A0A3Q0KRQ0_SCHMA Loading...

Putative T-box transcription factor tbx2

AlphaFold DB (A0A5K4EU94), UniProt , Accession A0A3Q0KRQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,191 aa.

						>A0A3Q0KRQ0_SCHMA|A0A3Q0KRQ0
MLISQKTPNLCFPDKSSSMNISTQLNNPIILNSNPMESLDKNNHDNGDDDDNDDDEEEEEEEEDEPKSFNIETCKSQFIFNRNRHNSNGSNTSKSSISPMLSTLPNSSTAFRSPPHITQPHIQLQSSLPLLQPTSLSFPIPSVPPLPNSLFCRNSTSFYSTLMNRIDPDQLHVLMKMLNDTVTNGLLNNNSSNLSLPPTTALATAALQSMFNSAMFNTESSVPVKFDSMEHFNIGNNVHKNDLKNNCNSQDDYYQHYLRERWDSRYCLKDYLNDPANWPDHIDTTNNDNNSNILLMMLMMMFMKRNMDSLMPTSNPLNKSPTLSLSSPSGPSTSSPSSSMMLTTPSPSLTKGLTTMTTTTTTTVNQFMDDHILHCDKSSQHHYNLLHNPNYLNTGDGLKKSMKCNIVDDQDNLRFKFNHLNVFPEKLTFHDIIRSTGNNKNTTMISTTITTTTTTTTTTTTNTNTTTYNNGNGYQSSNPYIMNDLLENESDQIDSLVQRTELLDSDLWKHFHSMTTEMVITKSGRRMFPSFKVRVTGLDRNAKYIMLLDIVSRDEHRYKFQNGKWTIAGKADPEPCRKPYIHPDSPTTGEEWMHKPISFHKLKLTNNVAERQSFQAVLNSMHKYIPRFHIVRADHLNKMNMSNFVTFIFDETEFIAVTAYQNERITQLKIDNNPFAKGFRDNGSGRREKKGLRLRYKQTINSTDPYDDLDGIERNILKKRSADLYGTHENIKFSFPNSINHPVSTNRLSLLHHNNNHHHHHGLDIQCSSSSHCSSISTSMCNTSSSIISTSNQLFCGLSNSLSYTSSDQFSSYSIDNLHHCGGSSSSSNNHNGNNNKSIDSLPSLSFCHLSDGKLSTTKDLASSSLSLPYPLWSRYFDPTSLNSTLISTNLPRSQHTVHYCPKISKSPSSSSSSSSSSSSIEYSFNKIQNNHSIEFQRQHQRQQQFIDKTDRIHDINEMSSATNNSFNLPSSTVTVQSLSSKSTSSLTSGLSSPLVGTSSVITDTTNTTTTTMTTSTIKSSQSLPCSTLTTSVFDGISGLTGGTGEGITELQLFPDNLKRKYDEMNRYSREDCNSLQNHKDLNSSRLCCSPTKKQYIQKTISTNNGSICFNENDYNNNTKSSNQTLINDQFHCNEIKCKHEFNHSLCCNCPNSLPILSHDNDVITSSITQSTSLTFMNSSKRSFNISCLLE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.1	Very low	34.7	Very low	171 Å²	171	136.9 Å²	136.9	84%	0.842	74%	0.743	S	S	*	*				0	169.2	0	-66.6	81	78.1	0	0	108.7	S68	M1-S68 WeakPolarHBondContact CE-OG 3.1Å
2	L	32.7	Very low	34.5	Very low	95 Å²	95	140.9 Å²	140.9	50%	0.497	75%	0.748	S	S	.	*			trans	-100.8	108.1	162.6	-92.4	166	0	0	0	108.6	T666 I670	L2-T666 HydrophobicContact CD1-CG2 4.14Å; L2-T666 HydrophobicContact CD2-CG2 4.24Å; L2-I670 HydrophobicContact CD1-CD1 4.29Å
3	I	36.6	Very low	34.5	Very low	125 Å²	125	138.4 Å²	138.4	64%	0.641	75%	0.745	S	S	*	*			trans	-118.4	94.8	165	-59	178.9	0	0	0	106.2
4	S	37	Very low	34.2	Very low	99 Å²	99	140.1 Å²	140.1	69%	0.692	75%	0.754	S	S	*	*			trans	-128.5	87.6	164.7	-173.5	0	0	0	0	107.1	K6	S4-K6 PolarHBondContact O-N 3.15Å
5	Q	38.3	Very low	34.1	Very low	170 Å²	170	143.9 Å²	143.9	79%	0.794	76%	0.761	S	S	*	*			trans	-86.4	97.5	169.7	-68.2	-172.6	7.3	0	0	107.9	T7	Q5-T7 PolarHBondContact O-N 3.19Å
6	K	38.2	Very low	34	Very low	192 Å²	192	142.4 Å²	142.4	84%	0.835	77%	0.765	S	S	*	*			trans	-88.5	92.4	167.2	-109.8	176.4	179.4	170.2	0	109.8	S4	S4-K6 PolarHBondContact O-N 3.15Å
7	T	39.3	Very low	34.1	Very low	119 Å²	119	140.4 Å²	140.4	73%	0.73	77%	0.765	S	S	*	*			trans	-64.6	135.8	165.3	44.2	0	0	0	0	110.2	Q5	Q5-T7 PolarHBondContact O-N 3.19Å
8	P	33.4	Very low	34.1	Very low	103 Å²	103	139.3 Å²	139.3	67%	0.669	77%	0.769	S	S	*	*			trans	-80.6	165.8	172	34.8	-35.3	0	0	0	111.8
9	N	33.5	Very low	34	Very low	152 Å²	152	141.6 Å²	141.6	81%	0.813	78%	0.776	S	S	*	*			trans	73.6	106	170.5	-45.6	-31.7	0	0	0	116.6
10	L	32.6	Very low	34	Very low	156 Å²	156	142.6 Å²	142.6	82%	0.817	78%	0.78	S	S	*	*				-167.8	115	111.5	-102.5	161	0	0	0	109.4	F12	L10-F12 HydrophobicContact CD2-CE2 4.18Å
11	C	27.9	Very low	33.8	Very low	124 Å²	124	143.1 Å²	143.1	84%	0.838	78%	0.781	S	S	*	*			trans	-86.6	118.3	176	-61.7	0	0	0	0	110.1
12	F	32.5	Very low	33.7	Very low	185 Å²	185	139.9 Å²	139.9	81%	0.811	78%	0.775	S	S	*	*			trans	-131.6	144.9	155.5	-83.2	-79.7	0	0	0	108.9	L10	L10-F12 HydrophobicContact CD2-CE2 4.18Å
13	P	34.8	Very low	33.8	Very low	108 Å²	108	140.6 Å²	140.6	70%	0.701	78%	0.783	S	S	*	*			trans	-87	148.3	-158.5	33.2	-36.4	0	0	0	114.2	K15	P13-K15 PolarHBondContact O-N 2.83Å
14	D	30.3	Very low	33.6	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	79%	0.79	S	S	*	*			trans	-58.3	131.8	171.8	-65.2	-67.8	0	0	0	112.5
15	K	32.4	Very low	33.5	Very low	197 Å²	197	144 Å²	144	86%	0.857	79%	0.79	S	S	*	*			trans	-144.2	89.1	166.9	-81.2	-164.7	175	-175.7	0	112.1	P13	P13-K15 PolarHBondContact O-N 2.83Å
16	S	33	Very low	33.2	Very low	119 Å²	119	141.8 Å²	141.8	83%	0.832	78%	0.783	S	S	*	*			trans	-155.6	49.2	162.6	47.8	0	0	0	0	111.5	S18	S16-S18 PolarHBondContact O-N 3.34Å
17	S	34.9	Very low	33.1	Very low	109 Å²	109	139.7 Å²	139.7	76%	0.762	78%	0.781	S	S	*	*			trans	-64.7	122.2	168	54.2	0	0	0	0	110.2	M19	S17-M19 PolarHBondContact O-N 3.49Å; S17-M19 VanDerWaalsContact O-N 3.09Å
18	S	34.3	Very low	33.1	Very low	120 Å²	120	139.9 Å²	139.9	84%	0.839	78%	0.784	S	S	*	*			trans	-62	107.9	172.4	42.5	0	0	0	0	110.8	S16	S16-S18 PolarHBondContact O-N 3.34Å
19	M	32.6	Very low	33.2	Very low	184 Å²	184	142.9 Å²	142.9	91%	0.906	79%	0.793	S	S	*	*			trans	-76	130.5	171.7	-88.7	-174.2	159.3	0	0	110.6	S17	S17-M19 PolarHBondContact O-N 3.49Å; S17-M19 VanDerWaalsContact O-N 3.09Å
20	N	33.2	Very low	33.4	Very low	160 Å²	160	142 Å²	142	86%	0.856	79%	0.786	S	S	*	*			trans	-110.9	152.1	165.8	-150.6	-16.6	0	0	0	109.1
21	I	29.7	Very low	33.6	Very low	154 Å²	154	141.1 Å²	141.1	79%	0.79	78%	0.782	S	S	*	*			trans	-91.5	125.7	-151.7	-64.8	166.4	0	0	0	113.6
22	S	31.5	Very low	34	Very low	104 Å²	104	141.2 Å²	141.2	73%	0.727	77%	0.774	S	S	*	*			trans	175.4	144.8	149.4	-81	0	0	0	0	109.3
23	T	34.4	Very low	34.2	Very low	109 Å²	109	136.4 Å²	136.4	67%	0.669	76%	0.763	S	S	*	*			cis	-165.9	150.7	-3.7	16.1	0	0	0	0	108.5
24	Q	33	Very low	34.3	Very low	165 Å²	165	138.8 Å²	138.8	77%	0.771	77%	0.77	S	S	*	*			trans	53.5	130.2	145.5	-70.4	-167.5	57.6	0	0	119.5
25	L	33.1	Very low	35.1	Very low	132 Å²	132	136.1 Å²	136.1	69%	0.691	76%	0.762	S	S	*	*			cis	-162.1	159.4	34.7	-88.2	116.7	0	0	0	113.5
26	N	33.7	Very low	35.1	Very low	123 Å²	123	134.7 Å²	134.7	66%	0.658	76%	0.76	S	S	*	*			trans	63.9	106.8	142.7	-64.1	-2.9	0	0	0	124.7
27	N	34.3	Very low	35.3	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	76%	0.758	S	S	*	*				79.2	124.8	122.7	-63	2.5	0	0	0	122.8
28	P	40.3	Very low	35.4	Very low	123 Å²	123	136 Å²	136	80%	0.799	75%	0.75	S	S	*	*			trans	-113	165	177.3	42.1	-34.2	0	0	0	115.6
29	I	36.2	Very low	35.5	Very low	166 Å²	166	137.3 Å²	137.3	85%	0.851	75%	0.747	S	S	*	*			trans	-151.4	149.3	173.5	-69.8	-174	0	0	0	110.1
30	I	36.6	Very low	35.8	Very low	132 Å²	132	133 Å²	133	68%	0.677	73%	0.728	S	S	*	*			cis	-170.6	151.6	-38.8	-145.2	-175.3	0	0	0	110.6
31	L	36.9	Very low	36.2	Very low	139 Å²	139	132.7 Å²	132.7	73%	0.728	72%	0.719	S	S	*	*			trans	65.6	157.8	161.6	-59.4	176.4	0	0	0	118.6
32	N	36.1	Very low	36.6	Very low	125 Å²	125	131.2 Å²	131.2	67%	0.668	71%	0.713	S	S	*	*			cis	-160.2	156.7	-2.8	-136.8	-3.8	0	0	0	116.3
33	S	36.3	Very low	37	Very low	84 Å²	84	131.4 Å²	131.4	59%	0.587	71%	0.706	S	S	*	*			trans	47	151.1	135.8	72.2	0	0	0	0	123.9
34	N	38.6	Very low	37.3	Very low	158 Å²	158	133.7 Å²	133.7	85%	0.845	71%	0.709	S	S	*	*			cis	-167.3	176.1	-17.7	-111.7	4.4	0	0	0	111.1
35	P	45.4	Very low	37.7	Very low	107 Å²	107	131.2 Å²	131.2	70%	0.695	70%	0.7	S	S	*	*			trans	-112.1	-168.1	-167.9	44.1	-35.9	0	0	0	114
36	M	33.5	Very low	38	Very low	167 Å²	167	132.4 Å²	132.4	82%	0.823	71%	0.708	S	S	*	*				171.3	166.9	121.5	-117.1	-61.6	-171.8	0	0	115.2
37	E	35.9	Very low	38.2	Very low	170 Å²	170	129.4 Å²	129.4	79%	0.794	71%	0.706	S	S	*	*			trans	70.3	144.7	155.7	-71.1	175.1	178.3	0	0	120.9
38	S	38	Very low	38.5	Very low	85 Å²	85	129.6 Å²	129.6	59%	0.594	71%	0.707	S	S	*	*			cis	-173.5	148.6	-20.7	61.6	0	0	0	0	113.7
39	L	37.4	Very low	38.5	Very low	148 Å²	148	130.7 Å²	130.7	78%	0.775	71%	0.706	S	S	*	*			trans	64.6	158.3	142.8	-65.1	163.5	0	0	0	117.7
40	D	38.5	Very low	38.9	Very low	93 Å²	93	130.5 Å²	130.5	50%	0.497	71%	0.707	S	S	.	*			cis	-163.1	153.3	5.6	-129.5	-26.4	0	0	0	112.9
41	K	40.2	Very low	39.2	Very low	155 Å²	155	131.6 Å²	131.6	67%	0.674	71%	0.714	S	S	*	*			trans	59.3	151.8	143.5	-72.3	155	-168.7	151.1	0	121.6
42	N	38.5	Very low	39.4	Very low	122 Å²	122	132.6 Å²	132.6	65%	0.652	72%	0.72	S	S	*	*			cis	-165.9	148.6	-15	-116.9	14.7	0	0	0	113.5
43	N	39.5	Very low	39.6	Very low	109 Å²	109	133.8 Å²	133.8	58%	0.583	73%	0.726	S	S	*	*			trans	58.8	139.8	134.5	-64.9	14.4	0	0	0	125.6
44	H	42.3	Very low	39.8	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.727	74%	0.74	S	S	*	*			trans	69	151.4	137.5	-73.6	-45.2	0	0	0	120
45	D	41.2	Very low	39.8	Very low	112 Å²	112	137.4 Å²	137.4	60%	0.599	74%	0.739	S	S	*	*			cis	-170.2	160.5	-28.5	-143.7	-32.4	0	0	0	109.3
46	N	38.4	Very low	39.5	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	75%	0.747	S	S	*	*			trans	60.9	159.4	-178	-26.3	-89.7	0	0	0	114.1
47	G	37.4	Very low	39.6	Very low	60 Å²	60	139.8 Å²	139.8	62%	0.619	74%	0.739	S	S	*	*			cis	172.2	149.8	-7.8	0	0	0	0	0	110.9
48	D	40.5	Very low	39.4	Very low	152 Å²	152	141.2 Å²	141.2	81%	0.813	75%	0.746	S	S	*	*			trans	48.9	132.8	155.8	-46.9	-18.9	0	0	0	121.4
49	D	41.3	Very low	39.3	Very low	147 Å²	147	144.2 Å²	144.2	79%	0.786	75%	0.75	S	S	*	*			trans	48.6	116.2	146.4	-50.3	-15.4	0	0	0	121.6
50	D	44	Very low	39	Very low	161 Å²	161	145.6 Å²	145.6	86%	0.861	75%	0.753	S	S	*	*				-172.9	143.9	107.6	-100.1	-25.3	0	0	0	111.1
51	D	42.6	Very low	38.8	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	77%	0.774	S	S	*	*			trans	-72.9	147.3	175.8	-60.5	-62.8	0	0	0	111.9
52	N	42.6	Very low	38.6	Very low	160 Å²	160	152.3 Å²	152.3	86%	0.856	78%	0.784	S	S	*	*			trans	-152.2	147.5	150.2	-90.5	-86.7	0	0	0	109.4
53	D	39.4	Very low	38.5	Very low	150 Å²	150	156.3 Å²	156.3	80%	0.802	80%	0.798	S	S	*	*			trans	-75.7	152	-179	-42.4	-95.3	0	0	0	112.6
54	D	41.6	Very low	38.3	Very low	163 Å²	163	156.6 Å²	156.6	87%	0.872	80%	0.8	S	S	*	*			trans	-157.1	135.9	154.2	-99.3	-34.5	0	0	0	109.1
55	D	38.7	Very low	37.8	Very low	154 Å²	154	152.7 Å²	152.7	82%	0.824	78%	0.782	S	S	*	*			trans	-70.5	-143.5	-163.9	-59.8	-60.7	0	0	0	117.6
56	E	38.8	Very low	37.5	Very low	186 Å²	186	153.4 Å²	153.4	87%	0.869	79%	0.793	S	S	*	*			trans	73.1	79.7	-176.3	-55.3	-174.4	-179.5	0	0	114.3
57	E	35.7	Very low	37.2	Very low	138 Å²	138	153.5 Å²	153.5	65%	0.645	79%	0.786	S	S	*	*				63.5	128.1	79.1	-63	-148	135.8	0	0	115.8	P869	E57-P869 WeakPolarHBondContact OE1-CG 3.3Å
58	E	31.1	Very low	36.9	Very low	201 Å²	201	154.1 Å²	154.1	94%	0.939	78%	0.78	S	S	*	*			trans	-91.6	118.7	177.7	-60.3	178.7	132.8	0	0	110.7
59	E	35.1	Very low	36.3	Very low	148 Å²	148	155.6 Å²	155.6	69%	0.692	78%	0.78	S	S	*	*			trans	-112.1	130.5	165.9	-80.8	-164	-133.6	0	0	111.7	L868	E59-L868 HydrophobicContact CG-CD1 3.75Å; E59-L868 WeakPolarHBondContact OE1-CD1 3.4Å
60	E	30.8	Very low	35.7	Very low	177 Å²	177	155.6 Å²	155.6	83%	0.827	78%	0.78	S	S	*	*			trans	-84.3	114.1	178.6	-58	-177.4	127.7	0	0	111.1	E62	E60-E62 PolarHBondContact O-N 3.05Å
61	E	35.7	Very low	35.1	Very low	200 Å²	200	154.1 Å²	154.1	94%	0.935	77%	0.771	S	S	*	*			trans	-71.3	117.8	176.1	-77.5	-161.3	136.9	0	0	112.8	E63	E61-E63 PolarHBondContact O-N 3.37Å
62	E	34.8	Very low	34.5	Very low	189 Å²	189	154.2 Å²	154.2	88%	0.883	77%	0.766	S	S	*	*			trans	-71.7	118	175.2	-66.6	-172	107.2	0	0	113.6	E60 D64	E60-E62 PolarHBondContact O-N 3.05Å; E62-D64 PolarHBondContact O-N 3.47Å
63	E	36.6	Very low	33.8	Very low	205 Å²	205	151.1 Å²	151.1	96%	0.958	75%	0.753	S	S	*	*			trans	-81.4	90.2	161.4	-77.2	-157.2	148.3	0	0	111.7	E61	E61-E63 PolarHBondContact O-N 3.37Å
64	D	35.3	Very low	33.4	Very low	116 Å²	116	150.3 Å²	150.3	62%	0.62	76%	0.758	S	S	*	*			trans	-90.4	146.8	168.5	-164.7	24.7	0	0	0	114	E62 K522	E62-D64 PolarHBondContact O-N 3.47Å; D64-K522 IonicContact OD1-NZ 3.25Å; D64-K522 PolarHBondContact OD1-NZ 2.68Å; D64-K522 IonicContact OD2-NZ 3.92Å; D64-K522 PolarHBondContact OD2-NZ 3.01Å
65	E	32.2	Very low	32.6	Very low	75 Å²	75	150.7 Å²	150.7	35%	0.35	75%	0.752	S	S	.	*			trans	-71.4	138.1	-168.7	-104.7	-158.2	165.8	0	0	115.5	K67 N606	E65-K67 PolarHBondContact O-N 3.29Å; E65-N606 PolarHBondContact OE1-ND2 3.03Å; E65-N606 PolarHBondContact OE2-ND2 2.83Å
66	P	35.1	Very low	32.3	Very low	127 Å²	127	149.4 Å²	149.4	83%	0.825	76%	0.755	S	S	*	*			trans	-73.4	111.6	175.2	29.7	-34.6	0	0	0	112.7
67	K	31.8	Very low	31.6	Very low	158 Å²	158	148.4 Å²	148.4	69%	0.687	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-80.3	140.2	168.2	-88.6	176.6	178.9	164	0	112.4	E65	E65-K67 PolarHBondContact O-N 3.29Å
68	S	30.3	Very low	31.2	Very low	73 Å²	73	152.1 Å²	152.1	51%	0.51	77%	0.765	S	S	.	*	P	Polyproline II helix	trans	-66.3	133.4	-175.9	58	0	0	0	0	114.6	M1	M1-S68 WeakPolarHBondContact CE-OG 3.1Å
69	F	29.4	Very low	30.9	Very low	183 Å²	183	149 Å²	149	80%	0.803	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.7	146.2	161.9	-113.3	-97.5	0	0	0	112.1	I71	F69-I71 HydrophobicContact CD1-CD1 4.07Å; F69-I71 HydrophobicContact CD1-CG1 4.36Å; F69-I71 HydrophobicContact CE1-CD1 3.84Å
70	N	27.5	Very low	30.6	Very low	147 Å²	147	152.4 Å²	152.4	79%	0.786	77%	0.766	S	S	*	*			trans	-154.4	110.8	172.4	-167.9	32.1	0	0	0	110
71	I	32.1	Very low	30.4	Very low	130 Å²	130	149.6 Å²	149.6	67%	0.667	76%	0.756	S	S	*	*			trans	-131.5	112.1	177	-73.8	179.7	0	0	0	104.5	F69	F69-I71 HydrophobicContact CD1-CD1 4.07Å; F69-I71 HydrophobicContact CD1-CG1 4.36Å; F69-I71 HydrophobicContact CE1-CD1 3.84Å
72	E	30.3	Very low	30.1	Very low	158 Å²	158	149.7 Å²	149.7	74%	0.738	75%	0.748	S	S	*	*				66.6	155.5	75.9	-74.3	-130	99.3	0	0	113.9
73	T	28.4	Very low	29.8	Very low	95 Å²	95	146.1 Å²	146.1	58%	0.583	74%	0.735	S	S	*	*			cis	-162.2	139.2	-34.5	-92.4	0	0	0	0	105.1
74	C	29.5	Very low	29.4	Very low	134 Å²	134	139.7 Å²	139.7	91%	0.905	70%	0.702	S	S	*	*			trans	-153.2	113.8	165.3	-143	0	0	0	0	112.3
75	K	26.3	Very low	29.2	Very low	171 Å²	171	142.1 Å²	142.1	74%	0.743	71%	0.709	S	S	*	*			trans	-85	150.9	177.3	-66.3	177	-179.8	174.4	0	111.1
76	S	31.3	Very low	29	Very low	127 Å²	127	144.1 Å²	144.1	89%	0.888	72%	0.723	S	S	*	*			trans	-169.1	123.8	148	-83.8	0	0	0	0	109.3
77	Q	24.9	Very low	28.8	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	72%	0.723	S	S	*	*			trans	-93.3	147.9	172.9	-70.1	147	-80.8	0	0	110
78	F	27.2	Very low	28.6	Very low	217 Å²	217	144.1 Å²	144.1	95%	0.952	73%	0.732	S	S	*	*			trans	-153.5	138.4	142.4	-103.1	-71.1	0	0	0	108.5
79	I	24.7	Very low	28.5	Very low	135 Å²	135	144.3 Å²	144.3	69%	0.692	75%	0.746	S	S	*	*			trans	-116.8	132.9	-178.2	-63	172.4	0	0	0	108.1
80	F	29.1	Very low	28.5	Very low	219 Å²	219	140.7 Å²	140.7	96%	0.961	74%	0.743	S	S	*	*			trans	-146.7	159.5	144.9	-111.6	-78.6	0	0	0	109.4
81	N	27	Very low	28.4	Very low	118 Å²	118	139.7 Å²	139.7	63%	0.631	74%	0.738	S	S	*	*			trans	-140.7	162.4	-148	-166.1	2.7	0	0	0	112.7
82	R	28	Very low	28.3	Very low	203 Å²	203	139.8 Å²	139.8	77%	0.766	75%	0.745	S	S	*	*			trans	67.5	155.7	173.9	-68.4	-179.7	168	163.5	-3.9	115
83	N	28.4	Very low	28.3	Very low	113 Å²	113	136.6 Å²	136.6	60%	0.604	74%	0.74	S	S	*	*			cis	-148.4	135.3	-5.5	-114.8	-8.9	0	0	0	107.2
84	R	28.5	Very low	28.3	Very low	70 Å²	70	141.2 Å²	141.2	26%	0.264	75%	0.752	S	S	.	*				80.1	113.1	74.1	-177.3	177.5	-120.9	-67.4	-8.4	114	C796 G797 L798	R84-C796 PolarHBondContact NH1-SG 3.18Å; R84-G797 PolarHBondContact NE-O 2.81Å; R84-G797 PolarHBondContact NH2-O 2.89Å; R84-L798 HydrophobicContact CB-CD1 3.61Å; R84-L798 HydrophobicContact CG-CD1 3.62Å
85	H	31.4	Very low	28.4	Very low	167 Å²	167	139.6 Å²	139.6	77%	0.773	74%	0.742	S	S	*	*				-169	154.8	129.6	-109.1	-78.5	0	0	0	112.1
86	N	28.5	Very low	28.7	Very low	118 Å²	118	136.6 Å²	136.6	63%	0.631	74%	0.743	S	S	*	*			trans	-115.4	160.6	-177.1	-64.8	2.5	0	0	0	111.4
87	S	30.1	Very low	28.6	Very low	119 Å²	119	138.1 Å²	138.1	83%	0.832	74%	0.739	S	S	*	*				-162.3	157.4	126.4	54	0	0	0	0	112.3
88	N	27.7	Very low	28.7	Very low	165 Å²	165	135.6 Å²	135.6	88%	0.882	74%	0.74	S	S	*	*			trans	-107.1	166.1	-179.4	-58	-21.3	0	0	0	110.8
89	G	28.9	Very low	29.1	Very low	78 Å²	78	130.2 Å²	130.2	80%	0.804	73%	0.727	S	S	*	*			trans	-172.2	142.3	165.3	0	0	0	0	0	111.9
90	S	28.3	Very low	29.4	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	73%	0.732	S	S	*	*			trans	-153.3	179.3	-171.5	65.2	0	0	0	0	113.6
91	N	27.1	Very low	29.4	Very low	127 Å²	127	128.1 Å²	128.1	68%	0.679	72%	0.723	S	S	*	*			trans	96.7	126.1	156.6	-59.9	-3.1	0	0	0	120.5
92	T	28.6	Very low	29.5	Very low	131 Å²	131	126.6 Å²	126.6	80%	0.804	72%	0.721	S	S	*	*			trans	71.4	156.5	132.3	58.4	0	0	0	0	120.4
93	S	30.2	Very low	29.5	Very low	91 Å²	91	122.4 Å²	122.4	64%	0.636	72%	0.719	S	S	*	*			cis	-175.1	-166.5	-15.2	53.4	0	0	0	0	110.4
94	K	29.8	Very low	29.5	Very low	193 Å²	193	124.5 Å²	124.5	84%	0.839	73%	0.729	S	S	*	*			trans	82.3	157.3	163.1	-68.1	175.9	-176.1	-177.9	0	117.8
95	S	31.7	Very low	29.7	Very low	100 Å²	100	126.1 Å²	126.1	70%	0.699	75%	0.749	S	S	*	*			cis	178.9	164.1	-18.8	55.1	0	0	0	0	109.8
96	S	30.8	Very low	29.6	Very low	107 Å²	107	124.8 Å²	124.8	75%	0.748	75%	0.747	S	S	*	*			cis	-177.4	-148.8	-26.8	61.8	0	0	0	0	108.1
97	I	29.5	Very low	29.5	Very low	159 Å²	159	124.1 Å²	124.1	82%	0.815	75%	0.752	S	S	*	*			trans	97.8	138.2	162.9	-51.6	-175.2	0	0	0	118.2
98	S	27.7	Very low	29.3	Very low	111 Å²	111	123.1 Å²	123.1	78%	0.776	75%	0.745	S	S	*	*			trans	-120.1	-132.5	-171.4	-38.4	0	0	0	0	110.1
99	P	36.1	Very low	29.3	Very low	105 Å²	105	121.9 Å²	121.9	68%	0.682	74%	0.743	S	S	*	*			cis	-143.8	-177.8	-4.6	46.9	-28.6	0	0	0	117.7
100	M	29.6	Very low	29.3	Very low	162 Å²	162	122 Å²	122	80%	0.798	74%	0.737	S	S	*	*			trans	66.1	147.1	148.6	-63.4	-116.4	157.5	0	0	120
101	L	30.1	Very low	29.2	Very low	147 Å²	147	126.6 Å²	126.6	77%	0.77	74%	0.744	S	S	*	*			cis	-166.3	-168.4	-15.7	-142.6	64.7	0	0	0	107.1
102	S	28.4	Very low	29.3	Very low	86 Å²	86	132.2 Å²	132.2	60%	0.601	76%	0.755	S	S	*	*			cis	-165.5	166.3	2.1	58.3	0	0	0	0	114.2
103	T	27.7	Very low	29.4	Very low	116 Å²	116	131.1 Å²	131.1	71%	0.712	75%	0.753	S	S	*	*			trans	54.2	104.6	146.6	50.7	0	0	0	0	124.1
104	L	29	Very low	29.9	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	76%	0.755	S	S	*	*				40.5	159.6	97.7	-74.7	160.8	0	0	0	121.4
105	P	33.4	Very low	30.3	Very low	105 Å²	105	128.6 Å²	128.6	68%	0.682	75%	0.754	S	S	*	*			cis	-143.4	174	-6.3	39.7	-19.4	0	0	0	119
106	N	28.5	Very low	30.3	Very low	139 Å²	139	132.3 Å²	132.3	74%	0.743	76%	0.76	S	S	*	*			trans	53.3	112.2	138.9	-67.2	2.1	0	0	0	126.4
107	S	26.6	Very low	30.4	Very low	103 Å²	103	134.8 Å²	134.8	72%	0.72	76%	0.763	S	S	*	*				89.8	135.1	111.8	78.7	0	0	0	0	125.5
108	S	26.4	Very low	30.5	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	76%	0.763	S	S	*	*			trans	95	144.9	135.5	81.4	0	0	0	0	122.9
109	T	27.2	Very low	30.7	Very low	139 Å²	139	135.8 Å²	135.8	85%	0.853	76%	0.762	S	S	*	*			trans	70.5	154.6	169.4	75.4	0	0	0	0	116.7
110	A	28	Very low	30.7	Very low	81 Å²	81	136.7 Å²	136.7	67%	0.669	77%	0.768	S	S	*	*			cis	-158	170.1	-3.9	0	0	0	0	0	112.7
111	F	26	Very low	30.7	Very low	203 Å²	203	136.8 Å²	136.8	89%	0.89	77%	0.766	S	S	*	*			trans	6.5	139	155.5	-65.8	-98.6	0	0	0	119.7
112	R	30.4	Very low	30.8	Very low	245 Å²	245	137.8 Å²	137.8	93%	0.925	77%	0.77	S	S	*	*				-169.4	170.4	71.6	-133.7	176	-176.3	-156.1	0.3	113.5
113	S	29.5	Very low	30.8	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	78%	0.777	S	S	*	*			trans	-137.5	-157.7	-179.6	51.9	0	0	0	0	112.7
114	P	42	Very low	30.8	Very low	104 Å²	104	141.7 Å²	141.7	68%	0.675	77%	0.774	S	S	*	*				-100.7	-161.9	-104.4	38.8	-22.4	0	0	0	114
115	P	37.8	Very low	30.7	Very low	127 Å²	127	142.2 Å²	142.2	83%	0.825	77%	0.772	S	S	*	*				-151.3	-179	97.8	40.1	-21.5	0	0	0	117.3
116	H	31.6	Very low	30.6	Very low	177 Å²	177	142.8 Å²	142.8	82%	0.819	78%	0.779	S	S	*	*			trans	-96.8	163.1	-179.8	-70.8	-106	0	0	0	114.9
117	I	32.7	Very low	30.8	Very low	159 Å²	159	141.7 Å²	141.7	82%	0.815	78%	0.782	S	S	*	*			trans	-175.3	143	150	-109.4	160.3	0	0	0	108.9
118	T	32.4	Very low	30.9	Very low	133 Å²	133	143.8 Å²	143.8	82%	0.816	78%	0.784	S	S	*	*			cis	-157.5	175.4	-30	8.3	0	0	0	0	109.3
119	Q	31.7	Very low	31.2	Very low	159 Å²	159	145 Å²	145	74%	0.743	79%	0.79	S	S	*	*			trans	-107.6	170.8	176.2	-139.5	178.6	18.8	0	0	111.4
120	P	36.9	Very low	31.1	Very low	124 Å²	124	145.3 Å²	145.3	81%	0.805	79%	0.786	S	S	*	*				-155.9	-179.1	86.7	41	-20.4	0	0	0	117.9
121	H	29.1	Very low	31.2	Very low	163 Å²	163	149.2 Å²	149.2	76%	0.755	79%	0.794	S	S	*	*			trans	-100.1	153.3	175.1	-100.5	-94.7	0	0	0	113.5
122	I	32.4	Very low	31.2	Very low	168 Å²	168	147.6 Å²	147.6	86%	0.862	79%	0.789	S	S	*	*			trans	-140	170.1	156.1	-64.5	-170.2	0	0	0	109.4
123	Q	27.7	Very low	31.4	Very low	161 Å²	161	142 Å²	142	75%	0.752	79%	0.785	S	S	*	*			trans	-148	166.8	-150	-150.8	-169	1.5	0	0	114.7
124	L	27.7	Very low	31.4	Very low	124 Å²	124	143.5 Å²	143.5	65%	0.649	79%	0.79	S	S	*	*			trans	87.8	116	152.7	-61.1	170.4	0	0	0	124.5
125	Q	26.4	Very low	30.6	Very low	167 Å²	167	144 Å²	144	78%	0.78	80%	0.795	S	S	*	*				81.1	156.6	123.1	-76.6	-177.5	-25.1	0	0	126.5
126	S	32.2	Very low	30.3	Very low	117 Å²	117	146.4 Å²	146.4	82%	0.818	80%	0.801	S	S	*	*			trans	80.4	145.2	169.6	74.1	0	0	0	0	118.8
127	S	33	Very low	30.1	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	80%	0.795	S	S	*	*			cis	-162.3	169.3	-23.4	46.7	0	0	0	0	112.3
128	L	27.3	Very low	29.9	Very low	146 Å²	146	144.9 Å²	144.9	76%	0.764	80%	0.798	S	S	*	*			trans	-63.6	166.5	-175.7	-113.2	77.5	0	0	0	115.6	L130	L128-L130 HydrophobicContact CD2-CD1 3.85Å; L128-L130 HydrophobicContact CG-CD1 4.43Å
129	P	33.2	Very low	29.9	Very low	123 Å²	123	144.1 Å²	144.1	80%	0.799	80%	0.796	S	S	*	*				-148.6	-179.1	55.3	42	-20.9	0	0	0	119.2
130	L	25.9	Very low	29.8	Very low	147 Å²	147	144.2 Å²	144.2	77%	0.77	80%	0.8	S	S	*	*			trans	-91	158.8	176	-77	68.8	0	0	0	113.3	L128	L128-L130 HydrophobicContact CD2-CD1 3.85Å; L128-L130 HydrophobicContact CG-CD1 4.43Å
131	L	30.1	Very low	29.5	Very low	162 Å²	162	144.1 Å²	144.1	85%	0.848	80%	0.799	S	S	*	*			trans	-166.9	174.1	133.7	-106.4	163.7	0	0	0	112.5
132	Q	26.3	Very low	29.5	Very low	169 Å²	169	142.2 Å²	142.2	79%	0.79	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-91.5	156.2	-156.9	-60.1	160.1	-62.8	0	0	116.1
133	P	32.7	Very low	29.4	Very low	128 Å²	128	140.5 Å²	140.5	83%	0.831	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-87.7	139.8	161.4	34.8	-31.3	0	0	0	112.3
134	T	30.9	Very low	29.6	Very low	140 Å²	140	137.6 Å²	137.6	86%	0.859	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-99.9	152.5	175.2	47.1	0	0	0	0	113.1
135	S	25.4	Very low	29.8	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-71.6	149.4	-179.7	55.4	0	0	0	0	115
136	L	30.4	Very low	30	Very low	179 Å²	179	136.4 Å²	136.4	94%	0.937	80%	0.802	S	S	*	*			trans	-140.6	145.5	150.9	-103.9	169.5	0	0	0	109
137	S	26.7	Very low	29.9	Very low	99 Å²	99	135.2 Å²	135.2	69%	0.692	79%	0.792	S	S	*	*			trans	-137.7	157.8	-163.8	53.2	0	0	0	0	113
138	F	29.3	Very low	29.8	Very low	204 Å²	204	138 Å²	138	90%	0.895	80%	0.798	S	S	*	*			trans	-128.8	143.6	164.3	-86.4	-85.5	0	0	0	109.8
139	P	32.5	Very low	30.1	Very low	118 Å²	118	135.8 Å²	135.8	77%	0.766	79%	0.794	S	S	*	*			trans	-96.5	155.8	-163	36.9	-36.3	0	0	0	114.7
140	I	30.3	Very low	29.9	Very low	160 Å²	160	136.3 Å²	136.3	82%	0.821	79%	0.789	S	S	*	*			trans	-121.3	145.4	162.3	-67.4	178.6	0	0	0	107.4
141	P	30	Very low	30.1	Very low	122 Å²	122	136.7 Å²	136.7	79%	0.792	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-68.7	150.5	-161.2	-23.1	35.7	0	0	0	116.1
142	S	29.3	Very low	30	Very low	123 Å²	123	134.6 Å²	134.6	86%	0.86	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-79.4	121.7	176.9	-46.4	0	0	0	0	112.1
143	V	30.8	Very low	30.2	Very low	133 Å²	133	137.5 Å²	137.5	81%	0.806	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-89.6	132.7	164.7	-179.4	0	0	0	0	108.5
144	P	30.4	Very low	30.2	Very low	99 Å²	99	136.8 Å²	136.8	64%	0.643	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.1	148.6	-175.9	28.4	-35.5	0	0	0	112.6	L146	P144-L146 PolarHBondContact O-N 3.17Å
145	P	32.4	Very low	30.4	Very low	126 Å²	126	134.8 Å²	134.8	82%	0.818	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-70.3	129.3	178.2	29.1	-34.3	0	0	0	111.4
146	L	30.6	Very low	30.8	Very low	140 Å²	140	133.8 Å²	133.8	73%	0.733	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-75.4	148.7	166.5	-86.8	79.1	0	0	0	110.4	P144	P144-L146 PolarHBondContact O-N 3.17Å
147	P	31.6	Very low	31.2	Very low	93 Å²	93	128.1 Å²	128.1	60%	0.604	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-71.1	144.6	-178.3	28.6	-35	0	0	0	112.9	S149	P147-S149 PolarHBondContact O-N 3.09Å
148	N	30.2	Very low	31.8	Very low	175 Å²	175	128 Å²	128	94%	0.936	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	34.9	-174.1	-67.1	-22.3	0	0	0	115.1
149	S	33.2	Very low	32.2	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	8.5	-170.9	63.8	0	0	0	0	115.4	P147	P147-S149 PolarHBondContact O-N 3.09Å
150	L	29.8	Very low	32.6	Very low	134 Å²	134	120.5 Å²	120.5	70%	0.702	68%	0.679	S	S	*	*	S	Bend	trans	-119.1	-3.5	-174	-83.4	165.4	0	0	0	115.7	C152	L150-C152 VanDerWaalsContact C-N 3.29Å; L150-C152 PolarHBondContact O-N 2.98Å
151	F	29.5	Very low	33.5	Very low	156 Å²	156	116.1 Å²	116.1	68%	0.684	66%	0.66	S	S	*	*			trans	-86.7	13.5	-177.1	-98.2	-81.2	0	0	0	115.5	F158	F151-F158 HydrophobicContact CE1-CB 4.43Å; F151-F158 HydrophobicContact CE1-CD1 4.22Å; F151-F158 HydrophobicContact CE1-CD2 4.34Å; F151-F158 HydrophobicContact CE1-CG 4.06Å; F151-F158 HydrophobicContact CE2-CD2 4.03Å; F151-F158 HydrophobicContact CE2-CE2 4.02Å; F151-F158 HydrophobicContact CZ-CB 4.37Å; F151-F158 AromaticContact CZ-CD1 3.86Å; F151-F158 HydrophobicContact CZ-CD1 3.86Å; F151-F158 AromaticContact CZ-CD2 3.48Å; F151-F158 HydrophobicContact CZ-CD2 3.48Å; F151-F158 VanDerWaalsContact CZ-CD2 3.48Å; F151-F158 AromaticContact CZ-CE1 3.98Å; F151-F158 HydrophobicContact CZ-CE1 3.98Å; F151-F158 AromaticContact CZ-CE2 3.61Å; F151-F158 HydrophobicContact CZ-CE2 3.61Å; F151-F158 AromaticContact CZ-CG 3.62Å; F151-F158 HydrophobicContact CZ-CG 3.62Å; F151-F158 AromaticContact CZ-CZ 3.86Å; F151-F158 HydrophobicContact CZ-CZ 3.86Å
152	C	28.2	Very low	34.2	Very low	118 Å²	118	113 Å²	113	80%	0.797	64%	0.637	S	S	*	*	S	Bend	trans	-109.9	117.2	166.7	-63.1	0	0	0	0	109.5	L150	L150-C152 VanDerWaalsContact C-N 3.29Å; L150-C152 PolarHBondContact O-N 2.98Å
153	R	30.9	Very low	35	Very low	230 Å²	230	110.3 Å²	110.3	87%	0.868	61%	0.611	S	S	*	*	S	Bend	trans	92.9	131.1	-173	-56.4	167.7	175.4	179.7	-2.9	114.3
154	N	31.3	Very low	36	Very low	113 Å²	113	110.5 Å²	110.5	60%	0.604	61%	0.608	S	S	*	*			trans	54.5	79	172.4	-62.9	14.6	0	0	0	117.6	T156 S157	N154-T156 PolarHBondContact O-N 2.74Å; N154-S157 PolarHBondContact O-N 3.25Å; N154-S157 VanDerWaalsContact O-N 3.07Å; N154-S157 PolarHBondContact O-OG 2.82Å
155	S	36.2	Very low	37.2	Very low	98 Å²	98	115.7 Å²	115.7	69%	0.685	61%	0.614	S	S	*	*	H	α-helix	trans	-52.9	-34.3	166.6	47.6	0	0	0	0	113.9	S157 F158 Y159	S155-S157 VanDerWaalsContact C-N 3.29Å; S155-S157 PolarHBondContact O-N 2.67Å; S155-F158 PolarHBondContact O-N 2.83Å; S155-Y159 PolarHBondContact O-N 3.27Å
156	T	34.2	Very low	38	Very low	91 Å²	91	111.9 Å²	111.9	56%	0.558	59%	0.587	S	S	*	*	H	α-helix	trans	-59.6	-34.4	175.3	42.8	0	0	0	0	113.5	N154 Y159 S160	N154-T156 PolarHBondContact O-N 2.74Å; T156-Y159 PolarHBondContact O-N 2.86Å; T156-S160 PolarHBondContact O-N 3.36Å; T156-S160 VanDerWaalsContact O-N 3.09Å; T156-S160 PolarHBondContact O-OG 2.87Å
157	S	38.5	Very low	39.1	Very low	60 Å²	60	110.2 Å²	110.2	42%	0.42	58%	0.579	S	S	.	*	H	α-helix	trans	-72.6	-29.6	179.5	69.5	0	0	0	0	113.3	N154 S155 S160 T161	N154-S157 PolarHBondContact O-N 3.25Å; N154-S157 VanDerWaalsContact O-N 3.07Å; N154-S157 PolarHBondContact O-OG 2.82Å; S155-S157 VanDerWaalsContact C-N 3.29Å; S155-S157 PolarHBondContact O-N 2.67Å; S157-S160 PolarHBondContact O-OG 2.84Å; S157-T161 VanDerWaalsContact O-CB 3.31Å; S157-T161 WeakPolarHBondContact O-CB 3.34Å; S157-T161 PolarHBondContact O-N 3.49Å; S157-T161 PolarHBondContact O-OG1 3.09Å
158	F	38.4	Very low	39.8	Very low	97 Å²	97	110.3 Å²	110.3	43%	0.425	58%	0.58	S	S	.	*	H	α-helix	trans	-71.3	-45.7	172.5	-178	-102.6	0	0	0	110.9	F151 S155 S160 T161 L162	F151-F158 HydrophobicContact CE1-CB 4.43Å; F151-F158 HydrophobicContact CE1-CD1 4.22Å; F151-F158 HydrophobicContact CE1-CD2 4.34Å; F151-F158 HydrophobicContact CE1-CG 4.06Å; F151-F158 HydrophobicContact CE2-CD2 4.03Å; F151-F158 HydrophobicContact CE2-CE2 4.02Å; F151-F158 HydrophobicContact CZ-CB 4.37Å; F151-F158 AromaticContact CZ-CD1 3.86Å; F151-F158 HydrophobicContact CZ-CD1 3.86Å; F151-F158 AromaticContact CZ-CD2 3.48Å; F151-F158 HydrophobicContact CZ-CD2 3.48Å; F151-F158 VanDerWaalsContact CZ-CD2 3.48Å; F151-F158 AromaticContact CZ-CE1 3.98Å; F151-F158 HydrophobicContact CZ-CE1 3.98Å; F151-F158 AromaticContact CZ-CE2 3.61Å; F151-F158 HydrophobicContact CZ-CE2 3.61Å; F151-F158 AromaticContact CZ-CG 3.62Å; F151-F158 HydrophobicContact CZ-CG 3.62Å; F151-F158 AromaticContact CZ-CZ 3.86Å; F151-F158 HydrophobicContact CZ-CZ 3.86Å; S155-F158 PolarHBondContact O-N 2.83Å; F158-S160 PolarHBondContact O-N 2.9Å; F158-T161 PolarHBondContact O-N 2.84Å; F158-L162 HydrophobicContact CE1-CD2 4.32Å; F158-L162 HydrophobicContact CZ-CD1 4.35Å; F158-L162 WeakPolarHBondContact O-CB 3.34Å; F158-L162 PolarHBondContact O-N 3.08Å
159	Y	38.8	Very low	40.7	Very low	105 Å²	105	108.3 Å²	108.3	41%	0.412	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-39.5	-176.7	-138.1	-94.4	0	0	0	112.8	S155 T156 L162 M163	S155-Y159 PolarHBondContact O-N 3.27Å; T156-Y159 PolarHBondContact O-N 2.86Å; Y159-L162 PolarHBondContact O-N 2.92Å; Y159-M163 HydrophobicContact CD1-CE 4.33Å; Y159-M163 HydrophobicContact CD1-CG 4.28Å; Y159-M163 HydrophobicContact CE1-CE 3.61Å; Y159-M163 HydrophobicContact CE1-CG 4.47Å; Y159-M163 WeakPolarHBondContact O-CG 3.47Å; Y159-M163 PolarHBondContact O-N 2.93Å
160	S	40.8	Very low	41.6	Very low	59 Å²	59	109.8 Å²	109.8	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-68.1	-38.5	173.3	61.4	0	0	0	0	112.6	T156 S157 F158 L162 N164	T156-S160 PolarHBondContact O-N 3.36Å; T156-S160 VanDerWaalsContact O-N 3.09Å; T156-S160 PolarHBondContact O-OG 2.87Å; S157-S160 PolarHBondContact O-OG 2.84Å; F158-S160 PolarHBondContact O-N 2.9Å; S160-L162 VanDerWaalsContact C-N 3.28Å; S160-L162 PolarHBondContact O-N 3.39Å; S160-N164 VanDerWaalsContact O-CB 3.25Å; S160-N164 WeakPolarHBondContact O-CB 3.34Å; S160-N164 VanDerWaalsContact O-CG 3.24Å; S160-N164 PolarHBondContact O-N 3.32Å; S160-N164 PolarHBondContact O-ND2 3.24Å
161	T	48.6	Very low	42.8	Very low	68 Å²	68	105.8 Å²	105.8	42%	0.417	54%	0.544	S	S	.	.	H	α-helix	trans	-66	-31.5	174.4	-58.4	0	0	0	0	112.4	S157 F158 R165	S157-T161 VanDerWaalsContact O-CB 3.31Å; S157-T161 WeakPolarHBondContact O-CB 3.34Å; S157-T161 PolarHBondContact O-N 3.49Å; S157-T161 PolarHBondContact O-OG1 3.09Å; F158-T161 PolarHBondContact O-N 2.84Å; T161-R165 WeakPolarHBondContact O-CB 3.3Å; T161-R165 WeakPolarHBondContact O-CG 3.5Å
162	L	45	Very low	43.8	Very low	57 Å²	57	104.2 Å²	104.2	30%	0.298	54%	0.538	S	S	.	.	H	α-helix	trans	-72.3	-50.8	176.2	-165.6	73.3	0	0	0	111	F158 Y159 S160 N164 R165 I166	F158-L162 HydrophobicContact CE1-CD2 4.32Å; F158-L162 HydrophobicContact CZ-CD1 4.35Å; F158-L162 WeakPolarHBondContact O-CB 3.34Å; F158-L162 PolarHBondContact O-N 3.08Å; Y159-L162 PolarHBondContact O-N 2.92Å; S160-L162 VanDerWaalsContact C-N 3.28Å; S160-L162 PolarHBondContact O-N 3.39Å; L162-N164 PolarHBondContact O-N 3.25Å; L162-R165 PolarHBondContact O-N 3.38Å; L162-I166 HydrophobicContact CD1-CD1 3.77Å; L162-I166 HydrophobicContact CG-CD1 3.8Å; L162-I166 WeakPolarHBondContact O-CG1 3.15Å; L162-I166 PolarHBondContact O-N 3.13Å
163	M	46.1	Very low	45.5	Very low	66 Å²	66	102.5 Å²	102.5	33%	0.325	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-38.3	178.7	-71.8	-64.1	-173.1	0	0	112.5	Y159 R165 L171	Y159-M163 HydrophobicContact CD1-CE 4.33Å; Y159-M163 HydrophobicContact CD1-CG 4.28Å; Y159-M163 HydrophobicContact CE1-CE 3.61Å; Y159-M163 HydrophobicContact CE1-CG 4.47Å; Y159-M163 WeakPolarHBondContact O-CG 3.47Å; Y159-M163 PolarHBondContact O-N 2.93Å; M163-R165 PolarHBondContact O-N 3.36Å; M163-R165 VanDerWaalsContact O-N 3.13Å; M163-L171 HydrophobicContact CE-CD1 4.24Å; M163-L171 HydrophobicContact CE-CD2 4.44Å; M163-L171 HydrophobicContact SD-CD1 3.93Å; M163-L171 HydrophobicContact SD-CD2 3.84Å
164	N	52.1	Low	46.6	Very low	138 Å²	138	94.1 Å²	94.1	74%	0.738	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	7.7	177.8	-69.1	-16.9	0	0	0	114.4	S160 L162	S160-N164 VanDerWaalsContact O-CB 3.25Å; S160-N164 WeakPolarHBondContact O-CB 3.34Å; S160-N164 VanDerWaalsContact O-CG 3.24Å; S160-N164 PolarHBondContact O-N 3.32Å; S160-N164 PolarHBondContact O-ND2 3.24Å; L162-N164 PolarHBondContact O-N 3.25Å
165	R	54.5	Low	47.6	Very low	207 Å²	207	92.2 Å²	92.2	78%	0.781	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	-6.6	-176.8	-72.3	-174.5	172.4	-175.9	-0.9	115.6	T161 L162 M163	T161-R165 WeakPolarHBondContact O-CB 3.3Å; T161-R165 WeakPolarHBondContact O-CG 3.5Å; L162-R165 PolarHBondContact O-N 3.38Å; M163-R165 PolarHBondContact O-N 3.36Å; M163-R165 VanDerWaalsContact O-N 3.13Å
166	I	50.2	Low	48.5	Very low	46 Å²	46	92.8 Å²	92.8	24%	0.236	48%	0.475	C	S	.	.	S	Bend	trans	-102.8	122.5	178.1	-65.7	-176.9	0	0	0	108.9	L162 Q170 L171 L174	L162-I166 HydrophobicContact CD1-CD1 3.77Å; L162-I166 HydrophobicContact CG-CD1 3.8Å; L162-I166 WeakPolarHBondContact O-CG1 3.15Å; L162-I166 PolarHBondContact O-N 3.13Å; I166-Q170 HydrophobicContact CG2-CB 3.88Å; I166-L171 HydrophobicContact CG2-CB 3.89Å; I166-L171 HydrophobicContact CG2-CD1 4.45Å; I166-L174 HydrophobicContact CD1-CD2 3.8Å
167	D	52.5	Low	49.4	Very low	105 Å²	105	93.5 Å²	93.5	56%	0.561	47%	0.473	S	S	*	.			trans	-53.4	136.5	173	-134.3	-31.3	0	0	0	110.3	D169 Q170 L171	D167-D169 PolarHBondContact O-N 3.07Å; D167-D169 VanDerWaalsContact O-N 3.13Å; D167-Q170 HydrophobicContact CB-CB 4.21Å; D167-Q170 HydrophobicContact CB-CG 4.16Å; D167-Q170 CarbonylContact O-C 3.6Å; D167-Q170 WeakPolarHBondContact O-CA 3.28Å; D167-Q170 WeakPolarHBondContact O-CB 3.35Å; D167-Q170 PolarHBondContact O-N 3.01Å; D167-L171 PolarHBondContact O-N 2.72Å
168	P	47.9	Very low	49.9	Very low	96 Å²	96	93.8 Å²	93.8	62%	0.623	47%	0.469	S	S	*	.	H	α-helix	trans	-54.9	-36.5	-175.2	-29.2	37	0	0	0	114.2	Q170 L171 H172	P168-Q170 VanDerWaalsContact C-N 3.35Å; P168-Q170 PolarHBondContact O-N 3.24Å; P168-L171 WeakPolarHBondContact O-CB 3.43Å; P168-L171 PolarHBondContact O-N 3.27Å; P168-H172 PolarHBondContact O-N 3.32Å
169	D	49.1	Very low	50.2	Low	133 Å²	133	91.6 Å²	91.6	71%	0.711	46%	0.462	S	S	*	.	H	α-helix	trans	-64.7	-37.7	174	-72.2	-16.7	0	0	0	112.1	D167 H172 V173	D167-D169 PolarHBondContact O-N 3.07Å; D167-D169 VanDerWaalsContact O-N 3.13Å; D169-H172 PolarHBondContact O-N 3.14Å; D169-V173 WeakPolarHBondContact O-CG2 3.42Å; D169-V173 PolarHBondContact O-N 3.09Å; D169-V173 VanDerWaalsContact O-N 3.15Å
170	Q	51.3	Low	50.8	Low	129 Å²	129	89.7 Å²	89.7	60%	0.603	46%	0.459	S	S	*	.	H	α-helix	trans	-74.9	-28.8	173.7	-65.8	-161.2	35.5	0	0	112.5	I166 D167 P168 H172 V173 L174	I166-Q170 HydrophobicContact CG2-CB 3.88Å; D167-Q170 HydrophobicContact CB-CB 4.21Å; D167-Q170 HydrophobicContact CB-CG 4.16Å; D167-Q170 CarbonylContact O-C 3.6Å; D167-Q170 WeakPolarHBondContact O-CA 3.28Å; D167-Q170 WeakPolarHBondContact O-CB 3.35Å; D167-Q170 PolarHBondContact O-N 3.01Å; P168-Q170 VanDerWaalsContact C-N 3.35Å; P168-Q170 PolarHBondContact O-N 3.24Å; Q170-H172 VanDerWaalsContact C-N 3.32Å; Q170-V173 PolarHBondContact O-N 3.49Å; Q170-L174 WeakPolarHBondContact O-CB 3.34Å; Q170-L174 PolarHBondContact O-N 2.86Å
171	L	55.8	Low	51.1	Low	50 Å²	50	90.1 Å²	90.1	26%	0.262	46%	0.459	S	S	.	.	H	α-helix	trans	-65.7	-38.5	171.9	-173	65.2	0	0	0	110.5	M163 I166 D167 P168 L174 M175	M163-L171 HydrophobicContact CE-CD1 4.24Å; M163-L171 HydrophobicContact CE-CD2 4.44Å; M163-L171 HydrophobicContact SD-CD1 3.93Å; M163-L171 HydrophobicContact SD-CD2 3.84Å; I166-L171 HydrophobicContact CG2-CB 3.89Å; I166-L171 HydrophobicContact CG2-CD1 4.45Å; D167-L171 PolarHBondContact O-N 2.72Å; P168-L171 WeakPolarHBondContact O-CB 3.43Å; P168-L171 PolarHBondContact O-N 3.27Å; L171-L174 PolarHBondContact O-N 3.42Å; L171-M175 VanDerWaalsContact O-CB 3.31Å; L171-M175 WeakPolarHBondContact O-CB 3.37Å; L171-M175 WeakPolarHBondContact O-CG 3.37Å; L171-M175 PolarHBondContact O-N 3.3Å
172	H	50.3	Low	50.8	Low	122 Å²	122	90.8 Å²	90.8	57%	0.565	46%	0.463	S	S	*	.	H	α-helix	trans	-61.8	-45.7	171.2	-173.1	100.9	0	0	0	111.7	P168 D169 Q170 M175 K176	P168-H172 PolarHBondContact O-N 3.32Å; D169-H172 PolarHBondContact O-N 3.14Å; Q170-H172 VanDerWaalsContact C-N 3.32Å; H172-M175 PolarHBondContact O-N 3.02Å; H172-K176 VanDerWaalsContact O-CB 3.3Å; H172-K176 WeakPolarHBondContact O-CB 3.31Å; H172-K176 PolarHBondContact O-N 3.45Å
173	V	62.4	Low	50.7	Low	82 Å²	82	90.7 Å²	90.7	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-64.4	-40.8	177.1	173.9	0	0	0	0	111.8	D169 Q170 K176 M177	D169-V173 WeakPolarHBondContact O-CG2 3.42Å; D169-V173 PolarHBondContact O-N 3.09Å; D169-V173 VanDerWaalsContact O-N 3.15Å; Q170-V173 PolarHBondContact O-N 3.49Å; V173-K176 PolarHBondContact O-N 3.23Å; V173-M177 HydrophobicContact CG1-CE 4.41Å; V173-M177 WeakPolarHBondContact O-CG 3.44Å; V173-M177 PolarHBondContact O-N 3.27Å
174	L	55.2	Low	50.4	Low	55 Å²	55	91.7 Å²	91.7	29%	0.288	47%	0.472	S	S	.	.	H	α-helix	trans	-65.9	-47.3	177.1	-174.9	69.2	0	0	0	111.4	I166 Q170 L171 K176 M177 L178	I166-L174 HydrophobicContact CD1-CD2 3.8Å; Q170-L174 WeakPolarHBondContact O-CB 3.34Å; Q170-L174 PolarHBondContact O-N 2.86Å; L171-L174 PolarHBondContact O-N 3.42Å; L174-K176 VanDerWaalsContact C-N 3.29Å; L174-K176 PolarHBondContact O-N 3.27Å; L174-M177 HydrophobicContact CD1-CE 4.18Å; L174-M177 PolarHBondContact O-N 2.9Å; L174-L178 HydrophobicContact CG-CD1 4.16Å; L174-L178 WeakPolarHBondContact O-CB 3.42Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 3.36Å
175	M	51.1	Low	49.7	Very low	72 Å²	72	87.1 Å²	87.1	36%	0.355	46%	0.457	S	S	.	.	H	α-helix	trans	-63	-35.9	174.8	-80.6	-67.4	179.9	0	0	111.7	L171 H172 N179	L171-M175 VanDerWaalsContact O-CB 3.31Å; L171-M175 WeakPolarHBondContact O-CB 3.37Å; L171-M175 WeakPolarHBondContact O-CG 3.37Å; L171-M175 PolarHBondContact O-N 3.3Å; H172-M175 PolarHBondContact O-N 3.02Å; M175-N179 WeakPolarHBondContact O-CB 3.42Å; M175-N179 PolarHBondContact O-N 2.86Å
176	K	56.1	Low	48.8	Very low	110 Å²	110	83.6 Å²	83.6	48%	0.478	45%	0.453	S	S	.	.	H	α-helix	trans	-65.3	-49.4	172.9	-164.9	-167.3	174.5	-160.2	0	111.3	H172 V173 L174 L178 N179 D180	H172-K176 VanDerWaalsContact O-CB 3.3Å; H172-K176 WeakPolarHBondContact O-CB 3.31Å; H172-K176 PolarHBondContact O-N 3.45Å; V173-K176 PolarHBondContact O-N 3.23Å; L174-K176 VanDerWaalsContact C-N 3.29Å; L174-K176 PolarHBondContact O-N 3.27Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 3.35Å; K176-N179 PolarHBondContact O-N 3.08Å; K176-D180 VanDerWaalsContact CE-OD2 3.25Å; K176-D180 WeakPolarHBondContact CE-OD2 3.46Å; K176-D180 IonicContact NZ-OD2 2.76Å; K176-D180 WeakPolarHBondContact O-CB 3.25Å; K176-D180 PolarHBondContact O-N 2.88Å
177	M	52.4	Low	48.3	Very low	106 Å²	106	86.9 Å²	86.9	52%	0.522	47%	0.471	S	S	.	.	H	α-helix	trans	-58.8	-40.4	176.1	-75.7	-167	-60.8	0	0	112.5	V173 L174 T181	V173-M177 HydrophobicContact CG1-CE 4.41Å; V173-M177 WeakPolarHBondContact O-CG 3.44Å; V173-M177 PolarHBondContact O-N 3.27Å; L174-M177 HydrophobicContact CD1-CE 4.18Å; L174-M177 PolarHBondContact O-N 2.9Å; M177-T181 VanDerWaalsContact O-CB 3.26Å; M177-T181 WeakPolarHBondContact O-CB 3.44Å; M177-T181 PolarHBondContact O-N 3.04Å; M177-T181 PolarHBondContact O-OG1 3.39Å
178	L	50.2	Low	47.4	Very low	66 Å²	66	87 Å²	87	35%	0.346	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-45.9	175.8	-74.3	168.7	0	0	0	111.2	L174 K176 T181 V182 L207	L174-L178 HydrophobicContact CG-CD1 4.16Å; L174-L178 WeakPolarHBondContact O-CB 3.42Å; L174-L178 WeakPolarHBondContact O-CG 3.48Å; L174-L178 PolarHBondContact O-N 3.36Å; K176-L178 VanDerWaalsContact C-N 3.3Å; K176-L178 PolarHBondContact O-N 3.35Å; L178-T181 PolarHBondContact O-N 2.84Å; L178-V182 WeakPolarHBondContact O-CB 3.29Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.47Å; L178-V182 PolarHBondContact O-N 3.3Å; L178-L207 HydrophobicContact CD2-CD1 3.9Å
179	N	44.2	Very low	46.6	Very low	51 Å²	51	88.7 Å²	88.7	27%	0.273	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-50.2	175.4	-124.9	61.5	0	0	0	111.3	M175 K176 T181 V182 T183 R305	M175-N179 WeakPolarHBondContact O-CB 3.42Å; M175-N179 PolarHBondContact O-N 2.86Å; K176-N179 PolarHBondContact O-N 3.08Å; N179-T181 VanDerWaalsContact C-N 3.25Å; N179-T181 PolarHBondContact O-N 2.93Å; N179-V182 PolarHBondContact O-N 3.27Å; N179-V182 VanDerWaalsContact O-N 3.15Å; N179-T183 PolarHBondContact O-N 3.48Å; N179-T183 PolarHBondContact O-OG1 3.2Å; N179-R305 VanDerWaalsContact CG-NH2 3.34Å; N179-R305 PolarHBondContact ND2-NH2 2.84Å; N179-R305 VanDerWaalsContact ND2-NH2 3.15Å
180	D	51.8	Low	45.7	Very low	65 Å²	65	90.2 Å²	90.2	35%	0.348	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-31.3	-179.4	-65.9	-7.7	0	0	0	111.2	K176 N184	K176-D180 VanDerWaalsContact CE-OD2 3.25Å; K176-D180 WeakPolarHBondContact CE-OD2 3.46Å; K176-D180 IonicContact NZ-OD2 2.76Å; K176-D180 WeakPolarHBondContact O-CB 3.25Å; K176-D180 PolarHBondContact O-N 2.88Å; D180-N184 VanDerWaalsContact O-CB 3.26Å; D180-N184 WeakPolarHBondContact O-CB 3.36Å; D180-N184 PolarHBondContact O-N 3.25Å; D180-N184 PolarHBondContact O-ND2 2.67Å
181	T	45.8	Very low	44.7	Very low	68 Å²	68	89 Å²	89	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-73.7	-40.4	173.6	-56.4	0	0	0	0	111.6	M177 L178 N179 G185	M177-T181 VanDerWaalsContact O-CB 3.26Å; M177-T181 WeakPolarHBondContact O-CB 3.44Å; M177-T181 PolarHBondContact O-N 3.04Å; M177-T181 PolarHBondContact O-OG1 3.39Å; L178-T181 PolarHBondContact O-N 2.84Å; N179-T181 VanDerWaalsContact C-N 3.25Å; N179-T181 PolarHBondContact O-N 2.93Å; T181-G185 WeakPolarHBondContact O-CA 3.3Å; T181-G185 PolarHBondContact O-N 2.96Å
182	V	42.6	Very low	43.5	Very low	82 Å²	82	91.5 Å²	91.5	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-71.9	-43.9	179.5	169.4	0	0	0	0	111.6	L178 N179 G185 L186	L178-V182 WeakPolarHBondContact O-CB 3.29Å; L178-V182 VanDerWaalsContact O-CG2 3.3Å; L178-V182 WeakPolarHBondContact O-CG2 3.47Å; L178-V182 PolarHBondContact O-N 3.3Å; N179-V182 PolarHBondContact O-N 3.27Å; N179-V182 VanDerWaalsContact O-N 3.15Å; V182-G185 PolarHBondContact O-N 3.43Å; V182-L186 HydrophobicContact CG1-CD1 3.81Å; V182-L186 WeakPolarHBondContact O-CB 3.33Å; V182-L186 VanDerWaalsContact O-CG 3.27Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 3.2Å
183	T	42.5	Very low	42.6	Very low	56 Å²	56	93 Å²	93	34%	0.344	52%	0.523	S	S	.	.	H	α-helix	trans	-67.9	-45.9	178.5	53.8	0	0	0	0	111.6	N179 G185 L186 L187	N179-T183 PolarHBondContact O-N 3.48Å; N179-T183 PolarHBondContact O-OG1 3.2Å; T183-G185 VanDerWaalsContact C-N 3.34Å; T183-G185 PolarHBondContact O-N 3.13Å; T183-L186 PolarHBondContact O-N 2.95Å; T183-L187 VanDerWaalsContact O-CB 3.31Å; T183-L187 WeakPolarHBondContact O-CB 3.46Å; T183-L187 VanDerWaalsContact O-CG 3.26Å; T183-L187 WeakPolarHBondContact O-CG 3.35Å; T183-L187 PolarHBondContact O-N 3.21Å
184	N	40.4	Very low	41.1	Very low	87 Å²	87	96.4 Å²	96.4	47%	0.465	54%	0.537	S	S	.	.	H	α-helix	trans	-67.8	-34.5	176	-69.8	-56.4	0	0	0	112	D180 L186 L187 N188	D180-N184 VanDerWaalsContact O-CB 3.26Å; D180-N184 WeakPolarHBondContact O-CB 3.36Å; D180-N184 PolarHBondContact O-N 3.25Å; D180-N184 PolarHBondContact O-ND2 2.67Å; N184-L186 VanDerWaalsContact C-N 3.32Å; N184-L186 PolarHBondContact O-N 3.2Å; N184-L187 PolarHBondContact O-N 3.45Å; N184-N188 WeakPolarHBondContact O-CB 3.44Å; N184-N188 PolarHBondContact O-N 3.37Å
185	G	37.8	Very low	40	Very low	42 Å²	42	99.6 Å²	99.6	43%	0.433	57%	0.565	S	S	.	*	H	α-helix	trans	-67.4	-27.5	173.9	0	0	0	0	0	114.5	T181 V182 T183 N189	T181-G185 WeakPolarHBondContact O-CA 3.3Å; T181-G185 PolarHBondContact O-N 2.96Å; V182-G185 PolarHBondContact O-N 3.43Å; T183-G185 VanDerWaalsContact C-N 3.34Å; T183-G185 PolarHBondContact O-N 3.13Å; G185-N189 PolarHBondContact O-ND2 2.97Å
186	L	36	Very low	39.2	Very low	133 Å²	133	100.5 Å²	100.5	70%	0.696	57%	0.57	S	S	*	*	H	α-helix	trans	-86.7	-29.1	173.9	-73	168.4	0	0	0	113	V182 T183 N184	V182-L186 HydrophobicContact CG1-CD1 3.81Å; V182-L186 WeakPolarHBondContact O-CB 3.33Å; V182-L186 VanDerWaalsContact O-CG 3.27Å; V182-L186 WeakPolarHBondContact O-CG 3.44Å; V182-L186 PolarHBondContact O-N 3.2Å; T183-L186 PolarHBondContact O-N 2.95Å; N184-L186 VanDerWaalsContact C-N 3.32Å; N184-L186 PolarHBondContact O-N 3.2Å
187	L	37.9	Very low	38.2	Very low	115 Å²	115	98.6 Å²	98.6	60%	0.602	57%	0.569	S	S	*	*	H	α-helix	trans	-87.5	-34	-177.7	-71.2	167.3	0	0	0	113.9	T183 N184	T183-L187 VanDerWaalsContact O-CB 3.31Å; T183-L187 WeakPolarHBondContact O-CB 3.46Å; T183-L187 VanDerWaalsContact O-CG 3.26Å; T183-L187 WeakPolarHBondContact O-CG 3.35Å; T183-L187 PolarHBondContact O-N 3.21Å; N184-L187 PolarHBondContact O-N 3.45Å
188	N	33.6	Very low	37.6	Very low	107 Å²	107	98.9 Å²	98.9	57%	0.572	58%	0.579	S	S	*	*			trans	-107.4	37.8	-169.1	-71.6	-8.1	0	0	0	115.2	N184 N190	N184-N188 WeakPolarHBondContact O-CB 3.44Å; N184-N188 PolarHBondContact O-N 3.37Å; N188-N190 PolarHBondContact O-N 3.24Å
189	N	33	Very low	37.2	Very low	131 Å²	131	100.9 Å²	100.9	70%	0.701	59%	0.594	S	S	*	*			trans	-77.4	55.3	166.7	-78.7	-51.1	0	0	0	112.3	G185	G185-N189 PolarHBondContact O-ND2 2.97Å
190	N	29	Very low	37.3	Very low	165 Å²	165	100.9 Å²	100.9	88%	0.882	60%	0.596	S	S	*	*	S	Bend	trans	-157.5	42.5	173.9	-109.2	-34.5	0	0	0	114.1	N188	N188-N190 PolarHBondContact O-N 3.24Å
191	S	31.1	Very low	36.8	Very low	104 Å²	104	100.2 Å²	100.2	73%	0.727	60%	0.599	S	S	*	*			trans	-153.2	130.6	159.1	32.4	0	0	0	0	111.7
192	S	30.9	Very low	36.9	Very low	102 Å²	102	103.2 Å²	103.2	71%	0.713	61%	0.612	S	S	*	*	S	Bend	trans	-73.4	154.7	166.4	47.6	0	0	0	0	110.2
193	N	29.6	Very low	37	Very low	154 Å²	154	101.7 Å²	101.7	82%	0.824	61%	0.608	S	S	*	*			trans	82.7	61.4	179.9	-43.7	-57.8	0	0	0	117.1
194	L	31.2	Very low	37.2	Very low	153 Å²	153	102.1 Å²	102.1	80%	0.801	61%	0.611	S	S	*	*			trans	-135.4	108.5	147.9	-148.5	76.3	0	0	0	111.4	L196	L194-L196 HydrophobicContact CD2-CD1 4.25Å; L194-L196 PolarHBondContact O-N 3.22Å
195	S	32.6	Very low	37.4	Very low	123 Å²	123	100.8 Å²	100.8	86%	0.86	61%	0.612	S	S	*	*			trans	-84.5	92.6	179.1	56.8	0	0	0	0	110.6
196	L	35	Very low	38	Very low	91 Å²	91	101.2 Å²	101.2	48%	0.476	61%	0.611	S	S	.	*			trans	-65.3	148.6	171.6	-84.8	76.9	0	0	0	110.7	L194 T200	L194-L196 HydrophobicContact CD2-CD1 4.25Å; L194-L196 PolarHBondContact O-N 3.22Å; L196-T200 HydrophobicContact CD2-CG2 4Å
197	P	35.4	Very low	38.5	Very low	69 Å²	69	98.8 Å²	98.8	45%	0.448	60%	0.599	S	S	.	*			trans	-56.6	145.5	172.5	-24	33.9	0	0	0	112	T199 T200 A201	P197-T199 PolarHBondContact O-N 3.36Å; P197-T200 PolarHBondContact O-N 2.81Å; P197-A201 PolarHBondContact O-N 3.44Å; P197-A201 VanDerWaalsContact O-N 3.09Å
198	P	38.7	Very low	38.9	Very low	112 Å²	112	98.3 Å²	98.3	73%	0.727	59%	0.593	S	S	*	*	H	α-helix	trans	-62.3	-26.9	-178.1	24.4	-34.1	0	0	0	112.9	L202	P198-L202 WeakPolarHBondContact O-CB 3.27Å; P198-L202 PolarHBondContact O-N 3.29Å
199	T	42.3	Very low	39.5	Very low	109 Å²	109	96.5 Å²	96.5	67%	0.669	59%	0.589	S	S	*	*	H	α-helix	trans	-64.6	-41.5	172	44.2	0	0	0	0	112.5	P197 A203	P197-T199 PolarHBondContact O-N 3.36Å; T199-A203 PolarHBondContact O-N 2.85Å; T199-A203 VanDerWaalsContact O-N 3.09Å
200	T	46	Very low	39.9	Very low	50 Å²	50	95.7 Å²	95.7	31%	0.307	58%	0.582	S	S	.	*	H	α-helix	trans	-70.2	-44	178.2	-37.5	0	0	0	0	110.7	L196 P197 L202 A203 T204	L196-T200 HydrophobicContact CD2-CG2 4Å; P197-T200 PolarHBondContact O-N 2.81Å; T200-L202 VanDerWaalsContact C-N 3.3Å; T200-L202 PolarHBondContact O-N 2.87Å; T200-A203 PolarHBondContact O-N 3.5Å; T200-A203 VanDerWaalsContact O-N 3.13Å; T200-T204 PolarHBondContact O-N 3.43Å; T200-T204 PolarHBondContact O-OG1 2.91Å; T200-T204 VanDerWaalsContact O-OG1 3.08Å
201	A	41.2	Very low	40.4	Very low	51 Å²	51	94.3 Å²	94.3	42%	0.421	57%	0.569	S	S	.	*	H	α-helix	trans	-58.8	-40.6	175.5	0	0	0	0	0	112.3	P197 A205	P197-A201 PolarHBondContact O-N 3.44Å; P197-A201 VanDerWaalsContact O-N 3.09Å; A201-A205 VanDerWaalsContact O-CB 3.28Å; A201-A205 WeakPolarHBondContact O-CB 3.26Å; A201-A205 PolarHBondContact O-N 3.21Å
202	L	48.2	Very low	40.8	Very low	131 Å²	131	93 Å²	93	69%	0.686	55%	0.553	S	S	*	*	H	α-helix	trans	-66.3	-37.9	175.7	-158.2	78.4	0	0	0	112.2	P198 T200 A206	P198-L202 WeakPolarHBondContact O-CB 3.27Å; P198-L202 PolarHBondContact O-N 3.29Å; T200-L202 VanDerWaalsContact C-N 3.3Å; T200-L202 PolarHBondContact O-N 2.87Å; L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.33Å; L202-A206 PolarHBondContact O-N 3.36Å
203	A	44.3	Very low	41.3	Very low	50 Å²	50	90.7 Å²	90.7	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-67.7	-43.3	176.2	0	0	0	0	0	112.3	T199 T200 A206 L207	T199-A203 PolarHBondContact O-N 2.85Å; T199-A203 VanDerWaalsContact O-N 3.09Å; T200-A203 PolarHBondContact O-N 3.5Å; T200-A203 VanDerWaalsContact O-N 3.13Å; A203-A206 PolarHBondContact O-N 2.86Å; A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 PolarHBondContact O-N 2.92Å
204	T	46.2	Very low	41.5	Very low	65 Å²	65	87.6 Å²	87.6	40%	0.399	53%	0.533	S	S	.	.	H	α-helix	trans	-64.9	-40.8	174.7	-46.3	0	0	0	0	111.1	T200 L207 Q208	T200-T204 PolarHBondContact O-N 3.43Å; T200-T204 PolarHBondContact O-OG1 2.91Å; T200-T204 VanDerWaalsContact O-OG1 3.08Å; T204-L207 PolarHBondContact O-N 3.03Å; T204-Q208 WeakPolarHBondContact O-CB 3.26Å; T204-Q208 PolarHBondContact O-N 3.29Å
205	A	46.1	Very low	41.6	Very low	59 Å²	59	86.7 Å²	86.7	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-38.5	174.6	0	0	0	0	0	112.5	A201 S209	A201-A205 VanDerWaalsContact O-CB 3.28Å; A201-A205 WeakPolarHBondContact O-CB 3.26Å; A201-A205 PolarHBondContact O-N 3.21Å; A205-S209 WeakPolarHBondContact O-CB 3.37Å; A205-S209 PolarHBondContact O-N 2.87Å
206	A	48.7	Very low	41.7	Very low	51 Å²	51	88.3 Å²	88.3	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-42.7	174.7	0	0	0	0	0	112.1	L202 A203 S209 M210	L202-A206 VanDerWaalsContact O-CB 3.3Å; L202-A206 WeakPolarHBondContact O-CB 3.33Å; L202-A206 PolarHBondContact O-N 3.36Å; A203-A206 PolarHBondContact O-N 2.86Å; A206-S209 PolarHBondContact O-N 3.35Å; A206-M210 WeakPolarHBondContact O-CB 3.26Å; A206-M210 WeakPolarHBondContact O-CG 3.31Å; A206-M210 PolarHBondContact O-N 3.22Å
207	L	47.6	Very low	41.4	Very low	83 Å²	83	89.8 Å²	89.8	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-66.3	-42.6	175.3	-77.4	169	0	0	0	112.1	L178 A203 T204 S209 M210 F211	L178-L207 HydrophobicContact CD2-CD1 3.9Å; A203-L207 WeakPolarHBondContact O-CB 3.46Å; A203-L207 PolarHBondContact O-N 2.92Å; T204-L207 PolarHBondContact O-N 3.03Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.34Å; L207-M210 PolarHBondContact O-N 3.48Å; L207-F211 WeakPolarHBondContact O-CB 3.43Å; L207-F211 PolarHBondContact O-N 2.92Å
208	Q	47.2	Very low	41	Very low	104 Å²	104	93.2 Å²	93.2	49%	0.486	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-39.9	173.6	-168.9	68.4	58.9	0	0	111.3	T204 F211 N212	T204-Q208 WeakPolarHBondContact O-CB 3.26Å; T204-Q208 PolarHBondContact O-N 3.29Å; Q208-F211 PolarHBondContact O-N 2.9Å; Q208-N212 PolarHBondContact NE2-OD1 2.81Å; Q208-N212 VanDerWaalsContact O-CB 3.29Å; Q208-N212 WeakPolarHBondContact O-CB 3.45Å; Q208-N212 PolarHBondContact O-N 3.28Å; Q208-N212 PolarHBondContact O-OD1 3.41Å
209	S	45	Very low	40.3	Very low	69 Å²	69	97.2 Å²	97.2	48%	0.483	56%	0.556	S	S	.	*	H	α-helix	trans	-63.6	-40.4	174.4	-177.6	0	0	0	0	111.8	A205 A206 L207 S213	A205-S209 WeakPolarHBondContact O-CB 3.37Å; A205-S209 PolarHBondContact O-N 2.87Å; A206-S209 PolarHBondContact O-N 3.35Å; L207-S209 VanDerWaalsContact C-N 3.33Å; L207-S209 PolarHBondContact O-N 3.34Å; S209-S213 WeakPolarHBondContact O-CB 3.37Å; S209-S213 PolarHBondContact O-N 2.75Å; S209-S213 PolarHBondContact O-OG 2.95Å
210	M	41.2	Very low	39.7	Very low	114 Å²	114	97.3 Å²	97.3	56%	0.562	56%	0.561	S	S	*	*	H	α-helix	trans	-64.6	-44.9	172.6	-76.6	172.6	55	0	0	112	A206 L207 S213 A214	A206-M210 WeakPolarHBondContact O-CB 3.26Å; A206-M210 WeakPolarHBondContact O-CG 3.31Å; A206-M210 PolarHBondContact O-N 3.22Å; L207-M210 PolarHBondContact O-N 3.48Å; M210-S213 CarbonylContact O-C 3.58Å; M210-S213 PolarHBondContact O-N 3.45Å; M210-A214 WeakPolarHBondContact O-CB 3.2Å; M210-A214 PolarHBondContact O-N 3.15Å
211	F	39.3	Very low	38.8	Very low	137 Å²	137	100.3 Å²	100.3	60%	0.601	58%	0.584	S	S	*	*	H	α-helix	trans	-65.4	-45.1	-179.4	-149.3	-86.8	0	0	0	111.3	L207 Q208 A214 M215	L207-F211 WeakPolarHBondContact O-CB 3.43Å; L207-F211 PolarHBondContact O-N 2.92Å; Q208-F211 PolarHBondContact O-N 2.9Å; F211-A214 PolarHBondContact O-N 3.43Å; F211-M215 HydrophobicContact CE1-CG 4.49Å; F211-M215 PolarHBondContact O-N 2.96Å
212	N	40.6	Very low	38.2	Very low	75 Å²	75	104.3 Å²	104.3	40%	0.401	60%	0.603	S	S	.	*	H	α-helix	trans	-64.2	-40.4	173.8	-66.7	8.7	0	0	0	111.2	Q208 A214 M215 F216	Q208-N212 PolarHBondContact NE2-OD1 2.81Å; Q208-N212 VanDerWaalsContact O-CB 3.29Å; Q208-N212 WeakPolarHBondContact O-CB 3.45Å; Q208-N212 PolarHBondContact O-N 3.28Å; Q208-N212 PolarHBondContact O-OD1 3.41Å; N212-A214 VanDerWaalsContact C-N 3.29Å; N212-A214 PolarHBondContact O-N 3.47Å; N212-M215 PolarHBondContact O-N 3.38Å; N212-F216 WeakPolarHBondContact O-CB 3.34Å; N212-F216 PolarHBondContact O-N 3.29Å
213	S	39.8	Very low	37	Very low	54 Å²	54	103.9 Å²	103.9	38%	0.378	61%	0.608	S	S	.	*	H	α-helix	trans	-68.7	-24.7	176.8	-64.1	0	0	0	0	113.5	S209 M210 N217	S209-S213 WeakPolarHBondContact O-CB 3.37Å; S209-S213 PolarHBondContact O-N 2.75Å; S209-S213 PolarHBondContact O-OG 2.95Å; M210-S213 CarbonylContact O-C 3.58Å; M210-S213 PolarHBondContact O-N 3.45Å; S213-N217 VanDerWaalsContact CA-ND2 3.34Å; S213-N217 WeakPolarHBondContact CA-ND2 3.35Å; S213-N217 VanDerWaalsContact CB-ND2 3.34Å; S213-N217 WeakPolarHBondContact CB-ND2 3.24Å; S213-N217 WeakPolarHBondContact O-CB 3.27Å; S213-N217 PolarHBondContact O-ND2 3.43Å
214	A	35.2	Very low	36.1	Very low	89 Å²	89	108.1 Å²	108.1	74%	0.736	63%	0.628	S	S	*	*	H	α-helix	trans	-82.5	-30.2	173.9	0	0	0	0	0	112.3	M210 F211 N212	M210-A214 WeakPolarHBondContact O-CB 3.2Å; M210-A214 PolarHBondContact O-N 3.15Å; F211-A214 PolarHBondContact O-N 3.43Å; N212-A214 VanDerWaalsContact C-N 3.29Å; N212-A214 PolarHBondContact O-N 3.47Å
215	M	32.9	Very low	35	Very low	134 Å²	134	114 Å²	114	66%	0.66	65%	0.648	S	S	*	*	H	α-helix	trans	-87.3	-30.5	179.3	-84.3	-72	-169.5	0	0	114.9	F211 N212	F211-M215 HydrophobicContact CE1-CG 4.49Å; F211-M215 PolarHBondContact O-N 2.96Å; N212-M215 PolarHBondContact O-N 3.38Å
216	F	34	Very low	34	Very low	158 Å²	158	121 Å²	121	69%	0.693	67%	0.668	S	S	*	*	H	α-helix	trans	-121.9	3	-165.5	-68.5	-79.6	0	0	0	116.5	N212 T218	N212-F216 WeakPolarHBondContact O-CB 3.34Å; N212-F216 PolarHBondContact O-N 3.29Å; F216-T218 VanDerWaalsContact C-N 3.33Å; F216-T218 PolarHBondContact O-N 3.07Å
217	N	28.6	Very low	32.8	Very low	122 Å²	122	125.4 Å²	125.4	65%	0.652	68%	0.684	S	S	*	*			trans	-83.2	62.1	-179.1	-85.7	-40.8	0	0	0	114.7	S213	S213-N217 VanDerWaalsContact CA-ND2 3.34Å; S213-N217 WeakPolarHBondContact CA-ND2 3.35Å; S213-N217 VanDerWaalsContact CB-ND2 3.34Å; S213-N217 WeakPolarHBondContact CB-ND2 3.24Å; S213-N217 WeakPolarHBondContact O-CB 3.27Å; S213-N217 PolarHBondContact O-ND2 3.43Å
218	T	27	Very low	31.8	Very low	141 Å²	141	127.4 Å²	127.4	87%	0.865	71%	0.705	S	S	*	*			trans	-143.2	37.3	160.3	51.7	0	0	0	0	114.1	F216	F216-T218 VanDerWaalsContact C-N 3.33Å; F216-T218 PolarHBondContact O-N 3.07Å
219	E	25.2	Very low	30.6	Very low	196 Å²	196	129.9 Å²	129.9	92%	0.916	72%	0.719	S	S	*	*			trans	-104.5	95	168.6	-73.7	-154.3	147	0	0	113.2
220	S	30.2	Very low	29.6	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	73%	0.729	S	S	*	*			trans	-152.2	72.6	155.4	72.4	0	0	0	0	112.4
221	S	27	Very low	28.9	Very low	113 Å²	113	135.2 Å²	135.2	79%	0.79	73%	0.734	S	S	*	*			trans	25.1	124.8	143.6	52.3	0	0	0	0	121.5
222	V	27	Very low	28.3	Very low	136 Å²	136	139 Å²	139	82%	0.824	75%	0.751	S	S	*	*			trans	140.8	117.8	131.8	172.1	0	0	0	0	111.2
223	P	24.5	Very low	27.5	Very low	122 Å²	122	141.7 Å²	141.7	79%	0.792	77%	0.765	S	S	*	*			trans	-103.2	150.7	-171.1	38.1	-34.6	0	0	0	115.2
224	V	25.6	Very low	27	Very low	139 Å²	139	147.4 Å²	147.4	84%	0.842	79%	0.79	S	S	*	*			trans	-138.9	137	159.5	-177.8	0	0	0	0	109
225	K	22	Very low	26.7	Very low	188 Å²	188	146 Å²	146	82%	0.817	78%	0.783	S	S	*	*			trans	-78.6	147.7	176.7	-62.4	176.3	178.3	178	0	111.8
226	F	25	Very low	26.6	Very low	207 Å²	207	146.6 Å²	146.6	91%	0.908	79%	0.79	S	S	*	*			trans	-145.6	146.6	143.9	-109	-81.3	0	0	0	110.5
227	D	23	Very low	26.3	Very low	142 Å²	142	143.9 Å²	143.9	76%	0.759	78%	0.782	S	S	*	*			trans	-86.4	178.5	174.6	-66.7	-77.4	0	0	0	111.7
228	S	27.2	Very low	26.4	Very low	125 Å²	125	143.7 Å²	143.7	87%	0.874	79%	0.785	S	S	*	*			trans	81.6	161.4	165.6	74	0	0	0	0	118.7
229	M	22	Very low	26.6	Very low	157 Å²	157	143.2 Å²	143.2	77%	0.773	77%	0.773	S	S	*	*			trans	-85	171.2	-156.8	-86.7	151.3	49.4	0	0	115.5
230	E	24.8	Very low	27.2	Very low	149 Å²	149	142.8 Å²	142.8	70%	0.696	77%	0.768	S	S	*	*			trans	83.7	140.8	147.1	-85.2	158.3	-146.7	0	0	120.9
231	H	26.4	Very low	27.5	Very low	145 Å²	145	143.8 Å²	143.8	67%	0.671	77%	0.765	S	S	*	*			trans	45.2	116.1	164	-66.9	-68.4	0	0	0	120.1
232	F	26.5	Very low	28	Very low	217 Å²	217	142.4 Å²	142.4	95%	0.952	75%	0.749	S	S	*	*				-146.7	151.7	102.3	-115.5	-79.3	0	0	0	111.8
233	N	24.5	Very low	28.5	Very low	132 Å²	132	139.3 Å²	139.3	71%	0.706	73%	0.727	S	S	*	*			trans	-103.8	155.7	-168.5	-102.6	-29.7	0	0	0	113.6
234	I	29.4	Very low	29.3	Very low	174 Å²	174	141.3 Å²	141.3	89%	0.892	72%	0.723	S	S	*	*			trans	161.2	119.5	149.6	-82.4	147.8	0	0	0	103.4
235	G	27.1	Very low	30.1	Very low	58 Å²	58	141.3 Å²	141.3	60%	0.598	72%	0.718	S	S	*	*			cis	131.2	119.6	16.6	0	0	0	0	0	106.8
236	N	31	Very low	31.2	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	72%	0.716	S	S	*	*			cis	-140.1	147	14.7	-63.5	-38.6	0	0	0	113
237	N	28.4	Very low	31.8	Very low	100 Å²	100	130.8 Å²	130.8	54%	0.535	68%	0.683	S	S	.	*			trans	46.1	105.6	133.3	-59.2	4.9	0	0	0	121.8	W873	N237-W873 HydrophobicContact CB-CE3 3.64Å; N237-W873 HydrophobicContact CB-CH2 4.28Å; N237-W873 HydrophobicContact CB-CZ3 3.44Å; N237-W873 VanDerWaalsContact CB-CZ3 3.44Å; N237-W873 VanDerWaalsContact CG-CZ3 3.46Å; N237-W873 VanDerWaalsContact ND2-CH2 3.27Å; N237-W873 WeakPolarHBondContact ND2-CH2 3.47Å; N237-W873 WeakPolarHBondContact ND2-CZ3 3.33Å
238	V	30.3	Very low	32.9	Very low	119 Å²	119	131.6 Å²	131.6	72%	0.721	69%	0.687	S	S	*	*	S	Bend		-150.8	148.7	110.8	168.3	0	0	0	0	107.6	K240	V238-K240 PolarHBondContact O-N 3.49Å
239	H	31.7	Very low	33.9	Very low	131 Å²	131	127.9 Å²	127.9	61%	0.606	66%	0.661	S	S	*	*	S	Bend	trans	5.2	100.7	175.6	-65.3	-66	0	0	0	119.2	D242	H239-D242 IonicContact CE1-OD2 3.59Å; H239-D242 IonicContact CG-OD2 3.16Å; H239-D242 IonicContact ND1-OD2 2.78Å; H239-D242 PolarHBondContact ND1-OD2 3.13Å
240	K	36.9	Very low	34.8	Very low	186 Å²	186	127.5 Å²	127.5	81%	0.809	66%	0.658	S	S	*	*	S	Bend	trans	-134.8	0.5	164.1	-122.9	174.8	-172.4	171.5	0	115.5	V238	V238-K240 PolarHBondContact O-N 3.49Å
241	N	37.3	Very low	35.6	Very low	131 Å²	131	126.4 Å²	126.4	70%	0.701	66%	0.656	S	S	*	*	S	Bend	trans	-103.7	-32.6	-176.6	-72.7	-11.8	0	0	0	113.1	L243 K244	N241-L243 VanDerWaalsContact C-N 3.32Å; N241-L243 PolarHBondContact O-N 3.17Å; N241-K244 WeakPolarHBondContact O-CB 3.47Å; N241-K244 PolarHBondContact O-N 2.79Å
242	D	37.8	Very low	36.6	Very low	85 Å²	85	123.2 Å²	123.2	46%	0.455	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-67.2	-33.3	-172.4	-46.9	-77.3	0	0	0	112.6	H239 K244 N245	H239-D242 IonicContact CE1-OD2 3.59Å; H239-D242 IonicContact CG-OD2 3.16Å; H239-D242 IonicContact ND1-OD2 2.78Å; H239-D242 PolarHBondContact ND1-OD2 3.13Å; D242-K244 PolarHBondContact O-N 2.86Å; D242-K244 VanDerWaalsContact O-N 3.13Å; D242-N245 PolarHBondContact O-N 3.4Å; D242-N245 VanDerWaalsContact O-N 3.17Å
243	L	38	Very low	37.3	Very low	70 Å²	70	118.2 Å²	118.2	37%	0.366	62%	0.62	S	S	.	*	G	3₁₀ helix	trans	-59.6	-18.8	172.2	-82.3	163.9	0	0	0	113.9	N241	N241-L243 VanDerWaalsContact C-N 3.32Å; N241-L243 PolarHBondContact O-N 3.17Å
244	K	40.7	Very low	38.3	Very low	165 Å²	165	117.1 Å²	117.1	72%	0.717	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-88.7	-16.6	179.9	-152.6	176.6	-177.1	-176.1	0	113.5	N241 D242	N241-K244 WeakPolarHBondContact O-CB 3.47Å; N241-K244 PolarHBondContact O-N 2.79Å; D242-K244 PolarHBondContact O-N 2.86Å; D242-K244 VanDerWaalsContact O-N 3.13Å
245	N	42.4	Very low	39.1	Very low	138 Å²	138	113.9 Å²	113.9	74%	0.738	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-13.2	-178.7	-67.7	-10.7	0	0	0	113.4	D242	D242-N245 PolarHBondContact O-N 3.4Å; D242-N245 VanDerWaalsContact O-N 3.17Å
246	N	44.5	Very low	40	Very low	143 Å²	143	113.8 Å²	113.8	77%	0.765	57%	0.572	S	S	*	*	S	Bend	trans	-102.8	5.5	-177.2	-88.1	-25.4	0	0	0	114.8
247	C	37.9	Very low	40.5	Very low	32 Å²	32	112 Å²	112	22%	0.216	56%	0.555	C	S	.	*			trans	-111.8	109.4	179.5	-68.9	0	0	0	0	111.2	S249 D252	C247-S249 PolarHBondContact O-N 3.07Å; C247-D252 HydrophobicContact CB-CB 4.03Å
248	N	45.2	Very low	41.2	Very low	158 Å²	158	108.3 Å²	108.3	85%	0.845	54%	0.535	S	S	*	.	S	Bend	trans	-74.9	-6.9	-178.6	-72.2	-26	0	0	0	114.1
249	S	48	Very low	41.9	Very low	47 Å²	47	106.5 Å²	106.5	33%	0.329	52%	0.515	S	S	.	.	S	Bend	trans	-146.7	161.9	174.1	73.4	0	0	0	0	112.1	C247 D251 D252 Y253	C247-S249 PolarHBondContact O-N 3.07Å; S249-D251 PolarHBondContact O-N 3.39Å; S249-D251 PolarHBondContact OG-N 3.33Å; S249-D252 WeakPolarHBondContact CB-OD2 3.47Å; S249-D252 PolarHBondContact N-OD2 3.08Å; S249-D252 PolarHBondContact O-N 3.49Å; S249-D252 PolarHBondContact OG-N 3.1Å; S249-D252 PolarHBondContact OG-OD2 2.89Å; S249-Y253 PolarHBondContact O-N 2.79Å
250	Q	42.1	Very low	42.2	Very low	150 Å²	150	104.3 Å²	104.3	70%	0.701	51%	0.505	S	S	*	.	H	α-helix	trans	-68.2	-26.1	172.7	-172.3	164.8	-29.1	0	0	111.9	Y253 Y254	Q250-Y253 PolarHBondContact O-N 2.96Å; Q250-Y254 HydrophobicContact CG-CD2 4.24Å; Q250-Y254 HydrophobicContact CG-CE2 4.45Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.48Å; Q250-Y254 PolarHBondContact O-N 2.86Å
251	D	42.3	Very low	42.3	Very low	125 Å²	125	102 Å²	102	67%	0.668	49%	0.491	S	S	*	.	H	α-helix	trans	-67.3	-40.9	171.4	-70.4	-42.7	0	0	0	111.5	S249 Y253 Y254 Q255	S249-D251 PolarHBondContact O-N 3.39Å; S249-D251 PolarHBondContact OG-N 3.33Å; D251-Y253 VanDerWaalsContact C-N 3.34Å; D251-Y253 PolarHBondContact O-N 2.87Å; D251-Y254 PolarHBondContact O-N 3.47Å; D251-Q255 WeakPolarHBondContact O-CB 3.36Å; D251-Q255 VanDerWaalsContact O-CG 3.27Å; D251-Q255 WeakPolarHBondContact O-CG 3.48Å; D251-Q255 PolarHBondContact O-N 3.3Å
252	D	45.8	Very low	42.4	Very low	78 Å²	78	97 Å²	97	42%	0.417	46%	0.463	S	S	.	.	H	α-helix	trans	-61.3	-42.1	174.6	-66	-57.8	0	0	0	111.5	C247 S249 Q255 H256	C247-D252 HydrophobicContact CB-CB 4.03Å; S249-D252 WeakPolarHBondContact CB-OD2 3.47Å; S249-D252 PolarHBondContact N-OD2 3.08Å; S249-D252 PolarHBondContact O-N 3.49Å; S249-D252 PolarHBondContact OG-N 3.1Å; S249-D252 PolarHBondContact OG-OD2 2.89Å; D252-Q255 PolarHBondContact O-N 2.84Å; D252-H256 PolarHBondContact O-N 3.5Å
253	Y	42.8	Very low	42.4	Very low	112 Å²	112	94.7 Å²	94.7	44%	0.439	45%	0.45	S	S	.	.	H	α-helix	trans	-62.9	-43.8	175	178.4	-93.4	0	0	0	111.8	S249 Q250 D251 Q255 H256 Y257	S249-Y253 PolarHBondContact O-N 2.79Å; Q250-Y253 PolarHBondContact O-N 2.96Å; D251-Y253 VanDerWaalsContact C-N 3.34Å; D251-Y253 PolarHBondContact O-N 2.87Å; Y253-Q255 VanDerWaalsContact C-N 3.35Å; Y253-Q255 PolarHBondContact O-N 3.42Å; Y253-H256 PolarHBondContact O-N 3Å; Y253-Y257 WeakPolarHBondContact O-CB 3.16Å; Y253-Y257 PolarHBondContact O-N 2.91Å
254	Y	44.9	Very low	42.2	Very low	109 Å²	109	94.9 Å²	94.9	43%	0.427	46%	0.457	S	S	.	.	H	α-helix	trans	-64	-38.3	174.3	-98.5	-87.4	0	0	0	112.3	Q250 D251 H256 L258	Q250-Y254 HydrophobicContact CG-CD2 4.24Å; Q250-Y254 HydrophobicContact CG-CE2 4.45Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.48Å; Q250-Y254 PolarHBondContact O-N 2.86Å; D251-Y254 PolarHBondContact O-N 3.47Å; Y254-H256 VanDerWaalsContact C-N 3.34Å; Y254-L258 VanDerWaalsContact O-CB 3.26Å; Y254-L258 WeakPolarHBondContact O-CB 3.44Å; Y254-L258 WeakPolarHBondContact O-CG 3.46Å; Y254-L258 PolarHBondContact O-N 3.13Å
255	Q	45.9	Very low	41.9	Very low	107 Å²	107	92.5 Å²	92.5	50%	0.5	44%	0.444	S	S	.	.	H	α-helix	trans	-65.7	-34	173.3	-70.7	-68.4	-27.8	0	0	112.1	D251 D252 Y253 R259	D251-Q255 WeakPolarHBondContact O-CB 3.36Å; D251-Q255 VanDerWaalsContact O-CG 3.27Å; D251-Q255 WeakPolarHBondContact O-CG 3.48Å; D251-Q255 PolarHBondContact O-N 3.3Å; D252-Q255 PolarHBondContact O-N 2.84Å; Y253-Q255 VanDerWaalsContact C-N 3.35Å; Y253-Q255 PolarHBondContact O-N 3.42Å; Q255-R259 WeakPolarHBondContact O-CB 3.3Å; Q255-R259 PolarHBondContact O-N 2.84Å
256	H	45.6	Very low	41.7	Very low	55 Å²	55	88.9 Å²	88.9	26%	0.255	42%	0.42	S	S	.	.	H	α-helix	trans	-73.4	-42.8	175.1	-142.6	-78.2	0	0	0	112.6	D252 Y253 Y254 R259 E260	D252-H256 PolarHBondContact O-N 3.5Å; Y253-H256 PolarHBondContact O-N 3Å; Y254-H256 VanDerWaalsContact C-N 3.34Å; H256-R259 PolarHBondContact NE2-NH1 3.22Å; H256-R259 WeakPolarHBondContact O-CB 3.31Å; H256-R259 PolarHBondContact O-N 3.15Å; H256-E260 IonicContact CE1-OE1 2.72Å; H256-E260 PolarHBondContact CE1-OE1 3Å; H256-E260 IonicContact ND1-OE1 3.82Å; H256-E260 PolarHBondContact ND1-OE1 2.9Å; H256-E260 PolarHBondContact O-N 2.83Å
257	Y	41.2	Very low	41.3	Very low	111 Å²	111	85.2 Å²	85.2	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-40.5	175.5	-179.1	-108.5	0	0	0	112.1	Y253 R261	Y253-Y257 WeakPolarHBondContact O-CB 3.16Å; Y253-Y257 PolarHBondContact O-N 2.91Å; Y257-R261 WeakPolarHBondContact O-CB 3.5Å; Y257-R261 PolarHBondContact O-N 2.84Å; Y257-R261 PolarHBondContact OH-NH1 3Å
258	L	43.8	Very low	41.2	Very low	23 Å²	23	87.3 Å²	87.3	12%	0.12	41%	0.413	C	S	.	.	H	α-helix	trans	-64.2	-44.3	170.7	-73.1	170.4	0	0	0	110.9	Y254 R261 W262 N640	Y254-L258 VanDerWaalsContact O-CB 3.26Å; Y254-L258 WeakPolarHBondContact O-CB 3.44Å; Y254-L258 WeakPolarHBondContact O-CG 3.46Å; Y254-L258 PolarHBondContact O-N 3.13Å; L258-R261 PolarHBondContact O-N 3.12Å; L258-W262 WeakPolarHBondContact O-CB 3.25Å; L258-W262 PolarHBondContact O-N 2.81Å; L258-N640 WeakPolarHBondContact CD2-ND2 3.37Å
259	R	44.6	Very low	40.8	Very low	81 Å²	81	86.3 Å²	86.3	31%	0.306	40%	0.402	S	S	.	.	H	α-helix	trans	-53.3	-55.6	176.5	173.1	-172.2	-158.4	173	3.6	111.9	Q255 H256 R261 W262 D263	Q255-R259 WeakPolarHBondContact O-CB 3.3Å; Q255-R259 PolarHBondContact O-N 2.84Å; H256-R259 PolarHBondContact NE2-NH1 3.22Å; H256-R259 WeakPolarHBondContact O-CB 3.31Å; H256-R259 PolarHBondContact O-N 3.15Å; R259-R261 VanDerWaalsContact C-N 3.29Å; R259-R261 PolarHBondContact O-N 2.79Å; R259-W262 WeakPolarHBondContact O-CB 3.37Å; R259-W262 PolarHBondContact O-N 3.46Å; R259-W262 VanDerWaalsContact O-N 3.09Å; R259-D263 WeakPolarHBondContact CG-OD2 3.39Å; R259-D263 WeakPolarHBondContact O-CB 3.33Å; R259-D263 PolarHBondContact O-N 3.08Å
260	E	38.4	Very low	40.4	Very low	84 Å²	84	88.8 Å²	88.8	39%	0.393	41%	0.411	S	S	.	.	H	α-helix	trans	-61.3	-36.5	-179.2	-74.6	169.1	-148	0	0	112.7	H256 S264	H256-E260 IonicContact CE1-OE1 2.72Å; H256-E260 PolarHBondContact CE1-OE1 3Å; H256-E260 IonicContact ND1-OE1 3.82Å; H256-E260 PolarHBondContact ND1-OE1 2.9Å; H256-E260 PolarHBondContact O-N 2.83Å; E260-S264 VanDerWaalsContact O-CB 3.26Å; E260-S264 WeakPolarHBondContact O-CB 3.39Å; E260-S264 PolarHBondContact O-N 3.15Å; E260-S264 PolarHBondContact O-OG 3.36Å
261	R	38.9	Very low	40.1	Very low	139 Å²	139	87.5 Å²	87.5	53%	0.525	40%	0.401	S	S	.	.	H	α-helix	trans	-76.6	-23.2	177.3	-145.8	-180	-169.2	104.5	-10	113	Y257 L258 R259	Y257-R261 WeakPolarHBondContact O-CB 3.5Å; Y257-R261 PolarHBondContact O-N 2.84Å; Y257-R261 PolarHBondContact OH-NH1 3Å; L258-R261 PolarHBondContact O-N 3.12Å; R259-R261 VanDerWaalsContact C-N 3.29Å; R259-R261 PolarHBondContact O-N 2.79Å
262	W	39.7	Very low	40	Very low	26 Å²	26	83.1 Å²	83.1	10%	0.098	38%	0.377	C	S	.	.	H	α-helix	trans	-74.6	-53.8	168.3	-93.9	77.5	0	0	0	111.1	L258 R259 S264 R265 Y266 P579 M639 N640 F644	L258-W262 WeakPolarHBondContact O-CB 3.25Å; L258-W262 PolarHBondContact O-N 2.81Å; R259-W262 WeakPolarHBondContact O-CB 3.37Å; R259-W262 PolarHBondContact O-N 3.46Å; R259-W262 VanDerWaalsContact O-N 3.09Å; W262-S264 VanDerWaalsContact C-N 3.25Å; W262-S264 PolarHBondContact O-N 3.42Å; W262-R265 PolarHBondContact O-N 2.87Å; W262-Y266 HydrophobicContact CE3-CD2 4.32Å; W262-Y266 AromaticContact CE3-CE2 3.67Å; W262-Y266 HydrophobicContact CE3-CE2 3.67Å; W262-Y266 AromaticContact CZ3-CE2 3.65Å; W262-Y266 HydrophobicContact CZ3-CE2 3.65Å; W262-Y266 PolarHBondContact O-N 2.9Å; W262-P579 HydrophobicContact CE3-CG 4.04Å; W262-P579 HydrophobicContact CH2-CG 4.05Å; W262-P579 HydrophobicContact CZ3-CG 3.62Å; W262-M639 HydrophobicContact CH2-CE 4.1Å; W262-M639 HydrophobicContact CZ2-CE 3.49Å; W262-M639 VanDerWaalsContact CZ2-CE 3.49Å; W262-M639 HydrophobicContact CZ2-CG 4.37Å; W262-N640 PolarHBondContact NE1-OD1 2.71Å; W262-F644 AromaticContact CH2-CE1 3.93Å; W262-F644 HydrophobicContact CH2-CE1 3.93Å; W262-F644 AromaticContact CH2-CZ 3.69Å; W262-F644 HydrophobicContact CH2-CZ 3.69Å; W262-F644 HydrophobicContact CZ2-CZ 4.09Å
263	D	38.5	Very low	39.9	Very low	36 Å²	36	84.1 Å²	84.1	19%	0.193	38%	0.382	C	S	.	.	H	α-helix	trans	-56.1	-42.8	178.7	-71.1	-39.4	0	0	0	109.8	R259 R265 Y266 C267 C576	R259-D263 WeakPolarHBondContact CG-OD2 3.39Å; R259-D263 WeakPolarHBondContact O-CB 3.33Å; R259-D263 PolarHBondContact O-N 3.08Å; D263-R265 PolarHBondContact O-N 3.24Å; D263-Y266 PolarHBondContact O-N 2.81Å; D263-C267 WeakPolarHBondContact O-CB 3.41Å; D263-C267 PolarHBondContact O-N 3.15Å; D263-C576 PolarHBondContact OD1-SG 2.88Å
264	S	32.6	Very low	40	Very low	73 Å²	73	82.2 Å²	82.2	51%	0.51	38%	0.38	S	S	.	.	H	α-helix	trans	-52.6	-44	171.3	-65.1	0	0	0	0	114.3	E260 W262 L268	E260-S264 VanDerWaalsContact O-CB 3.26Å; E260-S264 WeakPolarHBondContact O-CB 3.39Å; E260-S264 PolarHBondContact O-N 3.15Å; E260-S264 PolarHBondContact O-OG 3.36Å; W262-S264 VanDerWaalsContact C-N 3.25Å; W262-S264 PolarHBondContact O-N 3.42Å; S264-L268 VanDerWaalsContact O-CB 3.24Å; S264-L268 WeakPolarHBondContact O-CB 3.48Å; S264-L268 PolarHBondContact O-N 3.48Å
265	R	34.8	Very low	39.7	Very low	115 Å²	115	81.2 Å²	81.2	43%	0.434	39%	0.387	S	S	.	.	H	α-helix	trans	-74.8	-24.4	-176.4	-74.1	-166.2	-60	172.8	2.3	113.8	W262 D263 N640	W262-R265 PolarHBondContact O-N 2.87Å; D263-R265 PolarHBondContact O-N 3.24Å; R265-N640 PolarHBondContact NH1-O 3.48Å
266	Y	37.7	Very low	39.9	Very low	63 Å²	63	80.1 Å²	80.1	25%	0.247	40%	0.396	C	S	.	.	H	α-helix	trans	-88.7	-46.3	173.9	-78.8	-106.3	0	0	0	110.8	W262 D263 L268 K269 D549	W262-Y266 HydrophobicContact CE3-CD2 4.32Å; W262-Y266 AromaticContact CE3-CE2 3.67Å; W262-Y266 HydrophobicContact CE3-CE2 3.67Å; W262-Y266 AromaticContact CZ3-CE2 3.65Å; W262-Y266 HydrophobicContact CZ3-CE2 3.65Å; W262-Y266 PolarHBondContact O-N 2.9Å; D263-Y266 PolarHBondContact O-N 2.81Å; Y266-L268 VanDerWaalsContact C-N 3.34Å; Y266-L268 PolarHBondContact O-N 2.84Å; Y266-K269 WeakPolarHBondContact O-CB 3.3Å; Y266-K269 PolarHBondContact O-N 3.37Å; Y266-D549 PolarHBondContact OH-OD2 3.42Å
267	C	37.3	Very low	39.9	Very low	65 Å²	65	81.1 Å²	81.1	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-67.7	-28.6	-177.7	-167.9	0	0	0	0	113.2	D263 K269 D270 Y271	D263-C267 WeakPolarHBondContact O-CB 3.41Å; D263-C267 PolarHBondContact O-N 3.15Å; C267-K269 PolarHBondContact O-N 2.79Å; C267-K269 VanDerWaalsContact O-N 3.12Å; C267-D270 PolarHBondContact O-N 3.22Å; C267-Y271 PolarHBondContact O-N 3.14Å
268	L	34.9	Very low	40	Very low	76 Å²	76	82 Å²	82	40%	0.398	41%	0.406	S	S	.	.	H	α-helix	trans	-56.2	-27.9	168.9	-172.2	70.5	0	0	0	111.9	S264 Y266 L272 M300	S264-L268 VanDerWaalsContact O-CB 3.24Å; S264-L268 WeakPolarHBondContact O-CB 3.48Å; S264-L268 PolarHBondContact O-N 3.48Å; Y266-L268 VanDerWaalsContact C-N 3.34Å; Y266-L268 PolarHBondContact O-N 2.84Å; L268-L272 HydrophobicContact CD1-CG 4.5Å; L268-L272 HydrophobicContact CG-CD1 4.12Å; L268-L272 HydrophobicContact CG-CG 4.37Å; L268-L272 VanDerWaalsContact O-CB 3.31Å; L268-L272 WeakPolarHBondContact O-CB 3.33Å; L268-L272 WeakPolarHBondContact O-CG 3.03Å; L268-L272 PolarHBondContact O-N 3.43Å; L268-M300 HydrophobicContact CD1-SD 4.26Å
269	K	36.3	Very low	39.9	Very low	138 Å²	138	85 Å²	85	60%	0.6	43%	0.427	S	S	*	.	H	α-helix	trans	-73.7	-27.7	176.8	-153.2	172.9	-172.3	177.7	0	112.8	Y266 C267 N273	Y266-K269 WeakPolarHBondContact O-CB 3.3Å; Y266-K269 PolarHBondContact O-N 3.37Å; C267-K269 PolarHBondContact O-N 2.79Å; C267-K269 VanDerWaalsContact O-N 3.12Å; K269-N273 PolarHBondContact O-ND2 2.94Å
270	D	41.1	Very low	39.8	Very low	98 Å²	98	89 Å²	89	52%	0.524	46%	0.455	S	S	.	.	H	α-helix	trans	-82.7	-43.2	175.3	-50.9	-46.5	0	0	0	110	C267 L272 N273 D274	C267-D270 PolarHBondContact O-N 3.22Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 2.99Å; D270-N273 PolarHBondContact O-N 3.44Å; D270-D274 PolarHBondContact O-N 2.87Å
271	Y	34.7	Very low	39.8	Very low	123 Å²	123	93.5 Å²	93.5	48%	0.482	48%	0.475	S	S	.	.	H	α-helix	trans	-62.9	-31	177	-135.6	-83.5	0	0	0	113.6	C267 N273 N277	C267-Y271 PolarHBondContact O-N 3.14Å; Y271-N273 VanDerWaalsContact C-N 3.32Å; Y271-N277 HydrophobicContact CD1-CB 4.41Å; Y271-N277 HydrophobicContact CE1-CB 4.15Å; Y271-N277 WeakPolarHBondContact CE1-O 3.43Å; Y271-N277 HydrophobicContact CE2-CB 4.38Å
272	L	40.5	Very low	39.8	Very low	33 Å²	33	90.2 Å²	90.2	17%	0.173	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.7	172.7	-74.6	173.9	0	0	0	113.2	L268 D270 M300 K304	L268-L272 HydrophobicContact CD1-CG 4.5Å; L268-L272 HydrophobicContact CG-CD1 4.12Å; L268-L272 HydrophobicContact CG-CG 4.37Å; L268-L272 VanDerWaalsContact O-CB 3.31Å; L268-L272 WeakPolarHBondContact O-CB 3.33Å; L268-L272 WeakPolarHBondContact O-CG 3.03Å; L268-L272 PolarHBondContact O-N 3.43Å; D270-L272 VanDerWaalsContact C-N 3.3Å; D270-L272 PolarHBondContact O-N 2.99Å; L272-M300 HydrophobicContact CD2-CB 3.91Å; L272-M300 HydrophobicContact CD2-CG 4.15Å; L272-M300 HydrophobicContact CD2-SD 4.24Å; L272-K304 HydrophobicContact CD2-CB 4.4Å; L272-K304 WeakPolarHBondContact O-CD 3.29Å; L272-K304 WeakPolarHBondContact O-CE 3.27Å; L272-K304 PolarHBondContact O-NZ 3.45Å
273	N	44.5	Very low	39.7	Very low	99 Å²	99	94 Å²	94	53%	0.529	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-34.8	-170.3	-82.5	-15.2	0	0	0	114.5	K269 D270 Y271	K269-N273 PolarHBondContact O-ND2 2.94Å; D270-N273 PolarHBondContact O-N 3.44Å; Y271-N273 VanDerWaalsContact C-N 3.32Å
274	D	44.3	Very low	39.5	Very low	72 Å²	72	98 Å²	98	39%	0.385	52%	0.515	S	S	.	.			trans	-100.2	114.3	179.1	-155.2	-39.2	0	0	0	112.1	D270 A276 N277	D270-D274 PolarHBondContact O-N 2.87Å; D274-A276 PolarHBondContact O-N 3.4Å; D274-A276 WeakPolarHBondContact OD1-CB 3.37Å; D274-A276 PolarHBondContact OD1-N 2.62Å; D274-N277 PolarHBondContact O-N 3.04Å
275	P	38.1	Very low	39.9	Very low	89 Å²	89	99.8 Å²	99.8	58%	0.578	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20	177.3	-21.3	33.7	0	0	0	114.3	N277 W278	P275-N277 PolarHBondContact O-N 2.97Å; P275-W278 WeakPolarHBondContact O-CB 3.37Å; P275-W278 PolarHBondContact O-N 3.11Å
276	A	49.7	Very low	40	Very low	84 Å²	84	98.5 Å²	98.5	69%	0.694	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-69.1	-12	179.9	0	0	0	0	0	113.7	D274 W278	D274-A276 PolarHBondContact O-N 3.4Å; D274-A276 WeakPolarHBondContact OD1-CB 3.37Å; D274-A276 PolarHBondContact OD1-N 2.62Å; A276-W278 VanDerWaalsContact C-N 3.33Å
277	N	46.3	Very low	40.1	Very low	76 Å²	76	101.8 Å²	101.8	41%	0.406	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-90.5	10.2	174.1	-69.9	-45.4	0	0	0	113.3	Y271 D274 P275	Y271-N277 HydrophobicContact CD1-CB 4.41Å; Y271-N277 HydrophobicContact CE1-CB 4.15Å; Y271-N277 WeakPolarHBondContact CE1-O 3.43Å; Y271-N277 HydrophobicContact CE2-CB 4.38Å; D274-N277 PolarHBondContact O-N 3.04Å; P275-N277 PolarHBondContact O-N 2.97Å
278	W	42.8	Very low	40.2	Very low	128 Å²	128	104.4 Å²	104.4	49%	0.485	56%	0.556	S	S	.	*	S	Bend	trans	-88.6	137.2	176.8	-66.8	15.1	0	0	0	109.7	P275 A276 D280	P275-W278 WeakPolarHBondContact O-CB 3.37Å; P275-W278 PolarHBondContact O-N 3.11Å; A276-W278 VanDerWaalsContact C-N 3.33Å; W278-D280 PolarHBondContact O-N 2.83Å
279	P	41.7	Very low	40.6	Very low	87 Å²	87	105.1 Å²	105.1	57%	0.565	56%	0.561	S	S	*	*			trans	-70.5	114.3	-179.3	27.4	-33.5	0	0	0	111.1	H281	P279-H281 PolarHBondContact O-N 2.8Å; P279-H281 VanDerWaalsContact O-N 3.11Å
280	D	42.2	Very low	40.8	Very low	166 Å²	166	100 Å²	100	89%	0.888	54%	0.54	S	S	*	.	S	Bend	trans	-60.6	-20.5	-176.7	-78.4	-46.3	0	0	0	114.5	W278	W278-D280 PolarHBondContact O-N 2.83Å
281	H	39.6	Very low	40.9	Very low	177 Å²	177	98 Å²	98	82%	0.819	53%	0.534	S	S	*	.			trans	-132.3	115	175.1	-99.2	-99	0	0	0	111.7	P279	P279-H281 PolarHBondContact O-N 2.8Å; P279-H281 VanDerWaalsContact O-N 3.11Å
282	I	39.4	Very low	41.6	Very low	70 Å²	70	97.1 Å²	97.1	36%	0.359	54%	0.537	S	S	.	.			trans	-84.5	111.2	161.7	-61	177	0	0	0	107.1	T284 M297	I282-T284 PolarHBondContact O-N 3.04Å; I282-M297 HydrophobicContact CD1-SD 3.93Å
283	D	36.8	Very low	42.2	Very low	106 Å²	106	98.9 Å²	98.9	57%	0.567	55%	0.546	S	S	*	.			trans	-67.6	118.3	-179.5	-172.9	11.4	0	0	0	110.8	T285 N290	D283-T285 PolarHBondContact O-N 3.24Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.44Å; D283-T285 PolarHBondContact OD1-OG1 2.95Å; D283-T285 PolarHBondContact OD2-OG1 3.37Å; D283-T285 VanDerWaalsContact OD2-OG1 3.07Å; D283-N290 PolarHBondContact O-ND2 2.89Å
284	T	35.2	Very low	42.7	Very low	119 Å²	119	98.8 Å²	98.8	73%	0.73	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	2.2	-166	54.2	0	0	0	0	114.1	I282 N286	I282-T284 PolarHBondContact O-N 3.04Å; T284-N286 PolarHBondContact O-N 3.14Å
285	T	40.3	Very low	43.4	Very low	112 Å²	112	100 Å²	100	69%	0.687	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-17.1	-171.9	54.8	0	0	0	0	115.2	D283	D283-T285 PolarHBondContact O-N 3.24Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.44Å; D283-T285 PolarHBondContact OD1-OG1 2.95Å; D283-T285 PolarHBondContact OD2-OG1 3.37Å; D283-T285 VanDerWaalsContact OD2-OG1 3.07Å
286	N	35.9	Very low	44	Very low	88 Å²	88	101.2 Å²	101.2	47%	0.471	55%	0.55	S	S	.	*			trans	-132.7	83.5	-167.9	-147.6	-13.2	0	0	0	113.5	T284 D288 N289 N290	T284-N286 PolarHBondContact O-N 3.14Å; N286-D288 PolarHBondContact O-N 2.7Å; N286-N289 PolarHBondContact O-N 3.23Å; N286-N290 PolarHBondContact O-N 3.27Å; N286-N290 VanDerWaalsContact O-N 3.13Å
287	N	40.6	Very low	44.1	Very low	131 Å²	131	99.7 Å²	99.7	70%	0.701	53%	0.53	S	S	*	.	H	α-helix	trans	-50.6	-47.9	-169	-87.9	-40.7	0	0	0	115.3	N289 N290 S291	N287-N289 PolarHBondContact O-N 3.48Å; N287-N290 PolarHBondContact O-N 3.29Å; N287-S291 PolarHBondContact O-N 2.99Å; N287-S291 PolarHBondContact O-OG 3.37Å
288	D	40	Very low	44.7	Very low	120 Å²	120	99.2 Å²	99.2	64%	0.642	53%	0.527	S	S	*	.	H	α-helix	trans	-68.4	-39.2	-170.9	-61.7	-31.7	0	0	0	111.9	N286 S291 N292	N286-D288 PolarHBondContact O-N 2.7Å; D288-S291 WeakPolarHBondContact CA-OG 3.35Å; D288-S291 PolarHBondContact O-N 3.47Å; D288-S291 PolarHBondContact O-OG 3.03Å; D288-N292 PolarHBondContact O-N 3.35Å; D288-N292 PolarHBondContact O-ND2 3.48Å; D288-N292 VanDerWaalsContact O-ND2 3.1Å
289	N	42.4	Very low	45.3	Very low	91 Å²	91	98.8 Å²	98.8	49%	0.487	53%	0.531	S	S	.	.	H	α-helix	trans	-66.8	-41.1	172.7	-75.6	-11	0	0	0	111.2	N286 N287 S291 N292 I293	N286-N289 PolarHBondContact O-N 3.23Å; N287-N289 PolarHBondContact O-N 3.48Å; N289-S291 VanDerWaalsContact C-N 3.33Å; N289-S291 PolarHBondContact O-N 3.19Å; N289-N292 PolarHBondContact O-N 2.67Å; N289-N292 VanDerWaalsContact O-N 3.07Å; N289-I293 WeakPolarHBondContact O-CG1 3.41Å; N289-I293 PolarHBondContact O-N 3.31Å
290	N	41.1	Very low	45.7	Very low	31 Å²	31	97.1 Å²	97.1	17%	0.166	52%	0.517	C	S	.	.	H	α-helix	trans	-64.7	-34.2	178.8	-71.7	-15	0	0	0	112.7	D283 N286 N287 L294	D283-N290 PolarHBondContact O-ND2 2.89Å; N286-N290 PolarHBondContact O-N 3.27Å; N286-N290 VanDerWaalsContact O-N 3.13Å; N287-N290 PolarHBondContact O-N 3.29Å; N290-L294 WeakPolarHBondContact O-CB 3.24Å; N290-L294 PolarHBondContact O-N 3.19Å
291	S	42.4	Very low	46.1	Very low	57 Å²	57	94.5 Å²	94.5	40%	0.399	50%	0.5	S	S	.	.	H	α-helix	trans	-64.7	-37.1	170.2	39.1	0	0	0	0	113.3	N287 D288 N289 L295	N287-S291 PolarHBondContact O-N 2.99Å; N287-S291 PolarHBondContact O-OG 3.37Å; D288-S291 WeakPolarHBondContact CA-OG 3.35Å; D288-S291 PolarHBondContact O-N 3.47Å; D288-S291 PolarHBondContact O-OG 3.03Å; N289-S291 VanDerWaalsContact C-N 3.33Å; N289-S291 PolarHBondContact O-N 3.19Å; S291-L295 VanDerWaalsContact O-CB 3.24Å; S291-L295 WeakPolarHBondContact O-CB 3.27Å; S291-L295 PolarHBondContact O-N 2.7Å
292	N	50.5	Low	46.8	Very low	103 Å²	103	91.6 Å²	91.6	55%	0.551	49%	0.486	S	S	*	.	H	α-helix	trans	-72.5	-41	176.8	-72.5	-48.6	0	0	0	112.1	D288 N289 L295 M296	D288-N292 PolarHBondContact O-N 3.35Å; D288-N292 PolarHBondContact O-ND2 3.48Å; D288-N292 VanDerWaalsContact O-ND2 3.1Å; N289-N292 PolarHBondContact O-N 2.67Å; N289-N292 VanDerWaalsContact O-N 3.07Å; N292-L295 PolarHBondContact O-N 3.04Å; N292-M296 WeakPolarHBondContact O-CB 3.4Å; N292-M296 PolarHBondContact O-N 3.38Å
293	I	53	Low	47.2	Very low	70 Å²	70	93.5 Å²	93.5	36%	0.359	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-48.5	174.7	-67.7	164.9	0	0	0	110	N289 L295 M296 M297	N289-I293 WeakPolarHBondContact O-CG1 3.41Å; N289-I293 PolarHBondContact O-N 3.31Å; I293-L295 VanDerWaalsContact C-N 3.34Å; I293-L295 PolarHBondContact O-N 3.46Å; I293-M296 PolarHBondContact O-N 3.17Å; I293-M296 VanDerWaalsContact O-N 3.15Å; I293-M297 HydrophobicContact CG2-CG 4.42Å; I293-M297 HydrophobicContact CG2-SD 4.01Å; I293-M297 WeakPolarHBondContact O-CG 3.32Å; I293-M297 PolarHBondContact O-N 3.23Å
294	L	54.3	Low	47.7	Very low	97 Å²	97	91.2 Å²	91.2	51%	0.508	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-38.4	178.4	-173.3	66.6	0	0	0	112	N290 M297 L298	N290-L294 WeakPolarHBondContact O-CB 3.24Å; N290-L294 PolarHBondContact O-N 3.19Å; L294-M297 PolarHBondContact O-N 3.34Å; L294-L298 HydrophobicContact CG-CD1 4.21Å; L294-L298 WeakPolarHBondContact O-CB 3.33Å; L294-L298 VanDerWaalsContact O-CG 3.27Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 3.23Å
295	L	59	Low	48.1	Very low	97 Å²	97	90.6 Å²	90.6	51%	0.508	46%	0.464	S	S	.	.	H	α-helix	trans	-64	-42.7	172.8	-178.9	61.4	0	0	0	111.4	S291 N292 I293 L298 M299	S291-L295 VanDerWaalsContact O-CB 3.24Å; S291-L295 WeakPolarHBondContact O-CB 3.27Å; S291-L295 PolarHBondContact O-N 2.7Å; N292-L295 PolarHBondContact O-N 3.04Å; I293-L295 VanDerWaalsContact C-N 3.34Å; I293-L295 PolarHBondContact O-N 3.46Å; L295-L298 PolarHBondContact O-N 3.03Å; L295-M299 HydrophobicContact CD1-CG 4.42Å; L295-M299 HydrophobicContact CG-SD 4.48Å; L295-M299 WeakPolarHBondContact O-CB 3.47Å; L295-M299 WeakPolarHBondContact O-CG 3.36Å; L295-M299 PolarHBondContact O-N 3.39Å
296	M	50.8	Low	48.3	Very low	115 Å²	115	88.2 Å²	88.2	57%	0.567	45%	0.447	S	S	*	.	H	α-helix	trans	-66.6	-38.2	177.9	-158.3	174.9	72.5	0	0	111.8	N292 I293 M299 M300	N292-M296 WeakPolarHBondContact O-CB 3.4Å; N292-M296 PolarHBondContact O-N 3.38Å; I293-M296 PolarHBondContact O-N 3.17Å; I293-M296 VanDerWaalsContact O-N 3.15Å; M296-M299 PolarHBondContact O-N 3.03Å; M296-M300 HydrophobicContact CE-CE 3.81Å; M296-M300 HydrophobicContact CG-CE 3.93Å; M296-M300 WeakPolarHBondContact O-CB 3.38Å; M296-M300 WeakPolarHBondContact O-CG 3.48Å; M296-M300 PolarHBondContact O-N 2.97Å
297	M	52	Low	48.5	Very low	53 Å²	53	89.4 Å²	89.4	26%	0.261	45%	0.451	S	S	.	.	H	α-helix	trans	-64.4	-44.7	171.1	-70	176.6	80	0	0	111.7	I282 I293 L294 M299 M300 M301	I282-M297 HydrophobicContact CD1-SD 3.93Å; I293-M297 HydrophobicContact CG2-CG 4.42Å; I293-M297 HydrophobicContact CG2-SD 4.01Å; I293-M297 WeakPolarHBondContact O-CG 3.32Å; I293-M297 PolarHBondContact O-N 3.23Å; L294-M297 PolarHBondContact O-N 3.34Å; M297-M299 PolarHBondContact O-N 2.76Å; M297-M300 CarbonylContact O-C 3.49Å; M297-M300 PolarHBondContact O-N 3.14Å; M297-M301 WeakPolarHBondContact O-CB 3.43Å; M297-M301 VanDerWaalsContact O-CG 3.3Å; M297-M301 WeakPolarHBondContact O-CG 3.49Å; M297-M301 PolarHBondContact O-N 2.94Å
298	L	59.8	Low	48.4	Very low	65 Å²	65	87.4 Å²	87.4	34%	0.34	44%	0.44	S	S	.	.	H	α-helix	trans	-63	-40.7	175.9	-77.2	166.9	0	0	0	112	L294 L295 M301 F302	L294-L298 HydrophobicContact CG-CD1 4.21Å; L294-L298 WeakPolarHBondContact O-CB 3.33Å; L294-L298 VanDerWaalsContact O-CG 3.27Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 3.23Å; L295-L298 PolarHBondContact O-N 3.03Å; L298-M301 PolarHBondContact O-N 3.46Å; L298-F302 WeakPolarHBondContact O-CB 3.45Å; L298-F302 PolarHBondContact O-N 2.73Å
299	M	53.3	Low	48.3	Very low	119 Å²	119	86.4 Å²	86.4	59%	0.586	44%	0.443	S	S	*	.	H	α-helix	trans	-65.5	-40.5	173.1	-71	-172.9	80.4	0	0	111.5	L295 M296 M297 F302 M303	L295-M299 HydrophobicContact CD1-CG 4.42Å; L295-M299 HydrophobicContact CG-SD 4.48Å; L295-M299 WeakPolarHBondContact O-CB 3.47Å; L295-M299 WeakPolarHBondContact O-CG 3.36Å; L295-M299 PolarHBondContact O-N 3.39Å; M296-M299 PolarHBondContact O-N 3.03Å; M297-M299 PolarHBondContact O-N 2.76Å; M299-F302 PolarHBondContact O-N 3.34Å; M299-M303 VanDerWaalsContact O-CB 3.29Å; M299-M303 WeakPolarHBondContact O-CB 3.36Å; M299-M303 WeakPolarHBondContact O-CG 3.26Å; M299-M303 PolarHBondContact O-N 3.3Å
300	M	50.6	Low	47.9	Very low	53 Å²	53	88.1 Å²	88.1	26%	0.261	45%	0.451	S	S	.	.	H	α-helix	trans	-63.7	-41.7	173.2	-82.4	-168.8	-96	0	0	112.7	L268 L272 M296 M297 M303 K304	L268-M300 HydrophobicContact CD1-SD 4.26Å; L272-M300 HydrophobicContact CD2-CB 3.91Å; L272-M300 HydrophobicContact CD2-CG 4.15Å; L272-M300 HydrophobicContact CD2-SD 4.24Å; M296-M300 HydrophobicContact CE-CE 3.81Å; M296-M300 HydrophobicContact CG-CE 3.93Å; M296-M300 WeakPolarHBondContact O-CB 3.38Å; M296-M300 WeakPolarHBondContact O-CG 3.48Å; M296-M300 PolarHBondContact O-N 2.97Å; M297-M300 CarbonylContact O-C 3.49Å; M297-M300 PolarHBondContact O-N 3.14Å; M300-M303 PolarHBondContact O-N 3.36Å; M300-K304 WeakPolarHBondContact O-CB 3.41Å; M300-K304 PolarHBondContact O-N 2.93Å
301	M	52.1	Low	47.3	Very low	110 Å²	110	92.4 Å²	92.4	54%	0.542	47%	0.471	S	S	.	.	H	α-helix	trans	-63.8	-40.8	174.4	-72.3	175	71.6	0	0	111.9	M297 L298 R305	M297-M301 WeakPolarHBondContact O-CB 3.43Å; M297-M301 VanDerWaalsContact O-CG 3.3Å; M297-M301 WeakPolarHBondContact O-CG 3.49Å; M297-M301 PolarHBondContact O-N 2.94Å; L298-M301 PolarHBondContact O-N 3.46Å; M301-R305 VanDerWaalsContact O-CB 3.27Å; M301-R305 WeakPolarHBondContact O-CB 3.43Å; M301-R305 PolarHBondContact O-N 2.97Å
302	F	52.9	Low	46.7	Very low	117 Å²	117	95.6 Å²	95.6	51%	0.513	49%	0.491	S	S	.	.	H	α-helix	trans	-66.6	-44.8	175.9	-171.7	-105.6	0	0	0	111.5	L298 M299 R305 N306	L298-F302 WeakPolarHBondContact O-CB 3.45Å; L298-F302 PolarHBondContact O-N 2.73Å; M299-F302 PolarHBondContact O-N 3.34Å; F302-R305 PolarHBondContact O-N 2.76Å; F302-N306 WeakPolarHBondContact CD1-ND2 3.15Å; F302-N306 WeakPolarHBondContact CE1-ND2 3.21Å; F302-N306 WeakPolarHBondContact CZ-ND2 3.41Å; F302-N306 WeakPolarHBondContact O-CB 3.31Å; F302-N306 VanDerWaalsContact O-CG 3.25Å; F302-N306 PolarHBondContact O-N 2.98Å; F302-N306 PolarHBondContact O-ND2 3.27Å; F302-N306 VanDerWaalsContact O-ND2 3.14Å
303	M	48.3	Very low	45.9	Very low	110 Å²	110	96.6 Å²	96.6	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-60	-46.8	174.3	-70.3	-94.3	-83.3	0	0	111.6	M299 M300 N306 M307	M299-M303 VanDerWaalsContact O-CB 3.29Å; M299-M303 WeakPolarHBondContact O-CB 3.36Å; M299-M303 WeakPolarHBondContact O-CG 3.26Å; M299-M303 PolarHBondContact O-N 3.3Å; M300-M303 PolarHBondContact O-N 3.36Å; M303-N306 PolarHBondContact O-N 2.9Å; M303-M307 WeakPolarHBondContact O-CG 3.42Å; M303-M307 PolarHBondContact O-N 3.27Å
304	K	46.5	Very low	44.8	Very low	58 Å²	58	98.5 Å²	98.5	25%	0.252	52%	0.521	S	S	.	.	H	α-helix	trans	-59.9	-52.4	176	179.9	166.6	-174.7	172.2	0	111.4	L272 M300 N306 M307 D308	L272-K304 HydrophobicContact CD2-CB 4.4Å; L272-K304 WeakPolarHBondContact O-CD 3.29Å; L272-K304 WeakPolarHBondContact O-CE 3.27Å; L272-K304 PolarHBondContact O-NZ 3.45Å; M300-K304 WeakPolarHBondContact O-CB 3.41Å; M300-K304 PolarHBondContact O-N 2.93Å; K304-N306 VanDerWaalsContact C-N 3.26Å; K304-N306 PolarHBondContact O-N 2.72Å; K304-M307 PolarHBondContact O-N 2.86Å; K304-D308 WeakPolarHBondContact CG-OD2 3.4Å; K304-D308 WeakPolarHBondContact O-CB 3.38Å; K304-D308 VanDerWaalsContact O-CG 3.27Å; K304-D308 PolarHBondContact O-N 3.17Å
305	R	43.7	Very low	43.7	Very low	106 Å²	106	100 Å²	100	40%	0.4	53%	0.529	S	S	.	.	H	α-helix	trans	-58.6	-34.7	179.1	178	171.6	159.1	122.3	-6.7	113	N179 M301 F302 S309	N179-R305 VanDerWaalsContact CG-NH2 3.34Å; N179-R305 PolarHBondContact ND2-NH2 2.84Å; N179-R305 VanDerWaalsContact ND2-NH2 3.15Å; M301-R305 VanDerWaalsContact O-CB 3.27Å; M301-R305 WeakPolarHBondContact O-CB 3.43Å; M301-R305 PolarHBondContact O-N 2.97Å; F302-R305 PolarHBondContact O-N 2.76Å; R305-S309 WeakPolarHBondContact O-CB 3.17Å; R305-S309 PolarHBondContact O-N 2.88Å; R305-S309 VanDerWaalsContact O-N 3.14Å
306	N	45.5	Very low	42.4	Very low	62 Å²	62	101.5 Å²	101.5	33%	0.332	55%	0.545	S	S	.	.	H	α-helix	trans	-75	-35.1	175	-69.3	-28.5	0	0	0	112.7	F302 M303 K304 L310	F302-N306 WeakPolarHBondContact CD1-ND2 3.15Å; F302-N306 WeakPolarHBondContact CE1-ND2 3.21Å; F302-N306 WeakPolarHBondContact CZ-ND2 3.41Å; F302-N306 WeakPolarHBondContact O-CB 3.31Å; F302-N306 VanDerWaalsContact O-CG 3.25Å; F302-N306 PolarHBondContact O-N 2.98Å; F302-N306 PolarHBondContact O-ND2 3.27Å; F302-N306 VanDerWaalsContact O-ND2 3.14Å; M303-N306 PolarHBondContact O-N 2.9Å; K304-N306 VanDerWaalsContact C-N 3.26Å; K304-N306 PolarHBondContact O-N 2.72Å; N306-L310 WeakPolarHBondContact O-CD1 3.36Å; N306-L310 WeakPolarHBondContact O-CG 3.24Å; N306-L310 PolarHBondContact O-N 2.84Å
307	M	40.7	Very low	41.5	Very low	112 Å²	112	103 Å²	103	55%	0.552	55%	0.554	S	S	*	*	H	α-helix	trans	-68.9	-43.4	172.7	-74	-71.1	119.4	0	0	112.3	M303 K304 S309 L310 M311	M303-M307 WeakPolarHBondContact O-CG 3.42Å; M303-M307 PolarHBondContact O-N 3.27Å; K304-M307 PolarHBondContact O-N 2.86Å; M307-S309 VanDerWaalsContact C-N 3.25Å; M307-S309 PolarHBondContact O-N 3.2Å; M307-L310 HydrophobicContact CE-CD1 4.23Å; M307-L310 PolarHBondContact O-N 3.39Å; M307-M311 PolarHBondContact O-N 3.45Å
308	D	38.2	Very low	40.5	Very low	90 Å²	90	108.1 Å²	108.1	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-61.5	-35.6	176.1	-67.5	-21.4	0	0	0	110.9	K304 L310	K304-D308 WeakPolarHBondContact CG-OD2 3.4Å; K304-D308 WeakPolarHBondContact O-CB 3.38Å; K304-D308 VanDerWaalsContact O-CG 3.27Å; K304-D308 PolarHBondContact O-N 3.17Å; D308-L310 PolarHBondContact O-N 3Å
309	S	37.4	Very low	39.2	Very low	99 Å²	99	114.9 Å²	114.9	69%	0.692	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-7.6	174.2	-169.1	0	0	0	0	114.6	R305 M307	R305-S309 WeakPolarHBondContact O-CB 3.17Å; R305-S309 PolarHBondContact O-N 2.88Å; R305-S309 VanDerWaalsContact O-N 3.14Å; M307-S309 VanDerWaalsContact C-N 3.25Å; M307-S309 PolarHBondContact O-N 3.2Å
310	L	33	Very low	38.1	Very low	127 Å²	127	114.4 Å²	114.4	67%	0.665	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	-9.2	179.1	-71.5	169.3	0	0	0	113.3	N306 M307 D308	N306-L310 WeakPolarHBondContact O-CD1 3.36Å; N306-L310 WeakPolarHBondContact O-CG 3.24Å; N306-L310 PolarHBondContact O-N 2.84Å; M307-L310 HydrophobicContact CE-CD1 4.23Å; M307-L310 PolarHBondContact O-N 3.39Å; D308-L310 PolarHBondContact O-N 3Å
311	M	30.1	Very low	37.4	Very low	120 Å²	120	117.2 Å²	117.2	59%	0.591	64%	0.64	S	S	*	*	S	Bend	trans	-104.7	122.3	179	-73.2	-70.5	159.9	0	0	111.3	M307 T313	M307-M311 PolarHBondContact O-N 3.45Å; M311-T313 PolarHBondContact O-N 2.8Å
312	P	29.1	Very low	36.2	Very low	125 Å²	125	118.8 Å²	118.8	81%	0.812	66%	0.656	S	S	*	*			trans	-74.5	96.2	178	29.9	-33.5	0	0	0	110.9	S314	P312-S314 PolarHBondContact O-N 3.13Å
313	T	32.6	Very low	35.2	Very low	123 Å²	123	120.9 Å²	120.9	76%	0.755	67%	0.672	S	S	*	*			trans	-64	115	176.8	55.2	0	0	0	0	111.6	M311 N315	M311-T313 PolarHBondContact O-N 2.8Å; T313-N315 PolarHBondContact O-N 3.17Å
314	S	31.5	Very low	34.2	Very low	111 Å²	111	120.8 Å²	120.8	78%	0.776	68%	0.682	S	S	*	*			trans	-76.8	116.1	170.8	41.9	0	0	0	0	110.7	P312 P316	P312-S314 PolarHBondContact O-N 3.13Å; S314-P316 WeakPolarHBondContact O-CD 3.41Å
315	N	30	Very low	33.5	Very low	128 Å²	128	126.4 Å²	126.4	68%	0.684	71%	0.714	S	S	*	*			trans	-62.2	122.7	-177.9	-82.1	-26.2	0	0	0	112.6	T313 L317	T313-N315 PolarHBondContact O-N 3.17Å; N315-L317 HydrophobicContact CB-CD1 4.28Å; N315-L317 PolarHBondContact O-N 3.27Å
316	P	32.1	Very low	33	Very low	129 Å²	129	126.7 Å²	126.7	84%	0.838	73%	0.732	S	S	*	*			trans	-80	62.3	173.8	33.9	-35.5	0	0	0	111.6	S314 N318	S314-P316 WeakPolarHBondContact O-CD 3.41Å; P316-N318 PolarHBondContact O-N 3.23Å
317	L	31.8	Very low	32.2	Very low	145 Å²	145	128.9 Å²	128.9	76%	0.759	75%	0.752	S	S	*	*			trans	-90.2	75.5	-176	-103.8	166.6	0	0	0	112.6	N315	N315-L317 HydrophobicContact CB-CD1 4.28Å; N315-L317 PolarHBondContact O-N 3.27Å
318	N	30.2	Very low	32	Very low	162 Å²	162	129 Å²	129	87%	0.866	76%	0.761	S	S	*	*			trans	-167.4	82.5	152.8	-102.7	-35.2	0	0	0	112.6	P316	P316-N318 PolarHBondContact O-N 3.23Å
319	K	33.8	Very low	31.9	Very low	206 Å²	206	130.2 Å²	130.2	90%	0.896	78%	0.777	S	S	*	*			trans	-122.4	108	153.6	-77.5	-176	178.2	176.4	0	107.5
320	S	29.8	Very low	31.7	Very low	109 Å²	109	129.1 Å²	129.1	76%	0.762	78%	0.781	S	S	*	*			trans	-71.7	128.8	177.8	34.9	0	0	0	0	110.4
321	P	35.2	Very low	31.9	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	79%	0.787	S	S	*	*			trans	-75.8	128.4	178.2	29.7	-33.4	0	0	0	111	L323	P321-L323 PolarHBondContact O-N 3.45Å; P321-L323 VanDerWaalsContact O-N 3.1Å
322	T	28.7	Very low	32.1	Very low	142 Å²	142	128.4 Å²	128.4	87%	0.871	80%	0.795	S	S	*	*			trans	-72.2	99.6	174.4	-43	0	0	0	0	110.1
323	L	31.4	Very low	32.3	Very low	161 Å²	161	128.3 Å²	128.3	84%	0.843	79%	0.793	S	S	*	*			trans	-91.6	106.3	171.3	-77.7	174.8	0	0	0	110.8	P321	P321-L323 PolarHBondContact O-N 3.45Å; P321-L323 VanDerWaalsContact O-N 3.1Å
324	S	26.1	Very low	32.3	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	79%	0.794	S	S	*	*			trans	-70.9	124.4	166.6	52	0	0	0	0	110.7
325	L	33	Very low	32.3	Very low	176 Å²	176	127.6 Å²	127.6	92%	0.921	79%	0.793	S	S	*	*			trans	-130	139.9	162.8	-139	76.4	0	0	0	109.7
326	S	32.4	Very low	32.7	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	80%	0.795	S	S	*	*			trans	-82.4	147.9	-167.6	51.5	0	0	0	0	114.1
327	S	29.9	Very low	32.6	Very low	108 Å²	108	125.9 Å²	125.9	76%	0.755	79%	0.791	S	S	*	*			trans	-57	165.3	166	-39.7	0	0	0	0	112.5
328	P	35.9	Very low	32.6	Very low	114 Å²	114	124.4 Å²	124.4	74%	0.74	79%	0.793	S	S	*	*				-148.2	158.6	91.9	39.8	-24.4	0	0	0	117.4
329	S	36	Very low	32.5	Very low	116 Å²	116	122.1 Å²	122.1	81%	0.811	79%	0.79	S	S	*	*			trans	54.6	130.8	142.9	63.6	0	0	0	0	122.9
330	G	33.7	Very low	32.4	Very low	75 Å²	75	121.5 Å²	121.5	77%	0.773	79%	0.792	S	S	*	*			trans	143.9	107	151.5	0	0	0	0	0	114.9
331	P	37	Very low	32.3	Very low	123 Å²	123	124.5 Å²	124.5	80%	0.799	80%	0.797	S	S	*	*			trans	-109.5	-171	-171.3	41.5	-35.2	0	0	0	115.1
332	S	33.2	Very low	31.9	Very low	109 Å²	109	126.5 Å²	126.5	76%	0.762	80%	0.8	S	S	*	*			trans	86.1	139.8	177.7	82.2	0	0	0	0	115.2
333	T	33.7	Very low	32	Very low	124 Å²	124	125.5 Å²	125.5	76%	0.761	79%	0.794	S	S	*	*			cis	-156.8	162.5	-4.3	-3.9	0	0	0	0	112.9
334	S	33.4	Very low	32	Very low	110 Å²	110	123.9 Å²	123.9	77%	0.769	79%	0.791	S	S	*	*			trans	56.3	115.3	151.1	59.1	0	0	0	0	122
335	S	31.8	Very low	32.3	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	79%	0.792	S	S	*	*			trans	-75.9	-168.5	147.5	59.1	0	0	0	0	110.9
336	P	36.9	Very low	32.3	Very low	112 Å²	112	121.4 Å²	121.4	73%	0.727	79%	0.786	S	S	*	*			cis	-142.8	-177.1	5.4	43.3	-22.8	0	0	0	118.4
337	S	30.1	Very low	32.5	Very low	109 Å²	109	122 Å²	122	76%	0.762	79%	0.787	S	S	*	*			trans	-30	142	165.9	-39.4	0	0	0	0	121.2
338	S	32	Very low	32.6	Very low	114 Å²	114	122 Å²	122	80%	0.797	79%	0.787	S	S	*	*			trans	-172	126.2	131.2	-80.3	0	0	0	0	108.6
339	S	28.1	Very low	32.2	Very low	115 Å²	115	124 Å²	124	80%	0.804	79%	0.791	S	S	*	*				67.9	101.5	68.8	-168.2	0	0	0	0	114.4
340	M	32.4	Very low	31.9	Very low	192 Å²	192	123.1 Å²	123.1	95%	0.946	78%	0.78	S	S	*	*			trans	-163.6	147.9	140	-110.4	176.9	-174.3	0	0	111.6
341	M	26.8	Very low	31.9	Very low	173 Å²	173	129.1 Å²	129.1	85%	0.852	79%	0.785	S	S	*	*			trans	-86.7	159.2	170.5	-64.1	172.5	163.9	0	0	110.6
342	L	27.2	Very low	31.4	Very low	154 Å²	154	126.7 Å²	126.7	81%	0.806	78%	0.782	S	S	*	*				157.9	153	118.7	-86	154.3	0	0	0	114.8
343	T	30.1	Very low	31.2	Very low	121 Å²	121	129 Å²	129	74%	0.742	79%	0.786	S	S	*	*			trans	59.9	104.3	150.6	48.3	0	0	0	0	122
344	T	31.7	Very low	31.1	Very low	127 Å²	127	128 Å²	128	78%	0.779	78%	0.779	S	S	*	*				-27.1	152	127.8	47.9	0	0	0	0	115.2
345	P	32.7	Very low	30.8	Very low	122 Å²	122	128.1 Å²	128.1	79%	0.792	78%	0.776	S	S	*	*				-152	173.2	58	42.1	-22	0	0	0	119.4
346	S	34.4	Very low	30.6	Very low	112 Å²	112	130 Å²	130	78%	0.783	77%	0.774	S	S	*	*			trans	-69.6	165.5	165.2	-39.3	0	0	0	0	112.4
347	P	35.7	Very low	30.1	Very low	124 Å²	124	129.5 Å²	129.5	81%	0.805	77%	0.769	S	S	*	*				-147.1	172.2	104.7	39.2	-24.6	0	0	0	115.8
348	S	30.9	Very low	30	Very low	108 Å²	108	129.6 Å²	129.6	76%	0.755	77%	0.765	S	S	*	*			trans	-116.2	137.5	-179.6	56.6	0	0	0	0	113.1
349	L	29.4	Very low	29.7	Very low	157 Å²	157	129.4 Å²	129.4	82%	0.822	76%	0.759	S	S	*	*			trans	-160.1	156.6	163.5	-83.7	112.1	0	0	0	110.1
350	T	28.5	Very low	29.6	Very low	96 Å²	96	129.5 Å²	129.5	59%	0.589	76%	0.755	S	S	*	*			cis	-170	172.1	-31.4	36.3	0	0	0	0	108.6
351	K	32.9	Very low	29.3	Very low	201 Å²	201	126 Å²	126	87%	0.874	75%	0.745	S	S	*	*			trans	78.2	143.9	168.3	-48.6	165.7	-168.3	176.7	0	113.2
352	G	27.5	Very low	29.3	Very low	72 Å²	72	123 Å²	123	74%	0.742	74%	0.736	S	S	*	*			cis	128.2	143.9	12.1	0	0	0	0	0	108.7
353	L	28.5	Very low	29.4	Very low	159 Å²	159	121.7 Å²	121.7	83%	0.832	74%	0.735	S	S	*	*			cis	-166.6	168.1	21.2	-167.4	74.7	0	0	0	111.2
354	T	31.4	Very low	29.3	Very low	101 Å²	101	121.1 Å²	121.1	62%	0.62	73%	0.731	S	S	*	*			trans	75.2	107.2	147.1	23.7	0	0	0	0	123
355	T	27.7	Very low	29.1	Very low	114 Å²	114	120.7 Å²	120.7	70%	0.699	72%	0.724	S	S	*	*				66.6	157.3	125.8	55.9	0	0	0	0	121
356	M	27.2	Very low	28.8	Very low	146 Å²	146	122.5 Å²	122.5	72%	0.719	72%	0.722	S	S	*	*			cis	-152.2	150.2	11	-138.3	10.7	165.1	0	0	111.5
357	T	26.4	Very low	28.4	Very low	103 Å²	103	126.7 Å²	126.7	63%	0.632	73%	0.727	S	S	*	*			trans	30	146	144.2	51.4	0	0	0	0	122.4
358	T	27.5	Very low	27.9	Very low	111 Å²	111	128.7 Å²	128.7	68%	0.681	73%	0.727	S	S	*	*			cis	-164.8	150.7	20	-2.1	0	0	0	0	113.5
359	T	26.7	Very low	27.6	Very low	109 Å²	109	129.9 Å²	129.9	67%	0.669	73%	0.725	S	S	*	*			trans	52.1	118.4	142.9	58.2	0	0	0	0	123.9
360	T	25.7	Very low	27.5	Very low	118 Å²	118	129.6 Å²	129.6	72%	0.724	72%	0.724	S	S	*	*				63.7	144.5	124.8	66.8	0	0	0	0	121.2
361	T	26.2	Very low	27.3	Very low	118 Å²	118	133 Å²	133	72%	0.724	73%	0.733	S	S	*	*			cis	-162.7	152.3	5.3	6.2	0	0	0	0	113
362	T	28	Very low	27	Very low	109 Å²	109	130.9 Å²	130.9	67%	0.669	73%	0.73	S	S	*	*			trans	26.4	110.1	147.9	32.7	0	0	0	0	121.2
363	T	28.4	Very low	26.8	Very low	127 Å²	127	134 Å²	134	78%	0.779	73%	0.728	S	S	*	*				83.2	164.9	96.4	62.8	0	0	0	0	115.4
364	V	28.4	Very low	26.8	Very low	109 Å²	109	134.3 Å²	134.3	66%	0.661	73%	0.725	S	S	*	*			cis	-154.9	152	11.6	88.7	0	0	0	0	112
365	N	26.6	Very low	26.4	Very low	119 Å²	119	134 Å²	134	64%	0.636	73%	0.726	S	S	*	*			trans	52.3	153.7	156.9	-64.2	-9.5	0	0	0	121.6
366	Q	26.5	Very low	26.6	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	73%	0.734	S	S	*	*			cis	-158	138.6	-20.6	-113.3	159.9	-32	0	0	106.9
367	F	25.8	Very low	26.5	Very low	200 Å²	200	137.5 Å²	137.5	88%	0.877	74%	0.736	S	S	*	*			trans	-76.3	146.3	169.4	-81.1	-113.5	0	0	0	109.3
368	M	26	Very low	26.6	Very low	165 Å²	165	138.1 Å²	138.1	81%	0.813	74%	0.744	S	S	*	*			cis	72.7	151.8	40.8	-121.3	177.3	-173.5	0	0	114.4
369	D	25.3	Very low	26.8	Very low	133 Å²	133	138.3 Å²	138.3	71%	0.711	75%	0.75	S	S	*	*			trans	-79.6	177.9	-159.7	-46.7	-93	0	0	0	115
370	D	25.5	Very low	26.8	Very low	151 Å²	151	141.6 Å²	141.6	81%	0.807	76%	0.758	S	S	*	*			trans	73.6	156.7	154	-75.7	-31.8	0	0	0	122.5
371	H	25.7	Very low	27.2	Very low	167 Å²	167	144.7 Å²	144.7	77%	0.773	76%	0.764	S	S	*	*			trans	-38.2	143.3	174.5	-61.6	-108.8	0	0	0	116.2
372	I	25.5	Very low	27.3	Very low	158 Å²	158	144.5 Å²	144.5	81%	0.81	75%	0.754	S	S	*	*				-178.5	164.7	115	-94.7	158.5	0	0	0	111.8
373	L	24.6	Very low	27.3	Very low	136 Å²	136	150.4 Å²	150.4	71%	0.712	77%	0.766	S	S	*	*			trans	-49.1	151.1	174.3	-60.4	82.2	0	0	0	112
374	H	27.1	Very low	27.3	Very low	166 Å²	166	149.1 Å²	149.1	77%	0.769	75%	0.754	S	S	*	*				-164.4	168.6	61.2	-122.7	-25.3	0	0	0	115.7
375	C	24.9	Very low	27.4	Very low	95 Å²	95	152.3 Å²	152.3	64%	0.642	77%	0.767	S	S	*	*			trans	-51	156.4	173.8	-47.8	0	0	0	0	116
376	D	30.6	Very low	27.6	Very low	160 Å²	160	153.8 Å²	153.8	86%	0.856	77%	0.774	S	S	*	*				-139.6	176.1	114.4	-146.5	-19.1	0	0	0	111.2
377	K	25.8	Very low	27.5	Very low	174 Å²	174	155.2 Å²	155.2	76%	0.757	78%	0.78	S	S	*	*			trans	-119.1	-179.5	-157.8	-68.8	177.7	177.7	173.3	0	114.8
378	S	27.5	Very low	27.8	Very low	116 Å²	116	153 Å²	153	81%	0.811	78%	0.777	S	S	*	*			trans	85.5	143.2	174.1	78	0	0	0	0	115.2
379	S	33	Very low	28.1	Very low	115 Å²	115	149.8 Å²	149.8	80%	0.804	77%	0.769	S	S	*	*			cis	-121.6	148.3	15.4	-68.8	0	0	0	0	115
380	Q	26.7	Very low	28.2	Very low	177 Å²	177	150.3 Å²	150.3	83%	0.827	77%	0.771	S	S	*	*			trans	-99.7	147.9	168.8	-69.4	177.7	-43.9	0	0	111.1
381	H	32.4	Very low	28.4	Very low	184 Å²	184	153.3 Å²	153.3	85%	0.852	77%	0.773	S	S	*	*			trans	-148	147.4	144.8	-86.2	-77.6	0	0	0	108.9
382	H	28.6	Very low	28.5	Very low	113 Å²	113	151.6 Å²	151.6	52%	0.523	77%	0.769	S	S	.	*			cis	-170.7	132.8	-30.4	-153.9	82.3	0	0	0	106.1	N384	H382-N384 PolarHBondContact CD2-ND2 3.29Å; H382-N384 PolarHBondContact NE2-ND2 3.33Å; H382-N384 PolarHBondContact NE2-OD1 2.86Å
383	Y	29.1	Very low	28.5	Very low	234 Å²	234	150.4 Å²	150.4	92%	0.918	76%	0.764	S	S	*	*			trans	-166.7	137	143.2	-105.7	-65.5	0	0	0	109.4
384	N	27.8	Very low	28.8	Very low	99 Å²	99	150.9 Å²	150.9	53%	0.529	77%	0.773	S	S	.	*			trans	-102.7	154.8	-164.4	-59.1	-57.5	0	0	0	112.2	H382	H382-N384 PolarHBondContact CD2-ND2 3.29Å; H382-N384 PolarHBondContact NE2-ND2 3.33Å; H382-N384 PolarHBondContact NE2-OD1 2.86Å
385	L	30.6	Very low	28.9	Very low	177 Å²	177	146 Å²	146	93%	0.927	77%	0.768	S	S	*	*				-160.6	142.6	113.2	-101.5	153	0	0	0	110
386	L	30.2	Very low	29.2	Very low	149 Å²	149	149.9 Å²	149.9	78%	0.78	78%	0.782	S	S	*	*			trans	-91.4	147	-167.4	-76	79	0	0	0	112.5
387	H	26	Very low	29.2	Very low	190 Å²	190	145.6 Å²	145.6	88%	0.88	78%	0.776	S	S	*	*			trans	-71.5	142	148.9	-85.9	-33.5	0	0	0	110.2
388	N	31.8	Very low	29.4	Very low	153 Å²	153	144 Å²	144	82%	0.818	78%	0.775	S	S	*	*			trans	-144	108.1	156.4	-169	15.2	0	0	0	109.2
389	P	31	Very low	29.6	Very low	98 Å²	98	146.8 Å²	146.8	64%	0.636	77%	0.773	S	S	*	*			trans	-91.4	128.4	178.1	33.6	-29.9	0	0	0	111.2
390	N	29	Very low	29.5	Very low	144 Å²	144	150.7 Å²	150.7	77%	0.77	78%	0.775	S	S	*	*			trans	167.6	158	138.1	-89.1	-44	0	0	0	111
391	Y	29.5	Very low	29.6	Very low	214 Å²	214	147 Å²	147	84%	0.839	77%	0.769	S	S	*	*			trans	64.7	145.8	-177	-59.2	-91.4	0	0	0	115.6
392	L	26.3	Very low	29.4	Very low	131 Å²	131	146.3 Å²	146.3	69%	0.686	77%	0.768	S	S	*	*			cis	167.9	137.4	-34.2	-110.3	161.1	0	0	0	105.1
393	N	27.1	Very low	29.3	Very low	133 Å²	133	149.3 Å²	149.3	71%	0.711	78%	0.779	S	S	*	*			trans	68.3	133.2	162.4	-66.2	-16.1	0	0	0	121
394	T	30.5	Very low	29.1	Very low	146 Å²	146	142.3 Å²	142.3	90%	0.896	76%	0.764	S	S	*	*			trans	61.1	131.1	147.3	52.9	0	0	0	0	119.6
395	G	28.8	Very low	29	Very low	65 Å²	65	144 Å²	144	67%	0.67	77%	0.773	S	S	*	*			cis	167.9	153.2	-3.5	0	0	0	0	0	111.9
396	D	30.7	Very low	28.7	Very low	175 Å²	175	142.8 Å²	142.8	94%	0.936	77%	0.766	S	S	*	*			trans	58.6	148.5	176.9	-54.4	-41	0	0	0	116.5
397	G	30.5	Very low	28.6	Very low	70 Å²	70	142.3 Å²	142.3	72%	0.722	77%	0.769	S	S	*	*			cis	-179.2	168.3	-3.7	0	0	0	0	0	107.6
398	L	30.6	Very low	28.6	Very low	141 Å²	141	139.7 Å²	139.7	74%	0.738	76%	0.761	S	S	*	*			cis	-169	156.4	8.1	-109.8	169	0	0	0	109
399	K	31.2	Very low	28.6	Very low	175 Å²	175	140.3 Å²	140.3	76%	0.761	77%	0.765	S	S	*	*			trans	68.7	134.1	158	-66.9	154.9	-172.1	170.6	0	116.8
400	K	32.2	Very low	28.3	Very low	196 Å²	196	144 Å²	144	85%	0.852	77%	0.773	S	S	*	*			cis	-156.8	168.6	0	-89.9	163.3	179.3	-177.6	0	107.1
401	S	27	Very low	28.4	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	78%	0.776	S	S	*	*			cis	176.3	157.8	-35.3	-166.2	0	0	0	0	108.1
402	M	28.5	Very low	28.5	Very low	169 Å²	169	142.1 Å²	142.1	83%	0.833	78%	0.778	S	S	*	*			trans	70.8	144.8	168.1	-67.5	-171	-178.1	0	0	118.3
403	K	27	Very low	28.4	Very low	176 Å²	176	144.4 Å²	144.4	77%	0.765	79%	0.79	S	S	*	*			cis	-166.7	150.8	-24.3	-137.5	-171.9	174.1	-175	0	111.8
404	C	24.3	Very low	28.4	Very low	88 Å²	88	148.2 Å²	148.2	60%	0.595	79%	0.794	S	S	*	*			trans	56.5	124.4	146.5	-78.3	0	0	0	0	124
405	N	27	Very low	28.2	Very low	134 Å²	134	149.9 Å²	149.9	72%	0.717	79%	0.789	S	S	*	*				69.4	114.5	122.5	-56.4	16.5	0	0	0	122.3
406	I	23.8	Very low	28.2	Very low	151 Å²	151	156.8 Å²	156.8	77%	0.774	80%	0.801	S	S	*	*				26.5	111.8	116	-48.2	164	0	0	0	117.1
407	V	27.9	Very low	28	Very low	139 Å²	139	156.7 Å²	156.7	84%	0.842	79%	0.793	S	S	*	*				-144.2	146	125.6	-172.5	0	0	0	0	106.8
408	D	26.5	Very low	28	Very low	135 Å²	135	158.7 Å²	158.7	72%	0.722	79%	0.786	S	S	*	*			trans	-70.1	165.4	171.6	-54.3	-91.9	0	0	0	112.3
409	D	30.7	Very low	28	Very low	167 Å²	167	157.7 Å²	157.7	89%	0.893	78%	0.778	S	S	*	*				-150.8	151.1	129.8	-129.4	-27	0	0	0	111.4
410	Q	25.9	Very low	27.8	Very low	175 Å²	175	157.3 Å²	157.3	82%	0.818	78%	0.783	S	S	*	*			trans	-101.3	126.2	179.9	-65.7	-175.6	-8.9	0	0	110.4
411	D	30.2	Very low	27.6	Very low	154 Å²	154	152.9 Å²	152.9	82%	0.824	77%	0.769	S	S	*	*			trans	-171.3	124.3	137.2	-109.9	-29.3	0	0	0	112.9
412	N	31	Very low	27.6	Very low	165 Å²	165	154.3 Å²	154.3	88%	0.882	77%	0.773	S	S	*	*			trans	165.3	58.3	149	-98	-76.3	0	0	0	111.3
413	L	25.5	Very low	27.7	Very low	179 Å²	179	154.3 Å²	154.3	94%	0.937	77%	0.769	S	S	*	*			trans	-103.8	74.8	172.1	-105.5	172	0	0	0	111.1
414	R	27.5	Very low	27.9	Very low	212 Å²	212	151.6 Å²	151.6	80%	0.8	77%	0.769	S	S	*	*			trans	-142.5	97.6	166.9	-140.7	172.6	-176.6	-164.1	-2.7	113.3
415	F	25.9	Very low	28.3	Very low	182 Å²	182	154.7 Å²	154.7	80%	0.798	78%	0.775	S	S	*	*			trans	25.7	97.4	155.9	-64.8	-90.1	0	0	0	118.5
416	K	27.5	Very low	28.4	Very low	209 Å²	209	156.7 Å²	156.7	91%	0.909	78%	0.777	S	S	*	*			trans	-99.3	106.3	143.7	-83.6	-172.7	173.1	-179.2	0	109.2
417	F	27.1	Very low	28.7	Very low	174 Å²	174	157.4 Å²	157.4	76%	0.763	78%	0.782	S	S	*	*			trans	-119.2	161.9	160.9	-105.4	-94	0	0	0	108.8
418	N	29.8	Very low	28.9	Very low	111 Å²	111	155.7 Å²	155.7	59%	0.594	77%	0.772	S	S	*	*	S	Bend	trans	68.8	115.9	-173.3	-54.4	-10.4	0	0	0	115.1
419	H	31.8	Very low	29	Very low	120 Å²	120	159.6 Å²	159.6	56%	0.556	78%	0.783	S	S	*	*			cis	-154.4	109.3	-19.6	-127.1	-61.8	0	0	0	110.5	N421	H419-N421 PolarHBondContact CE1-OD1 3.29Å; H419-N421 VanDerWaalsContact CE1-OD1 3.25Å; H419-N421 VanDerWaalsContact ND1-CG 3.29Å; H419-N421 PolarHBondContact ND1-ND2 2.88Å; H419-N421 PolarHBondContact ND1-OD1 3.49Å; H419-N421 PolarHBondContact O-N 3.2Å
420	L	26	Very low	29.1	Very low	168 Å²	168	157.9 Å²	157.9	88%	0.88	77%	0.769	S	S	*	*			trans	-83.5	91.9	165.3	-91.3	166.3	0	0	0	108.8	V422	L420-V422 PolarHBondContact O-N 2.86Å
421	N	28.4	Very low	29.5	Very low	102 Å²	102	153.7 Å²	153.7	55%	0.545	75%	0.752	S	S	.	*			trans	-98.2	63.4	178.9	-80.6	-17.2	0	0	0	112.7	H419	H419-N421 PolarHBondContact CE1-OD1 3.29Å; H419-N421 VanDerWaalsContact CE1-OD1 3.25Å; H419-N421 VanDerWaalsContact ND1-CG 3.29Å; H419-N421 PolarHBondContact ND1-ND2 2.88Å; H419-N421 PolarHBondContact ND1-OD1 3.49Å; H419-N421 PolarHBondContact O-N 3.2Å
422	V	28	Very low	29.5	Very low	131 Å²	131	153.9 Å²	153.9	79%	0.794	75%	0.751	S	S	*	*			trans	-96.2	89.5	159.1	-178.2	0	0	0	0	107.6	L420	L420-V422 PolarHBondContact O-N 2.86Å
423	F	30.2	Very low	29.6	Very low	168 Å²	168	153.3 Å²	153.3	74%	0.737	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-102.3	131.1	174	-87.7	-82.6	0	0	0	110.9
424	P	30.2	Very low	29.7	Very low	119 Å²	119	154.8 Å²	154.8	77%	0.773	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-73.2	170.5	174.3	31.6	-35	0	0	0	112.3
425	E	33.5	Very low	29.7	Very low	153 Å²	153	150 Å²	150	72%	0.715	74%	0.739	S	S	*	*	S	Bend	trans	-67	150.3	-168.7	-65.3	-175.3	80.6	0	0	115.9
426	K	29.2	Very low	29.9	Very low	177 Å²	177	148.2 Å²	148.2	77%	0.77	74%	0.743	S	S	*	*			trans	44.8	93.6	146.5	-64	167	-174.8	135.5	0	117.4
427	L	29.8	Very low	29.9	Very low	166 Å²	166	141.3 Å²	141.3	87%	0.869	73%	0.732	S	S	*	*			trans	-123.3	137.3	143.3	-83.6	169.8	0	0	0	109.6
428	T	32.6	Very low	30.1	Very low	102 Å²	102	140.2 Å²	140.2	63%	0.626	73%	0.733	S	S	*	*			trans	-91.1	158.1	-174.2	23.7	0	0	0	0	112.4	H430 D431	T428-H430 PolarHBondContact O-N 2.82Å; T428-D431 WeakPolarHBondContact CB-OD2 3.34Å; T428-D431 PolarHBondContact N-OD2 3.01Å; T428-D431 PolarHBondContact O-N 3.25Å; T428-D431 VanDerWaalsContact O-OD2 3.1Å; T428-D431 PolarHBondContact OG1-OD2 3.46Å
429	F	27.9	Very low	30.2	Very low	217 Å²	217	142.9 Å²	142.9	95%	0.952	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	15.6	-176.9	-155.9	-100.5	0	0	0	114.2
430	H	33.3	Very low	30.1	Very low	132 Å²	132	146.1 Å²	146.1	61%	0.611	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	-11	-177.9	-145	-43.1	0	0	0	113.6	T428	T428-H430 PolarHBondContact O-N 2.82Å
431	D	33.1	Very low	30.3	Very low	86 Å²	86	145.2 Å²	145.2	46%	0.46	76%	0.756	S	S	.	*	G	3₁₀ helix	trans	-100.8	-2.6	-161.2	-53.7	-57.6	0	0	0	114	T428	T428-D431 WeakPolarHBondContact CB-OD2 3.34Å; T428-D431 PolarHBondContact N-OD2 3.01Å; T428-D431 PolarHBondContact O-N 3.25Å; T428-D431 VanDerWaalsContact O-OD2 3.1Å; T428-D431 PolarHBondContact OG1-OD2 3.46Å
432	I	31.4	Very low	30.3	Very low	158 Å²	158	145.8 Å²	145.8	81%	0.81	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-91.7	0.9	-177	-65.7	175.4	0	0	0	112.7
433	I	32.9	Very low	30.4	Very low	154 Å²	154	145.4 Å²	145.4	79%	0.79	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-114.3	16.1	-174.9	-51.8	-176	0	0	0	112.7
434	R	27.3	Very low	30.1	Very low	209 Å²	209	146.3 Å²	146.3	79%	0.789	77%	0.771	S	S	*	*	S	Bend	trans	-143.9	67.6	178.5	-66.1	-167.7	-175.3	118.1	-0.5	115.7
435	S	27.4	Very low	30.1	Very low	111 Å²	111	147.6 Å²	147.6	78%	0.776	77%	0.77	S	S	*	*	S	Bend	trans	-144.7	6.9	169.1	62.8	0	0	0	0	117.4
436	T	30.4	Very low	29.8	Very low	146 Å²	146	145.7 Å²	145.7	90%	0.896	77%	0.773	S	S	*	*			trans	-129.6	66.1	177.2	54.7	0	0	0	0	113.7
437	G	28.3	Very low	29.8	Very low	64 Å²	64	143.4 Å²	143.4	66%	0.66	77%	0.774	S	S	*	*			trans	-128.6	136	156.8	0	0	0	0	0	108.6
438	N	30.6	Very low	29.9	Very low	150 Å²	150	141 Å²	141	80%	0.802	77%	0.767	S	S	*	*			cis	-136.8	140.5	13.2	-61.7	-82.7	0	0	0	110.9
439	N	32.5	Very low	29.8	Very low	168 Å²	168	144 Å²	144	90%	0.898	78%	0.777	S	S	*	*				-156.2	131.4	126.1	-104.5	-32.4	0	0	0	112.1	N441	N439-N441 PolarHBondContact O-N 3.48Å
440	K	29.2	Very low	29.9	Very low	187 Å²	187	138.9 Å²	138.9	81%	0.813	76%	0.764	S	S	*	*			trans	-68	122.9	-169.7	-58.1	156	-175.6	174.2	0	110.6
441	N	29.6	Very low	29.8	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	77%	0.772	S	S	*	*				-173.9	124	123	-93.6	-10.7	0	0	0	113.7	N439	N439-N441 PolarHBondContact O-N 3.48Å
442	T	28.2	Very low	29.6	Very low	115 Å²	115	141 Å²	141	71%	0.706	79%	0.789	S	S	*	*			trans	65.3	122.4	140.8	-32.2	0	0	0	0	121.1
443	T	30	Very low	29.7	Very low	123 Å²	123	139.3 Å²	139.3	76%	0.755	79%	0.787	S	S	*	*			trans	61.5	120.6	158.6	39.6	0	0	0	0	119.7
444	M	24.6	Very low	29.7	Very low	187 Å²	187	138.4 Å²	138.4	92%	0.921	79%	0.789	S	S	*	*			trans	-74.4	138.1	165.2	-53.2	-164.9	-54.2	0	0	110.9
445	I	29.5	Very low	30	Very low	146 Å²	146	134.2 Å²	134.2	75%	0.749	79%	0.786	S	S	*	*			trans	-135	121.3	159.5	-60.9	-178.8	0	0	0	107	T447	I445-T447 PolarHBondContact O-N 2.95Å
446	S	27.3	Very low	30.3	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	79%	0.79	S	S	*	*			trans	-75.3	119	172.5	-59	0	0	0	0	109.6	T448	S446-T448 PolarHBondContact O-N 3.19Å
447	T	30.8	Very low	30.3	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	79%	0.785	S	S	*	*			trans	-82.9	81.6	-174.7	-23.3	0	0	0	0	112	I445 I449	I445-T447 PolarHBondContact O-N 2.95Å; T447-I449 PolarHBondContact O-N 2.91Å
448	T	31.2	Very low	30.7	Very low	117 Å²	117	137.7 Å²	137.7	72%	0.718	79%	0.79	S	S	*	*			trans	-65.4	124.3	163.7	-50.5	0	0	0	0	108.9	S446 T450	S446-T448 PolarHBondContact O-N 3.19Å; T448-T450 PolarHBondContact O-N 2.87Å; T448-T450 VanDerWaalsContact O-N 3.08Å
449	I	30.3	Very low	30.9	Very low	164 Å²	164	136.5 Å²	136.5	84%	0.841	79%	0.788	S	S	*	*			trans	-80.3	92.3	178.3	-57.2	177	0	0	0	108.7	T447	T447-I449 PolarHBondContact O-N 2.91Å
450	T	29.4	Very low	30.7	Very low	110 Å²	110	134.2 Å²	134.2	68%	0.675	78%	0.781	S	S	*	*			trans	-107.5	122.1	168.9	-52.6	0	0	0	0	109	T448 T452	T448-T450 PolarHBondContact O-N 2.87Å; T448-T450 VanDerWaalsContact O-N 3.08Å; T450-T452 PolarHBondContact O-N 3.26Å
451	T	31.2	Very low	31	Very low	126 Å²	126	131.5 Å²	131.5	77%	0.773	78%	0.78	S	S	*	*			trans	-62.9	118.4	178.4	44.1	0	0	0	0	111.8	T453	T451-T453 PolarHBondContact O-N 3.32Å
452	T	30.6	Very low	31.2	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	78%	0.777	S	S	*	*			trans	-83.3	102.4	176.1	27.5	0	0	0	0	111.8	T450 T454	T450-T452 PolarHBondContact O-N 3.26Å; T452-T454 PolarHBondContact O-N 3.32Å
453	T	32.7	Very low	31.5	Very low	124 Å²	124	130.8 Å²	130.8	76%	0.761	78%	0.776	S	S	*	*			trans	-70.5	117	163.4	44.3	0	0	0	0	110.4	T451 T455	T451-T453 PolarHBondContact O-N 3.32Å; T453-T455 PolarHBondContact O-N 2.79Å
454	T	32.6	Very low	31.7	Very low	135 Å²	135	131.6 Å²	131.6	83%	0.828	78%	0.776	S	S	*	*			trans	-81.7	103.6	177.3	29.1	0	0	0	0	112	T452	T452-T454 PolarHBondContact O-N 3.32Å
455	T	32.9	Very low	32.1	Very low	121 Å²	121	128.1 Å²	128.1	74%	0.742	77%	0.765	S	S	*	*			trans	-106.6	99	167.4	52.4	0	0	0	0	110.7	T453	T453-T455 PolarHBondContact O-N 2.79Å
456	T	34.8	Very low	32.3	Very low	138 Å²	138	126.9 Å²	126.9	85%	0.847	77%	0.765	S	S	*	*			trans	-79.7	120.5	172	30.9	0	0	0	0	111.4
457	T	29.9	Very low	32.5	Very low	130 Å²	130	126.7 Å²	126.7	80%	0.798	76%	0.759	S	S	*	*			trans	-115.4	111.8	176.1	48.5	0	0	0	0	111.7
458	T	36.3	Very low	32.6	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	77%	0.766	S	S	*	*			trans	-141	116.7	169.4	32.9	0	0	0	0	112.4
459	T	35.1	Very low	32.8	Very low	125 Å²	125	132.3 Å²	132.3	77%	0.767	76%	0.764	S	S	*	*			trans	52	90.3	147.4	55.4	0	0	0	0	119.7
460	T	29.6	Very low	33	Very low	120 Å²	120	132 Å²	132	74%	0.736	76%	0.764	S	S	*	*				26.3	115.3	116.9	-41.9	0	0	0	0	119.1
461	T	34.6	Very low	33.1	Very low	130 Å²	130	130.4 Å²	130.4	80%	0.798	77%	0.769	S	S	*	*				-170.3	136.8	117.2	14.9	0	0	0	0	114.6
462	N	33.3	Very low	33.1	Very low	136 Å²	136	132.1 Å²	132.1	73%	0.727	77%	0.774	S	S	*	*			trans	-8.3	140.3	155.5	-40.5	-20.3	0	0	0	117.1
463	T	34.3	Very low	33.1	Very low	114 Å²	114	128.9 Å²	128.9	70%	0.699	77%	0.767	S	S	*	*				-171.4	158.9	53.2	40.1	0	0	0	0	112.2
464	N	35.5	Very low	32.9	Very low	139 Å²	139	133.9 Å²	133.9	74%	0.743	77%	0.773	S	S	*	*			trans	44.3	141.3	134.8	-55	-3.1	0	0	0	121.1
465	T	33.2	Very low	32.9	Very low	114 Å²	114	136.7 Å²	136.7	70%	0.699	78%	0.777	S	S	*	*			cis	-167.7	167.1	6.7	6.8	0	0	0	0	112.5
466	T	33.6	Very low	33	Very low	120 Å²	120	136.1 Å²	136.1	74%	0.736	78%	0.778	S	S	*	*			trans	57.2	91.9	151.5	55.6	0	0	0	0	121.2
467	T	30	Very low	33.1	Very low	109 Å²	109	134.9 Å²	134.9	67%	0.669	78%	0.775	S	S	*	*				23.9	125.2	111.7	-40.1	0	0	0	0	120.2
468	Y	34.2	Very low	33.2	Very low	237 Å²	237	133.7 Å²	133.7	93%	0.929	76%	0.764	S	S	*	*				-153.3	161	129	-102.6	-69.9	0	0	0	110.4
469	N	35.8	Very low	33.2	Very low	127 Å²	127	131.8 Å²	131.8	68%	0.679	75%	0.753	S	S	*	*			trans	-107	158.3	-153.6	-73.7	-16.7	0	0	0	116.7
470	N	33.1	Very low	33.1	Very low	157 Å²	157	134 Å²	134	84%	0.84	75%	0.749	S	S	*	*			trans	66.1	109.4	150.1	-66.3	-0.9	0	0	0	120.3
471	G	32.3	Very low	33.6	Very low	76 Å²	76	133.8 Å²	133.8	78%	0.784	74%	0.742	S	S	*	*			trans	-152.8	115.5	150.7	0	0	0	0	0	109.2
472	N	30.1	Very low	33.6	Very low	163 Å²	163	133.7 Å²	133.7	87%	0.872	73%	0.734	S	S	*	*			trans	-70.5	133.4	-175.3	-76.5	-13.5	0	0	0	111.6
473	G	30.5	Very low	33.8	Very low	66 Å²	66	131.4 Å²	131.4	68%	0.68	72%	0.722	S	S	*	*			trans	-157.9	94.7	173.3	0	0	0	0	0	111.4	Q475	G473-Q475 PolarHBondContact O-N 2.8Å; G473-Q475 VanDerWaalsContact O-N 3.15Å
474	Y	29.3	Very low	34	Very low	229 Å²	229	131.4 Å²	131.4	90%	0.898	72%	0.718	S	S	*	*			trans	-68.7	106.7	172	-73	-89.4	0	0	0	109.4
475	Q	33.6	Very low	34.2	Very low	195 Å²	195	130.3 Å²	130.3	91%	0.911	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-84.7	120.8	165.5	-72.1	-171	-15.9	0	0	109.1	G473 S477	G473-Q475 PolarHBondContact O-N 2.8Å; G473-Q475 VanDerWaalsContact O-N 3.15Å; Q475-S477 PolarHBondContact O-N 2.83Å
476	S	33.8	Very low	34.6	Very low	108 Å²	108	130.5 Å²	130.5	76%	0.755	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-66.7	126	178	50	0	0	0	0	111.2	N478	S476-N478 PolarHBondContact O-N 3.09Å
477	S	36.3	Very low	34.9	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-58.3	123.2	164.6	49	0	0	0	0	109.5	Q475 P479	Q475-S477 PolarHBondContact O-N 2.83Å; S477-P479 WeakPolarHBondContact O-CD 3.24Å
478	N	32.3	Very low	35.3	Very low	105 Å²	105	128.8 Å²	128.8	56%	0.561	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-70.3	116.7	-169.4	-153	17.4	0	0	0	110.8	S476 Y480	S476-N478 PolarHBondContact O-N 3.09Å; N478-Y480 PolarHBondContact O-N 3.22Å; N478-Y480 WeakPolarHBondContact OD1-CD2 3.35Å
479	P	36	Very low	35.4	Very low	84 Å²	84	124.3 Å²	124.3	55%	0.545	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-73.4	-13.3	-171.6	29.2	-35.2	0	0	0	113.9	S477 I481	S477-P479 WeakPolarHBondContact O-CD 3.24Å; P479-I481 VanDerWaalsContact C-N 3.31Å; P479-I481 PolarHBondContact O-N 3.05Å
480	Y	34	Very low	35.5	Very low	173 Å²	173	121.7 Å²	121.7	68%	0.678	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-79.9	3.4	-168.9	-58.5	-73.3	0	0	0	116	N478	N478-Y480 PolarHBondContact O-N 3.22Å; N478-Y480 WeakPolarHBondContact OD1-CD2 3.35Å
481	I	39	Very low	36	Very low	114 Å²	114	119 Å²	119	59%	0.585	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-94.8	-15.9	-175.9	-63.7	176.1	0	0	0	112.9	P479	P479-I481 VanDerWaalsContact C-N 3.31Å; P479-I481 PolarHBondContact O-N 3.05Å
482	M	36.4	Very low	36.3	Very low	129 Å²	129	120.6 Å²	120.6	64%	0.635	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-34.4	177.7	-78.2	-63.9	-123.3	0	0	113.9	L485 L486	M482-L485 PolarHBondContact O-N 2.89Å; M482-L486 HydrophobicContact CB-CD1 4.38Å; M482-L486 WeakPolarHBondContact O-CB 3.45Å; M482-L486 WeakPolarHBondContact O-CG 3.27Å; M482-L486 PolarHBondContact O-N 2.96Å
483	N	37.6	Very low	36.7	Very low	88 Å²	88	118 Å²	118	47%	0.471	62%	0.622	S	S	.	*	H	α-helix	trans	-68.4	-48.9	-175.3	-68.3	36.6	0	0	0	111.8	L485 L486 E487	N483-L485 PolarHBondContact O-N 2.96Å; N483-L486 PolarHBondContact O-N 3.12Å; N483-L486 VanDerWaalsContact O-N 3.12Å; N483-E487 WeakPolarHBondContact O-CB 3.33Å; N483-E487 WeakPolarHBondContact O-CG 3.14Å; N483-E487 PolarHBondContact O-N 3.27Å
484	D	38.1	Very low	37.4	Very low	114 Å²	114	117.1 Å²	117.1	61%	0.61	60%	0.602	S	S	*	*	H	α-helix	trans	-57.3	-21.5	178.3	-82.4	-20.9	0	0	0	113.8	N488	D484-N488 PolarHBondContact O-ND2 3.31Å
485	L	38.4	Very low	38.2	Very low	115 Å²	115	109.4 Å²	109.4	60%	0.602	58%	0.582	S	S	*	*	H	α-helix	trans	-98.4	-30	177.9	-70.8	171.8	0	0	0	113.5	M482 N483	M482-L485 PolarHBondContact O-N 2.89Å; N483-L485 PolarHBondContact O-N 2.96Å
486	L	41.8	Very low	38.9	Very low	118 Å²	118	105.9 Å²	105.9	62%	0.618	57%	0.568	S	S	*	*	H	α-helix	trans	-86.3	-29.1	178.7	-72.5	168	0	0	0	113.3	M482 N483 S490	M482-L486 HydrophobicContact CB-CD1 4.38Å; M482-L486 WeakPolarHBondContact O-CB 3.45Å; M482-L486 WeakPolarHBondContact O-CG 3.27Å; M482-L486 PolarHBondContact O-N 2.96Å; N483-L486 PolarHBondContact O-N 3.12Å; N483-L486 VanDerWaalsContact O-N 3.12Å; L486-S490 PolarHBondContact O-OG 3.02Å
487	E	41.1	Very low	39.9	Very low	119 Å²	119	104.2 Å²	104.2	56%	0.556	55%	0.554	S	S	*	*	H	α-helix	trans	-84.1	-11.7	-179.5	-65.3	173.5	179.3	0	0	112.7	N483	N483-E487 WeakPolarHBondContact O-CB 3.33Å; N483-E487 WeakPolarHBondContact O-CG 3.14Å; N483-E487 PolarHBondContact O-N 3.27Å
488	N	38.4	Very low	41.4	Very low	75 Å²	75	100 Å²	100	40%	0.401	52%	0.521	S	S	.	.	H	α-helix	trans	-98.4	-28.6	-178.7	-83.9	-67.2	0	0	0	115.3	D484 Q492	D484-N488 PolarHBondContact O-ND2 3.31Å; N488-Q492 WeakPolarHBondContact O-CB 3.26Å; N488-Q492 WeakPolarHBondContact O-CG 3.11Å; N488-Q492 PolarHBondContact OD1-NE2 2.84Å
489	E	35.2	Very low	43.8	Very low	143 Å²	143	103.5 Å²	103.5	67%	0.668	53%	0.527	S	S	*	.	H	α-helix	trans	-78.1	-29.9	-179.9	-68.8	-159.3	125.5	0	0	113.3	I493	E489-I493 WeakPolarHBondContact O-CD1 3.4Å; E489-I493 WeakPolarHBondContact O-CG1 3.44Å
490	S	38.5	Very low	46.4	Very low	72 Å²	72	100.5 Å²	100.5	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-77.7	-45.1	-177.1	47.3	0	0	0	0	114.1	L486	L486-S490 PolarHBondContact O-OG 3.02Å
491	D	43.4	Very low	49.3	Very low	100 Å²	100	96.5 Å²	96.5	54%	0.535	49%	0.494	S	S	.	.	H	α-helix	trans	-85.5	-27.4	-174.7	-83.9	-57.4	0	0	0	113.7
492	Q	38.6	Very low	52.1	Low	109 Å²	109	91.5 Å²	91.5	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-78.8	-37.2	-178.8	-62.8	-165.8	35.7	0	0	113	N488 S495	N488-Q492 WeakPolarHBondContact O-CB 3.26Å; N488-Q492 WeakPolarHBondContact O-CG 3.11Å; N488-Q492 PolarHBondContact OD1-NE2 2.84Å; Q492-S495 PolarHBondContact O-N 2.86Å; Q492-S495 PolarHBondContact O-OG 3.44Å
493	I	38.5	Very low	55	Low	108 Å²	108	86.6 Å²	86.6	55%	0.554	45%	0.445	S	S	*	.	H	α-helix	trans	-70.6	-38.9	-176	-63.7	179.1	0	0	0	111.7	E489 S495 L496	E489-I493 WeakPolarHBondContact O-CD1 3.4Å; E489-I493 WeakPolarHBondContact O-CG1 3.44Å; I493-S495 PolarHBondContact O-N 2.92Å; I493-L496 PolarHBondContact O-N 3.01Å
494	D	46.3	Very low	57.7	Low	49 Å²	49	86 Å²	86	26%	0.262	44%	0.442	S	S	.	.	H	α-helix	trans	-61.5	-24.6	175.4	-112.9	40.7	0	0	0	112.4	Q498 R632	D494-Q498 PolarHBondContact O-NE2 2.91Å; D494-R632 IonicContact OD1-CZ 2.62Å; D494-R632 IonicContact OD1-NH1 3.96Å; D494-R632 PolarHBondContact OD1-NH1 3.36Å; D494-R632 IonicContact OD2-CZ 3.9Å; D494-R632 IonicContact OD2-NE 2.72Å; D494-R632 IonicContact OD2-NH1 3.94Å; D494-R632 PolarHBondContact OD2-NH1 2.75Å
495	S	46	Very low	60.5	Low	66 Å²	66	81.7 Å²	81.7	46%	0.462	42%	0.42	S	S	.	.	H	α-helix	trans	-80.7	-29.6	-177.4	81	0	0	0	0	114.6	Q492 I493	Q492-S495 PolarHBondContact O-N 2.86Å; Q492-S495 PolarHBondContact O-OG 3.44Å; I493-S495 PolarHBondContact O-N 2.92Å
496	L	47.3	Very low	63.3	Low	121 Å²	121	82.3 Å²	82.3	63%	0.634	42%	0.424	S	S	*	.	H	α-helix	trans	-87.2	-12.7	-166.9	-87.8	161.9	0	0	0	114.9	I493	I493-L496 PolarHBondContact O-N 3.01Å
497	V	54.9	Low	66	Low	74 Å²	74	78.5 Å²	78.5	45%	0.448	41%	0.405	S	S	.	.	H	α-helix	trans	-107.1	-23.4	-171.2	-165.1	0	0	0	0	112.8	R499	V497-R499 PolarHBondContact O-N 3.49Å
498	Q	68.5	Low	68.7	Low	24 Å²	24	72.9 Å²	72.9	11%	0.112	38%	0.378	C	S	.	.			trans	-70.5	112.5	-175.1	-65.5	-177	52.9	0	0	112.3	D494 T536 L538 F647	D494-Q498 PolarHBondContact O-NE2 2.91Å; Q498-T536 WeakPolarHBondContact CA-O 3.4Å; Q498-L538 HydrophobicContact CG-CD2 4.22Å; Q498-F647 HydrophobicContact CB-CZ 4.49Å
499	R	81.2	Confident	71.6	Confident	178 Å²	178	74.2 Å²	74.2	67%	0.672	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.4	170.1	-59.1	-172.7	-174.4	92.7	0.5	110.6	V497 V535 T536	V497-R499 PolarHBondContact O-N 3.49Å; R499-V535 CarbonylContact O-C 3.57Å; R499-T536 PolarHBondContact N-O 3.43Å; R499-T536 PolarHBondContact O-N 3.06Å; R499-T536 PolarHBondContact O-OG1 3.03Å
500	T	91.4	Very high	74.5	Confident	21 Å²	21	72.2 Å²	72.2	13%	0.129	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	130.7	174.2	-55.2	0	0	0	0	110	V533 R534 V535 F628 F647 F649	T500-V533 HydrophobicContact CG2-CB 3.77Å; T500-V533 HydrophobicContact CG2-CG1 3.98Å; T500-V533 HydrophobicContact CG2-CG2 4.22Å; T500-R534 CarbonylContact C-O 3.56Å; T500-R534 WeakPolarHBondContact CA-O 3.08Å; T500-V535 HydrophobicContact CG2-CG2 4.08Å; T500-F628 HydrophobicContact CG2-CD1 3.81Å; T500-F628 HydrophobicContact CG2-CE1 3.72Å; T500-F647 HydrophobicContact CG2-CG 4.33Å; T500-F647 WeakPolarHBondContact OG1-CE1 3.41Å; T500-F647 VanDerWaalsContact OG1-CE2 3.28Å; T500-F647 WeakPolarHBondContact OG1-CE2 3.48Å; T500-F647 WeakPolarHBondContact OG1-CZ 3.38Å; T500-F649 HydrophobicContact CG2-CE2 4.37Å; T500-F649 HydrophobicContact CG2-CZ 3.92Å
501	E	95	Very high	77.4	Confident	89 Å²	89	68.8 Å²	68.8	42%	0.416	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.9	-177.1	-177.3	-166.8	161.9	0	0	110.3	L503 V533 R534	E501-L503 PolarHBondContact O-N 2.88Å; E501-V533 CarbonylContact O-C 3.53Å; E501-V533 VanDerWaalsContact O-CA 3.26Å; E501-V533 WeakPolarHBondContact O-CA 3.49Å; E501-R534 HydrophobicContact CB-CB 4.42Å; E501-R534 PolarHBondContact N-O 3.22Å; E501-R534 PolarHBondContact O-N 3.45Å; E501-R534 IonicContact OE1-CZ 3.46Å; E501-R534 IonicContact OE1-NH2 3.7Å; E501-R534 PolarHBondContact OE1-NH2 3.06Å; E501-R534 IonicContact OE2-CZ 2.8Å; E501-R534 IonicContact OE2-NE 3.77Å; E501-R534 PolarHBondContact OE2-NE 2.84Å; E501-R534 IonicContact OE2-NH2 2.65Å; E501-R534 PolarHBondContact OE2-NH2 3.49Å
502	L	97.3	Very high	80	Confident	9 Å²	9	67.4 Å²	67.4	5%	0.047	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.6	172.1	179.8	70.7	0	0	0	110.2	S505 W508 F531 F649 E651 T652	L502-S505 WeakPolarHBondContact O-CB 3.24Å; L502-W508 HydrophobicContact CD2-CB 4.17Å; L502-W508 HydrophobicContact CD2-CG 4Å; L502-F531 HydrophobicContact CD1-CE2 4.32Å; L502-F649 HydrophobicContact CB-CD1 3.77Å; L502-F649 HydrophobicContact CB-CD2 4.3Å; L502-F649 HydrophobicContact CB-CE1 3.92Å; L502-F649 HydrophobicContact CB-CE2 4.44Å; L502-F649 HydrophobicContact CB-CG 3.97Å; L502-F649 HydrophobicContact CB-CZ 4.26Å; L502-F649 HydrophobicContact CD1-CD2 4.36Å; L502-F649 HydrophobicContact CD2-CB 4.06Å; L502-F649 HydrophobicContact CD2-CG 4.31Å; L502-F649 HydrophobicContact CG-CG 4.5Å; L502-E651 HydrophobicContact CD2-CG 3.58Å; L502-T652 HydrophobicContact CD1-CG2 3.91Å; L502-T652 HydrophobicContact CD2-CG2 3.55Å; L502-T652 HydrophobicContact CG-CG2 4.41Å
503	L	96.8	Very high	82.8	Confident	26 Å²	26	66.2 Å²	66.2	14%	0.136	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	152.1	175.4	-58.7	179.7	0	0	0	111	E501 S505 K532 R534 P596	E501-L503 PolarHBondContact O-N 2.88Å; L503-S505 PolarHBondContact O-N 2.88Å; L503-K532 HydrophobicContact CB-CB 4.06Å; L503-K532 HydrophobicContact CD1-CB 4.38Å; L503-K532 PolarHBondContact N-O 3.27Å; L503-R534 HydrophobicContact CD1-CB 4.36Å; L503-R534 HydrophobicContact CD2-CB 4.01Å; L503-R534 HydrophobicContact CG-CB 4.29Å; L503-P596 HydrophobicContact CD1-CB 3.57Å; L503-P596 HydrophobicContact CD1-CG 3.77Å
504	D	95.6	Very high	85.6	Confident	77 Å²	77	62.9 Å²	62.9	41%	0.412	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	26.2	-170.4	-46.7	-37	0	0	0	113.1	D506 L507 W508 K532	D504-D506 VanDerWaalsContact C-N 3.26Å; D504-D506 PolarHBondContact O-N 2.92Å; D504-L507 HydrophobicContact CB-CB 4.36Å; D504-L507 WeakPolarHBondContact O-CA 3.37Å; D504-L507 WeakPolarHBondContact O-CB 3.13Å; D504-L507 PolarHBondContact O-N 3.31Å; D504-W508 PolarHBondContact O-N 3.25Å; D504-W508 VanDerWaalsContact O-N 3.08Å; D504-K532 IonicContact OD1-NZ 3.47Å; D504-K532 IonicContact OD2-NZ 3.78Å; D504-K532 PolarHBondContact OD2-NZ 2.78Å
505	S	96.4	Very high	88	Confident	22 Å²	22	63 Å²	63	15%	0.154	33%	0.326	C	S	.	.	H	α-helix	trans	-53.6	-35.9	-176.4	166.8	0	0	0	0	113.6	L502 L503 L507 W508 K509 E651	L502-S505 WeakPolarHBondContact O-CB 3.24Å; L503-S505 PolarHBondContact O-N 2.88Å; S505-L507 VanDerWaalsContact C-N 3.32Å; S505-L507 PolarHBondContact O-N 3.22Å; S505-W508 WeakPolarHBondContact O-CB 3.4Å; S505-W508 PolarHBondContact O-N 3.31Å; S505-K509 WeakPolarHBondContact O-CB 3.42Å; S505-K509 VanDerWaalsContact O-CG 3.32Å; S505-K509 WeakPolarHBondContact O-CG 3.29Å; S505-K509 PolarHBondContact O-N 3.38Å; S505-K509 WeakPolarHBondContact OG-CE 3.47Å; S505-K509 PolarHBondContact OG-NZ 3.35Å; S505-E651 PolarHBondContact OG-OE1 3.28Å
506	D	97.5	Very high	90.5	Very high	128 Å²	128	59.9 Å²	59.9	68%	0.684	30%	0.304	S	S	*	.	H	α-helix	trans	-65.8	-34.2	176.2	-61.1	-35.8	0	0	0	112.8	D504 H510	D504-D506 VanDerWaalsContact C-N 3.26Å; D504-D506 PolarHBondContact O-N 2.92Å; D506-H510 WeakPolarHBondContact O-CB 3.48Å; D506-H510 PolarHBondContact O-N 3.31Å
507	L	97.9	Very high	93	Very high	39 Å²	39	54.1 Å²	54.1	20%	0.204	27%	0.274	C	S	.	.	H	α-helix	trans	-69.8	-41	172.8	-179.3	63	0	0	0	110.6	D504 S505 H510 F511 F528 P529 N672	D504-L507 HydrophobicContact CB-CB 4.36Å; D504-L507 WeakPolarHBondContact O-CA 3.37Å; D504-L507 WeakPolarHBondContact O-CB 3.13Å; D504-L507 PolarHBondContact O-N 3.31Å; S505-L507 VanDerWaalsContact C-N 3.32Å; S505-L507 PolarHBondContact O-N 3.22Å; L507-H510 PolarHBondContact O-N 3.46Å; L507-F511 HydrophobicContact CD1-CD2 4.1Å; L507-F511 HydrophobicContact CD1-CE2 3.85Å; L507-F511 HydrophobicContact CG-CD2 4.16Å; L507-F511 HydrophobicContact CG-CE2 4.12Å; L507-F511 WeakPolarHBondContact O-CD2 3.34Å; L507-F511 PolarHBondContact O-N 2.76Å; L507-F528 HydrophobicContact CD2-CZ 4.28Å; L507-P529 HydrophobicContact CD2-CB 4.21Å; L507-P529 HydrophobicContact CD2-CG 4.05Å; L507-P529 HydrophobicContact CG-CG 3.94Å; L507-N672 HydrophobicContact CD1-CB 3.98Å; L507-N672 HydrophobicContact CD2-CB 4.3Å
508	W	98.4	Very high	95	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-51.4	173	-79.7	105.2	0	0	0	112	L502 D504 S505 H510 F511 H512 M518 P529 F531 E651 T652	L502-W508 HydrophobicContact CD2-CB 4.17Å; L502-W508 HydrophobicContact CD2-CG 4Å; D504-W508 PolarHBondContact O-N 3.25Å; D504-W508 VanDerWaalsContact O-N 3.08Å; S505-W508 WeakPolarHBondContact O-CB 3.4Å; S505-W508 PolarHBondContact O-N 3.31Å; W508-H510 VanDerWaalsContact C-N 3.26Å; W508-H510 PolarHBondContact O-N 3.3Å; W508-F511 WeakPolarHBondContact O-CB 3.27Å; W508-F511 PolarHBondContact O-N 3.41Å; W508-F511 VanDerWaalsContact O-N 3.09Å; W508-H512 WeakPolarHBondContact O-CB 3.46Å; W508-H512 PolarHBondContact O-N 3.45Å; W508-M518 HydrophobicContact CH2-CE 3.54Å; W508-M518 HydrophobicContact CZ3-CE 3.63Å; W508-P529 HydrophobicContact CD2-CB 4.03Å; W508-P529 HydrophobicContact CD2-CG 4.12Å; W508-P529 HydrophobicContact CE3-CG 4.36Å; W508-P529 HydrophobicContact CG-CB 4.43Å; W508-P529 HydrophobicContact CG-CG 4.48Å; W508-P529 WeakPolarHBondContact CH2-O 3.43Å; W508-P529 HydrophobicContact CZ2-CB 3.95Å; W508-P529 VanDerWaalsContact CZ2-O 3.29Å; W508-P529 WeakPolarHBondContact CZ2-O 3.49Å; W508-F531 HydrophobicContact CZ2-CB 4.31Å; W508-F531 HydrophobicContact CZ2-CD2 4.4Å; W508-E651 HydrophobicContact CB-CB 4.43Å; W508-E651 HydrophobicContact CB-CG 3.77Å; W508-T652 HydrophobicContact CD2-CG2 3.83Å; W508-T652 HydrophobicContact CE3-CG2 3.89Å; W508-T652 HydrophobicContact CG-CG2 4.28Å; W508-T652 HydrophobicContact CH2-CG2 4.4Å; W508-T652 HydrophobicContact CZ2-CG2 4.37Å; W508-T652 HydrophobicContact CZ3-CG2 4.17Å
509	K	98.2	Very high	96.5	Very high	103 Å²	103	50.5 Å²	50.5	45%	0.448	25%	0.254	S	S	.	.	H	α-helix	trans	-55.3	-40.3	174.5	-72.6	160.8	177.8	150.3	0	112.2	S505 H512 S513 E651	S505-K509 WeakPolarHBondContact O-CB 3.42Å; S505-K509 VanDerWaalsContact O-CG 3.32Å; S505-K509 WeakPolarHBondContact O-CG 3.29Å; S505-K509 PolarHBondContact O-N 3.38Å; S505-K509 WeakPolarHBondContact OG-CE 3.47Å; S505-K509 PolarHBondContact OG-NZ 3.35Å; K509-H512 PolarHBondContact O-N 3.01Å; K509-S513 WeakPolarHBondContact O-CB 3.4Å; K509-S513 PolarHBondContact O-N 3.16Å; K509-E651 WeakPolarHBondContact CE-OE1 3.4Å; K509-E651 HydrophobicContact CG-CB 3.84Å; K509-E651 HydrophobicContact CG-CG 4.09Å; K509-E651 IonicContact NZ-OE1 3.15Å
510	H	97.8	Very high	97.2	Very high	101 Å²	101	42.1 Å²	42.1	47%	0.468	22%	0.222	S	C	.	.	H	α-helix	trans	-68.3	-37.4	177.5	-162.8	85.6	0	0	0	112.6	D506 L507 W508 S513 L668	D506-H510 WeakPolarHBondContact O-CB 3.48Å; D506-H510 PolarHBondContact O-N 3.31Å; L507-H510 PolarHBondContact O-N 3.46Å; W508-H510 VanDerWaalsContact C-N 3.26Å; W508-H510 PolarHBondContact O-N 3.3Å; H510-S513 PolarHBondContact O-OG 3.06Å; H510-L668 WeakPolarHBondContact CD2-CD1 3.4Å
511	F	98.4	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-47.7	167.8	-89.3	-76.8	0	0	0	112.4	L507 W508 S513 M514 T515 T516 F528 P529 I665 L668 K669	L507-F511 HydrophobicContact CD1-CD2 4.1Å; L507-F511 HydrophobicContact CD1-CE2 3.85Å; L507-F511 HydrophobicContact CG-CD2 4.16Å; L507-F511 HydrophobicContact CG-CE2 4.12Å; L507-F511 WeakPolarHBondContact O-CD2 3.34Å; L507-F511 PolarHBondContact O-N 2.76Å; W508-F511 WeakPolarHBondContact O-CB 3.27Å; W508-F511 PolarHBondContact O-N 3.41Å; W508-F511 VanDerWaalsContact O-N 3.09Å; F511-S513 VanDerWaalsContact C-N 3.29Å; F511-S513 PolarHBondContact O-N 3.17Å; F511-M514 PolarHBondContact O-N 2.6Å; F511-M514 VanDerWaalsContact O-N 3.08Å; F511-T515 PolarHBondContact O-N 3.44Å; F511-T516 HydrophobicContact CB-CG2 4.12Å; F511-T516 PolarHBondContact O-N 3.39Å; F511-F528 HydrophobicContact CE2-CD1 4.33Å; F511-F528 AromaticContact CE2-CE1 3.9Å; F511-F528 HydrophobicContact CE2-CE1 3.9Å; F511-F528 HydrophobicContact CZ-CD1 4.14Å; F511-F528 AromaticContact CZ-CE1 3.94Å; F511-F528 HydrophobicContact CZ-CE1 3.94Å; F511-P529 HydrophobicContact CD2-CG 3.35Å; F511-P529 HydrophobicContact CE2-CG 3.59Å; F511-P529 HydrophobicContact CG-CG 4.24Å; F511-I665 HydrophobicContact CD1-CD1 3.93Å; F511-I665 HydrophobicContact CD1-CG2 4.34Å; F511-I665 HydrophobicContact CE1-CG2 4.2Å; F511-L668 HydrophobicContact CB-CD2 4.32Å; F511-L668 HydrophobicContact CD1-CD2 3.52Å; F511-L668 HydrophobicContact CD1-CG 4.3Å; F511-L668 HydrophobicContact CD2-CD2 3.72Å; F511-L668 HydrophobicContact CD2-CG 4.33Å; F511-L668 HydrophobicContact CE1-CB 3.97Å; F511-L668 HydrophobicContact CE1-CD2 3.52Å; F511-L668 HydrophobicContact CE1-CG 3.78Å; F511-L668 HydrophobicContact CE2-CD2 3.75Å; F511-L668 HydrophobicContact CE2-CG 3.85Å; F511-L668 HydrophobicContact CG-CD2 3.6Å; F511-L668 HydrophobicContact CZ-CB 4.02Å; F511-L668 HydrophobicContact CZ-CD2 3.64Å; F511-L668 HydrophobicContact CZ-CG 3.53Å; F511-K669 HydrophobicContact CD1-CD 4.49Å; F511-K669 HydrophobicContact CE1-CD 3.46Å; F511-K669 VanDerWaalsContact CE1-CD 3.46Å; F511-K669 HydrophobicContact CE1-CG 3.83Å; F511-K669 HydrophobicContact CZ-CD 3.66Å; F511-K669 HydrophobicContact CZ-CG 4.1Å
512	H	98.1	Very high	97.5	Very high	72 Å²	72	40.7 Å²	40.7	33%	0.333	22%	0.216	S	C	.	.	H	α-helix	trans	-58.8	-39	-178.2	-173.8	91.3	0	0	0	112.1	W508 K509 M514 T515 T516 D650 E651	W508-H512 WeakPolarHBondContact O-CB 3.46Å; W508-H512 PolarHBondContact O-N 3.45Å; K509-H512 PolarHBondContact O-N 3.01Å; H512-M514 PolarHBondContact O-N 3.41Å; H512-T515 PolarHBondContact O-N 2.8Å; H512-T516 WeakPolarHBondContact CA-OG1 3.44Å; H512-T516 PolarHBondContact N-OG1 2.8Å; H512-D650 PolarHBondContact CE1-O 3.14Å; H512-D650 PolarHBondContact ND1-O 2.97Å; H512-E651 HydrophobicContact CB-CB 4.42Å
513	S	97.6	Very high	97.3	Very high	84 Å²	84	44.1 Å²	44.1	59%	0.587	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-18.4	176.1	78.6	0	0	0	0	115.1	K509 H510 F511	K509-S513 WeakPolarHBondContact O-CB 3.4Å; K509-S513 PolarHBondContact O-N 3.16Å; H510-S513 PolarHBondContact O-OG 3.06Å; F511-S513 VanDerWaalsContact C-N 3.29Å; F511-S513 PolarHBondContact O-N 3.17Å
514	M	96.1	Very high	97.2	Very high	38 Å²	38	43.3 Å²	43.3	19%	0.187	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	14.7	178.5	-70	-176.7	-77	0	0	113	F511 H512 N662 R664 I665 L668	F511-M514 PolarHBondContact O-N 2.6Å; F511-M514 VanDerWaalsContact O-N 3.08Å; H512-M514 PolarHBondContact O-N 3.41Å; M514-N662 PolarHBondContact O-ND2 3.19Å; M514-N662 VanDerWaalsContact O-ND2 3.16Å; M514-R664 HydrophobicContact SD-CB 3.61Å; M514-R664 HydrophobicContact SD-CG 4.43Å; M514-I665 HydrophobicContact CB-CD1 3.7Å; M514-I665 HydrophobicContact CB-CG1 4.24Å; M514-L668 HydrophobicContact CE-CD2 3.75Å
515	T	97.8	Very high	97.2	Very high	51 Å²	51	46 Å²	46	31%	0.313	24%	0.243	S	C	.	.			trans	60.6	104.9	-166.2	-47.8	0	0	0	0	111.9	F511 H512 E517 W565 I655 I665	F511-T515 PolarHBondContact O-N 3.44Å; H512-T515 PolarHBondContact O-N 2.8Å; T515-E517 PolarHBondContact O-N 3.23Å; T515-W565 HydrophobicContact CG2-CG 4.25Å; T515-I655 HydrophobicContact CG2-CD1 3.77Å; T515-I655 HydrophobicContact CG2-CG1 4.17Å; T515-I665 VanDerWaalsContact O-CD1 3.3Å; T515-I665 WeakPolarHBondContact O-CD1 3.22Å
516	T	98.6	Very high	97.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	130.5	-178.8	-49.1	0	0	0	0	111	F511 H512 M518 E653 F654 I655	F511-T516 HydrophobicContact CB-CG2 4.12Å; F511-T516 PolarHBondContact O-N 3.39Å; H512-T516 WeakPolarHBondContact CA-OG1 3.44Å; H512-T516 PolarHBondContact N-OG1 2.8Å; T516-M518 HydrophobicContact CG2-CE 4.09Å; T516-E653 VanDerWaalsContact CB-O 3.27Å; T516-E653 WeakPolarHBondContact CB-O 3.19Å; T516-E653 PolarHBondContact OG1-O 2.86Å; T516-F654 HydrophobicContact CG2-CB 3.77Å; T516-F654 CarbonylContact O-C 3.57Å; T516-F654 WeakPolarHBondContact O-CA 3.29Å; T516-F654 WeakPolarHBondContact O-CB 3.47Å; T516-I655 PolarHBondContact O-N 2.65Å
517	E	98.8	Very high	97.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.7	170.4	-55.8	175.1	-171.2	0	0	110.1	T515 W565 I655 V657 Y660 Q661 N662 I665 K669	T515-E517 PolarHBondContact O-N 3.23Å; E517-W565 HydrophobicContact CG-CZ2 4Å; E517-I655 WeakPolarHBondContact CA-O 3.27Å; E517-V657 HydrophobicContact CB-CG2 4.13Å; E517-Y660 HydrophobicContact CB-CD1 4.05Å; E517-Y660 HydrophobicContact CB-CE1 4.45Å; E517-Y660 WeakPolarHBondContact OE2-CA 3.35Å; E517-Y660 WeakPolarHBondContact OE2-CB 3.36Å; E517-Y660 WeakPolarHBondContact OE2-CD1 3.41Å; E517-Q661 PolarHBondContact OE2-N 2.95Å; E517-N662 WeakPolarHBondContact OE1-CB 3.42Å; E517-N662 PolarHBondContact OE1-N 2.9Å; E517-I665 HydrophobicContact CB-CG2 3.98Å; E517-I665 HydrophobicContact CG-CG1 4.39Å; E517-I665 HydrophobicContact CG-CG2 4.16Å; E517-K669 WeakPolarHBondContact O-CE 3.46Å; E517-K669 PolarHBondContact O-NZ 2.85Å
518	M	98.6	Very high	97.2	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.4	170.7	-65.4	-67.2	-172.5	0	0	110.2	W508 T516 M527 F528 L604 F654 I655 V657	W508-M518 HydrophobicContact CH2-CE 3.54Å; W508-M518 HydrophobicContact CZ3-CE 3.63Å; T516-M518 HydrophobicContact CG2-CE 4.09Å; M518-M527 HydrophobicContact CE-CB 4.14Å; M518-M527 HydrophobicContact CE-CG 4.46Å; M518-M527 HydrophobicContact SD-CB 4.15Å; M518-M527 HydrophobicContact SD-CG 4.38Å; M518-F528 VanDerWaalsContact SD-O 3.39Å; M518-L604 HydrophobicContact CB-CD1 3.72Å; M518-L604 HydrophobicContact CG-CD1 4.28Å; M518-F654 HydrophobicContact CB-CD2 3.5Å; M518-F654 HydrophobicContact CB-CE2 3.72Å; M518-F654 HydrophobicContact CB-CG 4.16Å; M518-F654 HydrophobicContact CG-CB 3.91Å; M518-F654 HydrophobicContact CG-CD1 4.07Å; M518-F654 HydrophobicContact CG-CD2 3.41Å; M518-F654 VanDerWaalsContact CG-CD2 3.41Å; M518-F654 HydrophobicContact CG-CE1 4.46Å; M518-F654 HydrophobicContact CG-CE2 3.87Å; M518-F654 HydrophobicContact CG-CG 3.52Å; M518-F654 HydrophobicContact CG-CZ 4.37Å; M518-I655 PolarHBondContact N-O 3.22Å; M518-V657 PolarHBondContact O-N 2.81Å
519	V	98.4	Very high	97.2	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.109	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130	178.3	170.8	0	0	0	0	110.5	T521 R525 V657 Y660	V519-T521 HydrophobicContact CG1-CG2 4.08Å; V519-R525 HydrophobicContact CB-CG 4.3Å; V519-R525 HydrophobicContact CG1-CG 4.22Å; V519-R525 WeakPolarHBondContact O-CB 3.42Å; V519-R525 VanDerWaalsContact O-CG 3.24Å; V519-R525 WeakPolarHBondContact O-CG 3.14Å; V519-V657 CarbonylContact C-O 3.53Å; V519-V657 WeakPolarHBondContact CA-O 3.36Å; V519-V657 HydrophobicContact CG2-CG2 4.2Å; V519-Y660 HydrophobicContact CG2-CD1 3.79Å; V519-Y660 HydrophobicContact CG2-CD2 4.39Å; V519-Y660 HydrophobicContact CG2-CE1 3.46Å; V519-Y660 VanDerWaalsContact CG2-CE1 3.46Å; V519-Y660 HydrophobicContact CG2-CE2 4.1Å; V519-Y660 HydrophobicContact CG2-CG 4.23Å
520	I	97.4	Very high	97.2	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.216	C	C	.	.			trans	-108.3	153.5	170.7	71.6	-176	0	0	0	110.1	L604 N606 L618 A656 V657 T658	I520-L604 HydrophobicContact CG2-CB 3.78Å; I520-L604 HydrophobicContact CG2-CD1 4.48Å; I520-N606 HydrophobicContact CD1-CB 3.82Å; I520-N606 HydrophobicContact CG1-CB 4.14Å; I520-L618 HydrophobicContact CG2-CD1 4.46Å; I520-A656 HydrophobicContact CD1-CB 4.32Å; I520-A656 HydrophobicContact CG2-CB 3.96Å; I520-V657 PolarHBondContact N-O 3.22Å; I520-T658 HydrophobicContact CG1-CG2 4.29Å
521	T	96.6	Very high	97.2	Very high	38 Å²	38	37.2 Å²	37.2	23%	0.233	19%	0.194	C	C	.	.			trans	-157.8	150.3	-177.8	56.8	0	0	0	0	111.5	V519 S523 G524 R525 T605	V519-T521 HydrophobicContact CG1-CG2 4.08Å; T521-S523 PolarHBondContact O-N 3.13Å; T521-G524 WeakPolarHBondContact O-CA 3.21Å; T521-G524 PolarHBondContact O-N 2.8Å; T521-R525 HydrophobicContact CG2-CB 4.45Å; T521-T605 PolarHBondContact O-OG1 2.87Å
522	K	94.5	Very high	97.1	Very high	43 Å²	43	40 Å²	40	19%	0.187	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-11.5	-177.6	-171.4	154.2	-176	173.4	0	116.2	D64 N606 N607	D64-K522 IonicContact OD1-NZ 3.25Å; D64-K522 PolarHBondContact OD1-NZ 2.68Å; D64-K522 IonicContact OD2-NZ 3.92Å; D64-K522 PolarHBondContact OD2-NZ 3.01Å; K522-N606 WeakPolarHBondContact CA-OD1 3.34Å; K522-N606 PolarHBondContact N-OD1 2.97Å; K522-N607 HydrophobicContact CG-CB 4.06Å
523	S	93.4	Very high	97.1	Very high	81 Å²	81	36.6 Å²	36.6	57%	0.566	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	7.8	173.8	61.2	0	0	0	0	114.8	T521 K603	T521-S523 PolarHBondContact O-N 3.13Å; S523-K603 PolarHBondContact O-NZ 2.71Å
524	G	94.4	Very high	97.1	Very high	9 Å²	9	38 Å²	38	9%	0.093	18%	0.182	C	C	.	.			trans	74.4	126.5	178.5	0	0	0	0	0	115.6	T521 K603 L604 Q615	T521-G524 WeakPolarHBondContact O-CA 3.21Å; T521-G524 PolarHBondContact O-N 2.8Å; G524-K603 WeakPolarHBondContact O-CD 3.25Å; G524-K603 VanDerWaalsContact O-CE 3.24Å; G524-K603 WeakPolarHBondContact O-CE 3.37Å; G524-K603 WeakPolarHBondContact O-CG 3.27Å; G524-L604 CarbonylContact C-O 3.47Å; G524-L604 WeakPolarHBondContact CA-O 3.22Å; G524-Q615 VanDerWaalsContact CA-OE1 3.29Å
525	R	96.8	Very high	97	Very high	133 Å²	133	36.3 Å²	36.3	50%	0.502	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131	-174.7	-173.2	71.6	-174.4	171.3	3.5	112.1	V519 T521 K603 L604	V519-R525 HydrophobicContact CB-CG 4.3Å; V519-R525 HydrophobicContact CG1-CG 4.22Å; V519-R525 WeakPolarHBondContact O-CB 3.42Å; V519-R525 VanDerWaalsContact O-CG 3.24Å; V519-R525 WeakPolarHBondContact O-CG 3.14Å; T521-R525 HydrophobicContact CG2-CB 4.45Å; R525-K603 CarbonylContact O-C 3.49Å; R525-K603 WeakPolarHBondContact O-CA 3.24Å; R525-L604 PolarHBondContact N-O 2.82Å; R525-L604 PolarHBondContact O-N 2.96Å
526	R	96.9	Very high	96.9	Very high	138 Å²	138	36.7 Å²	36.7	52%	0.521	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140.9	176.5	-71.6	177.2	174.4	176.3	-1.1	112	H600 K603	R526-H600 WeakPolarHBondContact CD-O 3.45Å; R526-H600 WeakPolarHBondContact CG-O 3.39Å; R526-H600 PolarHBondContact NE-O 3.2Å; R526-H600 VanDerWaalsContact NE-O 3.14Å; R526-K603 HydrophobicContact CG-CG 4.44Å
527	M	97.6	Very high	96.6	Very high	12 Å²	12	38 Å²	38	6%	0.059	19%	0.189	C	C	.	.			trans	-60.4	145.9	173.1	-67.3	-176	-70.7	0	0	112.2	M518 P529 F531 L548 I550 L602 L604	M518-M527 HydrophobicContact CE-CB 4.14Å; M518-M527 HydrophobicContact CE-CG 4.46Å; M518-M527 HydrophobicContact SD-CB 4.15Å; M518-M527 HydrophobicContact SD-CG 4.38Å; M527-P529 CarbonylContact C-O 3.59Å; M527-F531 HydrophobicContact CE-CB 3.9Å; M527-L548 HydrophobicContact CE-CD2 4.02Å; M527-I550 HydrophobicContact SD-CD1 4.4Å; M527-L602 HydrophobicContact CE-CD2 3.96Å; M527-L602 HydrophobicContact CE-CG 4.46Å; M527-L604 HydrophobicContact CG-CD1 3.86Å; M527-L604 HydrophobicContact CG-CD2 4.13Å; M527-L604 HydrophobicContact CG-CG 3.97Å; M527-L604 HydrophobicContact SD-CD2 4.36Å
528	F	98.1	Very high	96.4	Very high	26 Å²	26	38.5 Å²	38.5	11%	0.114	19%	0.192	C	C	.	.	S	Bend	trans	-145.8	122.7	164.8	-174.4	-89.7	0	0	0	110.3	L507 F511 M518 K669 N672 N673	L507-F528 HydrophobicContact CD2-CZ 4.28Å; F511-F528 HydrophobicContact CE2-CD1 4.33Å; F511-F528 AromaticContact CE2-CE1 3.9Å; F511-F528 HydrophobicContact CE2-CE1 3.9Å; F511-F528 HydrophobicContact CZ-CD1 4.14Å; F511-F528 AromaticContact CZ-CE1 3.94Å; F511-F528 HydrophobicContact CZ-CE1 3.94Å; M518-F528 VanDerWaalsContact SD-O 3.39Å; F528-K669 HydrophobicContact CD1-CD 3.85Å; F528-K669 PolarHBondContact O-NZ 2.87Å; F528-N672 HydrophobicContact CE1-CB 3.87Å; F528-N672 VanDerWaalsContact CZ-C 3.42Å; F528-N672 HydrophobicContact CZ-CB 3.74Å; F528-N673 HydrophobicContact CD1-CB 3.91Å; F528-N673 HydrophobicContact CD2-CB 3.93Å; F528-N673 WeakPolarHBondContact CD2-ND2 3.24Å; F528-N673 HydrophobicContact CE1-CB 3.81Å; F528-N673 HydrophobicContact CE2-CB 3.82Å; F528-N673 HydrophobicContact CG-CB 3.98Å; F528-N673 VanDerWaalsContact CG-ND2 3.31Å; F528-N673 WeakPolarHBondContact CG-ND2 3.36Å; F528-N673 VanDerWaalsContact CZ-CA 3.49Å; F528-N673 HydrophobicContact CZ-CB 3.77Å
529	P	97.9	Very high	96.1	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.206	C	C	.	.	S	Bend	cis	-58.9	155.2	1.7	-21.4	33.7	0	0	0	112.8	L507 W508 F511 M527	L507-P529 HydrophobicContact CD2-CB 4.21Å; L507-P529 HydrophobicContact CD2-CG 4.05Å; L507-P529 HydrophobicContact CG-CG 3.94Å; W508-P529 HydrophobicContact CD2-CB 4.03Å; W508-P529 HydrophobicContact CD2-CG 4.12Å; W508-P529 HydrophobicContact CE3-CG 4.36Å; W508-P529 HydrophobicContact CG-CB 4.43Å; W508-P529 HydrophobicContact CG-CG 4.48Å; W508-P529 WeakPolarHBondContact CH2-O 3.43Å; W508-P529 HydrophobicContact CZ2-CB 3.95Å; W508-P529 VanDerWaalsContact CZ2-O 3.29Å; W508-P529 WeakPolarHBondContact CZ2-O 3.49Å; F511-P529 HydrophobicContact CD2-CG 3.35Å; F511-P529 HydrophobicContact CE2-CG 3.59Å; F511-P529 HydrophobicContact CG-CG 4.24Å; M527-P529 CarbonylContact C-O 3.59Å
530	S	96.9	Very high	96	Very high	32 Å²	32	47.3 Å²	47.3	22%	0.224	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-80.9	129.1	-179.2	-58.1	0	0	0	0	109	K532	S530-K532 PolarHBondContact O-N 2.7Å
531	F	97.9	Very high	95.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-66.7	117.9	176.6	-164.9	-78.7	0	0	0	109.9	L502 W508 M527 V533 L548 F599 P626 F628 F649 T652	L502-F531 HydrophobicContact CD1-CE2 4.32Å; W508-F531 HydrophobicContact CZ2-CB 4.31Å; W508-F531 HydrophobicContact CZ2-CD2 4.4Å; M527-F531 HydrophobicContact CE-CB 3.9Å; F531-V533 HydrophobicContact CD1-CG1 4.44Å; F531-V533 HydrophobicContact CE1-CG1 3.65Å; F531-V533 HydrophobicContact CZ-CG1 4.15Å; F531-L548 HydrophobicContact CB-CD2 4.36Å; F531-L548 HydrophobicContact CD1-CD1 3.7Å; F531-L548 HydrophobicContact CD1-CD2 4.2Å; F531-L548 HydrophobicContact CD2-CD1 4.35Å; F531-L548 HydrophobicContact CE1-CD1 3.45Å; F531-L548 VanDerWaalsContact CE1-CD1 3.45Å; F531-L548 HydrophobicContact CE2-CD1 4.12Å; F531-L548 HydrophobicContact CG-CD1 4.15Å; F531-L548 HydrophobicContact CG-CD2 4.19Å; F531-L548 HydrophobicContact CZ-CD1 3.67Å; F531-F599 HydrophobicContact CB-CB 4.39Å; F531-F599 AromaticContact CD1-CD2 3.9Å; F531-F599 HydrophobicContact CD1-CD2 3.9Å; F531-F599 HydrophobicContact CD1-CG 4.49Å; F531-F599 HydrophobicContact CE1-CD2 4.43Å; F531-F599 PolarHBondContact O-N 3.15Å; F531-P626 HydrophobicContact CD2-CB 3.98Å; F531-P626 HydrophobicContact CD2-CG 4.34Å; F531-P626 HydrophobicContact CE2-CB 3.79Å; F531-P626 HydrophobicContact CE2-CG 4.46Å; F531-F628 HydrophobicContact CE1-CB 3.96Å; F531-F628 HydrophobicContact CE1-CG 4.48Å; F531-F628 HydrophobicContact CZ-CB 3.99Å; F531-F649 HydrophobicContact CE2-CD2 4.32Å; F531-F649 AromaticContact CZ-CD2 3.94Å; F531-F649 HydrophobicContact CZ-CD2 3.94Å; F531-F649 HydrophobicContact CZ-CE2 4.24Å; F531-T652 HydrophobicContact CD2-CG2 4.24Å; F531-T652 HydrophobicContact CE2-CG2 4.02Å
532	K	97.6	Very high	95.7	Very high	59 Å²	59	52.7 Å²	52.7	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139	-178.9	-60.7	174.6	-157.2	159	0	109	L503 D504 S530 I597	L503-K532 HydrophobicContact CB-CB 4.06Å; L503-K532 HydrophobicContact CD1-CB 4.38Å; L503-K532 PolarHBondContact N-O 3.27Å; D504-K532 IonicContact OD1-NZ 3.47Å; D504-K532 IonicContact OD2-NZ 3.78Å; D504-K532 PolarHBondContact OD2-NZ 2.78Å; S530-K532 PolarHBondContact O-N 2.7Å; K532-I597 CarbonylContact C-O 3.53Å; K532-I597 VanDerWaalsContact CA-O 3.24Å; K532-I597 WeakPolarHBondContact CA-O 3.49Å
533	V	97.4	Very high	95.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.6	175.5	-66	0	0	0	0	111.7	T500 E501 F531 V535 I597 F628 F649	T500-V533 HydrophobicContact CG2-CB 3.77Å; T500-V533 HydrophobicContact CG2-CG1 3.98Å; T500-V533 HydrophobicContact CG2-CG2 4.22Å; E501-V533 CarbonylContact O-C 3.53Å; E501-V533 VanDerWaalsContact O-CA 3.26Å; E501-V533 WeakPolarHBondContact O-CA 3.49Å; F531-V533 HydrophobicContact CD1-CG1 4.44Å; F531-V533 HydrophobicContact CE1-CG1 3.65Å; F531-V533 HydrophobicContact CZ-CG1 4.15Å; V533-V535 HydrophobicContact CG2-CG2 4.38Å; V533-I597 HydrophobicContact CG2-CB 3.94Å; V533-I597 HydrophobicContact CG2-CD1 4.46Å; V533-I597 PolarHBondContact N-O 3.31Å; V533-I597 PolarHBondContact O-N 2.82Å; V533-F628 HydrophobicContact CG2-CD1 4.12Å; V533-F628 HydrophobicContact CG2-CD2 4.24Å; V533-F628 HydrophobicContact CG2-CE1 3.81Å; V533-F628 HydrophobicContact CG2-CE2 3.94Å; V533-F628 HydrophobicContact CG2-CG 4.31Å; V533-F628 HydrophobicContact CG2-CZ 3.71Å; V533-F649 HydrophobicContact CG1-CE2 3.88Å; V533-F649 HydrophobicContact CG1-CZ 4.36Å
534	R	96.7	Very high	95.8	Very high	114 Å²	114	50.5 Å²	50.5	43%	0.43	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.9	164.5	165.1	162.7	57.2	-152.5	-0.6	107.6	T500 E501 L503 T536	T500-R534 CarbonylContact C-O 3.56Å; T500-R534 WeakPolarHBondContact CA-O 3.08Å; E501-R534 HydrophobicContact CB-CB 4.42Å; E501-R534 PolarHBondContact N-O 3.22Å; E501-R534 PolarHBondContact O-N 3.45Å; E501-R534 IonicContact OE1-CZ 3.46Å; E501-R534 IonicContact OE1-NH2 3.7Å; E501-R534 PolarHBondContact OE1-NH2 3.06Å; E501-R534 IonicContact OE2-CZ 2.8Å; E501-R534 IonicContact OE2-NE 3.77Å; E501-R534 PolarHBondContact OE2-NE 2.84Å; E501-R534 IonicContact OE2-NH2 2.65Å; E501-R534 PolarHBondContact OE2-NH2 3.49Å; L503-R534 HydrophobicContact CD1-CB 4.36Å; L503-R534 HydrophobicContact CD2-CB 4.01Å; L503-R534 HydrophobicContact CG-CB 4.29Å; R534-T536 HydrophobicContact CG-CG2 4.35Å
535	V	95.3	Very high	95.9	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.7	173.8	-177.9	0	0	0	0	108.5	R499 T500 V533 L538 I597 F628 I630	R499-V535 CarbonylContact O-C 3.57Å; T500-V535 HydrophobicContact CG2-CG2 4.08Å; V533-V535 HydrophobicContact CG2-CG2 4.38Å; V535-L538 HydrophobicContact CG1-CD1 3.86Å; V535-L538 HydrophobicContact CG1-CD2 4.01Å; V535-L538 HydrophobicContact CG1-CG 3.78Å; V535-I597 HydrophobicContact CB-CD1 4.33Å; V535-I597 HydrophobicContact CG2-CD1 3.65Å; V535-F628 HydrophobicContact CG2-CE1 3.83Å; V535-F628 HydrophobicContact CG2-CZ 3.92Å; V535-I630 HydrophobicContact CG1-CD1 3.73Å; V535-I630 HydrophobicContact CG2-CD1 4Å
536	T	94.7	Very high	95.8	Very high	59 Å²	59	43.8 Å²	43.8	36%	0.362	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.8	172.4	56.7	0	0	0	0	109.8	Q498 R499 R534	Q498-T536 WeakPolarHBondContact CA-O 3.4Å; R499-T536 PolarHBondContact N-O 3.43Å; R499-T536 PolarHBondContact O-N 3.06Å; R499-T536 PolarHBondContact O-OG1 3.03Å; R534-T536 HydrophobicContact CG-CG2 4.35Å
537	G	93	Very high	95.7	Very high	27 Å²	27	37.2 Å²	37.2	28%	0.278	18%	0.184	S	C	.	.			trans	86.1	22.4	177.3	0	0	0	0	0	115.6	M593	G537-M593 PolarHBondContact N-SD 3.22Å
538	L	94.2	Very high	95.6	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.063	18%	0.182	C	C	.	.			trans	-79.8	154.3	165.8	-57.4	175.3	0	0	0	110.3	Q498 V535 R540 Y544 M546 W592 M593 I630	Q498-L538 HydrophobicContact CG-CD2 4.22Å; V535-L538 HydrophobicContact CG1-CD1 3.86Å; V535-L538 HydrophobicContact CG1-CD2 4.01Å; V535-L538 HydrophobicContact CG1-CG 3.78Å; L538-R540 PolarHBondContact O-N 3.32Å; L538-Y544 HydrophobicContact CB-CD2 4.37Å; L538-Y544 HydrophobicContact CB-CE2 3.78Å; L538-Y544 HydrophobicContact CD1-CD2 4.14Å; L538-Y544 HydrophobicContact CD1-CE2 4.38Å; L538-Y544 HydrophobicContact CD1-CG 4.45Å; L538-Y544 HydrophobicContact CD2-CD1 4.19Å; L538-Y544 HydrophobicContact CD2-CD2 4.45Å; L538-Y544 HydrophobicContact CD2-CE1 3.92Å; L538-Y544 HydrophobicContact CD2-CE2 4.22Å; L538-Y544 HydrophobicContact CD2-CG 4.43Å; L538-Y544 HydrophobicContact CG-CE2 4.34Å; L538-M546 HydrophobicContact CD1-CE 3.68Å; L538-W592 HydrophobicContact CD1-CB 3.9Å; L538-M593 HydrophobicContact CB-CE 4.08Å; L538-M593 HydrophobicContact CB-CG 4.49Å; L538-M593 HydrophobicContact CB-SD 4.17Å; L538-M593 HydrophobicContact CD1-CG 4.33Å; L538-M593 HydrophobicContact CG-CG 4.45Å; L538-M593 VanDerWaalsContact O-CE 3.27Å; L538-M593 WeakPolarHBondContact O-CE 3.45Å; L538-I630 HydrophobicContact CD2-CD1 4.3Å; L538-I630 HydrophobicContact CD2-CG2 4.16Å
539	D	93.6	Very high	95.5	Very high	57 Å²	57	35.7 Å²	35.7	31%	0.305	18%	0.177	S	C	.	.			trans	-62.1	125.9	161.4	169.8	10.4	0	0	0	108.5	N541 A542 Y544 G589 R632	D539-N541 PolarHBondContact O-N 3.3Å; D539-N541 PolarHBondContact OD1-N 3.31Å; D539-A542 HydrophobicContact CB-CB 3.94Å; D539-A542 VanDerWaalsContact OD2-CB 3.24Å; D539-A542 WeakPolarHBondContact OD2-CB 3.48Å; D539-A542 PolarHBondContact OD2-N 2.78Å; D539-Y544 PolarHBondContact N-OH 2.9Å; D539-Y544 WeakPolarHBondContact O-CE2 3.42Å; D539-G589 WeakPolarHBondContact O-CA 3.24Å; D539-R632 IonicContact OD2-CZ 3.66Å; D539-R632 IonicContact OD2-NH2 2.86Å; D539-R632 PolarHBondContact OD2-NH2 3.15Å
540	R	94.9	Very high	95.4	Very high	150 Å²	150	36 Å²	36	57%	0.566	18%	0.179	S	C	*	.	S	Bend	trans	-60	-35.7	-178.7	-69	-176.9	-172.9	-139.1	10.9	112.5	L538 G589 E590 M593	L538-R540 PolarHBondContact O-N 3.32Å; R540-G589 PolarHBondContact O-N 3.02Å; R540-E590 HydrophobicContact CB-CB 4.03Å; R540-E590 WeakPolarHBondContact CD-OE1 3.47Å; R540-E590 HydrophobicContact CG-CB 4.28Å; R540-E590 IonicContact CZ-OE1 3.72Å; R540-E590 IonicContact NE-OE1 2.71Å; R540-E590 IonicContact NH1-OE1 2.85Å; R540-E590 PolarHBondContact NH1-OE1 2.84Å; R540-E590 PolarHBondContact O-N 2.92Å; R540-M593 HydrophobicContact CG-CE 4.07Å
541	N	94.8	Very high	95.3	Very high	137 Å²	137	35.2 Å²	35.2	73%	0.733	17%	0.173	S	C	*	.	S	Bend	trans	-91.8	-29.9	-169.2	-62.2	-17.7	0	0	0	112.4	D539	D539-N541 PolarHBondContact O-N 3.3Å; D539-N541 PolarHBondContact OD1-N 3.31Å
542	A	93.8	Very high	95.2	Very high	14 Å²	14	36.6 Å²	36.6	12%	0.116	18%	0.182	C	C	.	.	S	Bend	trans	-68	149.4	175.8	0	0	0	0	0	112.3	D539 Y544 T588 G589 R632	D539-A542 HydrophobicContact CB-CB 3.94Å; D539-A542 VanDerWaalsContact OD2-CB 3.24Å; D539-A542 WeakPolarHBondContact OD2-CB 3.48Å; D539-A542 PolarHBondContact OD2-N 2.78Å; A542-Y544 HydrophobicContact CB-CE2 3.79Å; A542-Y544 WeakPolarHBondContact O-CD2 3.32Å; A542-T588 CarbonylContact O-C 3.57Å; A542-T588 WeakPolarHBondContact O-CA 3.27Å; A542-G589 PolarHBondContact O-N 3.02Å; A542-R632 HydrophobicContact CB-CG 4.34Å
543	K	94.6	Very high	95.1	Very high	77 Å²	77	38.3 Å²	38.3	34%	0.335	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	141.4	171.5	-68.1	-176.3	-175.2	172	0	111.7	T587 A633 D634	K543-T587 WeakPolarHBondContact CA-O 3.32Å; K543-A633 PolarHBondContact O-N 2.93Å; K543-D634 HydrophobicContact CD-CB 4.15Å; K543-D634 WeakPolarHBondContact CD-OD1 3.46Å
544	Y	95.3	Very high	95	Very high	2 Å²	2	40 Å²	40	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.1	176.7	-60.8	-93.1	0	0	0	110.5	L538 D539 A542 T587 W592 I630 V631 R632	L538-Y544 HydrophobicContact CB-CD2 4.37Å; L538-Y544 HydrophobicContact CB-CE2 3.78Å; L538-Y544 HydrophobicContact CD1-CD2 4.14Å; L538-Y544 HydrophobicContact CD1-CE2 4.38Å; L538-Y544 HydrophobicContact CD1-CG 4.45Å; L538-Y544 HydrophobicContact CD2-CD1 4.19Å; L538-Y544 HydrophobicContact CD2-CD2 4.45Å; L538-Y544 HydrophobicContact CD2-CE1 3.92Å; L538-Y544 HydrophobicContact CD2-CE2 4.22Å; L538-Y544 HydrophobicContact CD2-CG 4.43Å; L538-Y544 HydrophobicContact CG-CE2 4.34Å; D539-Y544 PolarHBondContact N-OH 2.9Å; D539-Y544 WeakPolarHBondContact O-CE2 3.42Å; A542-Y544 HydrophobicContact CB-CE2 3.79Å; A542-Y544 WeakPolarHBondContact O-CD2 3.32Å; Y544-T587 PolarHBondContact N-O 3Å; Y544-T587 PolarHBondContact O-N 2.92Å; Y544-T587 VanDerWaalsContact O-N 3.13Å; Y544-W592 PolarHBondContact O-NE1 3.23Å; Y544-I630 HydrophobicContact CD1-CG2 3.64Å; Y544-I630 HydrophobicContact CE1-CG2 4.37Å; Y544-I630 HydrophobicContact CG-CG2 4.26Å; Y544-V631 CarbonylContact C-O 3.6Å; Y544-V631 VanDerWaalsContact CA-O 3.27Å; Y544-V631 WeakPolarHBondContact CA-O 3.5Å; Y544-R632 HydrophobicContact CD1-CB 3.91Å; Y544-R632 HydrophobicContact CD1-CG 4.18Å; Y544-R632 HydrophobicContact CE1-CB 3.73Å; Y544-R632 HydrophobicContact CE1-CG 3.74Å
545	I	95.4	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.7	168.6	-61.6	167.6	0	0	0	107.5	L547 I581 P586 V631 A633 L636 M639	I545-L547 HydrophobicContact CG2-CD2 4.44Å; I545-I581 HydrophobicContact CG2-CG2 4.03Å; I545-P586 HydrophobicContact CG1-CB 3.82Å; I545-V631 HydrophobicContact CB-CB 4.48Å; I545-V631 PolarHBondContact N-O 2.8Å; I545-V631 PolarHBondContact O-N 2.65Å; I545-A633 HydrophobicContact CD1-CB 3.79Å; I545-A633 HydrophobicContact CG1-CB 4.38Å; I545-L636 HydrophobicContact CD1-CD1 4.06Å; I545-L636 HydrophobicContact CG2-CD1 4.37Å; I545-M639 HydrophobicContact CB-SD 4.36Å; I545-M639 HydrophobicContact CD1-CB 3.96Å; I545-M639 HydrophobicContact CD1-CG 4.29Å; I545-M639 HydrophobicContact CD1-SD 4.15Å; I545-M639 HydrophobicContact CG2-SD 3.62Å
546	M	95.4	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	-178.6	-61.9	-65.9	179	0	0	108.4	L538 H582 S585 W592 I597 F628 I630	L538-M546 HydrophobicContact CD1-CE 3.68Å; M546-H582 HydrophobicContact CB-CB 4.06Å; M546-H582 VanDerWaalsContact O-CB 3.22Å; M546-H582 WeakPolarHBondContact O-CB 3.37Å; M546-H582 PolarHBondContact O-N 2.75Å; M546-S585 PolarHBondContact N-OG 2.95Å; M546-S585 PolarHBondContact O-OG 2.89Å; M546-W592 HydrophobicContact CB-CH2 3.72Å; M546-W592 HydrophobicContact CB-CZ2 3.84Å; M546-W592 HydrophobicContact CB-CZ3 4.08Å; M546-W592 HydrophobicContact CE-CB 3.93Å; M546-W592 HydrophobicContact CE-CD2 3.9Å; M546-W592 HydrophobicContact CE-CG 3.55Å; M546-W592 HydrophobicContact CG-CD2 3.52Å; M546-W592 HydrophobicContact CG-CE3 3.74Å; M546-W592 HydrophobicContact CG-CG 4.21Å; M546-W592 HydrophobicContact CG-CH2 3.62Å; M546-W592 HydrophobicContact CG-CZ2 3.39Å; M546-W592 HydrophobicContact CG-CZ3 3.79Å; M546-I597 HydrophobicContact CE-CD1 4.1Å; M546-I597 HydrophobicContact CG-CD1 4.02Å; M546-I597 HydrophobicContact SD-CD1 3.99Å; M546-F628 HydrophobicContact CB-CE2 4.22Å; M546-F628 HydrophobicContact SD-CE2 4.12Å; M546-F628 HydrophobicContact SD-CZ 3.63Å; M546-I630 HydrophobicContact CE-CD1 4.26Å; M546-I630 HydrophobicContact CE-CG1 4.3Å; M546-I630 HydrophobicContact CE-CG2 3.86Å; M546-I630 HydrophobicContact SD-CB 4.16Å; M546-I630 HydrophobicContact SD-CD1 4.2Å; M546-I630 HydrophobicContact SD-CG1 3.7Å; M546-I630 HydrophobicContact SD-CG2 3.96Å
547	L	94.6	Very high	95.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.9	-178.6	63.2	90.7	0	0	0	112.4	I545 P579 Y580 I581 F628 H629 V631 M639 F644	I545-L547 HydrophobicContact CG2-CD2 4.44Å; L547-P579 HydrophobicContact CD1-CB 3.8Å; L547-Y580 CarbonylContact C-O 3.58Å; L547-Y580 VanDerWaalsContact CA-O 3.24Å; L547-Y580 WeakPolarHBondContact CA-O 3.43Å; L547-Y580 WeakPolarHBondContact CB-O 3.34Å; L547-I581 HydrophobicContact CB-CG1 4.34Å; L547-F628 WeakPolarHBondContact O-CD2 3.33Å; L547-H629 HydrophobicContact CD1-CB 3.61Å; L547-H629 VanDerWaalsContact CD1-CD2 3.47Å; L547-H629 WeakPolarHBondContact CD1-CD2 3.39Å; L547-H629 HydrophobicContact CG-CB 3.96Å; L547-H629 PolarHBondContact N-O 2.77Å; L547-H629 PolarHBondContact O-N 2.86Å; L547-V631 HydrophobicContact CD2-CG2 4.42Å; L547-M639 HydrophobicContact CD2-CE 4.23Å; L547-M639 HydrophobicContact CD2-CG 4.44Å; L547-M639 HydrophobicContact CD2-SD 3.4Å; L547-M639 WeakPolarHBondContact CD2-SD 3.5Å; L547-F644 HydrophobicContact CD2-CE1 4.13Å
548	L	95.8	Very high	95.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	123.7	178.8	-171.1	81	0	0	0	108.3	M527 F531 Y580 F599 L602 P626 R627 F628	M527-L548 HydrophobicContact CE-CD2 4.02Å; F531-L548 HydrophobicContact CB-CD2 4.36Å; F531-L548 HydrophobicContact CD1-CD1 3.7Å; F531-L548 HydrophobicContact CD1-CD2 4.2Å; F531-L548 HydrophobicContact CD2-CD1 4.35Å; F531-L548 HydrophobicContact CE1-CD1 3.45Å; F531-L548 VanDerWaalsContact CE1-CD1 3.45Å; F531-L548 HydrophobicContact CE2-CD1 4.12Å; F531-L548 HydrophobicContact CG-CD1 4.15Å; F531-L548 HydrophobicContact CG-CD2 4.19Å; F531-L548 HydrophobicContact CZ-CD1 3.67Å; L548-Y580 PolarHBondContact N-O 2.9Å; L548-Y580 WeakPolarHBondContact O-CB 3.35Å; L548-Y580 PolarHBondContact O-N 3.41Å; L548-F599 HydrophobicContact CB-CD1 3.58Å; L548-F599 HydrophobicContact CB-CE1 3.59Å; L548-F599 HydrophobicContact CB-CG 4.07Å; L548-F599 HydrophobicContact CB-CZ 4.09Å; L548-F599 HydrophobicContact CD2-CB 3.95Å; L548-F599 HydrophobicContact CD2-CD1 4.19Å; L548-F599 HydrophobicContact CD2-CG 3.99Å; L548-F599 HydrophobicContact CG-CD1 4.46Å; L548-L602 HydrophobicContact CD2-CD2 3.87Å; L548-P626 HydrophobicContact CD1-CB 4.26Å; L548-R627 WeakPolarHBondContact CA-O 3.27Å; L548-R627 WeakPolarHBondContact CD1-O 3.25Å; L548-F628 HydrophobicContact CD1-CB 4.03Å
549	D	94.8	Very high	95.7	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.027	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	167.8	163	82.7	17.7	0	0	0	111.2	Y266 V551 P579 P626 R627 H629	Y266-D549 PolarHBondContact OH-OD2 3.42Å; D549-V551 WeakPolarHBondContact OD1-CG1 3.28Å; D549-P579 HydrophobicContact CB-CB 4.36Å; D549-P626 WeakPolarHBondContact O-CA 3.42Å; D549-R627 PolarHBondContact N-O 3.15Å; D549-R627 PolarHBondContact O-N 3.24Å; D549-R627 WeakPolarHBondContact OD1-CB 3.4Å; D549-R627 IonicContact OD1-CZ 3.03Å; D549-R627 IonicContact OD1-NE 3.46Å; D549-R627 PolarHBondContact OD1-NE 3.3Å; D549-R627 IonicContact OD1-NH2 3.59Å; D549-R627 PolarHBondContact OD1-NH2 3.18Å; D549-R627 IonicContact OD2-CZ 3.2Å; D549-R627 IonicContact OD2-NE 3.28Å; D549-R627 IonicContact OD2-NH2 3.01Å; D549-R627 PolarHBondContact OD2-NH2 2.64Å; D549-H629 IonicContact OD1-NE2 2.68Å; D549-H629 IonicContact OD2-NE2 2.86Å
550	I	95.9	Very high	95.9	Very high	9 Å²	9	49.7 Å²	49.7	5%	0.046	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.2	178.7	-60.6	178.3	0	0	0	105.2	M527 R577 L602 L604 A616 L618 Y624 F654	M527-I550 HydrophobicContact SD-CD1 4.4Å; I550-R577 WeakPolarHBondContact O-CD 3.42Å; I550-L602 HydrophobicContact CD1-CD2 4.14Å; I550-L604 HydrophobicContact CD1-CD2 3.43Å; I550-L604 VanDerWaalsContact CD1-CD2 3.43Å; I550-A616 HydrophobicContact CD1-CB 4.15Å; I550-L618 HydrophobicContact CB-CD2 4.32Å; I550-L618 HydrophobicContact CG2-CD1 4.33Å; I550-L618 HydrophobicContact CG2-CD2 3.76Å; I550-Y624 HydrophobicContact CG2-CD1 3.94Å; I550-Y624 HydrophobicContact CG2-CG 3.99Å; I550-F654 HydrophobicContact CD1-CZ 4.44Å; I550-F654 HydrophobicContact CG2-CE1 4.22Å; I550-F654 HydrophobicContact CG2-CZ 4Å
551	V	95	Very high	96	Very high	14 Å²	14	47.1 Å²	47.1	9%	0.085	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.8	-177.4	-57.7	0	0	0	0	110.4	D549 R553 Y624 I625 R627	D549-V551 WeakPolarHBondContact OD1-CG1 3.28Å; V551-R553 PolarHBondContact O-N 2.91Å; V551-Y624 WeakPolarHBondContact O-CA 3.18Å; V551-I625 HydrophobicContact CG2-CG2 3.6Å; V551-I625 PolarHBondContact N-O 3.22Å; V551-I625 VanDerWaalsContact N-O 3.14Å; V551-I625 PolarHBondContact O-N 3.13Å; V551-R627 HydrophobicContact CG2-CG 4.14Å
552	S	96.2	Very high	96	Very high	29 Å²	29	48.4 Å²	48.4	20%	0.203	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	138.8	169.2	-67.4	0	0	0	0	110.3	E574 K623 Y624	S552-E574 WeakPolarHBondContact CB-OE2 3.36Å; S552-E574 PolarHBondContact N-OE1 3.3Å; S552-E574 PolarHBondContact OG-OE1 2.88Å; S552-E574 PolarHBondContact OG-OE2 3.46Å; S552-K623 WeakPolarHBondContact CA-O 3.39Å; S552-Y624 WeakPolarHBondContact OG-CE1 3.4Å
553	R	96.1	Very high	96.1	Very high	95 Å²	95	50.4 Å²	50.4	36%	0.358	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-26.9	-178.7	179.4	59.8	153.1	-163.5	-13.3	112.1	V551 K623 I625 D650 E653	V551-R553 PolarHBondContact O-N 2.91Å; R553-K623 HydrophobicContact CB-CB 4.42Å; R553-K623 HydrophobicContact CB-CD 3.83Å; R553-K623 HydrophobicContact CB-CG 3.84Å; R553-K623 HydrophobicContact CG-CD 3.68Å; R553-K623 HydrophobicContact CG-CG 4.18Å; R553-K623 PolarHBondContact N-O 3.39Å; R553-I625 HydrophobicContact CB-CB 4.45Å; R553-I625 HydrophobicContact CB-CG2 4.31Å; R553-D650 IonicContact CZ-OD1 3.7Å; R553-D650 IonicContact NH1-OD1 3.27Å; R553-D650 PolarHBondContact NH1-OD1 3.35Å; R553-D650 IonicContact NH2-OD1 2.7Å; R553-D650 PolarHBondContact NH2-OD1 3.09Å; R553-E653 HydrophobicContact CG-CG 4.26Å; R553-E653 IonicContact CZ-OE2 2.71Å; R553-E653 VanDerWaalsContact CZ-OE2 3.24Å; R553-E653 IonicContact NE-OE2 3.64Å; R553-E653 PolarHBondContact NE-OE2 3.3Å; R553-E653 IonicContact NH2-OE2 3.57Å; R553-E653 PolarHBondContact NH2-OE2 3.45Å
554	D	95.8	Very high	96.1	Very high	37 Å²	37	53.9 Å²	53.9	20%	0.198	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	170.1	175.5	60.6	-1.7	0	0	0	111.1	H556 Y558	D554-H556 VanDerWaalsContact C-N 3.26Å; D554-H556 VanDerWaalsContact CG-ND1 3.3Å; D554-H556 PolarHBondContact O-N 2.99Å; D554-H556 IonicContact OD2-CE1 3.79Å; D554-H556 IonicContact OD2-CG 2.78Å; D554-H556 IonicContact OD2-ND1 3.45Å; D554-H556 PolarHBondContact OD2-ND1 3.4Å; D554-Y558 PolarHBondContact OD2-OH 3.39Å
555	E	96	Very high	96.3	Very high	146 Å²	146	55.6 Å²	55.6	68%	0.682	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	37	-178.1	-63.8	173.4	-151.3	0	0	112.2	K570 A571	E555-K570 CarbonylContact O-C 3.58Å; E555-A571 VanDerWaalsContact C-CB 3.46Å; E555-A571 PolarHBondContact O-N 2.57Å
556	H	97.3	Very high	96.4	Very high	68 Å²	68	58.2 Å²	58.2	32%	0.315	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.2	-173.9	-58.2	124.4	0	0	0	113.1	D554 Y558 I567	D554-H556 VanDerWaalsContact C-N 3.26Å; D554-H556 VanDerWaalsContact CG-ND1 3.3Å; D554-H556 PolarHBondContact O-N 2.99Å; D554-H556 IonicContact OD2-CE1 3.79Å; D554-H556 IonicContact OD2-CG 2.78Å; D554-H556 IonicContact OD2-ND1 3.45Å; D554-H556 PolarHBondContact OD2-ND1 3.4Å; H556-Y558 HydrophobicContact CB-CD2 4.21Å; H556-Y558 HydrophobicContact CB-CE2 3.69Å; H556-Y558 WeakPolarHBondContact O-CD2 3.48Å; H556-I567 HydrophobicContact CB-CG1 4.26Å; H556-I567 HydrophobicContact CB-CG2 4.25Å
557	R	98.1	Very high	96.5	Very high	114 Å²	114	62.5 Å²	62.5	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.8	161.9	-174	166.6	177.5	176	-2.4	108.7	A568 G569 K570 D572	R557-A568 WeakPolarHBondContact O-CA 3.49Å; R557-A568 WeakPolarHBondContact O-CB 3.48Å; R557-A568 PolarHBondContact O-N 3.47Å; R557-G569 PolarHBondContact N-O 2.68Å; R557-G569 PolarHBondContact O-N 3.45Å; R557-K570 VanDerWaalsContact CB-O 3.27Å; R557-K570 WeakPolarHBondContact CB-O 3.47Å; R557-D572 WeakPolarHBondContact CD-OD1 3.19Å; R557-D572 IonicContact CZ-OD1 2.68Å; R557-D572 IonicContact CZ-OD2 2.68Å; R557-D572 VanDerWaalsContact CZ-OD2 3.28Å; R557-D572 IonicContact NE-OD1 3.97Å; R557-D572 IonicContact NE-OD2 3.95Å; R557-D572 PolarHBondContact NE-OD2 3.14Å; R557-D572 IonicContact NH1-OD1 2.6Å; R557-D572 PolarHBondContact NH1-OD1 3.47Å; R557-D572 IonicContact NH1-OD2 3.74Å; R557-D572 PolarHBondContact NH1-OD2 2.87Å
558	Y	98.5	Very high	96.6	Very high	26 Å²	26	65.3 Å²	65.3	10%	0.102	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	163.6	-174.9	-75.7	-99.2	0	0	0	113.1	D554 H556 T566 I567 M621 K623 I655	D554-Y558 PolarHBondContact OD2-OH 3.39Å; H556-Y558 HydrophobicContact CB-CD2 4.21Å; H556-Y558 HydrophobicContact CB-CE2 3.69Å; H556-Y558 WeakPolarHBondContact O-CD2 3.48Å; Y558-T566 CarbonylContact C-O 3.56Å; Y558-T566 WeakPolarHBondContact CA-O 3.37Å; Y558-I567 HydrophobicContact CE1-CG1 4.25Å; Y558-M621 WeakPolarHBondContact CB-O 3.32Å; Y558-M621 PolarHBondContact N-O 2.67Å; Y558-M621 WeakPolarHBondContact O-CB 3.28Å; Y558-K623 HydrophobicContact CD2-CB 4.32Å; Y558-K623 HydrophobicContact CE2-CB 3.78Å; Y558-K623 VanDerWaalsContact OH-CE 3.29Å; Y558-K623 WeakPolarHBondContact OH-CE 3.11Å; Y558-I655 HydrophobicContact CD1-CD1 4.14Å; Y558-I655 HydrophobicContact CG-CD1 4.1Å
559	K	98.1	Very high	96.7	Very high	78 Å²	78	66.9 Å²	66.9	34%	0.339	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.6	166.8	65	-175	176.4	155.3	0	110.6	Q561 T566 A568	K559-Q561 HydrophobicContact CD-CG 4.35Å; K559-Q561 VanDerWaalsContact CE-OE1 3.3Å; K559-Q561 HydrophobicContact CG-CG 4.33Å; K559-T566 WeakPolarHBondContact CE-OG1 3.4Å; K559-T566 WeakPolarHBondContact CG-OG1 3.24Å; K559-T566 PolarHBondContact N-O 2.84Å; K559-T566 PolarHBondContact O-N 3.14Å; K559-T566 PolarHBondContact O-OG1 2.87Å; K559-T566 VanDerWaalsContact O-OG1 3.08Å; K559-A568 HydrophobicContact CB-CB 4.09Å; K559-A568 HydrophobicContact CD-CB 3.9Å; K559-A568 HydrophobicContact CG-CB 3.95Å
560	F	98.1	Very high	96.7	Very high	41 Å²	41	74 Å²	74	18%	0.18	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	115.6	174.7	-168.6	-105.1	0	0	0	109.9	K564 W565 Q661 N662	F560-K564 CarbonylContact C-O 3.58Å; F560-K564 WeakPolarHBondContact CA-O 3.24Å; F560-K564 VanDerWaalsContact CD2-C 3.43Å; F560-K564 WeakPolarHBondContact CD2-O 3.48Å; F560-W565 HydrophobicContact CB-CD2 4.2Å; F560-W565 HydrophobicContact CB-CE3 4.04Å; F560-W565 HydrophobicContact CB-CH2 4.22Å; F560-W565 HydrophobicContact CB-CZ2 4.32Å; F560-W565 HydrophobicContact CB-CZ3 4.07Å; F560-W565 AromaticContact CD2-CD1 3.77Å; F560-W565 AromaticContact CD2-CD2 3.76Å; F560-W565 HydrophobicContact CD2-CD2 3.76Å; F560-W565 AromaticContact CD2-CE2 3.71Å; F560-W565 HydrophobicContact CD2-CE3 4.43Å; F560-W565 AromaticContact CD2-CG 3.82Å; F560-W565 HydrophobicContact CD2-CG 3.82Å; F560-W565 HydrophobicContact CD2-CZ2 4.36Å; F560-W565 AromaticContact CD2-NE1 3.67Å; F560-W565 HydrophobicContact CE2-CG 4.45Å; F560-W565 HydrophobicContact CG-CD2 4.47Å; F560-Q661 HydrophobicContact CB-CB 3.61Å; F560-Q661 HydrophobicContact CB-CG 4.01Å; F560-Q661 HydrophobicContact CD1-CB 3.7Å; F560-Q661 HydrophobicContact CD2-CB 4.34Å; F560-Q661 HydrophobicContact CE1-CB 4.41Å; F560-Q661 VanDerWaalsContact CE1-O 3.3Å; F560-Q661 WeakPolarHBondContact CE1-O 3.32Å; F560-Q661 HydrophobicContact CG-CB 3.64Å; F560-N662 HydrophobicContact CE2-CB 4.13Å; F560-N662 HydrophobicContact CZ-CB 3.85Å
561	Q	96.7	Very high	96.8	Very high	96 Å²	96	74.7 Å²	74.7	45%	0.449	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.6	-179	-66.4	-171	-41.1	0	0	109.8	K559 G563 K564	K559-Q561 HydrophobicContact CD-CG 4.35Å; K559-Q561 VanDerWaalsContact CE-OE1 3.3Å; K559-Q561 HydrophobicContact CG-CG 4.33Å; Q561-G563 PolarHBondContact O-N 2.83Å; Q561-G563 VanDerWaalsContact O-N 3.08Å; Q561-K564 PolarHBondContact N-O 3.25Å; Q561-K564 PolarHBondContact O-N 3.07Å
562	N	94.9	Very high	96.7	Very high	164 Å²	164	76.5 Å²	76.5	88%	0.877	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.1	178.5	-60	62.6	0	0	0	114.2
563	G	94.5	Very high	96.5	Very high	57 Å²	57	81.1 Å²	81.1	59%	0.588	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	15.4	-179.2	0	0	0	0	0	115.1	Q561	Q561-G563 PolarHBondContact O-N 2.83Å; Q561-G563 VanDerWaalsContact O-N 3.08Å
564	K	96.5	Very high	95.9	Very high	149 Å²	149	79.4 Å²	79.4	65%	0.648	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.6	-178	-62.8	-177.3	-179.4	-178.9	0	111.8	F560 Q561	F560-K564 CarbonylContact C-O 3.58Å; F560-K564 WeakPolarHBondContact CA-O 3.24Å; F560-K564 VanDerWaalsContact CD2-C 3.43Å; F560-K564 WeakPolarHBondContact CD2-O 3.48Å; Q561-K564 PolarHBondContact N-O 3.25Å; Q561-K564 PolarHBondContact O-N 3.07Å
565	W	98	Very high	95.2	Very high	39 Å²	39	78.3 Å²	78.3	15%	0.148	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.1	165.5	-74.5	106.4	0	0	0	110.4	T515 E517 F560 M621 I655 V657 Q661	T515-W565 HydrophobicContact CG2-CG 4.25Å; E517-W565 HydrophobicContact CG-CZ2 4Å; F560-W565 HydrophobicContact CB-CD2 4.2Å; F560-W565 HydrophobicContact CB-CE3 4.04Å; F560-W565 HydrophobicContact CB-CH2 4.22Å; F560-W565 HydrophobicContact CB-CZ2 4.32Å; F560-W565 HydrophobicContact CB-CZ3 4.07Å; F560-W565 AromaticContact CD2-CD1 3.77Å; F560-W565 AromaticContact CD2-CD2 3.76Å; F560-W565 HydrophobicContact CD2-CD2 3.76Å; F560-W565 AromaticContact CD2-CE2 3.71Å; F560-W565 HydrophobicContact CD2-CE3 4.43Å; F560-W565 AromaticContact CD2-CG 3.82Å; F560-W565 HydrophobicContact CD2-CG 3.82Å; F560-W565 HydrophobicContact CD2-CZ2 4.36Å; F560-W565 AromaticContact CD2-NE1 3.67Å; F560-W565 HydrophobicContact CE2-CG 4.45Å; F560-W565 HydrophobicContact CG-CD2 4.47Å; W565-M621 HydrophobicContact CH2-CE 3.86Å; W565-M621 HydrophobicContact CH2-SD 4.42Å; W565-M621 HydrophobicContact CZ3-CE 3.65Å; W565-I655 HydrophobicContact CD2-CD1 3.57Å; W565-I655 HydrophobicContact CE3-CD1 3.7Å; W565-I655 HydrophobicContact CG-CD1 3.98Å; W565-I655 HydrophobicContact CH2-CB 4.36Å; W565-I655 HydrophobicContact CH2-CD1 4.31Å; W565-I655 HydrophobicContact CH2-CG2 3.7Å; W565-I655 HydrophobicContact CZ2-CB 4.4Å; W565-I655 HydrophobicContact CZ2-CD1 4.24Å; W565-I655 HydrophobicContact CZ2-CG2 4.23Å; W565-I655 HydrophobicContact CZ3-CD1 4.05Å; W565-I655 HydrophobicContact CZ3-CG2 3.94Å; W565-V657 HydrophobicContact CH2-CG1 3.86Å; W565-V657 HydrophobicContact CZ2-CG1 4.29Å; W565-Q661 HydrophobicContact CH2-CB 4.2Å; W565-Q661 HydrophobicContact CH2-CG 3.68Å; W565-Q661 HydrophobicContact CZ2-CB 3.92Å; W565-Q661 HydrophobicContact CZ2-CG 3.87Å
566	T	97.6	Very high	94.2	Very high	55 Å²	55	74 Å²	74	34%	0.337	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.6	179.4	55.6	0	0	0	0	109.8	Y558 K559	Y558-T566 CarbonylContact C-O 3.56Å; Y558-T566 WeakPolarHBondContact CA-O 3.37Å; K559-T566 WeakPolarHBondContact CE-OG1 3.4Å; K559-T566 WeakPolarHBondContact CG-OG1 3.24Å; K559-T566 PolarHBondContact N-O 2.84Å; K559-T566 PolarHBondContact O-N 3.14Å; K559-T566 PolarHBondContact O-OG1 2.87Å; K559-T566 VanDerWaalsContact O-OG1 3.08Å
567	I	97.9	Very high	93.1	Very high	90 Å²	90	74.6 Å²	74.6	46%	0.462	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139	173.3	-62.3	168.9	0	0	0	108.8	H556 Y558	H556-I567 HydrophobicContact CB-CG1 4.26Å; H556-I567 HydrophobicContact CB-CG2 4.25Å; Y558-I567 HydrophobicContact CE1-CG1 4.25Å
568	A	97	Very high	92.2	Very high	58 Å²	58	73.2 Å²	73.2	48%	0.479	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-32.7	178.2	0	0	0	0	0	112.6	R557 K559	R557-A568 WeakPolarHBondContact O-CA 3.49Å; R557-A568 WeakPolarHBondContact O-CB 3.48Å; R557-A568 PolarHBondContact O-N 3.47Å; K559-A568 HydrophobicContact CB-CB 4.09Å; K559-A568 HydrophobicContact CD-CB 3.9Å; K559-A568 HydrophobicContact CG-CB 3.95Å
569	G	96.7	Very high	91.7	Very high	34 Å²	34	72.8 Å²	72.8	35%	0.351	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-168.8	179.5	0	0	0	0	0	112.6	R557	R557-G569 PolarHBondContact N-O 2.68Å; R557-G569 PolarHBondContact O-N 3.45Å
570	K	96.8	Very high	91.5	Very high	155 Å²	155	70 Å²	70	67%	0.674	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	153.5	165.1	-168.6	-176.3	178.4	-174.4	0	109.2	E555 R557	E555-K570 CarbonylContact O-C 3.58Å; R557-K570 VanDerWaalsContact CB-O 3.27Å; R557-K570 WeakPolarHBondContact CB-O 3.47Å
571	A	96.1	Very high	91.4	Very high	23 Å²	23	70.8 Å²	70.8	19%	0.19	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61.7	146.8	169.9	0	0	0	0	0	112.6	E555 H622	E555-A571 VanDerWaalsContact C-CB 3.46Å; E555-A571 PolarHBondContact O-N 2.57Å; A571-H622 WeakPolarHBondContact CA-NE2 3.39Å
572	D	93.9	Very high	91.3	Very high	52 Å²	52	66.7 Å²	66.7	28%	0.278	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-72.2	145.9	168.3	-54.7	-28.1	0	0	0	109.3	R557 E574 N619 H622	R557-D572 WeakPolarHBondContact CD-OD1 3.19Å; R557-D572 IonicContact CZ-OD1 2.68Å; R557-D572 IonicContact CZ-OD2 2.68Å; R557-D572 VanDerWaalsContact CZ-OD2 3.28Å; R557-D572 IonicContact NE-OD1 3.97Å; R557-D572 IonicContact NE-OD2 3.95Å; R557-D572 PolarHBondContact NE-OD2 3.14Å; R557-D572 IonicContact NH1-OD1 2.6Å; R557-D572 PolarHBondContact NH1-OD1 3.47Å; R557-D572 IonicContact NH1-OD2 3.74Å; R557-D572 PolarHBondContact NH1-OD2 2.87Å; D572-E574 PolarHBondContact O-N 3.45Å; D572-N619 PolarHBondContact O-ND2 3.39Å; D572-N619 VanDerWaalsContact O-ND2 3.14Å; D572-H622 PolarHBondContact N-NE2 2.89Å; D572-H622 IonicContact OD2-CE1 2.65Å; D572-H622 PolarHBondContact OD2-CE1 2.97Å
573	P	91.3	Very high	91.3	Very high	126 Å²	126	62 Å²	62	82%	0.818	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-52.7	132.1	-178.6	-27.2	35.2	0	0	0	113.1	N619	P573-N619 PolarHBondContact O-ND2 3.43Å
574	E	84.8	Confident	91.4	Very high	60 Å²	60	61.9 Å²	61.9	28%	0.28	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-85.4	129.6	-168.4	-161.6	175.4	160.2	0	0	112.5	S552 D572 C576 R577	S552-E574 WeakPolarHBondContact CB-OE2 3.36Å; S552-E574 PolarHBondContact N-OE1 3.3Å; S552-E574 PolarHBondContact OG-OE1 2.88Å; S552-E574 PolarHBondContact OG-OE2 3.46Å; D572-E574 PolarHBondContact O-N 3.45Å; E574-C576 PolarHBondContact O-N 2.9Å; E574-R577 IonicContact OE1-CZ 3.74Å; E574-R577 VanDerWaalsContact OE1-CZ 3.26Å; E574-R577 IonicContact OE1-NE 3.33Å; E574-R577 PolarHBondContact OE1-NE 2.87Å; E574-R577 IonicContact OE1-NH2 2.88Å; E574-R577 PolarHBondContact OE1-NH2 2.71Å; E574-R577 IonicContact OE2-CZ 2.8Å; E574-R577 IonicContact OE2-NE 3.77Å; E574-R577 IonicContact OE2-NH2 3.96Å; E574-R577 PolarHBondContact OE2-NH2 2.81Å
575	P	80.6	Confident	91.3	Very high	13 Å²	13	56 Å²	56	8%	0.084	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-63.7	134	179	25.1	-35.1	0	0	0	111.2	R577 V608 V617 N619	P575-R577 PolarHBondContact O-N 3.41Å; P575-V608 HydrophobicContact CB-CG1 4.42Å; P575-V617 HydrophobicContact CB-CB 4.13Å; P575-V617 HydrophobicContact CB-CG1 3.91Å; P575-V617 HydrophobicContact CG-CB 3.95Å; P575-V617 HydrophobicContact CG-CG1 3.72Å; P575-N619 VanDerWaalsContact CD-OD1 3.24Å; P575-N619 WeakPolarHBondContact CD-OD1 3.45Å
576	C	74.8	Confident	91.2	Very high	57 Å²	57	56.3 Å²	56.3	39%	0.385	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-54.6	127.5	-175	96.5	0	0	0	0	112.1	D263 E574 R611	D263-C576 PolarHBondContact OD1-SG 2.88Å; E574-C576 PolarHBondContact O-N 2.9Å; C576-R611 PolarHBondContact O-NH1 2.8Å; C576-R611 PolarHBondContact SG-NH1 3.33Å
577	R	74.8	Confident	91.1	Very high	79 Å²	79	54.8 Å²	54.8	30%	0.298	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-86.1	131.3	-166.5	-54.9	176.3	-172.5	131.4	-3.5	110.3	I550 E574 P575	I550-R577 WeakPolarHBondContact O-CD 3.42Å; E574-R577 IonicContact OE1-CZ 3.74Å; E574-R577 VanDerWaalsContact OE1-CZ 3.26Å; E574-R577 IonicContact OE1-NE 3.33Å; E574-R577 PolarHBondContact OE1-NE 2.87Å; E574-R577 IonicContact OE1-NH2 2.88Å; E574-R577 PolarHBondContact OE1-NH2 2.71Å; E574-R577 IonicContact OE2-CZ 2.8Å; E574-R577 IonicContact OE2-NE 3.77Å; E574-R577 IonicContact OE2-NH2 3.96Å; E574-R577 PolarHBondContact OE2-NH2 2.81Å; P575-R577 PolarHBondContact O-N 3.41Å
578	K	78.8	Confident	91	Very high	86 Å²	86	52.1 Å²	52.1	37%	0.374	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-103.7	134.8	161.6	-70.8	-168.3	173.7	-170.6	0	110
579	P	88.7	Confident	90.9	Very high	17 Å²	17	49.3 Å²	49.3	11%	0.11	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-65.8	140.7	168.8	29.4	-35.4	0	0	0	110.2	W262 L547 D549 I581	W262-P579 HydrophobicContact CE3-CG 4.04Å; W262-P579 HydrophobicContact CH2-CG 4.05Å; W262-P579 HydrophobicContact CZ3-CG 3.62Å; L547-P579 HydrophobicContact CD1-CB 3.8Å; D549-P579 HydrophobicContact CB-CB 4.36Å; P579-I581 PolarHBondContact O-N 2.76Å
580	Y	94	Very high	90.9	Very high	20 Å²	20	52.2 Å²	52.2	8%	0.078	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	108.8	167.9	180	-88	0	0	0	109.5	L547 L548 F599 K601 L602 F614	L547-Y580 CarbonylContact C-O 3.58Å; L547-Y580 VanDerWaalsContact CA-O 3.24Å; L547-Y580 WeakPolarHBondContact CA-O 3.43Å; L547-Y580 WeakPolarHBondContact CB-O 3.34Å; L548-Y580 PolarHBondContact N-O 2.9Å; L548-Y580 WeakPolarHBondContact O-CB 3.35Å; L548-Y580 PolarHBondContact O-N 3.41Å; Y580-F599 AromaticContact CD1-CD1 3.56Å; Y580-F599 HydrophobicContact CD1-CD1 3.56Å; Y580-F599 AromaticContact CD1-CE1 3.95Å; Y580-F599 HydrophobicContact CD1-CE1 3.95Å; Y580-F599 AromaticContact CE1-CD1 3.82Å; Y580-F599 HydrophobicContact CE1-CD1 3.82Å; Y580-F599 HydrophobicContact CE1-CE1 4.33Å; Y580-K601 VanDerWaalsContact OH-CB 3.31Å; Y580-K601 WeakPolarHBondContact OH-CB 3.4Å; Y580-L602 HydrophobicContact CD1-CB 4.34Å; Y580-L602 HydrophobicContact CD2-CB 4.08Å; Y580-L602 HydrophobicContact CD2-CD1 3.71Å; Y580-L602 HydrophobicContact CD2-CG 4.4Å; Y580-L602 HydrophobicContact CE2-CB 4.28Å; Y580-L602 HydrophobicContact CG-CB 4.11Å; Y580-L602 HydrophobicContact CG-CD1 3.94Å; Y580-L602 HydrophobicContact CG-CD2 4.36Å; Y580-L602 HydrophobicContact CG-CG 4.36Å; Y580-F614 HydrophobicContact CD2-CB 4.37Å; Y580-F614 HydrophobicContact CE2-CB 3.81Å
581	I	94.8	Very high	90.9	Very high	56 Å²	56	49.5 Å²	49.5	29%	0.287	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.4	172.6	-60	139.3	0	0	0	108.8	I545 L547 P579 L636 M639	I545-I581 HydrophobicContact CG2-CG2 4.03Å; L547-I581 HydrophobicContact CB-CG1 4.34Å; P579-I581 PolarHBondContact O-N 2.76Å; I581-L636 HydrophobicContact CD1-CD1 3.87Å; I581-L636 HydrophobicContact CD1-CD2 4.18Å; I581-L636 HydrophobicContact CG1-CD1 4.26Å; I581-L636 HydrophobicContact CG2-CD1 4.36Å; I581-M639 HydrophobicContact CD1-CE 4.17Å; I581-M639 HydrophobicContact CG1-CE 4.27Å
582	H	95.8	Very high	90.9	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.046	26%	0.261	C	S	.	.			trans	-64.5	130.7	175.9	-168.2	-85	0	0	0	109.2	M546 D584 S585 W592 S598 F599	M546-H582 HydrophobicContact CB-CB 4.06Å; M546-H582 VanDerWaalsContact O-CB 3.22Å; M546-H582 WeakPolarHBondContact O-CB 3.37Å; M546-H582 PolarHBondContact O-N 2.75Å; H582-D584 VanDerWaalsContact CE1-CG 3.42Å; H582-D584 IonicContact CE1-OD1 3.84Å; H582-D584 PolarHBondContact CE1-OD1 3.44Å; H582-D584 VanDerWaalsContact CE1-OD1 3.25Å; H582-D584 IonicContact CE1-OD2 3.26Å; H582-D584 PolarHBondContact ND1-N 3.1Å; H582-D584 IonicContact ND1-OD1 2.77Å; H582-D584 PolarHBondContact ND1-OD1 3.42Å; H582-D584 PolarHBondContact O-N 2.84Å; H582-D584 VanDerWaalsContact O-N 3.07Å; H582-S585 VanDerWaalsContact O-CB 3.24Å; H582-S585 WeakPolarHBondContact O-CB 3.36Å; H582-S585 PolarHBondContact O-N 3.22Å; H582-S585 PolarHBondContact O-OG 3.28Å; H582-W592 HydrophobicContact CB-CH2 4.02Å; H582-W592 AromaticContact CE1-CZ3 3.96Å; H582-W592 AromaticContact CG-CH2 3.94Å; H582-W592 AromaticContact ND1-CH2 3.48Å; H582-W592 WeakPolarHBondContact ND1-CH2 3.26Å; H582-W592 AromaticContact ND1-CZ3 3.49Å; H582-W592 WeakPolarHBondContact ND1-CZ3 3.41Å; H582-S598 PolarHBondContact NE2-N 2.74Å; H582-F599 HydrophobicContact CB-CE1 3.86Å; H582-F599 HydrophobicContact CB-CZ 4.06Å
583	P	94.6	Very high	91	Very high	66 Å²	66	48.7 Å²	48.7	43%	0.429	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.6	-168.6	25	-35.5	0	0	0	114.3	S585 K601	P583-S585 PolarHBondContact O-N 2.78Å; P583-K601 HydrophobicContact CG-CD 4.06Å
584	D	95.5	Very high	91.2	Very high	55 Å²	55	50.7 Å²	50.7	29%	0.294	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	3.9	173.7	-52.1	31.2	0	0	0	112.4	H582 T587 W592 K595	H582-D584 VanDerWaalsContact CE1-CG 3.42Å; H582-D584 IonicContact CE1-OD1 3.84Å; H582-D584 PolarHBondContact CE1-OD1 3.44Å; H582-D584 VanDerWaalsContact CE1-OD1 3.25Å; H582-D584 IonicContact CE1-OD2 3.26Å; H582-D584 PolarHBondContact ND1-N 3.1Å; H582-D584 IonicContact ND1-OD1 2.77Å; H582-D584 PolarHBondContact ND1-OD1 3.42Å; H582-D584 PolarHBondContact O-N 2.84Å; H582-D584 VanDerWaalsContact O-N 3.07Å; D584-T587 WeakPolarHBondContact O-CB 3.5Å; D584-T587 PolarHBondContact O-OG1 2.63Å; D584-W592 HydrophobicContact CB-CH2 3.84Å; D584-W592 HydrophobicContact CB-CZ3 4.11Å; D584-K595 WeakPolarHBondContact OD2-CE 3.34Å; D584-K595 IonicContact OD2-NZ 3.78Å; D584-K595 PolarHBondContact OD2-NZ 2.86Å
585	S	94.9	Very high	91.7	Very high	25 Å²	25	52.2 Å²	52.2	18%	0.175	27%	0.265	C	S	.	.			trans	-91.1	147.8	-179.1	-48.7	0	0	0	0	113.1	M546 H582 P583 W592	M546-S585 PolarHBondContact N-OG 2.95Å; M546-S585 PolarHBondContact O-OG 2.89Å; H582-S585 VanDerWaalsContact O-CB 3.24Å; H582-S585 WeakPolarHBondContact O-CB 3.36Å; H582-S585 PolarHBondContact O-N 3.22Å; H582-S585 PolarHBondContact O-OG 3.28Å; P583-S585 PolarHBondContact O-N 2.78Å; S585-W592 WeakPolarHBondContact OG-CZ2 3.48Å
586	P	95.5	Very high	92.4	Very high	46 Å²	46	55.1 Å²	55.1	30%	0.299	28%	0.284	S	S	.	.	S	Bend	cis	-81	137.4	-7.2	31.6	-32.6	0	0	0	112	I545 D634	I545-P586 HydrophobicContact CG1-CB 3.82Å; P586-D634 VanDerWaalsContact CG-O 3.24Å; P586-D634 WeakPolarHBondContact CG-O 3.19Å
587	T	95.6	Very high	93.5	Very high	22 Å²	22	52.5 Å²	52.5	14%	0.135	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	158.9	-176.2	-103.5	0	0	0	0	111.1	K543 Y544 D584 E591 W592	K543-T587 WeakPolarHBondContact CA-O 3.32Å; Y544-T587 PolarHBondContact N-O 3Å; Y544-T587 PolarHBondContact O-N 2.92Å; Y544-T587 VanDerWaalsContact O-N 3.13Å; D584-T587 WeakPolarHBondContact O-CB 3.5Å; D584-T587 PolarHBondContact O-OG1 2.63Å; T587-E591 HydrophobicContact CG2-CB 3.39Å; T587-E591 HydrophobicContact CG2-CG 4.29Å; T587-E591 WeakPolarHBondContact CG2-OE2 3.33Å; T587-E591 PolarHBondContact OG1-OE2 3.29Å; T587-W592 HydrophobicContact CG2-CD2 3.85Å; T587-W592 HydrophobicContact CG2-CG 3.97Å; T587-W592 HydrophobicContact CG2-CZ2 4.22Å; T587-W592 VanDerWaalsContact O-CD1 3.31Å; T587-W592 PolarHBondContact O-NE1 3.33Å
588	T	96	Very high	94.6	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.209	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	151.7	-178.3	62.4	0	0	0	0	112.7	A542 E590 E591 W592	A542-T588 CarbonylContact O-C 3.57Å; A542-T588 WeakPolarHBondContact O-CA 3.27Å; T588-E590 PolarHBondContact O-N 2.95Å; T588-E591 PolarHBondContact O-N 3.07Å; T588-E591 WeakPolarHBondContact OG1-CB 3.33Å; T588-E591 VanDerWaalsContact OG1-CD 3.31Å; T588-E591 WeakPolarHBondContact OG1-CG 3.36Å; T588-E591 PolarHBondContact OG1-N 2.99Å; T588-E591 PolarHBondContact OG1-OE1 3.29Å; T588-W592 PolarHBondContact O-N 3.32Å
589	G	95.2	Very high	95.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-30.6	175.2	0	0	0	0	0	113.2	D539 R540 A542 M593	D539-G589 WeakPolarHBondContact O-CA 3.24Å; R540-G589 PolarHBondContact O-N 3.02Å; A542-G589 PolarHBondContact O-N 3.02Å; G589-M593 WeakPolarHBondContact O-CB 3.33Å; G589-M593 WeakPolarHBondContact O-CE 3.34Å; G589-M593 VanDerWaalsContact O-CG 3.25Å; G589-M593 WeakPolarHBondContact O-CG 3.33Å; G589-M593 PolarHBondContact O-N 3.16Å
590	E	96.1	Very high	95.6	Very high	95 Å²	95	49 Å²	49	44%	0.444	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-48.8	174.6	-175.1	154.8	-109	0	0	112.4	R540 T588 W592 M593 H594	R540-E590 HydrophobicContact CB-CB 4.03Å; R540-E590 WeakPolarHBondContact CD-OE1 3.47Å; R540-E590 HydrophobicContact CG-CB 4.28Å; R540-E590 IonicContact CZ-OE1 3.72Å; R540-E590 IonicContact NE-OE1 2.71Å; R540-E590 IonicContact NH1-OE1 2.85Å; R540-E590 PolarHBondContact NH1-OE1 2.84Å; R540-E590 PolarHBondContact O-N 2.92Å; T588-E590 PolarHBondContact O-N 2.95Å; E590-W592 VanDerWaalsContact C-N 3.33Å; E590-W592 PolarHBondContact O-N 3.49Å; E590-M593 PolarHBondContact O-N 3.1Å; E590-H594 WeakPolarHBondContact O-CB 3.07Å; E590-H594 PolarHBondContact O-N 3.36Å
591	E	96.5	Very high	95.6	Very high	97 Å²	97	52.5 Å²	52.5	45%	0.453	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-36.7	175.7	-78.2	167	-113.4	0	0	112.9	T587 T588 H594	T587-E591 HydrophobicContact CG2-CB 3.39Å; T587-E591 HydrophobicContact CG2-CG 4.29Å; T587-E591 WeakPolarHBondContact CG2-OE2 3.33Å; T587-E591 PolarHBondContact OG1-OE2 3.29Å; T588-E591 PolarHBondContact O-N 3.07Å; T588-E591 WeakPolarHBondContact OG1-CB 3.33Å; T588-E591 VanDerWaalsContact OG1-CD 3.31Å; T588-E591 WeakPolarHBondContact OG1-CG 3.36Å; T588-E591 PolarHBondContact OG1-N 2.99Å; T588-E591 PolarHBondContact OG1-OE1 3.29Å; E591-H594 PolarHBondContact O-N 3.43Å
592	W	96.5	Very high	95.6	Very high	1 Å²	1	50 Å²	50	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-35.6	174.5	-74.3	127.4	0	0	0	113.2	L538 Y544 M546 H582 D584 S585 T587 T588 E590 I597	L538-W592 HydrophobicContact CD1-CB 3.9Å; Y544-W592 PolarHBondContact O-NE1 3.23Å; M546-W592 HydrophobicContact CB-CH2 3.72Å; M546-W592 HydrophobicContact CB-CZ2 3.84Å; M546-W592 HydrophobicContact CB-CZ3 4.08Å; M546-W592 HydrophobicContact CE-CB 3.93Å; M546-W592 HydrophobicContact CE-CD2 3.9Å; M546-W592 HydrophobicContact CE-CG 3.55Å; M546-W592 HydrophobicContact CG-CD2 3.52Å; M546-W592 HydrophobicContact CG-CE3 3.74Å; M546-W592 HydrophobicContact CG-CG 4.21Å; M546-W592 HydrophobicContact CG-CH2 3.62Å; M546-W592 HydrophobicContact CG-CZ2 3.39Å; M546-W592 HydrophobicContact CG-CZ3 3.79Å; H582-W592 HydrophobicContact CB-CH2 4.02Å; H582-W592 AromaticContact CE1-CZ3 3.96Å; H582-W592 AromaticContact CG-CH2 3.94Å; H582-W592 AromaticContact ND1-CH2 3.48Å; H582-W592 WeakPolarHBondContact ND1-CH2 3.26Å; H582-W592 AromaticContact ND1-CZ3 3.49Å; H582-W592 WeakPolarHBondContact ND1-CZ3 3.41Å; D584-W592 HydrophobicContact CB-CH2 3.84Å; D584-W592 HydrophobicContact CB-CZ3 4.11Å; S585-W592 WeakPolarHBondContact OG-CZ2 3.48Å; T587-W592 HydrophobicContact CG2-CD2 3.85Å; T587-W592 HydrophobicContact CG2-CG 3.97Å; T587-W592 HydrophobicContact CG2-CZ2 4.22Å; T587-W592 VanDerWaalsContact O-CD1 3.31Å; T587-W592 PolarHBondContact O-NE1 3.33Å; T588-W592 PolarHBondContact O-N 3.32Å; E590-W592 VanDerWaalsContact C-N 3.33Å; E590-W592 PolarHBondContact O-N 3.49Å; W592-I597 HydrophobicContact CB-CD1 4.47Å; W592-I597 HydrophobicContact CD2-CD1 4.32Å; W592-I597 HydrophobicContact CE3-CD1 3.73Å; W592-I597 HydrophobicContact CE3-CG1 3.91Å; W592-I597 HydrophobicContact CE3-CG2 4.38Å; W592-I597 HydrophobicContact CZ3-CD1 4.37Å; W592-I597 HydrophobicContact CZ3-CG1 4.4Å; W592-I597 HydrophobicContact CZ3-CG2 4.02Å
593	M	96.5	Very high	95.6	Very high	58 Å²	58	52.2 Å²	52.2	29%	0.286	27%	0.268	S	S	.	.	H	α-helix	trans	-80.1	-21.4	176.2	-69.5	-172.8	-71	0	0	112.8	G537 L538 R540 G589 E590 K595	G537-M593 PolarHBondContact N-SD 3.22Å; L538-M593 HydrophobicContact CB-CE 4.08Å; L538-M593 HydrophobicContact CB-CG 4.49Å; L538-M593 HydrophobicContact CB-SD 4.17Å; L538-M593 HydrophobicContact CD1-CG 4.33Å; L538-M593 HydrophobicContact CG-CG 4.45Å; L538-M593 VanDerWaalsContact O-CE 3.27Å; L538-M593 WeakPolarHBondContact O-CE 3.45Å; R540-M593 HydrophobicContact CG-CE 4.07Å; G589-M593 WeakPolarHBondContact O-CB 3.33Å; G589-M593 WeakPolarHBondContact O-CE 3.34Å; G589-M593 VanDerWaalsContact O-CG 3.25Å; G589-M593 WeakPolarHBondContact O-CG 3.33Å; G589-M593 PolarHBondContact O-N 3.16Å; E590-M593 PolarHBondContact O-N 3.1Å; M593-K595 VanDerWaalsContact C-N 3.34Å; M593-K595 PolarHBondContact O-N 2.89Å
594	H	95.3	Very high	95.7	Very high	167 Å²	167	49.1 Å²	49.1	77%	0.773	25%	0.248	S	C	*	.	H	α-helix	trans	-66.1	-30.9	-177.8	-175.3	80.1	0	0	0	113.8	E590 E591	E590-H594 WeakPolarHBondContact O-CB 3.07Å; E590-H594 PolarHBondContact O-N 3.36Å; E591-H594 PolarHBondContact O-N 3.43Å
595	K	94.9	Very high	95.7	Very high	92 Å²	92	46.5 Å²	46.5	40%	0.4	23%	0.234	S	C	.	.	S	Bend	trans	-141.4	151	-174.3	72.4	-166.8	-176.4	-168	0	112.1	D584 M593 I597	D584-K595 WeakPolarHBondContact OD2-CE 3.34Å; D584-K595 IonicContact OD2-NZ 3.78Å; D584-K595 PolarHBondContact OD2-NZ 2.86Å; M593-K595 VanDerWaalsContact C-N 3.34Å; M593-K595 PolarHBondContact O-N 2.89Å; K595-I597 PolarHBondContact O-N 3.24Å
596	P	96.3	Very high	95.6	Very high	74 Å²	74	46.6 Å²	46.6	48%	0.481	23%	0.233	S	C	.	.			trans	-52.9	127.3	167.9	-31.4	39.1	0	0	0	113.9	L503	L503-P596 HydrophobicContact CD1-CB 3.57Å; L503-P596 HydrophobicContact CD1-CG 3.77Å
597	I	97.4	Very high	95.4	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	130.2	174.4	-47.8	-177.3	0	0	0	107.8	K532 V533 V535 M546 W592 K595 F599 F628	K532-I597 CarbonylContact C-O 3.53Å; K532-I597 VanDerWaalsContact CA-O 3.24Å; K532-I597 WeakPolarHBondContact CA-O 3.49Å; V533-I597 HydrophobicContact CG2-CB 3.94Å; V533-I597 HydrophobicContact CG2-CD1 4.46Å; V533-I597 PolarHBondContact N-O 3.31Å; V533-I597 PolarHBondContact O-N 2.82Å; V535-I597 HydrophobicContact CB-CD1 4.33Å; V535-I597 HydrophobicContact CG2-CD1 3.65Å; M546-I597 HydrophobicContact CE-CD1 4.1Å; M546-I597 HydrophobicContact CG-CD1 4.02Å; M546-I597 HydrophobicContact SD-CD1 3.99Å; W592-I597 HydrophobicContact CB-CD1 4.47Å; W592-I597 HydrophobicContact CD2-CD1 4.32Å; W592-I597 HydrophobicContact CE3-CD1 3.73Å; W592-I597 HydrophobicContact CE3-CG1 3.91Å; W592-I597 HydrophobicContact CE3-CG2 4.38Å; W592-I597 HydrophobicContact CZ3-CD1 4.37Å; W592-I597 HydrophobicContact CZ3-CG1 4.4Å; W592-I597 HydrophobicContact CZ3-CG2 4.02Å; K595-I597 PolarHBondContact O-N 3.24Å; I597-F599 HydrophobicContact CG2-CD2 4.41Å; I597-F599 HydrophobicContact CG2-CE2 3.69Å; I597-F599 HydrophobicContact CG2-CZ 4.15Å; I597-F628 HydrophobicContact CD1-CZ 4.18Å
598	S	97	Very high	94.9	Very high	30 Å²	30	47.5 Å²	47.5	21%	0.21	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	99	-161.9	-178.9	0	0	0	0	113	H582 H600	H582-S598 PolarHBondContact NE2-N 2.74Å; S598-H600 PolarHBondContact O-N 2.72Å; S598-H600 PolarHBondContact O-ND1 2.95Å; S598-H600 PolarHBondContact OG-ND1 2.98Å; S598-H600 VanDerWaalsContact OG-ND1 3.12Å
599	F	96.7	Very high	94.2	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	26%	0.263	C	S	.	.			trans	-76.8	17.9	-177.4	-69.2	-87.1	0	0	0	114.1	F531 L548 Y580 H582 I597 K601 L602 F628	F531-F599 HydrophobicContact CB-CB 4.39Å; F531-F599 AromaticContact CD1-CD2 3.9Å; F531-F599 HydrophobicContact CD1-CD2 3.9Å; F531-F599 HydrophobicContact CD1-CG 4.49Å; F531-F599 HydrophobicContact CE1-CD2 4.43Å; F531-F599 PolarHBondContact O-N 3.15Å; L548-F599 HydrophobicContact CB-CD1 3.58Å; L548-F599 HydrophobicContact CB-CE1 3.59Å; L548-F599 HydrophobicContact CB-CG 4.07Å; L548-F599 HydrophobicContact CB-CZ 4.09Å; L548-F599 HydrophobicContact CD2-CB 3.95Å; L548-F599 HydrophobicContact CD2-CD1 4.19Å; L548-F599 HydrophobicContact CD2-CG 3.99Å; L548-F599 HydrophobicContact CG-CD1 4.46Å; Y580-F599 AromaticContact CD1-CD1 3.56Å; Y580-F599 HydrophobicContact CD1-CD1 3.56Å; Y580-F599 AromaticContact CD1-CE1 3.95Å; Y580-F599 HydrophobicContact CD1-CE1 3.95Å; Y580-F599 AromaticContact CE1-CD1 3.82Å; Y580-F599 HydrophobicContact CE1-CD1 3.82Å; Y580-F599 HydrophobicContact CE1-CE1 4.33Å; H582-F599 HydrophobicContact CB-CE1 3.86Å; H582-F599 HydrophobicContact CB-CZ 4.06Å; I597-F599 HydrophobicContact CG2-CD2 4.41Å; I597-F599 HydrophobicContact CG2-CE2 3.69Å; I597-F599 HydrophobicContact CG2-CZ 4.15Å; F599-K601 PolarHBondContact O-N 3.03Å; F599-L602 WeakPolarHBondContact O-CB 3.31Å; F599-L602 PolarHBondContact O-N 3.46Å; F599-F628 AromaticContact CE2-CD2 3.63Å; F599-F628 HydrophobicContact CE2-CD2 3.63Å; F599-F628 AromaticContact CE2-CE2 3.67Å; F599-F628 HydrophobicContact CE2-CE2 3.67Å; F599-F628 AromaticContact CZ-CD2 3.8Å; F599-F628 HydrophobicContact CZ-CD2 3.8Å; F599-F628 AromaticContact CZ-CE2 3.77Å; F599-F628 HydrophobicContact CZ-CE2 3.77Å
600	H	93	Very high	92.8	Very high	77 Å²	77	55.2 Å²	55.2	36%	0.356	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-13.9	-178.6	75.1	-74.1	0	0	0	116	R526 S598	R526-H600 WeakPolarHBondContact CD-O 3.45Å; R526-H600 WeakPolarHBondContact CG-O 3.39Å; R526-H600 PolarHBondContact NE-O 3.2Å; R526-H600 VanDerWaalsContact NE-O 3.14Å; S598-H600 PolarHBondContact O-N 2.72Å; S598-H600 PolarHBondContact O-ND1 2.95Å; S598-H600 PolarHBondContact OG-ND1 2.98Å; S598-H600 VanDerWaalsContact OG-ND1 3.12Å
601	K	93.2	Very high	91.6	Very high	95 Å²	95	54.3 Å²	54.3	41%	0.413	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-27.1	175.9	-76.9	173.6	-178.7	172.9	0	112.7	Y580 P583 F599	Y580-K601 VanDerWaalsContact OH-CB 3.31Å; Y580-K601 WeakPolarHBondContact OH-CB 3.4Å; P583-K601 HydrophobicContact CG-CD 4.06Å; F599-K601 PolarHBondContact O-N 3.03Å
602	L	94.9	Very high	90.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.271	C	S	.	.			trans	-58.5	136.5	177.9	175.6	58.7	0	0	0	110.8	M527 L548 I550 Y580 F599 A616	M527-L602 HydrophobicContact CE-CD2 3.96Å; M527-L602 HydrophobicContact CE-CG 4.46Å; L548-L602 HydrophobicContact CD2-CD2 3.87Å; I550-L602 HydrophobicContact CD1-CD2 4.14Å; Y580-L602 HydrophobicContact CD1-CB 4.34Å; Y580-L602 HydrophobicContact CD2-CB 4.08Å; Y580-L602 HydrophobicContact CD2-CD1 3.71Å; Y580-L602 HydrophobicContact CD2-CG 4.4Å; Y580-L602 HydrophobicContact CE2-CB 4.28Å; Y580-L602 HydrophobicContact CG-CB 4.11Å; Y580-L602 HydrophobicContact CG-CD1 3.94Å; Y580-L602 HydrophobicContact CG-CD2 4.36Å; Y580-L602 HydrophobicContact CG-CG 4.36Å; F599-L602 WeakPolarHBondContact O-CB 3.31Å; F599-L602 PolarHBondContact O-N 3.46Å; L602-A616 HydrophobicContact CD1-CB 4.12Å
603	K	95.5	Very high	90	Very high	57 Å²	57	57.4 Å²	57.4	25%	0.248	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.8	174.6	-77.1	171.2	157.6	-160.5	0	110.5	S523 G524 R525 R526 F614 Q615 A616	S523-K603 PolarHBondContact O-NZ 2.71Å; G524-K603 WeakPolarHBondContact O-CD 3.25Å; G524-K603 VanDerWaalsContact O-CE 3.24Å; G524-K603 WeakPolarHBondContact O-CE 3.37Å; G524-K603 WeakPolarHBondContact O-CG 3.27Å; R525-K603 CarbonylContact O-C 3.49Å; R525-K603 WeakPolarHBondContact O-CA 3.24Å; R526-K603 HydrophobicContact CG-CG 4.44Å; K603-F614 HydrophobicContact CD-CD2 4.04Å; K603-F614 HydrophobicContact CD-CE2 3.96Å; K603-F614 PolarHBondContact N-O 2.96Å; K603-F614 VanDerWaalsContact N-O 3.15Å; K603-Q615 HydrophobicContact CB-CG 4.11Å; K603-Q615 HydrophobicContact CD-CG 4.32Å; K603-Q615 CarbonylContact O-C 3.57Å; K603-Q615 WeakPolarHBondContact O-CA 3.5Å; K603-A616 PolarHBondContact O-N 3.2Å
604	L	96.2	Very high	89.4	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.1	170	-48.1	-173.2	0	0	0	109.6	M518 I520 G524 R525 M527 I550 A616 L618 F654	M518-L604 HydrophobicContact CB-CD1 3.72Å; M518-L604 HydrophobicContact CG-CD1 4.28Å; I520-L604 HydrophobicContact CG2-CB 3.78Å; I520-L604 HydrophobicContact CG2-CD1 4.48Å; G524-L604 CarbonylContact C-O 3.47Å; G524-L604 WeakPolarHBondContact CA-O 3.22Å; R525-L604 PolarHBondContact N-O 2.82Å; R525-L604 PolarHBondContact O-N 2.96Å; M527-L604 HydrophobicContact CG-CD1 3.86Å; M527-L604 HydrophobicContact CG-CD2 4.13Å; M527-L604 HydrophobicContact CG-CG 3.97Å; M527-L604 HydrophobicContact SD-CD2 4.36Å; I550-L604 HydrophobicContact CD1-CD2 3.43Å; I550-L604 VanDerWaalsContact CD1-CD2 3.43Å; L604-A616 WeakPolarHBondContact CA-O 3.24Å; L604-A616 HydrophobicContact CD2-CB 4.14Å; L604-L618 HydrophobicContact CB-CD1 4.19Å; L604-L618 HydrophobicContact CD1-CD1 3.95Å; L604-L618 HydrophobicContact CD2-CD1 4.04Å; L604-L618 HydrophobicContact CG-CD1 4.28Å; L604-F654 HydrophobicContact CD1-CE2 3.98Å; L604-F654 HydrophobicContact CD1-CZ 3.91Å
605	T	95.5	Very high	89.2	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	158.4	-177.9	-165.4	0	0	0	0	111	T521 N607 Q615 A616 V617 L618	T521-T605 PolarHBondContact O-OG1 2.87Å; T605-N607 WeakPolarHBondContact OG1-CB 3.44Å; T605-N607 PolarHBondContact OG1-N 2.81Å; T605-Q615 HydrophobicContact CG2-CB 3.97Å; T605-Q615 PolarHBondContact OG1-OE1 2.87Å; T605-A616 PolarHBondContact N-O 2.59Å; T605-V617 HydrophobicContact CG2-CB 4.23Å; T605-V617 HydrophobicContact CG2-CG1 4.4Å; T605-V617 HydrophobicContact CG2-CG2 3.87Å; T605-V617 CarbonylContact O-C 3.56Å; T605-V617 WeakPolarHBondContact O-CA 3.29Å; T605-L618 PolarHBondContact O-N 2.85Å
606	N	94.2	Very high	89.1	Confident	27 Å²	27	47.6 Å²	47.6	14%	0.144	26%	0.261	C	S	.	.			trans	-102.9	-6.5	168.2	48.2	3.1	0	0	0	111.7	E65 I520 K522 V608	E65-N606 PolarHBondContact OE1-ND2 3.03Å; E65-N606 PolarHBondContact OE2-ND2 2.83Å; I520-N606 HydrophobicContact CD1-CB 3.82Å; I520-N606 HydrophobicContact CG1-CB 4.14Å; K522-N606 WeakPolarHBondContact CA-OD1 3.34Å; K522-N606 PolarHBondContact N-OD1 2.97Å; N606-V608 PolarHBondContact O-N 2.97Å
607	N	91.3	Very high	89	Confident	21 Å²	21	44.9 Å²	44.9	11%	0.112	24%	0.243	C	C	.	.			trans	-76.2	106.7	-179.2	-170.4	-9.9	0	0	0	111.1	K522 T605 A609 E610	K522-N607 HydrophobicContact CG-CB 4.06Å; T605-N607 WeakPolarHBondContact OG1-CB 3.44Å; T605-N607 PolarHBondContact OG1-N 2.81Å; N607-A609 PolarHBondContact OD1-N 2.86Å; N607-A609 VanDerWaalsContact OD1-N 3.16Å; N607-E610 VanDerWaalsContact ND2-CB 3.33Å; N607-E610 WeakPolarHBondContact ND2-CB 3.44Å; N607-E610 PolarHBondContact OD1-N 3.12Å
608	V	85.2	Confident	88.9	Confident	67 Å²	67	44.9 Å²	44.9	41%	0.406	24%	0.243	S	C	.	.	S	Bend	trans	-76	-28.4	179.3	-174.1	0	0	0	0	112.5	P575 N606 R611 V617	P575-V608 HydrophobicContact CB-CG1 4.42Å; N606-V608 PolarHBondContact O-N 2.97Å; V608-R611 WeakPolarHBondContact O-CG 3.33Å; V608-R611 PolarHBondContact O-NE 3.01Å; V608-V617 HydrophobicContact CG2-CG1 4.02Å
609	A	80.1	Confident	88.9	Confident	93 Å²	93	44.7 Å²	44.7	77%	0.769	24%	0.239	S	C	*	.	S	Bend	trans	-75.6	-49	-177	0	0	0	0	0	112.4	N607 R611	N607-A609 PolarHBondContact OD1-N 2.86Å; N607-A609 VanDerWaalsContact OD1-N 3.16Å; A609-R611 PolarHBondContact O-N 3.33Å; A609-R611 VanDerWaalsContact O-N 3.1Å
610	E	66.5	Low	88.9	Confident	102 Å²	102	46.1 Å²	46.1	48%	0.477	25%	0.249	S	C	.	.			trans	-91.3	63.3	-172	-154.3	-167.5	163.6	0	0	113.1	N607 Q612	N607-E610 VanDerWaalsContact ND2-CB 3.33Å; N607-E610 WeakPolarHBondContact ND2-CB 3.44Å; N607-E610 PolarHBondContact OD1-N 3.12Å; E610-Q612 VanDerWaalsContact C-N 3.26Å; E610-Q612 HydrophobicContact CG-CG 4.33Å; E610-Q612 PolarHBondContact O-N 2.97Å; E610-Q612 PolarHBondContact OE1-NE2 3.02Å
611	R	70.3	Confident	89.2	Confident	76 Å²	76	44 Å²	44	29%	0.287	24%	0.24	S	C	.	.			trans	-75.1	67.4	-175.3	-51.8	-156.6	-162.2	169.4	15.3	114.2	C576 V608 A609 V617	C576-R611 PolarHBondContact O-NH1 2.8Å; C576-R611 PolarHBondContact SG-NH1 3.33Å; V608-R611 WeakPolarHBondContact O-CG 3.33Å; V608-R611 PolarHBondContact O-NE 3.01Å; A609-R611 PolarHBondContact O-N 3.33Å; A609-R611 VanDerWaalsContact O-N 3.1Å; R611-V617 HydrophobicContact CG-CG2 4.02Å
612	Q	80.5	Confident	89.4	Confident	63 Å²	63	39.6 Å²	39.6	29%	0.294	22%	0.221	S	C	.	.			trans	-61.5	139.9	171	-61.2	177.1	-3.3	0	0	111	E610 F614 Q615	E610-Q612 VanDerWaalsContact C-N 3.26Å; E610-Q612 HydrophobicContact CG-CG 4.33Å; E610-Q612 PolarHBondContact O-N 2.97Å; E610-Q612 PolarHBondContact OE1-NE2 3.02Å; Q612-F614 HydrophobicContact CB-CE1 4.22Å; Q612-F614 HydrophobicContact CB-CZ 4.24Å; Q612-F614 PolarHBondContact O-N 3.48Å; Q612-F614 VanDerWaalsContact OE1-CE2 3.26Å; Q612-Q615 HydrophobicContact CB-CG 4.14Å; Q612-Q615 VanDerWaalsContact CD-NE2 3.35Å; Q612-Q615 PolarHBondContact O-N 3.05Å
613	S	78.5	Confident	89.6	Confident	101 Å²	101	41.2 Å²	41.2	71%	0.706	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-17	-171.9	56.1	0	0	0	0	116.2
614	F	84.8	Confident	89.7	Confident	81 Å²	81	38.5 Å²	38.5	36%	0.355	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.3	177	57.6	-97.2	0	0	0	114.1	Y580 K603 Q612	Y580-F614 HydrophobicContact CD2-CB 4.37Å; Y580-F614 HydrophobicContact CE2-CB 3.81Å; K603-F614 HydrophobicContact CD-CD2 4.04Å; K603-F614 HydrophobicContact CD-CE2 3.96Å; K603-F614 PolarHBondContact N-O 2.96Å; K603-F614 VanDerWaalsContact N-O 3.15Å; Q612-F614 HydrophobicContact CB-CE1 4.22Å; Q612-F614 HydrophobicContact CB-CZ 4.24Å; Q612-F614 PolarHBondContact O-N 3.48Å; Q612-F614 VanDerWaalsContact OE1-CE2 3.26Å
615	Q	91.3	Very high	89.8	Confident	16 Å²	16	38.8 Å²	38.8	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.7	177.7	-54.6	-161.4	45.8	0	0	111.5	G524 K603 T605 Q612	G524-Q615 VanDerWaalsContact CA-OE1 3.29Å; K603-Q615 HydrophobicContact CB-CG 4.11Å; K603-Q615 HydrophobicContact CD-CG 4.32Å; K603-Q615 CarbonylContact O-C 3.57Å; K603-Q615 WeakPolarHBondContact O-CA 3.5Å; T605-Q615 HydrophobicContact CG2-CB 3.97Å; T605-Q615 PolarHBondContact OG1-OE1 2.87Å; Q612-Q615 HydrophobicContact CB-CG 4.14Å; Q612-Q615 VanDerWaalsContact CD-NE2 3.35Å; Q612-Q615 PolarHBondContact O-N 3.05Å
616	A	93.2	Very high	89.9	Confident	14 Å²	14	38.8 Å²	38.8	12%	0.116	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.8	164.2	0	0	0	0	0	108.8	I550 L602 K603 L604 T605	I550-A616 HydrophobicContact CD1-CB 4.15Å; L602-A616 HydrophobicContact CD1-CB 4.12Å; K603-A616 PolarHBondContact O-N 3.2Å; L604-A616 WeakPolarHBondContact CA-O 3.24Å; L604-A616 HydrophobicContact CD2-CB 4.14Å; T605-A616 PolarHBondContact N-O 2.59Å
617	V	94.4	Very high	90	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.097	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	130.1	173.1	-166.2	0	0	0	0	108.4	P575 T605 V608 R611	P575-V617 HydrophobicContact CB-CB 4.13Å; P575-V617 HydrophobicContact CB-CG1 3.91Å; P575-V617 HydrophobicContact CG-CB 3.95Å; P575-V617 HydrophobicContact CG-CG1 3.72Å; T605-V617 HydrophobicContact CG2-CB 4.23Å; T605-V617 HydrophobicContact CG2-CG1 4.4Å; T605-V617 HydrophobicContact CG2-CG2 3.87Å; T605-V617 CarbonylContact O-C 3.56Å; T605-V617 WeakPolarHBondContact O-CA 3.29Å; V608-V617 HydrophobicContact CG2-CG1 4.02Å; R611-V617 HydrophobicContact CG-CG2 4.02Å
618	L	95.6	Very high	90.2	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	22%	0.216	C	C	.	.			trans	-138.7	144.9	-178.1	-57.6	177.3	0	0	0	110	I520 I550 L604 T605 Y624 F654 A656	I520-L618 HydrophobicContact CG2-CD1 4.46Å; I550-L618 HydrophobicContact CB-CD2 4.32Å; I550-L618 HydrophobicContact CG2-CD1 4.33Å; I550-L618 HydrophobicContact CG2-CD2 3.76Å; L604-L618 HydrophobicContact CB-CD1 4.19Å; L604-L618 HydrophobicContact CD1-CD1 3.95Å; L604-L618 HydrophobicContact CD2-CD1 4.04Å; L604-L618 HydrophobicContact CG-CD1 4.28Å; T605-L618 PolarHBondContact O-N 2.85Å; L618-Y624 HydrophobicContact CB-CD2 4.47Å; L618-Y624 HydrophobicContact CB-CE2 3.82Å; L618-Y624 HydrophobicContact CD1-CD2 4.18Å; L618-Y624 HydrophobicContact CD1-CE2 4.35Å; L618-Y624 HydrophobicContact CD1-CG 4.48Å; L618-Y624 HydrophobicContact CD2-CD1 3.77Å; L618-Y624 HydrophobicContact CD2-CD2 4.27Å; L618-Y624 HydrophobicContact CD2-CE1 3.64Å; L618-Y624 HydrophobicContact CD2-CE2 4.12Å; L618-Y624 HydrophobicContact CD2-CG 4.11Å; L618-Y624 HydrophobicContact CG-CE2 4.32Å; L618-F654 HydrophobicContact CD1-CE2 4.01Å; L618-F654 HydrophobicContact CD1-CZ 3.88Å; L618-A656 HydrophobicContact CB-CB 4.35Å; L618-A656 HydrophobicContact CD1-CB 4.36Å
619	N	96.4	Very high	90.7	Very high	25 Å²	25	36.2 Å²	36.2	13%	0.134	20%	0.197	C	C	.	.			trans	-77.3	138.7	174.1	-65.7	-11	0	0	0	109.8	D572 P573 P575 H622 Y624	D572-N619 PolarHBondContact O-ND2 3.39Å; D572-N619 VanDerWaalsContact O-ND2 3.14Å; P573-N619 PolarHBondContact O-ND2 3.43Å; P575-N619 VanDerWaalsContact CD-OD1 3.24Å; P575-N619 WeakPolarHBondContact CD-OD1 3.45Å; N619-H622 HydrophobicContact CB-CB 4.43Å; N619-H622 WeakPolarHBondContact CB-ND1 3.19Å; N619-Y624 PolarHBondContact N-OH 2.71Å
620	S	97.4	Very high	91.4	Very high	31 Å²	31	31.9 Å²	31.9	22%	0.217	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	148	177.3	-166.6	0	0	0	0	110.7	H622	S620-H622 PolarHBondContact O-N 3.13Å; S620-H622 PolarHBondContact O-ND1 3.1Å
621	M	98	Very high	92.7	Very high	34 Å²	34	27 Å²	27	17%	0.167	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	20.9	180	-45.9	-60.4	-78.2	0	0	115.1	Y558 W565 A656 V657 Q661	Y558-M621 WeakPolarHBondContact CB-O 3.32Å; Y558-M621 PolarHBondContact N-O 2.67Å; Y558-M621 WeakPolarHBondContact O-CB 3.28Å; W565-M621 HydrophobicContact CH2-CE 3.86Å; W565-M621 HydrophobicContact CH2-SD 4.42Å; W565-M621 HydrophobicContact CZ3-CE 3.65Å; M621-A656 VanDerWaalsContact CA-O 3.32Å; M621-A656 WeakPolarHBondContact CA-O 3.41Å; M621-A656 PolarHBondContact N-O 3.3Å; M621-V657 HydrophobicContact SD-CB 4.48Å; M621-V657 HydrophobicContact SD-CG1 4.01Å; M621-Q661 HydrophobicContact CE-CG 4.33Å
622	H	98.1	Very high	93.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	153.5	174.6	-70.4	74	0	0	0	111.6	A571 D572 N619 S620 Y624 I655 A656	A571-H622 WeakPolarHBondContact CA-NE2 3.39Å; D572-H622 PolarHBondContact N-NE2 2.89Å; D572-H622 IonicContact OD2-CE1 2.65Å; D572-H622 PolarHBondContact OD2-CE1 2.97Å; N619-H622 HydrophobicContact CB-CB 4.43Å; N619-H622 WeakPolarHBondContact CB-ND1 3.19Å; S620-H622 PolarHBondContact O-N 3.13Å; S620-H622 PolarHBondContact O-ND1 3.1Å; H622-Y624 HydrophobicContact CB-CD2 4.44Å; H622-Y624 HydrophobicContact CB-CE2 3.57Å; H622-Y624 WeakPolarHBondContact O-CD2 3.29Å; H622-I655 WeakPolarHBondContact O-CA 3.42Å; H622-A656 PolarHBondContact O-N 3.49Å
623	K	98.1	Very high	94.3	Very high	36 Å²	36	25.8 Å²	25.8	16%	0.157	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.7	-177.9	-175.5	-168.1	-85.5	-153.9	0	111	S552 R553 Y558 E653 F654 I655	S552-K623 WeakPolarHBondContact CA-O 3.39Å; R553-K623 HydrophobicContact CB-CB 4.42Å; R553-K623 HydrophobicContact CB-CD 3.83Å; R553-K623 HydrophobicContact CB-CG 3.84Å; R553-K623 HydrophobicContact CG-CD 3.68Å; R553-K623 HydrophobicContact CG-CG 4.18Å; R553-K623 PolarHBondContact N-O 3.39Å; Y558-K623 HydrophobicContact CD2-CB 4.32Å; Y558-K623 HydrophobicContact CE2-CB 3.78Å; Y558-K623 VanDerWaalsContact OH-CE 3.29Å; Y558-K623 WeakPolarHBondContact OH-CE 3.11Å; K623-E653 HydrophobicContact CD-CG 4.03Å; K623-E653 VanDerWaalsContact CD-OE1 3.28Å; K623-E653 WeakPolarHBondContact CD-OE1 3.21Å; K623-E653 WeakPolarHBondContact CE-OE1 3.43Å; K623-E653 HydrophobicContact CG-CG 3.99Å; K623-E653 IonicContact NZ-OE1 2.75Å; K623-E653 PolarHBondContact NZ-OE1 3.32Å; K623-F654 CarbonylContact C-O 3.53Å; K623-F654 WeakPolarHBondContact CA-O 3.39Å; K623-I655 HydrophobicContact CB-CG1 4.18Å; K623-I655 HydrophobicContact CG-CG1 4.33Å
624	Y	98.2	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.8	-173.9	-67.1	-76.1	0	0	0	112.6	I550 V551 S552 L618 N619 H622 E653 F654 A656	I550-Y624 HydrophobicContact CG2-CD1 3.94Å; I550-Y624 HydrophobicContact CG2-CG 3.99Å; V551-Y624 WeakPolarHBondContact O-CA 3.18Å; S552-Y624 WeakPolarHBondContact OG-CE1 3.4Å; L618-Y624 HydrophobicContact CB-CD2 4.47Å; L618-Y624 HydrophobicContact CB-CE2 3.82Å; L618-Y624 HydrophobicContact CD1-CD2 4.18Å; L618-Y624 HydrophobicContact CD1-CE2 4.35Å; L618-Y624 HydrophobicContact CD1-CG 4.48Å; L618-Y624 HydrophobicContact CD2-CD1 3.77Å; L618-Y624 HydrophobicContact CD2-CD2 4.27Å; L618-Y624 HydrophobicContact CD2-CE1 3.64Å; L618-Y624 HydrophobicContact CD2-CE2 4.12Å; L618-Y624 HydrophobicContact CD2-CG 4.11Å; L618-Y624 HydrophobicContact CG-CE2 4.32Å; N619-Y624 PolarHBondContact N-OH 2.71Å; H622-Y624 HydrophobicContact CB-CD2 4.44Å; H622-Y624 HydrophobicContact CB-CE2 3.57Å; H622-Y624 WeakPolarHBondContact O-CD2 3.29Å; Y624-E653 WeakPolarHBondContact O-CA 3.31Å; Y624-F654 HydrophobicContact CD2-CE2 4.16Å; Y624-F654 HydrophobicContact CD2-CZ 4.49Å; Y624-F654 HydrophobicContact CG-CE2 4.45Å; Y624-F654 HydrophobicContact CG-CZ 4.37Å; Y624-F654 PolarHBondContact N-O 2.83Å; Y624-F654 PolarHBondContact O-N 2.83Å; Y624-A656 HydrophobicContact CD2-CB 3.81Å; Y624-A656 HydrophobicContact CE2-CB 3.73Å
625	I	97.7	Very high	95	Very high	7 Å²	7	26.2 Å²	26.2	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.5	172	-174.8	69	0	0	0	109.3	V551 R553 I648 E653	V551-I625 HydrophobicContact CG2-CG2 3.6Å; V551-I625 PolarHBondContact N-O 3.22Å; V551-I625 VanDerWaalsContact N-O 3.14Å; V551-I625 PolarHBondContact O-N 3.13Å; R553-I625 HydrophobicContact CB-CB 4.45Å; R553-I625 HydrophobicContact CB-CG2 4.31Å; I625-I648 HydrophobicContact CD1-CG2 4.08Å; I625-I648 HydrophobicContact CG1-CG2 3.63Å; I625-E653 HydrophobicContact CD1-CB 4.05Å
626	P	97.6	Very high	94.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.6	168.8	-20.1	31.8	0	0	0	111.9	F531 L548 D549 T652 F654	F531-P626 HydrophobicContact CD2-CB 3.98Å; F531-P626 HydrophobicContact CD2-CG 4.34Å; F531-P626 HydrophobicContact CE2-CB 3.79Å; F531-P626 HydrophobicContact CE2-CG 4.46Å; L548-P626 HydrophobicContact CD1-CB 4.26Å; D549-P626 WeakPolarHBondContact O-CA 3.42Å; P626-T652 WeakPolarHBondContact CD-O 3.39Å; P626-T652 WeakPolarHBondContact CD-OG1 3.41Å; P626-F654 HydrophobicContact CG-CD1 4.31Å; P626-F654 HydrophobicContact CG-CE1 4Å
627	R	96.3	Very high	94.2	Very high	56 Å²	56	31.7 Å²	31.7	21%	0.211	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.2	173.3	-47.7	-171.8	-59.2	164	5.7	109.6	L548 D549 V551 H629 T646 I648	L548-R627 WeakPolarHBondContact CA-O 3.27Å; L548-R627 WeakPolarHBondContact CD1-O 3.25Å; D549-R627 PolarHBondContact N-O 3.15Å; D549-R627 PolarHBondContact O-N 3.24Å; D549-R627 WeakPolarHBondContact OD1-CB 3.4Å; D549-R627 IonicContact OD1-CZ 3.03Å; D549-R627 IonicContact OD1-NE 3.46Å; D549-R627 PolarHBondContact OD1-NE 3.3Å; D549-R627 IonicContact OD1-NH2 3.59Å; D549-R627 PolarHBondContact OD1-NH2 3.18Å; D549-R627 IonicContact OD2-CZ 3.2Å; D549-R627 IonicContact OD2-NE 3.28Å; D549-R627 IonicContact OD2-NH2 3.01Å; D549-R627 PolarHBondContact OD2-NH2 2.64Å; V551-R627 HydrophobicContact CG2-CG 4.14Å; R627-H629 WeakPolarHBondContact CB-NE2 3.23Å; R627-H629 PolarHBondContact O-CD2 2.8Å; R627-H629 VanDerWaalsContact O-CD2 3.31Å; R627-T646 HydrophobicContact CB-CG2 4.36Å; R627-I648 HydrophobicContact CB-CG1 4.36Å; R627-I648 HydrophobicContact CG-CD1 4.17Å; R627-I648 HydrophobicContact CG-CG1 4.07Å
628	F	96.7	Very high	93.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.3	179	169.8	-111	0	0	0	109.5	T500 F531 V533 V535 M546 L547 L548 I597 F599 I630 F647	T500-F628 HydrophobicContact CG2-CD1 3.81Å; T500-F628 HydrophobicContact CG2-CE1 3.72Å; F531-F628 HydrophobicContact CE1-CB 3.96Å; F531-F628 HydrophobicContact CE1-CG 4.48Å; F531-F628 HydrophobicContact CZ-CB 3.99Å; V533-F628 HydrophobicContact CG2-CD1 4.12Å; V533-F628 HydrophobicContact CG2-CD2 4.24Å; V533-F628 HydrophobicContact CG2-CE1 3.81Å; V533-F628 HydrophobicContact CG2-CE2 3.94Å; V533-F628 HydrophobicContact CG2-CG 4.31Å; V533-F628 HydrophobicContact CG2-CZ 3.71Å; V535-F628 HydrophobicContact CG2-CE1 3.83Å; V535-F628 HydrophobicContact CG2-CZ 3.92Å; M546-F628 HydrophobicContact CB-CE2 4.22Å; M546-F628 HydrophobicContact SD-CE2 4.12Å; M546-F628 HydrophobicContact SD-CZ 3.63Å; L547-F628 WeakPolarHBondContact O-CD2 3.33Å; L548-F628 HydrophobicContact CD1-CB 4.03Å; I597-F628 HydrophobicContact CD1-CZ 4.18Å; F599-F628 AromaticContact CE2-CD2 3.63Å; F599-F628 HydrophobicContact CE2-CD2 3.63Å; F599-F628 AromaticContact CE2-CE2 3.67Å; F599-F628 HydrophobicContact CE2-CE2 3.67Å; F599-F628 AromaticContact CZ-CD2 3.8Å; F599-F628 HydrophobicContact CZ-CD2 3.8Å; F599-F628 AromaticContact CZ-CE2 3.77Å; F599-F628 HydrophobicContact CZ-CE2 3.77Å; F628-I630 HydrophobicContact CD1-CG1 4.5Å; F628-I630 HydrophobicContact CE1-CD1 3.9Å; F628-I630 HydrophobicContact CE1-CG1 3.64Å; F628-I630 HydrophobicContact CZ-CD1 4.25Å; F628-I630 HydrophobicContact CZ-CG1 3.82Å; F628-F647 HydrophobicContact CD1-CB 4.19Å; F628-F647 AromaticContact CD1-CD2 3.82Å; F628-F647 HydrophobicContact CD1-CD2 3.82Å; F628-F647 HydrophobicContact CD1-CG 4.33Å; F628-F647 HydrophobicContact CE1-CD2 4.16Å; F628-F647 PolarHBondContact N-O 2.84Å; F628-F647 PolarHBondContact O-N 2.78Å
629	H	94.9	Very high	92.7	Very high	5 Å²	5	34 Å²	34	2%	0.023	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140	-176.4	-50.3	-104.5	0	0	0	111.4	L547 D549 R627 F644 V645 T646	L547-H629 HydrophobicContact CD1-CB 3.61Å; L547-H629 VanDerWaalsContact CD1-CD2 3.47Å; L547-H629 WeakPolarHBondContact CD1-CD2 3.39Å; L547-H629 HydrophobicContact CG-CB 3.96Å; L547-H629 PolarHBondContact N-O 2.77Å; L547-H629 PolarHBondContact O-N 2.86Å; D549-H629 IonicContact OD1-NE2 2.68Å; D549-H629 IonicContact OD2-NE2 2.86Å; R627-H629 WeakPolarHBondContact CB-NE2 3.23Å; R627-H629 PolarHBondContact O-CD2 2.8Å; R627-H629 VanDerWaalsContact O-CD2 3.31Å; H629-F644 HydrophobicContact CB-CD1 4.19Å; H629-V645 CarbonylContact C-O 3.55Å; H629-V645 VanDerWaalsContact CA-O 3.29Å; H629-V645 WeakPolarHBondContact CA-O 3.38Å; H629-T646 WeakPolarHBondContact CE1-CG2 3.32Å; H629-T646 PolarHBondContact CE1-OG1 2.77Å; H629-T646 WeakPolarHBondContact ND1-CG2 3.31Å; H629-T646 PolarHBondContact ND1-OG1 2.79Å
630	I	95.3	Very high	91.7	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.4	171.4	-50.3	-172.2	0	0	0	107.7	V535 L538 Y544 M546 F628 V645 F647	V535-I630 HydrophobicContact CG1-CD1 3.73Å; V535-I630 HydrophobicContact CG2-CD1 4Å; L538-I630 HydrophobicContact CD2-CD1 4.3Å; L538-I630 HydrophobicContact CD2-CG2 4.16Å; Y544-I630 HydrophobicContact CD1-CG2 3.64Å; Y544-I630 HydrophobicContact CE1-CG2 4.37Å; Y544-I630 HydrophobicContact CG-CG2 4.26Å; M546-I630 HydrophobicContact CE-CD1 4.26Å; M546-I630 HydrophobicContact CE-CG1 4.3Å; M546-I630 HydrophobicContact CE-CG2 3.86Å; M546-I630 HydrophobicContact SD-CB 4.16Å; M546-I630 HydrophobicContact SD-CD1 4.2Å; M546-I630 HydrophobicContact SD-CG1 3.7Å; M546-I630 HydrophobicContact SD-CG2 3.96Å; F628-I630 HydrophobicContact CD1-CG1 4.5Å; F628-I630 HydrophobicContact CE1-CD1 3.9Å; F628-I630 HydrophobicContact CE1-CG1 3.64Å; F628-I630 HydrophobicContact CZ-CD1 4.25Å; F628-I630 HydrophobicContact CZ-CG1 3.82Å; I630-V645 HydrophobicContact CB-CB 4.37Å; I630-V645 PolarHBondContact N-O 3.45Å; I630-V645 PolarHBondContact O-N 3.04Å; I630-F647 HydrophobicContact CD1-CD2 4.42Å; I630-F647 HydrophobicContact CD1-CE2 3.64Å; I630-F647 HydrophobicContact CD1-CZ 4.39Å; I630-F647 HydrophobicContact CG1-CD2 4.34Å; I630-F647 HydrophobicContact CG1-CE2 3.88Å
631	V	93.9	Very high	90.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	122.3	177.8	-174.7	0	0	0	0	109	Y544 I545 L547 A633 M639 F644	Y544-V631 CarbonylContact C-O 3.6Å; Y544-V631 VanDerWaalsContact CA-O 3.27Å; Y544-V631 WeakPolarHBondContact CA-O 3.5Å; I545-V631 HydrophobicContact CB-CB 4.48Å; I545-V631 PolarHBondContact N-O 2.8Å; I545-V631 PolarHBondContact O-N 2.65Å; L547-V631 HydrophobicContact CD2-CG2 4.42Å; V631-A633 HydrophobicContact CG1-CB 4.34Å; V631-A633 PolarHBondContact O-N 3.39Å; V631-M639 HydrophobicContact CB-CG 4.43Å; V631-M639 HydrophobicContact CG1-CG 4.15Å; V631-M639 HydrophobicContact CG2-CG 4.3Å; V631-F644 HydrophobicContact CG2-CD1 3.54Å; V631-F644 HydrophobicContact CG2-CD2 4.12Å; V631-F644 HydrophobicContact CG2-CE1 3.64Å; V631-F644 HydrophobicContact CG2-CE2 4.2Å; V631-F644 HydrophobicContact CG2-CG 3.78Å; V631-F644 HydrophobicContact CG2-CZ 3.97Å
632	R	93.5	Very high	89.6	Confident	105 Å²	105	38.1 Å²	38.1	40%	0.396	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	108.4	174.9	-165.3	175.2	-173.5	171	1.4	108.8	D494 D539 A542 Y544 S642	D494-R632 IonicContact OD1-CZ 2.62Å; D494-R632 IonicContact OD1-NH1 3.96Å; D494-R632 PolarHBondContact OD1-NH1 3.36Å; D494-R632 IonicContact OD2-CZ 3.9Å; D494-R632 IonicContact OD2-NE 2.72Å; D494-R632 IonicContact OD2-NH1 3.94Å; D494-R632 PolarHBondContact OD2-NH1 2.75Å; D539-R632 IonicContact OD2-CZ 3.66Å; D539-R632 IonicContact OD2-NH2 2.86Å; D539-R632 PolarHBondContact OD2-NH2 3.15Å; A542-R632 HydrophobicContact CB-CG 4.34Å; Y544-R632 HydrophobicContact CD1-CB 3.91Å; Y544-R632 HydrophobicContact CD1-CG 4.18Å; Y544-R632 HydrophobicContact CE1-CB 3.73Å; Y544-R632 HydrophobicContact CE1-CG 3.74Å; R632-S642 WeakPolarHBondContact O-CB 3.47Å; R632-S642 PolarHBondContact O-OG 2.85Å
633	A	91.5	Very high	88.9	Confident	7 Å²	7	43.7 Å²	43.7	6%	0.058	21%	0.213	C	C	.	.			trans	-166.6	133.7	-174.4	0	0	0	0	0	112	K543 I545 V631 K638	K543-A633 PolarHBondContact O-N 2.93Å; I545-A633 HydrophobicContact CD1-CB 3.79Å; I545-A633 HydrophobicContact CG1-CB 4.38Å; V631-A633 HydrophobicContact CG1-CB 4.34Å; V631-A633 PolarHBondContact O-N 3.39Å; A633-K638 HydrophobicContact CB-CB 4.4Å
634	D	89.2	Confident	88.5	Confident	79 Å²	79	45.1 Å²	45.1	42%	0.422	22%	0.22	S	C	.	.	S	Bend	trans	-76.7	-22.1	177.3	-62.4	-65.5	0	0	0	114.7	K543 P586	K543-D634 HydrophobicContact CD-CB 4.15Å; K543-D634 WeakPolarHBondContact CD-OD1 3.46Å; P586-D634 VanDerWaalsContact CG-O 3.24Å; P586-D634 WeakPolarHBondContact CG-O 3.19Å
635	H	87.8	Confident	88.2	Confident	113 Å²	113	47.6 Å²	47.6	52%	0.523	24%	0.235	S	C	.	.	S	Bend	trans	-144.4	144.6	-172.3	-61.5	-68.3	0	0	0	110.8	N637 K638	H635-N637 PolarHBondContact O-N 3.08Å; H635-N637 VanDerWaalsContact O-N 3.17Å; H635-K638 PolarHBondContact O-N 2.69Å
636	L	86.7	Confident	88	Confident	51 Å²	51	50.2 Å²	50.2	27%	0.267	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-58.8	-32	-176.5	-168.6	61.9	0	0	0	113.4	I545 I581 K638 M639	I545-L636 HydrophobicContact CD1-CD1 4.06Å; I545-L636 HydrophobicContact CG2-CD1 4.37Å; I581-L636 HydrophobicContact CD1-CD1 3.87Å; I581-L636 HydrophobicContact CD1-CD2 4.18Å; I581-L636 HydrophobicContact CG1-CD1 4.26Å; I581-L636 HydrophobicContact CG2-CD1 4.36Å; L636-K638 VanDerWaalsContact C-N 3.3Å; L636-K638 PolarHBondContact O-N 3.28Å; L636-M639 HydrophobicContact CD1-CE 3.52Å; L636-M639 HydrophobicContact CD1-SD 3.69Å; L636-M639 HydrophobicContact CG-CE 4.41Å; L636-M639 WeakPolarHBondContact O-CB 3.37Å; L636-M639 PolarHBondContact O-N 3.47Å
637	N	81.6	Confident	87.9	Confident	93 Å²	93	52 Å²	52	50%	0.497	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-64.5	-33.9	178.7	-58.4	8	0	0	0	112.2	H635 M639	H635-N637 PolarHBondContact O-N 3.08Å; H635-N637 VanDerWaalsContact O-N 3.17Å; N637-M639 VanDerWaalsContact C-N 3.29Å; N637-M639 PolarHBondContact O-N 3.09Å
638	K	77.2	Confident	87.9	Confident	63 Å²	63	53.2 Å²	53.2	27%	0.274	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-75.4	-16.8	179.1	-67.1	-173.7	178.2	-88.7	0	113.3	A633 H635 L636 N640 M641 S642 E1191	A633-K638 HydrophobicContact CB-CB 4.4Å; H635-K638 PolarHBondContact O-N 2.69Å; L636-K638 VanDerWaalsContact C-N 3.3Å; L636-K638 PolarHBondContact O-N 3.28Å; K638-N640 PolarHBondContact O-N 2.6Å; K638-M641 PolarHBondContact O-N 2.7Å; K638-S642 PolarHBondContact O-N 3.18Å; K638-S642 VanDerWaalsContact O-N 3.14Å; K638-S642 PolarHBondContact O-OG 2.68Å; K638-E1191 WeakPolarHBondContact CE-OE1 3.49Å; K638-E1191 WeakPolarHBondContact CG-OE1 3.37Å; K638-E1191 IonicContact NZ-OE1 2.74Å; K638-E1191 PolarHBondContact NZ-OE1 3.45Å
639	M	80.6	Confident	87.9	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.025	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-53.7	-20.5	175.8	-170.1	170.8	71.5	0	0	113.3	W262 I545 L547 I581 V631 L636 N637 F644	W262-M639 HydrophobicContact CH2-CE 4.1Å; W262-M639 HydrophobicContact CZ2-CE 3.49Å; W262-M639 VanDerWaalsContact CZ2-CE 3.49Å; W262-M639 HydrophobicContact CZ2-CG 4.37Å; I545-M639 HydrophobicContact CB-SD 4.36Å; I545-M639 HydrophobicContact CD1-CB 3.96Å; I545-M639 HydrophobicContact CD1-CG 4.29Å; I545-M639 HydrophobicContact CD1-SD 4.15Å; I545-M639 HydrophobicContact CG2-SD 3.62Å; L547-M639 HydrophobicContact CD2-CE 4.23Å; L547-M639 HydrophobicContact CD2-CG 4.44Å; L547-M639 HydrophobicContact CD2-SD 3.4Å; L547-M639 WeakPolarHBondContact CD2-SD 3.5Å; I581-M639 HydrophobicContact CD1-CE 4.17Å; I581-M639 HydrophobicContact CG1-CE 4.27Å; V631-M639 HydrophobicContact CB-CG 4.43Å; V631-M639 HydrophobicContact CG1-CG 4.15Å; V631-M639 HydrophobicContact CG2-CG 4.3Å; L636-M639 HydrophobicContact CD1-CE 3.52Å; L636-M639 HydrophobicContact CD1-SD 3.69Å; L636-M639 HydrophobicContact CG-CE 4.41Å; L636-M639 WeakPolarHBondContact O-CB 3.37Å; L636-M639 PolarHBondContact O-N 3.47Å; N637-M639 VanDerWaalsContact C-N 3.29Å; N637-M639 PolarHBondContact O-N 3.09Å; M639-F644 HydrophobicContact CG-CZ 4.01Å; M639-F644 WeakPolarHBondContact O-CE2 3.24Å; M639-F644 WeakPolarHBondContact O-CZ 3.39Å
640	N	76.5	Confident	88.1	Confident	21 Å²	21	58.4 Å²	58.4	11%	0.112	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-76.4	-29.6	177.5	-68.2	8.7	0	0	0	113.6	L258 W262 R265 K638	L258-N640 WeakPolarHBondContact CD2-ND2 3.37Å; W262-N640 PolarHBondContact NE1-OD1 2.71Å; R265-N640 PolarHBondContact NH1-O 3.48Å; K638-N640 PolarHBondContact O-N 2.6Å
641	M	71.5	Confident	88.2	Confident	125 Å²	125	60 Å²	60	62%	0.616	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-23.3	-174.2	-53.1	-58.9	-83.1	0	0	112.1	K638	K638-M641 PolarHBondContact O-N 2.7Å
642	S	79.1	Confident	88.4	Confident	31 Å²	31	60 Å²	60	22%	0.217	30%	0.303	C	S	.	.	S	Bend	trans	-71.3	150	176	-67.5	0	0	0	0	113.7	R632 K638 F644	R632-S642 WeakPolarHBondContact O-CB 3.47Å; R632-S642 PolarHBondContact O-OG 2.85Å; K638-S642 PolarHBondContact O-N 3.18Å; K638-S642 VanDerWaalsContact O-N 3.14Å; K638-S642 PolarHBondContact O-OG 2.68Å; S642-F644 WeakPolarHBondContact O-CD2 3.13Å
643	N	83.6	Confident	88.6	Confident	119 Å²	119	56.4 Å²	56.4	64%	0.636	29%	0.29	S	S	*	.			trans	-66.8	143.8	172.3	-72.7	-34.2	0	0	0	112.6
644	F	89.5	Confident	89	Confident	65 Å²	65	56.1 Å²	56.1	29%	0.285	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.8	-179.1	-76.9	-115.5	0	0	0	111.5	W262 L547 H629 V631 M639 S642 T646	W262-F644 AromaticContact CH2-CE1 3.93Å; W262-F644 HydrophobicContact CH2-CE1 3.93Å; W262-F644 AromaticContact CH2-CZ 3.69Å; W262-F644 HydrophobicContact CH2-CZ 3.69Å; W262-F644 HydrophobicContact CZ2-CZ 4.09Å; L547-F644 HydrophobicContact CD2-CE1 4.13Å; H629-F644 HydrophobicContact CB-CD1 4.19Å; V631-F644 HydrophobicContact CG2-CD1 3.54Å; V631-F644 HydrophobicContact CG2-CD2 4.12Å; V631-F644 HydrophobicContact CG2-CE1 3.64Å; V631-F644 HydrophobicContact CG2-CE2 4.2Å; V631-F644 HydrophobicContact CG2-CG 3.78Å; V631-F644 HydrophobicContact CG2-CZ 3.97Å; M639-F644 HydrophobicContact CG-CZ 4.01Å; M639-F644 WeakPolarHBondContact O-CE2 3.24Å; M639-F644 WeakPolarHBondContact O-CZ 3.39Å; S642-F644 WeakPolarHBondContact O-CD2 3.13Å; F644-T646 PolarHBondContact O-N 2.88Å
645	V	92.2	Very high	89.4	Confident	53 Å²	53	52.4 Å²	52.4	32%	0.321	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.5	168.3	-172.4	0	0	0	0	108.2	H629 I630 F647	H629-V645 CarbonylContact C-O 3.55Å; H629-V645 VanDerWaalsContact CA-O 3.29Å; H629-V645 WeakPolarHBondContact CA-O 3.38Å; I630-V645 HydrophobicContact CB-CB 4.37Å; I630-V645 PolarHBondContact N-O 3.45Å; I630-V645 PolarHBondContact O-N 3.04Å; V645-F647 HydrophobicContact CB-CE2 4.35Å; V645-F647 HydrophobicContact CG1-CD2 4.47Å; V645-F647 HydrophobicContact CG1-CE2 3.58Å; V645-F647 HydrophobicContact CG1-CZ 3.68Å
646	T	94	Very high	89.9	Confident	61 Å²	61	47 Å²	47	37%	0.374	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.8	-171.2	-56.2	0	0	0	0	111.6	R627 H629 F644 I648	R627-T646 HydrophobicContact CB-CG2 4.36Å; H629-T646 WeakPolarHBondContact CE1-CG2 3.32Å; H629-T646 PolarHBondContact CE1-OG1 2.77Å; H629-T646 WeakPolarHBondContact ND1-CG2 3.31Å; H629-T646 PolarHBondContact ND1-OG1 2.79Å; F644-T646 PolarHBondContact O-N 2.88Å; T646-I648 HydrophobicContact CG2-CG1 4.37Å
647	F	95.3	Very high	90.5	Very high	37 Å²	37	44.6 Å²	44.6	16%	0.162	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.5	177	-58.6	-89.3	0	0	0	110.2	Q498 T500 F628 I630 V645 F649	Q498-F647 HydrophobicContact CB-CZ 4.49Å; T500-F647 HydrophobicContact CG2-CG 4.33Å; T500-F647 WeakPolarHBondContact OG1-CE1 3.41Å; T500-F647 VanDerWaalsContact OG1-CE2 3.28Å; T500-F647 WeakPolarHBondContact OG1-CE2 3.48Å; T500-F647 WeakPolarHBondContact OG1-CZ 3.38Å; F628-F647 HydrophobicContact CD1-CB 4.19Å; F628-F647 AromaticContact CD1-CD2 3.82Å; F628-F647 HydrophobicContact CD1-CD2 3.82Å; F628-F647 HydrophobicContact CD1-CG 4.33Å; F628-F647 HydrophobicContact CE1-CD2 4.16Å; F628-F647 PolarHBondContact N-O 2.84Å; F628-F647 PolarHBondContact O-N 2.78Å; I630-F647 HydrophobicContact CD1-CD2 4.42Å; I630-F647 HydrophobicContact CD1-CE2 3.64Å; I630-F647 HydrophobicContact CD1-CZ 4.39Å; I630-F647 HydrophobicContact CG1-CD2 4.34Å; I630-F647 HydrophobicContact CG1-CE2 3.88Å; V645-F647 HydrophobicContact CB-CE2 4.35Å; V645-F647 HydrophobicContact CG1-CD2 4.47Å; V645-F647 HydrophobicContact CG1-CE2 3.58Å; V645-F647 HydrophobicContact CG1-CZ 3.68Å; F647-F649 HydrophobicContact CB-CE2 4.2Å; F647-F649 HydrophobicContact CB-CZ 4.33Å
648	I	96.2	Very high	91.3	Very high	83 Å²	83	43.2 Å²	43.2	43%	0.426	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.6	177.3	-54.8	-177.7	0	0	0	107.6	I625 R627 T646	I625-I648 HydrophobicContact CD1-CG2 4.08Å; I625-I648 HydrophobicContact CG1-CG2 3.63Å; R627-I648 HydrophobicContact CB-CG1 4.36Å; R627-I648 HydrophobicContact CG-CD1 4.17Å; R627-I648 HydrophobicContact CG-CG1 4.07Å; T646-I648 HydrophobicContact CG2-CG1 4.37Å
649	F	96.8	Very high	92.3	Very high	28 Å²	28	42.5 Å²	42.5	12%	0.123	23%	0.231	C	C	.	.			trans	-121.8	103.9	178.1	-60.2	-77.5	0	0	0	108.6	T500 L502 F531 V533 F647 E651 T652	T500-F649 HydrophobicContact CG2-CE2 4.37Å; T500-F649 HydrophobicContact CG2-CZ 3.92Å; L502-F649 HydrophobicContact CB-CD1 3.77Å; L502-F649 HydrophobicContact CB-CD2 4.3Å; L502-F649 HydrophobicContact CB-CE1 3.92Å; L502-F649 HydrophobicContact CB-CE2 4.44Å; L502-F649 HydrophobicContact CB-CG 3.97Å; L502-F649 HydrophobicContact CB-CZ 4.26Å; L502-F649 HydrophobicContact CD1-CD2 4.36Å; L502-F649 HydrophobicContact CD2-CB 4.06Å; L502-F649 HydrophobicContact CD2-CG 4.31Å; L502-F649 HydrophobicContact CG-CG 4.5Å; F531-F649 HydrophobicContact CE2-CD2 4.32Å; F531-F649 AromaticContact CZ-CD2 3.94Å; F531-F649 HydrophobicContact CZ-CD2 3.94Å; F531-F649 HydrophobicContact CZ-CE2 4.24Å; V533-F649 HydrophobicContact CG1-CE2 3.88Å; V533-F649 HydrophobicContact CG1-CZ 4.36Å; F647-F649 HydrophobicContact CB-CE2 4.2Å; F647-F649 HydrophobicContact CB-CZ 4.33Å; F649-E651 PolarHBondContact O-N 2.78Å; F649-T652 HydrophobicContact CB-CG2 3.86Å; F649-T652 WeakPolarHBondContact O-CB 3.35Å; F649-T652 PolarHBondContact O-N 2.75Å; F649-T652 PolarHBondContact O-OG1 2.91Å
650	D	97.5	Very high	93.1	Very high	86 Å²	86	45.6 Å²	45.6	46%	0.46	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-60.9	-28	-172.3	-70.9	-54.7	0	0	0	113	H512 R553 T652 E653	H512-D650 PolarHBondContact CE1-O 3.14Å; H512-D650 PolarHBondContact ND1-O 2.97Å; R553-D650 IonicContact CZ-OD1 3.7Å; R553-D650 IonicContact NH1-OD1 3.27Å; R553-D650 PolarHBondContact NH1-OD1 3.35Å; R553-D650 IonicContact NH2-OD1 2.7Å; R553-D650 PolarHBondContact NH2-OD1 3.09Å; D650-T652 PolarHBondContact O-N 2.93Å; D650-T652 VanDerWaalsContact O-N 3.1Å; D650-E653 WeakPolarHBondContact O-CB 3.41Å; D650-E653 PolarHBondContact O-N 2.77Å; D650-E653 VanDerWaalsContact O-N 3.13Å
651	E	97.7	Very high	94.2	Very high	36 Å²	36	47.8 Å²	47.8	17%	0.168	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-66.7	-9.5	173.7	71.5	-101.1	-119.2	0	0	114.1	L502 S505 W508 K509 H512 F649	L502-E651 HydrophobicContact CD2-CG 3.58Å; S505-E651 PolarHBondContact OG-OE1 3.28Å; W508-E651 HydrophobicContact CB-CB 4.43Å; W508-E651 HydrophobicContact CB-CG 3.77Å; K509-E651 WeakPolarHBondContact CE-OE1 3.4Å; K509-E651 HydrophobicContact CG-CB 3.84Å; K509-E651 HydrophobicContact CG-CG 4.09Å; K509-E651 IonicContact NZ-OE1 3.15Å; H512-E651 HydrophobicContact CB-CB 4.42Å; F649-E651 PolarHBondContact O-N 2.78Å
652	T	98.4	Very high	95.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-91.7	-0.7	175.6	70.6	0	0	0	0	113.9	L502 W508 F531 P626 F649 D650 F654	L502-T652 HydrophobicContact CD1-CG2 3.91Å; L502-T652 HydrophobicContact CD2-CG2 3.55Å; L502-T652 HydrophobicContact CG-CG2 4.41Å; W508-T652 HydrophobicContact CD2-CG2 3.83Å; W508-T652 HydrophobicContact CE3-CG2 3.89Å; W508-T652 HydrophobicContact CG-CG2 4.28Å; W508-T652 HydrophobicContact CH2-CG2 4.4Å; W508-T652 HydrophobicContact CZ2-CG2 4.37Å; W508-T652 HydrophobicContact CZ3-CG2 4.17Å; F531-T652 HydrophobicContact CD2-CG2 4.24Å; F531-T652 HydrophobicContact CE2-CG2 4.02Å; P626-T652 WeakPolarHBondContact CD-O 3.39Å; P626-T652 WeakPolarHBondContact CD-OG1 3.41Å; F649-T652 HydrophobicContact CB-CG2 3.86Å; F649-T652 WeakPolarHBondContact O-CB 3.35Å; F649-T652 PolarHBondContact O-N 2.75Å; F649-T652 PolarHBondContact O-OG1 2.91Å; D650-T652 PolarHBondContact O-N 2.93Å; D650-T652 VanDerWaalsContact O-N 3.1Å; T652-F654 PolarHBondContact O-N 2.98Å
653	E	98.3	Very high	96.3	Very high	28 Å²	28	48.7 Å²	48.7	13%	0.131	25%	0.253	C	S	.	.			trans	-54.3	133.8	170.4	-173	-177.3	119	0	0	111.2	T516 R553 K623 Y624 I625 D650	T516-E653 VanDerWaalsContact CB-O 3.27Å; T516-E653 WeakPolarHBondContact CB-O 3.19Å; T516-E653 PolarHBondContact OG1-O 2.86Å; R553-E653 HydrophobicContact CG-CG 4.26Å; R553-E653 IonicContact CZ-OE2 2.71Å; R553-E653 VanDerWaalsContact CZ-OE2 3.24Å; R553-E653 IonicContact NE-OE2 3.64Å; R553-E653 PolarHBondContact NE-OE2 3.3Å; R553-E653 IonicContact NH2-OE2 3.57Å; R553-E653 PolarHBondContact NH2-OE2 3.45Å; K623-E653 HydrophobicContact CD-CG 4.03Å; K623-E653 VanDerWaalsContact CD-OE1 3.28Å; K623-E653 WeakPolarHBondContact CD-OE1 3.21Å; K623-E653 WeakPolarHBondContact CE-OE1 3.43Å; K623-E653 HydrophobicContact CG-CG 3.99Å; K623-E653 IonicContact NZ-OE1 2.75Å; K623-E653 PolarHBondContact NZ-OE1 3.32Å; Y624-E653 WeakPolarHBondContact O-CA 3.31Å; I625-E653 HydrophobicContact CD1-CB 4.05Å; D650-E653 WeakPolarHBondContact O-CB 3.41Å; D650-E653 PolarHBondContact O-N 2.77Å; D650-E653 VanDerWaalsContact O-N 3.13Å
654	F	98.7	Very high	96.9	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.1	179.9	71.7	-91.9	0	0	0	113.4	T516 M518 I550 L604 L618 K623 Y624 P626 T652 A656	T516-F654 HydrophobicContact CG2-CB 3.77Å; T516-F654 CarbonylContact O-C 3.57Å; T516-F654 WeakPolarHBondContact O-CA 3.29Å; T516-F654 WeakPolarHBondContact O-CB 3.47Å; M518-F654 HydrophobicContact CB-CD2 3.5Å; M518-F654 HydrophobicContact CB-CE2 3.72Å; M518-F654 HydrophobicContact CB-CG 4.16Å; M518-F654 HydrophobicContact CG-CB 3.91Å; M518-F654 HydrophobicContact CG-CD1 4.07Å; M518-F654 HydrophobicContact CG-CD2 3.41Å; M518-F654 VanDerWaalsContact CG-CD2 3.41Å; M518-F654 HydrophobicContact CG-CE1 4.46Å; M518-F654 HydrophobicContact CG-CE2 3.87Å; M518-F654 HydrophobicContact CG-CG 3.52Å; M518-F654 HydrophobicContact CG-CZ 4.37Å; I550-F654 HydrophobicContact CD1-CZ 4.44Å; I550-F654 HydrophobicContact CG2-CE1 4.22Å; I550-F654 HydrophobicContact CG2-CZ 4Å; L604-F654 HydrophobicContact CD1-CE2 3.98Å; L604-F654 HydrophobicContact CD1-CZ 3.91Å; L618-F654 HydrophobicContact CD1-CE2 4.01Å; L618-F654 HydrophobicContact CD1-CZ 3.88Å; K623-F654 CarbonylContact C-O 3.53Å; K623-F654 WeakPolarHBondContact CA-O 3.39Å; Y624-F654 HydrophobicContact CD2-CE2 4.16Å; Y624-F654 HydrophobicContact CD2-CZ 4.49Å; Y624-F654 HydrophobicContact CG-CE2 4.45Å; Y624-F654 HydrophobicContact CG-CZ 4.37Å; Y624-F654 PolarHBondContact N-O 2.83Å; Y624-F654 PolarHBondContact O-N 2.83Å; P626-F654 HydrophobicContact CG-CD1 4.31Å; P626-F654 HydrophobicContact CG-CE1 4Å; T652-F654 PolarHBondContact O-N 2.98Å; F654-A656 HydrophobicContact CE2-CB 4.21Å
655	I	98.6	Very high	97.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.3	166.4	-61.9	176.5	0	0	0	109	T515 T516 E517 M518 Y558 W565 H622 K623 V657	T515-I655 HydrophobicContact CG2-CD1 3.77Å; T515-I655 HydrophobicContact CG2-CG1 4.17Å; T516-I655 PolarHBondContact O-N 2.65Å; E517-I655 WeakPolarHBondContact CA-O 3.27Å; M518-I655 PolarHBondContact N-O 3.22Å; Y558-I655 HydrophobicContact CD1-CD1 4.14Å; Y558-I655 HydrophobicContact CG-CD1 4.1Å; W565-I655 HydrophobicContact CD2-CD1 3.57Å; W565-I655 HydrophobicContact CE3-CD1 3.7Å; W565-I655 HydrophobicContact CG-CD1 3.98Å; W565-I655 HydrophobicContact CH2-CB 4.36Å; W565-I655 HydrophobicContact CH2-CD1 4.31Å; W565-I655 HydrophobicContact CH2-CG2 3.7Å; W565-I655 HydrophobicContact CZ2-CB 4.4Å; W565-I655 HydrophobicContact CZ2-CD1 4.24Å; W565-I655 HydrophobicContact CZ2-CG2 4.23Å; W565-I655 HydrophobicContact CZ3-CD1 4.05Å; W565-I655 HydrophobicContact CZ3-CG2 3.94Å; H622-I655 WeakPolarHBondContact O-CA 3.42Å; K623-I655 HydrophobicContact CB-CG1 4.18Å; K623-I655 HydrophobicContact CG-CG1 4.33Å; I655-V657 HydrophobicContact CG2-CG1 4.13Å
656	A	98.5	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	134.9	174.6	0	0	0	0	0	109.9	I520 L618 M621 H622 Y624 F654	I520-A656 HydrophobicContact CD1-CB 4.32Å; I520-A656 HydrophobicContact CG2-CB 3.96Å; L618-A656 HydrophobicContact CB-CB 4.35Å; L618-A656 HydrophobicContact CD1-CB 4.36Å; M621-A656 VanDerWaalsContact CA-O 3.32Å; M621-A656 WeakPolarHBondContact CA-O 3.41Å; M621-A656 PolarHBondContact N-O 3.3Å; H622-A656 PolarHBondContact O-N 3.49Å; Y624-A656 HydrophobicContact CD2-CB 3.81Å; Y624-A656 HydrophobicContact CE2-CB 3.73Å; F654-A656 HydrophobicContact CE2-CB 4.21Å
657	V	98.7	Very high	97.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	146.9	-177	-60.4	0	0	0	0	111.8	E517 M518 V519 I520 W565 M621 I655 A659 Y660 Q661	E517-V657 HydrophobicContact CB-CG2 4.13Å; M518-V657 PolarHBondContact O-N 2.81Å; V519-V657 CarbonylContact C-O 3.53Å; V519-V657 WeakPolarHBondContact CA-O 3.36Å; V519-V657 HydrophobicContact CG2-CG2 4.2Å; I520-V657 PolarHBondContact N-O 3.22Å; W565-V657 HydrophobicContact CH2-CG1 3.86Å; W565-V657 HydrophobicContact CZ2-CG1 4.29Å; M621-V657 HydrophobicContact SD-CB 4.48Å; M621-V657 HydrophobicContact SD-CG1 4.01Å; I655-V657 HydrophobicContact CG2-CG1 4.13Å; V657-A659 WeakPolarHBondContact CB-O 3.46Å; V657-A659 WeakPolarHBondContact CG2-O 3.43Å; V657-Y660 HydrophobicContact CG2-CD1 4.46Å; V657-Q661 HydrophobicContact CG1-CG 4.22Å
658	T	98.1	Very high	97.7	Very high	65 Å²	65	47.8 Å²	47.8	40%	0.399	23%	0.232	S	C	.	.	S	Bend	trans	-76.3	-28.3	171.3	47.8	0	0	0	0	112.4	I520	I520-T658 HydrophobicContact CG1-CG2 4.29Å
659	A	98.2	Very high	97.8	Very high	48 Å²	48	44 Å²	44	40%	0.397	21%	0.213	S	C	.	.	S	Bend	trans	-144.2	150	170.9	0	0	0	0	0	110.6	V657 Q661	V657-A659 WeakPolarHBondContact CB-O 3.46Å; V657-A659 WeakPolarHBondContact CG2-O 3.43Å; A659-Q661 PolarHBondContact O-NE2 3.35Å
660	Y	98.5	Very high	97.8	Very high	69 Å²	69	43.3 Å²	43.3	27%	0.271	21%	0.211	S	C	.	.			trans	-60.4	141.9	178.8	-63.3	-55.1	0	0	0	112	E517 V519 V657 I665 T666 K669	E517-Y660 HydrophobicContact CB-CD1 4.05Å; E517-Y660 HydrophobicContact CB-CE1 4.45Å; E517-Y660 WeakPolarHBondContact OE2-CA 3.35Å; E517-Y660 WeakPolarHBondContact OE2-CB 3.36Å; E517-Y660 WeakPolarHBondContact OE2-CD1 3.41Å; V519-Y660 HydrophobicContact CG2-CD1 3.79Å; V519-Y660 HydrophobicContact CG2-CD2 4.39Å; V519-Y660 HydrophobicContact CG2-CE1 3.46Å; V519-Y660 VanDerWaalsContact CG2-CE1 3.46Å; V519-Y660 HydrophobicContact CG2-CE2 4.1Å; V519-Y660 HydrophobicContact CG2-CG 4.23Å; V657-Y660 HydrophobicContact CG2-CD1 4.46Å; Y660-I665 HydrophobicContact CD1-CG2 4.34Å; Y660-T666 WeakPolarHBondContact CB-OG1 3.33Å; Y660-T666 HydrophobicContact CD2-CG2 4.16Å; Y660-K669 HydrophobicContact CE1-CD 4.21Å; Y660-K669 HydrophobicContact CE1-CG 4.04Å; Y660-K669 HydrophobicContact CE2-CG 4.18Å; Y660-K669 WeakPolarHBondContact OH-CD 3.46Å; Y660-K669 WeakPolarHBondContact OH-CG 3.47Å
661	Q	98.4	Very high	97.7	Very high	67 Å²	67	43.2 Å²	43.2	31%	0.313	21%	0.21	S	C	.	.			trans	-105.5	-46.2	-177.8	-55.3	-63.5	-61.3	0	0	111.1	E517 F560 W565 M621 V657 A659	E517-Q661 PolarHBondContact OE2-N 2.95Å; F560-Q661 HydrophobicContact CB-CB 3.61Å; F560-Q661 HydrophobicContact CB-CG 4.01Å; F560-Q661 HydrophobicContact CD1-CB 3.7Å; F560-Q661 HydrophobicContact CD2-CB 4.34Å; F560-Q661 HydrophobicContact CE1-CB 4.41Å; F560-Q661 VanDerWaalsContact CE1-O 3.3Å; F560-Q661 WeakPolarHBondContact CE1-O 3.32Å; F560-Q661 HydrophobicContact CG-CB 3.64Å; W565-Q661 HydrophobicContact CH2-CB 4.2Å; W565-Q661 HydrophobicContact CH2-CG 3.68Å; W565-Q661 HydrophobicContact CZ2-CB 3.92Å; W565-Q661 HydrophobicContact CZ2-CG 3.87Å; M621-Q661 HydrophobicContact CE-CG 4.33Å; V657-Q661 HydrophobicContact CG1-CG 4.22Å; A659-Q661 PolarHBondContact O-NE2 3.35Å
662	N	97.7	Very high	97.7	Very high	22 Å²	22	44.7 Å²	44.7	12%	0.118	22%	0.219	C	C	.	.			trans	-86.1	114.1	176.8	-173.4	-6.4	0	0	0	110.8	M514 E517 F560 R664 I665 T666	M514-N662 PolarHBondContact O-ND2 3.19Å; M514-N662 VanDerWaalsContact O-ND2 3.16Å; E517-N662 WeakPolarHBondContact OE1-CB 3.42Å; E517-N662 PolarHBondContact OE1-N 2.9Å; F560-N662 HydrophobicContact CE2-CB 4.13Å; F560-N662 HydrophobicContact CZ-CB 3.85Å; N662-R664 PolarHBondContact O-N 3.09Å; N662-R664 VanDerWaalsContact OD1-CB 3.31Å; N662-R664 WeakPolarHBondContact OD1-CB 3.24Å; N662-R664 PolarHBondContact OD1-N 3.2Å; N662-I665 HydrophobicContact CB-CB 4.13Å; N662-I665 HydrophobicContact CB-CG1 3.85Å; N662-I665 WeakPolarHBondContact O-CB 3.46Å; N662-I665 PolarHBondContact O-N 3.29Å; N662-I665 VanDerWaalsContact O-N 3.08Å; N662-T666 PolarHBondContact O-N 2.94Å; N662-T666 PolarHBondContact O-OG1 2.99Å
663	E	96.7	Very high	97.6	Very high	153 Å²	153	45.6 Å²	45.6	72%	0.715	22%	0.224	S	C	*	.	H	α-helix	trans	-57.6	-30	176	-66	-173.5	161.1	0	0	112.4	T666 Q667	E663-T666 WeakPolarHBondContact O-CB 3.36Å; E663-T666 PolarHBondContact O-N 3.29Å; E663-Q667 WeakPolarHBondContact O-CG 3.14Å; E663-Q667 PolarHBondContact O-N 2.91Å
664	R	97	Very high	97.4	Very high	177 Å²	177	48.7 Å²	48.7	67%	0.668	25%	0.246	S	C	*	.	H	α-helix	trans	-67.8	-40.7	176.3	-55.8	-178.4	179.9	-177.2	-0.3	112.1	M514 N662 T666 Q667 L668	M514-R664 HydrophobicContact SD-CB 3.61Å; M514-R664 HydrophobicContact SD-CG 4.43Å; N662-R664 PolarHBondContact O-N 3.09Å; N662-R664 VanDerWaalsContact OD1-CB 3.31Å; N662-R664 WeakPolarHBondContact OD1-CB 3.24Å; N662-R664 PolarHBondContact OD1-N 3.2Å; R664-T666 VanDerWaalsContact C-N 3.31Å; R664-Q667 PolarHBondContact O-N 2.82Å; R664-L668 WeakPolarHBondContact O-CB 3.2Å; R664-L668 PolarHBondContact O-N 3.42Å
665	I	98	Very high	97.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-44.5	171.8	-65.8	-71.8	0	0	0	108.9	F511 M514 T515 E517 Y660 N662 Q667 L668 K669	F511-I665 HydrophobicContact CD1-CD1 3.93Å; F511-I665 HydrophobicContact CD1-CG2 4.34Å; F511-I665 HydrophobicContact CE1-CG2 4.2Å; M514-I665 HydrophobicContact CB-CD1 3.7Å; M514-I665 HydrophobicContact CB-CG1 4.24Å; T515-I665 VanDerWaalsContact O-CD1 3.3Å; T515-I665 WeakPolarHBondContact O-CD1 3.22Å; E517-I665 HydrophobicContact CB-CG2 3.98Å; E517-I665 HydrophobicContact CG-CG1 4.39Å; E517-I665 HydrophobicContact CG-CG2 4.16Å; Y660-I665 HydrophobicContact CD1-CG2 4.34Å; N662-I665 HydrophobicContact CB-CB 4.13Å; N662-I665 HydrophobicContact CB-CG1 3.85Å; N662-I665 WeakPolarHBondContact O-CB 3.46Å; N662-I665 PolarHBondContact O-N 3.29Å; N662-I665 VanDerWaalsContact O-N 3.08Å; I665-Q667 PolarHBondContact O-N 3.08Å; I665-L668 PolarHBondContact O-N 3.17Å; I665-K669 HydrophobicContact CG2-CG 4.25Å; I665-K669 VanDerWaalsContact O-CG 3.22Å; I665-K669 WeakPolarHBondContact O-CG 3.38Å; I665-K669 PolarHBondContact O-N 2.78Å
666	T	97.2	Very high	96.9	Very high	18 Å²	18	58 Å²	58	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-55.6	-49.1	177.7	-59.4	0	0	0	0	112.3	L2 Y660 N662 E663 R664 K669 I670	L2-T666 HydrophobicContact CD1-CG2 4.14Å; L2-T666 HydrophobicContact CD2-CG2 4.24Å; Y660-T666 WeakPolarHBondContact CB-OG1 3.33Å; Y660-T666 HydrophobicContact CD2-CG2 4.16Å; N662-T666 PolarHBondContact O-N 2.94Å; N662-T666 PolarHBondContact O-OG1 2.99Å; E663-T666 WeakPolarHBondContact O-CB 3.36Å; E663-T666 PolarHBondContact O-N 3.29Å; R664-T666 VanDerWaalsContact C-N 3.31Å; T666-K669 WeakPolarHBondContact O-CB 3.21Å; T666-K669 PolarHBondContact O-N 3.11Å; T666-I670 HydrophobicContact CG2-CD1 4.09Å; T666-I670 WeakPolarHBondContact O-CG1 3.12Å; T666-I670 PolarHBondContact O-N 3.08Å
667	Q	96.5	Very high	96.5	Very high	104 Å²	104	64.9 Å²	64.9	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-43.1	176.8	-64.4	-66.7	24.3	0	0	111.9	E663 R664 I665 K669 I670 D671	E663-Q667 WeakPolarHBondContact O-CG 3.14Å; E663-Q667 PolarHBondContact O-N 2.91Å; R664-Q667 PolarHBondContact O-N 2.82Å; I665-Q667 PolarHBondContact O-N 3.08Å; Q667-K669 VanDerWaalsContact C-N 3.27Å; Q667-K669 PolarHBondContact O-N 3.34Å; Q667-I670 CarbonylContact O-C 3.51Å; Q667-I670 WeakPolarHBondContact O-CA 3.45Å; Q667-I670 WeakPolarHBondContact O-CB 3.12Å; Q667-I670 PolarHBondContact O-N 2.81Å; Q667-D671 PolarHBondContact O-N 2.73Å
668	L	97.1	Very high	96.2	Very high	17 Å²	17	68 Å²	68	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-61.1	-35	177.2	-171	69.3	0	0	0	112.8	H510 F511 M514 R664 I665 N672	H510-L668 WeakPolarHBondContact CD2-CD1 3.4Å; F511-L668 HydrophobicContact CB-CD2 4.32Å; F511-L668 HydrophobicContact CD1-CD2 3.52Å; F511-L668 HydrophobicContact CD1-CG 4.3Å; F511-L668 HydrophobicContact CD2-CD2 3.72Å; F511-L668 HydrophobicContact CD2-CG 4.33Å; F511-L668 HydrophobicContact CE1-CB 3.97Å; F511-L668 HydrophobicContact CE1-CD2 3.52Å; F511-L668 HydrophobicContact CE1-CG 3.78Å; F511-L668 HydrophobicContact CE2-CD2 3.75Å; F511-L668 HydrophobicContact CE2-CG 3.85Å; F511-L668 HydrophobicContact CG-CD2 3.6Å; F511-L668 HydrophobicContact CZ-CB 4.02Å; F511-L668 HydrophobicContact CZ-CD2 3.64Å; F511-L668 HydrophobicContact CZ-CG 3.53Å; M514-L668 HydrophobicContact CE-CD2 3.75Å; R664-L668 WeakPolarHBondContact O-CB 3.2Å; R664-L668 PolarHBondContact O-N 3.42Å; I665-L668 PolarHBondContact O-N 3.17Å; L668-N672 WeakPolarHBondContact CD1-ND2 3.3Å; L668-N672 WeakPolarHBondContact O-CB 3.45Å; L668-N672 PolarHBondContact O-N 2.72Å; L668-N672 PolarHBondContact O-ND2 2.9Å
669	K	97.7	Very high	95.8	Very high	5 Å²	5	71.1 Å²	71.1	2%	0.022	36%	0.36	C	S	.	.	H	α-helix	trans	-65.2	-42	170	-57.1	-78.6	-172.2	-149.9	0	110.7	F511 E517 F528 Y660 I665 T666 Q667 N673	F511-K669 HydrophobicContact CD1-CD 4.49Å; F511-K669 HydrophobicContact CE1-CD 3.46Å; F511-K669 VanDerWaalsContact CE1-CD 3.46Å; F511-K669 HydrophobicContact CE1-CG 3.83Å; F511-K669 HydrophobicContact CZ-CD 3.66Å; F511-K669 HydrophobicContact CZ-CG 4.1Å; E517-K669 WeakPolarHBondContact O-CE 3.46Å; E517-K669 PolarHBondContact O-NZ 2.85Å; F528-K669 HydrophobicContact CD1-CD 3.85Å; F528-K669 PolarHBondContact O-NZ 2.87Å; Y660-K669 HydrophobicContact CE1-CD 4.21Å; Y660-K669 HydrophobicContact CE1-CG 4.04Å; Y660-K669 HydrophobicContact CE2-CG 4.18Å; Y660-K669 WeakPolarHBondContact OH-CD 3.46Å; Y660-K669 WeakPolarHBondContact OH-CG 3.47Å; I665-K669 HydrophobicContact CG2-CG 4.25Å; I665-K669 VanDerWaalsContact O-CG 3.22Å; I665-K669 WeakPolarHBondContact O-CG 3.38Å; I665-K669 PolarHBondContact O-N 2.78Å; T666-K669 WeakPolarHBondContact O-CB 3.21Å; T666-K669 PolarHBondContact O-N 3.11Å; Q667-K669 VanDerWaalsContact C-N 3.27Å; Q667-K669 PolarHBondContact O-N 3.34Å; K669-N673 WeakPolarHBondContact O-CB 3.36Å; K669-N673 PolarHBondContact O-N 3.22Å
670	I	96.4	Very high	95.5	Very high	13 Å²	13	72 Å²	72	7%	0.067	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-46.9	178.7	-72.5	165.6	0	0	0	111.4	L2 T666 Q667 A676 F679 R680	L2-I670 HydrophobicContact CD1-CD1 4.29Å; T666-I670 HydrophobicContact CG2-CD1 4.09Å; T666-I670 WeakPolarHBondContact O-CG1 3.12Å; T666-I670 PolarHBondContact O-N 3.08Å; Q667-I670 CarbonylContact O-C 3.51Å; Q667-I670 WeakPolarHBondContact O-CA 3.45Å; Q667-I670 WeakPolarHBondContact O-CB 3.12Å; Q667-I670 PolarHBondContact O-N 2.81Å; I670-A676 HydrophobicContact CG1-CB 4.43Å; I670-F679 HydrophobicContact CD1-CB 3.89Å; I670-F679 HydrophobicContact CG1-CB 3.93Å; I670-F679 HydrophobicContact CG2-CB 3.85Å; I670-R680 HydrophobicContact CG2-CB 4.45Å; I670-R680 HydrophobicContact CG2-CG 3.58Å; I670-R680 PolarHBondContact O-NE 2.81Å; I670-R680 PolarHBondContact O-NH2 3.36Å
671	D	96.3	Very high	94.5	Very high	84 Å²	84	75.5 Å²	75.5	45%	0.449	38%	0.377	S	S	.	.	H	α-helix	trans	-73.7	-30	-175.4	-69.6	-33.3	0	0	0	114.3	Q667 R680	Q667-D671 PolarHBondContact O-N 2.73Å; D671-R680 VanDerWaalsContact C-CZ 3.44Å; D671-R680 PolarHBondContact O-NH1 3.49Å; D671-R680 PolarHBondContact O-NH2 3.38Å
672	N	96.6	Very high	92.9	Very high	67 Å²	67	80.4 Å²	80.4	36%	0.358	41%	0.405	S	S	.	.	H	α-helix	trans	-102.2	-30.8	-177.4	-66.4	-83	0	0	0	113.3	L507 F528 L668 P674	L507-N672 HydrophobicContact CD1-CB 3.98Å; L507-N672 HydrophobicContact CD2-CB 4.3Å; F528-N672 HydrophobicContact CE1-CB 3.87Å; F528-N672 VanDerWaalsContact CZ-C 3.42Å; F528-N672 HydrophobicContact CZ-CB 3.74Å; L668-N672 WeakPolarHBondContact CD1-ND2 3.3Å; L668-N672 WeakPolarHBondContact O-CB 3.45Å; L668-N672 PolarHBondContact O-N 2.72Å; L668-N672 PolarHBondContact O-ND2 2.9Å; N672-P674 WeakPolarHBondContact O-CD 3.48Å
673	N	96	Very high	90.8	Very high	19 Å²	19	81.1 Å²	81.1	10%	0.102	42%	0.417	C	S	.	.			trans	-79.9	121.4	-177.6	-168.3	-33.6	0	0	0	111.3	F528 K669 F675 A676 R680	F528-N673 HydrophobicContact CD1-CB 3.91Å; F528-N673 HydrophobicContact CD2-CB 3.93Å; F528-N673 WeakPolarHBondContact CD2-ND2 3.24Å; F528-N673 HydrophobicContact CE1-CB 3.81Å; F528-N673 HydrophobicContact CE2-CB 3.82Å; F528-N673 HydrophobicContact CG-CB 3.98Å; F528-N673 VanDerWaalsContact CG-ND2 3.31Å; F528-N673 WeakPolarHBondContact CG-ND2 3.36Å; F528-N673 VanDerWaalsContact CZ-CA 3.49Å; F528-N673 HydrophobicContact CZ-CB 3.77Å; K669-N673 WeakPolarHBondContact O-CB 3.36Å; K669-N673 PolarHBondContact O-N 3.22Å; N673-F675 PolarHBondContact O-N 3.49Å; N673-F675 WeakPolarHBondContact OD1-CB 3.26Å; N673-F675 WeakPolarHBondContact OD1-CD2 3.17Å; N673-F675 PolarHBondContact OD1-N 3.16Å; N673-A676 HydrophobicContact CB-CB 4.01Å; N673-A676 PolarHBondContact O-N 3.33Å; N673-R680 PolarHBondContact O-NH2 2.92Å; N673-R680 VanDerWaalsContact O-NH2 3.11Å
674	P	94.7	Very high	88.5	Confident	93 Å²	93	78.5 Å²	78.5	60%	0.604	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-58	-35.7	177.3	-25.3	35.5	0	0	0	113.2	N672 A676 K677	N672-P674 WeakPolarHBondContact O-CD 3.48Å; P674-A676 PolarHBondContact O-N 3.08Å; P674-K677 WeakPolarHBondContact O-CB 3.41Å; P674-K677 PolarHBondContact O-N 2.74Å
675	F	93.4	Very high	86.1	Confident	184 Å²	184	73 Å²	73	81%	0.807	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-73	-9.8	178.9	-56.3	-73.7	0	0	0	113.4	N673	N673-F675 PolarHBondContact O-N 3.49Å; N673-F675 WeakPolarHBondContact OD1-CB 3.26Å; N673-F675 WeakPolarHBondContact OD1-CD2 3.17Å; N673-F675 PolarHBondContact OD1-N 3.16Å
676	A	92.8	Very high	84	Confident	14 Å²	14	82.8 Å²	82.8	12%	0.116	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-104.2	2.8	176	0	0	0	0	0	113.6	I670 N673 P674 G678 F679	I670-A676 HydrophobicContact CG1-CB 4.43Å; N673-A676 HydrophobicContact CB-CB 4.01Å; N673-A676 PolarHBondContact O-N 3.33Å; P674-A676 PolarHBondContact O-N 3.08Å; A676-G678 PolarHBondContact O-N 3.31Å; A676-F679 PolarHBondContact O-N 2.99Å
677	K	90.7	Very high	82	Confident	143 Å²	143	93.2 Å²	93.2	62%	0.622	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-52.5	-28.3	-177.9	-177.1	175.2	177.7	176.6	0	114.7	P674 F679 R680	P674-K677 WeakPolarHBondContact O-CB 3.41Å; P674-K677 PolarHBondContact O-N 2.74Å; K677-F679 PolarHBondContact O-N 3Å; K677-R680 PolarHBondContact O-N 2.94Å
678	G	92.2	Very high	79.9	Confident	66 Å²	66	96.4 Å²	96.4	68%	0.68	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-70.3	-3.3	176.8	0	0	0	0	0	116	A676	A676-G678 PolarHBondContact O-N 3.31Å
679	F	90.3	Very high	77.6	Confident	130 Å²	130	104.6 Å²	104.6	57%	0.57	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-107.9	0.8	176.8	-62.1	-78	0	0	0	113.9	I670 A676 K677	I670-F679 HydrophobicContact CD1-CB 3.89Å; I670-F679 HydrophobicContact CG1-CB 3.93Å; I670-F679 HydrophobicContact CG2-CB 3.85Å; A676-F679 PolarHBondContact O-N 2.99Å; K677-F679 PolarHBondContact O-N 3Å
680	R	92.3	Very high	75.1	Confident	68 Å²	68	112.6 Å²	112.6	26%	0.257	57%	0.573	S	S	.	*	S	Bend	trans	-80.2	147.4	177.3	-60.2	175.2	-160.2	-165.1	3.1	110.6	I670 D671 N673 K677 N682 G683	I670-R680 HydrophobicContact CG2-CB 4.45Å; I670-R680 HydrophobicContact CG2-CG 3.58Å; I670-R680 PolarHBondContact O-NE 2.81Å; I670-R680 PolarHBondContact O-NH2 3.36Å; D671-R680 VanDerWaalsContact C-CZ 3.44Å; D671-R680 PolarHBondContact O-NH1 3.49Å; D671-R680 PolarHBondContact O-NH2 3.38Å; N673-R680 PolarHBondContact O-NH2 2.92Å; N673-R680 VanDerWaalsContact O-NH2 3.11Å; K677-R680 PolarHBondContact O-N 2.94Å; R680-N682 VanDerWaalsContact C-N 3.34Å; R680-N682 PolarHBondContact O-N 3.48Å; R680-G683 CarbonylContact O-C 3.56Å; R680-G683 WeakPolarHBondContact O-CA 3.43Å; R680-G683 PolarHBondContact O-N 3.37Å
681	D	76.6	Confident	72.6	Confident	142 Å²	142	114.6 Å²	114.6	76%	0.759	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-62.6	-37.6	-178.2	-63.5	-46	0	0	0	113.3	G683 S684	D681-G683 PolarHBondContact O-N 2.97Å; D681-G683 VanDerWaalsContact O-N 3.12Å; D681-S684 VanDerWaalsContact O-CB 3.29Å; D681-S684 WeakPolarHBondContact O-CB 3.41Å; D681-S684 PolarHBondContact O-N 3.14Å; D681-S684 PolarHBondContact O-OG 2.87Å
682	N	65.1	Low	70.4	Confident	170 Å²	170	117.3 Å²	117.3	91%	0.909	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-68.4	-5.3	171.6	-49.5	93.6	0	0	0	113.2	R680	R680-N682 VanDerWaalsContact C-N 3.34Å; R680-N682 PolarHBondContact O-N 3.48Å
683	G	54.2	Low	68	Low	36 Å²	36	123.9 Å²	123.9	37%	0.371	63%	0.631	S	S	.	*	G	3₁₀ helix	trans	-103.3	22.8	175.3	0	0	0	0	0	113.8	R680 D681 G685	R680-G683 CarbonylContact O-C 3.56Å; R680-G683 WeakPolarHBondContact O-CA 3.43Å; R680-G683 PolarHBondContact O-N 3.37Å; D681-G683 PolarHBondContact O-N 2.97Å; D681-G683 VanDerWaalsContact O-N 3.12Å; G683-G685 PolarHBondContact O-N 2.92Å
684	S	47.4	Very low	65.7	Low	99 Å²	99	128.9 Å²	128.9	69%	0.692	66%	0.657	S	S	*	*			trans	-63.3	38	-178	37.3	0	0	0	0	116	D681 R686	D681-S684 VanDerWaalsContact O-CB 3.29Å; D681-S684 WeakPolarHBondContact O-CB 3.41Å; D681-S684 PolarHBondContact O-N 3.14Å; D681-S684 PolarHBondContact O-OG 2.87Å; S684-R686 PolarHBondContact O-N 3.26Å; S684-R686 VanDerWaalsContact O-N 3.08Å
685	G	46.7	Very low	63.2	Low	61 Å²	61	134.7 Å²	134.7	63%	0.629	67%	0.666	S	S	*	*			trans	-64.9	103.6	175.3	0	0	0	0	0	113.7	G683 R687	G683-G685 PolarHBondContact O-N 2.92Å; G685-R687 PolarHBondContact O-N 3.36Å
686	R	53.5	Low	60.6	Low	205 Å²	205	134.5 Å²	134.5	77%	0.774	66%	0.662	S	S	*	*	S	Bend	trans	82.4	-9	150.9	-52.4	-179.6	174.3	-169.6	-1.5	120	S684	S684-R686 PolarHBondContact O-N 3.26Å; S684-R686 VanDerWaalsContact O-N 3.08Å
687	R	55.1	Low	58.2	Low	237 Å²	237	141.7 Å²	141.7	89%	0.894	69%	0.69	S	S	*	*	S	Bend	trans	-83	-32.7	-172.5	-109.1	-179.6	178.3	176.7	-0.8	117.5	G685 K689	G685-R687 PolarHBondContact O-N 3.36Å; R687-K689 PolarHBondContact O-N 3.03Å
688	E	53.7	Low	55.8	Low	171 Å²	171	142.8 Å²	142.8	80%	0.799	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-74	-24.6	-173.2	-62.6	-169.9	118.6	0	0	114.9	K690 G691	E688-K690 PolarHBondContact O-N 3.24Å; E688-G691 PolarHBondContact O-N 3.08Å
689	K	48.7	Very low	53.1	Low	189 Å²	189	144.9 Å²	144.9	82%	0.822	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-72.4	7.9	-171.4	-150.1	167.5	-174.2	171.6	0	115.2	R687	R687-K689 PolarHBondContact O-N 3.03Å
690	K	44.9	Very low	50.7	Low	173 Å²	173	144.2 Å²	144.2	75%	0.752	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-103.5	-29	169.6	-75.6	-170	173.9	-174	0	114.1	E688 R693	E688-K690 PolarHBondContact O-N 3.24Å; K690-R693 PolarHBondContact O-N 3.17Å
691	G	43.8	Very low	48	Very low	55 Å²	55	148.6 Å²	148.6	57%	0.567	73%	0.727	S	S	*	*	G	3₁₀ helix	trans	-65.9	-45.7	-178.1	0	0	0	0	0	113.1	E688 R693 L694	E688-G691 PolarHBondContact O-N 3.08Å; G691-R693 PolarHBondContact O-N 2.89Å; G691-R693 VanDerWaalsContact O-N 3.09Å; G691-L694 PolarHBondContact O-N 3.31Å
692	L	50.1	Low	46.1	Very low	142 Å²	142	147.2 Å²	147.2	74%	0.743	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-65.9	-11	179.7	-72.1	166.7	0	0	0	114.4
693	R	46.8	Very low	44.8	Very low	205 Å²	205	144.9 Å²	144.9	77%	0.774	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-97.6	-9.4	-178.8	-142.6	177	-172.5	-170.7	1.3	114.6	K690 G691	K690-R693 PolarHBondContact O-N 3.17Å; G691-R693 PolarHBondContact O-N 2.89Å; G691-R693 VanDerWaalsContact O-N 3.09Å
694	L	47.7	Very low	44.2	Very low	124 Å²	124	150.5 Å²	150.5	65%	0.649	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87	-37.1	166.4	-83.9	79.9	0	0	0	111.4	G691 Y696 K697	G691-L694 PolarHBondContact O-N 3.31Å; L694-Y696 PolarHBondContact O-N 3.26Å; L694-K697 PolarHBondContact O-N 3.4Å
695	R	41.4	Very low	43.6	Very low	214 Å²	214	150.6 Å²	150.6	81%	0.808	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-11.4	176.8	-114.4	-175.7	-175.6	-176.6	1.9	114.9
696	Y	38.9	Very low	43.1	Very low	180 Å²	180	158 Å²	158	71%	0.706	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	11.7	173.9	-145.4	-92.3	0	0	0	113	L694	L694-Y696 PolarHBondContact O-N 3.26Å
697	K	43.1	Very low	42.3	Very low	165 Å²	165	155.8 Å²	155.8	72%	0.717	75%	0.754	S	S	*	*	S	Bend	trans	-119.7	0.5	176.7	-93	-160.5	166.7	-158	0	114.3	L694	L694-K697 PolarHBondContact O-N 3.4Å
698	Q	39.1	Very low	41.6	Very low	167 Å²	167	151.2 Å²	151.2	78%	0.78	75%	0.748	S	S	*	*	S	Bend	trans	-97.3	10.3	174.4	-68.8	179.3	-57.1	0	0	113.1
699	T	36.5	Very low	40.9	Very low	109 Å²	109	151.6 Å²	151.6	67%	0.669	75%	0.754	S	S	*	*	S	Bend	trans	-126.8	22.6	-174.5	51.4	0	0	0	0	113.2
700	I	39.1	Very low	40.4	Very low	116 Å²	116	147 Å²	147	60%	0.595	74%	0.739	S	S	*	*	S	Bend	trans	-129.2	1.9	-176.3	-44.4	-178.5	0	0	0	111.7
701	N	35.5	Very low	40.2	Very low	161 Å²	161	140.1 Å²	140.1	86%	0.861	72%	0.717	S	S	*	*			trans	-111.7	55	177.7	-77.3	37.4	0	0	0	111.6
702	S	37.7	Very low	40.1	Very low	112 Å²	112	144.2 Å²	144.2	78%	0.783	72%	0.724	S	S	*	*			trans	-140.1	111.9	157.2	-162.8	0	0	0	0	107.7
703	T	36.3	Very low	39.5	Very low	121 Å²	121	145.3 Å²	145.3	74%	0.742	73%	0.726	S	S	*	*			trans	-66.2	127.2	161.8	39.1	0	0	0	0	108.5
704	D	41.7	Very low	39.3	Very low	155 Å²	155	142.2 Å²	142.2	83%	0.829	71%	0.714	S	S	*	*				-161.1	147.4	113.9	-87.6	-28.8	0	0	0	109.5
705	P	36.2	Very low	38.9	Very low	101 Å²	101	141.8 Å²	141.8	66%	0.656	71%	0.712	S	S	*	*			trans	-105.7	153.9	-174.9	39.7	-33.5	0	0	0	113.7
706	Y	34.5	Very low	39	Very low	216 Å²	216	137.9 Å²	137.9	85%	0.847	71%	0.706	S	S	*	*			trans	75.9	158.7	175	-71.8	-89.1	0	0	0	118.1
707	D	37.9	Very low	39	Very low	158 Å²	158	135.7 Å²	135.7	85%	0.845	71%	0.706	S	S	*	*			trans	73.7	151.7	173.3	-57.7	-21.5	0	0	0	120.8
708	D	41.1	Very low	38.8	Very low	141 Å²	141	135.7 Å²	135.7	75%	0.754	71%	0.706	S	S	*	*			trans	62.7	53.1	175.9	-123.5	40.4	0	0	0	120.6	D710	D708-D710 PolarHBondContact O-N 3.18Å
709	L	38.4	Very low	38.8	Very low	180 Å²	180	137.1 Å²	137.1	94%	0.942	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	59.3	156.8	-76.5	172.6	0	0	0	113.3
710	D	38.4	Very low	38.6	Very low	92 Å²	92	143.4 Å²	143.4	49%	0.492	72%	0.721	S	S	.	*	T	Hydrogen-bonded Turn	trans	-161.2	-6.9	172	-142.2	18.4	0	0	0	117.2	D708 R714	D708-D710 PolarHBondContact O-N 3.18Å; D710-R714 VanDerWaalsContact CG-CZ 3.49Å; D710-R714 PolarHBondContact O-NH1 3.04Å; D710-R714 IonicContact OD1-CZ 3.24Å; D710-R714 IonicContact OD1-NH1 2.81Å; D710-R714 PolarHBondContact OD1-NH1 2.94Å; D710-R714 IonicContact OD1-NH2 2.87Å; D710-R714 PolarHBondContact OD1-NH2 2.94Å; D710-R714 IonicContact OD2-CZ 3.88Å; D710-R714 IonicContact OD2-NH1 2.71Å; D710-R714 PolarHBondContact OD2-NH1 3.11Å; D710-R714 IonicContact OD2-NH2 3.19Å; D710-R714 PolarHBondContact OD2-NH2 3.08Å
711	G	39.9	Very low	38.2	Very low	29 Å²	29	142.1 Å²	142.1	30%	0.299	72%	0.723	S	S	.	*	S	Bend	trans	-84.5	-26.4	-166.6	0	0	0	0	0	117.8	N715	G711-N715 PolarHBondContact O-ND2 2.98Å; G711-N715 VanDerWaalsContact O-ND2 3.08Å
712	I	41.3	Very low	38.3	Very low	140 Å²	140	138.3 Å²	138.3	72%	0.718	71%	0.714	S	S	*	*	S	Bend	trans	-91.8	-36.4	-159.3	-63.1	178.4	0	0	0	113.7	R714 N715	I712-R714 PolarHBondContact O-N 2.91Å; I712-N715 PolarHBondContact O-N 3.01Å
713	E	38.2	Very low	38.2	Very low	166 Å²	166	141 Å²	141	78%	0.776	72%	0.719	S	S	*	*	H	α-helix	trans	-67	-23.9	-176.7	-165.3	161.5	-149.3	0	0	112.9
714	R	41.9	Very low	37.9	Very low	139 Å²	139	142.7 Å²	142.7	53%	0.525	72%	0.723	S	S	.	*	H	α-helix	trans	-79.4	-15.7	-178.8	-61.1	179.1	-176.2	130.5	-2.9	114.4	D710 I712 K718	D710-R714 VanDerWaalsContact CG-CZ 3.49Å; D710-R714 PolarHBondContact O-NH1 3.04Å; D710-R714 IonicContact OD1-CZ 3.24Å; D710-R714 IonicContact OD1-NH1 2.81Å; D710-R714 PolarHBondContact OD1-NH1 2.94Å; D710-R714 IonicContact OD1-NH2 2.87Å; D710-R714 PolarHBondContact OD1-NH2 2.94Å; D710-R714 IonicContact OD2-CZ 3.88Å; D710-R714 IonicContact OD2-NH1 2.71Å; D710-R714 PolarHBondContact OD2-NH1 3.11Å; D710-R714 IonicContact OD2-NH2 3.19Å; D710-R714 PolarHBondContact OD2-NH2 3.08Å; I712-R714 PolarHBondContact O-N 2.91Å; R714-K718 WeakPolarHBondContact O-CG 3.31Å
715	N	39.6	Very low	37.4	Very low	115 Å²	115	147 Å²	147	62%	0.615	73%	0.729	S	S	*	*	H	α-helix	trans	-97.2	-17.6	-174.8	-76.6	-52.9	0	0	0	114.1	G711 I712	G711-N715 PolarHBondContact O-ND2 2.98Å; G711-N715 VanDerWaalsContact O-ND2 3.08Å; I712-N715 PolarHBondContact O-N 3.01Å
716	I	44.9	Very low	37.3	Very low	133 Å²	133	145.4 Å²	145.4	68%	0.682	73%	0.732	S	S	*	*	H	α-helix	trans	-85	-26.7	173.1	-62.4	178.3	0	0	0	111.3
717	L	37	Very low	37.4	Very low	134 Å²	134	141.6 Å²	141.6	70%	0.702	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-10.5	174	-89.9	77.8	0	0	0	114.9	S721	L717-S721 PolarHBondContact O-OG 2.95Å
718	K	40	Very low	37.1	Very low	165 Å²	165	141.9 Å²	141.9	72%	0.717	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	5.3	-178.9	-83.3	-175	173.9	-178	0	115.5	R714	R714-K718 WeakPolarHBondContact O-CG 3.31Å
719	K	38.1	Very low	36.8	Very low	196 Å²	196	141.9 Å²	141.9	85%	0.852	72%	0.722	S	S	*	*	S	Bend	trans	-124.3	29.2	-178.4	-145.7	170.9	-173.9	174.9	0	114
720	R	33.8	Very low	36.7	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	71%	0.707	S	S	*	*	S	Bend	trans	-140	24.4	176.9	-102.4	-177	169.9	-177.4	-3.7	112.4
721	S	30.6	Very low	36.3	Very low	90 Å²	90	141.8 Å²	141.8	63%	0.629	72%	0.721	S	S	*	*	S	Bend	trans	-147.7	45.5	-161.7	28.9	0	0	0	0	111.2	L717	L717-S721 PolarHBondContact O-OG 2.95Å
722	A	36.4	Very low	35.9	Very low	81 Å²	81	150 Å²	150	67%	0.669	75%	0.749	S	S	*	*	S	Bend	trans	-145.9	169.6	166.6	0	0	0	0	0	108.2
723	D	36.1	Very low	35.4	Very low	169 Å²	169	151.8 Å²	151.8	90%	0.904	75%	0.751	S	S	*	*	S	Bend	trans	63	41.5	176.3	-53.3	-17.1	0	0	0	115.9
724	L	30.8	Very low	35.2	Very low	156 Å²	156	149.7 Å²	149.7	82%	0.817	76%	0.755	S	S	*	*			trans	-150.4	68.5	166.4	-134	179.1	0	0	0	112.8
725	Y	31.4	Very low	35	Very low	244 Å²	244	151.3 Å²	151.3	96%	0.957	77%	0.766	S	S	*	*			trans	-156	131.9	162.1	-99.2	-64.8	0	0	0	113.6
726	G	34.1	Very low	34.9	Very low	69 Å²	69	151.2 Å²	151.2	71%	0.711	77%	0.772	S	S	*	*			trans	102.8	129.3	167.6	0	0	0	0	0	115.2
727	T	36	Very low	34.2	Very low	136 Å²	136	152.1 Å²	152.1	83%	0.834	78%	0.778	S	S	*	*			cis	-153.1	138.3	-8.4	36.9	0	0	0	0	110.8
728	H	31.5	Very low	34.1	Very low	164 Å²	164	150.2 Å²	150.2	76%	0.759	78%	0.776	S	S	*	*			trans	27.5	133.8	140	-90.1	-138.9	0	0	0	119.3
729	E	35.5	Very low	33.8	Very low	140 Å²	140	149.2 Å²	149.2	65%	0.654	78%	0.777	S	S	*	*			cis	-179.1	170.5	48.8	-133.9	166.5	-115	0	0	115.1
730	N	35.5	Very low	33.6	Very low	117 Å²	117	147.1 Å²	147.1	63%	0.626	78%	0.775	S	S	*	*			trans	54.6	98.1	157.3	-55.7	-38.8	0	0	0	119.3
731	I	29.1	Very low	33.7	Very low	153 Å²	153	143 Å²	143	79%	0.785	77%	0.766	S	S	*	*				73.3	103.3	53.2	-51.9	167.8	0	0	0	115.5
732	K	33	Very low	33.7	Very low	202 Å²	202	144.1 Å²	144.1	88%	0.878	77%	0.771	S	S	*	*				-163.5	145.2	118	-133.4	167.3	-175.1	172.7	0	113.7
733	F	29.6	Very low	33.4	Very low	177 Å²	177	145 Å²	145	78%	0.776	77%	0.767	S	S	*	*			trans	-102.5	160.2	178.8	-100	-104.8	0	0	0	112
734	S	34.1	Very low	33	Very low	122 Å²	122	141.6 Å²	141.6	85%	0.853	76%	0.757	S	S	*	*				-174	135.5	126.3	-78.2	0	0	0	0	112.8
735	F	37.9	Very low	32.8	Very low	174 Å²	174	139.8 Å²	139.8	76%	0.763	75%	0.753	S	S	*	*			trans	-118.5	162.3	167.6	-82.3	-89.4	0	0	0	109.5
736	P	37.2	Very low	32.6	Very low	112 Å²	112	136.1 Å²	136.1	73%	0.727	75%	0.75	S	S	*	*				-125	135.9	125.1	2.8	18.8	0	0	0	110.6
737	N	31.6	Very low	32.2	Very low	152 Å²	152	143.4 Å²	143.4	81%	0.813	76%	0.756	S	S	*	*				71.7	140.9	70.5	-62.3	-20.6	0	0	0	112.7
738	S	34.5	Very low	31.7	Very low	94 Å²	94	144.2 Å²	144.2	66%	0.657	75%	0.754	S	S	*	*			cis	-155.6	158.4	19.5	71.6	0	0	0	0	114.9
739	I	33.3	Very low	31.5	Very low	144 Å²	144	140.7 Å²	140.7	74%	0.738	75%	0.748	S	S	*	*			trans	64.6	126.3	137.6	-69.6	164.9	0	0	0	117.6
740	N	34.1	Very low	31	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	75%	0.754	S	S	*	*			cis	-134.8	158.3	18.6	-114.3	-29.2	0	0	0	113.6
741	H	35.2	Very low	30.6	Very low	156 Å²	156	141.6 Å²	141.6	72%	0.722	76%	0.756	S	S	*	*			trans	-123.1	-168.1	-177.4	-125.3	-19.8	0	0	0	110	V743	H741-V743 WeakPolarHBondContact CE1-CG2 3.38Å; H741-V743 WeakPolarHBondContact NE2-CG2 3.32Å
742	P	31.2	Very low	30.7	Very low	112 Å²	112	141.5 Å²	141.5	73%	0.727	75%	0.752	S	S	*	*			cis	-125.6	-178.8	19.6	45.3	-29.5	0	0	0	114.2
743	V	29.5	Very low	30.6	Very low	99 Å²	99	139.4 Å²	139.4	60%	0.6	75%	0.745	S	S	*	*			cis	85.7	152.7	13.9	167.3	0	0	0	0	116.9	H741	H741-V743 WeakPolarHBondContact CE1-CG2 3.38Å; H741-V743 WeakPolarHBondContact NE2-CG2 3.32Å
744	S	28.1	Very low	30.6	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	74%	0.736	S	S	*	*			trans	75.1	133.5	-169.6	77.6	0	0	0	0	114
745	T	27.3	Very low	30.6	Very low	119 Å²	119	135.9 Å²	135.9	73%	0.73	73%	0.725	S	S	*	*			cis	55	93.2	0.8	72.3	0	0	0	0	117.1
746	N	27.1	Very low	30.3	Very low	166 Å²	166	133.7 Å²	133.7	89%	0.888	72%	0.721	S	S	*	*				-170.5	171.6	105.1	-98.8	-37.7	0	0	0	114.5
747	R	26.1	Very low	30.1	Very low	222 Å²	222	135.3 Å²	135.3	84%	0.838	72%	0.718	S	S	*	*			trans	-78.7	146	177.3	-90.6	-179.4	160.6	-148.2	-2.1	112.5
748	L	24.3	Very low	30.2	Very low	153 Å²	153	134.4 Å²	134.4	80%	0.801	71%	0.709	S	S	*	*			trans	65.6	151.7	160.4	-88.3	79.1	0	0	0	115
749	S	26.9	Very low	30.1	Very low	91 Å²	91	136.3 Å²	136.3	64%	0.636	71%	0.707	S	S	*	*			cis	-159.3	157.9	3.9	43.6	0	0	0	0	113.1
750	L	26.3	Very low	29.9	Very low	148 Å²	148	135.4 Å²	135.4	78%	0.775	70%	0.7	S	S	*	*			trans	76.5	126.2	144.7	-78.4	162.5	0	0	0	121.6
751	L	26.5	Very low	29.8	Very low	128 Å²	128	136 Å²	136	67%	0.67	70%	0.697	S	S	*	*			trans	89.9	121	142.4	-65.2	162.5	0	0	0	121.9
752	H	30.6	Very low	29.5	Very low	150 Å²	150	131.8 Å²	131.8	69%	0.694	70%	0.695	S	S	*	*			trans	74.4	111.6	140.2	-73.8	-167.4	0	0	0	118
753	H	31.3	Very low	29.3	Very low	159 Å²	159	133.8 Å²	133.8	74%	0.736	70%	0.699	S	S	*	*				84.8	138.1	78.3	-95.2	51.6	0	0	0	112.5
754	N	30.2	Very low	29.2	Very low	111 Å²	111	135.3 Å²	135.3	59%	0.594	70%	0.704	S	S	*	*			cis	-165.3	167.3	-18.9	-147.1	-10.3	0	0	0	110.1
755	N	32.7	Very low	29.1	Very low	114 Å²	114	137 Å²	137	61%	0.61	70%	0.704	S	S	*	*			trans	59.1	121.4	155.3	-62.2	-29.3	0	0	0	121.6
756	N	32	Very low	29	Very low	128 Å²	128	139.3 Å²	139.3	68%	0.684	71%	0.707	S	S	*	*				65.2	158.4	125	-52.2	-10.6	0	0	0	119.8
757	H	34.1	Very low	29	Very low	145 Å²	145	136.8 Å²	136.8	67%	0.671	70%	0.701	S	S	*	*			cis	-150.5	151.8	18.3	-117.1	-44.8	0	0	0	113.4
758	H	32.6	Very low	29.2	Very low	133 Å²	133	131 Å²	131	62%	0.616	70%	0.695	S	S	*	*			trans	40.3	130.3	135.9	-76.6	-33.4	0	0	0	124.7
759	H	32.1	Very low	29.4	Very low	135 Å²	135	129 Å²	129	63%	0.625	69%	0.693	S	S	*	*				72.9	160.2	126.8	-66.9	-36.8	0	0	0	120.2
760	H	30.2	Very low	29.6	Very low	124 Å²	124	129.9 Å²	129.9	57%	0.574	70%	0.699	S	S	*	*			cis	-159.8	156.1	-9.3	-117.9	-53.2	0	0	0	111.3
761	H	30.6	Very low	30	Very low	166 Å²	166	126.8 Å²	126.8	77%	0.769	69%	0.69	S	S	*	*			trans	59.9	165.5	146.8	-68.9	-54.2	0	0	0	122.7
762	G	28.8	Very low	30.3	Very low	66 Å²	66	129.1 Å²	129.1	68%	0.68	70%	0.697	S	S	*	*			trans	100.6	95.5	177.7	0	0	0	0	0	112.7
763	L	28	Very low	30.2	Very low	154 Å²	154	127.5 Å²	127.5	81%	0.806	70%	0.701	S	S	*	*			cis	83.6	145.4	47.5	-69.9	175	0	0	0	115.5
764	D	27.1	Very low	30.3	Very low	132 Å²	132	124.5 Å²	124.5	71%	0.706	70%	0.698	S	S	*	*			trans	71.3	151.7	157.6	-61.5	-13.1	0	0	0	120.2
765	I	26.3	Very low	30.4	Very low	134 Å²	134	124.1 Å²	124.1	69%	0.687	70%	0.704	S	S	*	*			cis	-164.6	176.3	-38.1	-126.3	170.2	0	0	0	109.2
766	Q	26.2	Very low	30.5	Very low	167 Å²	167	125.6 Å²	125.6	78%	0.78	71%	0.711	S	S	*	*			trans	72.6	116.8	162.6	-91	154.7	-1.6	0	0	121.2
767	C	25.4	Very low	30.5	Very low	113 Å²	113	123.7 Å²	123.7	76%	0.764	71%	0.707	S	S	*	*				38.4	143.6	110.8	-53.7	0	0	0	0	119.8
768	S	30.6	Very low	30.5	Very low	101 Å²	101	122.6 Å²	122.6	71%	0.706	71%	0.711	S	S	*	*				-166	168.8	56.4	-58.7	0	0	0	0	114
769	S	29.9	Very low	30.7	Very low	110 Å²	110	121 Å²	121	77%	0.769	71%	0.714	S	S	*	*			trans	35.1	141.7	143.1	59.2	0	0	0	0	121
770	S	31.1	Very low	30.6	Very low	109 Å²	109	121.8 Å²	121.8	76%	0.762	72%	0.72	S	S	*	*			cis	179.6	-174.5	-2.8	58.7	0	0	0	0	105.5
771	S	32.8	Very low	30.5	Very low	83 Å²	83	120 Å²	120	58%	0.58	72%	0.721	S	S	*	*			cis	-166.5	151.3	4.7	9.5	0	0	0	0	108.7
772	H	34.3	Very low	30.3	Very low	177 Å²	177	118 Å²	118	82%	0.819	72%	0.716	S	S	*	*			trans	73.8	136.1	151.7	-63	171.7	0	0	0	117.9
773	C	28.4	Very low	30.1	Very low	116 Å²	116	119.9 Å²	119.9	78%	0.784	71%	0.714	S	S	*	*			cis	113.9	143.7	24.5	-89.1	0	0	0	0	110
774	S	32.7	Very low	30.1	Very low	96 Å²	96	117.2 Å²	117.2	67%	0.671	71%	0.709	S	S	*	*			cis	-146.2	160.3	7.4	-59.3	0	0	0	0	112.3
775	S	32.9	Very low	30.1	Very low	103 Å²	103	116.5 Å²	116.5	72%	0.72	71%	0.714	S	S	*	*			trans	48	147.3	131.9	70.7	0	0	0	0	121
776	I	35	Very low	30	Very low	146 Å²	146	114.6 Å²	114.6	75%	0.749	71%	0.713	S	S	*	*			cis	-143.4	114.7	36.9	-79.9	176.3	0	0	0	106.3
777	S	32.4	Very low	30	Very low	87 Å²	87	113.3 Å²	113.3	61%	0.608	71%	0.709	S	S	*	*				61	139.2	76.4	70.9	0	0	0	0	113.4
778	T	33.6	Very low	30.1	Very low	123 Å²	123	115.3 Å²	115.3	76%	0.755	71%	0.711	S	S	*	*			cis	-159.2	169.9	18.6	-11.1	0	0	0	0	107.1	M780	T778-M780 HydrophobicContact CG2-CG 4.45Å
779	S	37.2	Very low	29.9	Very low	98 Å²	98	114.4 Å²	114.4	69%	0.685	70%	0.704	S	S	*	*			cis	-151.5	126.7	11.7	50	0	0	0	0	110.1
780	M	30.1	Very low	29.8	Very low	153 Å²	153	115.6 Å²	115.6	75%	0.754	71%	0.707	S	S	*	*				73.1	112.8	105.9	-55.2	-123.6	112.5	0	0	113.5	T778	T778-M780 HydrophobicContact CG2-CG 4.45Å
781	C	26.7	Very low	29.6	Very low	86 Å²	86	114.8 Å²	114.8	58%	0.581	70%	0.702	S	S	*	*				63.7	149.1	64.6	90.8	0	0	0	0	112.8
782	N	25.9	Very low	29.3	Very low	123 Å²	123	116.4 Å²	116.4	66%	0.658	70%	0.704	S	S	*	*			cis	-164.2	131.4	48.6	-123	4.8	0	0	0	109.6
783	T	26.4	Very low	29	Very low	106 Å²	106	115.2 Å²	115.2	65%	0.65	70%	0.699	S	S	*	*				75.3	154.1	99.8	62.5	0	0	0	0	118.7
784	S	26.2	Very low	28.9	Very low	99 Å²	99	116.6 Å²	116.6	69%	0.692	70%	0.697	S	S	*	*			trans	80.5	123.2	163.9	-51.6	0	0	0	0	114.9
785	S	27.1	Very low	28.6	Very low	116 Å²	116	120.4 Å²	120.4	81%	0.811	70%	0.702	S	S	*	*			cis	63.2	132.5	48.6	-47.7	0	0	0	0	110.4
786	S	25.9	Very low	28.3	Very low	95 Å²	95	118.3 Å²	118.3	66%	0.664	69%	0.687	S	S	*	*			cis	-172.5	149.7	28.9	49.5	0	0	0	0	111.6
787	I	26.3	Very low	27.9	Very low	139 Å²	139	114.2 Å²	114.2	71%	0.713	68%	0.681	S	S	*	*			trans	55.6	123.8	142.4	-50.8	159.2	0	0	0	116.1
788	I	27.1	Very low	27.5	Very low	156 Å²	156	115 Å²	115	80%	0.8	68%	0.678	S	S	*	*				-154.5	124.8	73.1	-72	164.7	0	0	0	105.9
789	S	26.5	Very low	27.2	Very low	81 Å²	81	112.8 Å²	112.8	57%	0.566	67%	0.667	S	S	*	*			cis	87.7	126.8	45.8	-71.3	0	0	0	0	115
790	T	27.1	Very low	26.6	Very low	135 Å²	135	114.6 Å²	114.6	83%	0.828	67%	0.669	S	S	*	*			trans	71	147.4	162.1	65.7	0	0	0	0	117.3
791	S	26.7	Very low	26.4	Very low	92 Å²	92	112.3 Å²	112.3	64%	0.643	67%	0.668	S	S	*	*			cis	-159	165.6	1.6	-131.2	0	0	0	0	116.4
792	N	27.4	Very low	26.3	Very low	118 Å²	118	116 Å²	116	63%	0.631	68%	0.681	S	S	*	*			trans	75.5	113.5	142.6	-71.1	-26.7	0	0	0	123.3
793	Q	27.6	Very low	26.4	Very low	151 Å²	151	114.4 Å²	114.4	71%	0.706	68%	0.68	S	S	*	*				57.2	119.3	119.4	-53.1	173.2	43.6	0	0	120.1
794	L	27.1	Very low	26.5	Very low	145 Å²	145	119.9 Å²	119.9	76%	0.759	69%	0.69	S	S	*	*				178.5	139.8	95.2	-87.9	160.6	0	0	0	113.2
795	F	26	Very low	26.6	Very low	177 Å²	177	120.6 Å²	120.6	78%	0.776	69%	0.69	S	S	*	*			trans	65.9	100	147.1	-88.2	-119.9	0	0	0	124.7
796	C	25.3	Very low	26.6	Very low	58 Å²	58	120.3 Å²	120.3	39%	0.392	69%	0.688	S	S	.	*				62.8	79.6	106.6	-60.8	0	0	0	0	122.2	R84	R84-C796 PolarHBondContact NH1-SG 3.18Å
797	G	27.6	Very low	26.7	Very low	60 Å²	60	120.8 Å²	120.8	62%	0.619	69%	0.691	S	S	*	*			trans	-84	-147.2	155.1	0	0	0	0	0	114	R84	R84-G797 PolarHBondContact NE-O 2.81Å; R84-G797 PolarHBondContact NH2-O 2.89Å
798	L	25	Very low	26.9	Very low	104 Å²	104	122.6 Å²	122.6	55%	0.545	70%	0.703	S	S	.	*			trans	164.3	159.1	153.7	-106.8	176.8	0	0	0	110.9	R84	R84-L798 HydrophobicContact CB-CD1 3.61Å; R84-L798 HydrophobicContact CG-CD1 3.62Å
799	S	25.7	Very low	26.9	Very low	77 Å²	77	123 Å²	123	54%	0.538	70%	0.701	S	S	.	*			trans	67.1	106.4	152.5	54.5	0	0	0	0	121.9
800	N	24.9	Very low	27.1	Very low	136 Å²	136	128.4 Å²	128.4	73%	0.727	72%	0.715	S	S	*	*				77.6	67.9	121.9	-62	-12.3	0	0	0	122
801	S	25.7	Very low	27.2	Very low	105 Å²	105	127.2 Å²	127.2	73%	0.734	71%	0.712	S	S	*	*				-150.2	154.2	127.7	59.8	0	0	0	0	111
802	L	25.8	Very low	27.3	Very low	163 Å²	163	127.1 Å²	127.1	85%	0.853	71%	0.711	S	S	*	*			trans	-122.7	84.3	179.9	-113.2	158.2	0	0	0	108.3	Y804	L802-Y804 HydrophobicContact CD2-CD2 4.14Å; L802-Y804 HydrophobicContact CD2-CE2 3.97Å
803	S	27.1	Very low	27.4	Very low	89 Å²	89	132 Å²	132	62%	0.622	72%	0.723	S	S	*	*			trans	-111.4	110.8	173.8	50.2	0	0	0	0	108.8
804	Y	29.3	Very low	27.5	Very low	222 Å²	222	129.4 Å²	129.4	87%	0.871	72%	0.721	S	S	*	*			trans	-93.3	101.6	168.7	-96.2	-88.4	0	0	0	108.8	L802	L802-Y804 HydrophobicContact CD2-CD2 4.14Å; L802-Y804 HydrophobicContact CD2-CE2 3.97Å
805	T	28.2	Very low	27.5	Very low	114 Å²	114	129.2 Å²	129.2	70%	0.699	72%	0.719	S	S	*	*			trans	-106.3	120.5	171.8	47.5	0	0	0	0	109.7
806	S	27.2	Very low	27.6	Very low	109 Å²	109	127 Å²	127	76%	0.762	72%	0.715	S	S	*	*			trans	18.9	110.4	150.3	55.4	0	0	0	0	118.7
807	S	27.2	Very low	27.9	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	73%	0.728	S	S	*	*				-175.2	114.4	120	-78.7	0	0	0	0	110.8
808	D	29.9	Very low	27.9	Very low	177 Å²	177	133.4 Å²	133.4	95%	0.947	73%	0.731	S	S	*	*			trans	-121.3	112.4	153	-81.2	-53	0	0	0	106.3
809	Q	28.6	Very low	28.2	Very low	166 Å²	166	135.1 Å²	135.1	78%	0.776	74%	0.736	S	S	*	*			trans	-115.8	144.4	174.6	-82.4	-168.4	0.6	0	0	109.7
810	F	29.2	Very low	28.4	Very low	193 Å²	193	138.8 Å²	138.8	85%	0.846	74%	0.744	S	S	*	*			trans	31	99.5	152.2	-71.5	-83	0	0	0	118.6
811	S	30.7	Very low	28.4	Very low	111 Å²	111	138 Å²	138	78%	0.776	75%	0.748	S	S	*	*			trans	-94.5	146.6	132.2	52.9	0	0	0	0	108.9
812	S	27	Very low	28.5	Very low	89 Å²	89	137 Å²	137	62%	0.622	75%	0.754	S	S	*	*			cis	-170.7	139.8	-15.9	47.8	0	0	0	0	108.3
813	Y	30.8	Very low	28.7	Very low	222 Å²	222	133 Å²	133	87%	0.871	75%	0.752	S	S	*	*			trans	-169.5	100	139.3	-96.3	-57.5	0	0	0	112.2
814	S	29	Very low	28.8	Very low	95 Å²	95	133.7 Å²	133.7	66%	0.664	76%	0.757	S	S	*	*			trans	57.9	124.7	133.4	-62.1	0	0	0	0	123.7
815	I	28	Very low	28.8	Very low	141 Å²	141	128.3 Å²	128.3	72%	0.723	75%	0.752	S	S	*	*				87.8	84.2	129.5	-64.8	171	0	0	0	117.8
816	D	28.3	Very low	28.8	Very low	131 Å²	131	127.6 Å²	127.6	70%	0.701	75%	0.752	S	S	*	*				93.3	143.7	111.6	-69.6	2.8	0	0	0	124.2
817	N	30.3	Very low	28.9	Very low	123 Å²	123	127.6 Å²	127.6	66%	0.658	75%	0.752	S	S	*	*			trans	79.8	83.4	147	-69.6	-32.3	0	0	0	121.4
818	L	28	Very low	29.1	Very low	130 Å²	130	126.8 Å²	126.8	68%	0.681	75%	0.746	S	S	*	*				81.7	127.1	106.4	-105.3	59.4	0	0	0	121
819	H	30.6	Very low	29.1	Very low	139 Å²	139	124.4 Å²	124.4	64%	0.644	73%	0.733	S	S	*	*			trans	91.3	120.9	130.1	-83.5	-21.6	0	0	0	122.3
820	H	29.8	Very low	29.2	Very low	154 Å²	154	122.6 Å²	122.6	71%	0.713	73%	0.729	S	S	*	*			trans	66.7	149.4	141.2	-63.7	116.7	0	0	0	119.6
821	C	25.5	Very low	29.4	Very low	119 Å²	119	120.7 Å²	120.7	80%	0.804	72%	0.722	S	S	*	*			cis	-177.7	148.8	-36.7	-116	0	0	0	0	109
822	G	28.4	Very low	29.3	Very low	84 Å²	84	122.6 Å²	122.6	87%	0.866	72%	0.724	S	S	*	*			trans	76.5	173.2	162.2	0	0	0	0	0	116.7
823	G	29.6	Very low	29.5	Very low	79 Å²	79	122 Å²	122	81%	0.814	73%	0.732	S	S	*	*			trans	126.1	30.8	177.8	0	0	0	0	0	116.3
824	S	29	Very low	29.4	Very low	104 Å²	104	118.8 Å²	118.8	73%	0.727	73%	0.73	S	S	*	*			trans	-53.4	160.4	-178.2	-46.1	0	0	0	0	116.3
825	S	29.1	Very low	29.3	Very low	110 Å²	110	120.6 Å²	120.6	77%	0.769	73%	0.732	S	S	*	*			trans	67.9	150.3	141.9	53.4	0	0	0	0	120
826	S	29	Very low	29.2	Very low	98 Å²	98	120.5 Å²	120.5	69%	0.685	73%	0.733	S	S	*	*			cis	-173.7	170.7	-17.5	51.5	0	0	0	0	109.5
827	S	29.4	Very low	29.2	Very low	109 Å²	109	123.2 Å²	123.2	76%	0.762	74%	0.738	S	S	*	*			trans	66.8	140.9	151.5	-69	0	0	0	0	118.2
828	S	31.2	Very low	29.1	Very low	88 Å²	88	122.8 Å²	122.8	62%	0.615	75%	0.745	S	S	*	*			cis	-176.2	177	6.6	44.9	0	0	0	0	111.4
829	N	30.1	Very low	29.1	Very low	128 Å²	128	123.7 Å²	123.7	68%	0.684	75%	0.749	S	S	*	*			trans	75.8	109.1	147.6	-66.7	-11	0	0	0	121.4
830	N	30.8	Very low	28.7	Very low	128 Å²	128	124.3 Å²	124.3	68%	0.684	76%	0.757	S	S	*	*				86.7	130.3	116.4	-63.7	-6.8	0	0	0	123
831	H	31.7	Very low	28.6	Very low	152 Å²	152	121.4 Å²	121.4	70%	0.704	76%	0.755	S	S	*	*			trans	75.8	127.6	140	-79	-51.9	0	0	0	122.4
832	N	29.5	Very low	28.7	Very low	152 Å²	152	123.5 Å²	123.5	81%	0.813	76%	0.757	S	S	*	*			trans	44.4	100.5	131.9	-53	11.2	0	0	0	117.6
833	G	30.5	Very low	28.8	Very low	77 Å²	77	124 Å²	124	79%	0.794	75%	0.745	S	S	*	*			trans	-158.7	106.9	173.4	0	0	0	0	0	114.7
834	N	29.2	Very low	28.7	Very low	153 Å²	153	125.4 Å²	125.4	82%	0.818	74%	0.742	S	S	*	*			trans	-37.7	139.6	165.3	-63	-36.4	0	0	0	116.2
835	N	27.6	Very low	28.8	Very low	134 Å²	134	127.8 Å²	127.8	72%	0.717	75%	0.746	S	S	*	*				27.1	119	122.5	-59.1	-28.4	0	0	0	119.6
836	N	26.6	Very low	28.8	Very low	138 Å²	138	126.1 Å²	126.1	74%	0.738	73%	0.734	S	S	*	*			trans	72.1	121.9	130.7	-69.3	-38	0	0	0	122.5
837	K	28	Very low	28.7	Very low	188 Å²	188	130.4 Å²	130.4	82%	0.817	74%	0.741	S	S	*	*			trans	82.6	162.4	133.2	-72.2	-178.9	176.1	-176.8	0	120.7
838	S	27.1	Very low	28.5	Very low	114 Å²	114	130.3 Å²	130.3	80%	0.797	74%	0.739	S	S	*	*			trans	70.3	143.3	-173.9	78.9	0	0	0	0	113
839	I	27.5	Very low	28.3	Very low	149 Å²	149	133.4 Å²	133.4	76%	0.764	74%	0.743	S	S	*	*	S	Bend	cis	-127.1	138.2	6.3	-66.5	170	0	0	0	105.1
840	D	23.7	Very low	28.2	Very low	152 Å²	152	134.3 Å²	134.3	81%	0.813	75%	0.748	S	S	*	*	S	Bend		-114.1	170.1	53.5	-92.6	-50.5	0	0	0	118.5
841	S	27.5	Very low	27.9	Very low	94 Å²	94	132.2 Å²	132.2	66%	0.657	74%	0.743	S	S	*	*			trans	-32.6	122.8	179.2	58.5	0	0	0	0	118.5
842	L	26.6	Very low	27.7	Very low	162 Å²	162	132.8 Å²	132.8	85%	0.848	75%	0.751	S	S	*	*				45.8	152.7	112.5	-68	162.7	0	0	0	121.1
843	P	30.7	Very low	27.7	Very low	95 Å²	95	129 Å²	129	62%	0.617	75%	0.748	S	S	*	*			cis	-139.1	148	-11.5	35.1	-15.9	0	0	0	116.5
844	S	28.6	Very low	27.5	Very low	108 Å²	108	134.9 Å²	134.9	76%	0.755	75%	0.751	S	S	*	*			trans	62.4	170.4	145.1	74.5	0	0	0	0	117.4
845	L	30.3	Very low	27.4	Very low	154 Å²	154	134.4 Å²	134.4	81%	0.806	75%	0.748	S	S	*	*			cis	-139.4	172.3	-2.5	-84.7	180	0	0	0	106.7
846	S	28.2	Very low	27.2	Very low	76 Å²	76	132.4 Å²	132.4	53%	0.531	75%	0.745	S	S	.	*			cis	179.8	155.6	-37.6	60.4	0	0	0	0	108.8
847	F	28.6	Very low	27.4	Very low	188 Å²	188	131.6 Å²	131.6	83%	0.825	75%	0.745	S	S	*	*			trans	70.6	126.5	175.5	-71.5	-93	0	0	0	114.9
848	C	25.4	Very low	27.4	Very low	106 Å²	106	127.7 Å²	127.7	72%	0.716	74%	0.737	S	S	*	*			cis	93.8	150.3	49.5	-79.8	0	0	0	0	112.3
849	H	26.4	Very low	27.6	Very low	153 Å²	153	130.4 Å²	130.4	71%	0.708	73%	0.734	S	S	*	*			cis	-177.8	164.7	-13.5	-168.2	-68.4	0	0	0	106.5
850	L	26.6	Very low	27.7	Very low	148 Å²	148	129.2 Å²	129.2	78%	0.775	73%	0.73	S	S	*	*			trans	67.8	158.4	175.3	-66.1	110.6	0	0	0	116.2
851	S	26.2	Very low	28.1	Very low	84 Å²	84	129.3 Å²	129.3	59%	0.587	73%	0.729	S	S	*	*			cis	-170.8	152.9	-24.5	53.2	0	0	0	0	112.2
852	D	27	Very low	28.3	Very low	164 Å²	164	128.3 Å²	128.3	88%	0.877	73%	0.727	S	S	*	*			trans	21.5	139.5	140.3	-52.1	-64.2	0	0	0	123.1
853	G	30.1	Very low	28.5	Very low	72 Å²	72	125.8 Å²	125.8	74%	0.742	72%	0.723	S	S	*	*			trans	133.2	103	164.5	0	0	0	0	0	112.6
854	K	25	Very low	28.4	Very low	200 Å²	200	126.3 Å²	126.3	87%	0.87	73%	0.728	S	S	*	*			cis	82.9	140.6	28.7	-152.9	-178.6	-176	176.9	0	114
855	L	27.2	Very low	28.5	Very low	143 Å²	143	126 Å²	126	75%	0.749	73%	0.727	S	S	*	*			trans	69	116.2	-168.6	-87.3	50.9	0	0	0	113.1
856	S	24.9	Very low	28.4	Very low	93 Å²	93	127 Å²	127	65%	0.65	73%	0.731	S	S	*	*			cis	87.5	166.3	27.7	92.3	0	0	0	0	115.7
857	T	29.4	Very low	28.3	Very low	120 Å²	120	128 Å²	128	74%	0.736	74%	0.738	S	S	*	*			trans	80.5	139.5	-177.8	77.6	0	0	0	0	115.1
858	T	28.3	Very low	28.3	Very low	106 Å²	106	124.7 Å²	124.7	65%	0.65	73%	0.729	S	S	*	*			cis	-168.6	154.2	-12.1	15.9	0	0	0	0	110.5
859	K	31	Very low	28.8	Very low	171 Å²	171	123.1 Å²	123.1	74%	0.743	72%	0.718	S	S	*	*			trans	67.6	149.1	146.6	-68.1	170.7	179.3	-176.9	0	117.4
860	D	30.5	Very low	28.8	Very low	125 Å²	125	125.3 Å²	125.3	67%	0.668	72%	0.721	S	S	*	*			cis	-157.7	166.5	-8	-100.6	-25.5	0	0	0	106.2
861	L	31.8	Very low	29.1	Very low	154 Å²	154	123.7 Å²	123.7	81%	0.806	72%	0.719	S	S	*	*			cis	-152.6	-149.4	13.4	-135.4	171.5	0	0	0	109.7
862	A	31.8	Very low	29.4	Very low	73 Å²	73	127.7 Å²	127.7	60%	0.603	73%	0.733	S	S	*	*			trans	19	114.3	153.8	0	0	0	0	0	119.9
863	S	30.2	Very low	29.5	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	73%	0.727	S	S	*	*				74.6	132.7	60.5	75.1	0	0	0	0	114.3
864	S	29.6	Very low	29.6	Very low	105 Å²	105	131 Å²	131	73%	0.734	73%	0.727	S	S	*	*			cis	-168.8	176.1	2.3	36.1	0	0	0	0	112.5
865	S	30.8	Very low	29.8	Very low	103 Å²	103	131.6 Å²	131.6	72%	0.72	72%	0.724	S	S	*	*			trans	64.3	95.2	157.5	44.7	0	0	0	0	121.9
866	L	26.7	Very low	30	Very low	173 Å²	173	133.8 Å²	133.8	91%	0.906	72%	0.724	S	S	*	*				35.7	101.1	121.8	-63.2	164.6	0	0	0	122.3
867	S	27.4	Very low	30.3	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	73%	0.73	S	S	*	*				178.6	143.2	129.8	48.8	0	0	0	0	112.6
868	L	28.6	Very low	30.3	Very low	120 Å²	120	138.5 Å²	138.5	63%	0.628	73%	0.73	S	S	*	*			trans	33.6	-145.7	164.1	-82.5	160.9	0	0	0	117.9	E59	E59-L868 HydrophobicContact CG-CD1 3.75Å; E59-L868 WeakPolarHBondContact OE1-CD1 3.4Å
869	P	35	Very low	30.5	Very low	73 Å²	73	138.3 Å²	138.3	47%	0.474	73%	0.73	S	S	.	*			cis	-112.5	-157.3	-46.5	3.4	18.6	0	0	0	115.6	E57	E57-P869 WeakPolarHBondContact OE1-CG 3.3Å
870	Y	26.2	Very low	30.3	Very low	199 Å²	199	136.6 Å²	136.6	78%	0.78	73%	0.734	S	S	*	*			trans	-52.7	163.8	180	-61.1	-98.3	0	0	0	118.4
871	P	34.3	Very low	30.3	Very low	114 Å²	114	135.8 Å²	135.8	74%	0.74	74%	0.738	S	S	*	*			trans	-105.3	109.8	159.5	35.4	-25.8	0	0	0	113.7
872	L	30.6	Very low	30.2	Very low	167 Å²	167	135.2 Å²	135.2	87%	0.874	74%	0.735	S	S	*	*			trans	-82.4	164.9	162.1	-91.7	165.9	0	0	0	111.7
873	W	30.9	Very low	29.9	Very low	197 Å²	197	138.2 Å²	138.2	75%	0.746	74%	0.741	S	S	*	*			trans	-127.3	135.9	166.3	-103.9	-26.3	0	0	0	111.8	N237	N237-W873 HydrophobicContact CB-CE3 3.64Å; N237-W873 HydrophobicContact CB-CH2 4.28Å; N237-W873 HydrophobicContact CB-CZ3 3.44Å; N237-W873 VanDerWaalsContact CB-CZ3 3.44Å; N237-W873 VanDerWaalsContact CG-CZ3 3.46Å; N237-W873 VanDerWaalsContact ND2-CH2 3.27Å; N237-W873 WeakPolarHBondContact ND2-CH2 3.47Å; N237-W873 WeakPolarHBondContact ND2-CZ3 3.33Å
874	S	31.5	Very low	29.9	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	74%	0.741	S	S	*	*			trans	-119.8	169.2	-160.8	42.8	0	0	0	0	113.7
875	R	29	Very low	29.9	Very low	214 Å²	214	138.8 Å²	138.8	81%	0.808	74%	0.74	S	S	*	*			trans	-174.1	155	143.6	-108.2	168.2	-163.7	-146.1	3.5	116.2
876	Y	31.5	Very low	29.6	Very low	188 Å²	188	141 Å²	141	74%	0.737	74%	0.743	S	S	*	*			trans	83.2	107.9	177.3	-61.7	-81.7	0	0	0	115
877	F	30.6	Very low	29.8	Very low	176 Å²	176	140.2 Å²	140.2	77%	0.772	74%	0.738	S	S	*	*				70.5	130.5	71.3	-81.2	-74.7	0	0	0	111.1
878	D	30.7	Very low	29.8	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	74%	0.742	S	S	*	*			cis	-157.9	149.2	3.5	-148.8	15	0	0	0	108.6
879	P	31.2	Very low	29.9	Very low	102 Å²	102	141.3 Å²	141.3	66%	0.662	75%	0.751	S	S	*	*			trans	-93.7	166.6	-172.7	36.4	-33.9	0	0	0	114.8
880	T	28.4	Very low	29.7	Very low	135 Å²	135	145.1 Å²	145.1	83%	0.828	77%	0.767	S	S	*	*			trans	68.1	110.3	172.6	69.2	0	0	0	0	117.7
881	S	30	Very low	29.7	Very low	108 Å²	108	143 Å²	143	76%	0.755	77%	0.769	S	S	*	*				177.9	140.4	102.5	44.9	0	0	0	0	114.4
882	L	28.4	Very low	29.6	Very low	142 Å²	142	143.5 Å²	143.5	74%	0.743	77%	0.771	S	S	*	*			trans	51.8	109.2	144.5	-62.6	169.2	0	0	0	120.4
883	N	27.2	Very low	29.4	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	77%	0.772	S	S	*	*				74	132.2	126.4	-68	-11.4	0	0	0	121.1
884	S	28.7	Very low	29.5	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	77%	0.769	S	S	*	*			trans	76.9	151.8	134.9	74.2	0	0	0	0	118.9
885	T	29.8	Very low	29.5	Very low	118 Å²	118	144.4 Å²	144.4	72%	0.724	77%	0.769	S	S	*	*			cis	-170	138.4	-22.7	-91.4	0	0	0	0	105.9
886	L	25.7	Very low	29.7	Very low	151 Å²	151	142 Å²	142	79%	0.791	77%	0.766	S	S	*	*			trans	21.4	116.8	157.7	-57.8	168.2	0	0	0	119.5
887	I	31.1	Very low	29.8	Very low	155 Å²	155	138 Å²	138	80%	0.795	76%	0.761	S	S	*	*			trans	-170.6	114.4	134.5	-92	142.7	0	0	0	104.8
888	S	25.5	Very low	30	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	76%	0.76	S	S	*	*			cis	72.1	68.1	33.4	-156.8	0	0	0	0	114.9
889	T	31.2	Very low	30.2	Very low	131 Å²	131	135.2 Å²	135.2	80%	0.804	75%	0.754	S	S	*	*			trans	-142.1	137	155.3	37.9	0	0	0	0	112.4
890	N	30.7	Very low	30.3	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	76%	0.761	S	S	*	*			trans	-74.6	170.4	-172.3	-62.5	-81.7	0	0	0	115.2
891	L	27.3	Very low	30.5	Very low	155 Å²	155	138.9 Å²	138.9	81%	0.812	76%	0.756	S	S	*	*			trans	-30.6	152.7	155.8	-97.1	66.5	0	0	0	115
892	P	30.8	Very low	31	Very low	123 Å²	123	138.8 Å²	138.8	80%	0.799	75%	0.753	S	S	*	*				-130.7	164.7	111.6	37.6	-31.6	0	0	0	114.8
893	R	28.1	Very low	31.3	Very low	233 Å²	233	140.6 Å²	140.6	88%	0.879	76%	0.755	S	S	*	*			trans	-132.2	113.1	-177.7	175.9	-175.4	-177.2	161.7	2.8	110.4
894	S	31.7	Very low	31.5	Very low	98 Å²	98	141.6 Å²	141.6	69%	0.685	76%	0.758	S	S	*	*			trans	-168.1	154.1	-179	50.1	0	0	0	0	112.4
895	Q	32.5	Very low	31.8	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.752	75%	0.754	S	S	*	*			cis	-167.3	144.2	-15.9	-109.1	171	16.3	0	0	108.2
896	H	33.6	Very low	32	Very low	164 Å²	164	145 Å²	145	76%	0.759	76%	0.762	S	S	*	*			trans	158.6	111.5	131.5	-85	-59.1	0	0	0	111.4
897	T	33	Very low	32.4	Very low	102 Å²	102	143.3 Å²	143.3	63%	0.626	76%	0.762	S	S	*	*				72.2	123.6	83	-38.6	0	0	0	0	111.5
898	V	34.1	Very low	32.8	Very low	123 Å²	123	141.9 Å²	141.9	75%	0.745	76%	0.763	S	S	*	*				-154.8	127.6	65.9	163	0	0	0	0	113.4
899	H	34.5	Very low	33.2	Very low	132 Å²	132	141.7 Å²	141.7	61%	0.611	76%	0.762	S	S	*	*			trans	38.5	141.8	145.3	-63.1	-114.5	0	0	0	122.1
900	Y	33.1	Very low	33.3	Very low	209 Å²	209	140.6 Å²	140.6	82%	0.82	76%	0.759	S	S	*	*			cis	-128.7	165.7	11.6	-76.3	-90.6	0	0	0	110.6
901	C	34.7	Very low	33.4	Very low	106 Å²	106	138 Å²	138	72%	0.716	75%	0.753	S	S	*	*			cis	92.9	147.4	29.4	-82.8	0	0	0	0	116.4
902	P	39.6	Very low	33.7	Very low	105 Å²	105	135.4 Å²	135.4	68%	0.682	75%	0.748	S	S	*	*				-146.5	-167.3	-124.3	44.6	-25.6	0	0	0	117.2
903	K	34.1	Very low	33.8	Very low	180 Å²	180	134.1 Å²	134.1	78%	0.783	74%	0.742	S	S	*	*			trans	175	127	131.9	-93.6	159.1	-172.9	-179.8	0	113.1
904	I	32.7	Very low	33.9	Very low	156 Å²	156	128.4 Å²	128.4	80%	0.8	74%	0.737	S	S	*	*				70.6	132.3	92.9	-65.5	-175.7	0	0	0	112.9
905	S	33.8	Very low	34	Very low	94 Å²	94	128.6 Å²	128.6	66%	0.657	74%	0.739	S	S	*	*			cis	-160.4	158.9	20.3	45.1	0	0	0	0	115.4
906	K	33.7	Very low	33.9	Very low	205 Å²	205	126.2 Å²	126.2	89%	0.891	74%	0.74	S	S	*	*			trans	40.8	149.5	132.6	-58	177.8	-177.2	-176.8	0	120.7
907	S	34.5	Very low	33.9	Very low	114 Å²	114	124.1 Å²	124.1	80%	0.797	74%	0.744	S	S	*	*			cis	-162.1	164.8	13.1	36.5	0	0	0	0	112.7
908	P	39.1	Very low	33.8	Very low	125 Å²	125	124.6 Å²	124.6	81%	0.812	75%	0.752	S	S	*	*			trans	-110.3	159.6	178.6	40.5	-33.1	0	0	0	115.4
909	S	34	Very low	33.6	Very low	106 Å²	106	124.2 Å²	124.2	74%	0.741	75%	0.754	S	S	*	*			trans	-173.2	145.7	158.4	57.7	0	0	0	0	113.9
910	S	33.3	Very low	33.4	Very low	108 Å²	108	123.3 Å²	123.3	76%	0.755	76%	0.763	S	S	*	*			trans	59.1	145	152.1	49.5	0	0	0	0	120.2
911	S	33.6	Very low	33.3	Very low	98 Å²	98	120.1 Å²	120.1	69%	0.685	76%	0.758	S	S	*	*			cis	-168.5	167.1	-8	49.2	0	0	0	0	110.4
912	S	33.3	Very low	33	Very low	102 Å²	102	124.3 Å²	124.3	71%	0.713	77%	0.767	S	S	*	*			trans	59.6	141.4	149.7	52.5	0	0	0	0	119.9
913	S	32.3	Very low	32.4	Very low	96 Å²	96	129.3 Å²	129.3	67%	0.671	77%	0.774	S	S	*	*			cis	-177.6	159	-12.2	46.8	0	0	0	0	108.7
914	S	31.1	Very low	32.3	Very low	112 Å²	112	124.2 Å²	124.2	78%	0.783	76%	0.761	S	S	*	*			trans	61.3	148.6	159.7	42.2	0	0	0	0	118.1
915	S	33.2	Very low	32.2	Very low	103 Å²	103	124.5 Å²	124.5	72%	0.72	76%	0.757	S	S	*	*			cis	-159.8	140.6	-3.7	39.9	0	0	0	0	111.5
916	S	31.9	Very low	32.1	Very low	110 Å²	110	126 Å²	126	77%	0.769	76%	0.758	S	S	*	*			trans	2.9	129.2	150.7	57.5	0	0	0	0	120.5
917	S	32.1	Very low	32.1	Very low	121 Å²	121	123.3 Å²	123.3	85%	0.846	75%	0.746	S	S	*	*				-154.3	139.7	117.1	51.6	0	0	0	0	111
918	S	31.5	Very low	32.3	Very low	112 Å²	112	122.8 Å²	122.8	78%	0.783	73%	0.733	S	S	*	*			trans	-147.4	167.1	-179.5	-56.6	0	0	0	0	109.4
919	S	29.8	Very low	32.2	Very low	114 Å²	114	123.2 Å²	123.2	80%	0.797	72%	0.724	S	S	*	*			trans	73.5	156.8	-177	81.6	0	0	0	0	116.2
920	S	29.4	Very low	32.3	Very low	114 Å²	114	122.3 Å²	122.3	80%	0.797	71%	0.711	S	S	*	*			trans	67.1	121.3	-162.4	-50.2	0	0	0	0	113.3
921	I	30.7	Very low	32.7	Very low	141 Å²	141	121.6 Å²	121.6	72%	0.723	70%	0.699	S	S	*	*			cis	-128.3	106.6	12.6	-64.5	169.9	0	0	0	110.2	Y923	I921-Y923 PolarHBondContact O-N 2.93Å
922	E	28.4	Very low	33.5	Very low	194 Å²	194	123.9 Å²	123.9	91%	0.907	70%	0.699	S	S	*	*			trans	-87.6	56.9	169.3	-169.9	165.8	-136.7	0	0	110.2
923	Y	27.6	Very low	34	Very low	211 Å²	211	122.3 Å²	122.3	83%	0.827	69%	0.688	S	S	*	*			trans	-151.1	36.8	-167.9	-119.8	-75.4	0	0	0	115	I921	I921-Y923 PolarHBondContact O-N 2.93Å
924	S	31.4	Very low	35.1	Very low	73 Å²	73	121.1 Å²	121.1	51%	0.51	67%	0.673	S	S	.	*	S	Bend	trans	-130.3	-40.5	175.7	-69.2	0	0	0	0	115.2	K927	S924-K927 PolarHBondContact O-N 3.39Å
925	F	31.5	Very low	36.4	Very low	162 Å²	162	119.7 Å²	119.7	71%	0.711	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-66.6	-45.2	-171.6	-98.4	-99.5	0	0	0	113.6	K927 I928 Q929	F925-K927 PolarHBondContact O-N 3.24Å; F925-I928 PolarHBondContact O-N 3Å; F925-Q929 PolarHBondContact O-N 3.02Å
926	N	32.1	Very low	37.5	Very low	125 Å²	125	122 Å²	122	67%	0.668	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-66.7	4.1	175	-81.7	-12.9	0	0	0	114.9	N930	N926-N930 WeakPolarHBondContact O-CB 3.16Å; N926-N930 PolarHBondContact O-ND2 2.95Å
927	K	33.2	Very low	38.9	Very low	149 Å²	149	123.2 Å²	123.2	65%	0.648	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-106.2	-10.6	169	-154.1	165.8	-172.3	171.9	0	113.6	S924 F925 N931	S924-K927 PolarHBondContact O-N 3.39Å; F925-K927 PolarHBondContact O-N 3.24Å; K927-N931 VanDerWaalsContact O-CB 3.3Å; K927-N931 WeakPolarHBondContact O-CB 3.48Å; K927-N931 PolarHBondContact O-N 2.95Å; K927-N931 PolarHBondContact O-ND2 2.86Å
928	I	39.4	Very low	40.5	Very low	103 Å²	103	124.1 Å²	124.1	53%	0.528	63%	0.629	S	S	.	*	H	α-helix	trans	-89.7	-46.9	175.2	-62.7	175.7	0	0	0	109.9	F925 N931 H932	F925-I928 PolarHBondContact O-N 3Å; I928-N931 PolarHBondContact O-N 2.85Å; I928-H932 PolarHBondContact O-N 3.13Å; I928-H932 VanDerWaalsContact O-N 3.07Å
929	Q	36.5	Very low	42.1	Very low	133 Å²	133	124 Å²	124	62%	0.621	62%	0.616	S	S	*	*	H	α-helix	trans	-62.7	-44.9	172.8	-77	170.5	-76.6	0	0	112.1	F925 N931 H932 S933	F925-Q929 PolarHBondContact O-N 3.02Å; Q929-N931 VanDerWaalsContact C-N 3.33Å; Q929-N931 PolarHBondContact O-N 2.87Å; Q929-H932 WeakPolarHBondContact O-CB 3.22Å; Q929-H932 PolarHBondContact O-N 3.1Å; Q929-H932 VanDerWaalsContact O-N 3.14Å; Q929-S933 PolarHBondContact O-N 2.91Å
930	N	36.6	Very low	44.2	Very low	87 Å²	87	123.6 Å²	123.6	47%	0.465	60%	0.602	S	S	.	*	H	α-helix	trans	-64.9	-32.2	175.9	-84.9	-55.6	0	0	0	113.4	N926 S933 I934	N926-N930 WeakPolarHBondContact O-CB 3.16Å; N926-N930 PolarHBondContact O-ND2 2.95Å; N930-S933 PolarHBondContact O-N 3.44Å; N930-I934 VanDerWaalsContact O-CB 3.3Å; N930-I934 WeakPolarHBondContact O-CB 3.5Å; N930-I934 VanDerWaalsContact O-CG1 3.24Å; N930-I934 WeakPolarHBondContact O-CG1 3.38Å; N930-I934 PolarHBondContact O-N 3.25Å
931	N	41.3	Very low	46	Very low	94 Å²	94	124.1 Å²	124.1	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-69.3	-34.9	172.8	-84	-7.5	0	0	0	112	K927 I928 Q929 E935	K927-N931 VanDerWaalsContact O-CB 3.3Å; K927-N931 WeakPolarHBondContact O-CB 3.48Å; K927-N931 PolarHBondContact O-N 2.95Å; K927-N931 PolarHBondContact O-ND2 2.86Å; I928-N931 PolarHBondContact O-N 2.85Å; Q929-N931 VanDerWaalsContact C-N 3.33Å; Q929-N931 PolarHBondContact O-N 2.87Å; N931-E935 VanDerWaalsContact O-CB 3.3Å; N931-E935 WeakPolarHBondContact O-CB 2.98Å; N931-E935 PolarHBondContact O-N 2.87Å
932	H	49.1	Very low	47.7	Very low	146 Å²	146	123.8 Å²	123.8	68%	0.676	58%	0.581	S	S	*	*	H	α-helix	trans	-64.2	-46.7	171.9	-95.6	-97.9	0	0	0	111.7	I928 Q929 E935 F936	I928-H932 PolarHBondContact O-N 3.13Å; I928-H932 VanDerWaalsContact O-N 3.07Å; Q929-H932 WeakPolarHBondContact O-CB 3.22Å; Q929-H932 PolarHBondContact O-N 3.1Å; Q929-H932 VanDerWaalsContact O-N 3.14Å; H932-E935 PolarHBondContact O-N 2.83Å; H932-F936 VanDerWaalsContact O-CB 3.26Å; H932-F936 WeakPolarHBondContact O-CB 3.43Å; H932-F936 PolarHBondContact O-N 3.36Å
933	S	45.5	Very low	49.4	Very low	69 Å²	69	120.5 Å²	120.5	48%	0.483	57%	0.566	S	S	.	*	H	α-helix	trans	-60.5	-47.7	175.7	-178.4	0	0	0	0	112.1	Q929 N930 E935 F936 Q937	Q929-S933 PolarHBondContact O-N 2.91Å; N930-S933 PolarHBondContact O-N 3.44Å; S933-E935 PolarHBondContact O-N 2.8Å; S933-F936 PolarHBondContact O-N 3.34Å; S933-Q937 WeakPolarHBondContact O-CB 3.5Å; S933-Q937 PolarHBondContact O-N 3.05Å
934	I	53.6	Low	51.1	Low	70 Å²	70	114.3 Å²	114.3	36%	0.359	55%	0.545	S	S	.	.	H	α-helix	trans	-64.7	-38.7	178.8	-71.8	168.1	0	0	0	112.1	N930 R938	N930-I934 VanDerWaalsContact O-CB 3.3Å; N930-I934 WeakPolarHBondContact O-CB 3.5Å; N930-I934 VanDerWaalsContact O-CG1 3.24Å; N930-I934 WeakPolarHBondContact O-CG1 3.38Å; N930-I934 PolarHBondContact O-N 3.25Å; I934-R938 VanDerWaalsContact CG2-NE 3.32Å; I934-R938 WeakPolarHBondContact O-CB 3.36Å; I934-R938 VanDerWaalsContact O-CG 3.23Å; I934-R938 WeakPolarHBondContact O-CG 3.31Å; I934-R938 PolarHBondContact O-N 2.91Å
935	E	58.5	Low	52.5	Low	82 Å²	82	115.4 Å²	115.4	38%	0.383	54%	0.541	S	S	.	.	H	α-helix	trans	-75.9	-32.9	178.3	-165.1	61.3	-156.8	0	0	111.9	N931 H932 S933 R938 Q939 R942	N931-E935 VanDerWaalsContact O-CB 3.3Å; N931-E935 WeakPolarHBondContact O-CB 2.98Å; N931-E935 PolarHBondContact O-N 2.87Å; H932-E935 PolarHBondContact O-N 2.83Å; S933-E935 PolarHBondContact O-N 2.8Å; E935-R938 CarbonylContact O-C 3.5Å; E935-R938 PolarHBondContact O-N 3.31Å; E935-R938 VanDerWaalsContact OE2-CD 3.32Å; E935-R938 WeakPolarHBondContact OE2-CD 3.41Å; E935-Q939 WeakPolarHBondContact O-CG 3.23Å; E935-Q939 PolarHBondContact O-N 2.9Å; E935-R942 IonicContact OE1-CZ 2.71Å; E935-R942 IonicContact OE1-NH1 3.45Å; E935-R942 IonicContact OE1-NH2 2.68Å; E935-R942 PolarHBondContact OE1-NH2 2.94Å
936	F	57.1	Low	53.7	Low	152 Å²	152	114.4 Å²	114.4	67%	0.667	54%	0.537	S	S	*	.	H	α-helix	trans	-60.7	-48.3	168.6	-176.8	-95.7	0	0	0	110.9	H932 S933 R938 Q939 H940	H932-F936 VanDerWaalsContact O-CB 3.26Å; H932-F936 WeakPolarHBondContact O-CB 3.43Å; H932-F936 PolarHBondContact O-N 3.36Å; S933-F936 PolarHBondContact O-N 3.34Å; F936-R938 VanDerWaalsContact C-N 3.31Å; F936-R938 PolarHBondContact O-N 3.4Å; F936-Q939 CarbonylContact O-C 3.6Å; F936-Q939 WeakPolarHBondContact O-CA 3.39Å; F936-Q939 PolarHBondContact O-N 3.49Å; F936-H940 PolarHBondContact O-N 3.41Å
937	Q	60.9	Low	54.8	Low	135 Å²	135	111.9 Å²	111.9	63%	0.631	52%	0.523	S	S	*	.	H	α-helix	trans	-62	-37.1	176.3	-155.3	173.8	38.8	0	0	111.7	S933 Q941	S933-Q937 WeakPolarHBondContact O-CB 3.5Å; S933-Q937 PolarHBondContact O-N 3.05Å; Q937-Q941 VanDerWaalsContact O-CB 3.23Å; Q937-Q941 WeakPolarHBondContact O-CB 3.38Å; Q937-Q941 PolarHBondContact O-N 2.83Å
938	R	66.2	Low	55.6	Low	140 Å²	140	108.7 Å²	108.7	53%	0.528	51%	0.513	S	S	.	.	H	α-helix	trans	-69.7	-24.9	170.3	-71.7	169.6	-164.3	-121.5	5.2	113.8	I934 E935 F936 R942	I934-R938 VanDerWaalsContact CG2-NE 3.32Å; I934-R938 WeakPolarHBondContact O-CB 3.36Å; I934-R938 VanDerWaalsContact O-CG 3.23Å; I934-R938 WeakPolarHBondContact O-CG 3.31Å; I934-R938 PolarHBondContact O-N 2.91Å; E935-R938 CarbonylContact O-C 3.5Å; E935-R938 PolarHBondContact O-N 3.31Å; E935-R938 VanDerWaalsContact OE2-CD 3.32Å; E935-R938 WeakPolarHBondContact OE2-CD 3.41Å; F936-R938 VanDerWaalsContact C-N 3.31Å; F936-R938 PolarHBondContact O-N 3.4Å; R938-R942 WeakPolarHBondContact O-CB 3.34Å; R938-R942 WeakPolarHBondContact O-CG 3.41Å; R938-R942 PolarHBondContact O-N 3.17Å; R938-R942 PolarHBondContact O-NE 3.43Å
939	Q	65.9	Low	56.2	Low	109 Å²	109	109.6 Å²	109.6	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-79.1	-45.4	172.9	-76.1	-159.8	37.6	0	0	110.9	E935 F936 Q941 R942 Q943	E935-Q939 WeakPolarHBondContact O-CG 3.23Å; E935-Q939 PolarHBondContact O-N 2.9Å; F936-Q939 CarbonylContact O-C 3.6Å; F936-Q939 WeakPolarHBondContact O-CA 3.39Å; F936-Q939 PolarHBondContact O-N 3.49Å; Q939-Q941 VanDerWaalsContact C-N 3.32Å; Q939-Q941 PolarHBondContact O-N 2.88Å; Q939-R942 CarbonylContact O-C 3.54Å; Q939-R942 WeakPolarHBondContact O-CA 3.45Å; Q939-R942 PolarHBondContact O-N 3.45Å; Q939-Q943 PolarHBondContact O-N 3.07Å
940	H	73.3	Confident	57	Low	106 Å²	106	106 Å²	106	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-58.7	-43.4	173.1	-167	-35.4	0	0	0	111.3	F936 R942 Q943 Q944	F936-H940 PolarHBondContact O-N 3.41Å; H940-R942 VanDerWaalsContact C-N 3.3Å; H940-R942 PolarHBondContact O-N 3.41Å; H940-Q943 PolarHBondContact O-N 2.92Å; H940-Q944 PolarHBondContact CE1-OE1 3Å; H940-Q944 PolarHBondContact O-N 3.35Å
941	Q	66.7	Low	57.4	Low	125 Å²	125	106.1 Å²	106.1	58%	0.584	50%	0.501	S	S	*	.	H	α-helix	trans	-67.2	-28.5	175.8	-166.9	174.8	64.5	0	0	112.7	Q937 Q939 Q945	Q937-Q941 VanDerWaalsContact O-CB 3.23Å; Q937-Q941 WeakPolarHBondContact O-CB 3.38Å; Q937-Q941 PolarHBondContact O-N 2.83Å; Q939-Q941 VanDerWaalsContact C-N 3.32Å; Q939-Q941 PolarHBondContact O-N 2.88Å; Q941-Q945 WeakPolarHBondContact O-CB 3.23Å; Q941-Q945 VanDerWaalsContact O-CG 3.27Å; Q941-Q945 WeakPolarHBondContact O-CG 3.48Å; Q941-Q945 PolarHBondContact O-N 2.93Å; Q941-Q945 VanDerWaalsContact O-N 3.08Å
942	R	67.7	Low	57.5	Low	135 Å²	135	110.5 Å²	110.5	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-76.8	-33.1	171.5	-85.9	177.9	-73.5	-173.4	-3.5	113.2	E935 R938 Q939 H940 F946	E935-R942 IonicContact OE1-CZ 2.71Å; E935-R942 IonicContact OE1-NH1 3.45Å; E935-R942 IonicContact OE1-NH2 2.68Å; E935-R942 PolarHBondContact OE1-NH2 2.94Å; R938-R942 WeakPolarHBondContact O-CB 3.34Å; R938-R942 WeakPolarHBondContact O-CG 3.41Å; R938-R942 PolarHBondContact O-N 3.17Å; R938-R942 PolarHBondContact O-NE 3.43Å; Q939-R942 CarbonylContact O-C 3.54Å; Q939-R942 WeakPolarHBondContact O-CA 3.45Å; Q939-R942 PolarHBondContact O-N 3.45Å; H940-R942 VanDerWaalsContact C-N 3.3Å; H940-R942 PolarHBondContact O-N 3.41Å; R942-F946 PolarHBondContact O-N 3.01Å; R942-F946 VanDerWaalsContact O-N 3.13Å
943	Q	63.2	Low	57.4	Low	124 Å²	124	108.4 Å²	108.4	58%	0.579	50%	0.503	S	S	*	.	H	α-helix	trans	-67.7	-44.9	170.9	-73.1	-170.1	9.2	0	0	110.7	Q939 H940 Q945 F946 I947	Q939-Q943 PolarHBondContact O-N 3.07Å; H940-Q943 PolarHBondContact O-N 2.92Å; Q943-Q945 PolarHBondContact O-N 3.25Å; Q943-F946 CarbonylContact O-C 3.59Å; Q943-F946 WeakPolarHBondContact O-CA 3.38Å; Q943-F946 WeakPolarHBondContact O-CB 3.24Å; Q943-F946 PolarHBondContact O-N 3.17Å; Q943-I947 WeakPolarHBondContact O-CG1 3.44Å; Q943-I947 PolarHBondContact O-N 3.29Å
944	Q	63.8	Low	57.3	Low	82 Å²	82	111.8 Å²	111.8	38%	0.383	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-47.2	175.7	-149.5	68.3	45.8	0	0	111.2	H940 F946 I947 D948	H940-Q944 PolarHBondContact CE1-OE1 3Å; H940-Q944 PolarHBondContact O-N 3.35Å; Q944-F946 PolarHBondContact O-N 2.98Å; Q944-F946 VanDerWaalsContact O-N 3.1Å; Q944-I947 PolarHBondContact O-N 3.3Å; Q944-I947 VanDerWaalsContact O-N 3.13Å; Q944-D948 WeakPolarHBondContact O-CB 3.3Å; Q944-D948 PolarHBondContact O-N 2.95Å
945	Q	60.1	Low	56.6	Low	95 Å²	95	113.6 Å²	113.6	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-65.5	-9.9	172.8	-74.7	-178.1	22.5	0	0	115	Q941 Q943 K949	Q941-Q945 WeakPolarHBondContact O-CB 3.23Å; Q941-Q945 VanDerWaalsContact O-CG 3.27Å; Q941-Q945 WeakPolarHBondContact O-CG 3.48Å; Q941-Q945 PolarHBondContact O-N 2.93Å; Q941-Q945 VanDerWaalsContact O-N 3.08Å; Q943-Q945 PolarHBondContact O-N 3.25Å; Q945-K949 VanDerWaalsContact O-CD 3.22Å; Q945-K949 WeakPolarHBondContact O-CD 3.45Å; Q945-K949 VanDerWaalsContact O-CG 3.25Å; Q945-K949 WeakPolarHBondContact O-CG 3.47Å
946	F	57.5	Low	55.8	Low	142 Å²	142	115.5 Å²	115.5	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-91.7	-41.7	170.8	-158.9	-86.3	0	0	0	110.7	R942 Q943 Q944 K949 T950	R942-F946 PolarHBondContact O-N 3.01Å; R942-F946 VanDerWaalsContact O-N 3.13Å; Q943-F946 CarbonylContact O-C 3.59Å; Q943-F946 WeakPolarHBondContact O-CA 3.38Å; Q943-F946 WeakPolarHBondContact O-CB 3.24Å; Q943-F946 PolarHBondContact O-N 3.17Å; Q944-F946 PolarHBondContact O-N 2.98Å; Q944-F946 VanDerWaalsContact O-N 3.1Å; F946-K949 CarbonylContact O-C 3.55Å; F946-K949 WeakPolarHBondContact O-CA 3.3Å; F946-K949 WeakPolarHBondContact O-CB 3.42Å; F946-K949 PolarHBondContact O-N 2.78Å; F946-K949 VanDerWaalsContact O-N 3.08Å; F946-T950 HydrophobicContact CD1-CG2 3.9Å; F946-T950 HydrophobicContact CE1-CG2 3.67Å; F946-T950 PolarHBondContact O-N 2.86Å; F946-T950 PolarHBondContact O-OG1 3.47Å
947	I	54.9	Low	54.8	Low	71 Å²	71	113.7 Å²	113.7	36%	0.364	53%	0.53	S	S	.	.	H	α-helix	trans	-60	-52.7	172.5	-65.3	165.4	0	0	0	109.9	Q943 Q944 K949 T950 D951	Q943-I947 WeakPolarHBondContact O-CG1 3.44Å; Q943-I947 PolarHBondContact O-N 3.29Å; Q944-I947 PolarHBondContact O-N 3.3Å; Q944-I947 VanDerWaalsContact O-N 3.13Å; I947-K949 PolarHBondContact O-N 3.46Å; I947-T950 WeakPolarHBondContact CA-OG1 3.36Å; I947-T950 PolarHBondContact O-N 2.96Å; I947-T950 PolarHBondContact O-OG1 2.87Å; I947-D951 WeakPolarHBondContact O-CB 3.4Å; I947-D951 VanDerWaalsContact O-CG 3.31Å; I947-D951 PolarHBondContact O-N 3.15Å
948	D	49.7	Very low	53.6	Low	82 Å²	82	114.5 Å²	114.5	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-55.4	-19.6	173.5	-63.8	-16.2	0	0	0	113.3	Q944 R952	Q944-D948 WeakPolarHBondContact O-CB 3.3Å; Q944-D948 PolarHBondContact O-N 2.95Å; D948-R952 WeakPolarHBondContact O-CB 3.35Å; D948-R952 WeakPolarHBondContact O-CD 3.32Å; D948-R952 WeakPolarHBondContact O-CG 3.5Å
949	K	51.6	Low	52	Low	123 Å²	123	116.1 Å²	116.1	54%	0.535	55%	0.55	S	S	.	.	H	α-helix	trans	-97.5	-32.6	175.7	-78.4	177.5	-170.9	149.1	0	113.5	Q945 F946 I947 I953	Q945-K949 VanDerWaalsContact O-CD 3.22Å; Q945-K949 WeakPolarHBondContact O-CD 3.45Å; Q945-K949 VanDerWaalsContact O-CG 3.25Å; Q945-K949 WeakPolarHBondContact O-CG 3.47Å; F946-K949 CarbonylContact O-C 3.55Å; F946-K949 WeakPolarHBondContact O-CA 3.3Å; F946-K949 WeakPolarHBondContact O-CB 3.42Å; F946-K949 PolarHBondContact O-N 2.78Å; F946-K949 VanDerWaalsContact O-N 3.08Å; I947-K949 PolarHBondContact O-N 3.46Å; K949-I953 WeakPolarHBondContact O-CB 3.3Å; K949-I953 WeakPolarHBondContact O-CD1 3.33Å; K949-I953 WeakPolarHBondContact O-CG1 3.36Å; K949-I953 PolarHBondContact O-N 2.85Å
950	T	53.7	Low	50.4	Low	57 Å²	57	115.8 Å²	115.8	35%	0.35	56%	0.559	S	S	.	*	H	α-helix	trans	-70.5	-37.7	172.4	45.4	0	0	0	0	111	F946 I947 I953 H954	F946-T950 HydrophobicContact CD1-CG2 3.9Å; F946-T950 HydrophobicContact CE1-CG2 3.67Å; F946-T950 PolarHBondContact O-N 2.86Å; F946-T950 PolarHBondContact O-OG1 3.47Å; I947-T950 WeakPolarHBondContact CA-OG1 3.36Å; I947-T950 PolarHBondContact O-N 2.96Å; I947-T950 PolarHBondContact O-OG1 2.87Å; T950-I953 CarbonylContact O-C 3.49Å; T950-I953 WeakPolarHBondContact O-CA 3.18Å; T950-I953 PolarHBondContact O-N 2.92Å; T950-H954 PolarHBondContact O-N 3.08Å
951	D	45	Very low	48.2	Very low	90 Å²	90	116 Å²	116	48%	0.481	57%	0.573	S	S	.	*	H	α-helix	trans	-68.6	-44.7	177.4	-61.6	-9.7	0	0	0	109.7	I947 I953 H954 D955	I947-D951 WeakPolarHBondContact O-CB 3.4Å; I947-D951 VanDerWaalsContact O-CG 3.31Å; I947-D951 PolarHBondContact O-N 3.15Å; D951-I953 PolarHBondContact O-N 3.08Å; D951-I953 VanDerWaalsContact O-N 3.11Å; D951-H954 WeakPolarHBondContact O-CA 3.38Å; D951-H954 WeakPolarHBondContact O-CB 3.34Å; D951-H954 PolarHBondContact O-N 2.98Å; D951-D955 PolarHBondContact O-N 2.88Å
952	R	43.9	Very low	46.5	Very low	185 Å²	185	114 Å²	114	70%	0.698	58%	0.578	S	S	*	*	H	α-helix	trans	-63.9	-11.9	168.6	-76.2	-178.1	173.4	-156.3	-2.3	115.2	D948 I956	D948-R952 WeakPolarHBondContact O-CB 3.35Å; D948-R952 WeakPolarHBondContact O-CD 3.32Å; D948-R952 WeakPolarHBondContact O-CG 3.5Å; R952-I956 WeakPolarHBondContact O-CD1 3.38Å; R952-I956 WeakPolarHBondContact O-CG1 3.34Å
953	I	46.8	Very low	44.8	Very low	103 Å²	103	114.2 Å²	114.2	53%	0.528	59%	0.594	S	S	.	*	H	α-helix	trans	-95.5	-23.5	171.5	-75.7	167.1	0	0	0	111	K949 T950 D951 N957	K949-I953 WeakPolarHBondContact O-CB 3.3Å; K949-I953 WeakPolarHBondContact O-CD1 3.33Å; K949-I953 WeakPolarHBondContact O-CG1 3.36Å; K949-I953 PolarHBondContact O-N 2.85Å; T950-I953 CarbonylContact O-C 3.49Å; T950-I953 WeakPolarHBondContact O-CA 3.18Å; T950-I953 PolarHBondContact O-N 2.92Å; D951-I953 PolarHBondContact O-N 3.08Å; D951-I953 VanDerWaalsContact O-N 3.11Å; I953-N957 PolarHBondContact O-ND2 3.05Å
954	H	43	Very low	43.2	Very low	140 Å²	140	115.4 Å²	115.4	65%	0.648	61%	0.605	S	S	*	*	H	α-helix	trans	-69.5	-46.8	166.2	-123.4	-77.8	0	0	0	110.8	T950 D951 I956 N957	T950-H954 PolarHBondContact O-N 3.08Å; D951-H954 WeakPolarHBondContact O-CA 3.38Å; D951-H954 WeakPolarHBondContact O-CB 3.34Å; D951-H954 PolarHBondContact O-N 2.98Å; H954-I956 PolarHBondContact O-N 2.87Å; H954-I956 VanDerWaalsContact O-N 3.15Å; H954-N957 PolarHBondContact O-N 3.11Å; H954-N957 VanDerWaalsContact O-N 3.08Å
955	D	39.5	Very low	41.7	Very low	107 Å²	107	118.9 Å²	118.9	57%	0.572	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-27	175.8	-70.4	-18.3	0	0	0	113.7	D951	D951-D955 PolarHBondContact O-N 2.88Å
956	I	41.4	Very low	40.1	Very low	122 Å²	122	118.5 Å²	118.5	63%	0.626	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-16.7	-179.1	-75.5	174.3	0	0	0	112.7	R952 H954	R952-I956 WeakPolarHBondContact O-CD1 3.38Å; R952-I956 WeakPolarHBondContact O-CG1 3.34Å; H954-I956 PolarHBondContact O-N 2.87Å; H954-I956 VanDerWaalsContact O-N 3.15Å
957	N	36.1	Very low	38.9	Very low	115 Å²	115	122 Å²	122	62%	0.615	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-17.5	177.2	-76.3	-71.3	0	0	0	113.8	I953 H954	I953-N957 PolarHBondContact O-ND2 3.05Å; H954-N957 PolarHBondContact O-N 3.11Å; H954-N957 VanDerWaalsContact O-N 3.08Å
958	E	35.7	Very low	37.7	Very low	152 Å²	152	125.1 Å²	125.1	71%	0.71	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-6.5	176.8	-62	-157.5	138.4	0	0	114.3	S961	E958-S961 PolarHBondContact O-OG 3.04Å
959	M	33.1	Very low	36.7	Very low	174 Å²	174	127.6 Å²	127.6	86%	0.857	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	12.2	-179	-82.2	-163.8	163.5	0	0	116.1
960	S	32.4	Very low	35.7	Very low	101 Å²	101	127.4 Å²	127.4	71%	0.706	69%	0.69	S	S	*	*			trans	-110	-2	-177.7	64	0	0	0	0	115.5	A962	S960-A962 PolarHBondContact O-N 3.08Å
961	S	27	Very low	34.5	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	71%	0.707	S	S	*	*			trans	-79.4	31.2	-176.4	51.5	0	0	0	0	114.7	E958	E958-S961 PolarHBondContact O-OG 3.04Å
962	A	29.7	Very low	33.9	Very low	82 Å²	82	130 Å²	130	68%	0.678	72%	0.718	S	S	*	*			trans	-147	52.3	-165.2	0	0	0	0	0	117.1	S960	S960-A962 PolarHBondContact O-N 3.08Å
963	T	33.4	Very low	33.2	Very low	140 Å²	140	126.9 Å²	126.9	86%	0.859	72%	0.719	S	S	*	*			trans	-153.7	116.5	145.5	34.7	0	0	0	0	112.5
964	N	28.9	Very low	32.2	Very low	149 Å²	149	128 Å²	128	80%	0.797	73%	0.731	S	S	*	*			trans	-71	137.3	153.4	-68.3	-57.4	0	0	0	108.4
965	N	32.2	Very low	31.4	Very low	154 Å²	154	127 Å²	127	82%	0.824	74%	0.735	S	S	*	*				-177.1	137.9	114.5	-90.1	-27.2	0	0	0	113.3
966	S	27.2	Very low	30.7	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	75%	0.747	S	S	*	*			trans	-45.1	142.4	170	53	0	0	0	0	115.5
967	F	30.7	Very low	30	Very low	216 Å²	216	130.1 Å²	130.1	95%	0.947	75%	0.752	S	S	*	*			trans	-135.5	140.2	131.6	-112	-81.6	0	0	0	110.6
968	N	29.9	Very low	29.6	Very low	136 Å²	136	129.9 Å²	129.9	73%	0.727	76%	0.759	S	S	*	*			trans	-94.5	150.2	-168	-89.3	-48.2	0	0	0	113.2
969	L	30.1	Very low	29.1	Very low	134 Å²	134	129.2 Å²	129.2	70%	0.702	76%	0.76	S	S	*	*			trans	28.3	145.6	131.3	-112	77.7	0	0	0	120.1
970	P	30.9	Very low	28.7	Very low	119 Å²	119	125.4 Å²	125.4	77%	0.773	75%	0.75	S	S	*	*				-137.2	139.7	75.1	36.5	-22.9	0	0	0	116.2
971	S	27.7	Very low	28.3	Very low	100 Å²	100	125.3 Å²	125.3	70%	0.699	75%	0.75	S	S	*	*			trans	-79.5	144	152.6	-49.1	0	0	0	0	109.5
972	S	33	Very low	28.5	Very low	102 Å²	102	129.5 Å²	129.5	71%	0.713	75%	0.754	S	S	*	*			trans	-146.8	115.5	165.6	43.3	0	0	0	0	109.9
973	T	29.4	Very low	28.3	Very low	119 Å²	119	129.7 Å²	129.7	73%	0.73	75%	0.751	S	S	*	*				81.3	86.5	99	-52.5	0	0	0	0	110.9
974	V	25	Very low	28	Very low	127 Å²	127	129.5 Å²	129.5	77%	0.77	75%	0.749	S	S	*	*				61.5	103.8	86.3	179.3	0	0	0	0	112.8
975	T	26.3	Very low	28	Very low	120 Å²	120	127 Å²	127	74%	0.736	74%	0.743	S	S	*	*			trans	-142.6	96.4	155.1	0.6	0	0	0	0	109.6	Q977	T975-Q977 HydrophobicContact CG2-CG 4.34Å; T975-Q977 PolarHBondContact O-N 3.13Å
976	V	24.2	Very low	27.7	Very low	138 Å²	138	124 Å²	124	84%	0.836	73%	0.734	S	S	*	*			trans	-79.7	110.1	159.2	177.7	0	0	0	0	106.4
977	Q	27.8	Very low	27.7	Very low	156 Å²	156	127 Å²	127	73%	0.729	74%	0.743	S	S	*	*			trans	-121.3	94.9	172.6	-87.2	-171	-27.1	0	0	111.4	T975 L979	T975-Q977 HydrophobicContact CG2-CG 4.34Å; T975-Q977 PolarHBondContact O-N 3.13Å; Q977-L979 PolarHBondContact O-N 2.79Å
978	S	26.6	Very low	27.5	Very low	109 Å²	109	122.4 Å²	122.4	76%	0.762	73%	0.733	S	S	*	*			trans	-72.6	109.5	152.8	52.3	0	0	0	0	109.6
979	L	26.5	Very low	27.4	Very low	139 Å²	139	120.8 Å²	120.8	73%	0.728	73%	0.732	S	S	*	*			trans	-162.7	93.5	161.5	-90.3	134.1	0	0	0	105.9	Q977	Q977-L979 PolarHBondContact O-N 2.79Å
980	S	23.6	Very low	27.3	Very low	93 Å²	93	117.4 Å²	117.4	65%	0.65	73%	0.729	S	S	*	*				72.1	131	81.7	74.6	0	0	0	0	115.1
981	S	25.2	Very low	27.1	Very low	100 Å²	100	119.7 Å²	119.7	70%	0.699	74%	0.735	S	S	*	*			trans	55.3	104	160.1	62.1	0	0	0	0	119.1
982	K	29.6	Very low	27.1	Very low	199 Å²	199	119.1 Å²	119.1	87%	0.865	73%	0.731	S	S	*	*				-159.2	106.1	105.5	-96.2	151.1	-175	177.1	0	107.9
983	S	25.6	Very low	27.1	Very low	87 Å²	87	119.7 Å²	119.7	61%	0.608	73%	0.734	S	S	*	*				75.6	146.2	53.9	81.4	0	0	0	0	113.4
984	T	27.4	Very low	27.3	Very low	135 Å²	135	119.1 Å²	119.1	83%	0.828	73%	0.733	S	S	*	*			trans	71.8	132	-170.3	71.2	0	0	0	0	114.2
985	S	28.4	Very low	27.5	Very low	96 Å²	96	120 Å²	120	67%	0.671	73%	0.732	S	S	*	*			cis	-162.8	171	-15.4	50.4	0	0	0	0	110.7
986	S	26.9	Very low	27.7	Very low	91 Å²	91	120.3 Å²	120.3	64%	0.636	73%	0.734	S	S	*	*			trans	57.8	132.8	138	60.5	0	0	0	0	120.5
987	L	26.5	Very low	27.9	Very low	152 Å²	152	116.7 Å²	116.7	80%	0.796	72%	0.724	S	S	*	*			cis	-162.7	179.5	-0.4	-116.2	172.1	0	0	0	109.4
988	T	25.8	Very low	28	Very low	118 Å²	118	114.8 Å²	114.8	72%	0.724	72%	0.723	S	S	*	*			trans	-36	149.5	151.5	56.7	0	0	0	0	112.3
989	S	27.7	Very low	28.1	Very low	102 Å²	102	114.7 Å²	114.7	71%	0.713	72%	0.723	S	S	*	*			cis	-154.6	159.4	26.6	42.4	0	0	0	0	108.7
990	G	28.3	Very low	28.3	Very low	63 Å²	63	112.2 Å²	112.2	65%	0.649	72%	0.717	S	S	*	*			cis	91.2	157.4	33.4	0	0	0	0	0	110.1
991	L	27.4	Very low	28.5	Very low	168 Å²	168	113.9 Å²	113.9	88%	0.88	72%	0.723	S	S	*	*			trans	70.6	143.4	-171.1	-48.9	171.7	0	0	0	114.5
992	S	26.6	Very low	28.7	Very low	88 Å²	88	115.2 Å²	115.2	62%	0.615	72%	0.721	S	S	*	*			cis	-166.8	119.5	-22.4	47.8	0	0	0	0	110.9
993	S	33.1	Very low	28.7	Very low	113 Å²	113	110.6 Å²	110.6	79%	0.79	71%	0.709	S	S	*	*			trans	59.1	-158.5	142.9	-47.7	0	0	0	0	114.9
994	P	35.3	Very low	28.8	Very low	108 Å²	108	112.6 Å²	112.6	70%	0.701	71%	0.713	S	S	*	*				-107.1	-152.7	-73.1	27.8	-10.3	0	0	0	108.9
995	L	28.8	Very low	29	Very low	144 Å²	144	111.6 Å²	111.6	75%	0.754	71%	0.707	S	S	*	*			cis	-166.1	129.5	17.9	-163.6	61	0	0	0	108.8
996	V	29.3	Very low	29	Very low	128 Å²	128	111.6 Å²	111.6	78%	0.776	70%	0.704	S	S	*	*			trans	55.5	149.8	136.5	178.3	0	0	0	0	120.3	T998	V996-T998 HydrophobicContact CG1-CG2 4.41Å
997	G	29	Very low	29.3	Very low	61 Å²	61	114.1 Å²	114.1	63%	0.629	71%	0.71	S	S	*	*			trans	131.9	51.9	176.3	0	0	0	0	0	112.1
998	T	30.1	Very low	29.4	Very low	116 Å²	116	111.6 Å²	111.6	71%	0.712	70%	0.701	S	S	*	*				30.8	105.4	83.6	65.8	0	0	0	0	110.1	V996	V996-T998 HydrophobicContact CG1-CG2 4.41Å
999	S	29.1	Very low	29.7	Very low	108 Å²	108	112.7 Å²	112.7	76%	0.755	71%	0.708	S	S	*	*				167.5	166.7	53.8	-100.8	0	0	0	0	106.6
1000	S	29.7	Very low	29.7	Very low	87 Å²	87	113 Å²	113	61%	0.608	71%	0.705	S	S	*	*			cis	175.8	170.3	-5.2	50.5	0	0	0	0	108.3
1001	V	29.3	Very low	29.8	Very low	127 Å²	127	116.1 Å²	116.1	77%	0.77	71%	0.712	S	S	*	*			trans	67.6	135.4	139.8	157.2	0	0	0	0	116.9
1002	I	28.3	Very low	29.8	Very low	129 Å²	129	112.8 Å²	112.8	66%	0.662	70%	0.698	S	S	*	*			cis	-150.9	119.8	-3.1	-119.3	178.2	0	0	0	106.2
1003	T	30.2	Very low	29.8	Very low	101 Å²	101	116.5 Å²	116.5	62%	0.62	71%	0.708	S	S	*	*				69	161.7	98.2	67	0	0	0	0	116.5
1004	D	28.4	Very low	29.5	Very low	129 Å²	129	116.3 Å²	116.3	69%	0.69	70%	0.702	S	S	*	*			trans	79.2	132.7	157.9	-52.9	-43.2	0	0	0	118.6
1005	T	29.7	Very low	29.1	Very low	114 Å²	114	117 Å²	117	70%	0.699	71%	0.705	S	S	*	*			cis	-148.1	130.2	-5	3.7	0	0	0	0	113.8
1006	T	29.9	Very low	29.1	Very low	97 Å²	97	114.8 Å²	114.8	60%	0.595	70%	0.701	S	S	*	*			trans	15.5	132.6	134.3	64.1	0	0	0	0	120.6
1007	N	32.2	Very low	29	Very low	143 Å²	143	114.7 Å²	114.7	77%	0.765	70%	0.701	S	S	*	*				174.4	121.4	99.7	-81.9	-41.9	0	0	0	108.4
1008	T	28.6	Very low	29.1	Very low	100 Å²	100	119.8 Å²	119.8	61%	0.613	71%	0.713	S	S	*	*			cis	79.3	96.8	44.1	70.6	0	0	0	0	116.1
1009	T	33.7	Very low	28.8	Very low	141 Å²	141	123.6 Å²	123.6	87%	0.865	72%	0.719	S	S	*	*			trans	-178.1	113.5	139.7	15.2	0	0	0	0	106.4
1010	T	25.8	Very low	28.7	Very low	107 Å²	107	123.1 Å²	123.1	66%	0.656	72%	0.716	S	S	*	*			cis	74.3	93.8	22.6	-42.5	0	0	0	0	114.6	T1012	T1010-T1012 HydrophobicContact CG2-CG2 4.2Å
1011	T	32.1	Very low	28.6	Very low	129 Å²	129	124.1 Å²	124.1	79%	0.791	72%	0.723	S	S	*	*			trans	-167.6	86.4	147.4	-70.5	0	0	0	0	106.2
1012	T	26.3	Very low	28.5	Very low	98 Å²	98	126.9 Å²	126.9	60%	0.601	73%	0.727	S	S	*	*				69.2	123.2	79.8	61.9	0	0	0	0	116.3	T1010	T1010-T1012 HydrophobicContact CG2-CG2 4.2Å
1013	M	26.4	Very low	28.5	Very low	166 Å²	166	124.4 Å²	124.4	82%	0.818	72%	0.722	S	S	*	*			trans	71.7	147.2	157.5	-56.4	-45.4	170.8	0	0	117.1
1014	T	28.1	Very low	28.5	Very low	109 Å²	109	126.2 Å²	126.2	67%	0.669	73%	0.727	S	S	*	*			cis	-159	149.1	-2.5	4.6	0	0	0	0	112.2
1015	T	26.7	Very low	28.8	Very low	122 Å²	122	125.9 Å²	125.9	75%	0.748	73%	0.731	S	S	*	*			trans	58.8	152.2	148.3	53	0	0	0	0	123.4
1016	S	28.9	Very low	28.8	Very low	98 Å²	98	125.4 Å²	125.4	69%	0.685	73%	0.732	S	S	*	*			trans	88.6	90.4	146.3	69.7	0	0	0	0	120.9
1017	T	26.8	Very low	28.9	Very low	127 Å²	127	125.5 Å²	125.5	78%	0.779	74%	0.737	S	S	*	*				64.8	150.2	122.3	48.9	0	0	0	0	123.9
1018	I	30.4	Very low	28.8	Very low	168 Å²	168	124.3 Å²	124.3	86%	0.862	73%	0.734	S	S	*	*			trans	95.2	140.3	163.6	-64.1	149.1	0	0	0	116.1
1019	K	24.9	Very low	28.9	Very low	195 Å²	195	126.8 Å²	126.8	85%	0.848	74%	0.743	S	S	*	*			trans	-92.6	-179.2	-171.7	-66.1	178.6	174.5	178.6	0	111.9
1020	S	25.4	Very low	28.7	Very low	99 Å²	99	125.5 Å²	125.5	69%	0.692	74%	0.735	S	S	*	*			trans	96.9	91.1	153.1	72.2	0	0	0	0	118.7
1021	S	28.4	Very low	29.1	Very low	107 Å²	107	125.7 Å²	125.7	75%	0.748	74%	0.737	S	S	*	*				31.4	112	121.5	58	0	0	0	0	119.6
1022	Q	27.5	Very low	29.1	Very low	185 Å²	185	124.3 Å²	124.3	86%	0.864	73%	0.732	S	S	*	*			trans	-165.9	157.7	151.6	-103	163.2	81.5	0	0	108.3
1023	S	28.8	Very low	29.4	Very low	78 Å²	78	125.5 Å²	125.5	55%	0.545	74%	0.739	S	S	.	*			cis	175.6	159.4	-29.8	53.6	0	0	0	0	110.2
1024	L	30.5	Very low	29.5	Very low	139 Å²	139	126.6 Å²	126.6	73%	0.728	74%	0.739	S	S	*	*			trans	65.3	174.2	151.1	-75.2	161.1	0	0	0	116.4
1025	P	33.4	Very low	29.6	Very low	121 Å²	121	128.7 Å²	128.7	79%	0.786	75%	0.746	S	S	*	*			cis	-75.7	-174.2	-11.6	-12.4	32.5	0	0	0	112.5
1026	C	30.3	Very low	29.7	Very low	104 Å²	104	126.4 Å²	126.4	70%	0.703	75%	0.747	S	S	*	*			cis	-175.9	174.9	-26.4	-107.2	0	0	0	0	106.5
1027	S	32.7	Very low	29.7	Very low	100 Å²	100	128.9 Å²	128.9	70%	0.699	75%	0.751	S	S	*	*			cis	-176.3	158.8	-8.6	44.7	0	0	0	0	107.6
1028	T	28.6	Very low	29.9	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	76%	0.755	S	S	*	*			cis	-176.8	171.8	-14.2	-80.5	0	0	0	0	107
1029	L	30.8	Very low	29.9	Very low	152 Å²	152	124 Å²	124	80%	0.796	75%	0.749	S	S	*	*			trans	90.5	142.9	175.2	-48.8	169.6	0	0	0	113.2
1030	T	30.4	Very low	30.1	Very low	114 Å²	114	122.6 Å²	122.6	70%	0.699	75%	0.749	S	S	*	*			cis	-169.4	160.3	-19.8	27.8	0	0	0	0	106.3
1031	T	33.7	Very low	30.4	Very low	112 Å²	112	124.1 Å²	124.1	69%	0.687	76%	0.755	S	S	*	*			cis	-157.7	134.6	7.9	1.6	0	0	0	0	107.3
1032	S	31.9	Very low	30.4	Very low	99 Å²	99	123 Å²	123	69%	0.692	76%	0.761	S	S	*	*				60.9	136.3	104.9	84.9	0	0	0	0	116.9
1033	V	32.1	Very low	30.6	Very low	123 Å²	123	117.7 Å²	117.7	75%	0.745	76%	0.755	S	S	*	*			cis	-145.4	126	26.7	167.2	0	0	0	0	112.9
1034	F	30	Very low	30.7	Very low	190 Å²	190	121 Å²	121	83%	0.833	77%	0.773	S	S	*	*			trans	46.3	120.1	145.7	-75.6	-100.9	0	0	0	125.8
1035	D	29.3	Very low	30.6	Very low	152 Å²	152	117.7 Å²	117.7	81%	0.813	77%	0.771	S	S	*	*			trans	-25.8	164.4	138.3	-61.6	-79.7	0	0	0	121
1036	G	29.6	Very low	30.3	Very low	75 Å²	75	121.7 Å²	121.7	77%	0.773	78%	0.78	S	S	*	*			trans	-149.7	-1	178.8	0	0	0	0	0	120.3
1037	I	29.1	Very low	30.3	Very low	149 Å²	149	120.4 Å²	120.4	76%	0.764	78%	0.784	S	S	*	*			trans	63.1	107.7	161.3	-56.6	-179.2	0	0	0	120.3
1038	S	30.9	Very low	30	Very low	122 Å²	122	123.7 Å²	123.7	85%	0.853	79%	0.792	S	S	*	*				40.1	141.4	126	-46.2	0	0	0	0	124.5
1039	G	29.3	Very low	30	Very low	71 Å²	71	124.8 Å²	124.8	73%	0.732	80%	0.799	S	S	*	*			trans	-165.1	39.1	176.9	0	0	0	0	0	122.7
1040	L	29.3	Very low	29.7	Very low	165 Å²	165	125.9 Å²	125.9	86%	0.864	80%	0.8	S	S	*	*			trans	66.6	171.5	155.9	-57.4	171.8	0	0	0	119.6
1041	T	31.9	Very low	29.6	Very low	131 Å²	131	127 Å²	127	80%	0.804	80%	0.801	S	S	*	*				-165.4	152.4	-77.6	29.8	0	0	0	0	113.1
1042	G	29.4	Very low	29.2	Very low	85 Å²	85	128.7 Å²	128.7	88%	0.876	80%	0.801	S	S	*	*			trans	87.4	151.1	170.7	0	0	0	0	0	114
1043	G	30.9	Very low	29	Very low	73 Å²	73	130 Å²	130	75%	0.753	80%	0.799	S	S	*	*			cis	146.7	156.2	8.4	0	0	0	0	0	108
1044	T	30.4	Very low	28.8	Very low	148 Å²	148	131.6 Å²	131.6	91%	0.908	80%	0.796	S	S	*	*			cis	-164.3	158.4	1.2	46.5	0	0	0	0	108.6
1045	G	28.4	Very low	29.2	Very low	68 Å²	68	126.6 Å²	126.6	70%	0.701	78%	0.783	S	S	*	*			trans	122.5	119.6	145.9	0	0	0	0	0	119.1
1046	E	27.8	Very low	29.7	Very low	206 Å²	206	122.8 Å²	122.8	96%	0.963	76%	0.763	S	S	*	*			trans	57.8	125.8	142.1	-50.5	-168.2	162.6	0	0	120.9
1047	G	30.3	Very low	30.2	Very low	77 Å²	77	123.3 Å²	123.3	79%	0.794	75%	0.748	S	S	*	*			trans	176.5	60	-177.1	0	0	0	0	0	114.6	T1049	G1047-T1049 PolarHBondContact O-N 2.85Å
1048	I	25.7	Very low	31	Very low	169 Å²	169	123.1 Å²	123.1	87%	0.867	75%	0.748	S	S	*	*			trans	-55.8	120.1	-178.2	-56.6	157.3	0	0	0	112.6
1049	T	29.7	Very low	31.8	Very low	139 Å²	139	123 Å²	123	85%	0.853	73%	0.732	S	S	*	*			trans	-170.9	154.5	136.8	8.6	0	0	0	0	114.5	G1047	G1047-T1049 PolarHBondContact O-N 2.85Å
1050	E	24.5	Very low	32.7	Very low	175 Å²	175	127 Å²	127	82%	0.818	73%	0.725	S	S	*	*			trans	-66.1	145.4	163.8	-60	167.3	99.4	0	0	111.4
1051	L	26.8	Very low	33.6	Very low	138 Å²	138	126.1 Å²	126.1	72%	0.723	71%	0.714	S	S	*	*				160.5	149.2	122.2	-85.2	162.8	0	0	0	112.8
1052	Q	25.8	Very low	34.4	Very low	147 Å²	147	126.2 Å²	126.2	69%	0.687	70%	0.7	S	S	*	*			trans	32.6	148.8	147.3	-103.3	78.1	-35.5	0	0	124.2
1053	L	27.6	Very low	35.6	Very low	126 Å²	126	125 Å²	125	66%	0.66	67%	0.674	S	S	*	*			trans	67.3	103.8	150.8	-62.9	159.5	0	0	0	118.6
1054	F	28.8	Very low	36.7	Very low	157 Å²	157	126.5 Å²	126.5	69%	0.689	66%	0.661	S	S	*	*			trans	-153.8	86.6	146.9	-81.5	-60.5	0	0	0	113.4	N1057	F1054-N1057 HydrophobicContact CD1-CB 3.86Å; F1054-N1057 HydrophobicContact CE1-CB 4.27Å; F1054-N1057 VanDerWaalsContact CE1-CG 3.45Å; F1054-N1057 WeakPolarHBondContact CE1-ND2 3.15Å
1055	P	37.6	Very low	37.3	Very low	85 Å²	85	124.7 Å²	124.7	55%	0.552	64%	0.644	S	S	*	*	S	Bend	trans	-84.6	-24.6	137	-10.5	28.5	0	0	0	110.8	N1057 L1058 K1059	P1055-N1057 PolarHBondContact O-N 3.23Å; P1055-L1058 PolarHBondContact O-N 3.36Å; P1055-L1058 VanDerWaalsContact O-N 3.11Å; P1055-K1059 PolarHBondContact O-N 2.68Å; P1055-K1059 VanDerWaalsContact O-N 3.09Å
1056	D	39.6	Very low	38.1	Very low	73 Å²	73	124.1 Å²	124.1	39%	0.39	63%	0.625	S	S	.	*	H	α-helix	trans	-74.7	-24.6	-158.2	-49.2	-59.2	0	0	0	114	R1060	D1056-R1060 WeakPolarHBondContact O-CB 3.36Å; D1056-R1060 PolarHBondContact O-N 3.46Å
1057	N	40.5	Very low	38.7	Very low	85 Å²	85	122.3 Å²	122.3	46%	0.455	61%	0.609	S	S	.	*	H	α-helix	trans	-74.3	-29.6	172.4	-86.9	-8.4	0	0	0	112.6	F1054 P1055 K1061	F1054-N1057 HydrophobicContact CD1-CB 3.86Å; F1054-N1057 HydrophobicContact CE1-CB 4.27Å; F1054-N1057 VanDerWaalsContact CE1-CG 3.45Å; F1054-N1057 WeakPolarHBondContact CE1-ND2 3.15Å; P1055-N1057 PolarHBondContact O-N 3.23Å; N1057-K1061 VanDerWaalsContact O-CB 3.23Å; N1057-K1061 WeakPolarHBondContact O-CB 3.46Å; N1057-K1061 PolarHBondContact O-N 3.24Å; N1057-K1061 VanDerWaalsContact O-N 3.08Å
1058	L	45.4	Very low	38.8	Very low	145 Å²	145	126.8 Å²	126.8	76%	0.759	60%	0.603	S	S	*	*	H	α-helix	trans	-74	-41.7	171.6	-104.5	166.4	0	0	0	110.3	P1055 K1061 Y1062	P1055-L1058 PolarHBondContact O-N 3.36Å; P1055-L1058 VanDerWaalsContact O-N 3.11Å; L1058-K1061 PolarHBondContact O-N 2.79Å; L1058-Y1062 VanDerWaalsContact O-CB 3.31Å; L1058-Y1062 WeakPolarHBondContact O-CB 3.45Å; L1058-Y1062 PolarHBondContact O-N 3.41Å
1059	K	48	Very low	39.5	Very low	121 Å²	121	122 Å²	122	53%	0.526	59%	0.585	S	S	.	*	H	α-helix	trans	-63.6	-46.7	173.8	-162.9	-171.1	-178.9	-56.2	0	111.7	P1055 K1061 Y1062 D1063	P1055-K1059 PolarHBondContact O-N 2.68Å; P1055-K1059 VanDerWaalsContact O-N 3.09Å; K1059-K1061 VanDerWaalsContact C-N 3.33Å; K1059-K1061 PolarHBondContact O-N 3.35Å; K1059-Y1062 CarbonylContact O-C 3.56Å; K1059-Y1062 PolarHBondContact O-N 3.09Å; K1059-Y1062 VanDerWaalsContact O-N 3.15Å; K1059-D1063 IonicContact NZ-OD1 2.99Å; K1059-D1063 PolarHBondContact NZ-OD1 3.37Å; K1059-D1063 IonicContact NZ-OD2 2.71Å; K1059-D1063 PolarHBondContact NZ-OD2 2.72Å; K1059-D1063 WeakPolarHBondContact O-CB 3.46Å; K1059-D1063 PolarHBondContact O-N 3.33Å
1060	R	47.5	Very low	40	Very low	153 Å²	153	124.9 Å²	124.9	58%	0.577	58%	0.58	S	S	*	*	H	α-helix	trans	-61.7	-39.7	178.8	-166.5	178.1	-59.9	171.3	1.9	111.9	D1056 D1063 E1064	D1056-R1060 WeakPolarHBondContact O-CB 3.36Å; D1056-R1060 PolarHBondContact O-N 3.46Å; R1060-D1063 PolarHBondContact O-N 3.01Å; R1060-E1064 WeakPolarHBondContact O-CB 3.21Å; R1060-E1064 VanDerWaalsContact O-CG 3.29Å; R1060-E1064 WeakPolarHBondContact O-CG 3.23Å; R1060-E1064 PolarHBondContact O-N 2.78Å
1061	K	49.5	Very low	40.5	Very low	148 Å²	148	122.7 Å²	122.7	64%	0.643	57%	0.57	S	S	*	*	H	α-helix	trans	-72.1	-29	175.9	-161.1	169.7	-171.3	177.3	0	113.4	N1057 L1058 K1059 M1065	N1057-K1061 VanDerWaalsContact O-CB 3.23Å; N1057-K1061 WeakPolarHBondContact O-CB 3.46Å; N1057-K1061 PolarHBondContact O-N 3.24Å; N1057-K1061 VanDerWaalsContact O-N 3.08Å; L1058-K1061 PolarHBondContact O-N 2.79Å; K1059-K1061 VanDerWaalsContact C-N 3.33Å; K1059-K1061 PolarHBondContact O-N 3.35Å; K1061-M1065 VanDerWaalsContact O-CB 3.24Å; K1061-M1065 WeakPolarHBondContact O-CB 3.27Å; K1061-M1065 PolarHBondContact O-N 3.25Å
1062	Y	48.1	Very low	40.9	Very low	132 Å²	132	122.7 Å²	122.7	52%	0.518	57%	0.571	S	S	.	*	H	α-helix	trans	-73.3	-39	170.1	-171.8	-105.5	0	0	0	111.7	L1058 K1059 M1065 N1066	L1058-Y1062 VanDerWaalsContact O-CB 3.31Å; L1058-Y1062 WeakPolarHBondContact O-CB 3.45Å; L1058-Y1062 PolarHBondContact O-N 3.41Å; K1059-Y1062 CarbonylContact O-C 3.56Å; K1059-Y1062 PolarHBondContact O-N 3.09Å; K1059-Y1062 VanDerWaalsContact O-N 3.15Å; Y1062-M1065 HydrophobicContact CD2-CE 3.92Å; Y1062-M1065 PolarHBondContact O-N 3.12Å; Y1062-N1066 VanDerWaalsContact CD1-ND2 3.33Å; Y1062-N1066 WeakPolarHBondContact CD1-ND2 3.22Å; Y1062-N1066 WeakPolarHBondContact CE1-ND2 3.25Å; Y1062-N1066 VanDerWaalsContact O-CB 3.27Å; Y1062-N1066 WeakPolarHBondContact O-CB 3.39Å; Y1062-N1066 VanDerWaalsContact O-CG 3.24Å; Y1062-N1066 PolarHBondContact O-N 3.41Å; Y1062-N1066 PolarHBondContact O-ND2 3.08Å
1063	D	54.8	Low	41.2	Very low	60 Å²	60	120.8 Å²	120.8	32%	0.321	57%	0.572	S	S	.	*	H	α-helix	trans	-69.1	-33.4	174.4	-64.1	-22.1	0	0	0	111.5	K1059 R1060 R1067	K1059-D1063 IonicContact NZ-OD1 2.99Å; K1059-D1063 PolarHBondContact NZ-OD1 3.37Å; K1059-D1063 IonicContact NZ-OD2 2.71Å; K1059-D1063 PolarHBondContact NZ-OD2 2.72Å; K1059-D1063 WeakPolarHBondContact O-CB 3.46Å; K1059-D1063 PolarHBondContact O-N 3.33Å; R1060-D1063 PolarHBondContact O-N 3.01Å; D1063-R1067 VanDerWaalsContact O-CG 3.31Å; D1063-R1067 WeakPolarHBondContact O-CG 3.32Å; D1063-R1067 PolarHBondContact O-N 3.49Å
1064	E	53.6	Low	41.3	Very low	104 Å²	104	121.4 Å²	121.4	49%	0.486	58%	0.577	S	S	.	*	H	α-helix	trans	-68.2	-47.5	169.8	-78	171.4	154.2	0	0	111.4	R1060 N1066 R1067 Y1068	R1060-E1064 WeakPolarHBondContact O-CB 3.21Å; R1060-E1064 VanDerWaalsContact O-CG 3.29Å; R1060-E1064 WeakPolarHBondContact O-CG 3.23Å; R1060-E1064 PolarHBondContact O-N 2.78Å; E1064-N1066 VanDerWaalsContact C-N 3.26Å; E1064-N1066 PolarHBondContact O-N 3.43Å; E1064-R1067 WeakPolarHBondContact O-CB 3.48Å; E1064-R1067 PolarHBondContact O-N 3.46Å; E1064-Y1068 PolarHBondContact O-N 3.17Å
1065	M	42.9	Very low	41.4	Very low	111 Å²	111	119 Å²	119	55%	0.547	58%	0.579	S	S	.	*	H	α-helix	trans	-61.3	-36.1	176.3	-172.1	162.5	57.9	0	0	111.7	K1061 Y1062 S1069	K1061-M1065 VanDerWaalsContact O-CB 3.24Å; K1061-M1065 WeakPolarHBondContact O-CB 3.27Å; K1061-M1065 PolarHBondContact O-N 3.25Å; Y1062-M1065 HydrophobicContact CD2-CE 3.92Å; Y1062-M1065 PolarHBondContact O-N 3.12Å; M1065-S1069 WeakPolarHBondContact O-CB 3.36Å; M1065-S1069 PolarHBondContact O-N 3.36Å; M1065-S1069 PolarHBondContact O-OG 2.89Å; M1065-S1069 VanDerWaalsContact O-OG 3.09Å
1066	N	44.8	Very low	41.1	Very low	56 Å²	56	122.9 Å²	122.9	30%	0.299	59%	0.594	S	S	.	*	H	α-helix	trans	-78.7	-12.9	173.4	-72.1	-23.5	0	0	0	114.6	Y1062 E1064 R1070	Y1062-N1066 VanDerWaalsContact CD1-ND2 3.33Å; Y1062-N1066 WeakPolarHBondContact CD1-ND2 3.22Å; Y1062-N1066 WeakPolarHBondContact CE1-ND2 3.25Å; Y1062-N1066 VanDerWaalsContact O-CB 3.27Å; Y1062-N1066 WeakPolarHBondContact O-CB 3.39Å; Y1062-N1066 VanDerWaalsContact O-CG 3.24Å; Y1062-N1066 PolarHBondContact O-N 3.41Å; Y1062-N1066 PolarHBondContact O-ND2 3.08Å; E1064-N1066 VanDerWaalsContact C-N 3.26Å; E1064-N1066 PolarHBondContact O-N 3.43Å; N1066-R1070 WeakPolarHBondContact O-CB 3.2Å; N1066-R1070 VanDerWaalsContact O-CG 3.32Å; N1066-R1070 WeakPolarHBondContact O-CG 3.21Å; N1066-R1070 PolarHBondContact O-N 2.71Å
1067	R	40.4	Very low	40.6	Very low	167 Å²	167	128.2 Å²	128.2	63%	0.63	62%	0.617	S	S	*	*	H	α-helix	trans	-75	-53.1	164.8	-77.9	170.6	-165.9	-134.9	2.2	109.6	D1063 E1064 S1069 R1070 E1071	D1063-R1067 VanDerWaalsContact O-CG 3.31Å; D1063-R1067 WeakPolarHBondContact O-CG 3.32Å; D1063-R1067 PolarHBondContact O-N 3.49Å; E1064-R1067 WeakPolarHBondContact O-CB 3.48Å; E1064-R1067 PolarHBondContact O-N 3.46Å; R1067-S1069 VanDerWaalsContact C-N 3.32Å; R1067-S1069 PolarHBondContact O-N 2.92Å; R1067-R1070 CarbonylContact O-C 3.6Å; R1067-R1070 WeakPolarHBondContact O-CA 3.36Å; R1067-R1070 PolarHBondContact O-N 3.27Å; R1067-E1071 WeakPolarHBondContact O-CB 3.29Å; R1067-E1071 WeakPolarHBondContact O-CG 3.46Å; R1067-E1071 PolarHBondContact O-N 2.94Å
1068	Y	33.7	Very low	40.1	Very low	172 Å²	172	131.8 Å²	131.8	68%	0.675	64%	0.636	S	S	*	*	H	α-helix	trans	-53.8	-45.9	174.1	-84.3	-83.4	0	0	0	112.2	E1064 R1070 E1071 D1072	E1064-Y1068 PolarHBondContact O-N 3.17Å; Y1068-R1070 VanDerWaalsContact C-N 3.27Å; Y1068-R1070 PolarHBondContact O-N 3.47Å; Y1068-E1071 PolarHBondContact O-N 3.07Å; Y1068-D1072 PolarHBondContact O-N 3.35Å
1069	S	39.5	Very low	39.4	Very low	69 Å²	69	132.8 Å²	132.8	48%	0.483	64%	0.636	S	S	.	*	H	α-helix	trans	-69.3	-16.2	176.3	-60.2	0	0	0	0	115.3	M1065 R1067 C1073	M1065-S1069 WeakPolarHBondContact O-CB 3.36Å; M1065-S1069 PolarHBondContact O-N 3.36Å; M1065-S1069 PolarHBondContact O-OG 2.89Å; M1065-S1069 VanDerWaalsContact O-OG 3.09Å; R1067-S1069 VanDerWaalsContact C-N 3.32Å; R1067-S1069 PolarHBondContact O-N 2.92Å; S1069-C1073 PolarHBondContact O-SG 3.09Å
1070	R	40.6	Very low	38.6	Very low	199 Å²	199	136.3 Å²	136.3	75%	0.751	65%	0.652	S	S	*	*	H	α-helix	trans	-93.8	-17	172.7	-82.2	-179.3	167	169.8	-3.4	113.5	N1066 R1067 Y1068 N1074	N1066-R1070 WeakPolarHBondContact O-CB 3.2Å; N1066-R1070 VanDerWaalsContact O-CG 3.32Å; N1066-R1070 WeakPolarHBondContact O-CG 3.21Å; N1066-R1070 PolarHBondContact O-N 2.71Å; R1067-R1070 CarbonylContact O-C 3.6Å; R1067-R1070 WeakPolarHBondContact O-CA 3.36Å; R1067-R1070 PolarHBondContact O-N 3.27Å; Y1068-R1070 VanDerWaalsContact C-N 3.27Å; Y1068-R1070 PolarHBondContact O-N 3.47Å; R1070-N1074 PolarHBondContact O-ND2 3.08Å
1071	E	36.1	Very low	37.8	Very low	129 Å²	129	135.6 Å²	135.6	60%	0.603	66%	0.659	S	S	*	*	H	α-helix	trans	-87	-32.5	-178.3	-74.4	160.5	-164.5	0	0	111.7	R1067 Y1068	R1067-E1071 WeakPolarHBondContact O-CB 3.29Å; R1067-E1071 WeakPolarHBondContact O-CG 3.46Å; R1067-E1071 PolarHBondContact O-N 2.94Å; Y1068-E1071 PolarHBondContact O-N 3.07Å
1072	D	35.1	Very low	36.9	Very low	137 Å²	137	135.4 Å²	135.4	73%	0.733	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-83.2	-19.9	177.1	-82.2	-33.4	0	0	0	115.5	Y1068 N1074	Y1068-D1072 PolarHBondContact O-N 3.35Å; D1072-N1074 VanDerWaalsContact C-N 3.29Å; D1072-N1074 PolarHBondContact O-N 3.19Å
1073	C	31.7	Very low	35.9	Very low	107 Å²	107	136 Å²	136	72%	0.723	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-77.9	-5.3	-174.7	-71.3	0	0	0	0	115.2	S1069 S1075	S1069-C1073 PolarHBondContact O-SG 3.09Å; C1073-S1075 PolarHBondContact O-N 3.3Å
1074	N	30.3	Very low	34.7	Very low	140 Å²	140	138 Å²	138	75%	0.749	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-91.9	27.2	-175.3	-79.1	-53	0	0	0	114.3	R1070 D1072	R1070-N1074 PolarHBondContact O-ND2 3.08Å; D1072-N1074 VanDerWaalsContact C-N 3.29Å; D1072-N1074 PolarHBondContact O-N 3.19Å
1075	S	30.5	Very low	33.4	Very low	107 Å²	107	137 Å²	137	75%	0.748	70%	0.7	S	S	*	*	S	Bend	trans	-152.6	50	-177.5	-79.3	0	0	0	0	115.5	C1073	C1073-S1075 PolarHBondContact O-N 3.3Å
1076	L	30.9	Very low	32.8	Very low	166 Å²	166	142.2 Å²	142.2	87%	0.869	71%	0.714	S	S	*	*			trans	-153.6	31.7	169.9	-119.2	162.3	0	0	0	117.2
1077	Q	29.1	Very low	32	Very low	184 Å²	184	146.4 Å²	146.4	86%	0.86	74%	0.735	S	S	*	*			trans	-133.9	83.2	177.3	-155.4	78.1	27.4	0	0	113.2
1078	N	29.5	Very low	31.3	Very low	161 Å²	161	144 Å²	144	86%	0.861	74%	0.742	S	S	*	*			trans	-163.7	141.5	158.8	-109.3	-39.1	0	0	0	111
1079	H	31.6	Very low	31	Very low	165 Å²	165	141.6 Å²	141.6	76%	0.764	75%	0.75	S	S	*	*			trans	71.2	126.5	-166.1	-66	-52.3	0	0	0	115.4
1080	K	30.6	Very low	30.2	Very low	196 Å²	196	143.7 Å²	143.7	85%	0.852	76%	0.764	S	S	*	*			cis	-141.4	145.7	19.9	-105	142.1	-176.4	176.1	0	113.5
1081	D	30.6	Very low	29.7	Very low	137 Å²	137	139.9 Å²	139.9	73%	0.733	77%	0.765	S	S	*	*			trans	-78.6	176.5	175	-53.2	-89.1	0	0	0	114.8
1082	L	30.6	Very low	29.1	Very low	145 Å²	145	139.6 Å²	139.6	76%	0.759	77%	0.773	S	S	*	*			trans	72.9	94.2	152.8	-71.3	156.5	0	0	0	118.2
1083	N	27.2	Very low	28.8	Very low	143 Å²	143	142.3 Å²	142.3	77%	0.765	78%	0.778	S	S	*	*				37.5	124.7	109.3	-58.4	-18.7	0	0	0	117.5
1084	S	28.9	Very low	28.5	Very low	103 Å²	103	146 Å²	146	72%	0.72	78%	0.782	S	S	*	*				172	143	72	-163.7	0	0	0	0	112.9
1085	S	27.7	Very low	28.3	Very low	82 Å²	82	146.5 Å²	146.5	57%	0.573	78%	0.779	S	S	*	*			trans	41.8	129.9	148	73.2	0	0	0	0	120.7
1086	R	29	Very low	27.9	Very low	222 Å²	222	151 Å²	151	84%	0.838	78%	0.781	S	S	*	*				169	140.7	104.4	-89.5	168.9	-169.4	-157.4	-0.1	114
1087	L	27.9	Very low	27.9	Very low	144 Å²	144	150.4 Å²	150.4	75%	0.754	78%	0.777	S	S	*	*			trans	41.6	121.1	141.3	-79.1	82.1	0	0	0	121.2
1088	C	26.2	Very low	27.8	Very low	115 Å²	115	149 Å²	149	78%	0.777	77%	0.771	S	S	*	*				80.4	159.2	123.1	-64.1	0	0	0	0	121.9
1089	C	26.8	Very low	27.8	Very low	123 Å²	123	149.8 Å²	149.8	83%	0.831	77%	0.767	S	S	*	*			trans	-37.9	160.5	176	-51.4	0	0	0	0	117.9
1090	S	23.4	Very low	27.6	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	76%	0.763	S	S	*	*			trans	-55	160.4	172.1	67.7	0	0	0	0	113.6
1091	P	30.3	Very low	27.6	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	76%	0.76	S	S	*	*				-148.6	-179.5	86.5	41	-24.4	0	0	0	116
1092	T	23.2	Very low	27.6	Very low	123 Å²	123	142.9 Å²	142.9	76%	0.755	75%	0.754	S	S	*	*			trans	-69.3	135	171.2	43.7	0	0	0	0	114
1093	K	28	Very low	27.8	Very low	194 Å²	194	141.6 Å²	141.6	84%	0.843	75%	0.752	S	S	*	*			trans	173.7	127.5	133.6	-90.7	147.9	-168	171.8	0	109.2
1094	K	25.2	Very low	28	Very low	185 Å²	185	140.8 Å²	140.8	80%	0.804	75%	0.748	S	S	*	*				79.5	119.6	69	-146.5	-170.1	-168.7	-178.8	0	112.9
1095	Q	26.1	Very low	28.2	Very low	149 Å²	149	143.1 Å²	143.1	70%	0.696	75%	0.753	S	S	*	*			trans	106.9	115.8	154.2	-58.8	-168.1	-104.1	0	0	121.9
1096	Y	24.1	Very low	28.4	Very low	201 Å²	201	143 Å²	143	79%	0.788	76%	0.764	S	S	*	*				91.6	161.5	126	-88.3	-125.1	0	0	0	121.9
1097	I	29.6	Very low	28.3	Very low	154 Å²	154	137.8 Å²	137.8	79%	0.79	76%	0.762	S	S	*	*			trans	71.8	93.8	178.7	-45.3	-175.5	0	0	0	113.6
1098	Q	26.7	Very low	28.4	Very low	155 Å²	155	138 Å²	138	72%	0.724	76%	0.763	S	S	*	*			cis	102.3	136.8	23.8	-165.4	-162.8	17.7	0	0	113.4
1099	K	29.3	Very low	28.3	Very low	177 Å²	177	138 Å²	138	77%	0.77	76%	0.762	S	S	*	*			trans	104.8	136.2	162.6	-65.8	-165.4	176.8	178.1	0	116.8
1100	T	28.1	Very low	28.3	Very low	113 Å²	113	140.8 Å²	140.8	69%	0.693	76%	0.761	S	S	*	*			cis	-160.8	172.3	-22.3	-52.4	0	0	0	0	107.9
1101	I	30.4	Very low	28.5	Very low	153 Å²	153	142.2 Å²	142.2	79%	0.785	76%	0.759	S	S	*	*			trans	89.5	118.5	160.6	-54.3	173.9	0	0	0	114.4
1102	S	31.6	Very low	28.2	Very low	88 Å²	88	143.8 Å²	143.8	62%	0.615	76%	0.756	S	S	*	*			cis	-166.3	147	-12	48.2	0	0	0	0	112.7
1103	T	33.7	Very low	28.3	Very low	117 Å²	117	144.4 Å²	144.4	72%	0.718	76%	0.755	S	S	*	*			trans	59	139.6	153.9	55.8	0	0	0	0	119.4
1104	N	32.2	Very low	28.4	Very low	127 Å²	127	141.9 Å²	141.9	68%	0.679	75%	0.751	S	S	*	*			cis	-159.7	145.3	-7.6	-112.3	-8.3	0	0	0	110.7
1105	N	32.7	Very low	28.5	Very low	152 Å²	152	141.5 Å²	141.5	81%	0.813	75%	0.745	S	S	*	*			trans	37.4	133.4	143.4	-49.1	-19	0	0	0	120.7
1106	G	31.5	Very low	28.5	Very low	79 Å²	79	140.6 Å²	140.6	81%	0.814	75%	0.745	S	S	*	*			cis	178.3	158.2	0.7	0	0	0	0	0	113.2
1107	S	27.7	Very low	28.8	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	74%	0.738	S	S	*	*			trans	-91.7	140.3	-177.3	53.7	0	0	0	0	112.9
1108	I	29.4	Very low	28.8	Very low	149 Å²	149	135.1 Å²	135.1	76%	0.764	73%	0.732	S	S	*	*			trans	-133.4	127.6	160.3	-61.8	-177.5	0	0	0	108.9	F1110	I1108-F1110 HydrophobicContact CG2-CD2 3.68Å; I1108-F1110 HydrophobicContact CG2-CE2 4.26Å
1109	C	23.4	Very low	28.8	Very low	114 Å²	114	132.6 Å²	132.6	77%	0.77	73%	0.727	S	S	*	*			trans	-105.1	121.8	171.3	-54.5	0	0	0	0	108.7
1110	F	26.8	Very low	28.8	Very low	182 Å²	182	133.1 Å²	133.1	80%	0.798	73%	0.729	S	S	*	*			trans	-170.2	152.8	170.8	-83.5	-50.4	0	0	0	108	I1108	I1108-F1110 HydrophobicContact CG2-CD2 3.68Å; I1108-F1110 HydrophobicContact CG2-CE2 4.26Å
1111	N	28.4	Very low	28.9	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	73%	0.731	S	S	*	*			cis	-155.4	177.5	-23.5	-157.7	22.7	0	0	0	107.7
1112	E	23.5	Very low	29.1	Very low	154 Å²	154	129.8 Å²	129.8	72%	0.72	72%	0.724	S	S	*	*	S	Bend	trans	-73.1	162	156.3	-68	-175.6	124.4	0	0	111.6
1113	N	26.3	Very low	29	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	73%	0.731	S	S	*	*			trans	83.8	162.7	164.7	-52.6	-58.6	0	0	0	119.2
1114	D	30.4	Very low	28.9	Very low	142 Å²	142	135.5 Å²	135.5	76%	0.759	74%	0.737	S	S	*	*			trans	64	101.5	171.7	-56.1	-29.4	0	0	0	117.8
1115	Y	27.5	Very low	28.7	Very low	176 Å²	176	134.8 Å²	134.8	69%	0.69	74%	0.738	S	S	*	*				78.4	99.7	74.6	-92.3	-70.8	0	0	0	114.5
1116	N	26.3	Very low	28.6	Very low	130 Å²	130	135.4 Å²	135.4	70%	0.695	74%	0.74	S	S	*	*			trans	73.6	163.3	131.7	-113	-9.1	0	0	0	120.9
1117	N	30	Very low	28.5	Very low	117 Å²	117	137.9 Å²	137.9	63%	0.626	73%	0.733	S	S	*	*			trans	70.7	94.9	150.8	-66.7	-20.7	0	0	0	120.3
1118	N	28.3	Very low	28.6	Very low	124 Å²	124	138.8 Å²	138.8	66%	0.663	73%	0.729	S	S	*	*				94	109.3	105.6	-71.3	-21.8	0	0	0	122.1
1119	T	27.8	Very low	28.7	Very low	101 Å²	101	138.7 Å²	138.7	62%	0.62	73%	0.73	S	S	*	*				90.2	144.7	118.3	64.6	0	0	0	0	121.4
1120	K	30	Very low	28.8	Very low	189 Å²	189	140.6 Å²	140.6	82%	0.822	73%	0.728	S	S	*	*			trans	70.8	146.1	161	-63.4	142.8	-175.8	172.2	0	115.2
1121	S	29.4	Very low	28.7	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	72%	0.724	S	S	*	*			cis	-166.3	171.3	-18	54	0	0	0	0	106.6
1122	S	33.5	Very low	28.7	Very low	90 Å²	90	140.5 Å²	140.5	63%	0.629	72%	0.723	S	S	*	*			cis	-166.7	141.8	22.9	29.4	0	0	0	0	111.8
1123	N	29.5	Very low	28.7	Very low	144 Å²	144	139.1 Å²	139.1	77%	0.77	73%	0.729	S	S	*	*			trans	46.5	117.1	132.5	-45.9	-11.7	0	0	0	121.4
1124	Q	32.9	Very low	28.7	Very low	181 Å²	181	138.8 Å²	138.8	85%	0.846	73%	0.727	S	S	*	*				176.3	102.1	100.3	-91.4	178.4	-8.2	0	0	109.1
1125	T	27.7	Very low	28.4	Very low	112 Å²	112	140 Å²	140	69%	0.687	73%	0.728	S	S	*	*				64	99.1	81	60.9	0	0	0	0	116.8
1126	L	30.7	Very low	28.2	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	73%	0.725	S	S	*	*			trans	175.3	140.4	133.9	-94.4	139.5	0	0	0	108.1
1127	I	29.9	Very low	28.3	Very low	132 Å²	132	139.2 Å²	139.2	68%	0.677	73%	0.726	S	S	*	*			cis	-168.1	140.8	-37.6	-120.4	162.6	0	0	0	105.6
1128	N	29.5	Very low	28	Very low	131 Å²	131	140 Å²	140	70%	0.701	74%	0.74	S	S	*	*			trans	60.2	156.5	169	-73.6	39.8	0	0	0	117.9
1129	D	30.7	Very low	28	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	74%	0.739	S	S	*	*			cis	-131.6	171.3	-3.1	-113.8	-43.3	0	0	0	112.2
1130	Q	26.1	Very low	28.2	Very low	154 Å²	154	142.4 Å²	142.4	72%	0.72	74%	0.737	S	S	*	*			trans	-109.4	160.4	-161.7	-141.9	178.3	12	0	0	113.8
1131	F	24.9	Very low	28.3	Very low	165 Å²	165	139.8 Å²	139.8	72%	0.724	73%	0.728	S	S	*	*			trans	51.8	111.6	164.6	-67.6	-71.3	0	0	0	119.6
1132	H	27.1	Very low	28.4	Very low	156 Å²	156	141.7 Å²	141.7	72%	0.722	72%	0.723	S	S	*	*				-155.1	121.2	112.7	-122.7	-55.7	0	0	0	112	N1134	H1132-N1134 HydrophobicContact CB-CB 4.44Å; H1132-N1134 PolarHBondContact CE1-ND2 3.22Å; H1132-N1134 PolarHBondContact ND1-ND2 2.87Å
1133	C	23.5	Very low	28.4	Very low	125 Å²	125	143.3 Å²	143.3	85%	0.845	73%	0.725	S	S	*	*			trans	-72.5	118.4	142.3	-68.3	0	0	0	0	105.9
1134	N	27.9	Very low	28.5	Very low	129 Å²	129	144.1 Å²	144.1	69%	0.69	72%	0.724	S	S	*	*			trans	-153	141.8	165.3	-116	-21.6	0	0	0	111.5	H1132	H1132-N1134 HydrophobicContact CB-CB 4.44Å; H1132-N1134 PolarHBondContact CE1-ND2 3.22Å; H1132-N1134 PolarHBondContact ND1-ND2 2.87Å
1135	E	23.3	Very low	28.4	Very low	168 Å²	168	139.9 Å²	139.9	79%	0.785	71%	0.714	S	S	*	*			trans	-80.9	-173	-176	-166.5	178.5	-129.9	0	0	111.1
1136	I	24.3	Very low	28.6	Very low	119 Å²	119	142.3 Å²	142.3	61%	0.61	72%	0.722	S	S	*	*			trans	77.4	100	159.7	-49.8	151.4	0	0	0	117.3
1137	K	27.8	Very low	28.4	Very low	169 Å²	169	140.8 Å²	140.8	74%	0.735	72%	0.724	S	S	*	*				-178.7	102.1	110.7	-104.3	130.9	-156.1	149.3	0	113.7	K1139	K1137-K1139 HydrophobicContact CG-CD 4.47Å
1138	C	23.1	Very low	28.4	Very low	135 Å²	135	139.1 Å²	139.1	91%	0.912	72%	0.723	S	S	*	*			trans	-92.2	145.3	142.3	-65	0	0	0	0	107.7
1139	K	29.3	Very low	28.6	Very low	149 Å²	149	140.2 Å²	140.2	65%	0.648	73%	0.729	S	S	*	*			trans	-157.2	120.4	-179.8	-115.7	-174.2	174.3	-88.1	0	113.9	K1137	K1137-K1139 HydrophobicContact CG-CD 4.47Å
1140	H	31.7	Very low	28.5	Very low	125 Å²	125	139.4 Å²	139.4	58%	0.579	73%	0.733	S	S	*	*			trans	64.2	138.3	163.1	-51.9	-73.6	0	0	0	116.7
1141	E	31.1	Very low	29.1	Very low	134 Å²	134	137.6 Å²	137.6	63%	0.626	73%	0.734	S	S	*	*			cis	-168.1	-178.3	-12.8	-122.6	149.8	-156.3	0	0	108.1
1142	F	32.1	Very low	29.5	Very low	146 Å²	146	137 Å²	137	64%	0.64	74%	0.739	S	S	*	*			cis	-156.4	157.6	10.2	-132.5	-53.7	0	0	0	109.8
1143	N	33.9	Very low	29.8	Very low	124 Å²	124	135.2 Å²	135.2	66%	0.663	74%	0.744	S	S	*	*			trans	68.7	138.9	155	-67.5	-37.9	0	0	0	120
1144	H	31.7	Very low	30.1	Very low	162 Å²	162	136 Å²	136	75%	0.75	74%	0.739	S	S	*	*			cis	-163.6	169.4	-24.4	-148.4	-104.6	0	0	0	111.5
1145	S	31.1	Very low	30.4	Very low	92 Å²	92	136 Å²	136	64%	0.643	75%	0.746	S	S	*	*			trans	82.4	105.8	157.2	66.2	0	0	0	0	122.5
1146	L	31.8	Very low	30.6	Very low	162 Å²	162	134.4 Å²	134.4	85%	0.848	74%	0.741	S	S	*	*				77.3	98	128.3	-65.2	169.3	0	0	0	121.8
1147	C	25.9	Very low	30.9	Very low	132 Å²	132	136.9 Å²	136.9	89%	0.892	76%	0.755	S	S	*	*			trans	-142.5	136.2	143.3	-173.4	0	0	0	0	108.5
1148	C	30.8	Very low	30.9	Very low	97 Å²	97	132.7 Å²	132.7	66%	0.655	75%	0.747	S	S	*	*			trans	-145.9	150.9	-171.5	-73.6	0	0	0	0	114.7
1149	N	33.9	Very low	31.3	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	74%	0.738	S	S	*	*			trans	79.3	100.7	156.8	-58.2	-12.9	0	0	0	120.1
1150	C	28.5	Very low	31.6	Very low	130 Å²	130	133.1 Å²	133.1	88%	0.878	74%	0.742	S	S	*	*			trans	-114.2	134.9	140	-70.5	0	0	0	0	108.2
1151	P	37.7	Very low	31.5	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	75%	0.75	S	S	*	*			trans	-103.2	125.8	-177.6	35.2	-30.2	0	0	0	114.7
1152	N	33.6	Very low	31.6	Very low	152 Å²	152	135 Å²	135	81%	0.813	76%	0.761	S	S	*	*			trans	31.7	134.1	138	-51.1	-20.3	0	0	0	119.4
1153	S	34	Very low	31.4	Very low	119 Å²	119	133.7 Å²	133.7	83%	0.832	76%	0.764	S	S	*	*				-173.3	163.3	62.2	34.7	0	0	0	0	114.2
1154	L	29.4	Very low	31.3	Very low	143 Å²	143	135 Å²	135	75%	0.749	77%	0.77	S	S	*	*			trans	-97.2	165	179.1	-91.2	125.6	0	0	0	112	I1156	L1154-I1156 HydrophobicContact CD2-CD1 4.26Å; L1154-I1156 HydrophobicContact CD2-CG1 3.81Å
1155	P	34	Very low	31.1	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	77%	0.773	S	S	*	*				-139.2	162.4	94.3	36.8	-22.7	0	0	0	115.8
1156	I	27.1	Very low	31.2	Very low	133 Å²	133	134.3 Å²	134.3	68%	0.682	78%	0.778	S	S	*	*			trans	-92.7	149.4	179.1	-67	148.1	0	0	0	110.5	L1154	L1154-I1156 HydrophobicContact CD2-CD1 4.26Å; L1154-I1156 HydrophobicContact CD2-CG1 3.81Å
1157	L	30.8	Very low	31.1	Very low	171 Å²	171	131.5 Å²	131.5	90%	0.895	77%	0.772	S	S	*	*			trans	-146.6	160.8	144.7	-109.1	158	0	0	0	109.4
1158	S	28.6	Very low	31.2	Very low	82 Å²	82	132.3 Å²	132.3	57%	0.573	77%	0.766	S	S	*	*			trans	-145.8	173	-146.2	50.7	0	0	0	0	114
1159	H	31.4	Very low	31.3	Very low	156 Å²	156	134.4 Å²	134.4	72%	0.722	78%	0.776	S	S	*	*			trans	70.4	149.1	174.9	-73.2	-90.1	0	0	0	115.6
1160	D	34.1	Very low	31.2	Very low	136 Å²	136	134.2 Å²	134.2	73%	0.727	77%	0.77	S	S	*	*			cis	-134.2	171	6.7	-111.9	-42.2	0	0	0	113.5
1161	N	29.6	Very low	31.3	Very low	140 Å²	140	133.5 Å²	133.5	75%	0.749	77%	0.766	S	S	*	*			trans	-85.7	151.5	170.1	-57.6	-87.1	0	0	0	110.6
1162	D	33.5	Very low	31	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	77%	0.773	S	S	*	*			trans	-150.8	151	142.5	-134.4	-27	0	0	0	112.3
1163	V	28.6	Very low	30.8	Very low	119 Å²	119	132.3 Å²	132.3	72%	0.721	77%	0.767	S	S	*	*			trans	-124.5	114.7	-171.6	176	0	0	0	0	110.4
1164	I	31.8	Very low	30.6	Very low	153 Å²	153	135.1 Å²	135.1	79%	0.785	77%	0.772	S	S	*	*			trans	-129	118	169	-59.8	-176.9	0	0	0	110.5
1165	T	27.3	Very low	30.5	Very low	133 Å²	133	133.2 Å²	133.2	82%	0.816	77%	0.766	S	S	*	*			trans	-94.1	121.5	170.9	42.7	0	0	0	0	110.5
1166	S	32.8	Very low	30.2	Very low	106 Å²	106	136 Å²	136	74%	0.741	77%	0.765	S	S	*	*			trans	-149.9	97.8	167.3	54.7	0	0	0	0	112.7
1167	S	29.5	Very low	30.3	Very low	103 Å²	103	136.8 Å²	136.8	72%	0.72	77%	0.768	S	S	*	*			trans	-42.5	155.8	167	54.4	0	0	0	0	118.3
1168	I	28.5	Very low	30.2	Very low	148 Å²	148	136.5 Å²	136.5	76%	0.759	77%	0.767	S	S	*	*			trans	79.5	109.3	153.1	-60.9	147.9	0	0	0	117.9
1169	T	32.4	Very low	30.2	Very low	142 Å²	142	137.8 Å²	137.8	87%	0.871	78%	0.776	S	S	*	*				-155.1	152.9	112.5	4.3	0	0	0	0	110
1170	Q	31.6	Very low	30	Very low	151 Å²	151	135.6 Å²	135.6	71%	0.706	78%	0.779	S	S	*	*			trans	-114.4	176.2	-173.3	-74.3	-176.1	-53.7	0	0	112.5
1171	S	31.2	Very low	29.7	Very low	115 Å²	115	138.8 Å²	138.8	80%	0.804	79%	0.786	S	S	*	*			trans	71.1	120	168.9	72.7	0	0	0	0	115.3
1172	T	31.8	Very low	29.6	Very low	144 Å²	144	142.2 Å²	142.2	88%	0.883	79%	0.788	S	S	*	*			cis	-130.1	140	48.9	41.5	0	0	0	0	114.3
1173	S	29.8	Very low	29.4	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	79%	0.79	S	S	*	*			trans	-103.4	143.4	172.7	-171.1	0	0	0	0	111.4	T1175	S1173-T1175 PolarHBondContact OG-OG1 2.71Å
1174	L	29.2	Very low	29.5	Very low	179 Å²	179	142.8 Å²	142.8	94%	0.937	79%	0.79	S	S	*	*			trans	-132.7	98.3	151	-114	169.9	0	0	0	108.5
1175	T	27.1	Very low	29.6	Very low	103 Å²	103	141.2 Å²	141.2	63%	0.632	78%	0.783	S	S	*	*			trans	-76.7	147.1	-176.6	-41.3	0	0	0	0	110.7	S1173	S1173-T1175 PolarHBondContact OG-OG1 2.71Å
1176	F	27.6	Very low	29.9	Very low	186 Å²	186	142.5 Å²	142.5	82%	0.816	78%	0.783	S	S	*	*			trans	-152.8	113.7	138.3	-120.7	-81.5	0	0	0	114
1177	M	28.1	Very low	30	Very low	150 Å²	150	139.6 Å²	139.6	74%	0.739	76%	0.763	S	S	*	*			trans	32.3	116.7	162.2	-65.8	-149.7	-103.4	0	0	122.4
1178	N	29.2	Very low	30	Very low	166 Å²	166	139.7 Å²	139.7	89%	0.888	76%	0.762	S	S	*	*			trans	-55.7	133.6	141.1	-112.2	-36.5	0	0	0	110.8
1179	S	28.3	Very low	30.2	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	77%	0.766	S	S	*	*			trans	-138.2	114.8	162.8	67.9	0	0	0	0	111
1180	S	28.1	Very low	30.4	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	77%	0.765	S	S	*	*			trans	-69.3	147.4	-179.4	-56.1	0	0	0	0	112.8
1181	K	27.2	Very low	30.3	Very low	202 Å²	202	140.7 Å²	140.7	88%	0.878	76%	0.763	S	S	*	*			trans	58.9	84	164.4	-59.9	-178.2	178.3	-177.4	0	116.8
1182	R	28.3	Very low	30.2	Very low	212 Å²	212	142 Å²	142	80%	0.8	76%	0.761	S	S	*	*			trans	-161.9	97.9	143.3	-112.4	166.5	-169.9	-144.1	1.3	111.6	F1184	R1182-F1184 VanDerWaalsContact C-N 3.34Å; R1182-F1184 HydrophobicContact CB-CD2 4.27Å; R1182-F1184 HydrophobicContact CG-CD2 4.1Å; R1182-F1184 HydrophobicContact CG-CE2 4.26Å; R1182-F1184 PolarHBondContact O-N 2.99Å; R1182-F1184 VanDerWaalsContact O-N 3.08Å
1183	S	29.1	Very low	30.2	Very low	127 Å²	127	141.9 Å²	141.9	89%	0.888	75%	0.754	S	S	*	*			trans	-73.3	89	163.2	50.1	0	0	0	0	108.5
1184	F	30.6	Very low	30.2	Very low	163 Å²	163	144.4 Å²	144.4	72%	0.715	76%	0.758	S	S	*	*			trans	-76.7	133.5	178.4	-120.7	-100.1	0	0	0	110.6	R1182	R1182-F1184 VanDerWaalsContact C-N 3.34Å; R1182-F1184 HydrophobicContact CB-CD2 4.27Å; R1182-F1184 HydrophobicContact CG-CD2 4.1Å; R1182-F1184 HydrophobicContact CG-CE2 4.26Å; R1182-F1184 PolarHBondContact O-N 2.99Å; R1182-F1184 VanDerWaalsContact O-N 3.08Å
1185	N	33.4	Very low	30.2	Very low	120 Å²	120	142.4 Å²	142.4	64%	0.642	75%	0.748	S	S	*	*			trans	-86.2	116.3	-165.3	-165	2.5	0	0	0	111.2	S1187	N1185-S1187 PolarHBondContact O-N 2.9Å; N1185-S1187 PolarHBondContact OD1-OG 2.71Å
1186	I	34.3	Very low	30.4	Very low	160 Å²	160	144.8 Å²	144.8	82%	0.821	76%	0.755	S	S	*	*	S	Bend	trans	-80	71.9	174.9	-54.1	178.5	0	0	0	107.9
1187	S	34.3	Very low	30.6	Very low	45 Å²	45	142.1 Å²	142.1	32%	0.315	75%	0.751	S	S	.	*			trans	-152.2	14.6	-178.5	-73.1	0	0	0	0	113.5	N1185	N1185-S1187 PolarHBondContact O-N 2.9Å; N1185-S1187 PolarHBondContact OD1-OG 2.71Å
1188	C	30.4	Very low	30.8	Very low	104 Å²	104	141.5 Å²	141.5	70%	0.703	75%	0.752	S	S	*	*	S	Bend	trans	-131.5	32.3	176.4	-58.4	0	0	0	0	111.9
1189	L	32	Very low	30.9	Very low	161 Å²	161	139.6 Å²	139.6	84%	0.843	74%	0.741	S	S	*	*	S	Bend	trans	-139.6	9.8	175	-109.4	160.8	0	0	0	112
1190	L	36	Very low	31.2	Very low	163 Å²	163	142.2 Å²	142.2	85%	0.853	74%	0.74	S	S	*	*			trans	-139.1	22	172.9	-70.5	172.1	0	0	0	110
1191	E	30.2	Very low	31.4	Very low	139 Å²	139	145.1 Å²	145.1	65%	0.65	74%	0.737	S	S	*	*			trans	-123.3	0	167.2	-84	-173.6	-173.6	0	0	108.5	K638	K638-E1191 WeakPolarHBondContact CE-OE1 3.49Å; K638-E1191 WeakPolarHBondContact CG-OE1 3.37Å; K638-E1191 IonicContact NZ-OE1 2.74Å; K638-E1191 PolarHBondContact NZ-OE1 3.45Å

Retrieved 1,191 of 1,191 residues in 1401.3 ms (Link to these results)

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