContact CD1-CG 4.42Å; I536-F552 HydrophobicContact CG2-CB 4.06Å; I536-F552 HydrophobicContact CG2-CD1 4.24Å; I536-F552 HydrophobicContact CG2-CD2 4.07Å; I536-F552 HydrophobicContact CG2-CG 3.86Å; I536-L557 HydrophobicContact CD1-CB 3.79Å; I536-T558 PolarHBondContact N-O 2.97Å; I536-I563 HydrophobicContact CD1-CD1 3.91Å; I536-I563 HydrophobicContact CD1-CG1 4.19Å; I536-I563 HydrophobicContact CD1-CG2 4.03Å; I536-I563 HydrophobicContact CG1-CD1 3.91Å; I536-I563 HydrophobicContact CG1-CG1 4.38Å; I536-I563 HydrophobicContact CG2-CD1 4.5Å
537	S	89	Confident	74.2	Confident	60 Å²	60	72.7 Å²	72.7	42%	0.42	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-51.6	177.4	-172.2	0	0	0	0	113	S535 F539 L540 L541	S535-S537 PolarHBondContact O-N 2.74Å; S535-S537 PolarHBondContact OG-N 2.72Å; S537-F539 VanDerWaalsContact C-N 3.28Å; S537-F539 PolarHBondContact O-N 2.96Å; S537-L540 PolarHBondContact O-N 2.92Å; S537-L541 VanDerWaalsContact O-CB 3.27Å; S537-L541 WeakPolarHBondContact O-CB 3.38Å; S537-L541 PolarHBondContact O-N 3.11Å
538	S	88.4	Confident	76.6	Confident	29 Å²	29	68.4 Å²	68.4	20%	0.203	41%	0.408	C	S	.	.	H	α-helix	trans	-63.8	-32.9	178	50.8	0	0	0	0	112.5	D533 S535 R542	D533-S538 PolarHBondContact O-OG 2.81Å; S535-S538 PolarHBondContact O-OG 2.98Å; S535-S538 WeakPolarHBondContact OG-CB 3.35Å; S535-S538 PolarHBondContact OG-N 3.41Å; S535-S538 PolarHBondContact OG-OG 2.99Å; S538-R542 PolarHBondContact O-N 3.08Å
539	F	91.4	Very high	79	Confident	13 Å²	13	65.1 Å²	65.1	6%	0.057	39%	0.385	C	S	.	.	H	α-helix	trans	-69.6	-52.8	174.2	167.1	-104.9	0	0	0	112.8	S535 I536 S537 L541 R542 L543 M560 I584 G587 I588	S535-F539 PolarHBondContact O-N 3.43Å; I536-F539 PolarHBondContact O-N 2.92Å; S537-F539 VanDerWaalsContact C-N 3.28Å; S537-F539 PolarHBondContact O-N 2.96Å; F539-L541 VanDerWaalsContact C-N 3.26Å; F539-L541 PolarHBondContact O-N 3.45Å; F539-R542 WeakPolarHBondContact O-CB 3.11Å; F539-R542 PolarHBondContact O-N 3.28Å; F539-L543 HydrophobicContact CD1-CD1 4.33Å; F539-L543 HydrophobicContact CD2-CD1 4.46Å; F539-L543 HydrophobicContact CE1-CD1 3.67Å; F539-L543 HydrophobicContact CE2-CD1 3.83Å; F539-L543 HydrophobicContact CE2-CG 4.26Å; F539-L543 HydrophobicContact CZ-CD1 3.4Å; F539-L543 HydrophobicContact CZ-CG 4.3Å; F539-L543 PolarHBondContact O-N 3.29Å; F539-L543 VanDerWaalsContact O-N 3.14Å; F539-M560 HydrophobicContact CB-CE 3.58Å; F539-M560 HydrophobicContact CD1-CE 3.31Å; F539-M560 HydrophobicContact CD2-CE 3.29Å; F539-M560 HydrophobicContact CE1-CE 3.64Å; F539-M560 HydrophobicContact CE2-CE 3.62Å; F539-M560 HydrophobicContact CG-CE 3.09Å; F539-M560 HydrophobicContact CZ-CE 3.77Å; F539-I584 HydrophobicContact CE1-CG2 4.32Å; F539-G587 WeakPolarHBondContact CE2-O 3.28Å; F539-I588 HydrophobicContact CE1-CG1 4.23Å; F539-I588 HydrophobicContact CZ-CG1 3.9Å
540	L	90.8	Very high	81.2	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.9	-35.2	179.6	-70	177.7	0	0	0	111.7	I536 S537 R542 L543 G544 C545 A546 C548 L549 F552 I584	I536-L540 HydrophobicContact CG2-CD1 3.66Å; I536-L540 HydrophobicContact CG2-CG 3.94Å; I536-L540 WeakPolarHBondContact O-CB 3Å; I536-L540 WeakPolarHBondContact O-CG 3.44Å; I536-L540 PolarHBondContact O-N 2.98Å; S537-L540 PolarHBondContact O-N 2.92Å; L540-R542 VanDerWaalsContact C-N 3.31Å; L540-R542 PolarHBondContact O-N 3.22Å; L540-L543 PolarHBondContact O-N 3.35Å; L540-G544 PolarHBondContact O-N 3.44Å; L540-G544 VanDerWaalsContact O-N 3.16Å; L540-C545 HydrophobicContact CD2-CB 4.01Å; L540-C545 CarbonylContact O-C 3.57Å; L540-C545 PolarHBondContact O-N 3.21Å; L540-A546 PolarHBondContact O-N 3.37Å; L540-C548 HydrophobicContact CD1-CB 4.38Å; L540-L549 HydrophobicContact CD1-CB 4.1Å; L540-L549 HydrophobicContact CD1-CD1 4.17Å; L540-F552 HydrophobicContact CD1-CD2 3.77Å; L540-F552 HydrophobicContact CD1-CE2 3.9Å; L540-F552 HydrophobicContact CD2-CE2 4.22Å; L540-I584 HydrophobicContact CD2-CD1 3.77Å; L540-I584 HydrophobicContact CD2-CG1 3.8Å; L540-I584 HydrophobicContact CD2-CG2 4.47Å
541	L	90.2	Very high	83.8	Confident	123 Å²	123	59.8 Å²	59.8	64%	0.644	36%	0.357	S	S	*	.	H	α-helix	trans	-60.2	-39.8	172.6	-172.1	67.1	0	0	0	112.1	S537 F539 G544 A546	S537-L541 VanDerWaalsContact O-CB 3.27Å; S537-L541 WeakPolarHBondContact O-CB 3.38Å; S537-L541 PolarHBondContact O-N 3.11Å; F539-L541 VanDerWaalsContact C-N 3.26Å; F539-L541 PolarHBondContact O-N 3.45Å; L541-G544 PolarHBondContact O-N 2.95Å; L541-A546 HydrophobicContact CD1-CB 4.18Å
542	R	88.4	Confident	86	Confident	140 Å²	140	54.4 Å²	54.4	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-68.6	-31.8	177.2	-169.3	-176.6	-57.5	164.3	2.4	113.2	M532 S538 F539 L540 G544	M532-R542 PolarHBondContact SD-NH1 3.04Å; M532-R542 PolarHBondContact SD-NH2 2.79Å; S538-R542 PolarHBondContact O-N 3.08Å; F539-R542 WeakPolarHBondContact O-CB 3.11Å; F539-R542 PolarHBondContact O-N 3.28Å; L540-R542 VanDerWaalsContact C-N 3.31Å; L540-R542 PolarHBondContact O-N 3.22Å; R542-G544 VanDerWaalsContact C-N 3.31Å
543	L	88.7	Confident	87.6	Confident	47 Å²	47	52.6 Å²	52.6	25%	0.246	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.5	175.6	-63	-176.1	0	0	0	113.7	F539 L540 C545 I583 I584	F539-L543 HydrophobicContact CD1-CD1 4.33Å; F539-L543 HydrophobicContact CD2-CD1 4.46Å; F539-L543 HydrophobicContact CE1-CD1 3.67Å; F539-L543 HydrophobicContact CE2-CD1 3.83Å; F539-L543 HydrophobicContact CE2-CG 4.26Å; F539-L543 HydrophobicContact CZ-CD1 3.4Å; F539-L543 HydrophobicContact CZ-CG 4.3Å; F539-L543 PolarHBondContact O-N 3.29Å; F539-L543 VanDerWaalsContact O-N 3.14Å; L540-L543 PolarHBondContact O-N 3.35Å; L543-C545 HydrophobicContact CB-CB 4.35Å; L543-C545 PolarHBondContact O-N 3.01Å; L543-I583 HydrophobicContact CB-CG2 4.42Å; L543-I584 HydrophobicContact CD1-CG1 4.45Å
544	G	87.7	Confident	88.7	Confident	65 Å²	65	50.5 Å²	50.5	67%	0.67	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	9.4	-170.5	0	0	0	0	0	114	L540 L541 R542	L540-G544 PolarHBondContact O-N 3.44Å; L540-G544 VanDerWaalsContact O-N 3.16Å; L541-G544 PolarHBondContact O-N 2.95Å; R542-G544 VanDerWaalsContact C-N 3.31Å
545	C	88.7	Confident	89	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.02	34%	0.335	C	S	.	.			trans	-98.8	27.3	-177.2	-56.8	0	0	0	0	112.8	L540 L543 G547 C548 F580 I584	L540-C545 HydrophobicContact CD2-CB 4.01Å; L540-C545 CarbonylContact O-C 3.57Å; L540-C545 PolarHBondContact O-N 3.21Å; L543-C545 HydrophobicContact CB-CB 4.35Å; L543-C545 PolarHBondContact O-N 3.01Å; C545-G547 PolarHBondContact O-N 3.36Å; C545-G547 VanDerWaalsContact O-N 3.16Å; C545-C548 VanDerWaalsContact O-CB 3.3Å; C545-C548 WeakPolarHBondContact O-CB 3.39Å; C545-C548 PolarHBondContact O-N 3.28Å; C545-F580 HydrophobicContact CB-CD1 4.41Å; C545-I584 HydrophobicContact CB-CD1 4.19Å; C545-I584 HydrophobicContact CB-CG1 4.13Å
546	A	87.2	Confident	88.7	Confident	47 Å²	47	55.5 Å²	55.5	39%	0.388	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-56.1	-34	-174.5	0	0	0	0	0	113.6	L540 L541 C548 L549	L540-A546 PolarHBondContact O-N 3.37Å; L541-A546 HydrophobicContact CD1-CB 4.18Å; A546-C548 PolarHBondContact O-N 3.26Å; A546-C548 VanDerWaalsContact O-N 3.15Å; A546-L549 VanDerWaalsContact O-CB 3.28Å; A546-L549 WeakPolarHBondContact O-CB 3.27Å; A546-L549 PolarHBondContact O-N 3.04Å; A546-L549 VanDerWaalsContact O-N 3.12Å
547	G	86.8	Confident	88.6	Confident	67 Å²	67	56.2 Å²	56.2	69%	0.691	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-66.8	-6.7	174.3	0	0	0	0	0	115.1	C545	C545-G547 PolarHBondContact O-N 3.36Å; C545-G547 VanDerWaalsContact O-N 3.16Å
548	C	88.6	Confident	88.5	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.014	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-87.9	-5	172.1	-64.8	0	0	0	0	113.4	L540 C545 A546 D550 Y551 F552 F580 I584	L540-C548 HydrophobicContact CD1-CB 4.38Å; C545-C548 VanDerWaalsContact O-CB 3.3Å; C545-C548 WeakPolarHBondContact O-CB 3.39Å; C545-C548 PolarHBondContact O-N 3.28Å; A546-C548 PolarHBondContact O-N 3.26Å; A546-C548 VanDerWaalsContact O-N 3.15Å; C548-D550 VanDerWaalsContact C-N 3.28Å; C548-D550 PolarHBondContact O-N 2.96Å; C548-Y551 HydrophobicContact CB-CD2 4.37Å; C548-Y551 WeakPolarHBondContact O-CD2 3.48Å; C548-Y551 PolarHBondContact O-N 3.4Å; C548-F552 WeakPolarHBondContact O-CD2 3.34Å; C548-F580 VanDerWaalsContact SG-CB 3.57Å; C548-F580 VanDerWaalsContact SG-CD2 3.52Å; C548-F580 VanDerWaalsContact SG-CG 3.53Å; C548-I584 HydrophobicContact CB-CD1 3.94Å
549	L	90.1	Very high	88.6	Confident	42 Å²	42	58.7 Å²	58.7	22%	0.22	36%	0.357	C	S	.	.	H	α-helix	trans	-58.8	-38.2	-173.2	-178.8	59.8	0	0	0	112.9	I536 L540 A546 Y551 F552 T553	I536-L549 HydrophobicContact CG2-CD1 4.18Å; L540-L549 HydrophobicContact CD1-CB 4.1Å; L540-L549 HydrophobicContact CD1-CD1 4.17Å; A546-L549 VanDerWaalsContact O-CB 3.28Å; A546-L549 WeakPolarHBondContact O-CB 3.27Å; A546-L549 PolarHBondContact O-N 3.04Å; A546-L549 VanDerWaalsContact O-N 3.12Å; L549-Y551 VanDerWaalsContact C-N 3.26Å; L549-Y551 PolarHBondContact O-N 3.04Å; L549-F552 PolarHBondContact O-N 2.94Å; L549-T553 HydrophobicContact CD1-CG2 4.02Å; L549-T553 HydrophobicContact CG-CG2 4.09Å; L549-T553 PolarHBondContact O-N 3.29Å; L549-T553 PolarHBondContact O-OG1 3.4Å
550	D	88.8	Confident	88.5	Confident	118 Å²	118	58.1 Å²	58.1	63%	0.631	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-30.8	-177.1	-64.1	-31.5	0	0	0	113.2	C548 F552 T553 A554	C548-D550 VanDerWaalsContact C-N 3.28Å; C548-D550 PolarHBondContact O-N 2.96Å; D550-F552 VanDerWaalsContact C-N 3.3Å; D550-F552 PolarHBondContact O-N 3.38Å; D550-T553 WeakPolarHBondContact CA-OG1 3.31Å; D550-T553 PolarHBondContact O-OG1 2.98Å; D550-A554 WeakPolarHBondContact O-CB 3.32Å; D550-A554 PolarHBondContact O-N 3.46Å
551	Y	91	Very high	88.2	Confident	88 Å²	88	64.1 Å²	64.1	35%	0.345	38%	0.378	S	S	.	.	H	α-helix	trans	-68.2	-30	176.1	-60.1	-79.9	0	0	0	112.7	C548 L549 L574 K575 I576	C548-Y551 HydrophobicContact CB-CD2 4.37Å; C548-Y551 WeakPolarHBondContact O-CD2 3.48Å; C548-Y551 PolarHBondContact O-N 3.4Å; L549-Y551 VanDerWaalsContact C-N 3.26Å; L549-Y551 PolarHBondContact O-N 3.04Å; Y551-L574 WeakPolarHBondContact CD1-O 3.43Å; Y551-K575 HydrophobicContact CD1-CB 4.43Å; Y551-K575 HydrophobicContact CE1-CB 4.46Å; Y551-K575 VanDerWaalsContact CE1-O 3.28Å; Y551-K575 WeakPolarHBondContact CE1-O 3.38Å; Y551-I576 HydrophobicContact CD2-CG1 4.16Å; Y551-I576 HydrophobicContact CG-CG1 3.96Å
552	F	91.1	Very high	88.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-80.6	-48.7	175.8	-67.4	-86	0	0	0	110.7	I536 L540 C548 L549 D550 A554 Q555 G556 L557 I563 L571 L574 I576 I584	I536-F552 HydrophobicContact CD1-CB 4.3Å; I536-F552 HydrophobicContact CD1-CD1 4.09Å; I536-F552 HydrophobicContact CD1-CG 4.42Å; I536-F552 HydrophobicContact CG2-CB 4.06Å; I536-F552 HydrophobicContact CG2-CD1 4.24Å; I536-F552 HydrophobicContact CG2-CD2 4.07Å; I536-F552 HydrophobicContact CG2-CG 3.86Å; L540-F552 HydrophobicContact CD1-CD2 3.77Å; L540-F552 HydrophobicContact CD1-CE2 3.9Å; L540-F552 HydrophobicContact CD2-CE2 4.22Å; C548-F552 WeakPolarHBondContact O-CD2 3.34Å; L549-F552 PolarHBondContact O-N 2.94Å; D550-F552 VanDerWaalsContact C-N 3.3Å; D550-F552 PolarHBondContact O-N 3.38Å; F552-A554 VanDerWaalsContact C-N 3.31Å; F552-A554 PolarHBondContact O-N 3.48Å; F552-Q555 CarbonylContact O-C 3.55Å; F552-Q555 PolarHBondContact O-N 2.87Å; F552-G556 PolarHBondContact O-N 3.34Å; F552-L557 CarbonylContact C-O 3.34Å; F552-L557 HydrophobicContact CB-CB 4Å; F552-L557 HydrophobicContact CD1-CB 4.3Å; F552-L557 HydrophobicContact CD1-CD1 3.97Å; F552-L557 WeakPolarHBondContact O-CB 3.26Å; F552-L557 PolarHBondContact O-N 3.22Å; F552-I563 HydrophobicContact CD1-CG2 4.11Å; F552-I563 HydrophobicContact CE1-CD1 4.1Å; F552-I563 HydrophobicContact CE1-CG2 4.08Å; F552-L571 HydrophobicContact CE1-CD2 4.14Å; F552-L571 HydrophobicContact CZ-CD2 3.99Å; F552-L574 HydrophobicContact CD1-CD1 3.76Å; F552-L574 HydrophobicContact CE1-CD1 3.44Å; F552-L574 VanDerWaalsContact CE1-CD1 3.44Å; F552-L574 HydrophobicContact CZ-CD1 3.98Å; F552-I576 HydrophobicContact CD2-CD1 4.48Å; F552-I576 HydrophobicContact CE1-CD1 4.29Å; F552-I576 HydrophobicContact CE2-CD1 3.55Å; F552-I576 HydrophobicContact CE2-CG1 4.48Å; F552-I576 HydrophobicContact CZ-CD1 3.43Å; F552-I576 VanDerWaalsContact CZ-CD1 3.43Å; F552-I584 HydrophobicContact CE2-CD1 4.31Å; F552-I584 HydrophobicContact CZ-CG2 4.07Å
553	T	89	Confident	88	Confident	62 Å²	62	55.8 Å²	55.8	38%	0.38	34%	0.342	S	S	.	.	H	α-helix	trans	-66.6	-31.3	-178.1	56.9	0	0	0	0	112.5	L549 D550 Q555 G556	L549-T553 HydrophobicContact CD1-CG2 4.02Å; L549-T553 HydrophobicContact CG-CG2 4.09Å; L549-T553 PolarHBondContact O-N 3.29Å; L549-T553 PolarHBondContact O-OG1 3.4Å; D550-T553 WeakPolarHBondContact CA-OG1 3.31Å; D550-T553 PolarHBondContact O-OG1 2.98Å; T553-Q555 PolarHBondContact O-N 3.4Å; T553-G556 PolarHBondContact O-N 3.29Å
554	A	87.2	Confident	87.8	Confident	79 Å²	79	55.8 Å²	55.8	65%	0.653	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.1	171.6	0	0	0	0	0	114.1	D550 F552	D550-A554 WeakPolarHBondContact O-CB 3.32Å; D550-A554 PolarHBondContact O-N 3.46Å; F552-A554 VanDerWaalsContact C-N 3.31Å; F552-A554 PolarHBondContact O-N 3.48Å
555	Q	84.8	Confident	87.6	Confident	133 Å²	133	59 Å²	59	62%	0.621	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	11.4	173.1	-60.5	-61.6	-28.8	0	0	112.6	F552 T553 L557 L574	F552-Q555 CarbonylContact O-C 3.55Å; F552-Q555 PolarHBondContact O-N 2.87Å; T553-Q555 PolarHBondContact O-N 3.4Å; Q555-L557 HydrophobicContact CB-CD1 4.19Å; Q555-L557 HydrophobicContact CB-CG 4.12Å; Q555-L557 PolarHBondContact O-N 3.1Å; Q555-L574 HydrophobicContact CB-CD2 4.33Å; Q555-L574 HydrophobicContact CG-CD2 3.71Å
556	G	83.6	Confident	87.7	Confident	47 Å²	47	62 Å²	62	49%	0.485	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	8.6	-176	0	0	0	0	0	114.6	F552 T553 T558	F552-G556 PolarHBondContact O-N 3.34Å; T553-G556 PolarHBondContact O-N 3.29Å; G556-T558 PolarHBondContact O-N 3.31Å
557	L	88.9	Confident	87.7	Confident	15 Å²	15	62.9 Å²	62.9	8%	0.079	35%	0.352	C	S	.	.			trans	-79.8	118.7	177.8	-54.9	171.5	0	0	0	108.8	I536 F552 Q555 Q562 I563 Y566 L574	I536-L557 HydrophobicContact CD1-CB 3.79Å; F552-L557 CarbonylContact C-O 3.34Å; F552-L557 HydrophobicContact CB-CB 4Å; F552-L557 HydrophobicContact CD1-CB 4.3Å; F552-L557 HydrophobicContact CD1-CD1 3.97Å; F552-L557 WeakPolarHBondContact O-CB 3.26Å; F552-L557 PolarHBondContact O-N 3.22Å; Q555-L557 HydrophobicContact CB-CD1 4.19Å; Q555-L557 HydrophobicContact CB-CG 4.12Å; Q555-L557 PolarHBondContact O-N 3.1Å; L557-Q562 HydrophobicContact CD2-CB 3.89Å; L557-I563 HydrophobicContact CD1-CG2 4.01Å; L557-Y566 HydrophobicContact CD1-CE2 4.12Å; L557-L574 HydrophobicContact CD1-CD1 4.3Å; L557-L574 HydrophobicContact CD1-CD2 4.1Å
558	T	87.8	Confident	87.6	Confident	83 Å²	83	62.5 Å²	62.5	51%	0.509	33%	0.333	S	S	.	.			trans	-133.9	-19.7	-176.2	52.8	0	0	0	0	113.1	S535 I536 G556	S535-T558 WeakPolarHBondContact CA-O 3.36Å; I536-T558 PolarHBondContact N-O 2.97Å; G556-T558 PolarHBondContact O-N 3.31Å
559	N	89.8	Confident	87.5	Confident	58 Å²	58	68.4 Å²	68.4	31%	0.31	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-121.6	136.7	-175.2	-170.3	-46.5	0	0	0	111.3	S534 Y561 Q562	S534-N559 CarbonylContact O-C 3.54Å; S534-N559 WeakPolarHBondContact O-CA 3.4Å; S534-N559 PolarHBondContact O-OD1 2.96Å; S534-N559 VanDerWaalsContact O-OD1 3.11Å; N559-Y561 VanDerWaalsContact C-N 3.25Å; N559-Y561 PolarHBondContact O-N 3.41Å; N559-Y561 WeakPolarHBondContact OD1-CD2 3.44Å; N559-Y561 PolarHBondContact OD1-N 3.21Å; N559-Y561 VanDerWaalsContact OD1-N 3.08Å; N559-Q562 HydrophobicContact CB-CG 4.31Å; N559-Q562 VanDerWaalsContact O-CB 3.26Å; N559-Q562 WeakPolarHBondContact O-CB 3.35Å; N559-Q562 WeakPolarHBondContact O-CG 3.45Å; N559-Q562 PolarHBondContact O-N 3.07Å; N559-Q562 PolarHBondContact O-OE1 3.12Å
560	M	89.2	Confident	87.4	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-52.5	-38	-179.5	176.5	51	65.9	0	0	113.5	S534 F539 Q562 I563 E564 H591	S534-M560 WeakPolarHBondContact O-CB 3.41Å; S534-M560 PolarHBondContact O-N 2.89Å; F539-M560 HydrophobicContact CB-CE 3.58Å; F539-M560 HydrophobicContact CD1-CE 3.31Å; F539-M560 HydrophobicContact CD2-CE 3.29Å; F539-M560 HydrophobicContact CE1-CE 3.64Å; F539-M560 HydrophobicContact CE2-CE 3.62Å; F539-M560 HydrophobicContact CG-CE 3.09Å; F539-M560 HydrophobicContact CZ-CE 3.77Å; M560-Q562 PolarHBondContact O-N 3.26Å; M560-I563 HydrophobicContact CE-CD1 4.07Å; M560-I563 HydrophobicContact CE-CG1 4.45Å; M560-I563 VanDerWaalsContact O-CG1 3.31Å; M560-I563 WeakPolarHBondContact O-CG1 3.29Å; M560-I563 PolarHBondContact O-N 3Å; M560-I563 HydrophobicContact SD-CD1 4.08Å; M560-I563 HydrophobicContact SD-CG1 3.83Å; M560-E564 PolarHBondContact O-N 3.29Å; M560-E564 VanDerWaalsContact O-N 3.1Å; M560-H591 WeakPolarHBondContact CG-CD2 3.29Å; M560-H591 WeakPolarHBondContact CG-NE2 3.46Å
561	Y	85.8	Confident	87.3	Confident	127 Å²	127	62.8 Å²	62.8	50%	0.498	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-60.7	-20.6	177.7	-56.7	-58.4	0	0	0	113.4	S534 N559 I563	S534-Y561 PolarHBondContact OG-OH 3.41Å; N559-Y561 VanDerWaalsContact C-N 3.25Å; N559-Y561 PolarHBondContact O-N 3.41Å; N559-Y561 WeakPolarHBondContact OD1-CD2 3.44Å; N559-Y561 PolarHBondContact OD1-N 3.21Å; N559-Y561 VanDerWaalsContact OD1-N 3.08Å; Y561-I563 VanDerWaalsContact C-N 3.34Å
562	Q	86.3	Confident	87.1	Confident	88 Å²	88	61.3 Å²	61.3	41%	0.411	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-77.4	-20.6	177	-56.8	172.5	-59.7	0	0	112.7	L557 N559 M560 Y566	L557-Q562 HydrophobicContact CD2-CB 3.89Å; N559-Q562 HydrophobicContact CB-CG 4.31Å; N559-Q562 VanDerWaalsContact O-CB 3.26Å; N559-Q562 WeakPolarHBondContact O-CB 3.35Å; N559-Q562 WeakPolarHBondContact O-CG 3.45Å; N559-Q562 PolarHBondContact O-N 3.07Å; N559-Q562 PolarHBondContact O-OE1 3.12Å; M560-Q562 PolarHBondContact O-N 3.26Å; Q562-Y566 VanDerWaalsContact O-CE1 3.23Å; Q562-Y566 WeakPolarHBondContact O-CE1 3.3Å
563	I	87.6	Confident	86.9	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	1	-176.9	62.2	169.2	0	0	0	113.7	I536 F552 L557 M560 Y561 N565 Y566 I588	I536-I563 HydrophobicContact CD1-CD1 3.91Å; I536-I563 HydrophobicContact CD1-CG1 4.19Å; I536-I563 HydrophobicContact CD1-CG2 4.03Å; I536-I563 HydrophobicContact CG1-CD1 3.91Å; I536-I563 HydrophobicContact CG1-CG1 4.38Å; I536-I563 HydrophobicContact CG2-CD1 4.5Å; F552-I563 HydrophobicContact CD1-CG2 4.11Å; F552-I563 HydrophobicContact CE1-CD1 4.1Å; F552-I563 HydrophobicContact CE1-CG2 4.08Å; L557-I563 HydrophobicContact CD1-CG2 4.01Å; M560-I563 HydrophobicContact CE-CD1 4.07Å; M560-I563 HydrophobicContact CE-CG1 4.45Å; M560-I563 VanDerWaalsContact O-CG1 3.31Å; M560-I563 WeakPolarHBondContact O-CG1 3.29Å; M560-I563 PolarHBondContact O-N 3Å; M560-I563 HydrophobicContact SD-CD1 4.08Å; M560-I563 HydrophobicContact SD-CG1 3.83Å; Y561-I563 VanDerWaalsContact C-N 3.34Å; I563-N565 PolarHBondContact O-N 3.15Å; I563-Y566 HydrophobicContact CB-CD1 4.19Å; I563-Y566 HydrophobicContact CB-CG 4.16Å; I563-Y566 HydrophobicContact CG2-CD1 4.29Å; I563-Y566 HydrophobicContact CG2-CD2 4.25Å; I563-Y566 HydrophobicContact CG2-CE1 4.24Å; I563-Y566 HydrophobicContact CG2-CE2 4.23Å; I563-Y566 HydrophobicContact CG2-CG 4.29Å; I563-Y566 WeakPolarHBondContact O-CB 3.32Å; I563-Y566 PolarHBondContact O-N 2.88Å; I563-I588 HydrophobicContact CB-CD1 4.44Å; I563-I588 HydrophobicContact CD1-CD1 4.08Å; I563-I588 HydrophobicContact CD1-CG1 4.27Å; I563-I588 HydrophobicContact CG1-CD1 4.41Å; I563-I588 WeakPolarHBondContact O-CG2 3.35Å
564	E	83.8	Confident	86.7	Confident	47 Å²	47	68 Å²	68	22%	0.22	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.4	-178	-176.9	170.4	-155.3	0	0	114.4	M560 R592	M560-E564 PolarHBondContact O-N 3.29Å; M560-E564 VanDerWaalsContact O-N 3.1Å; E564-R592 HydrophobicContact CG-CG 4.35Å
565	N	84.8	Confident	86.7	Confident	131 Å²	131	72.5 Å²	72.5	70%	0.701	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	6.9	178.8	-67.4	-53.9	0	0	0	114.1	I563 N567	I563-N565 PolarHBondContact O-N 3.15Å; N565-N567 PolarHBondContact O-N 3.16Å
566	Y	88.9	Confident	86.9	Confident	66 Å²	66	66.3 Å²	66.3	26%	0.259	33%	0.329	S	S	.	.			trans	-70.1	129.5	-179.2	-85.4	40.5	0	0	0	110.8	L557 Q562 I563 D570 L571 L574	L557-Y566 HydrophobicContact CD1-CE2 4.12Å; Q562-Y566 VanDerWaalsContact O-CE1 3.23Å; Q562-Y566 WeakPolarHBondContact O-CE1 3.3Å; I563-Y566 HydrophobicContact CB-CD1 4.19Å; I563-Y566 HydrophobicContact CB-CG 4.16Å; I563-Y566 HydrophobicContact CG2-CD1 4.29Å; I563-Y566 HydrophobicContact CG2-CD2 4.25Å; I563-Y566 HydrophobicContact CG2-CE1 4.24Å; I563-Y566 HydrophobicContact CG2-CE2 4.23Å; I563-Y566 HydrophobicContact CG2-CG 4.29Å; I563-Y566 WeakPolarHBondContact O-CB 3.32Å; I563-Y566 PolarHBondContact O-N 2.88Å; Y566-D570 HydrophobicContact CD2-CB 3.57Å; Y566-D570 HydrophobicContact CE2-CB 4.13Å; Y566-D570 HydrophobicContact CG-CB 3.85Å; Y566-L571 HydrophobicContact CD2-CD2 4.29Å; Y566-L574 HydrophobicContact CD2-CD1 4.33Å; Y566-L574 HydrophobicContact CE2-CD1 4.03Å; Y566-L574 HydrophobicContact CE2-CG 4.43Å
567	N	87.4	Confident	87.2	Confident	67 Å²	67	65.9 Å²	65.9	36%	0.358	32%	0.318	S	S	.	.			trans	-91.7	-179.8	171.4	68.3	51	0	0	0	111	N565 E569 D570 L571	N565-N567 PolarHBondContact O-N 3.16Å; N567-E569 VanDerWaalsContact C-N 3.27Å; N567-E569 PolarHBondContact O-N 3.27Å; N567-E569 VanDerWaalsContact OD1-CA 3.29Å; N567-E569 WeakPolarHBondContact OD1-CA 3.23Å; N567-E569 WeakPolarHBondContact OD1-CB 3.36Å; N567-E569 PolarHBondContact OD1-N 3.46Å; N567-D570 PolarHBondContact N-OD2 3.27Å; N567-D570 PolarHBondContact ND2-OD2 3.16Å; N567-D570 PolarHBondContact O-N 2.85Å; N567-D570 PolarHBondContact OD1-N 3.43Å; N567-D570 PolarHBondContact OD1-OD2 3.26Å; N567-L571 PolarHBondContact O-N 3.14Å
568	L	85.9	Confident	86.9	Confident	58 Å²	58	69.9 Å²	69.9	30%	0.304	34%	0.343	S	S	.	.	H	α-helix	trans	-65	-29.9	-179	-167	69.6	0	0	0	112.8	S572 Q581 W585	L568-S572 PolarHBondContact O-N 3.44Å; L568-S572 VanDerWaalsContact O-N 3.08Å; L568-Q581 HydrophobicContact CD1-CB 4.14Å; L568-W585 HydrophobicContact CD1-CB 4.1Å; L568-W585 HydrophobicContact CD1-CG 4.3Å
569	E	85.8	Confident	86.8	Confident	126 Å²	126	71.4 Å²	71.4	59%	0.589	34%	0.344	S	S	*	.	H	α-helix	trans	-72.4	-35.7	175.7	-49.7	178.3	179.8	0	0	111.7	N567 S572 R573	N567-E569 VanDerWaalsContact C-N 3.27Å; N567-E569 PolarHBondContact O-N 3.27Å; N567-E569 VanDerWaalsContact OD1-CA 3.29Å; N567-E569 WeakPolarHBondContact OD1-CA 3.23Å; N567-E569 WeakPolarHBondContact OD1-CB 3.36Å; N567-E569 PolarHBondContact OD1-N 3.46Å; E569-S572 PolarHBondContact O-N 3.03Å; E569-S572 PolarHBondContact O-OG 3.07Å; E569-R573 VanDerWaalsContact O-CG 3.32Å; E569-R573 WeakPolarHBondContact O-CG 3.45Å; E569-R573 PolarHBondContact O-N 2.88Å; E569-R573 VanDerWaalsContact O-N 3.09Å
570	D	87.9	Confident	86.8	Confident	42 Å²	42	72 Å²	72	23%	0.225	34%	0.344	C	S	.	.	H	α-helix	trans	-66.2	-40.1	174.8	-58.4	-45.8	0	0	0	111.2	Y566 N567 S572 R573 L574	Y566-D570 HydrophobicContact CD2-CB 3.57Å; Y566-D570 HydrophobicContact CE2-CB 4.13Å; Y566-D570 HydrophobicContact CG-CB 3.85Å; N567-D570 PolarHBondContact N-OD2 3.27Å; N567-D570 PolarHBondContact ND2-OD2 3.16Å; N567-D570 PolarHBondContact O-N 2.85Å; N567-D570 PolarHBondContact OD1-N 3.43Å; N567-D570 PolarHBondContact OD1-OD2 3.26Å; D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 2.97Å; D570-R573 WeakPolarHBondContact O-CB 3.5Å; D570-R573 PolarHBondContact O-N 3.24Å; D570-L574 PolarHBondContact O-N 3.46Å
571	L	87.4	Confident	86.8	Confident	0 Å²	0	73 Å²	73	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.5	-31.5	174.4	-65.3	173	0	0	0	112.8	F552 Y566 N567 L574 I576 I584 W585 I588	F552-L571 HydrophobicContact CE1-CD2 4.14Å; F552-L571 HydrophobicContact CZ-CD2 3.99Å; Y566-L571 HydrophobicContact CD2-CD2 4.29Å; N567-L571 PolarHBondContact O-N 3.14Å; L571-L574 HydrophobicContact CD2-CD1 4.15Å; L571-L574 PolarHBondContact O-N 2.99Å; L571-I576 HydrophobicContact CD2-CD1 4.11Å; L571-I584 HydrophobicContact CD1-CG2 4.15Å; L571-I584 HydrophobicContact CD2-CG2 4.03Å; L571-W585 HydrophobicContact CD1-CB 3.65Å; L571-W585 HydrophobicContact CD1-CG 4.44Å; L571-I588 HydrophobicContact CD1-CD1 4.4Å; L571-I588 HydrophobicContact CD2-CD1 4.33Å
572	S	85.4	Confident	87	Confident	58 Å²	58	72.4 Å²	72.4	41%	0.406	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-33.1	174	82.7	0	0	0	0	112.2	L568 E569 D570 L574 K575	L568-S572 PolarHBondContact O-N 3.44Å; L568-S572 VanDerWaalsContact O-N 3.08Å; E569-S572 PolarHBondContact O-N 3.03Å; E569-S572 PolarHBondContact O-OG 3.07Å; D570-S572 VanDerWaalsContact C-N 3.33Å; D570-S572 PolarHBondContact O-N 2.97Å; S572-L574 VanDerWaalsContact C-N 3.27Å; S572-L574 PolarHBondContact O-N 3.45Å; S572-K575 PolarHBondContact O-N 3.43Å; S572-K575 VanDerWaalsContact O-N 3.12Å
573	R	87.4	Confident	87.2	Confident	184 Å²	184	72 Å²	72	69%	0.694	35%	0.35	S	S	*	.	H	α-helix	trans	-64.6	-27.8	172.7	-67.5	168	-167.9	-137.7	4.9	113.2	E569 D570 K575	E569-R573 VanDerWaalsContact O-CG 3.32Å; E569-R573 WeakPolarHBondContact O-CG 3.45Å; E569-R573 PolarHBondContact O-N 2.88Å; E569-R573 VanDerWaalsContact O-N 3.09Å; D570-R573 WeakPolarHBondContact O-CB 3.5Å; D570-R573 PolarHBondContact O-N 3.24Å; R573-K575 PolarHBondContact O-N 3.29Å
574	L	85.3	Confident	87.4	Confident	18 Å²	18	72 Å²	72	9%	0.094	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.1	173.8	-64.9	179.9	0	0	0	113.9	Y551 F552 Q555 L557 Y566 D570 L571 S572 I576	Y551-L574 WeakPolarHBondContact CD1-O 3.43Å; F552-L574 HydrophobicContact CD1-CD1 3.76Å; F552-L574 HydrophobicContact CE1-CD1 3.44Å; F552-L574 VanDerWaalsContact CE1-CD1 3.44Å; F552-L574 HydrophobicContact CZ-CD1 3.98Å; Q555-L574 HydrophobicContact CB-CD2 4.33Å; Q555-L574 HydrophobicContact CG-CD2 3.71Å; L557-L574 HydrophobicContact CD1-CD1 4.3Å; L557-L574 HydrophobicContact CD1-CD2 4.1Å; Y566-L574 HydrophobicContact CD2-CD1 4.33Å; Y566-L574 HydrophobicContact CE2-CD1 4.03Å; Y566-L574 HydrophobicContact CE2-CG 4.43Å; D570-L574 PolarHBondContact O-N 3.46Å; L571-L574 HydrophobicContact CD2-CD1 4.15Å; L571-L574 PolarHBondContact O-N 2.99Å; S572-L574 VanDerWaalsContact C-N 3.27Å; S572-L574 PolarHBondContact O-N 3.45Å; L574-I576 HydrophobicContact CB-CD1 3.81Å; L574-I576 HydrophobicContact CB-CG1 3.88Å; L574-I576 HydrophobicContact CD1-CD1 3.82Å; L574-I576 HydrophobicContact CG-CD1 4.47Å; L574-I576 PolarHBondContact O-N 3Å
575	K	86.8	Confident	87.8	Confident	174 Å²	174	74.3 Å²	74.3	76%	0.757	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	22.3	-176.2	-54.4	-179.1	179	178.2	0	114.6	Y551 S572 R573	Y551-K575 HydrophobicContact CD1-CB 4.43Å; Y551-K575 HydrophobicContact CE1-CB 4.46Å; Y551-K575 VanDerWaalsContact CE1-O 3.28Å; Y551-K575 WeakPolarHBondContact CE1-O 3.38Å; S572-K575 PolarHBondContact O-N 3.43Å; S572-K575 VanDerWaalsContact O-N 3.12Å; R573-K575 PolarHBondContact O-N 3.29Å
576	I	88.9	Confident	88	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.015	35%	0.348	C	S	.	.			trans	-64	138.6	172.5	-63.4	166.4	0	0	0	108.6	Y551 F552 L571 L574 F580 Q581 I584	Y551-I576 HydrophobicContact CD2-CG1 4.16Å; Y551-I576 HydrophobicContact CG-CG1 3.96Å; F552-I576 HydrophobicContact CD2-CD1 4.48Å; F552-I576 HydrophobicContact CE1-CD1 4.29Å; F552-I576 HydrophobicContact CE2-CD1 3.55Å; F552-I576 HydrophobicContact CE2-CG1 4.48Å; F552-I576 HydrophobicContact CZ-CD1 3.43Å; F552-I576 VanDerWaalsContact CZ-CD1 3.43Å; L571-I576 HydrophobicContact CD2-CD1 4.11Å; L574-I576 HydrophobicContact CB-CD1 3.81Å; L574-I576 HydrophobicContact CB-CG1 3.88Å; L574-I576 HydrophobicContact CD1-CD1 3.82Å; L574-I576 HydrophobicContact CG-CD1 4.47Å; L574-I576 PolarHBondContact O-N 3Å; I576-F580 HydrophobicContact CG2-CB 3.97Å; I576-Q581 HydrophobicContact CB-CG 4.17Å; I576-Q581 HydrophobicContact CG2-CG 4.12Å; I576-Q581 PolarHBondContact O-NE2 3.23Å; I576-I584 HydrophobicContact CD1-CD1 4.47Å; I576-I584 HydrophobicContact CG2-CD1 4.12Å
577	P	89.4	Confident	88.1	Confident	37 Å²	37	70.8 Å²	70.8	24%	0.24	34%	0.338	C	S	.	.			trans	-58.6	142.8	175.9	-23.5	33.6	0	0	0	112.8	E579 F580 Q581	P577-E579 HydrophobicContact CB-CG 4.26Å; P577-E579 VanDerWaalsContact CB-OE1 3.29Å; P577-E579 WeakPolarHBondContact CB-OE1 3.35Å; P577-E579 WeakPolarHBondContact CB-OE2 3.5Å; P577-E579 PolarHBondContact O-N 3.25Å; P577-F580 HydrophobicContact CB-CD2 4.01Å; P577-F580 HydrophobicContact CG-CD2 4.16Å; P577-F580 PolarHBondContact O-N 3.19Å; P577-Q581 PolarHBondContact O-N 3.19Å
578	T	83.6	Confident	88.2	Confident	99 Å²	99	67.9 Å²	67.9	61%	0.607	32%	0.322	S	S	*	.	H	α-helix	trans	-63.9	-26.8	-170.3	47.4	0	0	0	0	113.2	F580	T578-F580 PolarHBondContact O-N 3.22Å
579	E	85.6	Confident	88.2	Confident	116 Å²	116	67.7 Å²	67.7	54%	0.542	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-27.6	172.8	64.3	-89.3	-150.9	0	0	113.6	P577 I583	P577-E579 HydrophobicContact CB-CG 4.26Å; P577-E579 VanDerWaalsContact CB-OE1 3.29Å; P577-E579 WeakPolarHBondContact CB-OE1 3.35Å; P577-E579 WeakPolarHBondContact CB-OE2 3.5Å; P577-E579 PolarHBondContact O-N 3.25Å; E579-I583 WeakPolarHBondContact O-CD1 3.4Å
580	F	90.1	Very high	88.2	Confident	70 Å²	70	66.1 Å²	66.1	31%	0.307	31%	0.313	S	S	.	.	H	α-helix	trans	-99.3	-25.1	179.1	-60.3	-63.2	0	0	0	113.5	C545 C548 I576 P577 T578 H582 I583 I584	C545-F580 HydrophobicContact CB-CD1 4.41Å; C548-F580 VanDerWaalsContact SG-CB 3.57Å; C548-F580 VanDerWaalsContact SG-CD2 3.52Å; C548-F580 VanDerWaalsContact SG-CG 3.53Å; I576-F580 HydrophobicContact CG2-CB 3.97Å; P577-F580 HydrophobicContact CB-CD2 4.01Å; P577-F580 HydrophobicContact CG-CD2 4.16Å; P577-F580 PolarHBondContact O-N 3.19Å; T578-F580 PolarHBondContact O-N 3.22Å; F580-H582 PolarHBondContact O-N 3.34Å; F580-I583 PolarHBondContact O-N 3.12Å; F580-I583 VanDerWaalsContact O-N 3.14Å; F580-I584 HydrophobicContact CB-CD1 4.11Å; F580-I584 WeakPolarHBondContact O-CB 3.32Å; F580-I584 WeakPolarHBondContact O-CG1 3.45Å; F580-I584 PolarHBondContact O-N 3.25Å
581	Q	89.3	Confident	88	Confident	22 Å²	22	65.1 Å²	65.1	10%	0.103	31%	0.307	C	S	.	.	H	α-helix	trans	-53.1	-49	-178.7	-72	176.2	18.3	0	0	112.6	L568 I576 P577 W585	L568-Q581 HydrophobicContact CD1-CB 4.14Å; I576-Q581 HydrophobicContact CB-CG 4.17Å; I576-Q581 HydrophobicContact CG2-CG 4.12Å; I576-Q581 PolarHBondContact O-NE2 3.23Å; P577-Q581 PolarHBondContact O-N 3.19Å; Q581-W585 VanDerWaalsContact O-CB 3.26Å; Q581-W585 WeakPolarHBondContact O-CB 3.47Å; Q581-W585 PolarHBondContact O-N 3.25Å
582	H	88.8	Confident	87.7	Confident	115 Å²	115	69.8 Å²	69.8	53%	0.532	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-35.2	179.7	-78.7	-72.6	0	0	0	113.5	F580 K586	F580-H582 PolarHBondContact O-N 3.34Å; H582-K586 VanDerWaalsContact O-CB 3.32Å; H582-K586 WeakPolarHBondContact O-CB 3.28Å; H582-K586 PolarHBondContact O-N 3.08Å
583	I	91.4	Very high	87	Confident	78 Å²	78	72 Å²	72	40%	0.4	33%	0.329	S	S	.	.	H	α-helix	trans	-68	-46.5	178.8	-57.2	177.4	0	0	0	109.7	L543 E579 F580 K586 G587	L543-I583 HydrophobicContact CB-CG2 4.42Å; E579-I583 WeakPolarHBondContact O-CD1 3.4Å; F580-I583 PolarHBondContact O-N 3.12Å; F580-I583 VanDerWaalsContact O-N 3.14Å; I583-K586 PolarHBondContact O-N 3.31Å; I583-G587 PolarHBondContact O-N 3.36Å
584	I	90.9	Very high	86.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-46.3	178.8	-67.3	169.3	0	0	0	110.8	F539 L540 L543 C545 C548 F552 L571 I576 F580 K586 G587 I588	F539-I584 HydrophobicContact CE1-CG2 4.32Å; L540-I584 HydrophobicContact CD2-CD1 3.77Å; L540-I584 HydrophobicContact CD2-CG1 3.8Å; L540-I584 HydrophobicContact CD2-CG2 4.47Å; L543-I584 HydrophobicContact CD1-CG1 4.45Å; C545-I584 HydrophobicContact CB-CD1 4.19Å; C545-I584 HydrophobicContact CB-CG1 4.13Å; C548-I584 HydrophobicContact CB-CD1 3.94Å; F552-I584 HydrophobicContact CE2-CD1 4.31Å; F552-I584 HydrophobicContact CZ-CG2 4.07Å; L571-I584 HydrophobicContact CD1-CG2 4.15Å; L571-I584 HydrophobicContact CD2-CG2 4.03Å; I576-I584 HydrophobicContact CD1-CD1 4.47Å; I576-I584 HydrophobicContact CG2-CD1 4.12Å; F580-I584 HydrophobicContact CB-CD1 4.11Å; F580-I584 WeakPolarHBondContact O-CB 3.32Å; F580-I584 WeakPolarHBondContact O-CG1 3.45Å; F580-I584 PolarHBondContact O-N 3.25Å; I584-K586 PolarHBondContact O-N 3.49Å; I584-G587 PolarHBondContact O-N 3.38Å; I584-G587 VanDerWaalsContact O-N 3.15Å; I584-I588 HydrophobicContact CG2-CD1 4Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 3.32Å
585	W	91.9	Very high	85	Confident	96 Å²	96	69 Å²	69	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-57.4	-47.1	176.7	-179.7	69.2	0	0	0	112.3	L568 L571 Q581 G587 I588 M589	L568-W585 HydrophobicContact CD1-CB 4.1Å; L568-W585 HydrophobicContact CD1-CG 4.3Å; L571-W585 HydrophobicContact CD1-CB 3.65Å; L571-W585 HydrophobicContact CD1-CG 4.44Å; Q581-W585 VanDerWaalsContact O-CB 3.26Å; Q581-W585 WeakPolarHBondContact O-CB 3.47Å; Q581-W585 PolarHBondContact O-N 3.25Å; W585-G587 VanDerWaalsContact C-N 3.33Å; W585-G587 PolarHBondContact O-N 3.33Å; W585-I588 PolarHBondContact O-N 2.93Å; W585-M589 HydrophobicContact CD2-CG 4.43Å; W585-M589 HydrophobicContact CH2-SD 3.93Å; W585-M589 HydrophobicContact CZ2-CG 4.24Å; W585-M589 HydrophobicContact CZ2-SD 3.54Å; W585-M589 VanDerWaalsContact CZ2-SD 3.54Å; W585-M589 WeakPolarHBondContact O-CG 3.41Å; W585-M589 PolarHBondContact O-N 3Å
586	K	90.4	Very high	83.2	Confident	120 Å²	120	66.6 Å²	66.6	52%	0.522	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-42.5	175.6	-173.1	176.9	-175.7	-87.9	0	111.4	H582 I583 I584 I588 M589 E590	H582-K586 VanDerWaalsContact O-CB 3.32Å; H582-K586 WeakPolarHBondContact O-CB 3.28Å; H582-K586 PolarHBondContact O-N 3.08Å; I583-K586 PolarHBondContact O-N 3.31Å; I584-K586 PolarHBondContact O-N 3.49Å; K586-I588 PolarHBondContact O-N 3.19Å; K586-M589 WeakPolarHBondContact O-CB 3.36Å; K586-M589 PolarHBondContact O-N 3.28Å; K586-E590 WeakPolarHBondContact CE-OE1 3.4Å; K586-E590 IonicContact NZ-OE1 3.94Å; K586-E590 PolarHBondContact NZ-OE1 3.09Å; K586-E590 WeakPolarHBondContact O-CG 3.49Å; K586-E590 PolarHBondContact O-N 3.26Å
587	G	90.4	Very high	81.1	Confident	4 Å²	4	74.8 Å²	74.8	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-36.6	175.8	0	0	0	0	0	113.9	F539 I583 I584 W585 E590 H591	F539-G587 WeakPolarHBondContact CE2-O 3.28Å; I583-G587 PolarHBondContact O-N 3.36Å; I584-G587 PolarHBondContact O-N 3.38Å; I584-G587 VanDerWaalsContact O-N 3.15Å; W585-G587 VanDerWaalsContact C-N 3.33Å; W585-G587 PolarHBondContact O-N 3.33Å; G587-E590 PolarHBondContact O-N 3.14Å; G587-H591 WeakPolarHBondContact O-CB 3.14Å; G587-H591 PolarHBondContact O-N 3.44Å
588	I	89.4	Confident	78.5	Confident	6 Å²	6	77.3 Å²	77.3	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-43.7	174.2	-66.8	165.6	0	0	0	109.8	F539 I563 L571 I584 W585 K586 E590 H591 R592	F539-I588 HydrophobicContact CE1-CG1 4.23Å; F539-I588 HydrophobicContact CZ-CG1 3.9Å; I563-I588 HydrophobicContact CB-CD1 4.44Å; I563-I588 HydrophobicContact CD1-CD1 4.08Å; I563-I588 HydrophobicContact CD1-CG1 4.27Å; I563-I588 HydrophobicContact CG1-CD1 4.41Å; I563-I588 WeakPolarHBondContact O-CG2 3.35Å; L571-I588 HydrophobicContact CD1-CD1 4.4Å; L571-I588 HydrophobicContact CD2-CD1 4.33Å; I584-I588 HydrophobicContact CG2-CD1 4Å; I584-I588 WeakPolarHBondContact O-CG1 3.48Å; I584-I588 PolarHBondContact O-N 3.32Å; W585-I588 PolarHBondContact O-N 2.93Å; K586-I588 PolarHBondContact O-N 3.19Å; I588-E590 PolarHBondContact O-N 3.33Å; I588-H591 PolarHBondContact O-N 3.49Å; I588-R592 PolarHBondContact O-N 2.93Å
589	M	87.1	Confident	76	Confident	53 Å²	53	77.4 Å²	77.4	26%	0.261	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-40.4	175.8	-65.1	-128.3	71.8	0	0	112.9	W585 K586 R592 Q593	W585-M589 HydrophobicContact CD2-CG 4.43Å; W585-M589 HydrophobicContact CH2-SD 3.93Å; W585-M589 HydrophobicContact CZ2-CG 4.24Å; W585-M589 HydrophobicContact CZ2-SD 3.54Å; W585-M589 VanDerWaalsContact CZ2-SD 3.54Å; W585-M589 WeakPolarHBondContact O-CG 3.41Å; W585-M589 PolarHBondContact O-N 3Å; K586-M589 WeakPolarHBondContact O-CB 3.36Å; K586-M589 PolarHBondContact O-N 3.28Å; M589-R592 VanDerWaalsContact CE-NH2 3.28Å; M589-Q593 WeakPolarHBondContact O-CG 3.26Å; M589-Q593 PolarHBondContact O-N 2.91Å; M589-Q593 PolarHBondContact O-NE2 3.15Å
590	E	85.4	Confident	73.6	Confident	93 Å²	93	76.9 Å²	76.9	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-69.1	-37.6	175.1	-73.2	173.1	-175.2	0	0	111.9	K586 G587 I588 Q593 A594	K586-E590 WeakPolarHBondContact CE-OE1 3.4Å; K586-E590 IonicContact NZ-OE1 3.94Å; K586-E590 PolarHBondContact NZ-OE1 3.09Å; K586-E590 WeakPolarHBondContact O-CG 3.49Å; K586-E590 PolarHBondContact O-N 3.26Å; G587-E590 PolarHBondContact O-N 3.14Å; I588-E590 PolarHBondContact O-N 3.33Å; E590-Q593 PolarHBondContact O-N 2.97Å; E590-A594 WeakPolarHBondContact O-CB 3.19Å; E590-A594 PolarHBondContact O-N 3.37Å
591	H	82.3	Confident	71.1	Confident	22 Å²	22	80 Å²	80	10%	0.102	42%	0.419	C	S	.	.	H	α-helix	trans	-63.4	-42.3	175.7	-167.9	85.2	0	0	0	112	M560 G587 I588 A594 M595	M560-H591 WeakPolarHBondContact CG-CD2 3.29Å; M560-H591 WeakPolarHBondContact CG-NE2 3.46Å; G587-H591 WeakPolarHBondContact O-CB 3.14Å; G587-H591 PolarHBondContact O-N 3.44Å; I588-H591 PolarHBondContact O-N 3.49Å; H591-A594 WeakPolarHBondContact O-CB 3.29Å; H591-A594 PolarHBondContact O-N 2.98Å; H591-M595 PolarHBondContact O-N 2.92Å
592	R	81.5	Confident	68.4	Low	97 Å²	97	87.3 Å²	87.3	37%	0.366	45%	0.452	S	S	.	.	H	α-helix	trans	-63.3	-45.8	176.5	-163.5	175.2	72.9	-166.4	6.2	111.8	E564 I588 M589 A594 M595 D596	E564-R592 HydrophobicContact CG-CG 4.35Å; I588-R592 PolarHBondContact O-N 2.93Å; M589-R592 VanDerWaalsContact CE-NH2 3.28Å; R592-A594 VanDerWaalsContact C-N 3.25Å; R592-A594 PolarHBondContact O-N 3.45Å; R592-M595 WeakPolarHBondContact O-CB 3.32Å; R592-M595 PolarHBondContact O-N 3.47Å; R592-D596 PolarHBondContact O-N 3.05Å
593	Q	72	Confident	65.9	Low	105 Å²	105	89.4 Å²	89.4	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-61.3	-32.9	174.9	-72.1	174.3	55.2	0	0	112.7	M589 E590 M595 D596 F597	M589-Q593 WeakPolarHBondContact O-CG 3.26Å; M589-Q593 PolarHBondContact O-N 2.91Å; M589-Q593 PolarHBondContact O-NE2 3.15Å; E590-Q593 PolarHBondContact O-N 2.97Å; Q593-M595 VanDerWaalsContact C-N 3.27Å; Q593-M595 PolarHBondContact O-N 3.23Å; Q593-D596 PolarHBondContact O-N 3.25Å; Q593-F597 PolarHBondContact O-N 3.04Å
594	A	68.3	Low	63.1	Low	55 Å²	55	91.6 Å²	91.6	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-69.6	-20.5	174.9	0	0	0	0	0	113.7	E590 H591 R592	E590-A594 WeakPolarHBondContact O-CB 3.19Å; E590-A594 PolarHBondContact O-N 3.37Å; H591-A594 WeakPolarHBondContact O-CB 3.29Å; H591-A594 PolarHBondContact O-N 2.98Å; R592-A594 VanDerWaalsContact C-N 3.25Å; R592-A594 PolarHBondContact O-N 3.45Å
595	M	61.2	Low	60.3	Low	83 Å²	83	102.9 Å²	102.9	41%	0.409	53%	0.525	S	S	.	.	H	α-helix	trans	-81.1	-38.4	170.7	-65.1	-65.1	106.3	0	0	111.8	H591 R592 Q593 F597	H591-M595 PolarHBondContact O-N 2.92Å; R592-M595 WeakPolarHBondContact O-CB 3.32Å; R592-M595 PolarHBondContact O-N 3.47Å; Q593-M595 VanDerWaalsContact C-N 3.27Å; Q593-M595 PolarHBondContact O-N 3.23Å; M595-F597 VanDerWaalsContact C-N 3.32Å; M595-F597 PolarHBondContact O-N 3.44Å
596	D	49.6	Very low	57.3	Low	124 Å²	124	104.6 Å²	104.6	66%	0.663	55%	0.547	S	S	*	.	H	α-helix	trans	-68.1	-26.9	179.5	-70.5	-40.6	0	0	0	113.7	R592 Q593	R592-D596 PolarHBondContact O-N 3.05Å; Q593-D596 PolarHBondContact O-N 3.25Å
597	F	44.7	Very low	54.6	Low	175 Å²	175	105.3 Å²	105.3	77%	0.768	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	22	-178.2	-84.8	-80.7	0	0	0	115.2	Q593 M595 P599	Q593-F597 PolarHBondContact O-N 3.04Å; M595-F597 VanDerWaalsContact C-N 3.32Å; M595-F597 PolarHBondContact O-N 3.44Å; F597-P599 VanDerWaalsContact O-CD 3.29Å; F597-P599 WeakPolarHBondContact O-CD 3.43Å
598	S	34.3	Very low	51.7	Low	90 Å²	90	111.5 Å²	111.5	63%	0.629	60%	0.604	S	S	*	*			trans	-87.6	108.7	172.6	175	0	0	0	0	111.8
599	P	32.5	Very low	49	Very low	102 Å²	102	114.9 Å²	114.9	66%	0.662	64%	0.64	S	S	*	*			trans	-68.9	160.3	171	-10.8	28.5	0	0	0	110.7	F597	F597-P599 VanDerWaalsContact O-CD 3.29Å; F597-P599 WeakPolarHBondContact O-CD 3.43Å
600	P	35	Very low	46.3	Very low	105 Å²	105	117.2 Å²	117.2	68%	0.682	67%	0.668	S	S	*	*			trans	-57.8	151.9	167.4	-19.8	31.9	0	0	0	110.8	H602	P600-H602 VanDerWaalsContact C-N 3.34Å; P600-H602 PolarHBondContact O-N 3.41Å
601	P	35.8	Very low	43.7	Very low	136 Å²	136	118.8 Å²	118.8	88%	0.883	69%	0.689	S	S	*	*			trans	-70.5	88.2	-177.6	29.6	-35.5	0	0	0	111.2
602	H	33.4	Very low	41.4	Very low	174 Å²	174	123.8 Å²	123.8	81%	0.806	72%	0.721	S	S	*	*			trans	-104.4	141.1	165.2	-102.5	-81.8	0	0	0	111.2	P600	P600-H602 VanDerWaalsContact C-N 3.34Å; P600-H602 PolarHBondContact O-N 3.41Å
603	I	36.7	Very low	39	Very low	159 Å²	159	125.2 Å²	125.2	82%	0.815	74%	0.741	S	S	*	*			trans	-57.5	134.7	-169.7	-69.8	157.2	0	0	0	112.3	R605	I603-R605 PolarHBondContact O-N 3.2Å
604	V	33.1	Very low	37	Very low	125 Å²	125	125.3 Å²	125.3	76%	0.758	75%	0.753	S	S	*	*			trans	-56.7	122.4	171.1	-178.7	0	0	0	0	110.7	T606	V604-T606 HydrophobicContact CG1-CG2 4.46Å
605	R	30.9	Very low	35.3	Very low	237 Å²	237	129.9 Å²	129.9	89%	0.894	78%	0.775	S	S	*	*			trans	-128.3	122.7	147.9	-89.3	-169.6	175.1	-176.2	-0.6	109.4	I603	I603-R605 PolarHBondContact O-N 3.2Å
606	T	28.4	Very low	33.7	Very low	132 Å²	132	129.3 Å²	129.3	81%	0.81	79%	0.79	S	S	*	*			trans	-65.5	140.2	178.7	45.7	0	0	0	0	111.9	V604	V604-T606 HydrophobicContact CG1-CG2 4.46Å
607	T	34	Very low	32.7	Very low	135 Å²	135	129.2 Å²	129.2	83%	0.828	80%	0.799	S	S	*	*			trans	-85.5	132.8	176.9	46.6	0	0	0	0	113
608	S	30.4	Very low	32.1	Very low	133 Å²	133	125.4 Å²	125.4	93%	0.93	79%	0.794	S	S	*	*			trans	-175.5	138.4	161.3	-74	0	0	0	0	105.6
609	G	31.6	Very low	31.9	Very low	77 Å²	77	129.4 Å²	129.4	79%	0.794	80%	0.803	S	S	*	*			cis	-163.1	169.8	-7.8	0	0	0	0	0	107.1
610	A	31	Very low	32.2	Very low	102 Å²	102	128.8 Å²	128.8	84%	0.843	81%	0.806	S	S	*	*			trans	-66	149.7	-167.5	0	0	0	0	0	115.8
611	S	30.7	Very low	32.1	Very low	126 Å²	126	136 Å²	136	88%	0.881	82%	0.82	S	S	*	*			trans	-176.1	167	135.2	-82.4	0	0	0	0	112.6
612	T	34.9	Very low	32	Very low	127 Å²	127	133.3 Å²	133.3	78%	0.779	82%	0.817	S	S	*	*			trans	-107.8	-179	-166.3	50.4	0	0	0	0	114
613	V	30.1	Very low	31.9	Very low	128 Å²	128	133.5 Å²	133.5	78%	0.776	82%	0.818	S	S	*	*			trans	80.2	115.4	161.8	-53.3	0	0	0	0	122.3
614	S	30.7	Very low	31.9	Very low	107 Å²	107	136.9 Å²	136.9	75%	0.748	82%	0.821	S	S	*	*				55.8	120.7	121.2	-51.4	0	0	0	0	124.5
615	V	31.4	Very low	31.9	Very low	151 Å²	151	136.1 Å²	136.1	92%	0.915	82%	0.816	S	S	*	*			trans	60.1	121.4	137.2	-173.6	0	0	0	0	120.4
616	G	27.5	Very low	32.1	Very low	70 Å²	70	131.7 Å²	131.7	72%	0.722	81%	0.808	S	S	*	*			trans	138.2	111.6	138.5	0	0	0	0	0	120
617	S	29.2	Very low	32.4	Very low	122 Å²	122	132.6 Å²	132.6	85%	0.853	81%	0.809	S	S	*	*			trans	55	135.4	141	-149.7	0	0	0	0	124.3
618	S	31.6	Very low	32.5	Very low	96 Å²	96	130.3 Å²	130.3	67%	0.671	80%	0.803	S	S	*	*			trans	58.2	147.4	161.4	-119.8	0	0	0	0	118.4
619	E	30.7	Very low	32.9	Very low	173 Å²	173	129.4 Å²	129.4	81%	0.808	79%	0.792	S	S	*	*			cis	-158	152.4	16	-158.1	150	-108.5	0	0	113.2
620	A	38.3	Very low	32.8	Very low	89 Å²	89	136 Å²	136	74%	0.736	79%	0.793	S	S	*	*			trans	19.8	119.8	160	0	0	0	0	0	122.6
621	R	33.1	Very low	32.9	Very low	257 Å²	257	140 Å²	140	97%	0.97	79%	0.792	S	S	*	*			trans	-160.2	101.8	137.1	-114.7	171.5	-168.4	-177.9	5.1	114.7
622	G	34.3	Very low	33.3	Very low	79 Å²	79	139 Å²	139	81%	0.814	78%	0.78	S	S	*	*			trans	48.4	75.1	148.2	0	0	0	0	0	118.8	R624	G622-R624 PolarHBondContact O-N 3.21Å
623	E	30.4	Very low	33.3	Very low	179 Å²	179	141 Å²	141	84%	0.836	79%	0.785	S	S	*	*			trans	-69.9	119.7	167.1	-172.7	168.4	-149.1	0	0	110.7	V625	E623-V625 HydrophobicContact CG-CG2 4.15Å
624	R	37.3	Very low	33.9	Very low	230 Å²	230	145.6 Å²	145.6	87%	0.868	79%	0.789	S	S	*	*			trans	-97.1	94.6	164.4	-76.2	-164.6	-66.8	-171.6	-2.1	108.6	G622 I626	G622-R624 PolarHBondContact O-N 3.21Å; R624-I626 PolarHBondContact O-N 2.98Å
625	V	33.7	Very low	34.1	Very low	108 Å²	108	148.1 Å²	148.1	66%	0.655	79%	0.788	S	S	*	*			trans	-60	126.1	166.3	-178	0	0	0	0	108.2	E623	E623-V625 HydrophobicContact CG-CG2 4.15Å
626	I	35.5	Very low	35.1	Very low	144 Å²	144	146.8 Å²	146.8	74%	0.738	78%	0.781	S	S	*	*			trans	-113.4	106	170.7	-61	176.1	0	0	0	106.5	R624 A628	R624-I626 PolarHBondContact O-N 2.98Å; I626-A628 PolarHBondContact O-N 2.77Å; I626-A628 VanDerWaalsContact O-N 3.07Å
627	D	33	Very low	36.1	Very low	152 Å²	152	148.8 Å²	148.8	81%	0.813	77%	0.774	S	S	*	*			trans	-67.7	104.6	168.2	-80.2	-37.1	0	0	0	109.4
628	A	37	Very low	36.9	Very low	87 Å²	87	148.1 Å²	148.1	72%	0.719	77%	0.769	S	S	*	*			trans	-97.2	97.7	177.1	0	0	0	0	0	110.3	I626 R630	I626-A628 PolarHBondContact O-N 2.77Å; I626-A628 VanDerWaalsContact O-N 3.07Å; A628-R630 PolarHBondContact O-N 2.9Å; A628-R630 VanDerWaalsContact O-N 3.16Å
629	V	39.3	Very low	37.7	Very low	114 Å²	114	151.6 Å²	151.6	69%	0.691	77%	0.772	S	S	*	*			trans	-70	109.8	172.2	-177.4	0	0	0	0	109.6	F631	V629-F631 HydrophobicContact CB-CE2 4.3Å; V629-F631 HydrophobicContact CG1-CD2 4.2Å; V629-F631 HydrophobicContact CG1-CE1 4.29Å; V629-F631 HydrophobicContact CG1-CE2 3.61Å; V629-F631 HydrophobicContact CG1-CZ 3.66Å
630	R	28.9	Very low	38.7	Very low	215 Å²	215	147 Å²	147	81%	0.811	76%	0.758	S	S	*	*			trans	-93.1	98.5	179.6	-175.5	-179.2	177.8	169.3	1	111.3	A628	A628-R630 PolarHBondContact O-N 2.9Å; A628-R630 VanDerWaalsContact O-N 3.16Å
631	F	33.9	Very low	39.3	Very low	187 Å²	187	147.5 Å²	147.5	82%	0.82	75%	0.753	S	S	*	*			trans	-72.6	128.7	165.9	-62.2	-80.3	0	0	0	110.3	V629	V629-F631 HydrophobicContact CB-CE2 4.3Å; V629-F631 HydrophobicContact CG1-CD2 4.2Å; V629-F631 HydrophobicContact CG1-CE1 4.29Å; V629-F631 HydrophobicContact CG1-CE2 3.61Å; V629-F631 HydrophobicContact CG1-CZ 3.66Å
632	T	38.8	Very low	40	Very low	105 Å²	105	146.2 Å²	146.2	64%	0.644	75%	0.748	S	S	*	*			trans	-120	101.6	175.8	-51.4	0	0	0	0	108.4	R634	T632-R634 PolarHBondContact O-N 3.35Å
633	L	35.5	Very low	40.7	Very low	167 Å²	167	149.2 Å²	149.2	87%	0.874	75%	0.746	S	S	*	*			trans	-75.7	112.2	176.1	-166	79.1	0	0	0	109.2
634	R	41.4	Very low	41.4	Very low	226 Å²	226	148.4 Å²	148.4	85%	0.853	74%	0.742	S	S	*	*			trans	-95.7	109.8	164.9	-95.6	-170.7	166.1	-153.5	-2.9	108.9	T632	T632-R634 PolarHBondContact O-N 3.35Å
635	Q	35.7	Very low	42	Very low	159 Å²	159	147.4 Å²	147.4	74%	0.743	74%	0.738	S	S	*	*			trans	-89.9	107.7	166.9	-172.8	175.2	4	0	0	108.5	I637	Q635-I637 HydrophobicContact CG-CG1 4.21Å
636	T	51.7	Low	42.4	Very low	123 Å²	123	146.9 Å²	146.9	76%	0.755	74%	0.739	S	S	*	*			trans	-88.6	117	170.9	-56.5	0	0	0	0	108.1
637	I	48.7	Very low	42.8	Very low	113 Å²	113	147.3 Å²	147.3	58%	0.579	74%	0.743	S	S	*	*			trans	-99.7	112	173.1	-56.5	176.4	0	0	0	107.4	Q635 F639	Q635-I637 HydrophobicContact CG-CG1 4.21Å; I637-F639 HydrophobicContact CG2-CE2 4.47Å; I637-F639 HydrophobicContact CG2-CZ 4.27Å
638	S	45.5	Very low	42.7	Very low	107 Å²	107	150 Å²	150	75%	0.748	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-91.6	120.1	171.7	49.5	0	0	0	0	109.7
639	F	48.2	Very low	42.6	Very low	169 Å²	169	150.9 Å²	150.9	74%	0.741	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-82.6	139.6	171.6	-61	-85.6	0	0	0	109.9	I637	I637-F639 HydrophobicContact CG2-CE2 4.47Å; I637-F639 HydrophobicContact CG2-CZ 4.27Å
640	P	53	Low	42.4	Very low	77 Å²	77	155 Å²	155	50%	0.5	76%	0.758	S	S	.	*	P	Polyproline II helix	trans	-64.5	158.5	166.4	29	-33.8	0	0	0	110.6
641	P	51.2	Low	42.7	Very low	99 Å²	99	152 Å²	152	64%	0.643	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-54	154.3	173.1	-24.5	35.1	0	0	0	112.5	D643	P641-D643 PolarHBondContact O-N 2.91Å
642	R	47.3	Very low	42.8	Very low	230 Å²	230	150.3 Å²	150.3	87%	0.868	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-72.4	5.2	-167.9	-162.1	-177.6	-88.4	-116.7	0.7	114.3
643	D	48.9	Very low	42.7	Very low	142 Å²	142	152 Å²	152	76%	0.759	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-99.7	1.1	-165.5	-55.8	-41.5	0	0	0	114.5	P641	P641-D643 PolarHBondContact O-N 2.91Å
644	E	44.7	Very low	42.7	Very low	162 Å²	162	147.7 Å²	147.7	76%	0.757	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-110.8	14.5	177.8	-69.5	-174.6	138.2	0	0	114.3	S646	E644-S646 VanDerWaalsContact C-N 3.34Å; E644-S646 PolarHBondContact O-N 2.8Å
645	W	50.7	Low	42.5	Very low	210 Å²	210	146.8 Å²	146.8	80%	0.795	74%	0.742	S	S	*	*			trans	-93.1	48.3	-177.9	-78.1	52.6	0	0	0	113.2
646	S	40.9	Very low	42.5	Very low	96 Å²	96	149.9 Å²	149.9	67%	0.671	75%	0.747	S	S	*	*			trans	-85.6	-26.6	-170.7	-53.9	0	0	0	0	115.7	E644	E644-S646 VanDerWaalsContact C-N 3.34Å; E644-S646 PolarHBondContact O-N 2.8Å
647	D	44.2	Very low	41.6	Very low	153 Å²	153	151.2 Å²	151.2	82%	0.818	75%	0.75	S	S	*	*	S	Bend	trans	-110.2	20.6	-156.2	-80.6	-5.3	0	0	0	116.5
648	F	31.6	Very low	40.7	Very low	209 Å²	209	155 Å²	155	92%	0.917	76%	0.762	S	S	*	*			trans	-116.3	87.5	167.5	-82.3	-81.7	0	0	0	111.7	F650	F648-F650 PolarHBondContact O-N 2.63Å
649	S	35.3	Very low	40.2	Very low	106 Å²	106	158.3 Å²	158.3	74%	0.741	77%	0.766	S	S	*	*			trans	-69	113.1	169	-172.3	0	0	0	0	110.3
650	F	34.2	Very low	39.5	Very low	199 Å²	199	159 Å²	159	87%	0.873	77%	0.771	S	S	*	*			trans	-108	101.8	159.8	-130.8	-83.2	0	0	0	107.1	F648	F648-F650 PolarHBondContact O-N 2.63Å
651	D	35.9	Very low	38.4	Very low	152 Å²	152	166.3 Å²	166.3	81%	0.813	79%	0.789	S	S	*	*			trans	-65.3	135.4	-173	-137.3	-20.1	0	0	0	110.7
652	L	35.8	Very low	37.8	Very low	153 Å²	153	168.7 Å²	168.7	80%	0.801	79%	0.794	S	S	*	*			trans	-133.8	91.3	-162	-159.4	170.6	0	0	0	110.5
653	D	36.4	Very low	37.1	Very low	139 Å²	139	166 Å²	166	74%	0.743	79%	0.789	S	S	*	*			trans	-145.8	144.3	168	-112.3	-31.9	0	0	0	109.1
654	S	35.5	Very low	36.8	Very low	77 Å²	77	167.3 Å²	167.3	54%	0.538	79%	0.791	S	S	.	*			cis	-156.8	146.2	6.1	-147	0	0	0	0	113.3
655	R	36.4	Very low	36.4	Very low	208 Å²	208	167.7 Å²	167.7	79%	0.785	79%	0.792	S	S	*	*			trans	51.3	118.7	138.9	-70.1	170.3	-167.7	-150.9	2	120.3
656	R	36.4	Very low	35.7	Very low	224 Å²	224	161.2 Å²	161.2	85%	0.845	79%	0.791	S	S	*	*				89.8	102.2	61.8	-179.2	-171.5	-176	-178.8	2.7	114.4
657	N	31.8	Very low	35.4	Very low	150 Å²	150	169.8 Å²	169.8	80%	0.802	82%	0.82	S	S	*	*			trans	-169.9	143	150.6	-101.2	-31	0	0	0	107.9
658	K	31.7	Very low	35	Very low	193 Å²	193	170.6 Å²	170.6	84%	0.839	82%	0.821	S	S	*	*			cis	-159.6	146	-16.6	-163.1	171.7	-179.2	178	0	106.9
659	Q	33.5	Very low	35.1	Very low	177 Å²	177	168.6 Å²	168.6	83%	0.827	82%	0.815	S	S	*	*			trans	-81.1	171.7	-174.6	-68.1	173.3	-51.1	0	0	114.4
660	Q	33.5	Very low	35.1	Very low	184 Å²	184	172.1 Å²	172.1	86%	0.86	82%	0.82	S	S	*	*			trans	85.2	140.1	164.8	-53	-178.9	-6.3	0	0	114.7
661	R	30.7	Very low	35.2	Very low	230 Å²	230	170.5 Å²	170.5	87%	0.868	82%	0.816	S	S	*	*			cis	-155	139.6	30.4	-168.5	179.9	-174.2	-173.8	1.9	114.9
662	I	37.7	Very low	35.1	Very low	148 Å²	148	171.6 Å²	171.6	76%	0.759	82%	0.817	S	S	*	*			trans	-25	136.3	156.3	-62.7	148	0	0	0	116.7
663	K	32.8	Very low	35.1	Very low	174 Å²	174	172.9 Å²	172.9	76%	0.757	82%	0.818	S	S	*	*				-158.6	138.6	113.7	-138.9	-161.7	173.2	-135.6	0	114	E665	K663-E665 IonicContact NZ-OE2 2.78Å; K663-E665 PolarHBondContact NZ-OE2 2.78Å
664	E	43.2	Very low	35	Very low	170 Å²	170	175.3 Å²	175.3	79%	0.794	82%	0.823	S	S	*	*			trans	-82.3	177.5	165.9	-72.5	173.3	109.5	0	0	112.4
665	E	36	Very low	35	Very low	169 Å²	169	182.8 Å²	182.8	79%	0.79	85%	0.845	S	S	*	*			trans	107.2	126.6	167.5	-63.3	171.3	157.6	0	0	113.3	K663	K663-E665 IonicContact NZ-OE2 2.78Å; K663-E665 PolarHBondContact NZ-OE2 2.78Å
666	G	35.2	Very low	34.8	Very low	75 Å²	75	180.8 Å²	180.8	77%	0.773	85%	0.85	S	S	*	*			cis	144.6	93	-4.9	0	0	0	0	0	113
667	E	35.6	Very low	34.7	Very low	275 Å²	275	176.8 Å²	176.8	100%	1.285	85%	0.85	S	S	*	*			trans	-166.7	0	146.4	-110.4	-173.5	156	0	0	109.2

Retrieved 667 of 667 residues in 921.2 ms (Link to these results)

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