A0A077ZG54_TRITR Loading...

Hepatocyte growth factor-like protein

AlphaFold DB , UniProt , Accession A0A077ZG54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,002 aa.

						>A0A077ZG54_TRITR|A0A077ZG54
MLQIYAAPLCVLLLSFNLNFVSSGSADLYSLKKNHLPYPYVGRRTLHELGFCSKTVHKNYKGKSVFTGENFDSYVWRNETDAETVDTSTNEKLDLKFRQQLEPLRCLEIREGFGAEEDYIDNSCVPYMFRRYVGWFLSLGNKEKYSGDKFKKNCTEYVCAVVNEQYPTCPTRGGRSKVPCVHFCEHYHWICDPNKLFLKRDYRRYKHFLVQHFWGTRTGIYNKESTSTIRYRSGDSVVKRIPLESSDEGPSTELAQCTEEQYRNQAPSHHVGCISEDAMRHFVYYKGERTDVVTYKNTTAYGHDCKAYELTPAICTFKLNGNEIPSCHTDGTNIEPCFPVCRKHDPQLNHIRHLGHRTRKELETIESKASQQGVPPFILFPSRRQEEGYEVYCGTKMQYAHLFKQLPGNVECFNEYPIGFGKLNTTRPYHNLLHLERLTYVNTTDKEGRKHKATKIETVDKEYPGCRPKHNYMRSYKGTTARTIHGYQCERWQDVKMHNFRDHHFPDKSVADANNYCRNPDKSPCGPWCYYKNGTDLKHEPCFNTCVKVQEDPYVACRPGPILQWSDNNIFQLEPRNKTRTGRQCVEEDESHSYIGPMCYINANTREPCYYACEHRNLFCIDRDHMLNIEYNGPKNKTIYGEDCISWSHMMDYARRGEMNHQWKWIFQDTRASALPELFSKPMEHNQCLNILTLIKDQASYYKFPGIDPIILKGPICFVNFKSFIMPQPCFRTCEDMSIEENNCIENATIQTAVYTGFRTQTKTGKPCKRWDERVLDYKVPWEITGPLHNYCRNYGEYEHGPWCYVFDKGVEREACFDVCPKGKTLVRHKEADHNWHYDTCTEHSDCCQDAETIMEGPKKEEKYSEILSELDKIWPDPSKEIAEIMLRQHEDEEKENKLIMYFGIYAVSHLFVCICWIWWINRGPDPEKERQNLEVEEEKERLKEVAESLAKKTKKPRRRPSGSFSDSGKSKSREWFSRLRRSRTSAPGPPQSVGQIKLLET
					

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	29.3	Very low	33.5	Very low	233 Å²	233	161.2 Å²	161.2	100%	1.148	90%	0.895	S	S	*	*				0	111.6	0	-75.2	-75.5	-94.1	0	0	107.6
2	L	28	Very low	33.3	Very low	177 Å²	177	161.5 Å²	161.5	93%	0.927	89%	0.892	S	S	*	*			trans	69.5	95.4	-170.2	-63.2	155.9	0	0	0	116.2
3	Q	32.9	Very low	33.2	Very low	195 Å²	195	162 Å²	162	91%	0.911	89%	0.891	S	S	*	*			trans	167.4	-5	139.2	-95.4	-173	0.8	0	0	114.2	Y5	Q3-Y5 PolarHBondContact O-N 2.88Å; Q3-Y5 VanDerWaalsContact O-N 3.13Å
4	I	36.5	Very low	33.1	Very low	167 Å²	167	163 Å²	163	86%	0.856	89%	0.893	S	S	*	*			trans	-83.5	82.4	174.5	-50.7	177.9	0	0	0	110.6
5	Y	35.9	Very low	32.9	Very low	234 Å²	234	156.4 Å²	156.4	92%	0.918	86%	0.864	S	S	*	*			trans	-153.9	78.6	169.3	-82.8	-66	0	0	0	112.9	Q3	Q3-Y5 PolarHBondContact O-N 2.88Å; Q3-Y5 VanDerWaalsContact O-N 3.13Å
6	A	36.8	Very low	32.9	Very low	96 Å²	96	156.8 Å²	156.8	79%	0.793	85%	0.854	S	S	*	*			trans	-163.4	137.2	158.8	0	0	0	0	0	110.9
7	A	32.7	Very low	33	Very low	96 Å²	96	153.6 Å²	153.6	79%	0.793	84%	0.836	S	S	*	*			trans	50.9	105.2	173.3	0	0	0	0	0	116.9
8	P	36.1	Very low	33	Very low	134 Å²	134	150.6 Å²	150.6	87%	0.87	82%	0.819	S	S	*	*				-127.7	125.3	98.5	35.1	-30.1	0	0	0	112.5
9	L	31.9	Very low	33	Very low	167 Å²	167	147.9 Å²	147.9	87%	0.874	80%	0.804	S	S	*	*			trans	-158	63.6	-176.4	-143.1	173.1	0	0	0	111.5
10	C	33	Very low	32.9	Very low	130 Å²	130	148.7 Å²	148.7	88%	0.878	80%	0.799	S	S	*	*	S	Bend	trans	-160.9	-4.5	176.1	-139.5	0	0	0	0	118
11	V	35.4	Very low	32.8	Very low	144 Å²	144	148 Å²	148	87%	0.873	80%	0.8	S	S	*	*			trans	-124.1	72.2	-170	-169.2	0	0	0	0	110.8
12	L	31.2	Very low	32.8	Very low	165 Å²	165	141 Å²	141	86%	0.864	77%	0.774	S	S	*	*			trans	-153.1	29.3	-178.1	-120.6	175	0	0	0	114.8
13	L	32.4	Very low	32.8	Very low	168 Å²	168	138.3 Å²	138.3	88%	0.88	77%	0.77	S	S	*	*			trans	-137.6	147.6	173.6	-69	172.9	0	0	0	110.2
14	L	31.8	Very low	32.6	Very low	176 Å²	176	132.6 Å²	132.6	92%	0.921	76%	0.763	S	S	*	*			trans	79.9	84.6	172	-54.6	170.9	0	0	0	119
15	S	29.8	Very low	32.3	Very low	64 Å²	64	130.1 Å²	130.1	45%	0.448	76%	0.761	S	S	.	*			trans	-172	104.7	144.4	56	0	0	0	0	112.5
16	F	33.4	Very low	31.9	Very low	162 Å²	162	122.8 Å²	122.8	71%	0.711	75%	0.749	S	S	*	*			trans	-166	143.7	176.4	-109.4	-77.7	0	0	0	113.9	T84	F16-T84 CarbonylContact C-O 3.58Å
17	N	34.8	Very low	31.5	Very low	103 Å²	103	125.5 Å²	125.5	55%	0.551	75%	0.75	S	S	*	*			trans	68	125	177.3	-43.5	-65	0	0	0	118.7	T84 V85	N17-T84 CarbonylContact C-O 3.52Å; N17-T84 PolarHBondContact N-O 3.32Å; N17-T84 CarbonylContact O-C 3.53Å; N17-T84 WeakPolarHBondContact O-CA 3.43Å; N17-T84 PolarHBondContact O-N 2.76Å; N17-T84 VanDerWaalsContact O-O 3.1Å; N17-V85 VanDerWaalsContact CA-CG2 3.48Å
18	L	32.7	Very low	31.2	Very low	100 Å²	100	127.7 Å²	127.7	52%	0.524	75%	0.748	S	S	.	*			cis	-163.1	-170.8	-14.6	-125.5	173.9	0	0	0	112.5	V85	L18-V85 CarbonylContact C-O 3.53Å; L18-V85 VanDerWaalsContact CA-O 3.32Å; L18-V85 WeakPolarHBondContact CA-O 3.42Å; L18-V85 HydrophobicContact CB-CG2 4.5Å; L18-V85 HydrophobicContact CD2-CG2 4.33Å; L18-V85 HydrophobicContact CG-CG2 4.07Å; L18-V85 VanDerWaalsContact O-O 3.11Å
19	N	32.5	Very low	30.6	Very low	99 Å²	99	131.2 Å²	131.2	53%	0.529	75%	0.745	S	S	.	*			trans	-117	168	-167	-104.9	-30.7	0	0	0	114.7	V85 D86	N19-V85 PolarHBondContact N-O 3.44Å; N19-V85 VanDerWaalsContact N-O 3.15Å; N19-V85 PolarHBondContact OD1-O 2.78Å; N19-D86 PolarHBondContact ND2-N 3.39Å
20	F	30.8	Very low	30.2	Very low	164 Å²	164	128.3 Å²	128.3	72%	0.719	74%	0.739	S	S	*	*				137.6	152.3	123.4	-97.9	-67	0	0	0	121.7
21	V	30.2	Very low	29.7	Very low	134 Å²	134	129.9 Å²	129.9	81%	0.812	74%	0.737	S	S	*	*			trans	72.4	142.3	149.9	159.6	0	0	0	0	117.7
22	S	29.6	Very low	29.1	Very low	87 Å²	87	132.1 Å²	132.1	61%	0.608	74%	0.735	S	S	*	*			cis	-156.2	137.4	-7.7	151.9	0	0	0	0	107.5
23	S	28	Very low	28.9	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	73%	0.734	S	S	*	*				75.7	130.2	66.5	107.6	0	0	0	0	116.5
24	G	29.8	Very low	28.5	Very low	75 Å²	75	131.9 Å²	131.9	77%	0.773	73%	0.727	S	S	*	*			trans	169.7	125.6	178	0	0	0	0	0	114.2
25	S	30.2	Very low	28.3	Very low	115 Å²	115	132 Å²	132	80%	0.804	72%	0.723	S	S	*	*			trans	-40.5	137.1	178.8	48.3	0	0	0	0	116.5
26	A	27.6	Very low	28.1	Very low	81 Å²	81	137.4 Å²	137.4	67%	0.669	75%	0.745	S	S	*	*				71.1	139.6	53.6	0	0	0	0	0	113.3
27	D	27.8	Very low	27.8	Very low	153 Å²	153	134.7 Å²	134.7	82%	0.818	74%	0.744	S	S	*	*			cis	-122.2	-134.9	7.8	-75.2	-73.7	0	0	0	111.7
28	L	25.7	Very low	27.4	Very low	142 Å²	142	138.2 Å²	138.2	74%	0.743	75%	0.751	S	S	*	*			cis	-162.9	155.5	5.6	-166.8	62.5	0	0	0	113.9
29	Y	24.3	Very low	27.2	Very low	207 Å²	207	138.6 Å²	138.6	81%	0.812	76%	0.759	S	S	*	*			trans	35.6	110.1	166.7	-80.9	-59.1	0	0	0	123.2
30	S	22.6	Very low	26.7	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	77%	0.768	S	S	*	*				45.5	104.5	125.9	174.1	0	0	0	0	120.7
31	L	23.4	Very low	26.6	Very low	163 Å²	163	140.1 Å²	140.1	85%	0.853	77%	0.767	S	S	*	*			trans	-157.4	153.2	131.3	-113.6	162	0	0	0	113.2
32	K	23.6	Very low	26.3	Very low	191 Å²	191	135.9 Å²	135.9	83%	0.83	75%	0.75	S	S	*	*			trans	-56.4	137.7	-173.8	-57.2	163.5	179.7	174.1	0	113.3
33	K	26.1	Very low	26	Very low	190 Å²	190	143.8 Å²	143.8	83%	0.826	77%	0.766	S	S	*	*			trans	-153.1	119.9	151.7	-113.3	169.9	-175.3	178.9	0	111.9
34	N	24.6	Very low	26	Very low	138 Å²	138	149.6 Å²	149.6	74%	0.738	77%	0.77	S	S	*	*			trans	-87.9	175.8	164.9	-71.5	-7.4	0	0	0	109.8
35	H	26.6	Very low	25.8	Very low	180 Å²	180	152.2 Å²	152.2	83%	0.833	77%	0.771	S	S	*	*			trans	89.7	114.4	167.7	-49.1	-68.8	0	0	0	117.7
36	L	25.8	Very low	25.5	Very low	176 Å²	176	154.6 Å²	154.6	92%	0.921	77%	0.774	S	S	*	*			trans	-133.5	162.2	150.7	-82	177.1	0	0	0	108.6
37	P	27.1	Very low	25.6	Very low	106 Å²	106	159.3 Å²	159.3	69%	0.688	78%	0.782	S	S	*	*			trans	-124.2	179	-139.4	43.2	-33.1	0	0	0	115.9
38	Y	26.2	Very low	25.5	Very low	177 Å²	177	159.8 Å²	159.8	69%	0.694	78%	0.779	S	S	*	*			trans	-118.8	154.9	153.7	-88	-86.6	0	0	0	109.9	L788	Y38-L788 HydrophobicContact CE2-CD2 4.46Å
39	P	28.6	Very low	25.5	Very low	108 Å²	108	161.2 Å²	161.2	70%	0.701	79%	0.787	S	S	*	*			trans	-83.6	162.2	-157.1	32.3	-36.4	0	0	0	115.4
40	Y	22.6	Very low	25.6	Very low	180 Å²	180	155 Å²	155	71%	0.706	79%	0.786	S	S	*	*			trans	-100.6	139.8	180	174.7	-88.7	0	0	0	111
41	V	27.8	Very low	25.7	Very low	115 Å²	115	160.2 Å²	160.2	70%	0.697	80%	0.795	S	S	*	*			trans	-123.9	130	169.5	-174.1	0	0	0	0	108.9
42	G	24.3	Very low	25.7	Very low	44 Å²	44	157.4 Å²	157.4	45%	0.454	79%	0.789	S	S	.	*			trans	-111.4	151.9	-177.8	0	0	0	0	0	112.8
43	R	23.5	Very low	25.8	Very low	253 Å²	253	153.4 Å²	153.4	96%	0.955	79%	0.785	S	S	*	*			trans	-49.6	139.2	179.6	-73.1	-179.8	172.5	175.7	-3.6	113.1
44	R	27.6	Very low	25.8	Very low	241 Å²	241	153.7 Å²	153.7	91%	0.909	79%	0.786	S	S	*	*			trans	-112.7	144.9	150.4	-83.5	-172.5	171.1	-174.9	-0.9	110.4
45	T	26	Very low	25.8	Very low	131 Å²	131	153 Å²	153	80%	0.804	79%	0.787	S	S	*	*			trans	-87.7	147.2	171.8	45.8	0	0	0	0	110.2
46	L	24.5	Very low	25.9	Very low	164 Å²	164	150.4 Å²	150.4	86%	0.859	78%	0.783	S	S	*	*			trans	-59.9	147.1	171.5	-80.1	71.1	0	0	0	111.1
47	H	28.4	Very low	25.9	Very low	180 Å²	180	149.7 Å²	149.7	83%	0.833	78%	0.775	S	S	*	*			trans	-149.9	156	143.5	-113.5	-73.4	0	0	0	109.1
48	E	26.3	Very low	26	Very low	163 Å²	163	152.8 Å²	152.8	76%	0.762	78%	0.777	S	S	*	*			trans	-89	153.1	-161.4	-60.4	149.8	121.1	0	0	114.1
49	L	25.8	Very low	26.1	Very low	173 Å²	173	150.6 Å²	150.6	91%	0.906	78%	0.778	S	S	*	*			trans	45.8	97.8	147.8	-64.6	164.7	0	0	0	118.3
50	G	25.6	Very low	26.1	Very low	77 Å²	77	153.9 Å²	153.9	79%	0.794	78%	0.777	S	S	*	*			trans	172.2	121.2	160.4	0	0	0	0	0	117.5
51	F	26.1	Very low	26.6	Very low	214 Å²	214	152.9 Å²	152.9	94%	0.939	78%	0.777	S	S	*	*			trans	-36.3	141	173.1	-71	-95.9	0	0	0	116.8
52	C	23.6	Very low	27.1	Very low	105 Å²	105	148.5 Å²	148.5	71%	0.709	76%	0.755	S	S	*	*			trans	-64.6	134	-176.4	-42.3	0	0	0	0	114.6
53	S	23.9	Very low	27.6	Very low	107 Å²	107	153.3 Å²	153.3	75%	0.748	76%	0.764	S	S	*	*			trans	-159.1	139.2	148	-146.3	0	0	0	0	114
54	K	27.8	Very low	28	Very low	195 Å²	195	142.6 Å²	142.6	85%	0.848	73%	0.727	S	S	*	*			trans	69.6	131.1	163.5	-65.9	172.6	-177.5	175.6	0	119
55	T	24.7	Very low	28.1	Very low	124 Å²	124	137.7 Å²	137.7	76%	0.761	72%	0.724	S	S	*	*			trans	-64.1	136.1	175.6	47.8	0	0	0	0	113.8
56	V	27.1	Very low	28.1	Very low	125 Å²	125	138.9 Å²	138.9	76%	0.758	72%	0.718	S	S	*	*			trans	-134.8	110.2	161.4	-179	0	0	0	0	109
57	H	26.2	Very low	28.4	Very low	161 Å²	161	134.8 Å²	134.8	75%	0.745	70%	0.7	S	S	*	*			trans	-72.9	140	173.3	-62	-85	0	0	0	110.5
58	K	28.6	Very low	28.6	Very low	171 Å²	171	128.3 Å²	128.3	74%	0.743	68%	0.682	S	S	*	*			trans	-134.3	122.9	168.1	-73.6	-172.6	176.5	179.9	0	109.6
59	N	28.9	Very low	28.9	Very low	131 Å²	131	126.1 Å²	126.1	70%	0.701	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-80.2	142.9	-179.9	-56.4	-9.8	0	0	0	109.7
60	Y	29.2	Very low	29.4	Very low	178 Å²	178	124 Å²	124	70%	0.698	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-103.1	124.8	176.1	-75.7	-92.6	0	0	0	110.5
61	K	33.4	Very low	30	Very low	158 Å²	158	126 Å²	126	69%	0.687	65%	0.648	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.9	129.8	163.9	-63.7	-174.7	157.6	-84.9	0	107.7	D72	K61-D72 WeakPolarHBondContact CG-OD1 3.44Å; K61-D72 IonicContact NZ-OD1 3.13Å; K61-D72 PolarHBondContact NZ-OD1 3.17Å; K61-D72 IonicContact NZ-OD2 2.87Å; K61-D72 PolarHBondContact NZ-OD2 3.34Å
62	G	37.9	Very low	30.3	Very low	24 Å²	24	119.6 Å²	119.6	25%	0.247	62%	0.624	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.8	156.3	-177.4	0	0	0	0	0	112.5	N70 F71	G62-N70 CarbonylContact O-C 3.54Å; G62-N70 WeakPolarHBondContact O-CA 3.26Å; G62-F71 PolarHBondContact N-O 2.88Å; G62-F71 PolarHBondContact O-N 2.74Å
63	K	34	Very low	30.7	Very low	145 Å²	145	117.7 Å²	117.7	63%	0.63	61%	0.612	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.8	125.2	166.7	-170.4	172.3	-173.3	-179.9	0	109	V65 G68 E69 N70	K63-V65 PolarHBondContact O-N 3.37Å; K63-G68 WeakPolarHBondContact CE-O 3.49Å; K63-E69 CarbonylContact C-O 3.52Å; K63-E69 WeakPolarHBondContact CA-O 3.35Å; K63-N70 WeakPolarHBondContact CD-OD1 3.33Å; K63-N70 WeakPolarHBondContact CG-OD1 3.17Å
64	S	33.4	Very low	30.7	Very low	28 Å²	28	121.5 Å²	121.5	20%	0.196	61%	0.611	C	S	.	*			trans	-66.3	121.2	-176.7	174.7	0	0	0	0	111.1	F66 T67 G68 E69	S64-F66 PolarHBondContact O-N 3.35Å; S64-F66 PolarHBondContact OG-N 3.04Å; S64-T67 WeakPolarHBondContact CB-OG1 3.28Å; S64-T67 PolarHBondContact OG-N 2.62Å; S64-T67 PolarHBondContact OG-OG1 2.84Å; S64-G68 VanDerWaalsContact O-CA 3.25Å; S64-G68 WeakPolarHBondContact O-CA 3.44Å; S64-G68 PolarHBondContact O-N 3.1Å; S64-E69 WeakPolarHBondContact CB-O 3.22Å; S64-E69 PolarHBondContact N-O 3.11Å
65	V	29.1	Very low	30.5	Very low	137 Å²	137	118.6 Å²	118.6	83%	0.83	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-23.7	174.9	-178.6	0	0	0	0	111.6	K63	K63-V65 PolarHBondContact O-N 3.37Å
66	F	25.8	Very low	30.6	Very low	157 Å²	157	123.7 Å²	123.7	69%	0.689	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-14.9	-175.7	-71.9	-77.2	0	0	0	114.9	S64 K722	S64-F66 PolarHBondContact O-N 3.35Å; S64-F66 PolarHBondContact OG-N 3.04Å; F66-K722 HydrophobicContact CZ-CB 4.41Å; F66-K722 HydrophobicContact CZ-CD 4.28Å; F66-K722 HydrophobicContact CZ-CG 4.45Å
67	T	31.5	Very low	30.4	Very low	78 Å²	78	128.4 Å²	128.4	48%	0.479	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.2	-11.1	176.2	67.7	0	0	0	0	114.1	S64 E69	S64-T67 WeakPolarHBondContact CB-OG1 3.28Å; S64-T67 PolarHBondContact OG-N 2.62Å; S64-T67 PolarHBondContact OG-OG1 2.84Å; T67-E69 WeakPolarHBondContact CB-OE2 3.42Å; T67-E69 PolarHBondContact O-N 3.42Å; T67-E69 PolarHBondContact OG1-OE2 2.71Å
68	G	32.2	Very low	30.4	Very low	44 Å²	44	124.7 Å²	124.7	45%	0.454	60%	0.604	S	S	.	*			trans	72.3	-2.8	-176.8	0	0	0	0	0	114.7	K63 S64	K63-G68 WeakPolarHBondContact CE-O 3.49Å; S64-G68 VanDerWaalsContact O-CA 3.25Å; S64-G68 WeakPolarHBondContact O-CA 3.44Å; S64-G68 PolarHBondContact O-N 3.1Å
69	E	32.4	Very low	30.3	Very low	116 Å²	116	124.6 Å²	124.6	54%	0.542	61%	0.607	S	S	.	*			trans	-80.7	145.7	-176.8	-64.1	159.6	139.3	0	0	111.7	K63 S64 T67	K63-E69 CarbonylContact C-O 3.52Å; K63-E69 WeakPolarHBondContact CA-O 3.35Å; S64-E69 WeakPolarHBondContact CB-O 3.22Å; S64-E69 PolarHBondContact N-O 3.11Å; T67-E69 WeakPolarHBondContact CB-OE2 3.42Å; T67-E69 PolarHBondContact O-N 3.42Å; T67-E69 PolarHBondContact OG1-OE2 2.71Å
70	N	36.1	Very low	30.2	Very low	128 Å²	128	123.8 Å²	123.8	68%	0.684	61%	0.606	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84	143.3	170.3	-60	-30	0	0	0	109.7	G62 K63	G62-N70 CarbonylContact O-C 3.54Å; G62-N70 WeakPolarHBondContact O-CA 3.26Å; K63-N70 WeakPolarHBondContact CD-OD1 3.33Å; K63-N70 WeakPolarHBondContact CG-OD1 3.17Å
71	F	37.3	Very low	30.2	Very low	119 Å²	119	122.2 Å²	122.2	52%	0.522	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.8	144.6	173	64	-89.8	0	0	0	112.4	G62	G62-F71 PolarHBondContact N-O 2.88Å; G62-F71 PolarHBondContact O-N 2.74Å
72	D	32.5	Very low	29.9	Very low	80 Å²	80	119.2 Å²	119.2	43%	0.428	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113	135.3	172.3	-71.9	2.4	0	0	0	108.1	K61 Y74	K61-D72 WeakPolarHBondContact CG-OD1 3.44Å; K61-D72 IonicContact NZ-OD1 3.13Å; K61-D72 PolarHBondContact NZ-OD1 3.17Å; K61-D72 IonicContact NZ-OD2 2.87Å; K61-D72 PolarHBondContact NZ-OD2 3.34Å; D72-Y74 HydrophobicContact CB-CE2 4.21Å
73	S	32	Very low	29.6	Very low	65 Å²	65	126.7 Å²	126.7	46%	0.455	64%	0.643	S	S	.	*			trans	-103	133.1	171.2	54	0	0	0	0	112.2
74	Y	25.4	Very low	29.3	Very low	188 Å²	188	123.8 Å²	123.8	74%	0.737	64%	0.638	S	S	*	*			trans	-117.6	151.3	174	-76.5	-95.4	0	0	0	109.9	D72	D72-Y74 HydrophobicContact CB-CE2 4.21Å
75	V	23.9	Very low	29.1	Very low	134 Å²	134	124.4 Å²	124.4	81%	0.812	64%	0.64	S	S	*	*			trans	-130.9	142.7	175.4	179.9	0	0	0	0	108.1
76	W	25	Very low	29.1	Very low	230 Å²	230	120.7 Å²	120.7	87%	0.871	62%	0.616	S	S	*	*			trans	-133.8	158.5	173	-103.4	91.3	0	0	0	113.3
77	R	24.6	Very low	29.2	Very low	225 Å²	225	116.9 Å²	116.9	85%	0.849	61%	0.606	S	S	*	*			trans	-86.5	172.1	-164.7	-74.3	-176.6	177.5	158.1	-1.2	114.6
78	N	25.6	Very low	29	Very low	82 Å²	82	117 Å²	117	44%	0.439	61%	0.609	S	S	.	*			trans	-119.9	134.4	175.7	166.7	106.3	0	0	0	110.3	R110	N78-R110 VanDerWaalsContact CG-NH2 3.25Å; N78-R110 PolarHBondContact ND2-NH1 3.5Å; N78-R110 VanDerWaalsContact ND2-NH1 3.13Å; N78-R110 PolarHBondContact OD1-NH2 2.78Å
79	E	27.3	Very low	29	Very low	170 Å²	170	119.2 Å²	119.2	79%	0.794	61%	0.614	S	S	*	*			trans	176.3	107.5	153.5	-101.4	148.3	-151	0	0	106.7
80	T	26.5	Very low	29.1	Very low	113 Å²	113	119.9 Å²	119.9	69%	0.693	62%	0.621	S	S	*	*				104.9	164	89	46.1	0	0	0	0	112.4
81	D	29	Very low	28.8	Very low	146 Å²	146	120.6 Å²	120.6	78%	0.781	62%	0.621	S	S	*	*			trans	80	78.5	163.2	-50.1	-30.1	0	0	0	121.7
82	A	27.3	Very low	28.5	Very low	94 Å²	94	121 Å²	121	78%	0.777	62%	0.622	S	S	*	*				80.5	151.3	116.8	0	0	0	0	0	125.5
83	E	31	Very low	28.1	Very low	181 Å²	181	125.6 Å²	125.6	85%	0.846	65%	0.646	S	S	*	*			trans	80.7	140.6	165.1	-46.9	-159.7	147.6	0	0	119.7
84	T	28.1	Very low	27.9	Very low	84 Å²	84	125.7 Å²	125.7	52%	0.515	64%	0.641	S	S	.	*			trans	-166.9	131.9	-143.1	47.3	0	0	0	0	120.7	F16 N17	F16-T84 CarbonylContact C-O 3.58Å; N17-T84 CarbonylContact C-O 3.52Å; N17-T84 PolarHBondContact N-O 3.32Å; N17-T84 CarbonylContact O-C 3.53Å; N17-T84 WeakPolarHBondContact O-CA 3.43Å; N17-T84 PolarHBondContact O-N 2.76Å; N17-T84 VanDerWaalsContact O-O 3.1Å
85	V	29.4	Very low	28	Very low	41 Å²	41	124.8 Å²	124.8	25%	0.248	65%	0.648	C	S	.	*			trans	171.6	-175.7	141	-75.4	0	0	0	0	108.3	N17 L18 N19	N17-V85 VanDerWaalsContact CA-CG2 3.48Å; L18-V85 CarbonylContact C-O 3.53Å; L18-V85 VanDerWaalsContact CA-O 3.32Å; L18-V85 WeakPolarHBondContact CA-O 3.42Å; L18-V85 HydrophobicContact CB-CG2 4.5Å; L18-V85 HydrophobicContact CD2-CG2 4.33Å; L18-V85 HydrophobicContact CG-CG2 4.07Å; L18-V85 VanDerWaalsContact O-O 3.11Å; N19-V85 PolarHBondContact N-O 3.44Å; N19-V85 VanDerWaalsContact N-O 3.15Å; N19-V85 PolarHBondContact OD1-O 2.78Å
86	D	27.9	Very low	28.2	Very low	60 Å²	60	125.3 Å²	125.3	32%	0.321	64%	0.64	S	S	.	*			cis	73.4	94.1	16.1	-157.8	47.9	0	0	0	122.9	N19 S88 K96	N19-D86 PolarHBondContact ND2-N 3.39Å; D86-S88 PolarHBondContact OD1-N 3Å; D86-K96 IonicContact OD2-NZ 2.77Å; D86-K96 PolarHBondContact OD2-NZ 2.97Å
87	T	28.5	Very low	28.3	Very low	77 Å²	77	121.9 Å²	121.9	47%	0.472	63%	0.631	S	S	.	*			trans	-137	101.3	141.3	52.4	0	0	0	0	107.9
88	S	28.1	Very low	28.6	Very low	79 Å²	79	120.5 Å²	120.5	55%	0.552	63%	0.626	S	S	*	*				71.6	131.2	94.2	78.6	0	0	0	0	114.9	D86	D86-S88 PolarHBondContact OD1-N 3Å
89	T	31.3	Very low	28.7	Very low	91 Å²	91	123.6 Å²	123.6	56%	0.558	64%	0.638	S	S	*	*			cis	-146	150	6.8	55.3	0	0	0	0	108.9
90	N	33.8	Very low	28.7	Very low	130 Å²	130	122.9 Å²	122.9	70%	0.695	63%	0.634	S	S	*	*	S	Bend		-174.8	155.4	73.9	-85.5	15.2	0	0	0	108.2
91	E	29.9	Very low	28.8	Very low	144 Å²	144	124.3 Å²	124.3	67%	0.673	64%	0.637	S	S	*	*			cis	-168.7	137.2	-33.1	-128.5	150.3	-139.4	0	0	110.8
92	K	31.4	Very low	28.6	Very low	127 Å²	127	122.5 Å²	122.5	55%	0.552	62%	0.624	S	S	*	*			cis	-169.8	78.1	-36.3	-118.1	177.4	-169.9	174.8	0	111.4
93	L	23.9	Very low	28.6	Very low	176 Å²	176	123.9 Å²	123.9	92%	0.921	63%	0.625	S	S	*	*	S	Bend	trans	-170.4	140.3	166.7	-95.6	135.3	0	0	0	106.3
94	D	27.3	Very low	28.3	Very low	67 Å²	67	123.6 Å²	123.6	36%	0.358	63%	0.628	S	S	.	*	S	Bend	cis	-109.4	-1.8	7.4	172.7	57.2	0	0	0	114.1	K96 F97 R98	D94-K96 PolarHBondContact O-N 3.3Å; D94-F97 PolarHBondContact O-N 2.87Å; D94-F97 WeakPolarHBondContact OD1-CB 3.12Å; D94-R98 IonicContact OD2-NE 3.83Å; D94-R98 PolarHBondContact OD2-NE 2.83Å; D94-R98 IonicContact OD2-NH2 3.51Å
95	L	28.7	Very low	28.1	Very low	169 Å²	169	125.9 Å²	125.9	89%	0.885	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	19.5	-170.1	-88.6	88.2	0	0	0	117.2
96	K	27.4	Very low	27.9	Very low	146 Å²	146	129.6 Å²	129.6	64%	0.635	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	-4.9	165.7	-84	-161.1	164.2	-159.5	0	116.4	D86 D94 R98	D86-K96 IonicContact OD2-NZ 2.77Å; D86-K96 PolarHBondContact OD2-NZ 2.97Å; D94-K96 PolarHBondContact O-N 3.3Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 3.46Å
97	F	26.6	Very low	27.7	Very low	157 Å²	157	134 Å²	134	69%	0.689	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-21	173.2	-158.2	-106.6	0	0	0	112.8	D94 Q99	D94-F97 PolarHBondContact O-N 2.87Å; D94-F97 WeakPolarHBondContact OD1-CB 3.12Å; F97-Q99 VanDerWaalsContact C-N 3.33Å; F97-Q99 PolarHBondContact O-N 3.47Å
98	R	30.6	Very low	27.4	Very low	196 Å²	196	138.1 Å²	138.1	74%	0.74	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	1.4	-172.3	-60.3	-174.9	-178.1	-153.3	-6.8	116.3	D94 K96	D94-R98 IonicContact OD2-NE 3.83Å; D94-R98 PolarHBondContact OD2-NE 2.83Å; D94-R98 IonicContact OD2-NH2 3.51Å; K96-R98 VanDerWaalsContact C-N 3.29Å; K96-R98 PolarHBondContact O-N 3.46Å
99	Q	28.1	Very low	27.3	Very low	148 Å²	148	140.7 Å²	140.7	69%	0.692	70%	0.697	S	S	*	*	S	Bend	trans	-136.6	-6.2	-173.7	-73.4	-167	-27.3	0	0	118.5	F97 R105	F97-Q99 VanDerWaalsContact C-N 3.33Å; F97-Q99 PolarHBondContact O-N 3.47Å; Q99-R105 PolarHBondContact O-NH2 2.8Å
100	Q	27.6	Very low	26.9	Very low	154 Å²	154	143.8 Å²	143.8	72%	0.72	70%	0.699	S	S	*	*	S	Bend	trans	-135.9	70.2	176	-76.8	-170.3	-45.4	0	0	113.1
101	L	28.2	Very low	26.5	Very low	144 Å²	144	146.8 Å²	146.8	75%	0.754	71%	0.708	S	S	*	*			trans	-157.7	60.8	148.8	-113.1	172.5	0	0	0	110.9
102	E	26.5	Very low	26.2	Very low	107 Å²	107	142.9 Å²	142.9	50%	0.5	71%	0.707	S	S	.	*			trans	-62.6	146.3	153.7	-76.7	166.6	143.6	0	0	109.1	R105	E102-R105 HydrophobicContact CG-CB 4.11Å; E102-R105 HydrophobicContact CG-CG 3.78Å; E102-R105 WeakPolarHBondContact OE1-CD 3.47Å; E102-R105 WeakPolarHBondContact OE1-CG 3.29Å; E102-R105 IonicContact OE1-CZ 3.69Å; E102-R105 IonicContact OE1-NE 2.8Å; E102-R105 IonicContact OE1-NH1 3.77Å; E102-R105 PolarHBondContact OE1-NH1 2.86Å; E102-R105 IonicContact OE2-NH1 3.32Å; E102-R105 PolarHBondContact OE2-NH1 3.04Å; E102-R105 VanDerWaalsContact OE2-NH1 3.13Å
103	P	25.7	Very low	25.8	Very low	123 Å²	123	146.3 Å²	146.3	80%	0.799	72%	0.722	S	S	*	*	S	Bend	cis	-118	110.4	27.4	36.2	-23.5	0	0	0	114.9
104	L	25.1	Very low	25.8	Very low	175 Å²	175	140.1 Å²	140.1	92%	0.916	70%	0.701	S	S	*	*			trans	-164	36.4	140.8	-105.8	177.8	0	0	0	111
105	R	24.8	Very low	25.6	Very low	132 Å²	132	140.2 Å²	140.2	50%	0.498	71%	0.711	S	S	.	*			trans	-64.5	150.5	169.9	-90.8	-153.6	-169.1	113.6	-1.1	110.5	Q99 E102	Q99-R105 PolarHBondContact O-NH2 2.8Å; E102-R105 HydrophobicContact CG-CB 4.11Å; E102-R105 HydrophobicContact CG-CG 3.78Å; E102-R105 WeakPolarHBondContact OE1-CD 3.47Å; E102-R105 WeakPolarHBondContact OE1-CG 3.29Å; E102-R105 IonicContact OE1-CZ 3.69Å; E102-R105 IonicContact OE1-NE 2.8Å; E102-R105 IonicContact OE1-NH1 3.77Å; E102-R105 PolarHBondContact OE1-NH1 2.86Å; E102-R105 IonicContact OE2-NH1 3.32Å; E102-R105 PolarHBondContact OE2-NH1 3.04Å; E102-R105 VanDerWaalsContact OE2-NH1 3.13Å
106	C	23.5	Very low	25.6	Very low	120 Å²	120	142 Å²	142	81%	0.811	72%	0.715	S	S	*	*			trans	-54.8	136.1	172.8	-54.5	0	0	0	0	111.2	E108	C106-E108 PolarHBondContact O-N 3.31Å; C106-E108 VanDerWaalsContact O-N 3.16Å
107	L	23.6	Very low	25.7	Very low	153 Å²	153	141.8 Å²	141.8	80%	0.801	72%	0.716	S	S	*	*			trans	-72.8	102.4	161.9	-84.4	170.2	0	0	0	108.9	I109	L107-I109 HydrophobicContact CB-CG1 4.42Å; L107-I109 HydrophobicContact CD1-CD1 4.49Å; L107-I109 HydrophobicContact CD2-CD1 4.29Å; L107-I109 HydrophobicContact CD2-CG1 4.48Å; L107-I109 PolarHBondContact O-N 2.82Å
108	E	23.1	Very low	25.7	Very low	162 Å²	162	139.1 Å²	139.1	76%	0.757	71%	0.709	S	S	*	*			trans	-68.9	85.7	156.7	-74.5	-166	167.4	0	0	109.5	C106	C106-E108 PolarHBondContact O-N 3.31Å; C106-E108 VanDerWaalsContact O-N 3.16Å
109	I	26.5	Very low	25.5	Very low	134 Å²	134	140.9 Å²	140.9	69%	0.687	72%	0.717	S	S	*	*			trans	-118.2	91.2	158.1	-56.7	176.5	0	0	0	104.3	L107	L107-I109 HydrophobicContact CB-CG1 4.42Å; L107-I109 HydrophobicContact CD1-CD1 4.49Å; L107-I109 HydrophobicContact CD2-CD1 4.29Å; L107-I109 HydrophobicContact CD2-CG1 4.48Å; L107-I109 PolarHBondContact O-N 2.82Å
110	R	23	Very low	25.4	Very low	156 Å²	156	139.5 Å²	139.5	59%	0.589	71%	0.713	S	S	*	*				66.1	142	74.7	-67	-168	168.9	-160.2	-4.1	113.4	N78 G112	N78-R110 VanDerWaalsContact CG-NH2 3.25Å; N78-R110 PolarHBondContact ND2-NH1 3.5Å; N78-R110 VanDerWaalsContact ND2-NH1 3.13Å; N78-R110 PolarHBondContact OD1-NH2 2.78Å; R110-G112 PolarHBondContact O-N 2.74Å; R110-G112 VanDerWaalsContact O-N 3.14Å
111	E	25.9	Very low	25.6	Very low	192 Å²	192	134.2 Å²	134.2	90%	0.897	69%	0.69	S	S	*	*			trans	-58.4	110	-171	-58.2	174.1	132	0	0	112.3
112	G	22.6	Very low	25.6	Very low	63 Å²	63	131 Å²	131	65%	0.649	67%	0.674	S	S	*	*			trans	-141.8	96.9	166.1	0	0	0	0	0	106.9	R110	R110-G112 PolarHBondContact O-N 2.74Å; R110-G112 VanDerWaalsContact O-N 3.14Å
113	F	23.7	Very low	25.6	Very low	199 Å²	199	128.9 Å²	128.9	87%	0.873	67%	0.67	S	S	*	*				59.8	119	87.1	-77.6	-76.9	0	0	0	112.3
114	G	23.7	Very low	25.7	Very low	45 Å²	45	126.3 Å²	126.3	46%	0.464	66%	0.655	S	S	.	*			trans	132.6	62.9	-158	0	0	0	0	0	108.8	D118	G114-D118 VanDerWaalsContact CA-CG 3.48Å; G114-D118 WeakPolarHBondContact CA-OD2 3.42Å
115	A	23.6	Very low	25.9	Very low	69 Å²	69	121.5 Å²	121.5	57%	0.57	63%	0.632	S	S	*	*				59.7	140.1	57.2	0	0	0	0	0	112	E117 D118	A115-E117 PolarHBondContact O-N 2.76Å; A115-D118 PolarHBondContact O-N 3.27Å
116	E	27.8	Very low	26.1	Very low	207 Å²	207	118.7 Å²	118.7	97%	0.967	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	20.7	-170.9	-142.1	165.7	167.4	0	0	113.3
117	E	28.7	Very low	26.5	Very low	141 Å²	141	116.4 Å²	116.4	66%	0.659	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	-16	-165.6	-63.8	169.4	-134.1	0	0	112	A115 Y119	A115-E117 PolarHBondContact O-N 2.76Å; E117-Y119 PolarHBondContact O-N 3.44Å
118	D	26.6	Very low	26.6	Very low	102 Å²	102	115.2 Å²	115.2	55%	0.545	60%	0.598	S	S	.	*			trans	-77.8	34.8	-171.1	-95	29.3	0	0	0	114.8	G114 A115 I120	G114-D118 VanDerWaalsContact CA-CG 3.48Å; G114-D118 WeakPolarHBondContact CA-OD2 3.42Å; A115-D118 PolarHBondContact O-N 3.27Å; D118-I120 PolarHBondContact O-N 3.4Å
119	Y	27.2	Very low	26.7	Very low	232 Å²	232	111.2 Å²	111.2	91%	0.91	58%	0.578	S	S	*	*			trans	-78.1	66.4	176.8	-128.2	-81.1	0	0	0	111.5	E117	E117-Y119 PolarHBondContact O-N 3.44Å
120	I	27.1	Very low	26.8	Very low	120 Å²	120	116 Å²	116	62%	0.615	59%	0.588	S	S	*	*			trans	-93.2	108.5	-174.9	-55.8	-177.7	0	0	0	111.6	D118 S123	D118-I120 PolarHBondContact O-N 3.4Å; I120-S123 PolarHBondContact O-OG 2.88Å; I120-S123 VanDerWaalsContact O-OG 3.11Å
121	D	29.9	Very low	26.8	Very low	42 Å²	42	118.1 Å²	118.1	23%	0.225	60%	0.596	C	S	.	*	T	Hydrogen-bonded Turn	trans	-48.4	149.5	165.8	-86.2	-66.6	0	0	0	112.3	G140 N141	D121-G140 WeakPolarHBondContact OD1-CA 3.45Å; D121-G140 PolarHBondContact OD1-N 3.31Å; D121-N141 PolarHBondContact OD1-N 2.84Å; D121-N141 WeakPolarHBondContact OD2-CB 3.2Å; D121-N141 PolarHBondContact OD2-ND2 3.3Å
122	N	28.6	Very low	26.7	Very low	77 Å²	77	114.2 Å²	114.2	41%	0.412	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	76.2	19.2	175.4	-38.6	-82.4	0	0	0	116.5	L137 Y145	N122-L137 WeakPolarHBondContact O-CD2 3.39Å; N122-Y145 PolarHBondContact ND2-OH 2.78Å
123	S	26.9	Very low	26.9	Very low	62 Å²	62	116.1 Å²	116.1	43%	0.434	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-82.3	148.8	173.5	43.2	0	0	0	0	113.1	I120 S138	I120-S123 PolarHBondContact O-OG 2.88Å; I120-S123 VanDerWaalsContact O-OG 3.11Å; S123-S138 PolarHBondContact O-N 2.86Å
124	C	28.2	Very low	27.1	Very low	70 Å²	70	107.1 Å²	107.1	47%	0.473	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.2	179.2	-69.4	0	0	0	0	111.1	W135 F136	C124-W135 HydrophobicContact CB-CB 4.3Å; C124-W135 HydrophobicContact CB-CE3 4.03Å; C124-F136 CarbonylContact C-O 3.49Å; C124-F136 VanDerWaalsContact CA-O 3.29Å; C124-F136 WeakPolarHBondContact CA-O 3.44Å
125	V	29.3	Very low	27.5	Very low	73 Å²	73	112.2 Å²	112.2	44%	0.442	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.6	176.8	-178.3	0	0	0	0	110.1	W135 F136	V125-W135 CarbonylContact O-C 3.58Å; V125-W135 WeakPolarHBondContact O-CA 3.39Å; V125-F136 HydrophobicContact CB-CD1 3.77Å; V125-F136 HydrophobicContact CB-CE1 3.84Å; V125-F136 HydrophobicContact CG2-CD1 4.35Å; V125-F136 HydrophobicContact CG2-CE1 3.94Å; V125-F136 PolarHBondContact N-O 2.99Å; V125-F136 PolarHBondContact O-N 2.61Å
126	P	28.1	Very low	28	Very low	73 Å²	73	113.3 Å²	113.3	47%	0.474	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	151.7	-179.3	29.9	-33.5	0	0	0	112.6	G134 W135	P126-G134 CarbonylContact C-O 3.59Å; P126-G134 VanDerWaalsContact CA-O 3.26Å; P126-G134 WeakPolarHBondContact CA-O 3.19Å; P126-W135 HydrophobicContact CB-CD2 3.88Å; P126-W135 HydrophobicContact CB-CE3 3.73Å; P126-W135 HydrophobicContact CB-CH2 4.14Å; P126-W135 HydrophobicContact CB-CZ2 4.27Å; P126-W135 HydrophobicContact CB-CZ3 3.87Å; P126-W135 HydrophobicContact CG-CE3 4.11Å; P126-W135 HydrophobicContact CG-CH2 4.3Å; P126-W135 HydrophobicContact CG-CZ3 3.88Å
127	Y	32.3	Very low	28.1	Very low	72 Å²	72	108.2 Å²	108.2	28%	0.282	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	159	169.4	74.9	-78.9	0	0	0	110.8	F129 V133 G134 V181 H182	Y127-F129 HydrophobicContact CE2-CB 4.48Å; Y127-V133 WeakPolarHBondContact O-CA 3.33Å; Y127-G134 VanDerWaalsContact CD1-C 3.44Å; Y127-G134 VanDerWaalsContact CE1-C 3.47Å; Y127-G134 PolarHBondContact N-O 3.4Å; Y127-G134 PolarHBondContact O-N 2.86Å; Y127-V181 PolarHBondContact OH-O 2.82Å; Y127-H182 AromaticContact CD1-NE2 3.97Å; Y127-H182 AromaticContact CE1-CE1 3.58Å; Y127-H182 AromaticContact CE1-NE2 3.21Å; Y127-H182 WeakPolarHBondContact CE1-NE2 3.38Å; Y127-H182 AromaticContact CZ-CE1 3.9Å
128	M	25.2	Very low	28.3	Very low	129 Å²	129	103.8 Å²	103.8	64%	0.635	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	143.3	171.6	-88.9	-172.1	-71.4	0	0	111	Y132 V133	M128-Y132 VanDerWaalsContact CA-O 3.29Å; M128-Y132 WeakPolarHBondContact CA-O 3.26Å; M128-V133 HydrophobicContact CG-CB 4.41Å; M128-V133 HydrophobicContact CG-CG1 4.48Å; M128-V133 HydrophobicContact CG-CG2 3.84Å; M128-V133 HydrophobicContact SD-CG2 4.23Å
129	F	25.3	Very low	28.5	Very low	78 Å²	78	105.7 Å²	105.7	34%	0.342	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	114.4	168.6	-151.9	-91.7	0	0	0	110.2	Y127 R131 Y132 E185	Y127-F129 HydrophobicContact CE2-CB 4.48Å; F129-R131 PolarHBondContact O-N 2.81Å; F129-Y132 PolarHBondContact N-O 3.23Å; F129-Y132 WeakPolarHBondContact O-CB 3.5Å; F129-Y132 PolarHBondContact O-N 3.16Å; F129-E185 VanDerWaalsContact CD1-CD 3.49Å; F129-E185 WeakPolarHBondContact CD1-OE1 3.23Å; F129-E185 VanDerWaalsContact CD1-OE2 3.27Å; F129-E185 WeakPolarHBondContact CD1-OE2 3.41Å; F129-E185 WeakPolarHBondContact CE1-OE1 3.32Å; F129-E185 WeakPolarHBondContact CG-OE2 3.12Å
130	R	28.3	Very low	28.7	Very low	233 Å²	233	97.2 Å²	97.2	88%	0.879	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	-115.6	-169.5	-67	-177.1	162.4	-162.1	-8.4	112.1
131	R	23.7	Very low	29.1	Very low	202 Å²	202	95.1 Å²	95.1	76%	0.762	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	5.2	179.2	-65.7	-171.2	-179.9	-169	0.2	113.4	F129 D892	F129-R131 PolarHBondContact O-N 2.81Å; R131-D892 IonicContact CZ-OD2 3.59Å; R131-D892 IonicContact NH1-OD2 2.79Å; R131-D892 PolarHBondContact NH1-OD2 2.77Å; R131-D892 IonicContact NH2-OD2 3.89Å; R131-D892 PolarHBondContact NH2-OD2 2.9Å
132	Y	25	Very low	29.3	Very low	109 Å²	109	101.8 Å²	101.8	43%	0.427	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.8	-178.9	-64.2	-79	0	0	0	113.1	M128 F129 Y166	M128-Y132 VanDerWaalsContact CA-O 3.29Å; M128-Y132 WeakPolarHBondContact CA-O 3.26Å; F129-Y132 PolarHBondContact N-O 3.23Å; F129-Y132 WeakPolarHBondContact O-CB 3.5Å; F129-Y132 PolarHBondContact O-N 3.16Å; Y132-Y166 HydrophobicContact CE1-CE1 4.46Å
133	V	26.4	Very low	29.7	Very low	103 Å²	103	106 Å²	106	62%	0.624	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.9	165.6	-173	0	0	0	0	108.1	Y127 M128	Y127-V133 WeakPolarHBondContact O-CA 3.33Å; M128-V133 HydrophobicContact CG-CB 4.41Å; M128-V133 HydrophobicContact CG-CG1 4.48Å; M128-V133 HydrophobicContact CG-CG2 3.84Å; M128-V133 HydrophobicContact SD-CG2 4.23Å
134	G	28.1	Very low	30	Very low	11 Å²	11	110.6 Å²	110.6	11%	0.113	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	176.2	178.7	0	0	0	0	0	112.2	P126 Y127	P126-G134 CarbonylContact C-O 3.59Å; P126-G134 VanDerWaalsContact CA-O 3.26Å; P126-G134 WeakPolarHBondContact CA-O 3.19Å; Y127-G134 VanDerWaalsContact CD1-C 3.44Å; Y127-G134 VanDerWaalsContact CE1-C 3.47Å; Y127-G134 PolarHBondContact N-O 3.4Å; Y127-G134 PolarHBondContact O-N 2.86Å
135	W	32.2	Very low	30.2	Very low	151 Å²	151	113.8 Å²	113.8	57%	0.572	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	133.3	178.2	-56.4	73.9	0	0	0	110.1	C124 V125 P126 H182	C124-W135 HydrophobicContact CB-CB 4.3Å; C124-W135 HydrophobicContact CB-CE3 4.03Å; V125-W135 CarbonylContact O-C 3.58Å; V125-W135 WeakPolarHBondContact O-CA 3.39Å; P126-W135 HydrophobicContact CB-CD2 3.88Å; P126-W135 HydrophobicContact CB-CE3 3.73Å; P126-W135 HydrophobicContact CB-CH2 4.14Å; P126-W135 HydrophobicContact CB-CZ2 4.27Å; P126-W135 HydrophobicContact CB-CZ3 3.87Å; P126-W135 HydrophobicContact CG-CE3 4.11Å; P126-W135 HydrophobicContact CG-CH2 4.3Å; P126-W135 HydrophobicContact CG-CZ3 3.88Å; W135-H182 PolarHBondContact O-CD2 3.49Å; W135-H182 PolarHBondContact O-NE2 2.92Å
136	F	32.1	Very low	30.2	Very low	93 Å²	93	116 Å²	116	41%	0.408	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104	142.8	175	116	-95.3	0	0	0	111.1	C124 V125 H182	C124-F136 CarbonylContact C-O 3.49Å; C124-F136 VanDerWaalsContact CA-O 3.29Å; C124-F136 WeakPolarHBondContact CA-O 3.44Å; V125-F136 HydrophobicContact CB-CD1 3.77Å; V125-F136 HydrophobicContact CB-CE1 3.84Å; V125-F136 HydrophobicContact CG2-CD1 4.35Å; V125-F136 HydrophobicContact CG2-CE1 3.94Å; V125-F136 PolarHBondContact N-O 2.99Å; V125-F136 PolarHBondContact O-N 2.61Å; F136-H182 WeakPolarHBondContact CA-NE2 3.39Å; F136-H182 WeakPolarHBondContact CB-NE2 3.39Å; F136-H182 PolarHBondContact N-NE2 2.82Å
137	L	30.7	Very low	30.2	Very low	99 Å²	99	114.8 Å²	114.8	52%	0.518	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.1	123.7	177.8	-108.2	163.3	0	0	0	111	N122	N122-L137 WeakPolarHBondContact O-CD2 3.39Å
138	S	32.7	Very low	30.2	Very low	49 Å²	49	118.4 Å²	118.4	34%	0.343	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-82.9	118	175.8	-164.5	0	0	0	0	111.8	S123	S123-S138 PolarHBondContact O-N 2.86Å
139	L	32	Very low	30.5	Very low	142 Å²	142	121.7 Å²	121.7	74%	0.743	59%	0.594	S	S	*	*			trans	-103.4	76	177	-67.7	174.4	0	0	0	110.2
140	G	31.2	Very low	30.6	Very low	54 Å²	54	127.3 Å²	127.3	56%	0.557	62%	0.618	S	S	*	*			trans	-71.1	-59.6	-179.9	0	0	0	0	0	112.7	D121 K142	D121-G140 WeakPolarHBondContact OD1-CA 3.45Å; D121-G140 PolarHBondContact OD1-N 3.31Å; G140-K142 PolarHBondContact O-N 3.17Å
141	N	35	Very low	30.8	Very low	75 Å²	75	124.5 Å²	124.5	40%	0.401	61%	0.612	S	S	.	*			trans	-82.6	97.3	-176.3	-102	-65.9	0	0	0	114.1	D121 E143 K144	D121-N141 PolarHBondContact OD1-N 2.84Å; D121-N141 WeakPolarHBondContact OD2-CB 3.2Å; D121-N141 PolarHBondContact OD2-ND2 3.3Å; N141-E143 VanDerWaalsContact C-N 3.33Å; N141-E143 PolarHBondContact O-N 3.41Å; N141-K144 HydrophobicContact CB-CB 4.13Å
142	K	33.5	Very low	31	Very low	183 Å²	183	122.4 Å²	122.4	80%	0.796	61%	0.609	S	S	*	*	S	Bend	trans	-68.6	-25.9	173.3	-74.1	179.8	178.6	173.2	0	114.2	G140	G140-K142 PolarHBondContact O-N 3.17Å
143	E	37.5	Very low	31.2	Very low	164 Å²	164	122.8 Å²	122.8	77%	0.766	62%	0.618	S	S	*	*	S	Bend	trans	-89.3	-37.9	-170.8	-61.7	-177.1	175	0	0	113.4	N141 Y145 S146	N141-E143 VanDerWaalsContact C-N 3.33Å; N141-E143 PolarHBondContact O-N 3.41Å; E143-Y145 PolarHBondContact O-N 2.89Å; E143-S146 PolarHBondContact O-N 3.17Å
144	K	34.1	Very low	31.2	Very low	159 Å²	159	123.9 Å²	123.9	69%	0.691	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-12.5	-172.3	-156.1	169.4	-174.8	175	0	114.6	N141	N141-K144 HydrophobicContact CB-CB 4.13Å
145	Y	32.3	Very low	31.1	Very low	137 Å²	137	128.3 Å²	128.3	54%	0.537	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.7	34.5	178.9	-61	-75.7	0	0	0	113	N122 E143 G147	N122-Y145 PolarHBondContact ND2-OH 2.78Å; E143-Y145 PolarHBondContact O-N 2.89Å; Y145-G147 VanDerWaalsContact C-N 3.33Å; Y145-G147 PolarHBondContact O-N 3.36Å
146	S	28.1	Very low	30.9	Very low	119 Å²	119	126.7 Å²	126.7	83%	0.832	65%	0.653	S	S	*	*			trans	-65.3	86	165.3	-169.3	0	0	0	0	111.2	E143	E143-S146 PolarHBondContact O-N 3.17Å
147	G	29.3	Very low	30.7	Very low	48 Å²	48	131.2 Å²	131.2	50%	0.495	67%	0.668	S	S	.	*			trans	-168.9	124.1	177.3	0	0	0	0	0	114.2	Y145 K149	Y145-G147 VanDerWaalsContact C-N 3.33Å; Y145-G147 PolarHBondContact O-N 3.36Å; G147-K149 PolarHBondContact O-N 2.88Å
148	D	31.9	Very low	30.6	Very low	148 Å²	148	133.1 Å²	133.1	79%	0.791	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-5.9	-167.7	-75.9	-62.7	0	0	0	117.5
149	K	30.5	Very low	30.2	Very low	199 Å²	199	134.3 Å²	134.3	87%	0.865	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-21	-174	-72.2	179.3	178.8	172.6	0	114.6	G147	G147-K149 PolarHBondContact O-N 2.88Å
150	F	27.7	Very low	30	Very low	195 Å²	195	131.6 Å²	131.6	86%	0.855	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	-33.8	-178.8	-104.7	-95.1	0	0	0	114.8	K152	F150-K152 PolarHBondContact O-N 2.95Å
151	K	31.7	Very low	29.7	Very low	175 Å²	175	135.8 Å²	135.8	76%	0.761	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	17.3	-179.2	-80.6	-177.8	175.2	173.5	0	115.6	R204	K151-R204 PolarHBondContact O-NH2 2.85Å
152	K	29.7	Very low	29.3	Very low	158 Å²	158	137.1 Å²	137.1	69%	0.687	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	-2.5	-164.1	-136.3	171.1	-174.2	172	0	117	F150	F150-K152 PolarHBondContact O-N 2.95Å
153	N	28.4	Very low	29	Very low	117 Å²	117	135 Å²	135	63%	0.626	71%	0.712	S	S	*	*	S	Bend	trans	-122.3	-2.5	-163.8	-120.2	46.2	0	0	0	117.9
154	C	25.7	Very low	28.5	Very low	125 Å²	125	136.7 Å²	136.7	85%	0.845	72%	0.72	S	S	*	*	S	Bend	trans	-118.5	19.1	-168.2	-57.1	0	0	0	0	115.9
155	T	27.6	Very low	28.3	Very low	104 Å²	104	137.5 Å²	137.5	64%	0.638	73%	0.726	S	S	*	*	S	Bend	trans	-136.1	14.9	-163	40.7	0	0	0	0	116.9
156	E	27.7	Very low	28.2	Very low	118 Å²	118	138.8 Å²	138.8	55%	0.551	73%	0.731	S	S	*	*	S	Bend	trans	-145.5	15.8	-166.2	-129.8	166.3	-134.8	0	0	118.4
157	Y	28.3	Very low	28.4	Very low	188 Å²	188	136.1 Å²	136.1	74%	0.737	71%	0.711	S	S	*	*			trans	-132.1	121.8	174.2	-70.8	-80.9	0	0	0	113.1
158	V	28	Very low	28.7	Very low	139 Å²	139	136.3 Å²	136.3	84%	0.842	70%	0.702	S	S	*	*			trans	-73.2	135.8	-175.1	176.2	0	0	0	0	111.5	A160	V158-A160 PolarHBondContact O-N 2.9Å
159	C	24.9	Very low	28.8	Very low	74 Å²	74	131.9 Å²	131.9	50%	0.5	68%	0.682	S	S	.	*			trans	-79.9	107	166.5	-66.8	0	0	0	0	109.4	P167	C159-P167 HydrophobicContact CB-CB 3.79Å; C159-P167 HydrophobicContact CB-CG 4.46Å
160	A	26.6	Very low	29	Very low	84 Å²	84	127.5 Å²	127.5	69%	0.694	67%	0.674	S	S	*	*			trans	-90.2	138.5	175.1	0	0	0	0	0	110.9	V158	V158-A160 PolarHBondContact O-N 2.9Å
161	V	25.5	Very low	29.5	Very low	142 Å²	142	122.1 Å²	122.1	86%	0.861	66%	0.657	S	S	*	*			trans	-79.1	121.1	173	178.9	0	0	0	0	109.1
162	V	26	Very low	29.7	Very low	104 Å²	104	125.1 Å²	125.1	63%	0.63	66%	0.664	S	S	*	*			trans	-142.9	124.1	167.5	-177	0	0	0	0	107.6
163	N	26.9	Very low	30	Very low	138 Å²	138	121.4 Å²	121.4	74%	0.738	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.8	65.5	169.7	-57.3	4.3	0	0	0	115.5	Q165	N163-Q165 VanDerWaalsContact C-N 3.27Å; N163-Q165 PolarHBondContact O-N 3.3Å
164	E	27.4	Very low	30.5	Very low	200 Å²	200	117.8 Å²	117.8	94%	0.935	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.3	19.3	153.6	-54.8	-178.5	152.4	0	0	117.5
165	Q	29.4	Very low	31	Very low	176 Å²	176	121.3 Å²	121.3	82%	0.822	66%	0.656	S	S	*	*			trans	-125.5	143.1	180	-66.2	-173.4	1.9	0	0	113.7	N163	N163-Q165 VanDerWaalsContact C-N 3.27Å; N163-Q165 PolarHBondContact O-N 3.3Å
166	Y	30.4	Very low	31.5	Very low	164 Å²	164	117.9 Å²	117.9	64%	0.643	64%	0.636	S	S	*	*			trans	-66.5	144.6	-171.8	-69	-91.7	0	0	0	113.9	Y132	Y132-Y166 HydrophobicContact CE1-CE1 4.46Å
167	P	32.9	Very low	31.9	Very low	63 Å²	63	122.3 Å²	122.3	41%	0.409	65%	0.654	S	S	.	*			trans	-71.2	133.3	-179.9	28.3	-34.4	0	0	0	113.1	C159 C180	C159-P167 HydrophobicContact CB-CB 3.79Å; C159-P167 HydrophobicContact CB-CG 4.46Å; P167-C180 PolarHBondContact O-N 3.14Å; P167-C180 VanDerWaalsContact O-N 3.15Å; P167-C180 PolarHBondContact O-SG 3.04Å
168	T	36.4	Very low	32	Very low	52 Å²	52	118.2 Å²	118.2	32%	0.319	65%	0.648	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.3	133.3	175.2	43.8	0	0	0	0	111.2	C180	T168-C180 VanDerWaalsContact C-SG 3.57Å
169	C	32.8	Very low	32.1	Very low	55 Å²	55	114.6 Å²	114.6	37%	0.372	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.9	126.9	-169.5	-75.2	0	0	0	0	110.3	S176 C180	C169-S176 WeakPolarHBondContact O-CB 3.45Å; C169-S176 PolarHBondContact O-N 3.22Å; C169-C180 WeakPolarHBondContact CA-SG 3.37Å; C169-C180 WeakPolarHBondContact CB-SG 3.23Å; C169-C180 PolarHBondContact N-SG 3.46Å; C169-C180 WeakPolarHBondContact SG-CB 3.5Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 3.45Å
170	P	34.4	Very low	32.1	Very low	106 Å²	106	113.1 Å²	113.1	69%	0.688	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.2	128	-179.3	29.4	-33.6	0	0	0	111.5
171	T	39.7	Very low	32	Very low	82 Å²	82	112 Å²	112	50%	0.503	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	168.8	174.7	83	0	0	0	0	110.7	G173 G174	T171-G173 PolarHBondContact O-N 2.84Å; T171-G173 VanDerWaalsContact O-N 3.11Å; T171-G173 PolarHBondContact OG1-N 2.82Å; T171-G174 CarbonylContact C-O 3.6Å; T171-G174 WeakPolarHBondContact CA-O 3.2Å; T171-G174 WeakPolarHBondContact CB-O 3.43Å; T171-G174 PolarHBondContact N-O 3.48Å; T171-G174 PolarHBondContact O-N 2.93Å; T171-G174 PolarHBondContact OG1-N 3.21Å; T171-G174 PolarHBondContact OG1-O 3.21Å
172	R	35.8	Very low	32	Very low	238 Å²	238	110.5 Å²	110.5	90%	0.898	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-6.8	178.4	-141.9	176.9	-169.7	174.2	2.6	114.2
173	G	35.9	Very low	32.1	Very low	80 Å²	80	113.8 Å²	113.8	83%	0.825	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	13.3	175.4	0	0	0	0	0	114.5	T171	T171-G173 PolarHBondContact O-N 2.84Å; T171-G173 VanDerWaalsContact O-N 3.11Å; T171-G173 PolarHBondContact OG1-N 2.82Å
174	G	38.5	Very low	32	Very low	41 Å²	41	111.9 Å²	111.9	42%	0.423	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	127.3	180	-176.9	0	0	0	0	0	113	T171	T171-G174 CarbonylContact C-O 3.6Å; T171-G174 WeakPolarHBondContact CA-O 3.2Å; T171-G174 WeakPolarHBondContact CB-O 3.43Å; T171-G174 PolarHBondContact N-O 3.48Å; T171-G174 PolarHBondContact O-N 2.93Å; T171-G174 PolarHBondContact OG1-N 3.21Å; T171-G174 PolarHBondContact OG1-O 3.21Å
175	R	36.1	Very low	31.9	Very low	200 Å²	200	108.7 Å²	108.7	76%	0.755	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-67.6	138.7	173.2	-69.6	-173.8	-176.3	176.1	0.9	110.4
176	S	37.4	Very low	31.6	Very low	31 Å²	31	106 Å²	106	22%	0.217	56%	0.56	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-58.2	135.3	167.9	178.6	0	0	0	0	110.3	C169 V178	C169-S176 WeakPolarHBondContact O-CB 3.45Å; C169-S176 PolarHBondContact O-N 3.22Å; S176-V178 WeakPolarHBondContact OG-CB 3.36Å; S176-V178 PolarHBondContact OG-N 3.1Å; S176-V178 PolarHBondContact OG-O 2.84Å
177	K	35.7	Very low	31.6	Very low	212 Å²	212	104.6 Å²	104.6	92%	0.922	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.7	-12.6	165.8	-70.7	-170.1	177.1	-175.2	0	112.7
178	V	31.6	Very low	31.1	Very low	101 Å²	101	110.3 Å²	110.3	61%	0.612	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.5	126.1	175.6	-170.4	0	0	0	0	108.6	S176	S176-V178 WeakPolarHBondContact OG-CB 3.36Å; S176-V178 PolarHBondContact OG-N 3.1Å; S176-V178 PolarHBondContact OG-O 2.84Å
179	P	29.2	Very low	30.6	Very low	63 Å²	63	118.1 Å²	118.1	41%	0.409	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.5	154.3	177.1	31.3	-36.4	0	0	0	110.9	V181	P179-V181 HydrophobicContact CB-CG2 4.08Å; P179-V181 HydrophobicContact CG-CG2 4.07Å; P179-V181 PolarHBondContact O-N 3.47Å
180	C	25.9	Very low	30.3	Very low	44 Å²	44	123.9 Å²	123.9	30%	0.297	62%	0.624	S	S	.	*			trans	-78.4	52	-175.1	-48.5	0	0	0	0	113	P167 T168 C169 H182	P167-C180 PolarHBondContact O-N 3.14Å; P167-C180 VanDerWaalsContact O-N 3.15Å; P167-C180 PolarHBondContact O-SG 3.04Å; T168-C180 VanDerWaalsContact C-SG 3.57Å; C169-C180 WeakPolarHBondContact CA-SG 3.37Å; C169-C180 WeakPolarHBondContact CB-SG 3.23Å; C169-C180 PolarHBondContact N-SG 3.46Å; C169-C180 WeakPolarHBondContact SG-CB 3.5Å; C169-C180 CovalentContact SG-SG 2.05Å; C169-C180 PolarHBondContact SG-SG 3.45Å; C180-H182 PolarHBondContact O-N 3.39Å
181	V	25	Very low	29.8	Very low	60 Å²	60	124.3 Å²	124.3	36%	0.364	63%	0.629	S	S	.	*			trans	-94	68.3	-177.9	-168.6	0	0	0	0	110.6	Y127 P179	Y127-V181 PolarHBondContact OH-O 2.82Å; P179-V181 HydrophobicContact CB-CG2 4.08Å; P179-V181 HydrophobicContact CG-CG2 4.07Å; P179-V181 PolarHBondContact O-N 3.47Å
182	H	25.8	Very low	29.1	Very low	111 Å²	111	126.5 Å²	126.5	51%	0.514	64%	0.637	S	S	.	*	S	Bend	trans	-158.7	98.7	165.7	-108.9	-61.7	0	0	0	106.5	Y127 W135 F136 C180	Y127-H182 AromaticContact CD1-NE2 3.97Å; Y127-H182 AromaticContact CE1-CE1 3.58Å; Y127-H182 AromaticContact CE1-NE2 3.21Å; Y127-H182 WeakPolarHBondContact CE1-NE2 3.38Å; Y127-H182 AromaticContact CZ-CE1 3.9Å; W135-H182 PolarHBondContact O-CD2 3.49Å; W135-H182 PolarHBondContact O-NE2 2.92Å; F136-H182 WeakPolarHBondContact CA-NE2 3.39Å; F136-H182 WeakPolarHBondContact CB-NE2 3.39Å; F136-H182 PolarHBondContact N-NE2 2.82Å; C180-H182 PolarHBondContact O-N 3.39Å
183	F	26.5	Very low	28.7	Very low	173 Å²	173	120.5 Å²	120.5	76%	0.759	63%	0.629	S	S	*	*	S	Bend	trans	172.7	-15.7	154.2	-98.6	-60.3	0	0	0	113.6	Y187	F183-Y187 WeakPolarHBondContact O-CD2 3.38Å; F183-Y187 WeakPolarHBondContact O-CE2 3.5Å
184	C	25.1	Very low	28.2	Very low	97 Å²	97	122.8 Å²	122.8	66%	0.655	62%	0.623	S	S	*	*			trans	-110.6	9.5	-160	-63.8	0	0	0	0	119.6	H186 Y187	C184-H186 PolarHBondContact O-N 3.3Å; C184-Y187 PolarHBondContact O-N 2.81Å
185	E	25.1	Very low	27.6	Very low	133 Å²	133	129.7 Å²	129.7	62%	0.621	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	27.3	175.8	-69.6	-169.9	132.5	0	0	114.5	F129	F129-E185 VanDerWaalsContact CD1-CD 3.49Å; F129-E185 WeakPolarHBondContact CD1-OE1 3.23Å; F129-E185 VanDerWaalsContact CD1-OE2 3.27Å; F129-E185 WeakPolarHBondContact CD1-OE2 3.41Å; F129-E185 WeakPolarHBondContact CE1-OE1 3.32Å; F129-E185 WeakPolarHBondContact CG-OE2 3.12Å
186	H	24.5	Very low	27.1	Very low	120 Å²	120	126.9 Å²	126.9	56%	0.556	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.8	20.1	161.3	-128.9	-133.9	0	0	0	110.9	C184 D277 K343	C184-H186 PolarHBondContact O-N 3.3Å; H186-D277 IonicContact CE1-OD1 3.46Å; H186-D277 IonicContact CE1-OD2 3.67Å; H186-D277 PolarHBondContact CE1-OD2 2.89Å; H186-K343 PolarHBondContact CE1-NZ 2.91Å; H186-K343 PolarHBondContact NE2-NZ 3.33Å
187	Y	29	Very low	26.5	Very low	134 Å²	134	134 Å²	134	53%	0.525	67%	0.667	S	S	.	*			trans	-136.2	94	-166.2	-68.2	-105.1	0	0	0	112.4	F183 C184 W189	F183-Y187 WeakPolarHBondContact O-CD2 3.38Å; F183-Y187 WeakPolarHBondContact O-CE2 3.5Å; C184-Y187 PolarHBondContact O-N 2.81Å; Y187-W189 VanDerWaalsContact C-N 3.25Å; Y187-W189 PolarHBondContact O-N 3.45Å; Y187-W189 VanDerWaalsContact O-N 3.11Å
188	H	23.5	Very low	26	Very low	184 Å²	184	128.6 Å²	128.6	85%	0.852	65%	0.648	S	S	*	*			trans	-83.1	68.7	164.6	-81.4	-126.6	0	0	0	110.6
189	W	26.1	Very low	25.6	Very low	215 Å²	215	131.3 Å²	131.3	81%	0.814	65%	0.652	S	S	*	*			trans	-131.5	96.7	172.8	-75.6	73.4	0	0	0	110	Y187	Y187-W189 VanDerWaalsContact C-N 3.25Å; Y187-W189 PolarHBondContact O-N 3.45Å; Y187-W189 VanDerWaalsContact O-N 3.11Å
190	I	25	Very low	25.4	Very low	176 Å²	176	137 Å²	137	90%	0.903	67%	0.665	S	S	*	*			trans	-99.1	135.1	168.2	-62.9	179.5	0	0	0	107.9
191	C	23.5	Very low	25.4	Very low	115 Å²	115	140.1 Å²	140.1	78%	0.777	68%	0.679	S	S	*	*			trans	-87.2	157.2	-176	-59.7	0	0	0	0	112.3
192	D	26.7	Very low	25.4	Very low	129 Å²	129	148.2 Å²	148.2	69%	0.69	70%	0.704	S	S	*	*			trans	-132.1	135.8	141.6	-172	71.4	0	0	0	109.6	N194	D192-N194 PolarHBondContact O-N 2.87Å; D192-N194 PolarHBondContact OD2-ND2 3.24Å
193	P	26.4	Very low	25.5	Very low	111 Å²	111	152.4 Å²	152.4	72%	0.721	72%	0.716	S	S	*	*			trans	-106.6	27.4	-145.9	41.1	-36.9	0	0	0	115.3	K195	P193-K195 PolarHBondContact O-N 2.87Å
194	N	24.9	Very low	25.5	Very low	129 Å²	129	150.8 Å²	150.8	69%	0.69	71%	0.705	S	S	*	*			trans	-82	-3.4	-151.7	-96.8	-65.3	0	0	0	119.4	D192	D192-N194 PolarHBondContact O-N 2.87Å; D192-N194 PolarHBondContact OD2-ND2 3.24Å
195	K	26.9	Very low	25.6	Very low	186 Å²	186	154.7 Å²	154.7	81%	0.809	71%	0.707	S	S	*	*	S	Bend	trans	-141.6	108.3	-177	-70.5	-169	178.4	177.4	0	117.5	P193	P193-K195 PolarHBondContact O-N 2.87Å
196	L	25.1	Very low	25.6	Very low	141 Å²	141	155.6 Å²	155.6	74%	0.738	71%	0.709	S	S	*	*			trans	51.4	114.2	148.3	-64.4	109.2	0	0	0	119
197	F	25	Very low	25.7	Very low	179 Å²	179	158.5 Å²	158.5	79%	0.785	72%	0.722	S	S	*	*				71.7	137.3	74.4	-66.6	-45.7	0	0	0	113.7
198	L	24.7	Very low	25.5	Very low	100 Å²	100	156.9 Å²	156.9	52%	0.524	72%	0.718	S	S	.	*			cis	-143.1	179.3	7.3	-121.3	167.9	0	0	0	113.8
199	K	23	Very low	25.6	Very low	158 Å²	158	154.3 Å²	154.3	69%	0.687	71%	0.71	S	S	*	*			trans	-65	168.4	177.9	-75.1	168.8	176.9	164.5	0	112.3
200	R	24.7	Very low	25.6	Very low	182 Å²	182	147.4 Å²	147.4	69%	0.687	69%	0.691	S	S	*	*			cis	-151.8	157	9.9	-140.1	167.5	-174.4	157.4	-4.1	109.3
201	D	26	Very low	25.7	Very low	110 Å²	110	146.4 Å²	146.4	59%	0.588	68%	0.683	S	S	*	*	S	Bend	trans	67.5	149.3	171	-42.8	-37.3	0	0	0	115.6
202	Y	26	Very low	25.9	Very low	229 Å²	229	148.9 Å²	148.9	90%	0.898	68%	0.683	S	S	*	*			trans	58.7	61.6	173	-56.7	-86.8	0	0	0	118.5
203	R	27.8	Very low	26	Very low	199 Å²	199	149.2 Å²	149.2	75%	0.751	68%	0.678	S	S	*	*			trans	-128.6	31.7	163.6	-72	-165.8	-179	-177	4.1	115.7
204	R	26.2	Very low	26	Very low	139 Å²	139	154.4 Å²	154.4	53%	0.525	68%	0.683	S	S	.	*			trans	-66.1	137.9	159.4	-62.7	-179.5	179.8	-163.4	-6.1	108.4	K151	K151-R204 PolarHBondContact O-NH2 2.85Å
205	Y	26.7	Very low	26.2	Very low	179 Å²	179	151.5 Å²	151.5	70%	0.702	68%	0.684	S	S	*	*			trans	65.4	91.4	178.8	-44.4	-78.7	0	0	0	117.3
206	K	26.8	Very low	26.3	Very low	152 Å²	152	149.5 Å²	149.5	66%	0.661	69%	0.688	S	S	*	*			trans	-138.3	119.9	136	-63.1	-169.8	179	-174.4	0	104.2
207	H	25.3	Very low	26.4	Very low	181 Å²	181	153.8 Å²	153.8	84%	0.838	69%	0.694	S	S	*	*	S	Bend		-134.7	28.7	61.2	-76.6	-93.6	0	0	0	116.1
208	F	24.9	Very low	26.5	Very low	101 Å²	101	149.9 Å²	149.9	44%	0.443	69%	0.685	S	S	.	*	S	Bend	trans	-124.9	141.4	170.8	-64.3	-67.4	0	0	0	111.8	F282 V293 Y295	F208-F282 HydrophobicContact CD2-CE1 4.41Å; F208-F282 HydrophobicContact CD2-CZ 4.29Å; F208-F282 HydrophobicContact CE1-CZ 4.12Å; F208-F282 HydrophobicContact CE2-CE1 4.25Å; F208-F282 AromaticContact CE2-CZ 3.71Å; F208-F282 HydrophobicContact CE2-CZ 3.71Å; F208-F282 HydrophobicContact CZ-CE1 4.48Å; F208-F282 AromaticContact CZ-CZ 3.63Å; F208-F282 HydrophobicContact CZ-CZ 3.63Å; F208-V293 HydrophobicContact CB-CG1 4Å; F208-V293 HydrophobicContact CD1-CG1 3.51Å; F208-V293 HydrophobicContact CE1-CG1 4.38Å; F208-V293 HydrophobicContact CG-CG1 3.98Å; F208-Y295 HydrophobicContact CD1-CE1 4.08Å; F208-Y295 HydrophobicContact CE1-CD1 4.21Å; F208-Y295 AromaticContact CE1-CE1 3.7Å; F208-Y295 HydrophobicContact CE1-CE1 3.7Å
209	L	25.7	Very low	26.5	Very low	129 Å²	129	147.9 Å²	147.9	68%	0.675	69%	0.688	S	S	*	*			trans	-74.7	120.6	172.1	-73.3	164.8	0	0	0	108.6
210	V	26.8	Very low	26.6	Very low	70 Å²	70	147.5 Å²	147.5	42%	0.424	69%	0.692	S	S	.	*			trans	-136.9	130.4	178.3	174.9	0	0	0	0	106.8	D291	V210-D291 WeakPolarHBondContact CG1-OD1 3.29Å
211	Q	26.9	Very low	26.6	Very low	156 Å²	156	149.3 Å²	149.3	73%	0.729	70%	0.701	S	S	*	*			trans	-90.3	123.9	-172.3	-168.9	174.7	9.8	0	0	109.8	F213	Q211-F213 PolarHBondContact O-N 3.3Å
212	H	28.4	Very low	26.6	Very low	167 Å²	167	149.6 Å²	149.6	77%	0.773	70%	0.702	S	S	*	*			trans	-75.9	118.9	-174.8	-157.9	-84.2	0	0	0	111.4	W214	H212-W214 PolarHBondContact O-N 2.82Å
213	F	27.8	Very low	26.5	Very low	135 Å²	135	148.1 Å²	148.1	59%	0.592	70%	0.7	S	S	*	*	S	Bend	trans	-63.4	3.9	-161.3	-163.3	-101.2	0	0	0	117.6	Q211	Q211-F213 PolarHBondContact O-N 3.3Å
214	W	27.3	Very low	26.5	Very low	220 Å²	220	145.3 Å²	145.3	83%	0.833	70%	0.696	S	S	*	*	S	Bend	trans	-149.1	100.6	178.5	-61.4	89.2	0	0	0	111.3	H212	H212-W214 PolarHBondContact O-N 2.82Å
215	G	28.7	Very low	26.5	Very low	68 Å²	68	144 Å²	144	70%	0.701	71%	0.708	S	S	*	*			trans	144.7	127.5	168	0	0	0	0	0	115.2	R217	G215-R217 VanDerWaalsContact C-N 3.25Å; G215-R217 PolarHBondContact O-N 3.36Å; G215-R217 VanDerWaalsContact O-N 3.08Å
216	T	28.7	Very low	26.4	Very low	145 Å²	145	142 Å²	142	89%	0.89	71%	0.714	S	S	*	*	S	Bend	trans	-83.9	40.7	-175.3	47.1	0	0	0	0	114.3
217	R	26.9	Very low	26.4	Very low	230 Å²	230	139.4 Å²	139.4	87%	0.868	72%	0.716	S	S	*	*			trans	-151	111.3	177.7	-67.2	-173.3	174.5	177	-3.8	111.4	G215	G215-R217 VanDerWaalsContact C-N 3.25Å; G215-R217 PolarHBondContact O-N 3.36Å; G215-R217 VanDerWaalsContact O-N 3.08Å
218	T	26.3	Very low	26.3	Very low	98 Å²	98	137.4 Å²	137.4	60%	0.601	72%	0.717	S	S	*	*			trans	-101.9	134	165.8	69.9	0	0	0	0	111.3	E244	T218-E244 VanDerWaalsContact CB-OE1 3.3Å; T218-E244 WeakPolarHBondContact CB-OE1 3.3Å; T218-E244 WeakPolarHBondContact CG2-OE1 3.3Å; T218-E244 PolarHBondContact N-OE1 2.89Å; T218-E244 PolarHBondContact OG1-OE1 3.37Å
219	G	25.1	Very low	26.4	Very low	57 Å²	57	139 Å²	139	59%	0.588	73%	0.728	S	S	*	*			trans	-169.8	130.8	-176.7	0	0	0	0	0	112.9
220	I	26	Very low	26.4	Very low	151 Å²	151	144.4 Å²	144.4	77%	0.774	74%	0.74	S	S	*	*			trans	-100.6	107.1	-176.7	-57.2	176.9	0	0	0	109.5
221	Y	24.3	Very low	26.5	Very low	219 Å²	219	150.8 Å²	150.8	86%	0.859	76%	0.758	S	S	*	*			trans	-89.2	134.6	173.5	-66	-91	0	0	0	111
222	N	25.4	Very low	26.6	Very low	117 Å²	117	155.1 Å²	155.1	63%	0.626	77%	0.767	S	S	*	*			trans	-118.8	125.2	168.5	-169.8	25.4	0	0	0	108.7
223	K	25.7	Very low	26.6	Very low	197 Å²	197	153.6 Å²	153.6	86%	0.857	78%	0.775	S	S	*	*			trans	-124.1	67.7	-171.6	-164.8	-168.3	177.1	-179.4	0	112.4
224	E	27.2	Very low	26.7	Very low	140 Å²	140	150 Å²	150	65%	0.654	78%	0.776	S	S	*	*			trans	-159.4	118.7	140.8	-114.3	158.3	-143.4	0	0	108.7
225	S	25.1	Very low	26.7	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	78%	0.78	S	S	*	*			trans	-123.7	121.8	-174.2	57.5	0	0	0	0	110.4
226	T	26.4	Very low	26.7	Very low	135 Å²	135	148.9 Å²	148.9	83%	0.828	78%	0.777	S	S	*	*			trans	-151.6	140.5	157.3	23.8	0	0	0	0	109.9
227	S	26	Very low	26.8	Very low	99 Å²	99	149.2 Å²	149.2	69%	0.692	78%	0.779	S	S	*	*			trans	46.5	88.4	168.4	52.4	0	0	0	0	117.7
228	T	23.8	Very low	26.8	Very low	139 Å²	139	143.7 Å²	143.7	85%	0.853	77%	0.77	S	S	*	*				69.3	78.8	79.5	67.4	0	0	0	0	116.6
229	I	26.1	Very low	26.9	Very low	133 Å²	133	148 Å²	148	68%	0.682	78%	0.781	S	S	*	*			trans	-133.2	143.4	149.9	-54.1	179.6	0	0	0	107.6	Y231	I229-Y231 HydrophobicContact CB-CE2 4.34Å; I229-Y231 HydrophobicContact CG2-CD2 4.07Å; I229-Y231 HydrophobicContact CG2-CE2 3.45Å; I229-Y231 VanDerWaalsContact CG2-CE2 3.45Å
230	R	25.3	Very low	27	Very low	243 Å²	243	154.2 Å²	154.2	92%	0.917	79%	0.787	S	S	*	*			trans	-113.2	132.8	174.1	-70.1	178.7	174.5	169.4	-2.7	109.6
231	Y	28.7	Very low	27.1	Very low	205 Å²	205	153.3 Å²	153.3	80%	0.804	78%	0.782	S	S	*	*			trans	-118.4	166.5	167.2	-70.3	-72.6	0	0	0	110.6	I229	I229-Y231 HydrophobicContact CB-CE2 4.34Å; I229-Y231 HydrophobicContact CG2-CD2 4.07Å; I229-Y231 HydrophobicContact CG2-CE2 3.45Å; I229-Y231 VanDerWaalsContact CG2-CE2 3.45Å
232	R	30.7	Very low	27.2	Very low	247 Å²	247	148.5 Å²	148.5	93%	0.932	78%	0.777	S	S	*	*			trans	-98.3	147.3	-176.4	-71.3	-177.4	175.3	179.7	-1.4	110.9
233	S	27.7	Very low	27.2	Very low	135 Å²	135	150.8 Å²	150.8	94%	0.944	79%	0.789	S	S	*	*			trans	-71.6	136.5	178.8	-175.9	0	0	0	0	112.3
234	G	29.1	Very low	27.3	Very low	58 Å²	58	146.7 Å²	146.7	60%	0.598	77%	0.773	S	S	*	*			trans	169	142.8	177.7	0	0	0	0	0	110.1
235	D	28	Very low	27.2	Very low	174 Å²	174	145.2 Å²	145.2	93%	0.93	78%	0.778	S	S	*	*			trans	51.8	82.2	167.2	-54.7	-23.9	0	0	0	118.1
236	S	29.5	Very low	27.2	Very low	91 Å²	91	144.7 Å²	144.7	64%	0.636	77%	0.774	S	S	*	*			trans	-144.4	136.6	157.2	-168.2	0	0	0	0	111.5	V238	S236-V238 PolarHBondContact O-N 2.94Å
237	V	29.6	Very low	27.3	Very low	152 Å²	152	145.5 Å²	145.5	92%	0.921	77%	0.774	S	S	*	*	S	Bend	trans	-78.6	-5.7	-172.7	-158.7	0	0	0	0	112.8
238	V	27	Very low	27.4	Very low	114 Å²	114	150.6 Å²	150.6	69%	0.691	79%	0.786	S	S	*	*			trans	-107.3	85	-174	-173	0	0	0	0	111.3	S236 R240	S236-V238 PolarHBondContact O-N 2.94Å; V238-R240 PolarHBondContact O-N 3.31Å
239	K	27.8	Very low	27.7	Very low	190 Å²	190	147.2 Å²	147.2	83%	0.826	78%	0.779	S	S	*	*			trans	-66.4	115.3	168.4	-87.4	-175	175.2	177	0	110.5
240	R	27.5	Very low	27.9	Very low	186 Å²	186	147.1 Å²	147.1	70%	0.702	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-85.4	118.5	163.3	-58	-177.7	-168.4	169.4	6.5	108.2	V238	V238-R240 PolarHBondContact O-N 3.31Å
241	I	28	Very low	28	Very low	133 Å²	133	141 Å²	141	68%	0.682	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-99.2	118.7	173.8	-58.9	176.4	0	0	0	107.6
242	P	26.5	Very low	27.9	Very low	117 Å²	117	136.6 Å²	136.6	76%	0.76	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.1	137.8	170.9	30.5	-32.5	0	0	0	110.2
243	L	25.4	Very low	27.8	Very low	165 Å²	165	132.8 Å²	132.8	86%	0.864	77%	0.769	S	S	*	*			trans	-124.3	55.2	177.1	-75.4	174.3	0	0	0	111.1
244	E	27.4	Very low	27.8	Very low	112 Å²	112	131.9 Å²	131.9	52%	0.523	75%	0.753	S	S	.	*			trans	-124.7	141	155	-73.3	-170.6	-172.3	0	0	107.9	T218	T218-E244 VanDerWaalsContact CB-OE1 3.3Å; T218-E244 WeakPolarHBondContact CB-OE1 3.3Å; T218-E244 WeakPolarHBondContact CG2-OE1 3.3Å; T218-E244 PolarHBondContact N-OE1 2.89Å; T218-E244 PolarHBondContact OG1-OE1 3.37Å
245	S	25.6	Very low	27.8	Very low	108 Å²	108	134.1 Å²	134.1	76%	0.755	77%	0.766	S	S	*	*			trans	-81.1	148.1	177.3	52.9	0	0	0	0	111.1
246	S	25.6	Very low	28	Very low	102 Å²	102	133.6 Å²	133.6	71%	0.713	76%	0.758	S	S	*	*	S	Bend	trans	66.5	134.8	177.3	38.1	0	0	0	0	117.5
247	D	28.5	Very low	27.9	Very low	153 Å²	153	133 Å²	133	82%	0.818	75%	0.753	S	S	*	*	S	Bend	trans	71.7	92	149.6	-51.7	-9.1	0	0	0	120.5
248	E	28.4	Very low	28.2	Very low	205 Å²	205	129.1 Å²	129.1	96%	0.958	73%	0.73	S	S	*	*			trans	40.8	81.5	135.2	-56.3	-163.8	152.5	0	0	119.3
249	G	30.5	Very low	28.5	Very low	69 Å²	69	129.8 Å²	129.8	71%	0.711	73%	0.725	S	S	*	*			trans	-132.7	126.5	163.5	0	0	0	0	0	112.4
250	P	30	Very low	28.8	Very low	130 Å²	130	127.3 Å²	127.3	84%	0.844	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-73.8	136.3	-176.7	28.9	-34.5	0	0	0	112.6	T252	P250-T252 PolarHBondContact O-N 3.34Å
251	S	26.4	Very low	29.1	Very low	116 Å²	116	123.1 Å²	123.1	81%	0.811	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-75.3	119.8	-177.7	57.8	0	0	0	0	113.2
252	T	25.7	Very low	29.2	Very low	111 Å²	111	122.8 Å²	122.8	68%	0.681	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-83.5	120.1	173.4	-35.5	0	0	0	0	111.4	P250	P250-T252 PolarHBondContact O-N 3.34Å
253	E	30.2	Very low	29.4	Very low	167 Å²	167	125 Å²	125	78%	0.78	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-75.6	151.6	171.3	-64.4	-171.1	124.7	0	0	111.8
254	L	27.4	Very low	29.7	Very low	117 Å²	117	123.3 Å²	123.3	61%	0.613	68%	0.681	S	S	*	*			trans	-106.7	143.2	171.3	-84.4	162.8	0	0	0	108.3	Q256	L254-Q256 PolarHBondContact O-N 2.88Å
255	A	29.8	Very low	29.8	Very low	104 Å²	104	124.1 Å²	124.1	86%	0.86	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-55	130.8	-178.7	0	0	0	0	0	111.5
256	Q	30.8	Very low	29.8	Very low	163 Å²	163	121.7 Å²	121.7	76%	0.762	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-77.5	128.9	178.2	-63.4	172.7	-9.9	0	0	109.7	L254	L254-Q256 PolarHBondContact O-N 2.88Å
257	C	28.8	Very low	29.7	Very low	79 Å²	79	121.9 Å²	121.9	53%	0.534	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-71	138.6	152.7	-62.8	0	0	0	0	107.6
258	T	34.6	Very low	29.5	Very low	71 Å²	71	118.2 Å²	118.2	44%	0.436	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-67.6	155	168.2	70	0	0	0	0	110	E260 Q261 Y262	T258-E260 PolarHBondContact O-N 3.29Å; T258-Q261 PolarHBondContact O-N 3.46Å; T258-Q261 VanDerWaalsContact O-N 3.12Å; T258-Q261 WeakPolarHBondContact OG1-CB 3.43Å; T258-Q261 VanDerWaalsContact OG1-CG 3.23Å; T258-Q261 WeakPolarHBondContact OG1-CG 3.32Å; T258-Q261 PolarHBondContact OG1-N 3.49Å; T258-Q261 VanDerWaalsContact OG1-N 3.1Å; T258-Y262 PolarHBondContact O-N 2.87Å
259	E	32.9	Very low	29.6	Very low	127 Å²	127	115.8 Å²	115.8	59%	0.593	65%	0.645	S	S	*	*	H	α-helix	trans	-58.7	-34.5	178.3	-157.7	-164.7	152.5	0	0	111.7	Y262 R263	E259-Y262 PolarHBondContact O-N 3.42Å; E259-R263 WeakPolarHBondContact O-CB 3.43Å; E259-R263 WeakPolarHBondContact O-CD 3.43Å; E259-R263 WeakPolarHBondContact O-CG 3.37Å; E259-R263 PolarHBondContact O-N 3.36Å; E259-R263 IonicContact OE1-CZ 3.83Å; E259-R263 IonicContact OE1-NE 3.7Å; E259-R263 PolarHBondContact OE1-NE 2.66Å; E259-R263 IonicContact OE1-NH2 3.16Å; E259-R263 PolarHBondContact OE1-NH2 2.87Å
260	E	33.9	Very low	29.6	Very low	138 Å²	138	116.6 Å²	116.6	65%	0.645	63%	0.63	S	S	*	*	H	α-helix	trans	-68.7	-43.5	174.7	-173.5	173.8	-138.3	0	0	112.7	T258 Y262 R263 N264	T258-E260 PolarHBondContact O-N 3.29Å; E260-Y262 PolarHBondContact O-N 2.61Å; E260-R263 PolarHBondContact O-N 2.83Å; E260-N264 VanDerWaalsContact O-CB 3.32Å; E260-N264 WeakPolarHBondContact O-CB 3.5Å; E260-N264 PolarHBondContact O-N 3.13Å; E260-N264 PolarHBondContact O-ND2 2.75Å
261	Q	34.3	Very low	29.7	Very low	99 Å²	99	115.1 Å²	115.1	46%	0.463	62%	0.619	S	S	.	*	H	α-helix	trans	-61.1	-33.9	172.4	-75.5	166.9	-12	0	0	112.1	T258 Q265	T258-Q261 PolarHBondContact O-N 3.46Å; T258-Q261 VanDerWaalsContact O-N 3.12Å; T258-Q261 WeakPolarHBondContact OG1-CB 3.43Å; T258-Q261 VanDerWaalsContact OG1-CG 3.23Å; T258-Q261 WeakPolarHBondContact OG1-CG 3.32Å; T258-Q261 PolarHBondContact OG1-N 3.49Å; T258-Q261 VanDerWaalsContact OG1-N 3.1Å; Q261-Q265 VanDerWaalsContact O-CD 3.26Å; Q261-Q265 WeakPolarHBondContact O-CG 3.43Å; Q261-Q265 PolarHBondContact O-NE2 3.32Å
262	Y	31.2	Very low	30.4	Very low	126 Å²	126	111.9 Å²	111.9	49%	0.494	60%	0.603	S	S	.	*	H	α-helix	trans	-75.2	-43.2	177.4	-172.4	-108.8	0	0	0	112	T258 E259 E260 N264 Q265 V271	T258-Y262 PolarHBondContact O-N 2.87Å; E259-Y262 PolarHBondContact O-N 3.42Å; E260-Y262 PolarHBondContact O-N 2.61Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 2.79Å; Y262-Q265 PolarHBondContact O-N 3.36Å; Y262-V271 HydrophobicContact CE1-CB 4.33Å; Y262-V271 HydrophobicContact CE1-CG1 4.04Å; Y262-V271 HydrophobicContact CE1-CG2 3.91Å
263	R	29	Very low	31.1	Very low	162 Å²	162	108.2 Å²	108.2	61%	0.611	58%	0.581	S	S	*	*	H	α-helix	trans	-60.2	-37.4	173.5	-75.2	165	177.9	-106.9	5.3	112.3	E259 E260 Q265	E259-R263 WeakPolarHBondContact O-CB 3.43Å; E259-R263 WeakPolarHBondContact O-CD 3.43Å; E259-R263 WeakPolarHBondContact O-CG 3.37Å; E259-R263 PolarHBondContact O-N 3.36Å; E259-R263 IonicContact OE1-CZ 3.83Å; E259-R263 IonicContact OE1-NE 3.7Å; E259-R263 PolarHBondContact OE1-NE 2.66Å; E259-R263 IonicContact OE1-NH2 3.16Å; E259-R263 PolarHBondContact OE1-NH2 2.87Å; E260-R263 PolarHBondContact O-N 2.83Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.79Å
264	N	32.2	Very low	31.7	Very low	131 Å²	131	100.9 Å²	100.9	70%	0.701	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	1.9	-176.4	-67.1	-17	0	0	0	114.8	E260 Y262	E260-N264 VanDerWaalsContact O-CB 3.32Å; E260-N264 WeakPolarHBondContact O-CB 3.5Å; E260-N264 PolarHBondContact O-N 3.13Å; E260-N264 PolarHBondContact O-ND2 2.75Å; Y262-N264 VanDerWaalsContact C-N 3.3Å; Y262-N264 PolarHBondContact O-N 2.79Å
265	Q	30.2	Very low	32.3	Very low	129 Å²	129	97.3 Å²	97.3	60%	0.603	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-9.5	-176.6	-82.9	171.1	23.2	0	0	115.2	Q261 Y262 R263	Q261-Q265 VanDerWaalsContact O-CD 3.26Å; Q261-Q265 WeakPolarHBondContact O-CG 3.43Å; Q261-Q265 PolarHBondContact O-NE2 3.32Å; Y262-Q265 PolarHBondContact O-N 3.36Å; R263-Q265 VanDerWaalsContact C-N 3.31Å; R263-Q265 PolarHBondContact O-N 2.79Å
266	A	25.6	Very low	32.8	Very low	57 Å²	57	96.3 Å²	96.3	47%	0.471	51%	0.51	S	S	.	.			trans	-131.3	121.2	-168.4	0	0	0	0	0	113.6	S268	A266-S268 PolarHBondContact O-N 2.81Å; A266-S268 VanDerWaalsContact O-N 3.08Å
267	P	24.2	Very low	33.2	Very low	105 Å²	105	90.4 Å²	90.4	68%	0.682	48%	0.484	S	S	*	.	S	Bend	trans	-65	106	163.6	-20.2	33.5	0	0	0	111.1	H269	P267-H269 PolarHBondContact O-N 3.46Å; P267-H269 VanDerWaalsContact O-N 3.14Å
268	S	24.2	Very low	33.7	Very low	77 Å²	77	88 Å²	88	54%	0.538	47%	0.47	S	S	.	.	S	Bend	trans	51.9	41.8	151.9	65.1	0	0	0	0	118.6	A266 P346	A266-S268 PolarHBondContact O-N 2.81Å; A266-S268 VanDerWaalsContact O-N 3.08Å; S268-P346 WeakPolarHBondContact O-CB 3.41Å; S268-P346 WeakPolarHBondContact O-CG 3.45Å
269	H	30	Very low	34	Very low	154 Å²	154	86.9 Å²	86.9	71%	0.713	46%	0.46	S	S	*	.			trans	-123.6	128.3	163.7	-74	-57.6	0	0	0	111.2	P267 V271	P267-H269 PolarHBondContact O-N 3.46Å; P267-H269 VanDerWaalsContact O-N 3.14Å; H269-V271 PolarHBondContact O-N 2.83Å
270	H	31	Very low	34	Very low	85 Å²	85	86.9 Å²	86.9	39%	0.394	46%	0.455	S	S	.	.			trans	-75.8	107.8	-170.7	-124.2	-65	0	0	0	111.8	G272 C273 H350	H270-G272 PolarHBondContact O-N 3.49Å; H270-C273 PolarHBondContact O-SG 3.18Å; H270-H350 AromaticContact NE2-CE1 3.43Å; H270-H350 PolarHBondContact NE2-CE1 2.79Å
271	V	31.8	Very low	34	Very low	100 Å²	100	86.4 Å²	86.4	61%	0.606	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	119.8	172.6	-176.8	0	0	0	0	108.9	Y262 H269	Y262-V271 HydrophobicContact CE1-CB 4.33Å; Y262-V271 HydrophobicContact CE1-CG1 4.04Å; Y262-V271 HydrophobicContact CE1-CG2 3.91Å; H269-V271 PolarHBondContact O-N 2.83Å
272	G	40	Very low	34.1	Very low	47 Å²	47	84.3 Å²	84.3	49%	0.485	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.9	-21.4	178.3	0	0	0	0	0	114.5	H270 P339	H270-G272 PolarHBondContact O-N 3.49Å; G272-P339 WeakPolarHBondContact O-CD 3.21Å
273	C	40.1	Very low	34.2	Very low	34 Å²	34	80.9 Å²	80.9	23%	0.23	43%	0.434	C	S	.	.			trans	-106.7	159.2	179.5	61.5	0	0	0	0	113.2	H270 P339 C341	H270-C273 PolarHBondContact O-SG 3.18Å; C273-P339 CarbonylContact C-O 3.55Å; C273-P339 WeakPolarHBondContact CA-O 3.39Å; C273-P339 HydrophobicContact CB-CB 4.36Å; C273-P339 HydrophobicContact CB-CG 3.92Å; C273-P339 WeakPolarHBondContact CB-O 3.39Å; C273-C341 HydrophobicContact CB-CB 4Å; C273-C341 WeakPolarHBondContact CB-SG 3.32Å; C273-C341 PolarHBondContact O-SG 3.46Å; C273-C341 VanDerWaalsContact O-SG 3.36Å; C273-C341 VanDerWaalsContact SG-CA 3.59Å; C273-C341 WeakPolarHBondContact SG-CB 3.46Å; C273-C341 CovalentContact SG-SG 2.03Å; C273-C341 PolarHBondContact SG-SG 2.77Å
274	I	43.7	Very low	34.2	Very low	13 Å²	13	81.3 Å²	81.3	7%	0.067	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.8	170.9	-169.4	172.8	0	0	0	109.2	A278 M279 F282 P325 F338 P339 V340 C341	I274-A278 HydrophobicContact CG1-CB 3.95Å; I274-M279 HydrophobicContact CD1-CG 3.88Å; I274-M279 HydrophobicContact CG1-CG 4.08Å; I274-M279 HydrophobicContact CG2-CG 4.23Å; I274-M279 HydrophobicContact CG2-SD 4.09Å; I274-F282 HydrophobicContact CD1-CD2 4.4Å; I274-F282 HydrophobicContact CD1-CE2 4.4Å; I274-P325 HydrophobicContact CD1-CG 4.01Å; I274-F338 HydrophobicContact CB-CB 3.95Å; I274-F338 HydrophobicContact CB-CD2 4.34Å; I274-F338 HydrophobicContact CB-CG 4.28Å; I274-F338 HydrophobicContact CG2-CB 3.76Å; I274-F338 HydrophobicContact CG2-CG 4.48Å; I274-P339 PolarHBondContact N-O 2.84Å; I274-V340 HydrophobicContact CG2-CG2 4.36Å; I274-V340 CarbonylContact O-C 3.51Å; I274-V340 VanDerWaalsContact O-CA 3.24Å; I274-V340 WeakPolarHBondContact O-CA 3.3Å; I274-C341 PolarHBondContact O-N 3.44Å
275	S	40.2	Very low	34.2	Very low	43 Å²	43	84.8 Å²	84.8	30%	0.301	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	154.1	178.8	63.9	0	0	0	0	112	D277 A278 M279	S275-D277 PolarHBondContact O-N 2.81Å; S275-A278 WeakPolarHBondContact O-CB 3.41Å; S275-A278 PolarHBondContact O-N 3.49Å; S275-A278 WeakPolarHBondContact OG-CB 3.48Å; S275-A278 PolarHBondContact OG-N 3.36Å; S275-A278 VanDerWaalsContact OG-N 3.12Å; S275-M279 PolarHBondContact O-N 3.45Å
276	E	40.9	Very low	34.3	Very low	83 Å²	83	85.8 Å²	85.8	39%	0.388	44%	0.444	S	S	.	.	H	α-helix	trans	-56.5	-36.4	171.3	-71.4	-163.9	-176	0	0	112.1	A278 M279 R280 V340	E276-A278 VanDerWaalsContact C-N 3.35Å; E276-A278 PolarHBondContact O-N 3.48Å; E276-M279 WeakPolarHBondContact O-CB 3.15Å; E276-M279 PolarHBondContact O-N 2.91Å; E276-R280 WeakPolarHBondContact O-CB 3.25Å; E276-R280 VanDerWaalsContact O-CG 3.27Å; E276-R280 WeakPolarHBondContact O-CG 3.24Å; E276-R280 PolarHBondContact O-N 2.76Å; E276-R280 IonicContact OE2-NH2 2.65Å; E276-R280 PolarHBondContact OE2-NH2 2.87Å; E276-R280 VanDerWaalsContact OE2-NH2 3.16Å; E276-V340 HydrophobicContact CG-CG1 4.03Å
277	D	37.6	Very low	34.5	Very low	38 Å²	38	85.9 Å²	85.9	20%	0.203	45%	0.45	C	S	.	.	H	α-helix	trans	-63.3	-40.2	175.2	-67.5	-53.1	0	0	0	111.8	H186 S275 R280 H281 K343	H186-D277 IonicContact CE1-OD1 3.46Å; H186-D277 IonicContact CE1-OD2 3.67Å; H186-D277 PolarHBondContact CE1-OD2 2.89Å; S275-D277 PolarHBondContact O-N 2.81Å; D277-R280 PolarHBondContact O-N 3.27Å; D277-H281 PolarHBondContact O-N 2.91Å; D277-H281 PolarHBondContact O-ND1 3.49Å; D277-K343 IonicContact OD1-NZ 2.62Å; D277-K343 WeakPolarHBondContact OD2-CE 3.44Å; D277-K343 IonicContact OD2-NZ 2.68Å; D277-K343 PolarHBondContact OD2-NZ 3.25Å
278	A	40.5	Very low	34.8	Very low	29 Å²	29	90 Å²	90	24%	0.24	46%	0.46	C	S	.	.	H	α-helix	trans	-66.5	-44	175.2	0	0	0	0	0	111.4	I274 S275 E276 R280 H281 F282	I274-A278 HydrophobicContact CG1-CB 3.95Å; S275-A278 WeakPolarHBondContact O-CB 3.41Å; S275-A278 PolarHBondContact O-N 3.49Å; S275-A278 WeakPolarHBondContact OG-CB 3.48Å; S275-A278 PolarHBondContact OG-N 3.36Å; S275-A278 VanDerWaalsContact OG-N 3.12Å; E276-A278 VanDerWaalsContact C-N 3.35Å; E276-A278 PolarHBondContact O-N 3.48Å; A278-R280 PolarHBondContact O-N 2.76Å; A278-H281 PolarHBondContact O-N 3.11Å; A278-F282 WeakPolarHBondContact O-CD2 3.39Å; A278-F282 PolarHBondContact O-N 3.1Å
279	M	40.2	Very low	35.4	Very low	48 Å²	48	95.3 Å²	95.3	24%	0.236	47%	0.468	C	S	.	.	H	α-helix	trans	-54.1	-53.2	171.3	-75.3	162.8	42.9	0	0	110.9	I274 S275 E276 H281 F282 V283 V340	I274-M279 HydrophobicContact CD1-CG 3.88Å; I274-M279 HydrophobicContact CG1-CG 4.08Å; I274-M279 HydrophobicContact CG2-CG 4.23Å; I274-M279 HydrophobicContact CG2-SD 4.09Å; S275-M279 PolarHBondContact O-N 3.45Å; E276-M279 WeakPolarHBondContact O-CB 3.15Å; E276-M279 PolarHBondContact O-N 2.91Å; M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.33Å; M279-F282 PolarHBondContact O-N 2.98Å; M279-F282 VanDerWaalsContact O-N 3.15Å; M279-V283 VanDerWaalsContact O-CG2 3.3Å; M279-V283 WeakPolarHBondContact O-CG2 3.2Å; M279-V283 PolarHBondContact O-N 3.33Å; M279-V340 HydrophobicContact SD-CG1 3.93Å; M279-V340 HydrophobicContact SD-CG2 3.84Å
280	R	33.9	Very low	35.3	Very low	127 Å²	127	93.1 Å²	93.1	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-56.7	-38.5	177.6	-70.6	173	-167.6	-168.1	8.4	112.1	E276 D277 A278 V283 Y284	E276-R280 WeakPolarHBondContact O-CB 3.25Å; E276-R280 VanDerWaalsContact O-CG 3.27Å; E276-R280 WeakPolarHBondContact O-CG 3.24Å; E276-R280 PolarHBondContact O-N 2.76Å; E276-R280 IonicContact OE2-NH2 2.65Å; E276-R280 PolarHBondContact OE2-NH2 2.87Å; E276-R280 VanDerWaalsContact OE2-NH2 3.16Å; D277-R280 PolarHBondContact O-N 3.27Å; A278-R280 PolarHBondContact O-N 2.76Å; R280-V283 PolarHBondContact O-N 2.95Å; R280-Y284 PolarHBondContact O-N 3.29Å
281	H	34.1	Very low	35.5	Very low	127 Å²	127	93.2 Å²	93.2	59%	0.588	47%	0.47	S	S	*	.	H	α-helix	trans	-66.8	-41.1	176.5	-82.1	72.4	0	0	0	113.4	D277 A278 M279 V283 Y284 Y285	D277-H281 PolarHBondContact O-N 2.91Å; D277-H281 PolarHBondContact O-ND1 3.49Å; A278-H281 PolarHBondContact O-N 3.11Å; M279-H281 VanDerWaalsContact C-N 3.28Å; M279-H281 PolarHBondContact O-N 3.33Å; H281-V283 VanDerWaalsContact C-N 3.35Å; H281-Y284 PolarHBondContact O-N 2.77Å; H281-Y285 PolarHBondContact O-N 3.21Å
282	F	35.8	Very low	35.7	Very low	56 Å²	56	93 Å²	93	25%	0.246	47%	0.468	C	S	.	.	H	α-helix	trans	-65.5	-38.5	175.2	-72.7	-63.3	0	0	0	112.2	F208 I274 A278 M279 Y284 Y285 Y295	F208-F282 HydrophobicContact CD2-CE1 4.41Å; F208-F282 HydrophobicContact CD2-CZ 4.29Å; F208-F282 HydrophobicContact CE1-CZ 4.12Å; F208-F282 HydrophobicContact CE2-CE1 4.25Å; F208-F282 AromaticContact CE2-CZ 3.71Å; F208-F282 HydrophobicContact CE2-CZ 3.71Å; F208-F282 HydrophobicContact CZ-CE1 4.48Å; F208-F282 AromaticContact CZ-CZ 3.63Å; F208-F282 HydrophobicContact CZ-CZ 3.63Å; I274-F282 HydrophobicContact CD1-CD2 4.4Å; I274-F282 HydrophobicContact CD1-CE2 4.4Å; A278-F282 WeakPolarHBondContact O-CD2 3.39Å; A278-F282 PolarHBondContact O-N 3.1Å; M279-F282 PolarHBondContact O-N 2.98Å; M279-F282 VanDerWaalsContact O-N 3.15Å; F282-Y284 VanDerWaalsContact C-N 3.35Å; F282-Y285 PolarHBondContact O-N 3.35Å; F282-Y295 WeakPolarHBondContact CD1-OH 3.03Å; F282-Y295 VanDerWaalsContact CE1-OH 3.28Å; F282-Y295 WeakPolarHBondContact CE1-OH 3.33Å; F282-Y295 HydrophobicContact CE2-CE1 4.48Å; F282-Y295 HydrophobicContact CZ-CE1 4.24Å; F282-Y295 WeakPolarHBondContact CZ-OH 3.32Å
283	V	32.4	Very low	35.7	Very low	54 Å²	54	91.9 Å²	91.9	33%	0.327	45%	0.452	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.2	177.9	0	0	0	0	111.5	M279 R280 H281 Y285 F317 G321	M279-V283 VanDerWaalsContact O-CG2 3.3Å; M279-V283 WeakPolarHBondContact O-CG2 3.2Å; M279-V283 PolarHBondContact O-N 3.33Å; R280-V283 PolarHBondContact O-N 2.95Å; H281-V283 VanDerWaalsContact C-N 3.35Å; V283-Y285 VanDerWaalsContact C-N 3.35Å; V283-Y285 PolarHBondContact O-N 2.77Å; V283-F317 HydrophobicContact CG2-CZ 4.3Å; V283-G321 WeakPolarHBondContact CG2-O 3.47Å
284	Y	29.8	Very low	35.8	Very low	171 Å²	171	93 Å²	93	67%	0.671	46%	0.458	S	S	*	.	H	α-helix	trans	-72.5	-19.1	178.8	-102.9	-83.2	0	0	0	115.2	R280 H281 F282 K286	R280-Y284 PolarHBondContact O-N 3.29Å; H281-Y284 PolarHBondContact O-N 2.77Å; F282-Y284 VanDerWaalsContact C-N 3.35Å; Y284-K286 PolarHBondContact O-N 3.44Å
285	Y	31.6	Very low	36.1	Very low	204 Å²	204	94.1 Å²	94.1	80%	0.8	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	8.1	-178	-120.3	-83.5	0	0	0	114.6	H281 F282 V283 G287	H281-Y285 PolarHBondContact O-N 3.21Å; F282-Y285 PolarHBondContact O-N 3.35Å; V283-Y285 VanDerWaalsContact C-N 3.35Å; V283-Y285 PolarHBondContact O-N 2.77Å; Y285-G287 PolarHBondContact O-N 3.35Å
286	K	31.9	Very low	36.7	Very low	150 Å²	150	95.6 Å²	95.6	65%	0.652	46%	0.463	S	S	*	.			trans	-65.4	87	-177.2	-170.5	167.9	177.8	171.3	0	112.6	Y284 L319	Y284-K286 PolarHBondContact O-N 3.44Å; K286-L319 PolarHBondContact NZ-O 3.38Å
287	G	30.6	Very low	37.9	Very low	59 Å²	59	95.8 Å²	95.8	61%	0.608	47%	0.466	S	S	*	.			trans	-116.2	80.1	178	0	0	0	0	0	113.3	Y285 R289	Y285-G287 PolarHBondContact O-N 3.35Å; G287-R289 PolarHBondContact O-N 2.81Å
288	E	31.2	Very low	39.1	Very low	192 Å²	192	95.3 Å²	95.3	90%	0.897	46%	0.464	S	S	*	.	S	Bend	trans	52.3	-21.3	165.5	-64.1	-153.6	132.1	0	0	122
289	R	35.8	Very low	40.5	Very low	187 Å²	187	94 Å²	94	71%	0.706	45%	0.453	S	S	*	.	S	Bend	trans	-128.5	151.4	-178.1	-63.7	-169.9	-177.5	-166.2	-1.1	112.8	G287	G287-R289 PolarHBondContact O-N 2.81Å
290	T	27.9	Very low	41.4	Very low	109 Å²	109	92.7 Å²	92.7	67%	0.669	45%	0.45	S	S	*	.			trans	-83.2	117.8	-164.7	49.4	0	0	0	0	112.7
291	D	36.4	Very low	42.6	Very low	87 Å²	87	92.5 Å²	92.5	47%	0.465	45%	0.45	S	S	.	.			trans	-126	107.8	162.5	-84.9	-62.2	0	0	0	109.1	V210 V293	V210-D291 WeakPolarHBondContact CG1-OD1 3.29Å; D291-V293 PolarHBondContact O-N 3.37Å
292	V	34.6	Very low	44	Very low	94 Å²	94	88.5 Å²	88.5	57%	0.57	44%	0.444	S	S	*	.			trans	-79.3	89.4	176.4	-178	0	0	0	0	108.6	T294	V292-T294 PolarHBondContact O-N 3.25Å; V292-T294 PolarHBondContact O-OG1 2.65Å
293	V	40.5	Very low	45.9	Very low	24 Å²	24	89.4 Å²	89.4	15%	0.145	45%	0.449	C	S	.	.			trans	-59	112.3	173.5	-176.5	0	0	0	0	108.6	F208 D291 Y295	F208-V293 HydrophobicContact CB-CG1 4Å; F208-V293 HydrophobicContact CD1-CG1 3.51Å; F208-V293 HydrophobicContact CE1-CG1 4.38Å; F208-V293 HydrophobicContact CG-CG1 3.98Å; D291-V293 PolarHBondContact O-N 3.37Å; V293-Y295 HydrophobicContact CB-CD2 4.42Å; V293-Y295 HydrophobicContact CB-CE1 4.42Å; V293-Y295 HydrophobicContact CB-CE2 3.7Å; V293-Y295 HydrophobicContact CG1-CD1 4.13Å; V293-Y295 HydrophobicContact CG1-CD2 4.28Å; V293-Y295 HydrophobicContact CG1-CE1 3.58Å; V293-Y295 HydrophobicContact CG1-CE2 3.74Å; V293-Y295 HydrophobicContact CG1-CG 4.45Å; V293-Y295 WeakPolarHBondContact O-CD2 3.37Å; V293-Y295 VanDerWaalsContact O-CE2 3.27Å; V293-Y295 WeakPolarHBondContact O-CE2 3.02Å
294	T	41	Very low	48.1	Very low	58 Å²	58	91.8 Å²	91.8	36%	0.356	46%	0.459	S	S	.	.			trans	-86.4	113.7	-177.8	-64.7	0	0	0	0	109.4	V292 I314	V292-T294 PolarHBondContact O-N 3.25Å; V292-T294 PolarHBondContact O-OG1 2.65Å; T294-I314 HydrophobicContact CG2-CB 4.3Å; T294-I314 HydrophobicContact CG2-CD1 3.69Å; T294-I314 HydrophobicContact CG2-CG2 4.21Å; T294-I314 WeakPolarHBondContact OG1-CD1 3.3Å
295	Y	50.4	Low	50.3	Low	36 Å²	36	84.1 Å²	84.1	14%	0.141	43%	0.431	C	S	.	.			trans	-97.8	-40.4	-165.3	-77.8	-70.6	0	0	0	115.6	F208 F282 V293 F317 P325 F338	F208-Y295 HydrophobicContact CD1-CE1 4.08Å; F208-Y295 HydrophobicContact CE1-CD1 4.21Å; F208-Y295 AromaticContact CE1-CE1 3.7Å; F208-Y295 HydrophobicContact CE1-CE1 3.7Å; F282-Y295 WeakPolarHBondContact CD1-OH 3.03Å; F282-Y295 VanDerWaalsContact CE1-OH 3.28Å; F282-Y295 WeakPolarHBondContact CE1-OH 3.33Å; F282-Y295 HydrophobicContact CE2-CE1 4.48Å; F282-Y295 HydrophobicContact CZ-CE1 4.24Å; F282-Y295 WeakPolarHBondContact CZ-OH 3.32Å; V293-Y295 HydrophobicContact CB-CD2 4.42Å; V293-Y295 HydrophobicContact CB-CE1 4.42Å; V293-Y295 HydrophobicContact CB-CE2 3.7Å; V293-Y295 HydrophobicContact CG1-CD1 4.13Å; V293-Y295 HydrophobicContact CG1-CD2 4.28Å; V293-Y295 HydrophobicContact CG1-CE1 3.58Å; V293-Y295 HydrophobicContact CG1-CE2 3.74Å; V293-Y295 HydrophobicContact CG1-CG 4.45Å; V293-Y295 WeakPolarHBondContact O-CD2 3.37Å; V293-Y295 VanDerWaalsContact O-CE2 3.27Å; V293-Y295 WeakPolarHBondContact O-CE2 3.02Å; Y295-F317 HydrophobicContact CE2-CB 4.3Å; Y295-P325 HydrophobicContact CD2-CB 3.95Å; Y295-P325 HydrophobicContact CD2-CG 4.45Å; Y295-P325 HydrophobicContact CE2-CB 4.28Å; Y295-P325 HydrophobicContact CE2-CG 4.38Å; Y295-P325 HydrophobicContact CG-CB 4.42Å; Y295-F338 AromaticContact CD1-CE2 3.61Å; Y295-F338 HydrophobicContact CD1-CE2 3.61Å; Y295-F338 AromaticContact CD1-CZ 3.81Å; Y295-F338 HydrophobicContact CD1-CZ 3.81Å; Y295-F338 HydrophobicContact CE1-CE2 4.45Å; Y295-F338 AromaticContact CG-CE2 3.73Å; Y295-F338 HydrophobicContact CG-CE2 3.73Å; Y295-F338 HydrophobicContact CG-CZ 4.09Å
296	K	53	Low	52.6	Low	75 Å²	75	78.4 Å²	78.4	33%	0.326	41%	0.41	S	S	.	.			trans	-170.7	167.4	-176	-156.6	163	169.2	-92.9	0	108.1	T298 T299 I314 C315	K296-T298 VanDerWaalsContact CD-O 3.31Å; K296-T298 WeakPolarHBondContact CD-O 3.39Å; K296-T298 WeakPolarHBondContact CE-OG1 3.3Å; K296-T298 WeakPolarHBondContact CG-O 3.21Å; K296-T298 PolarHBondContact NZ-O 2.83Å; K296-T298 PolarHBondContact NZ-OG1 2.92Å; K296-T299 PolarHBondContact NZ-O 3.42Å; K296-I314 WeakPolarHBondContact O-CA 3.15Å; K296-C315 HydrophobicContact CB-CB 4.32Å; K296-C315 WeakPolarHBondContact O-CB 3.48Å; K296-C315 PolarHBondContact O-N 3.18Å; K296-C315 PolarHBondContact O-SG 3.28Å; K296-C315 VanDerWaalsContact O-SG 3.33Å
297	N	65.6	Low	54.7	Low	87 Å²	87	74.7 Å²	74.7	47%	0.465	41%	0.407	S	S	.	.	S	Bend	trans	-110.6	11.5	168.9	75.7	-58.8	0	0	0	112.7	C305 I314	N297-C305 VanDerWaalsContact O-CB 3.3Å; N297-C305 WeakPolarHBondContact O-CB 3.42Å; N297-C305 PolarHBondContact O-N 3.44Å; N297-C305 PolarHBondContact O-SG 2.86Å; N297-I314 HydrophobicContact CB-CG2 4.43Å
298	T	64.2	Low	56.5	Low	27 Å²	27	75.6 Å²	75.6	17%	0.166	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-142	151.1	179.6	53.8	0	0	0	0	110	K296 H303 D304	K296-T298 VanDerWaalsContact CD-O 3.31Å; K296-T298 WeakPolarHBondContact CD-O 3.39Å; K296-T298 WeakPolarHBondContact CE-OG1 3.3Å; K296-T298 WeakPolarHBondContact CG-O 3.21Å; K296-T298 PolarHBondContact NZ-O 2.83Å; K296-T298 PolarHBondContact NZ-OG1 2.92Å; T298-H303 CarbonylContact C-O 3.47Å; T298-H303 WeakPolarHBondContact CA-O 3.38Å; T298-H303 WeakPolarHBondContact CB-O 3.4Å; T298-D304 WeakPolarHBondContact CG2-OD1 3.42Å
299	T	68.9	Low	58.2	Low	1 Å²	1	74.1 Å²	74.1	1%	0.006	39%	0.386	C	S	.	.			trans	-76.5	177.4	-172.6	69.4	0	0	0	0	113.1	K296 Y301 G302 H303 C327 T329 E335	K296-T299 PolarHBondContact NZ-O 3.42Å; T299-Y301 PolarHBondContact O-N 2.81Å; T299-Y301 PolarHBondContact OG1-N 3.25Å; T299-Y301 VanDerWaalsContact OG1-N 3.16Å; T299-G302 PolarHBondContact O-N 3.36Å; T299-G302 VanDerWaalsContact O-N 3.11Å; T299-G302 PolarHBondContact OG1-N 3.04Å; T299-H303 HydrophobicContact CG2-CB 4.38Å; T299-H303 PolarHBondContact N-O 2.82Å; T299-H303 PolarHBondContact OG1-N 2.78Å; T299-H303 VanDerWaalsContact OG1-N 3.16Å; T299-C327 VanDerWaalsContact CG2-SG 3.54Å; T299-T329 HydrophobicContact CG2-CG2 3.43Å; T299-T329 VanDerWaalsContact CG2-CG2 3.43Å; T299-E335 VanDerWaalsContact CB-OE2 3.26Å; T299-E335 WeakPolarHBondContact CB-OE2 3.31Å; T299-E335 HydrophobicContact CG2-CB 3.49Å; T299-E335 VanDerWaalsContact CG2-CB 3.49Å; T299-E335 HydrophobicContact CG2-CG 4.34Å; T299-E335 WeakPolarHBondContact CG2-OE2 3.35Å; T299-E335 PolarHBondContact OG1-OE2 2.78Å
300	A	59	Low	59.5	Low	21 Å²	21	73.7 Å²	73.7	17%	0.174	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-24.5	167	0	0	0	0	0	112.1	P336 C337	A300-P336 HydrophobicContact CB-CG 4.41Å; A300-P336 WeakPolarHBondContact CB-O 3.1Å; A300-P336 PolarHBondContact N-O 3.39Å; A300-C337 PolarHBondContact N-O 2.75Å
301	Y	59.1	Low	61.1	Low	123 Å²	123	70.6 Å²	70.6	48%	0.482	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	6.1	177.3	-50.4	-61.2	0	0	0	112.8	T299 H303 E335 P336 Q372	T299-Y301 PolarHBondContact O-N 2.81Å; T299-Y301 PolarHBondContact OG1-N 3.25Å; T299-Y301 VanDerWaalsContact OG1-N 3.16Å; Y301-H303 VanDerWaalsContact C-N 3.28Å; Y301-H303 PolarHBondContact O-N 2.8Å; Y301-E335 HydrophobicContact CD2-CB 4.31Å; Y301-E335 HydrophobicContact CD2-CG 4.06Å; Y301-E335 WeakPolarHBondContact CD2-OE2 3.36Å; Y301-E335 HydrophobicContact CE2-CG 4.41Å; Y301-P336 HydrophobicContact CE2-CG 4Å; Y301-Q372 VanDerWaalsContact C-NE2 3.26Å; Y301-Q372 PolarHBondContact O-NE2 2.97Å
302	G	63.7	Low	62.4	Low	43 Å²	43	69.5 Å²	69.5	44%	0.443	38%	0.375	S	S	.	.			trans	75	9.7	176.1	0	0	0	0	0	115	T299	T299-G302 PolarHBondContact O-N 3.36Å; T299-G302 VanDerWaalsContact O-N 3.11Å; T299-G302 PolarHBondContact OG1-N 3.04Å
303	H	76.3	Confident	64.3	Low	76 Å²	76	67.1 Å²	67.1	35%	0.352	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-75.7	145.8	173.2	-56.9	158.9	0	0	0	110	T298 T299 Y301 T329 E335	T298-H303 CarbonylContact C-O 3.47Å; T298-H303 WeakPolarHBondContact CA-O 3.38Å; T298-H303 WeakPolarHBondContact CB-O 3.4Å; T299-H303 HydrophobicContact CG2-CB 4.38Å; T299-H303 PolarHBondContact N-O 2.82Å; T299-H303 PolarHBondContact OG1-N 2.78Å; T299-H303 VanDerWaalsContact OG1-N 3.16Å; Y301-H303 VanDerWaalsContact C-N 3.28Å; Y301-H303 PolarHBondContact O-N 2.8Å; H303-T329 HydrophobicContact CB-CG2 3.84Å; H303-E335 IonicContact CE1-OE1 3.93Å; H303-E335 IonicContact CE1-OE2 2.76Å; H303-E335 IonicContact CG-OE1 2.74Å; H303-E335 IonicContact CG-OE2 2.74Å; H303-E335 VanDerWaalsContact ND1-CD 3.26Å; H303-E335 IonicContact ND1-OE1 3.26Å; H303-E335 PolarHBondContact ND1-OE1 2.66Å; H303-E335 IonicContact ND1-OE2 2.76Å; H303-E335 PolarHBondContact ND1-OE2 2.04Å
304	D	79	Confident	65.5	Low	103 Å²	103	67.9 Å²	67.9	55%	0.551	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-67.4	132.1	175.6	-73.6	-52.2	0	0	0	111.3	T298 K306	T298-D304 WeakPolarHBondContact CG2-OD1 3.42Å; D304-K306 PolarHBondContact O-N 2.84Å
305	C	75.8	Confident	66.5	Low	10 Å²	10	65.1 Å²	65.1	7%	0.068	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.8	125	169	-65.2	0	0	0	0	109.1	N297 C327 H328	N297-C305 VanDerWaalsContact O-CB 3.3Å; N297-C305 WeakPolarHBondContact O-CB 3.42Å; N297-C305 PolarHBondContact O-N 3.44Å; N297-C305 PolarHBondContact O-SG 2.86Å; C305-C327 WeakPolarHBondContact CA-SG 3.21Å; C305-C327 HydrophobicContact CB-CB 3.61Å; C305-C327 WeakPolarHBondContact CB-SG 3.37Å; C305-C327 WeakPolarHBondContact SG-CB 3.49Å; C305-C327 CovalentContact SG-SG 2.03Å; C305-C327 PolarHBondContact SG-SG 3.15Å; C305-H328 CarbonylContact C-O 3.58Å; C305-H328 WeakPolarHBondContact CA-O 3.36Å
306	K	79.5	Confident	66.7	Low	85 Å²	85	64.7 Å²	64.7	37%	0.37	35%	0.353	S	S	.	.			trans	-104.3	147.9	175	-56.6	-166.7	-174.6	-174.9	0	109.4	D304 H328 D330	D304-K306 PolarHBondContact O-N 2.84Å; K306-H328 PolarHBondContact N-O 3.22Å; K306-D330 WeakPolarHBondContact CE-OD2 3.48Å; K306-D330 IonicContact NZ-OD1 2.67Å; K306-D330 PolarHBondContact NZ-OD1 3.34Å; K306-D330 IonicContact NZ-OD2 2.69Å; K306-D330 PolarHBondContact NZ-OD2 2.73Å
307	A	76.6	Confident	67	Low	72 Å²	72	63.4 Å²	63.4	60%	0.595	35%	0.347	S	S	*	.			trans	-71.4	131.4	171.4	0	0	0	0	0	108.9	T311 A313	A307-T311 WeakPolarHBondContact CA-O 3.49Å; A307-A313 HydrophobicContact CB-CB 4.16Å
308	Y	67	Low	66.3	Low	78 Å²	78	63.2 Å²	63.2	31%	0.306	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-133.2	118.8	177.9	-177.6	-85	0	0	0	109.1	L310 T311 H328 T332	Y308-L310 PolarHBondContact O-N 3.26Å; Y308-L310 VanDerWaalsContact O-N 3.12Å; Y308-T311 PolarHBondContact N-O 2.96Å; Y308-T311 PolarHBondContact N-OG1 3.23Å; Y308-T311 WeakPolarHBondContact O-CB 3.36Å; Y308-T311 PolarHBondContact O-N 3.41Å; Y308-T311 PolarHBondContact O-OG1 3.23Å; Y308-H328 VanDerWaalsContact CB-CG 3.4Å; Y308-H328 AromaticContact CD1-CE1 3.37Å; Y308-H328 WeakPolarHBondContact CD1-CE1 3.29Å; Y308-H328 AromaticContact CD1-ND1 3.63Å; Y308-H328 AromaticContact CD1-NE2 3.82Å; Y308-H328 HydrophobicContact CG-CB 4.41Å; Y308-H328 AromaticContact CG-CE1 3.72Å; Y308-H328 AromaticContact CG-CG 3.85Å; Y308-H328 AromaticContact CG-ND1 3.45Å; Y308-T332 HydrophobicContact CE2-CG2 4.21Å
309	E	68	Low	65.2	Low	161 Å²	161	67.7 Å²	67.7	75%	0.752	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	-111.4	-172.1	-64.6	171.3	-157.8	0	0	112.4
310	L	62.5	Low	63.7	Low	177 Å²	177	72.7 Å²	72.7	93%	0.927	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-2.4	178.6	-66.7	170.2	0	0	0	113.3	Y308	Y308-L310 PolarHBondContact O-N 3.26Å; Y308-L310 VanDerWaalsContact O-N 3.12Å
311	T	60.8	Low	62.6	Low	44 Å²	44	72.4 Å²	72.4	27%	0.27	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-82.3	126.2	177.4	67.6	0	0	0	0	110.4	A307 Y308 H328	A307-T311 WeakPolarHBondContact CA-O 3.49Å; Y308-T311 PolarHBondContact N-O 2.96Å; Y308-T311 PolarHBondContact N-OG1 3.23Å; Y308-T311 WeakPolarHBondContact O-CB 3.36Å; Y308-T311 PolarHBondContact O-N 3.41Å; Y308-T311 PolarHBondContact O-OG1 3.23Å; T311-H328 PolarHBondContact OG1-CD2 3.12Å; T311-H328 VanDerWaalsContact OG1-CD2 3.31Å
312	P	64.4	Low	61.7	Low	64 Å²	64	73.9 Å²	73.9	42%	0.416	41%	0.406	S	S	.	.			trans	-70.4	160.3	176.7	30.7	-36	0	0	0	111.1	I314 T316	P312-I314 HydrophobicContact CB-CD1 4.28Å; P312-I314 HydrophobicContact CB-CG1 3.86Å; P312-I314 HydrophobicContact CG-CD1 3.87Å; P312-I314 HydrophobicContact CG-CG1 3.59Å; P312-I314 PolarHBondContact O-N 3.2Å; P312-T316 HydrophobicContact CG-CG2 4.04Å
313	A	74.2	Confident	61.1	Low	44 Å²	44	74.7 Å²	74.7	36%	0.364	40%	0.398	S	S	.	.	S	Bend	trans	-72.1	47.3	-178.9	0	0	0	0	0	113.9	A307	A307-A313 HydrophobicContact CB-CB 4.16Å
314	I	65.8	Low	60.1	Low	40 Å²	40	74 Å²	74	21%	0.205	40%	0.397	C	S	.	.	S	Bend	trans	-146.7	163.3	-175.3	54.6	167.6	0	0	0	110.6	T294 K296 N297 P312 T316 C327	T294-I314 HydrophobicContact CG2-CB 4.3Å; T294-I314 HydrophobicContact CG2-CD1 3.69Å; T294-I314 HydrophobicContact CG2-CG2 4.21Å; T294-I314 WeakPolarHBondContact OG1-CD1 3.3Å; K296-I314 WeakPolarHBondContact O-CA 3.15Å; N297-I314 HydrophobicContact CB-CG2 4.43Å; P312-I314 HydrophobicContact CB-CD1 4.28Å; P312-I314 HydrophobicContact CB-CG1 3.86Å; P312-I314 HydrophobicContact CG-CD1 3.87Å; P312-I314 HydrophobicContact CG-CG1 3.59Å; P312-I314 PolarHBondContact O-N 3.2Å; I314-T316 HydrophobicContact CG1-CG2 4.43Å; I314-T316 PolarHBondContact O-N 2.66Å; I314-C327 VanDerWaalsContact O-CB 3.23Å; I314-C327 WeakPolarHBondContact O-CB 3.48Å
315	C	62.1	Low	59.2	Low	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.371	C	S	.	.			trans	-68	110.4	171.2	-64	0	0	0	0	111.4	K296 C337	K296-C315 HydrophobicContact CB-CB 4.32Å; K296-C315 WeakPolarHBondContact O-CB 3.48Å; K296-C315 PolarHBondContact O-N 3.18Å; K296-C315 PolarHBondContact O-SG 3.28Å; K296-C315 VanDerWaalsContact O-SG 3.33Å; C315-C337 VanDerWaalsContact CA-SG 3.54Å; C315-C337 HydrophobicContact CB-CB 3.51Å; C315-C337 WeakPolarHBondContact CB-SG 3.21Å; C315-C337 WeakPolarHBondContact SG-CB 3.27Å; C315-C337 CovalentContact SG-SG 2Å; C315-C337 PolarHBondContact SG-SG 3.45Å
316	T	55.6	Low	58.9	Low	28 Å²	28	69.1 Å²	69.1	17%	0.172	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-101.2	160.7	177.7	65	0	0	0	0	110.8	P312 I314 P325 S326	P312-T316 HydrophobicContact CG-CG2 4.04Å; I314-T316 HydrophobicContact CG1-CG2 4.43Å; I314-T316 PolarHBondContact O-N 2.66Å; T316-P325 CarbonylContact O-C 3.43Å; T316-P325 VanDerWaalsContact O-CA 3.31Å; T316-P325 WeakPolarHBondContact O-CA 3.36Å; T316-S326 PolarHBondContact N-O 2.67Å; T316-S326 PolarHBondContact O-N 3Å; T316-S326 PolarHBondContact OG1-O 2.6Å
317	F	57.8	Low	58.5	Low	47 Å²	47	65.3 Å²	65.3	21%	0.206	36%	0.355	C	S	.	.			trans	-114	119.3	169.5	-164.4	-100.1	0	0	0	108.3	V283 Y295 L319 E323 P325	V283-F317 HydrophobicContact CG2-CZ 4.3Å; Y295-F317 HydrophobicContact CE2-CB 4.3Å; F317-L319 PolarHBondContact O-N 2.86Å; F317-E323 WeakPolarHBondContact CE2-O 3.44Å; F317-E323 WeakPolarHBondContact CZ-O 3.32Å; F317-P325 HydrophobicContact CD2-CB 4.14Å; F317-P325 HydrophobicContact CD2-CG 3.72Å; F317-P325 HydrophobicContact CE2-CG 4.09Å
318	K	50.9	Low	58.6	Low	84 Å²	84	63 Å²	63	37%	0.365	33%	0.331	S	S	.	.			trans	-71	132.9	174.9	-80.5	171.4	178	179.7	0	109.6	N320 E323	K318-N320 PolarHBondContact O-N 2.89Å; K318-E323 HydrophobicContact CB-CB 4.35Å; K318-E323 VanDerWaalsContact CD-OE1 3.3Å; K318-E323 WeakPolarHBondContact CD-OE1 3.23Å; K318-E323 WeakPolarHBondContact CD-OE2 3.27Å; K318-E323 WeakPolarHBondContact CE-OE2 3.47Å; K318-E323 IonicContact NZ-OE2 3.14Å; K318-E323 PolarHBondContact NZ-OE2 3.08Å
319	L	41.4	Very low	59.2	Low	121 Å²	121	59.7 Å²	59.7	63%	0.634	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-2	-170.2	-65.9	164	0	0	0	114.6	K286 F317 G321	K286-L319 PolarHBondContact NZ-O 3.38Å; F317-L319 PolarHBondContact O-N 2.86Å; L319-G321 VanDerWaalsContact C-N 3.29Å; L319-G321 PolarHBondContact O-N 3.38Å
320	N	38.9	Very low	59.5	Low	106 Å²	106	57 Å²	57	57%	0.567	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-20.3	-177.2	-59.5	-19.3	0	0	0	113.1	K318 N322 E323	K318-N320 PolarHBondContact O-N 2.89Å; N320-N322 PolarHBondContact O-N 3.37Å; N320-E323 PolarHBondContact ND2-OE1 3.41Å
321	G	35.2	Very low	59.6	Low	14 Å²	14	51 Å²	51	14%	0.144	29%	0.292	C	S	.	.	S	Bend	trans	80.4	-9.4	178.3	0	0	0	0	0	115.3	V283 L319	V283-G321 WeakPolarHBondContact CG2-O 3.47Å; L319-G321 VanDerWaalsContact C-N 3.29Å; L319-G321 PolarHBondContact O-N 3.38Å
322	N	40.6	Very low	59.5	Low	154 Å²	154	53.9 Å²	53.9	82%	0.824	31%	0.309	S	S	*	.	S	Bend	trans	-104.5	2.3	-177	-62.3	-7.9	0	0	0	113.4	N320	N320-N322 PolarHBondContact O-N 3.37Å
323	E	50.8	Low	59.4	Low	60 Å²	60	55.5 Å²	55.5	28%	0.28	31%	0.314	S	S	.	.	S	Bend	trans	-119.1	135.1	-169.2	-68.4	177.2	-96.1	0	0	111.6	F317 K318 N320	F317-E323 WeakPolarHBondContact CE2-O 3.44Å; F317-E323 WeakPolarHBondContact CZ-O 3.32Å; K318-E323 HydrophobicContact CB-CB 4.35Å; K318-E323 VanDerWaalsContact CD-OE1 3.3Å; K318-E323 WeakPolarHBondContact CD-OE1 3.23Å; K318-E323 WeakPolarHBondContact CD-OE2 3.27Å; K318-E323 WeakPolarHBondContact CE-OE2 3.47Å; K318-E323 IonicContact NZ-OE2 3.14Å; K318-E323 PolarHBondContact NZ-OE2 3.08Å; N320-E323 PolarHBondContact ND2-OE1 3.41Å
324	I	55.6	Low	59.2	Low	62 Å²	62	57.1 Å²	57.1	32%	0.318	32%	0.316	S	S	.	.			trans	-65.9	144.4	177.1	-61.7	169.6	0	0	0	109	S326 P336 V340	I324-S326 WeakPolarHBondContact O-CB 3.49Å; I324-S326 PolarHBondContact O-N 3.05Å; I324-S326 PolarHBondContact O-OG 3.14Å; I324-P336 HydrophobicContact CB-CB 4.42Å; I324-P336 HydrophobicContact CG2-CB 3.73Å; I324-V340 HydrophobicContact CD1-CG2 3.78Å; I324-V340 HydrophobicContact CG1-CG2 4.35Å
325	P	59.6	Low	59.3	Low	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-53.6	127.5	175	-16.1	23.7	0	0	0	109.9	I274 Y295 T316 F317 P336 C337 F338	I274-P325 HydrophobicContact CD1-CG 4.01Å; Y295-P325 HydrophobicContact CD2-CB 3.95Å; Y295-P325 HydrophobicContact CD2-CG 4.45Å; Y295-P325 HydrophobicContact CE2-CB 4.28Å; Y295-P325 HydrophobicContact CE2-CG 4.38Å; Y295-P325 HydrophobicContact CG-CB 4.42Å; T316-P325 CarbonylContact O-C 3.43Å; T316-P325 VanDerWaalsContact O-CA 3.31Å; T316-P325 WeakPolarHBondContact O-CA 3.36Å; F317-P325 HydrophobicContact CD2-CB 4.14Å; F317-P325 HydrophobicContact CD2-CG 3.72Å; F317-P325 HydrophobicContact CE2-CG 4.09Å; P325-P336 CarbonylContact O-C 3.6Å; P325-C337 WeakPolarHBondContact O-CB 3.5Å; P325-C337 PolarHBondContact O-N 3.34Å; P325-F338 HydrophobicContact CB-CD2 4.19Å; P325-F338 HydrophobicContact CB-CE2 4.25Å; P325-F338 HydrophobicContact CG-CD2 4.05Å; P325-F338 HydrophobicContact CG-CE2 4.27Å
326	S	70.3	Confident	59.4	Low	11 Å²	11	58 Å²	58	8%	0.077	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	161.3	-165.4	42.2	0	0	0	0	112.6	T316 I324 E335	T316-S326 PolarHBondContact N-O 2.67Å; T316-S326 PolarHBondContact O-N 3Å; T316-S326 PolarHBondContact OG1-O 2.6Å; I324-S326 WeakPolarHBondContact O-CB 3.49Å; I324-S326 PolarHBondContact O-N 3.05Å; I324-S326 PolarHBondContact O-OG 3.14Å; S326-E335 WeakPolarHBondContact CA-O 3.23Å; S326-E335 WeakPolarHBondContact CB-O 3.25Å
327	C	70.4	Confident	59.8	Low	4 Å²	4	56.7 Å²	56.7	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	163.3	174.9	67.7	0	0	0	0	111.3	T299 C305 I314 I334 E335	T299-C327 VanDerWaalsContact CG2-SG 3.54Å; C305-C327 WeakPolarHBondContact CA-SG 3.21Å; C305-C327 HydrophobicContact CB-CB 3.61Å; C305-C327 WeakPolarHBondContact CB-SG 3.37Å; C305-C327 WeakPolarHBondContact SG-CB 3.49Å; C305-C327 CovalentContact SG-SG 2.03Å; C305-C327 PolarHBondContact SG-SG 3.15Å; I314-C327 VanDerWaalsContact O-CB 3.23Å; I314-C327 WeakPolarHBondContact O-CB 3.48Å; C327-I334 WeakPolarHBondContact O-CA 3.21Å; C327-E335 PolarHBondContact N-O 3.49Å; C327-E335 VanDerWaalsContact N-O 3.07Å; C327-E335 PolarHBondContact O-N 3.34Å
328	H	79.7	Confident	59.7	Low	23 Å²	23	56.5 Å²	56.5	11%	0.106	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.4	170.7	-73.8	-101	0	0	0	110.9	C305 K306 Y308 T311 N333	C305-H328 CarbonylContact C-O 3.58Å; C305-H328 WeakPolarHBondContact CA-O 3.36Å; K306-H328 PolarHBondContact N-O 3.22Å; Y308-H328 VanDerWaalsContact CB-CG 3.4Å; Y308-H328 AromaticContact CD1-CE1 3.37Å; Y308-H328 WeakPolarHBondContact CD1-CE1 3.29Å; Y308-H328 AromaticContact CD1-ND1 3.63Å; Y308-H328 AromaticContact CD1-NE2 3.82Å; Y308-H328 HydrophobicContact CG-CB 4.41Å; Y308-H328 AromaticContact CG-CE1 3.72Å; Y308-H328 AromaticContact CG-CG 3.85Å; Y308-H328 AromaticContact CG-ND1 3.45Å; T311-H328 PolarHBondContact OG1-CD2 3.12Å; T311-H328 VanDerWaalsContact OG1-CD2 3.31Å; H328-N333 CarbonylContact C-O 3.52Å; H328-N333 VanDerWaalsContact CA-O 3.28Å; H328-N333 WeakPolarHBondContact CA-O 3.38Å
329	T	78.7	Confident	59.5	Low	9 Å²	9	54.9 Å²	54.9	6%	0.055	31%	0.311	C	S	.	.			trans	-114.2	-133.7	170.4	60.1	0	0	0	0	110.1	T299 H303 G331 N333 E335	T299-T329 HydrophobicContact CG2-CG2 3.43Å; T299-T329 VanDerWaalsContact CG2-CG2 3.43Å; H303-T329 HydrophobicContact CB-CG2 3.84Å; T329-G331 PolarHBondContact O-N 2.89Å; T329-N333 PolarHBondContact N-O 2.93Å; T329-N333 WeakPolarHBondContact OG1-CB 3.26Å; T329-E335 HydrophobicContact CG2-CB 4.23Å; T329-E335 VanDerWaalsContact CG2-CD 3.47Å; T329-E335 HydrophobicContact CG2-CG 4.13Å; T329-E335 WeakPolarHBondContact CG2-OE1 3.27Å; T329-E335 PolarHBondContact OG1-OE1 3.39Å
330	D	74.5	Confident	59.7	Low	106 Å²	106	51.3 Å²	51.3	57%	0.567	29%	0.294	S	S	*	.	S	Bend	trans	-75.5	121.8	178.5	-92.6	-59.9	0	0	0	111.6	K306 N333	K306-D330 WeakPolarHBondContact CE-OD2 3.48Å; K306-D330 IonicContact NZ-OD1 2.67Å; K306-D330 PolarHBondContact NZ-OD1 3.34Å; K306-D330 IonicContact NZ-OD2 2.69Å; K306-D330 PolarHBondContact NZ-OD2 2.73Å; D330-N333 PolarHBondContact O-ND2 3.39Å
331	G	64.8	Low	59.8	Low	51 Å²	51	47.6 Å²	47.6	53%	0.526	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	-136.7	-176.3	0	0	0	0	0	112.8	T329 N333	T329-G331 PolarHBondContact O-N 2.89Å; G331-N333 VanDerWaalsContact C-N 3.34Å
332	T	58.9	Low	60	Low	103 Å²	103	56.4 Å²	56.4	63%	0.632	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	2	179.4	50.6	0	0	0	0	113.6	Y308 I334	Y308-T332 HydrophobicContact CE2-CG2 4.21Å; T332-I334 PolarHBondContact O-N 2.75Å
333	N	62.1	Low	59.8	Low	98 Å²	98	54.2 Å²	54.2	52%	0.524	29%	0.288	S	S	.	.			trans	-63.1	121.7	-178.6	-70.7	-57.9	0	0	0	110.7	H328 T329 D330 G331	H328-N333 CarbonylContact C-O 3.52Å; H328-N333 VanDerWaalsContact CA-O 3.28Å; H328-N333 WeakPolarHBondContact CA-O 3.38Å; T329-N333 PolarHBondContact N-O 2.93Å; T329-N333 WeakPolarHBondContact OG1-CB 3.26Å; D330-N333 PolarHBondContact O-ND2 3.39Å; G331-N333 VanDerWaalsContact C-N 3.34Å
334	I	69	Low	59	Low	79 Å²	79	58.4 Å²	58.4	41%	0.405	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	125.6	171.1	-62.8	173.8	0	0	0	107.8	C327 T332	C327-I334 WeakPolarHBondContact O-CA 3.21Å; T332-I334 PolarHBondContact O-N 2.75Å
335	E	67.5	Low	57.9	Low	24 Å²	24	57.7 Å²	57.7	11%	0.112	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.8	-178.7	-76.1	174.4	-142.5	0	0	111.1	T299 Y301 H303 S326 C327 T329	T299-E335 VanDerWaalsContact CB-OE2 3.26Å; T299-E335 WeakPolarHBondContact CB-OE2 3.31Å; T299-E335 HydrophobicContact CG2-CB 3.49Å; T299-E335 VanDerWaalsContact CG2-CB 3.49Å; T299-E335 HydrophobicContact CG2-CG 4.34Å; T299-E335 WeakPolarHBondContact CG2-OE2 3.35Å; T299-E335 PolarHBondContact OG1-OE2 2.78Å; Y301-E335 HydrophobicContact CD2-CB 4.31Å; Y301-E335 HydrophobicContact CD2-CG 4.06Å; Y301-E335 WeakPolarHBondContact CD2-OE2 3.36Å; Y301-E335 HydrophobicContact CE2-CG 4.41Å; H303-E335 IonicContact CE1-OE1 3.93Å; H303-E335 IonicContact CE1-OE2 2.76Å; H303-E335 IonicContact CG-OE1 2.74Å; H303-E335 IonicContact CG-OE2 2.74Å; H303-E335 VanDerWaalsContact ND1-CD 3.26Å; H303-E335 IonicContact ND1-OE1 3.26Å; H303-E335 PolarHBondContact ND1-OE1 2.66Å; H303-E335 IonicContact ND1-OE2 2.76Å; H303-E335 PolarHBondContact ND1-OE2 2.04Å; S326-E335 WeakPolarHBondContact CA-O 3.23Å; S326-E335 WeakPolarHBondContact CB-O 3.25Å; C327-E335 PolarHBondContact N-O 3.49Å; C327-E335 VanDerWaalsContact N-O 3.07Å; C327-E335 PolarHBondContact O-N 3.34Å; T329-E335 HydrophobicContact CG2-CB 4.23Å; T329-E335 VanDerWaalsContact CG2-CD 3.47Å; T329-E335 HydrophobicContact CG2-CG 4.13Å; T329-E335 WeakPolarHBondContact CG2-OE1 3.27Å; T329-E335 PolarHBondContact OG1-OE1 3.39Å
336	P	65.7	Low	56.7	Low	33 Å²	33	60.3 Å²	60.3	21%	0.214	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	145	170.3	29.1	-35.3	0	0	0	110	A300 Y301 I324 P325	A300-P336 HydrophobicContact CB-CG 4.41Å; A300-P336 WeakPolarHBondContact CB-O 3.1Å; A300-P336 PolarHBondContact N-O 3.39Å; Y301-P336 HydrophobicContact CE2-CG 4Å; I324-P336 HydrophobicContact CB-CB 4.42Å; I324-P336 HydrophobicContact CG2-CB 3.73Å; P325-P336 CarbonylContact O-C 3.6Å
337	C	64.2	Low	55	Low	2 Å²	2	64.3 Å²	64.3	1%	0.014	34%	0.339	C	S	.	.	S	Bend	trans	-94.1	-18.6	-177.3	-74.7	0	0	0	0	114.7	A300 C315 P325	A300-C337 PolarHBondContact N-O 2.75Å; C315-C337 VanDerWaalsContact CA-SG 3.54Å; C315-C337 HydrophobicContact CB-CB 3.51Å; C315-C337 WeakPolarHBondContact CB-SG 3.21Å; C315-C337 WeakPolarHBondContact SG-CB 3.27Å; C315-C337 CovalentContact SG-SG 2Å; C315-C337 PolarHBondContact SG-SG 3.45Å; P325-C337 WeakPolarHBondContact O-CB 3.5Å; P325-C337 PolarHBondContact O-N 3.34Å
338	F	54.8	Low	53.4	Low	43 Å²	43	67 Å²	67	19%	0.189	35%	0.353	C	S	.	.	S	Bend	trans	-129.1	138.8	169.6	-53.3	-77.5	0	0	0	108.9	I274 Y295 P325	I274-F338 HydrophobicContact CB-CB 3.95Å; I274-F338 HydrophobicContact CB-CD2 4.34Å; I274-F338 HydrophobicContact CB-CG 4.28Å; I274-F338 HydrophobicContact CG2-CB 3.76Å; I274-F338 HydrophobicContact CG2-CG 4.48Å; Y295-F338 AromaticContact CD1-CE2 3.61Å; Y295-F338 HydrophobicContact CD1-CE2 3.61Å; Y295-F338 AromaticContact CD1-CZ 3.81Å; Y295-F338 HydrophobicContact CD1-CZ 3.81Å; Y295-F338 HydrophobicContact CE1-CE2 4.45Å; Y295-F338 AromaticContact CG-CE2 3.73Å; Y295-F338 HydrophobicContact CG-CE2 3.73Å; Y295-F338 HydrophobicContact CG-CZ 4.09Å; P325-F338 HydrophobicContact CB-CD2 4.19Å; P325-F338 HydrophobicContact CB-CE2 4.25Å; P325-F338 HydrophobicContact CG-CD2 4.05Å; P325-F338 HydrophobicContact CG-CE2 4.27Å
339	P	47.1	Very low	51.4	Low	49 Å²	49	68.6 Å²	68.6	32%	0.318	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.6	151.9	156.4	26	-30.8	0	0	0	109.7	G272 C273 I274	G272-P339 WeakPolarHBondContact O-CD 3.21Å; C273-P339 CarbonylContact C-O 3.55Å; C273-P339 WeakPolarHBondContact CA-O 3.39Å; C273-P339 HydrophobicContact CB-CB 4.36Å; C273-P339 HydrophobicContact CB-CG 3.92Å; C273-P339 WeakPolarHBondContact CB-O 3.39Å; I274-P339 PolarHBondContact N-O 2.84Å
340	V	45.3	Very low	49.7	Very low	47 Å²	47	70.1 Å²	70.1	29%	0.285	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.4	175.2	-178.4	0	0	0	0	109.6	I274 E276 M279 I324 R342	I274-V340 HydrophobicContact CG2-CG2 4.36Å; I274-V340 CarbonylContact O-C 3.51Å; I274-V340 VanDerWaalsContact O-CA 3.24Å; I274-V340 WeakPolarHBondContact O-CA 3.3Å; E276-V340 HydrophobicContact CG-CG1 4.03Å; M279-V340 HydrophobicContact SD-CG1 3.93Å; M279-V340 HydrophobicContact SD-CG2 3.84Å; I324-V340 HydrophobicContact CD1-CG2 3.78Å; I324-V340 HydrophobicContact CG1-CG2 4.35Å; V340-R342 PolarHBondContact O-N 2.85Å
341	C	41.1	Very low	48.1	Very low	27 Å²	27	67.1 Å²	67.1	18%	0.182	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.9	168.4	-39.6	0	0	0	0	108	C273 I274	C273-C341 HydrophobicContact CB-CB 4Å; C273-C341 WeakPolarHBondContact CB-SG 3.32Å; C273-C341 PolarHBondContact O-SG 3.46Å; C273-C341 VanDerWaalsContact O-SG 3.36Å; C273-C341 VanDerWaalsContact SG-CA 3.59Å; C273-C341 WeakPolarHBondContact SG-CB 3.46Å; C273-C341 CovalentContact SG-SG 2.03Å; C273-C341 PolarHBondContact SG-SG 2.77Å; I274-C341 PolarHBondContact O-N 3.44Å
342	R	38.5	Very low	47	Very low	199 Å²	199	69.9 Å²	69.9	75%	0.751	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-71.7	140.2	160.9	-77.4	-173.7	169	-174.7	-5.3	108.8	V340	V340-R342 PolarHBondContact O-N 2.85Å
343	K	37.2	Very low	46.4	Very low	109 Å²	109	70.4 Å²	70.4	47%	0.474	34%	0.341	S	S	.	.	S	Bend	trans	-66.2	165.9	158.1	-114.3	167.9	170.5	168	0	108.4	H186 D277	H186-K343 PolarHBondContact CE1-NZ 2.91Å; H186-K343 PolarHBondContact NE2-NZ 3.33Å; D277-K343 IonicContact OD1-NZ 2.62Å; D277-K343 WeakPolarHBondContact OD2-CE 3.44Å; D277-K343 IonicContact OD2-NZ 2.68Å; D277-K343 PolarHBondContact OD2-NZ 3.25Å
344	H	33.8	Very low	45.5	Very low	147 Å²	147	68.7 Å²	68.7	68%	0.681	33%	0.332	S	S	*	.	S	Bend	trans	76	123	-170.9	-47.8	-82.7	0	0	0	113.8
345	D	33.4	Very low	44.2	Very low	48 Å²	48	65.8 Å²	65.8	26%	0.257	32%	0.321	S	S	.	.			trans	31.8	116.8	-175.1	-145	-70.2	0	0	0	120.8	Q347 L348 N349 L432	D345-Q347 VanDerWaalsContact C-N 3.28Å; D345-Q347 PolarHBondContact O-N 2.75Å; D345-Q347 WeakPolarHBondContact OD1-CB 3.25Å; D345-Q347 PolarHBondContact OD1-N 3.27Å; D345-L348 HydrophobicContact CB-CB 4.33Å; D345-L348 HydrophobicContact CB-CD1 3.88Å; D345-L348 HydrophobicContact CB-CG 3.94Å; D345-L348 PolarHBondContact O-N 3.34Å; D345-N349 PolarHBondContact O-ND2 3.25Å; D345-N349 VanDerWaalsContact O-ND2 3.09Å; D345-L432 HydrophobicContact CB-CD1 3.99Å; D345-L432 WeakPolarHBondContact OD2-CD1 3.38Å
346	P	33.3	Very low	43.3	Very low	54 Å²	54	68.9 Å²	68.9	35%	0.351	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-54.6	-34.8	171.3	-26.8	36.6	0	0	0	115.2	S268	S268-P346 WeakPolarHBondContact O-CB 3.41Å; S268-P346 WeakPolarHBondContact O-CG 3.45Å
347	Q	34.7	Very low	42.8	Very low	96 Å²	96	72.6 Å²	72.6	45%	0.449	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-76.9	-22.3	-175.3	-54.9	-171.7	16.3	0	0	113.1	D345 N349 H350 Y429	D345-Q347 VanDerWaalsContact C-N 3.28Å; D345-Q347 PolarHBondContact O-N 2.75Å; D345-Q347 WeakPolarHBondContact OD1-CB 3.25Å; D345-Q347 PolarHBondContact OD1-N 3.27Å; Q347-N349 VanDerWaalsContact C-N 3.34Å; Q347-H350 PolarHBondContact O-CD2 2.99Å; Q347-Y429 VanDerWaalsContact NE2-CZ 3.26Å; Q347-Y429 PolarHBondContact NE2-OH 3.32Å
348	L	37.9	Very low	42.7	Very low	60 Å²	60	75.9 Å²	75.9	31%	0.314	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-79.7	-11.5	179.1	-68.2	178.7	0	0	0	114.3	D345 H350 I351 L432	D345-L348 HydrophobicContact CB-CB 4.33Å; D345-L348 HydrophobicContact CB-CD1 3.88Å; D345-L348 HydrophobicContact CB-CG 3.94Å; D345-L348 PolarHBondContact O-N 3.34Å; L348-H350 PolarHBondContact O-N 3.08Å; L348-I351 HydrophobicContact CD2-CD1 3.83Å; L348-I351 WeakPolarHBondContact O-CG1 3.36Å; L348-I351 PolarHBondContact O-N 3.03Å; L348-L432 HydrophobicContact CD1-CB 4.2Å; L348-L432 HydrophobicContact CD1-CD1 4.27Å; L348-L432 HydrophobicContact CD1-CD2 4.35Å; L348-L432 HydrophobicContact CD2-CB 4.15Å; L348-L432 WeakPolarHBondContact CD2-O 3.24Å; L348-L432 HydrophobicContact CG-CB 4.49Å
349	N	36.2	Very low	43	Very low	57 Å²	57	78.4 Å²	78.4	31%	0.305	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-66.2	-10.6	-175.4	-83.4	-84.6	0	0	0	114.3	D345 Q347 I351	D345-N349 PolarHBondContact O-ND2 3.25Å; D345-N349 VanDerWaalsContact O-ND2 3.09Å; Q347-N349 VanDerWaalsContact C-N 3.34Å; N349-I351 VanDerWaalsContact C-N 3.34Å
350	H	43.7	Very low	44	Very low	41 Å²	41	83.7 Å²	83.7	19%	0.19	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-83.3	-6.9	177.9	-54.5	-55.1	0	0	0	114.1	H270 Q347 L348 F377 I378	H270-H350 AromaticContact NE2-CE1 3.43Å; H270-H350 PolarHBondContact NE2-CE1 2.79Å; Q347-H350 PolarHBondContact O-CD2 2.99Å; L348-H350 PolarHBondContact O-N 3.08Å; H350-F377 CarbonylContact O-C 3.54Å; H350-F377 WeakPolarHBondContact O-CA 3.27Å; H350-I378 PolarHBondContact O-N 3.1Å
351	I	40.9	Very low	45.1	Very low	42 Å²	42	84.6 Å²	84.6	22%	0.215	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.4	-163.8	-47.3	-169.1	0	0	0	110.7	L348 N349 I378 F380 L433	L348-I351 HydrophobicContact CD2-CD1 3.83Å; L348-I351 WeakPolarHBondContact O-CG1 3.36Å; L348-I351 PolarHBondContact O-N 3.03Å; N349-I351 VanDerWaalsContact C-N 3.34Å; I351-I378 HydrophobicContact CD1-CD1 3.88Å; I351-I378 HydrophobicContact CG1-CB 4.27Å; I351-I378 HydrophobicContact CG1-CD1 3.83Å; I351-I378 HydrophobicContact CG1-CG1 4.17Å; I351-I378 HydrophobicContact CG2-CB 4.34Å; I351-F380 HydrophobicContact CG2-CD2 3.92Å; I351-F380 HydrophobicContact CG2-CE2 3.31Å; I351-F380 HydrophobicContact CG2-CZ 3.95Å; I351-L433 HydrophobicContact CD1-CD1 3.5Å; I351-L433 VanDerWaalsContact CD1-CD1 3.5Å; I351-L433 HydrophobicContact CD1-CG 4.2Å
352	R	42.3	Very low	46.3	Very low	110 Å²	110	83.4 Å²	83.4	42%	0.415	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.6	179.4	-68.7	-170.4	174.8	-149.4	-2.3	112.1	L354 I378 L379 F380	R352-L354 HydrophobicContact CB-CD2 3.96Å; R352-L354 HydrophobicContact CB-CG 4.15Å; R352-L354 PolarHBondContact O-N 2.82Å; R352-L354 VanDerWaalsContact O-N 3.16Å; R352-I378 PolarHBondContact N-O 2.86Å; R352-L379 HydrophobicContact CB-CD2 4.25Å; R352-L379 WeakPolarHBondContact O-CA 3.44Å; R352-F380 PolarHBondContact O-N 3.24Å; R352-F380 VanDerWaalsContact O-N 3.13Å
353	H	44.7	Very low	47.7	Very low	113 Å²	113	77 Å²	77	52%	0.523	36%	0.363	S	S	.	.			trans	-80.1	89.7	166.8	-176.7	-76.4	0	0	0	109.9	G355 F380	H353-G355 PolarHBondContact O-N 2.83Å; H353-F380 HydrophobicContact CB-CB 4.34Å; H353-F380 HydrophobicContact CB-CD2 4.46Å
354	L	44.9	Very low	49.4	Very low	62 Å²	62	75.1 Å²	75.1	33%	0.325	36%	0.361	S	S	.	.			trans	-82.4	7.4	-178.9	-64.2	-171.2	0	0	0	114.1	R352 R357 I365 L379	R352-L354 HydrophobicContact CB-CD2 3.96Å; R352-L354 HydrophobicContact CB-CG 4.15Å; R352-L354 PolarHBondContact O-N 2.82Å; R352-L354 VanDerWaalsContact O-N 3.16Å; L354-R357 HydrophobicContact CB-CG 4.45Å; L354-I365 HydrophobicContact CD1-CD1 3.87Å; L354-I365 HydrophobicContact CD1-CG2 4.16Å; L354-L379 HydrophobicContact CD1-CD1 4.15Å; L354-L379 HydrophobicContact CD1-CD2 3.56Å; L354-L379 HydrophobicContact CD1-CG 4.35Å; L354-L379 HydrophobicContact CG-CD2 3.96Å
355	G	41	Very low	50.9	Low	18 Å²	18	70.2 Å²	70.2	19%	0.186	34%	0.339	C	S	.	.			trans	70.7	-171.9	-168.7	0	0	0	0	0	111.9	H353 R357	H353-G355 PolarHBondContact O-N 2.83Å; G355-R357 PolarHBondContact O-N 2.93Å
356	H	47.6	Very low	52.4	Low	90 Å²	90	68.2 Å²	68.2	42%	0.417	33%	0.328	S	S	.	.	S	Bend	trans	-64.8	127.2	175	-178.2	-78.3	0	0	0	111.4	S382	H356-S382 PolarHBondContact N-OG 3.5Å; H356-S382 VanDerWaalsContact N-OG 3.13Å
357	R	56.8	Low	54	Low	111 Å²	111	68.4 Å²	68.4	42%	0.419	33%	0.331	S	S	.	.			trans	-139.2	147.4	175.6	-66.1	-67.7	174.4	174.5	-2.5	109	L354 G355 E361 L362	L354-R357 HydrophobicContact CB-CG 4.45Å; G355-R357 PolarHBondContact O-N 2.93Å; R357-E361 HydrophobicContact CB-CB 4.2Å; R357-E361 WeakPolarHBondContact CD-OE1 3.31Å; R357-E361 IonicContact CZ-OE1 3.7Å; R357-E361 IonicContact NE-OE1 3.68Å; R357-E361 IonicContact NH1-OE1 3.99Å; R357-E361 PolarHBondContact NH1-OE1 2.62Å; R357-L362 HydrophobicContact CB-CD1 4.1Å; R357-L362 HydrophobicContact CB-CD2 3.75Å; R357-L362 HydrophobicContact CB-CG 3.69Å; R357-L362 HydrophobicContact CG-CD2 4.34Å; R357-L362 WeakPolarHBondContact O-CD1 3.06Å
358	T	61.2	Low	55.4	Low	70 Å²	70	68.7 Å²	68.7	43%	0.429	33%	0.331	S	S	.	.			trans	-70.6	154.6	174	59.6	0	0	0	0	111.4	K360 E361 L362	T358-K360 PolarHBondContact O-N 3.48Å; T358-K360 VanDerWaalsContact O-N 3.16Å; T358-E361 WeakPolarHBondContact CB-OE2 3.41Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.49Å; T358-E361 PolarHBondContact N-OE2 3.11Å; T358-E361 WeakPolarHBondContact O-CB 3.3Å; T358-E361 PolarHBondContact O-N 2.97Å; T358-E361 WeakPolarHBondContact OG1-CG 3.45Å; T358-E361 PolarHBondContact OG1-N 2.68Å; T358-E361 PolarHBondContact OG1-OE2 3.13Å; T358-L362 WeakPolarHBondContact O-CG 3.06Å; T358-L362 PolarHBondContact O-N 3.46Å
359	R	61.9	Low	56.3	Low	96 Å²	96	65.9 Å²	65.9	36%	0.362	32%	0.316	S	S	.	.	H	α-helix	trans	-48.5	-43.3	173.6	-179.2	-179.7	173.7	123.1	23.3	112.1	L362 E363 F413 N414	R359-L362 PolarHBondContact O-N 3.21Å; R359-E363 HydrophobicContact CG-CG 4.33Å; R359-E363 IonicContact CZ-OE1 3.87Å; R359-E363 VanDerWaalsContact CZ-OE1 3.26Å; R359-E363 IonicContact NE-OE1 2.93Å; R359-E363 PolarHBondContact NE-OE1 3.25Å; R359-E363 IonicContact NE-OE2 3.75Å; R359-E363 IonicContact NH2-OE1 3.4Å; R359-E363 PolarHBondContact NH2-OE1 2.92Å; R359-E363 WeakPolarHBondContact O-CB 3.28Å; R359-E363 WeakPolarHBondContact O-CG 3.37Å; R359-E363 PolarHBondContact O-N 2.9Å; R359-F413 HydrophobicContact CB-CD1 4.5Å; R359-F413 HydrophobicContact CB-CE1 4.21Å; R359-F413 HydrophobicContact CG-CD1 4.15Å; R359-F413 HydrophobicContact CG-CE1 4.36Å; R359-F413 PolarHBondContact NH1-O 3.17Å; R359-F413 PolarHBondContact NH2-O 3.29Å; R359-N414 PolarHBondContact NH2-OD1 3.32Å; R359-N414 VanDerWaalsContact NH2-OD1 3.15Å
360	K	68.2	Low	57.3	Low	160 Å²	160	65.1 Å²	65.1	70%	0.696	32%	0.315	S	S	*	.	H	α-helix	trans	-67	-37.2	179.1	-170.4	176.1	-178.3	179.2	0	113.2	T358 T364	T358-K360 PolarHBondContact O-N 3.48Å; T358-K360 VanDerWaalsContact O-N 3.16Å; K360-T364 WeakPolarHBondContact O-CB 3.27Å; K360-T364 PolarHBondContact O-N 3.42Å; K360-T364 PolarHBondContact O-OG1 3.36Å
361	E	66.9	Low	57.8	Low	67 Å²	67	70.2 Å²	70.2	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-43.4	170.6	-76.8	166.4	96.8	0	0	111.1	R357 T358 T364 I365	R357-E361 HydrophobicContact CB-CB 4.2Å; R357-E361 WeakPolarHBondContact CD-OE1 3.31Å; R357-E361 IonicContact CZ-OE1 3.7Å; R357-E361 IonicContact NE-OE1 3.68Å; R357-E361 IonicContact NH1-OE1 3.99Å; R357-E361 PolarHBondContact NH1-OE1 2.62Å; T358-E361 WeakPolarHBondContact CB-OE2 3.41Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.49Å; T358-E361 PolarHBondContact N-OE2 3.11Å; T358-E361 WeakPolarHBondContact O-CB 3.3Å; T358-E361 PolarHBondContact O-N 2.97Å; T358-E361 WeakPolarHBondContact OG1-CG 3.45Å; T358-E361 PolarHBondContact OG1-N 2.68Å; T358-E361 PolarHBondContact OG1-OE2 3.13Å; E361-T364 CarbonylContact O-C 3.51Å; E361-T364 WeakPolarHBondContact O-CA 3.49Å; E361-T364 WeakPolarHBondContact O-CB 3.41Å; E361-T364 PolarHBondContact O-N 2.89Å; E361-T364 VanDerWaalsContact O-N 3.14Å; E361-I365 WeakPolarHBondContact O-CD1 3.21Å; E361-I365 WeakPolarHBondContact O-CG1 3.35Å; E361-I365 PolarHBondContact O-N 2.84Å
362	L	66.4	Low	58.1	Low	2 Å²	2	72.3 Å²	72.3	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-66.8	-41.8	-178.2	-65.9	161.4	0	0	0	111.8	R357 T358 R359 T364 I365 E366 L379 Y392	R357-L362 HydrophobicContact CB-CD1 4.1Å; R357-L362 HydrophobicContact CB-CD2 3.75Å; R357-L362 HydrophobicContact CB-CG 3.69Å; R357-L362 HydrophobicContact CG-CD2 4.34Å; R357-L362 WeakPolarHBondContact O-CD1 3.06Å; T358-L362 WeakPolarHBondContact O-CG 3.06Å; T358-L362 PolarHBondContact O-N 3.46Å; R359-L362 PolarHBondContact O-N 3.21Å; L362-T364 VanDerWaalsContact C-N 3.32Å; L362-T364 PolarHBondContact O-N 3.37Å; L362-I365 PolarHBondContact O-N 2.89Å; L362-E366 PolarHBondContact O-N 3.02Å; L362-L379 HydrophobicContact CD2-CB 3.7Å; L362-L379 HydrophobicContact CD2-CD1 3.53Å; L362-L379 HydrophobicContact CD2-CG 4.26Å; L362-Y392 HydrophobicContact CB-CD1 3.93Å; L362-Y392 HydrophobicContact CB-CD2 3.54Å; L362-Y392 HydrophobicContact CB-CE1 4.12Å; L362-Y392 HydrophobicContact CB-CE2 3.77Å; L362-Y392 HydrophobicContact CB-CG 3.63Å; L362-Y392 HydrophobicContact CD1-CD2 4.13Å; L362-Y392 HydrophobicContact CD1-CG 4.1Å; L362-Y392 HydrophobicContact CD2-CG 4.35Å; L362-Y392 HydrophobicContact CG-CD2 4.39Å; L362-Y392 HydrophobicContact CG-CG 4.23Å
363	E	68.4	Low	58	Low	65 Å²	65	69.7 Å²	69.7	30%	0.304	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-33.9	169.8	-70.7	169	159.7	0	0	112.2	R359 S367 Y392	R359-E363 HydrophobicContact CG-CG 4.33Å; R359-E363 IonicContact CZ-OE1 3.87Å; R359-E363 VanDerWaalsContact CZ-OE1 3.26Å; R359-E363 IonicContact NE-OE1 2.93Å; R359-E363 PolarHBondContact NE-OE1 3.25Å; R359-E363 IonicContact NE-OE2 3.75Å; R359-E363 IonicContact NH2-OE1 3.4Å; R359-E363 PolarHBondContact NH2-OE1 2.92Å; R359-E363 WeakPolarHBondContact O-CB 3.28Å; R359-E363 WeakPolarHBondContact O-CG 3.37Å; R359-E363 PolarHBondContact O-N 2.9Å; E363-S367 WeakPolarHBondContact O-CB 3.47Å; E363-S367 PolarHBondContact O-N 3.11Å; E363-Y392 WeakPolarHBondContact CA-OH 3.11Å; E363-Y392 HydrophobicContact CG-CE2 3.89Å; E363-Y392 WeakPolarHBondContact CG-OH 3.07Å
364	T	72.3	Confident	57.9	Low	68 Å²	68	66.4 Å²	66.4	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-68.5	-38.5	172	-58.3	0	0	0	0	111.5	K360 E361 L362 K368	K360-T364 WeakPolarHBondContact O-CB 3.27Å; K360-T364 PolarHBondContact O-N 3.42Å; K360-T364 PolarHBondContact O-OG1 3.36Å; E361-T364 CarbonylContact O-C 3.51Å; E361-T364 WeakPolarHBondContact O-CA 3.49Å; E361-T364 WeakPolarHBondContact O-CB 3.41Å; E361-T364 PolarHBondContact O-N 2.89Å; E361-T364 VanDerWaalsContact O-N 3.14Å; L362-T364 VanDerWaalsContact C-N 3.32Å; L362-T364 PolarHBondContact O-N 3.37Å; T364-K368 WeakPolarHBondContact O-CB 3.47Å; T364-K368 WeakPolarHBondContact O-CG 3.28Å; T364-K368 PolarHBondContact O-N 3.04Å
365	I	65.6	Low	57.6	Low	45 Å²	45	65.6 Å²	65.6	23%	0.231	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-45.6	177.4	-68.8	156.6	0	0	0	110.4	L354 E361 L362 K368 A369 F377 L379	L354-I365 HydrophobicContact CD1-CD1 3.87Å; L354-I365 HydrophobicContact CD1-CG2 4.16Å; E361-I365 WeakPolarHBondContact O-CD1 3.21Å; E361-I365 WeakPolarHBondContact O-CG1 3.35Å; E361-I365 PolarHBondContact O-N 2.84Å; L362-I365 PolarHBondContact O-N 2.89Å; I365-K368 PolarHBondContact O-N 3.35Å; I365-A369 VanDerWaalsContact O-CB 3.28Å; I365-A369 WeakPolarHBondContact O-CB 3.43Å; I365-A369 PolarHBondContact O-N 3.15Å; I365-F377 HydrophobicContact CG2-CD2 4.39Å; I365-L379 HydrophobicContact CB-CD1 4.12Å; I365-L379 HydrophobicContact CG2-CD1 3.66Å
366	E	66.2	Low	57.9	Low	5 Å²	5	66.1 Å²	66.1	2%	0.023	34%	0.342	C	S	.	.	H	α-helix	trans	-67.8	-39.6	176.2	-163.7	-156.1	-164.3	0	0	112.1	L362 K368 A369 S370 P376 Y392 G394 T395 K396	L362-E366 PolarHBondContact O-N 3.02Å; E366-K368 VanDerWaalsContact C-N 3.34Å; E366-K368 PolarHBondContact O-N 3.09Å; E366-A369 PolarHBondContact O-N 3.5Å; E366-S370 VanDerWaalsContact O-CB 3.28Å; E366-S370 WeakPolarHBondContact O-CB 3.43Å; E366-S370 PolarHBondContact O-N 3.28Å; E366-P376 HydrophobicContact CG-CB 4.41Å; E366-P376 WeakPolarHBondContact OE1-CB 3.39Å; E366-Y392 HydrophobicContact CB-CE1 3.96Å; E366-Y392 PolarHBondContact OE2-OH 3.39Å; E366-Y392 VanDerWaalsContact OE2-OH 3.1Å; E366-G394 VanDerWaalsContact OE1-CA 3.27Å; E366-G394 WeakPolarHBondContact OE1-CA 3.38Å; E366-T395 PolarHBondContact OE1-N 3.47Å; E366-T395 VanDerWaalsContact OE2-CB 3.32Å; E366-T395 WeakPolarHBondContact OE2-CB 3.33Å; E366-T395 WeakPolarHBondContact OE2-CG2 3Å; E366-T395 PolarHBondContact OE2-N 3.32Å; E366-T395 PolarHBondContact OE2-OG1 3.25Å; E366-K396 PolarHBondContact OE1-N 3.22Å
367	S	65.6	Low	58.1	Low	58 Å²	58	63.3 Å²	63.3	41%	0.406	33%	0.329	S	S	.	.	H	α-helix	trans	-58.3	-47.1	175.1	-175.4	0	0	0	0	110.9	E363 Q371	E363-S367 WeakPolarHBondContact O-CB 3.47Å; E363-S367 PolarHBondContact O-N 3.11Å; S367-Q371 WeakPolarHBondContact O-CB 3.41Å; S367-Q371 WeakPolarHBondContact O-CG 3.28Å; S367-Q371 PolarHBondContact O-N 2.85Å
368	K	65.3	Low	57.7	Low	102 Å²	102	58.6 Å²	58.6	44%	0.443	31%	0.311	S	S	.	.	H	α-helix	trans	-63.3	-44.2	173.3	-73.3	-177.4	174.7	-161.9	0	112.7	T364 I365 E366 S370 Q371 Q372	T364-K368 WeakPolarHBondContact O-CB 3.47Å; T364-K368 WeakPolarHBondContact O-CG 3.28Å; T364-K368 PolarHBondContact O-N 3.04Å; I365-K368 PolarHBondContact O-N 3.35Å; E366-K368 VanDerWaalsContact C-N 3.34Å; E366-K368 PolarHBondContact O-N 3.09Å; K368-S370 PolarHBondContact O-N 3.26Å; K368-Q371 PolarHBondContact O-N 3.19Å; K368-Q372 VanDerWaalsContact O-CG 3.25Å; K368-Q372 WeakPolarHBondContact O-CG 3.49Å; K368-Q372 PolarHBondContact O-N 3.11Å
369	A	56.6	Low	57.1	Low	2 Å²	2	55.3 Å²	55.3	2%	0.017	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-44.4	178.5	0	0	0	0	0	112.3	I365 E366 Q372 G373 V374 F377	I365-A369 VanDerWaalsContact O-CB 3.28Å; I365-A369 WeakPolarHBondContact O-CB 3.43Å; I365-A369 PolarHBondContact O-N 3.15Å; E366-A369 PolarHBondContact O-N 3.5Å; A369-Q372 CarbonylContact O-C 3.46Å; A369-Q372 WeakPolarHBondContact O-CA 3.19Å; A369-Q372 WeakPolarHBondContact O-CB 3.42Å; A369-Q372 PolarHBondContact O-N 2.95Å; A369-Q372 VanDerWaalsContact O-N 3.07Å; A369-G373 PolarHBondContact O-N 3.43Å; A369-V374 HydrophobicContact CB-CB 4.37Å; A369-V374 WeakPolarHBondContact O-CB 3.28Å; A369-V374 PolarHBondContact O-N 2.93Å; A369-F377 HydrophobicContact CB-CD2 3.68Å; A369-F377 HydrophobicContact CB-CE2 3.38Å; A369-F377 HydrophobicContact CB-CZ 4.26Å
370	S	56	Low	56.4	Low	40 Å²	40	52.3 Å²	52.3	28%	0.28	28%	0.281	S	S	.	.	H	α-helix	trans	-71.7	-31.7	179.3	-178.8	0	0	0	0	112.3	E366 K368 Q372 G373 K396	E366-S370 VanDerWaalsContact O-CB 3.28Å; E366-S370 WeakPolarHBondContact O-CB 3.43Å; E366-S370 PolarHBondContact O-N 3.28Å; K368-S370 PolarHBondContact O-N 3.26Å; S370-Q372 PolarHBondContact O-N 3.47Å; S370-G373 PolarHBondContact O-N 3.14Å; S370-K396 WeakPolarHBondContact OG-CD 3.11Å; S370-K396 PolarHBondContact OG-NZ 3.28Å
371	Q	55.4	Low	55.1	Low	148 Å²	148	45.2 Å²	45.2	69%	0.692	25%	0.251	S	S	*	.	H	α-helix	trans	-66.3	-25.5	168	-74.1	167.8	4.1	0	0	112.4	S367 K368 G373	S367-Q371 WeakPolarHBondContact O-CB 3.41Å; S367-Q371 WeakPolarHBondContact O-CG 3.28Å; S367-Q371 PolarHBondContact O-N 2.85Å; K368-Q371 PolarHBondContact O-N 3.19Å; Q371-G373 VanDerWaalsContact C-N 3.34Å
372	Q	46.3	Very low	53.9	Low	86 Å²	86	44.4 Å²	44.4	40%	0.402	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6.7	175.5	-68.2	163.8	5.6	0	0	113.4	Y301 K368 A369 S370 V374	Y301-Q372 VanDerWaalsContact C-NE2 3.26Å; Y301-Q372 PolarHBondContact O-NE2 2.97Å; K368-Q372 VanDerWaalsContact O-CG 3.25Å; K368-Q372 WeakPolarHBondContact O-CG 3.49Å; K368-Q372 PolarHBondContact O-N 3.11Å; A369-Q372 CarbonylContact O-C 3.46Å; A369-Q372 WeakPolarHBondContact O-CA 3.19Å; A369-Q372 WeakPolarHBondContact O-CB 3.42Å; A369-Q372 PolarHBondContact O-N 2.95Å; A369-Q372 VanDerWaalsContact O-N 3.07Å; S370-Q372 PolarHBondContact O-N 3.47Å; Q372-V374 HydrophobicContact CB-CG2 4.07Å; Q372-V374 PolarHBondContact O-N 2.8Å
373	G	40.9	Very low	52.8	Low	55 Å²	55	51.2 Å²	51.2	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	7.3	-179.2	0	0	0	0	0	114.9	A369 S370 Q371	A369-G373 PolarHBondContact O-N 3.43Å; S370-G373 PolarHBondContact O-N 3.14Å; Q371-G373 VanDerWaalsContact C-N 3.34Å
374	V	41.5	Very low	51.6	Low	45 Å²	45	50.4 Å²	50.4	27%	0.273	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-78.3	134.1	179	-167.5	0	0	0	0	109.3	A369 Q372 F377	A369-V374 HydrophobicContact CB-CB 4.37Å; A369-V374 WeakPolarHBondContact O-CB 3.28Å; A369-V374 PolarHBondContact O-N 2.93Å; Q372-V374 HydrophobicContact CB-CG2 4.07Å; Q372-V374 PolarHBondContact O-N 2.8Å; V374-F377 HydrophobicContact CB-CZ 4.38Å; V374-F377 HydrophobicContact CG1-CD1 4.4Å; V374-F377 HydrophobicContact CG1-CE1 3.61Å; V374-F377 HydrophobicContact CG1-CZ 3.69Å
375	P	40.5	Very low	50	Low	44 Å²	44	51.1 Å²	51.1	29%	0.286	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-57.8	150.2	172.7	-25.4	36	0	0	0	111.7	F377	P375-F377 PolarHBondContact O-N 2.59Å; P375-F377 VanDerWaalsContact O-N 3.17Å
376	P	46.2	Very low	48.5	Very low	30 Å²	30	51.9 Å²	51.9	20%	0.195	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-56.7	121.8	-173.9	22.8	-33.7	0	0	0	111.3	E366 M397	E366-P376 HydrophobicContact CG-CB 4.41Å; E366-P376 WeakPolarHBondContact OE1-CB 3.39Å; P376-M397 HydrophobicContact CG-CB 4.36Å; P376-M397 HydrophobicContact CG-CG 4.21Å
377	F	51.8	Low	47	Very low	31 Å²	31	55 Å²	55	14%	0.136	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-68.9	143.6	-177.6	-65.4	-59.1	0	0	0	111.7	H350 I365 A369 V374 P375 L379	H350-F377 CarbonylContact O-C 3.54Å; H350-F377 WeakPolarHBondContact O-CA 3.27Å; I365-F377 HydrophobicContact CG2-CD2 4.39Å; A369-F377 HydrophobicContact CB-CD2 3.68Å; A369-F377 HydrophobicContact CB-CE2 3.38Å; A369-F377 HydrophobicContact CB-CZ 4.26Å; V374-F377 HydrophobicContact CB-CZ 4.38Å; V374-F377 HydrophobicContact CG1-CD1 4.4Å; V374-F377 HydrophobicContact CG1-CE1 3.61Å; V374-F377 HydrophobicContact CG1-CZ 3.69Å; P375-F377 PolarHBondContact O-N 2.59Å; P375-F377 VanDerWaalsContact O-N 3.17Å; F377-L379 HydrophobicContact CB-CD2 3.4Å; F377-L379 HydrophobicContact CB-CG 3.79Å; F377-L379 HydrophobicContact CD2-CD2 4.23Å; F377-L379 HydrophobicContact CG-CD2 4.06Å; F377-L379 PolarHBondContact O-N 2.8Å
378	I	48	Very low	46	Very low	11 Å²	11	53.1 Å²	53.1	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	107.4	157	-45	-171.4	0	0	0	106.8	H350 I351 R352 F380 V391 M397 F403	H350-I378 PolarHBondContact O-N 3.1Å; I351-I378 HydrophobicContact CD1-CD1 3.88Å; I351-I378 HydrophobicContact CG1-CB 4.27Å; I351-I378 HydrophobicContact CG1-CD1 3.83Å; I351-I378 HydrophobicContact CG1-CG1 4.17Å; I351-I378 HydrophobicContact CG2-CB 4.34Å; R352-I378 PolarHBondContact N-O 2.86Å; I378-F380 HydrophobicContact CG2-CD1 4.47Å; I378-F380 HydrophobicContact CG2-CE1 4.25Å; I378-V391 HydrophobicContact CG2-CG1 3.82Å; I378-M397 HydrophobicContact CD1-CE 4.35Å; I378-M397 HydrophobicContact CG1-CE 3.81Å; I378-F403 HydrophobicContact CD1-CD1 4.14Å; I378-F403 HydrophobicContact CD1-CE1 3.26Å; I378-F403 HydrophobicContact CD1-CE2 4.25Å; I378-F403 HydrophobicContact CD1-CZ 3.33Å; I378-F403 HydrophobicContact CG1-CZ 4.28Å
379	L	49.7	Very low	45	Very low	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	106.7	176.7	-55.4	-178.6	0	0	0	107.7	R352 L354 L362 I365 F377 P381 Y392	R352-L379 HydrophobicContact CB-CD2 4.25Å; R352-L379 WeakPolarHBondContact O-CA 3.44Å; L354-L379 HydrophobicContact CD1-CD1 4.15Å; L354-L379 HydrophobicContact CD1-CD2 3.56Å; L354-L379 HydrophobicContact CD1-CG 4.35Å; L354-L379 HydrophobicContact CG-CD2 3.96Å; L362-L379 HydrophobicContact CD2-CB 3.7Å; L362-L379 HydrophobicContact CD2-CD1 3.53Å; L362-L379 HydrophobicContact CD2-CG 4.26Å; I365-L379 HydrophobicContact CB-CD1 4.12Å; I365-L379 HydrophobicContact CG2-CD1 3.66Å; F377-L379 HydrophobicContact CB-CD2 3.4Å; F377-L379 HydrophobicContact CB-CG 3.79Å; F377-L379 HydrophobicContact CD2-CD2 4.23Å; F377-L379 HydrophobicContact CG-CD2 4.06Å; F377-L379 PolarHBondContact O-N 2.8Å; L379-P381 WeakPolarHBondContact O-CD 3.33Å; L379-Y392 HydrophobicContact CB-CD1 4.2Å; L379-Y392 HydrophobicContact CD1-CD1 3.89Å; L379-Y392 HydrophobicContact CD1-CE1 4.31Å; L379-Y392 HydrophobicContact CG-CD1 4.2Å; L379-Y392 PolarHBondContact N-O 3.35Å; L379-Y392 VanDerWaalsContact N-O 3.15Å; L379-Y392 PolarHBondContact O-N 3.15Å
380	F	47.1	Very low	44.5	Very low	34 Å²	34	53.8 Å²	53.8	15%	0.149	28%	0.28	C	S	.	.			trans	-75.6	111.1	172.7	-68.7	-54.4	0	0	0	109.3	I351 R352 H353 I378 V391 L433 L435	I351-F380 HydrophobicContact CG2-CD2 3.92Å; I351-F380 HydrophobicContact CG2-CE2 3.31Å; I351-F380 HydrophobicContact CG2-CZ 3.95Å; R352-F380 PolarHBondContact O-N 3.24Å; R352-F380 VanDerWaalsContact O-N 3.13Å; H353-F380 HydrophobicContact CB-CB 4.34Å; H353-F380 HydrophobicContact CB-CD2 4.46Å; I378-F380 HydrophobicContact CG2-CD1 4.47Å; I378-F380 HydrophobicContact CG2-CE1 4.25Å; F380-V391 HydrophobicContact CD1-CG1 4.38Å; F380-V391 HydrophobicContact CD1-CG2 4.3Å; F380-L433 HydrophobicContact CE2-CD2 4.24Å; F380-L433 HydrophobicContact CZ-CD1 4.4Å; F380-L433 HydrophobicContact CZ-CD2 4.16Å; F380-L435 HydrophobicContact CD2-CD1 4.3Å; F380-L435 HydrophobicContact CE2-CD1 3.8Å; F380-L435 HydrophobicContact CZ-CD1 4.29Å
381	P	40.6	Very low	44.3	Very low	10 Å²	10	52.1 Å²	52.1	7%	0.065	27%	0.268	C	S	.	.			trans	-78.1	133.9	167.3	-0.5	22.6	0	0	0	108	L379 R383 E390	L379-P381 WeakPolarHBondContact O-CD 3.33Å; P381-R383 PolarHBondContact O-N 3.17Å; P381-E390 WeakPolarHBondContact CD-O 3.32Å; P381-E390 VanDerWaalsContact CG-O 3.27Å; P381-E390 WeakPolarHBondContact CG-O 3.36Å
382	S	42.5	Very low	44.4	Very low	50 Å²	50	45.2 Å²	45.2	35%	0.35	24%	0.236	S	C	.	.	S	Bend	trans	-79.5	46.8	-177.6	72.4	0	0	0	0	113.1	H356	H356-S382 PolarHBondContact N-OG 3.5Å; H356-S382 VanDerWaalsContact N-OG 3.13Å
383	R	42.9	Very low	44.8	Very low	145 Å²	145	41.4 Å²	41.4	55%	0.547	22%	0.218	S	C	.	.			trans	-125.2	112.7	178.7	-128	-173.7	-168.8	173.9	0.4	110.7	P381	P381-R383 PolarHBondContact O-N 3.17Å
384	R	41.7	Very low	45.5	Very low	48 Å²	48	39.3 Å²	39.3	18%	0.181	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-75	128	162.2	-89.4	153.5	155.5	-136.1	-3.8	108.9	Y389 E436 I456 E457	R384-Y389 HydrophobicContact CG-CD1 4.25Å; R384-Y389 HydrophobicContact CG-CE1 4.1Å; R384-E436 IonicContact CZ-OE2 3.29Å; R384-E436 IonicContact NE-OE1 3.64Å; R384-E436 IonicContact NE-OE2 2.91Å; R384-E436 PolarHBondContact NE-OE2 3.38Å; R384-E436 IonicContact NH2-OE2 2.85Å; R384-E436 PolarHBondContact NH2-OE2 3.38Å; R384-I456 VanDerWaalsContact CD-O 3.22Å; R384-I456 WeakPolarHBondContact CD-O 3.38Å; R384-I456 PolarHBondContact NH1-O 3.37Å; R384-E457 PolarHBondContact NH1-O 3.17Å
385	Q	39.1	Very low	46.2	Very low	84 Å²	84	40.4 Å²	40.4	39%	0.393	20%	0.204	S	C	.	.			trans	-94.8	-175.4	166.8	-71.5	-137.9	9.7	0	0	110.3	E387 G388 E390	Q385-E387 PolarHBondContact O-N 3.24Å; Q385-G388 PolarHBondContact N-O 3.07Å; Q385-E390 HydrophobicContact CG-CG 4.1Å; Q385-E390 PolarHBondContact NE2-OE1 3.39Å; Q385-E390 PolarHBondContact NE2-OE2 3.45Å
386	E	34.2	Very low	46.8	Very low	61 Å²	61	44.3 Å²	44.3	29%	0.285	22%	0.216	S	C	.	.	S	Bend	trans	-65.8	-21.6	174.3	-62.2	-139.9	101.9	0	0	112.7	A453 T454 K455 R491	E386-A453 CarbonylContact O-C 3.5Å; E386-A453 WeakPolarHBondContact O-CB 3.47Å; E386-T454 CarbonylContact O-C 3.31Å; E386-T454 PolarHBondContact O-N 3.25Å; E386-K455 HydrophobicContact CB-CB 4.35Å; E386-K455 HydrophobicContact CB-CG 4.42Å; E386-K455 HydrophobicContact CG-CB 3.91Å; E386-K455 HydrophobicContact CG-CD 4.03Å; E386-K455 HydrophobicContact CG-CG 3.87Å; E386-K455 PolarHBondContact O-N 2.77Å; E386-R491 IonicContact OE1-NH2 2.89Å
387	E	35.9	Very low	47	Very low	70 Å²	70	44.2 Å²	44.2	33%	0.327	21%	0.214	S	C	.	.	S	Bend	trans	-102.9	-24.5	-169.5	-56.3	-84.1	140.9	0	0	113.9	Q385 N409 A453	Q385-E387 PolarHBondContact O-N 3.24Å; E387-N409 HydrophobicContact CB-CB 4.01Å; E387-N409 WeakPolarHBondContact O-CB 3.22Å; E387-N409 PolarHBondContact O-N 3.4Å; E387-N409 PolarHBondContact OE2-ND2 2.93Å; E387-A453 HydrophobicContact CB-CB 4.05Å; E387-A453 HydrophobicContact CG-CB 3.92Å; E387-A453 WeakPolarHBondContact OE1-CB 3.43Å; E387-A453 PolarHBondContact OE1-N 3.5Å; E387-A453 WeakPolarHBondContact OE2-CB 3.31Å
388	G	43.8	Very low	46.7	Very low	19 Å²	19	50.1 Å²	50.1	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	159.9	-143.7	-173.4	0	0	0	0	0	112.4	Q385	Q385-G388 PolarHBondContact N-O 3.07Å
389	Y	43.8	Very low	46.4	Very low	74 Å²	74	55.7 Å²	55.7	29%	0.29	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-98	123.7	171.3	-51.8	-87.5	0	0	0	108.6	R384 V391 E436	R384-Y389 HydrophobicContact CG-CD1 4.25Å; R384-Y389 HydrophobicContact CG-CE1 4.1Å; Y389-V391 PolarHBondContact O-N 2.91Å; Y389-E436 VanDerWaalsContact OH-CD 3.25Å; Y389-E436 PolarHBondContact OH-OE2 2.74Å
390	E	46.9	Very low	46.2	Very low	43 Å²	43	57.8 Å²	57.8	20%	0.201	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	126.9	153.9	-91.3	176	118.3	0	0	106.5	P381 Q385 F413	P381-E390 WeakPolarHBondContact CD-O 3.32Å; P381-E390 VanDerWaalsContact CG-O 3.27Å; P381-E390 WeakPolarHBondContact CG-O 3.36Å; Q385-E390 HydrophobicContact CG-CG 4.1Å; Q385-E390 PolarHBondContact NE2-OE1 3.39Å; Q385-E390 PolarHBondContact NE2-OE2 3.45Å; E390-F413 HydrophobicContact CB-CE2 4.42Å; E390-F413 HydrophobicContact CB-CZ 4.49Å; E390-F413 HydrophobicContact CG-CZ 4.3Å; E390-F413 WeakPolarHBondContact OE1-CE1 3.17Å; E390-F413 WeakPolarHBondContact OE1-CZ 3.42Å
391	V	52.1	Low	46.1	Very low	6 Å²	6	61.8 Å²	61.8	4%	0.036	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.7	174.4	-179.6	0	0	0	0	109.1	I378 F380 Y389 C393 V410 E411	I378-V391 HydrophobicContact CG2-CG1 3.82Å; F380-V391 HydrophobicContact CD1-CG1 4.38Å; F380-V391 HydrophobicContact CD1-CG2 4.3Å; Y389-V391 PolarHBondContact O-N 2.91Å; V391-C393 PolarHBondContact O-N 2.73Å; V391-C393 VanDerWaalsContact O-N 3.07Å; V391-C393 PolarHBondContact O-SG 3.39Å; V391-C393 VanDerWaalsContact O-SG 3.39Å; V391-V410 HydrophobicContact CB-CG1 3.87Å; V391-V410 HydrophobicContact CG2-CG1 3.84Å; V391-E411 PolarHBondContact N-O 3.2Å
392	Y	57.7	Low	46.2	Very low	3 Å²	3	65.3 Å²	65.3	1%	0.012	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-83.3	93.6	172.8	-173.9	-86.5	0	0	0	109.4	L362 E363 E366 L379 G394 F413	L362-Y392 HydrophobicContact CB-CD1 3.93Å; L362-Y392 HydrophobicContact CB-CD2 3.54Å; L362-Y392 HydrophobicContact CB-CE1 4.12Å; L362-Y392 HydrophobicContact CB-CE2 3.77Å; L362-Y392 HydrophobicContact CB-CG 3.63Å; L362-Y392 HydrophobicContact CD1-CD2 4.13Å; L362-Y392 HydrophobicContact CD1-CG 4.1Å; L362-Y392 HydrophobicContact CD2-CG 4.35Å; L362-Y392 HydrophobicContact CG-CD2 4.39Å; L362-Y392 HydrophobicContact CG-CG 4.23Å; E363-Y392 WeakPolarHBondContact CA-OH 3.11Å; E363-Y392 HydrophobicContact CG-CE2 3.89Å; E363-Y392 WeakPolarHBondContact CG-OH 3.07Å; E366-Y392 HydrophobicContact CB-CE1 3.96Å; E366-Y392 PolarHBondContact OE2-OH 3.39Å; E366-Y392 VanDerWaalsContact OE2-OH 3.1Å; L379-Y392 HydrophobicContact CB-CD1 4.2Å; L379-Y392 HydrophobicContact CD1-CD1 3.89Å; L379-Y392 HydrophobicContact CD1-CE1 4.31Å; L379-Y392 HydrophobicContact CG-CD1 4.2Å; L379-Y392 PolarHBondContact N-O 3.35Å; L379-Y392 VanDerWaalsContact N-O 3.15Å; L379-Y392 PolarHBondContact O-N 3.15Å; Y392-G394 PolarHBondContact O-N 3.07Å; Y392-F413 HydrophobicContact CD2-CB 4.46Å; Y392-F413 AromaticContact CD2-CD2 3.72Å; Y392-F413 HydrophobicContact CD2-CD2 3.72Å; Y392-F413 HydrophobicContact CD2-CE2 4.32Å; Y392-F413 HydrophobicContact CD2-CG 4.31Å; Y392-F413 HydrophobicContact CG-CD2 4.4Å
393	C	53.5	Low	46.2	Very low	5 Å²	5	64.6 Å²	64.6	3%	0.034	31%	0.308	C	S	.	.			trans	-76.7	-5.7	178.8	-48.9	0	0	0	0	113.3	V391 M397 C412	V391-C393 PolarHBondContact O-N 2.73Å; V391-C393 VanDerWaalsContact O-N 3.07Å; V391-C393 PolarHBondContact O-SG 3.39Å; V391-C393 VanDerWaalsContact O-SG 3.39Å; C393-M397 HydrophobicContact CB-CE 4.27Å; C393-M397 HydrophobicContact CB-SD 3.89Å; C393-M397 VanDerWaalsContact O-CB 3.25Å; C393-M397 WeakPolarHBondContact O-CB 3.44Å; C393-M397 WeakPolarHBondContact O-CE 3.46Å; C393-M397 VanDerWaalsContact O-CG 3.3Å; C393-M397 WeakPolarHBondContact O-CG 3.49Å; C393-C412 HydrophobicContact CB-CB 3.7Å; C393-C412 WeakPolarHBondContact CB-SG 3.33Å; C393-C412 VanDerWaalsContact SG-CA 3.54Å; C393-C412 WeakPolarHBondContact SG-CB 3.15Å; C393-C412 CovalentContact SG-SG 2.04Å; C393-C412 PolarHBondContact SG-SG 2.64Å
394	G	56	Low	46.2	Very low	12 Å²	12	66.8 Å²	66.8	12%	0.124	32%	0.321	C	S	.	.			trans	81.9	161.1	-173.1	0	0	0	0	0	114.4	E366 Y392	E366-G394 VanDerWaalsContact OE1-CA 3.27Å; E366-G394 WeakPolarHBondContact OE1-CA 3.38Å; Y392-G394 PolarHBondContact O-N 3.07Å
395	T	55.6	Low	46.3	Very low	67 Å²	67	70.4 Å²	70.4	41%	0.411	34%	0.34	S	S	.	.	S	Bend	trans	-85.5	-18.9	175.4	64.2	0	0	0	0	113.1	E366	E366-T395 PolarHBondContact OE1-N 3.47Å; E366-T395 VanDerWaalsContact OE2-CB 3.32Å; E366-T395 WeakPolarHBondContact OE2-CB 3.33Å; E366-T395 WeakPolarHBondContact OE2-CG2 3Å; E366-T395 PolarHBondContact OE2-N 3.32Å; E366-T395 PolarHBondContact OE2-OG1 3.25Å
396	K	53.3	Low	46.3	Very low	126 Å²	126	69.1 Å²	69.1	55%	0.548	34%	0.336	S	S	.	.	S	Bend	trans	-109.6	17.5	-175.1	-62.1	-174.2	-178	-177.4	0	114.8	E366 S370 Q398	E366-K396 PolarHBondContact OE1-N 3.22Å; S370-K396 WeakPolarHBondContact OG-CD 3.11Å; S370-K396 PolarHBondContact OG-NZ 3.28Å; K396-Q398 PolarHBondContact O-N 3.2Å; K396-Q398 VanDerWaalsContact O-N 3.14Å
397	M	50.2	Low	46.4	Very low	28 Å²	28	71.4 Å²	71.4	14%	0.138	36%	0.356	C	S	.	.			trans	-75.7	103.5	-166.2	-147.5	-162.6	-136.7	0	0	114.3	P376 I378 C393 Y399 A400 F403	P376-M397 HydrophobicContact CG-CB 4.36Å; P376-M397 HydrophobicContact CG-CG 4.21Å; I378-M397 HydrophobicContact CD1-CE 4.35Å; I378-M397 HydrophobicContact CG1-CE 3.81Å; C393-M397 HydrophobicContact CB-CE 4.27Å; C393-M397 HydrophobicContact CB-SD 3.89Å; C393-M397 VanDerWaalsContact O-CB 3.25Å; C393-M397 WeakPolarHBondContact O-CB 3.44Å; C393-M397 WeakPolarHBondContact O-CE 3.46Å; C393-M397 VanDerWaalsContact O-CG 3.3Å; C393-M397 WeakPolarHBondContact O-CG 3.49Å; M397-Y399 PolarHBondContact O-N 3.39Å; M397-A400 HydrophobicContact CB-CB 4.39Å; M397-A400 HydrophobicContact SD-CB 4.22Å; M397-F403 HydrophobicContact CE-CD2 3.85Å; M397-F403 HydrophobicContact CE-CE2 3.29Å; M397-F403 HydrophobicContact CE-CZ 3.94Å; M397-F403 HydrophobicContact SD-CD2 3.69Å; M397-F403 HydrophobicContact SD-CE2 3.5Å; M397-F403 VanDerWaalsContact SD-CE2 3.5Å
398	Q	45.4	Very low	46.6	Very low	156 Å²	156	70.4 Å²	70.4	73%	0.729	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.6	168.2	-68.7	178.9	-32.9	0	0	112.7	K396 H401	K396-Q398 PolarHBondContact O-N 3.2Å; K396-Q398 VanDerWaalsContact O-N 3.14Å; Q398-H401 PolarHBondContact O-CE1 2.92Å; Q398-H401 PolarHBondContact O-ND1 2.98Å
399	Y	43.1	Very low	46.5	Very low	127 Å²	127	73.2 Å²	73.2	50%	0.498	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	11	-171.7	-59.5	-65.7	0	0	0	115.1	M397 H401 L402 F403	M397-Y399 PolarHBondContact O-N 3.39Å; Y399-H401 PolarHBondContact O-N 3.18Å; Y399-L402 HydrophobicContact CD1-CD1 3.89Å; Y399-L402 HydrophobicContact CG-CD1 4.24Å; Y399-L402 WeakPolarHBondContact O-CB 3.38Å; Y399-L402 PolarHBondContact O-N 2.87Å; Y399-F403 WeakPolarHBondContact O-CD2 3.29Å; Y399-F403 VanDerWaalsContact O-CE2 3.24Å; Y399-F403 WeakPolarHBondContact O-CE2 3.23Å
400	A	44.3	Very low	46.5	Very low	45 Å²	45	71.2 Å²	71.2	37%	0.372	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-24.5	-179.6	0	0	0	0	0	114.1	M397	M397-A400 HydrophobicContact CB-CB 4.39Å; M397-A400 HydrophobicContact SD-CB 4.22Å
401	H	46.4	Very low	46.5	Very low	118 Å²	118	74.7 Å²	74.7	55%	0.546	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.7	176.6	64.2	-90.1	0	0	0	114.3	Q398 Y399	Q398-H401 PolarHBondContact O-CE1 2.92Å; Q398-H401 PolarHBondContact O-ND1 2.98Å; Y399-H401 PolarHBondContact O-N 3.18Å
402	L	40.8	Very low	46.2	Very low	84 Å²	84	76.6 Å²	76.6	44%	0.44	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-69.6	-33.7	178.4	-60	-176.7	0	0	0	111.8	Y399 K404 Q405	Y399-L402 HydrophobicContact CD1-CD1 3.89Å; Y399-L402 HydrophobicContact CG-CD1 4.24Å; Y399-L402 WeakPolarHBondContact O-CB 3.38Å; Y399-L402 PolarHBondContact O-N 2.87Å; L402-K404 VanDerWaalsContact C-N 3.27Å; L402-K404 PolarHBondContact O-N 2.81Å; L402-Q405 PolarHBondContact O-N 2.83Å
403	F	44.5	Very low	45.6	Very low	36 Å²	36	78.9 Å²	78.9	16%	0.158	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-78	-10.6	-175.1	-54.6	-67.2	0	0	0	114	I378 M397 Y399 Q405 L406 V410	I378-F403 HydrophobicContact CD1-CD1 4.14Å; I378-F403 HydrophobicContact CD1-CE1 3.26Å; I378-F403 HydrophobicContact CD1-CE2 4.25Å; I378-F403 HydrophobicContact CD1-CZ 3.33Å; I378-F403 HydrophobicContact CG1-CZ 4.28Å; M397-F403 HydrophobicContact CE-CD2 3.85Å; M397-F403 HydrophobicContact CE-CE2 3.29Å; M397-F403 HydrophobicContact CE-CZ 3.94Å; M397-F403 HydrophobicContact SD-CD2 3.69Å; M397-F403 HydrophobicContact SD-CE2 3.5Å; M397-F403 VanDerWaalsContact SD-CE2 3.5Å; Y399-F403 WeakPolarHBondContact O-CD2 3.29Å; Y399-F403 VanDerWaalsContact O-CE2 3.24Å; Y399-F403 WeakPolarHBondContact O-CE2 3.23Å; F403-Q405 PolarHBondContact O-N 3.46Å; F403-Q405 VanDerWaalsContact O-N 3.08Å; F403-L406 HydrophobicContact CB-CD1 4.44Å; F403-L406 HydrophobicContact CD1-CD1 3.94Å; F403-L406 PolarHBondContact O-N 3.17Å; F403-V410 HydrophobicContact CB-CG1 4.5Å
404	K	42.9	Very low	45.1	Very low	190 Å²	190	82.5 Å²	82.5	83%	0.826	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-65.6	-3.1	169.6	-71.8	-167.6	170.5	-171.5	0	114.3	L402	L402-K404 VanDerWaalsContact C-N 3.27Å; L402-K404 PolarHBondContact O-N 2.81Å
405	Q	43	Very low	43.8	Very low	124 Å²	124	90.7 Å²	90.7	58%	0.579	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-111.9	4.8	179.7	-56	-173.9	0.2	0	0	113	L402 F403 H430	L402-Q405 PolarHBondContact O-N 2.83Å; F403-Q405 PolarHBondContact O-N 3.46Å; F403-Q405 VanDerWaalsContact O-N 3.08Å; Q405-H430 PolarHBondContact OE1-NE2 2.93Å
406	L	38.9	Very low	42.6	Very low	57 Å²	57	98.1 Å²	98.1	30%	0.298	49%	0.486	S	S	.	.	S	Bend	trans	-78.5	142.2	169.2	-70.1	176.7	0	0	0	110.6	F403 G408 V410	F403-L406 HydrophobicContact CB-CD1 4.44Å; F403-L406 HydrophobicContact CD1-CD1 3.94Å; F403-L406 PolarHBondContact O-N 3.17Å; L406-G408 PolarHBondContact O-N 2.92Å; L406-V410 HydrophobicContact CB-CG2 3.93Å; L406-V410 HydrophobicContact CD1-CG2 4.18Å
407	P	36	Very low	41.3	Very low	109 Å²	109	98 Å²	98	71%	0.708	50%	0.498	S	S	*	.	S	Bend	trans	-74.8	124.1	176.9	28.6	-33.1	0	0	0	112.5
408	G	39.5	Very low	40.2	Very low	49 Å²	49	104.1 Å²	104.1	51%	0.505	53%	0.529	S	S	.	.	S	Bend	trans	113.7	161.8	-177.4	0	0	0	0	0	112.2	L406 V410	L406-G408 PolarHBondContact O-N 2.92Å; G408-V410 PolarHBondContact O-N 3.14Å
409	N	43.1	Very low	39.2	Very low	79 Å²	79	100 Å²	100	42%	0.422	53%	0.53	S	S	.	.			trans	-73.9	94.1	176	-67.6	-6.9	0	0	0	109.3	E387 E411	E387-N409 HydrophobicContact CB-CB 4.01Å; E387-N409 WeakPolarHBondContact O-CB 3.22Å; E387-N409 PolarHBondContact O-N 3.4Å; E387-N409 PolarHBondContact OE2-ND2 2.93Å; N409-E411 PolarHBondContact O-N 3.5Å
410	V	43.9	Very low	38.5	Very low	32 Å²	32	103.6 Å²	103.6	19%	0.194	55%	0.548	C	S	.	.			trans	-81.1	84.6	169	179.6	0	0	0	0	108	V391 F403 L406 G408 C412	V391-V410 HydrophobicContact CB-CG1 3.87Å; V391-V410 HydrophobicContact CG2-CG1 3.84Å; F403-V410 HydrophobicContact CB-CG1 4.5Å; L406-V410 HydrophobicContact CB-CG2 3.93Å; L406-V410 HydrophobicContact CD1-CG2 4.18Å; G408-V410 PolarHBondContact O-N 3.14Å; V410-C412 PolarHBondContact O-N 3.01Å
411	E	46.6	Very low	37.7	Very low	116 Å²	116	104.7 Å²	104.7	54%	0.542	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.4	109	174.5	-66.7	-159.1	147.8	0	0	110.2	V391 N409	V391-E411 PolarHBondContact N-O 3.2Å; N409-E411 PolarHBondContact O-N 3.5Å
412	C	45.3	Very low	36.7	Very low	46 Å²	46	109.1 Å²	109.1	31%	0.311	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77	134	167.9	-64.2	0	0	0	0	110	C393 V410 N414	C393-C412 HydrophobicContact CB-CB 3.7Å; C393-C412 WeakPolarHBondContact CB-SG 3.33Å; C393-C412 VanDerWaalsContact SG-CA 3.54Å; C393-C412 WeakPolarHBondContact SG-CB 3.15Å; C393-C412 CovalentContact SG-SG 2.04Å; C393-C412 PolarHBondContact SG-SG 2.64Å; V410-C412 PolarHBondContact O-N 3.01Å; C412-N414 PolarHBondContact O-N 2.9Å
413	F	46	Very low	36.1	Very low	50 Å²	50	113 Å²	113	22%	0.219	60%	0.602	C	S	.	*	S	Bend	trans	-56.3	0.7	-177.9	-83.4	-79.8	0	0	0	118	R359 E390 Y392	R359-F413 HydrophobicContact CB-CD1 4.5Å; R359-F413 HydrophobicContact CB-CE1 4.21Å; R359-F413 HydrophobicContact CG-CD1 4.15Å; R359-F413 HydrophobicContact CG-CE1 4.36Å; R359-F413 PolarHBondContact NH1-O 3.17Å; R359-F413 PolarHBondContact NH2-O 3.29Å; E390-F413 HydrophobicContact CB-CE2 4.42Å; E390-F413 HydrophobicContact CB-CZ 4.49Å; E390-F413 HydrophobicContact CG-CZ 4.3Å; E390-F413 WeakPolarHBondContact OE1-CE1 3.17Å; E390-F413 WeakPolarHBondContact OE1-CZ 3.42Å; Y392-F413 HydrophobicContact CD2-CB 4.46Å; Y392-F413 AromaticContact CD2-CD2 3.72Å; Y392-F413 HydrophobicContact CD2-CD2 3.72Å; Y392-F413 HydrophobicContact CD2-CE2 4.32Å; Y392-F413 HydrophobicContact CD2-CG 4.31Å; Y392-F413 HydrophobicContact CG-CD2 4.4Å
414	N	41.7	Very low	35.2	Very low	81 Å²	81	118.4 Å²	118.4	43%	0.433	63%	0.632	S	S	.	*			trans	-121.5	93.3	-179.2	-82.6	4	0	0	0	111.7	R359 C412 Y416	R359-N414 PolarHBondContact NH2-OD1 3.32Å; R359-N414 VanDerWaalsContact NH2-OD1 3.15Å; C412-N414 PolarHBondContact O-N 2.9Å; N414-Y416 PolarHBondContact O-N 2.86Å
415	E	30.3	Very low	34.5	Very low	184 Å²	184	115.2 Å²	115.2	86%	0.86	63%	0.629	S	S	*	*			trans	-65.8	115.4	152.4	-62.7	-176.1	116	0	0	109.1
416	Y	29	Very low	33.6	Very low	224 Å²	224	114.8 Å²	114.8	88%	0.878	64%	0.635	S	S	*	*			trans	-169.3	119.5	139.8	-104.3	-66.3	0	0	0	109.6	N414	N414-Y416 PolarHBondContact O-N 2.86Å
417	P	25.7	Very low	33	Very low	123 Å²	123	123.2 Å²	123.2	80%	0.799	66%	0.663	S	S	*	*			trans	-89.7	128.9	-173.5	33	-33.3	0	0	0	112.8
418	I	28.5	Very low	32.7	Very low	156 Å²	156	122.8 Å²	122.8	80%	0.8	66%	0.66	S	S	*	*			trans	-127.4	122	162.1	-59.1	-179	0	0	0	107.9	F420	I418-F420 HydrophobicContact CG2-CE2 4.35Å
419	G	24.1	Very low	32.1	Very low	71 Å²	71	128.5 Å²	128.5	73%	0.732	67%	0.668	S	S	*	*			trans	-101.6	119.8	-168.6	0	0	0	0	0	114.3
420	F	28.9	Very low	31.2	Very low	201 Å²	201	130.1 Å²	130.1	88%	0.882	67%	0.672	S	S	*	*			trans	-134.1	145	153.4	-67.1	-88.4	0	0	0	107.9	I418	I418-F420 HydrophobicContact CG2-CE2 4.35Å
421	G	26.8	Very low	30.4	Very low	69 Å²	69	132.2 Å²	132.2	71%	0.711	68%	0.683	S	S	*	*			cis	151.3	53.8	0.8	0	0	0	0	0	112.9
422	K	26.2	Very low	29.4	Very low	211 Å²	211	131.3 Å²	131.3	92%	0.917	68%	0.681	S	S	*	*			trans	53	88.9	-179.7	-63.3	-176.4	179.7	-179.5	0	115.6
423	L	27.2	Very low	28.5	Very low	164 Å²	164	132 Å²	132	86%	0.859	68%	0.681	S	S	*	*			trans	-130.8	134.8	152.6	-99	163.3	0	0	0	108.6
424	N	24.9	Very low	27.7	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	71%	0.705	S	S	*	*			trans	-115.3	98.5	-178.4	-176.4	18.7	0	0	0	108.8
425	T	28.3	Very low	27	Very low	123 Å²	123	138.6 Å²	138.6	76%	0.755	71%	0.713	S	S	*	*			trans	-131.7	109.2	-177.3	49.7	0	0	0	0	109.7
426	T	25	Very low	27	Very low	115 Å²	115	135 Å²	135	71%	0.706	70%	0.696	S	S	*	*			trans	-83.1	147.1	-177	51.9	0	0	0	0	112.9
427	R	26.5	Very low	26.9	Very low	235 Å²	235	133.8 Å²	133.8	89%	0.887	69%	0.69	S	S	*	*			trans	70.5	157.6	168.8	-62.5	179.2	171.9	-179.3	-3.7	116
428	P	30.1	Very low	27	Very low	100 Å²	100	133.9 Å²	133.9	65%	0.649	68%	0.683	S	S	*	*			cis	-141.2	115.1	-38.6	35.2	-17	0	0	0	113.2
429	Y	25.6	Very low	26.9	Very low	169 Å²	169	129.2 Å²	129.2	66%	0.663	66%	0.662	S	S	*	*			trans	-146.3	105.8	164.9	-85.7	-76.4	0	0	0	111.2	Q347	Q347-Y429 VanDerWaalsContact NE2-CZ 3.26Å; Q347-Y429 PolarHBondContact NE2-OH 3.32Å
430	H	25	Very low	27.1	Very low	113 Å²	113	133.1 Å²	133.1	52%	0.523	66%	0.656	S	S	.	*			trans	-146.4	174.9	167.5	-102.4	-80.6	0	0	0	108.3	Q405	Q405-H430 PolarHBondContact OE1-NE2 2.93Å
431	N	26.4	Very low	27	Very low	76 Å²	76	129.6 Å²	129.6	41%	0.406	65%	0.65	S	S	.	*			trans	76.2	28.1	170.9	-46.2	-43	0	0	0	116.9	I874	N431-I874 HydrophobicContact CB-CD1 3.71Å; N431-I874 HydrophobicContact CB-CG1 3.75Å; N431-I874 HydrophobicContact CB-CG2 4.48Å; N431-I874 WeakPolarHBondContact ND2-CD1 3.33Å; N431-I874 VanDerWaalsContact ND2-CG1 3.27Å; N431-I874 WeakPolarHBondContact ND2-CG1 3.18Å
432	L	26.2	Very low	27	Very low	97 Å²	97	131.1 Å²	131.1	51%	0.508	64%	0.642	S	S	.	*	S	Bend	trans	-131.7	65.1	166.8	-74.5	178.2	0	0	0	111.4	D345 L348	D345-L432 HydrophobicContact CB-CD1 3.99Å; D345-L432 WeakPolarHBondContact OD2-CD1 3.38Å; L348-L432 HydrophobicContact CD1-CB 4.2Å; L348-L432 HydrophobicContact CD1-CD1 4.27Å; L348-L432 HydrophobicContact CD1-CD2 4.35Å; L348-L432 HydrophobicContact CD2-CB 4.15Å; L348-L432 WeakPolarHBondContact CD2-O 3.24Å; L348-L432 HydrophobicContact CG-CB 4.49Å
433	L	26.1	Very low	27.2	Very low	60 Å²	60	126.4 Å²	126.4	31%	0.314	63%	0.631	S	S	.	*			trans	174	92.1	160.8	-102.8	168.7	0	0	0	109.3	I351 F380 L435	I351-L433 HydrophobicContact CD1-CD1 3.5Å; I351-L433 VanDerWaalsContact CD1-CD1 3.5Å; I351-L433 HydrophobicContact CD1-CG 4.2Å; F380-L433 HydrophobicContact CE2-CD2 4.24Å; F380-L433 HydrophobicContact CZ-CD1 4.4Å; F380-L433 HydrophobicContact CZ-CD2 4.16Å; L433-L435 HydrophobicContact CD2-CD1 4.29Å
434	H	30.4	Very low	27.5	Very low	158 Å²	158	124 Å²	124	73%	0.731	62%	0.623	S	S	*	*			trans	-116.4	88.4	166.1	-97.9	-60.7	0	0	0	110.8
435	L	26.1	Very low	27.7	Very low	112 Å²	112	122.8 Å²	122.8	59%	0.586	62%	0.617	S	S	*	*			trans	-92.7	141	163.5	-81.5	163.9	0	0	0	109.6	F380 L433	F380-L435 HydrophobicContact CD2-CD1 4.3Å; F380-L435 HydrophobicContact CE2-CD1 3.8Å; F380-L435 HydrophobicContact CZ-CD1 4.29Å; L433-L435 HydrophobicContact CD2-CD1 4.29Å
436	E	29.4	Very low	27.9	Very low	108 Å²	108	125 Å²	125	51%	0.505	62%	0.616	S	S	.	*	S	Bend	trans	65.6	147	176.9	-61.1	-161.9	-163.2	0	0	118.3	R384 Y389	R384-E436 IonicContact CZ-OE2 3.29Å; R384-E436 IonicContact NE-OE1 3.64Å; R384-E436 IonicContact NE-OE2 2.91Å; R384-E436 PolarHBondContact NE-OE2 3.38Å; R384-E436 IonicContact NH2-OE2 2.85Å; R384-E436 PolarHBondContact NH2-OE2 3.38Å; Y389-E436 VanDerWaalsContact OH-CD 3.25Å; Y389-E436 PolarHBondContact OH-OE2 2.74Å
437	R	27.3	Very low	28.2	Very low	199 Å²	199	128.3 Å²	128.3	75%	0.751	62%	0.623	S	S	*	*			trans	-73.9	140.3	-179.7	-74	178.1	167.8	175	-5.7	111.1	T439	R437-T439 PolarHBondContact O-N 2.92Å
438	L	27.6	Very low	28.3	Very low	124 Å²	124	121 Å²	121	65%	0.649	62%	0.621	S	S	*	*			trans	-55	128.6	-176.4	-70.2	153.1	0	0	0	113.2	Y440	L438-Y440 HydrophobicContact CB-CD2 4.45Å; L438-Y440 HydrophobicContact CB-CE2 3.94Å; L438-Y440 HydrophobicContact CD1-CE2 4.35Å; L438-Y440 HydrophobicContact CD2-CE1 4.27Å
439	T	26.8	Very low	28.4	Very low	59 Å²	59	127.1 Å²	127.1	36%	0.362	63%	0.631	S	S	.	*			trans	-124.6	114.2	162.3	38.7	0	0	0	0	108.9	R437 I456	R437-T439 PolarHBondContact O-N 2.92Å; T439-I456 WeakPolarHBondContact OG1-CD1 3.2Å
440	Y	27.7	Very low	28.5	Very low	153 Å²	153	129.2 Å²	129.2	60%	0.6	64%	0.644	S	S	*	*			trans	-93.5	118.3	-175.2	-65.5	-81	0	0	0	111.2	L438	L438-Y440 HydrophobicContact CB-CD2 4.45Å; L438-Y440 HydrophobicContact CB-CE2 3.94Å; L438-Y440 HydrophobicContact CD1-CE2 4.35Å; L438-Y440 HydrophobicContact CD2-CE1 4.27Å
441	V	28.2	Very low	28.6	Very low	126 Å²	126	131.5 Å²	131.5	76%	0.764	65%	0.654	S	S	*	*			trans	-98.1	132.6	158.4	-179.9	0	0	0	0	107.9
442	N	27.3	Very low	28.7	Very low	101 Å²	101	135.2 Å²	135.2	54%	0.54	67%	0.667	S	S	.	*			trans	-125.2	96.3	-170.3	-179	110.4	0	0	0	110.3	K860	N442-K860 VanDerWaalsContact CG-NZ 3.33Å; N442-K860 PolarHBondContact OD1-NZ 3.48Å
443	T	29.9	Very low	28.6	Very low	112 Å²	112	131.8 Å²	131.8	69%	0.687	65%	0.653	S	S	*	*			trans	-117	117.5	171.6	49.3	0	0	0	0	110.6
444	T	32.6	Very low	28.8	Very low	114 Å²	114	132.7 Å²	132.7	70%	0.699	66%	0.661	S	S	*	*			trans	-104.2	128.5	171.7	46.6	0	0	0	0	110.2
445	D	30	Very low	28.7	Very low	124 Å²	124	128.5 Å²	128.5	66%	0.663	64%	0.641	S	S	*	*			trans	71.8	127.6	151.1	-86.8	32.5	0	0	0	122.4
446	K	31.7	Very low	28.8	Very low	170 Å²	170	126.5 Å²	126.5	74%	0.739	63%	0.63	S	S	*	*			trans	85.3	129.3	145.5	-64.8	168.1	178.1	95.7	0	119.2
447	E	32.6	Very low	28.9	Very low	185 Å²	185	122.9 Å²	122.9	86%	0.864	61%	0.613	S	S	*	*			trans	67.5	63.9	154.6	-63.9	176.6	-167.7	0	0	119.2
448	G	27.1	Very low	29.1	Very low	82 Å²	82	116.7 Å²	116.7	85%	0.845	60%	0.597	S	S	*	*				71.4	53.3	118.9	0	0	0	0	0	118.3
449	R	32.3	Very low	29.4	Very low	227 Å²	227	116.8 Å²	116.8	86%	0.857	60%	0.603	S	S	*	*			trans	-139.3	157.2	158.3	-104.5	158.1	-177.5	153.3	1.2	111.2	H451	R449-H451 PolarHBondContact O-CD2 3.45Å; R449-H451 VanDerWaalsContact O-CD2 3.26Å; R449-H451 PolarHBondContact O-N 3.11Å
450	K	27.3	Very low	29.8	Very low	213 Å²	213	115.5 Å²	115.5	93%	0.926	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-64.2	118.7	-176.6	-61.6	-174.3	-179.4	-172.5	0	109.8
451	H	27.2	Very low	30.3	Very low	161 Å²	161	117.8 Å²	117.8	75%	0.745	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-81.3	128.9	170.7	-74.4	-95.7	0	0	0	109.5	R449	R449-H451 PolarHBondContact O-CD2 3.45Å; R449-H451 VanDerWaalsContact O-CD2 3.26Å; R449-H451 PolarHBondContact O-N 3.11Å
452	K	28.3	Very low	30.7	Very low	154 Å²	154	120.5 Å²	120.5	67%	0.67	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-93.5	122.9	172.5	175.9	-169.7	178.2	-172.4	0	106.6
453	A	25.8	Very low	31.7	Very low	26 Å²	26	119.9 Å²	119.9	22%	0.215	60%	0.602	C	S	.	*			trans	-75	175.6	178.1	0	0	0	0	0	111.9	E386 E387	E386-A453 CarbonylContact O-C 3.5Å; E386-A453 WeakPolarHBondContact O-CB 3.47Å; E387-A453 HydrophobicContact CB-CB 4.05Å; E387-A453 HydrophobicContact CG-CB 3.92Å; E387-A453 WeakPolarHBondContact OE1-CB 3.43Å; E387-A453 PolarHBondContact OE1-N 3.5Å; E387-A453 WeakPolarHBondContact OE2-CB 3.31Å
454	T	28.9	Very low	32.5	Very low	78 Å²	78	117.8 Å²	117.8	48%	0.479	59%	0.59	S	S	.	*			trans	-131.3	121.5	-172.7	-54.2	0	0	0	0	110.2	E386 I456	E386-T454 CarbonylContact O-C 3.31Å; E386-T454 PolarHBondContact O-N 3.25Å; T454-I456 PolarHBondContact O-N 2.84Å; T454-I456 VanDerWaalsContact O-N 3.13Å
455	K	29.4	Very low	33.5	Very low	70 Å²	70	114.9 Å²	114.9	30%	0.304	58%	0.582	S	S	.	*			trans	-49.1	116.4	177.1	-131	173.6	178.8	-160.3	0	111.7	E386 E457	E386-K455 HydrophobicContact CB-CB 4.35Å; E386-K455 HydrophobicContact CB-CG 4.42Å; E386-K455 HydrophobicContact CG-CB 3.91Å; E386-K455 HydrophobicContact CG-CD 4.03Å; E386-K455 HydrophobicContact CG-CG 3.87Å; E386-K455 PolarHBondContact O-N 2.77Å; K455-E457 HydrophobicContact CB-CG 4.17Å; K455-E457 HydrophobicContact CD-CG 3.92Å; K455-E457 WeakPolarHBondContact CD-OE1 3.43Å; K455-E457 WeakPolarHBondContact CE-OE1 3.44Å; K455-E457 HydrophobicContact CG-CG 3.91Å; K455-E457 IonicContact NZ-OE1 3.79Å; K455-E457 PolarHBondContact NZ-OE1 2.93Å
456	I	28.2	Very low	35	Very low	70 Å²	70	109.9 Å²	109.9	36%	0.359	56%	0.557	S	S	.	*			trans	-97.4	101.8	161	-42.8	-174.3	0	0	0	105	R384 T439 T454	R384-I456 VanDerWaalsContact CD-O 3.22Å; R384-I456 WeakPolarHBondContact CD-O 3.38Å; R384-I456 PolarHBondContact NH1-O 3.37Å; T439-I456 WeakPolarHBondContact OG1-CD1 3.2Å; T454-I456 PolarHBondContact O-N 2.84Å; T454-I456 VanDerWaalsContact O-N 3.13Å
457	E	32	Very low	36.9	Very low	32 Å²	32	102 Å²	102	15%	0.15	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-78.8	168.8	-171	-62	-146.5	121.8	0	0	113.6	R384 K455 T479 Y516	R384-E457 PolarHBondContact NH1-O 3.17Å; K455-E457 HydrophobicContact CB-CG 4.17Å; K455-E457 HydrophobicContact CD-CG 3.92Å; K455-E457 WeakPolarHBondContact CD-OE1 3.43Å; K455-E457 WeakPolarHBondContact CE-OE1 3.44Å; K455-E457 HydrophobicContact CG-CG 3.91Å; K455-E457 IonicContact NZ-OE1 3.79Å; K455-E457 PolarHBondContact NZ-OE1 2.93Å; E457-T479 HydrophobicContact CB-CG2 4.48Å; E457-T479 WeakPolarHBondContact OE2-CB 2.94Å; E457-T479 WeakPolarHBondContact OE2-CG2 3.2Å; E457-Y516 VanDerWaalsContact CD-CE1 3.48Å; E457-Y516 HydrophobicContact CG-CE1 4.1Å; E457-Y516 PolarHBondContact OE1-OH 3.5Å; E457-Y516 WeakPolarHBondContact OE2-CE1 3.31Å; E457-Y516 PolarHBondContact OE2-OH 2.99Å
458	T	29.9	Very low	38.5	Very low	69 Å²	69	95.9 Å²	95.9	42%	0.423	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-66.8	152.3	177.5	40.6	0	0	0	0	112.1	T479	T458-T479 PolarHBondContact O-OG1 2.89Å; T458-T479 PolarHBondContact OG1-OG1 2.7Å
459	V	33.6	Very low	40.4	Very low	126 Å²	126	95.4 Å²	95.4	76%	0.764	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-70.5	130.5	158.6	-179.3	0	0	0	0	107.8	K461	V459-K461 PolarHBondContact O-N 3.19Å
460	D	37	Very low	42.3	Very low	32 Å²	32	92.3 Å²	92.3	17%	0.171	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-61.9	121.1	179	-61	-65.7	0	0	0	110.8	E462 Y476 G478 T479	D460-E462 PolarHBondContact O-N 3.36Å; D460-Y476 WeakPolarHBondContact OD2-CE2 3.5Å; D460-Y476 PolarHBondContact OD2-OH 3.12Å; D460-G478 VanDerWaalsContact CG-CA 3.43Å; D460-G478 WeakPolarHBondContact OD1-CA 3.35Å; D460-G478 VanDerWaalsContact OD2-CA 3.25Å; D460-G478 WeakPolarHBondContact OD2-CA 3.41Å; D460-T479 VanDerWaalsContact CG-N 3.27Å; D460-T479 PolarHBondContact OD1-N 3.25Å; D460-T479 PolarHBondContact OD1-OG1 2.05Å; D460-T479 PolarHBondContact OD2-N 3.27Å
461	K	36.6	Very low	44.7	Very low	202 Å²	202	85.3 Å²	85.3	88%	0.878	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	9.7	176.8	-63.1	-172	175.6	-173.4	0	114	V459	V459-K461 PolarHBondContact O-N 3.19Å
462	E	38.4	Very low	47.4	Very low	182 Å²	182	81.2 Å²	81.2	85%	0.85	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.3	4.8	-165.4	-155	167.8	-132.4	0	0	113	D460	D460-E462 PolarHBondContact O-N 3.36Å
463	Y	46.4	Very low	50.1	Low	88 Å²	88	74.1 Å²	74.1	35%	0.345	39%	0.389	S	S	.	.	S	Bend	trans	-130.7	134.7	171.9	-112.9	-91.1	0	0	0	112.2	M473 Y476	Y463-M473 HydrophobicContact CD1-CE 3.49Å; Y463-M473 VanDerWaalsContact CD1-CE 3.49Å; Y463-M473 HydrophobicContact CD1-SD 3.9Å; Y463-M473 HydrophobicContact CD2-CE 4.47Å; Y463-M473 HydrophobicContact CE1-CE 3.38Å; Y463-M473 HydrophobicContact CE1-CG 3.73Å; Y463-M473 HydrophobicContact CE1-SD 3.35Å; Y463-M473 WeakPolarHBondContact CE1-SD 3.31Å; Y463-M473 HydrophobicContact CE2-CE 4.37Å; Y463-M473 HydrophobicContact CG-CE 4.07Å; Y463-Y476 HydrophobicContact CD2-CD2 4.21Å; Y463-Y476 HydrophobicContact CE2-CD2 4.42Å
464	P	47	Very low	52.9	Low	69 Å²	69	79.1 Å²	79.1	45%	0.448	40%	0.403	S	S	.	.			trans	-64	155.2	165.4	29.9	-35	0	0	0	110.1	C466	P464-C466 PolarHBondContact O-N 2.88Å
465	G	54.4	Low	55.5	Low	52 Å²	52	80.2 Å²	80.2	54%	0.536	41%	0.413	S	S	.	.	S	Bend	trans	-66.2	11.7	-174.2	0	0	0	0	0	116.7
466	C	61.1	Low	58.2	Low	19 Å²	19	77.4 Å²	77.4	13%	0.128	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.1	178.7	68.8	0	0	0	0	111.5	P464 N544 C546	P464-C466 PolarHBondContact O-N 2.88Å; C466-N544 CarbonylContact C-O 3.51Å; C466-N544 VanDerWaalsContact CA-O 3.26Å; C466-N544 WeakPolarHBondContact CA-O 3.14Å; C466-N544 VanDerWaalsContact CB-O 3.31Å; C466-N544 WeakPolarHBondContact CB-O 3.23Å; C466-C546 HydrophobicContact CB-CB 3.92Å; C466-C546 WeakPolarHBondContact CB-SG 3.28Å; C466-C546 PolarHBondContact O-SG 3.39Å; C466-C546 WeakPolarHBondContact SG-CA 3.41Å; C466-C546 WeakPolarHBondContact SG-CB 3.38Å; C466-C546 CovalentContact SG-SG 2.04Å; C466-C546 PolarHBondContact SG-SG 2.17Å
467	R	71.6	Confident	60.9	Low	4 Å²	4	79.7 Å²	79.7	2%	0.015	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.4	177.5	177	-172.1	74.6	80.7	-3.4	111.3	K469 N471 M473 P524 C525 G526 F543 N544 T545 C546	R467-K469 PolarHBondContact NH1-O 2.88Å; R467-K469 PolarHBondContact O-N 2.72Å; R467-N471 VanDerWaalsContact CD-O 3.22Å; R467-N471 WeakPolarHBondContact CD-O 3.45Å; R467-N471 WeakPolarHBondContact CG-O 3.43Å; R467-N471 PolarHBondContact NH1-O 2.61Å; R467-M473 HydrophobicContact CB-SD 3.65Å; R467-M473 HydrophobicContact CG-CG 4.07Å; R467-M473 HydrophobicContact CG-SD 3.56Å; R467-M473 VanDerWaalsContact CG-SD 3.56Å; R467-P524 PolarHBondContact NH1-O 2.71Å; R467-P524 PolarHBondContact NH2-O 3.39Å; R467-C525 PolarHBondContact NE-O 2.84Å; R467-C525 PolarHBondContact NH2-O 3.21Å; R467-G526 VanDerWaalsContact CD-CA 3.43Å; R467-F543 HydrophobicContact CB-CB 3.87Å; R467-N544 PolarHBondContact N-O 3.44Å; R467-T545 PolarHBondContact NH2-OG1 2.69Å; R467-T545 CarbonylContact O-C 3.43Å; R467-T545 WeakPolarHBondContact O-CA 3.34Å; R467-C546 PolarHBondContact N-SG 2.87Å; R467-C546 PolarHBondContact O-N 2.95Å
468	P	65.7	Low	63.2	Low	58 Å²	58	78.6 Å²	78.6	38%	0.377	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	132.3	174.1	-22.4	32.7	0	0	0	112	H470 N471	P468-H470 VanDerWaalsContact C-N 3.27Å; P468-H470 PolarHBondContact O-N 3.29Å; P468-N471 HydrophobicContact CB-CB 4.08Å; P468-N471 HydrophobicContact CG-CB 4.36Å; P468-N471 WeakPolarHBondContact O-CA 3.37Å; P468-N471 PolarHBondContact O-N 3.18Å; P468-N471 VanDerWaalsContact O-O 3.07Å
469	K	66.6	Low	65.8	Low	72 Å²	72	76.7 Å²	76.7	31%	0.313	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-42.2	-171.4	-169.6	153.6	179.9	160.4	0	114.9	R467 T545 E843	R467-K469 PolarHBondContact NH1-O 2.88Å; R467-K469 PolarHBondContact O-N 2.72Å; K469-T545 HydrophobicContact CB-CG2 3.6Å; K469-T545 HydrophobicContact CD-CG2 4.09Å; K469-T545 HydrophobicContact CG-CG2 3.88Å; K469-E843 IonicContact NZ-OE1 3.12Å; K469-E843 PolarHBondContact NZ-OE1 3.34Å; K469-E843 IonicContact NZ-OE2 2.74Å; K469-E843 PolarHBondContact NZ-OE2 3.44Å
470	H	72.7	Confident	68	Low	161 Å²	161	72.3 Å²	72.3	75%	0.745	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-11.6	179.5	-56.2	-64.2	0	0	0	115.1	P468 K548	P468-H470 VanDerWaalsContact C-N 3.27Å; P468-H470 PolarHBondContact O-N 3.29Å; H470-K548 WeakPolarHBondContact NE2-CE 3.48Å; H470-K548 PolarHBondContact NE2-NZ 3.39Å
471	N	78.4	Confident	70.3	Confident	66 Å²	66	71.8 Å²	71.8	35%	0.353	37%	0.368	S	S	.	.			trans	-97.1	107.5	176	179.4	3.5	0	0	0	108.9	R467 P468 M473	R467-N471 VanDerWaalsContact CD-O 3.22Å; R467-N471 WeakPolarHBondContact CD-O 3.45Å; R467-N471 WeakPolarHBondContact CG-O 3.43Å; R467-N471 PolarHBondContact NH1-O 2.61Å; P468-N471 HydrophobicContact CB-CB 4.08Å; P468-N471 HydrophobicContact CG-CB 4.36Å; P468-N471 WeakPolarHBondContact O-CA 3.37Å; P468-N471 PolarHBondContact O-N 3.18Å; P468-N471 VanDerWaalsContact O-O 3.07Å; N471-M473 PolarHBondContact O-N 3.07Å; N471-M473 WeakPolarHBondContact OD1-CA 3.38Å; N471-M473 PolarHBondContact OD1-N 3.42Å
472	Y	84.5	Confident	72.4	Confident	76 Å²	76	67.7 Å²	67.7	30%	0.298	35%	0.347	S	S	.	.			trans	-78.9	3.1	180	-48.6	-16.2	0	0	0	112.5	R474 N519 K522 P524 G526	Y472-R474 VanDerWaalsContact CD2-NH2 3.32Å; Y472-R474 PolarHBondContact O-N 3.45Å; Y472-R474 VanDerWaalsContact O-N 3.1Å; Y472-N519 PolarHBondContact O-ND2 2.9Å; Y472-K522 WeakPolarHBondContact CD2-O 3.35Å; Y472-P524 HydrophobicContact CE1-CB 4.49Å; Y472-G526 WeakPolarHBondContact O-CA 3.09Å
473	M	84.1	Confident	74.4	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.02	31%	0.308	C	S	.	.			trans	52.2	34.7	178.1	-83.4	169.8	72.5	0	0	113.5	Y463 R467 N471 S475 Y476 P527 F543	Y463-M473 HydrophobicContact CD1-CE 3.49Å; Y463-M473 VanDerWaalsContact CD1-CE 3.49Å; Y463-M473 HydrophobicContact CD1-SD 3.9Å; Y463-M473 HydrophobicContact CD2-CE 4.47Å; Y463-M473 HydrophobicContact CE1-CE 3.38Å; Y463-M473 HydrophobicContact CE1-CG 3.73Å; Y463-M473 HydrophobicContact CE1-SD 3.35Å; Y463-M473 WeakPolarHBondContact CE1-SD 3.31Å; Y463-M473 HydrophobicContact CE2-CE 4.37Å; Y463-M473 HydrophobicContact CG-CE 4.07Å; R467-M473 HydrophobicContact CB-SD 3.65Å; R467-M473 HydrophobicContact CG-CG 4.07Å; R467-M473 HydrophobicContact CG-SD 3.56Å; R467-M473 VanDerWaalsContact CG-SD 3.56Å; N471-M473 PolarHBondContact O-N 3.07Å; N471-M473 WeakPolarHBondContact OD1-CA 3.38Å; N471-M473 PolarHBondContact OD1-N 3.42Å; M473-S475 PolarHBondContact O-N 3.31Å; M473-Y476 HydrophobicContact CE-CD2 3.57Å; M473-Y476 HydrophobicContact CE-CE2 4.22Å; M473-Y476 HydrophobicContact CE-CG 3.77Å; M473-Y476 WeakPolarHBondContact O-CB 3.36Å; M473-Y476 PolarHBondContact O-N 3.11Å; M473-P527 HydrophobicContact CB-CG 3.52Å; M473-P527 HydrophobicContact CE-CG 4.16Å; M473-F543 HydrophobicContact CE-CD1 4.16Å; M473-F543 HydrophobicContact CE-CD2 3.92Å; M473-F543 HydrophobicContact CE-CE1 4.1Å; M473-F543 HydrophobicContact CE-CE2 3.86Å; M473-F543 HydrophobicContact CE-CG 4.08Å; M473-F543 HydrophobicContact CE-CZ 3.95Å; M473-F543 HydrophobicContact SD-CG 4.47Å
474	R	84.8	Confident	75.4	Confident	132 Å²	132	56 Å²	56	50%	0.498	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-30.8	-177.5	-56.9	176.1	-170	163.9	5.7	113.7	Y472 K522	Y472-R474 VanDerWaalsContact CD2-NH2 3.32Å; Y472-R474 PolarHBondContact O-N 3.45Å; Y472-R474 VanDerWaalsContact O-N 3.1Å; R474-K522 HydrophobicContact CG-CB 4.41Å; R474-K522 HydrophobicContact CG-CG 4.42Å
475	S	84.2	Confident	76.2	Confident	101 Å²	101	57 Å²	57	71%	0.706	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	10.3	-179.2	-48.1	0	0	0	0	113.7	M473 K477	M473-S475 PolarHBondContact O-N 3.31Å; S475-K477 WeakPolarHBondContact O-CG 3.45Å; S475-K477 PolarHBondContact O-N 3.32Å
476	Y	84.7	Confident	76.8	Confident	10 Å²	10	55.8 Å²	55.8	4%	0.039	28%	0.283	C	S	.	.			trans	-65.8	120.9	178.8	170.5	-101.1	0	0	0	110.3	D460 Y463 M473 G478 T479 T480 P506 C517 R518 P527 F543	D460-Y476 WeakPolarHBondContact OD2-CE2 3.5Å; D460-Y476 PolarHBondContact OD2-OH 3.12Å; Y463-Y476 HydrophobicContact CD2-CD2 4.21Å; Y463-Y476 HydrophobicContact CE2-CD2 4.42Å; M473-Y476 HydrophobicContact CE-CD2 3.57Å; M473-Y476 HydrophobicContact CE-CE2 4.22Å; M473-Y476 HydrophobicContact CE-CG 3.77Å; M473-Y476 WeakPolarHBondContact O-CB 3.36Å; M473-Y476 PolarHBondContact O-N 3.11Å; Y476-G478 WeakPolarHBondContact OH-CA 3.01Å; Y476-T479 PolarHBondContact OH-N 3.24Å; Y476-T480 WeakPolarHBondContact OH-CB 3.14Å; Y476-T480 PolarHBondContact OH-N 2.93Å; Y476-T480 PolarHBondContact OH-OG1 3.46Å; Y476-P506 WeakPolarHBondContact O-CG 3.22Å; Y476-C517 WeakPolarHBondContact CD1-O 3.35Å; Y476-C517 HydrophobicContact CE1-CB 4.4Å; Y476-C517 VanDerWaalsContact CE1-O 3.25Å; Y476-C517 WeakPolarHBondContact CE1-O 3.14Å; Y476-R518 VanDerWaalsContact O-CD 3.27Å; Y476-R518 WeakPolarHBondContact O-CD 3.48Å; Y476-R518 PolarHBondContact O-NE 3.22Å; Y476-P527 HydrophobicContact CD1-CB 4.1Å; Y476-P527 HydrophobicContact CD1-CG 4.08Å; Y476-P527 HydrophobicContact CG-CG 4.29Å; Y476-F543 HydrophobicContact CD1-CE2 4.1Å; Y476-F543 HydrophobicContact CD1-CZ 4.42Å; Y476-F543 HydrophobicContact CD2-CZ 4.45Å; Y476-F543 AromaticContact CE1-CE2 3.75Å; Y476-F543 HydrophobicContact CE1-CE2 3.75Å; Y476-F543 AromaticContact CE1-CZ 3.79Å; Y476-F543 HydrophobicContact CE1-CZ 3.79Å; Y476-F543 HydrophobicContact CE2-CE2 4.42Å; Y476-F543 AromaticContact CE2-CZ 3.83Å; Y476-F543 HydrophobicContact CE2-CZ 3.83Å; Y476-F543 AromaticContact CZ-CE2 3.94Å; Y476-F543 AromaticContact CZ-CZ 3.47Å; Y476-F543 VanDerWaalsContact CZ-CZ 3.47Å
477	K	85.5	Confident	77.6	Confident	119 Å²	119	59.6 Å²	59.6	52%	0.517	30%	0.295	S	S	.	.			trans	-116.2	12.3	179.5	-53.2	-163.9	-172.7	-162.5	0	113.5	S475 P506 R518	S475-K477 WeakPolarHBondContact O-CG 3.45Å; S475-K477 PolarHBondContact O-N 3.32Å; K477-P506 HydrophobicContact CD-CB 4.5Å; K477-P506 WeakPolarHBondContact CE-O 3.35Å; K477-P506 HydrophobicContact CG-CB 4Å; K477-P506 HydrophobicContact CG-CG 4.22Å; K477-P506 PolarHBondContact NZ-O 3.25Å; K477-R518 PolarHBondContact O-NH2 2.03Å
478	G	80.8	Confident	78.2	Confident	9 Å²	9	65.1 Å²	65.1	9%	0.093	32%	0.321	C	S	.	.			trans	-71.9	-178.2	-174.8	0	0	0	0	0	113.6	D460 Y476 R518	D460-G478 VanDerWaalsContact CG-CA 3.43Å; D460-G478 WeakPolarHBondContact OD1-CA 3.35Å; D460-G478 VanDerWaalsContact OD2-CA 3.25Å; D460-G478 WeakPolarHBondContact OD2-CA 3.41Å; Y476-G478 WeakPolarHBondContact OH-CA 3.01Å; G478-R518 PolarHBondContact O-NH1 2.82Å; G478-R518 PolarHBondContact O-NH2 2.91Å
479	T	84.5	Confident	79.3	Confident	28 Å²	28	62.5 Å²	62.5	17%	0.172	30%	0.304	C	S	.	.			trans	-105.7	10.3	-166.5	56.4	0	0	0	0	114.3	E457 T458 D460 Y476 A481	E457-T479 HydrophobicContact CB-CG2 4.48Å; E457-T479 WeakPolarHBondContact OE2-CB 2.94Å; E457-T479 WeakPolarHBondContact OE2-CG2 3.2Å; T458-T479 PolarHBondContact O-OG1 2.89Å; T458-T479 PolarHBondContact OG1-OG1 2.7Å; D460-T479 VanDerWaalsContact CG-N 3.27Å; D460-T479 PolarHBondContact OD1-N 3.25Å; D460-T479 PolarHBondContact OD1-OG1 2.05Å; D460-T479 PolarHBondContact OD2-N 3.27Å; Y476-T479 PolarHBondContact OH-N 3.24Å; T479-A481 PolarHBondContact O-N 2.82Å
480	T	78.1	Confident	80.4	Confident	34 Å²	34	61.2 Å²	61.2	21%	0.209	30%	0.299	C	S	.	.			trans	-62.2	120.3	169.1	-63.2	0	0	0	0	110.3	Y476 Y516 C517 C542 F543	Y476-T480 WeakPolarHBondContact OH-CB 3.14Å; Y476-T480 PolarHBondContact OH-N 2.93Å; Y476-T480 PolarHBondContact OH-OG1 3.46Å; T480-Y516 WeakPolarHBondContact O-CA 3.41Å; T480-C517 PolarHBondContact O-N 2.97Å; T480-C517 PolarHBondContact O-SG 3.26Å; T480-C517 VanDerWaalsContact O-SG 3.32Å; T480-C542 HydrophobicContact CG2-CB 4.36Å; T480-F543 HydrophobicContact CG2-CZ 4.13Å
481	A	86.6	Confident	81.2	Confident	22 Å²	22	56.4 Å²	56.4	18%	0.182	27%	0.274	C	S	.	.			trans	-126.2	36.2	-177.4	0	0	0	0	0	112.4	T479 C489 Y516	T479-A481 PolarHBondContact O-N 2.82Å; A481-C489 WeakPolarHBondContact O-CB 3.25Å; A481-C489 PolarHBondContact O-N 3.45Å; A481-C489 VanDerWaalsContact O-N 3.1Å; A481-C489 PolarHBondContact O-SG 2.84Å; A481-Y516 HydrophobicContact CB-CD1 4.3Å
482	R	80.6	Confident	81.8	Confident	115 Å²	115	53.3 Å²	53.3	43%	0.434	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-140.2	148.8	174.4	-71.6	-178.1	177.7	-111.3	2	111.3	G486 Y487 C489 C517 C542	R482-G486 PolarHBondContact NH1-O 3.13Å; R482-Y487 CarbonylContact C-O 3.58Å; R482-Y487 WeakPolarHBondContact CA-O 3.28Å; R482-C489 PolarHBondContact N-SG 3.32Å; R482-C489 VanDerWaalsContact N-SG 3.4Å; R482-C517 PolarHBondContact O-SG 3.07Å; R482-C542 WeakPolarHBondContact O-CB 3.43Å; R482-C542 PolarHBondContact O-SG 3.04Å
483	T	79.1	Confident	81.9	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.043	27%	0.265	C	S	.	.			trans	-74.8	174.4	173.7	74.6	0	0	0	0	112.1	H485 G486 Y487 C529 Y531 E540 P541	T483-H485 VanDerWaalsContact C-N 3.32Å; T483-H485 PolarHBondContact O-N 3.28Å; T483-G486 WeakPolarHBondContact O-CA 3.11Å; T483-G486 PolarHBondContact O-N 3.33Å; T483-G486 PolarHBondContact OG1-N 3.29Å; T483-Y487 PolarHBondContact N-O 3.44Å; T483-Y487 WeakPolarHBondContact OG1-CB 3.48Å; T483-Y487 WeakPolarHBondContact OG1-CD2 3.27Å; T483-Y487 PolarHBondContact OG1-N 2.72Å; T483-C529 VanDerWaalsContact CG2-SG 3.53Å; T483-Y531 HydrophobicContact CG2-CD1 3.96Å; T483-Y531 HydrophobicContact CG2-CG 4.36Å; T483-E540 WeakPolarHBondContact CB-OE2 3Å; T483-E540 HydrophobicContact CG2-CB 3.92Å; T483-E540 HydrophobicContact CG2-CG 4.49Å; T483-E540 PolarHBondContact OG1-OE2 2.05Å; T483-P541 CarbonylContact C-O 3.51Å; T483-P541 WeakPolarHBondContact CA-O 3.43Å
484	I	68.3	Low	82	Confident	18 Å²	18	58.3 Å²	58.3	9%	0.092	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-36.2	176.6	55.4	176	0	0	0	113.1	G486 E540 P541 N544 D839	I484-G486 PolarHBondContact O-N 3.4Å; I484-E540 HydrophobicContact CD1-CG 4.32Å; I484-E540 HydrophobicContact CG1-CG 3.79Å; I484-E540 WeakPolarHBondContact CG1-OE2 3.47Å; I484-E540 PolarHBondContact N-OE2 3.24Å; I484-P541 HydrophobicContact CG2-CB 4.46Å; I484-P541 PolarHBondContact N-O 3.44Å; I484-N544 VanDerWaalsContact CG2-OD1 3.28Å; I484-N544 WeakPolarHBondContact CG2-OD1 3.17Å; I484-D839 WeakPolarHBondContact CD1-OD1 3.41Å
485	H	64.1	Low	81.9	Confident	89 Å²	89	52.3 Å²	52.3	41%	0.412	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	10.2	172.1	-62.6	112.8	0	0	0	113.3	T483 Y487 E540 D839	T483-H485 VanDerWaalsContact C-N 3.32Å; T483-H485 PolarHBondContact O-N 3.28Å; H485-Y487 VanDerWaalsContact C-N 3.33Å; H485-Y487 HydrophobicContact CB-CD2 3.97Å; H485-Y487 HydrophobicContact CB-CE2 3.7Å; H485-Y487 PolarHBondContact O-N 3.04Å; H485-E540 WeakPolarHBondContact CB-OE2 3.43Å; H485-E540 IonicContact CE1-OE1 2.69Å; H485-E540 IonicContact CG-OE1 2.92Å; H485-E540 IonicContact CG-OE2 2.63Å; H485-E540 PolarHBondContact N-OE2 3.36Å; H485-E540 VanDerWaalsContact ND1-CD 3.26Å; H485-E540 IonicContact ND1-OE1 3.13Å; H485-E540 PolarHBondContact ND1-OE1 2.77Å; H485-E540 IonicContact ND1-OE2 3.71Å; H485-E540 PolarHBondContact ND1-OE2 3.05Å; H485-D839 IonicContact CE1-OD1 2.88Å
486	G	67.8	Low	81.3	Confident	28 Å²	28	57.7 Å²	57.7	29%	0.289	28%	0.275	S	S	.	.			trans	79.7	6.7	171.4	0	0	0	0	0	115.2	R482 T483 I484	R482-G486 PolarHBondContact NH1-O 3.13Å; T483-G486 WeakPolarHBondContact O-CA 3.11Å; T483-G486 PolarHBondContact O-N 3.33Å; T483-G486 PolarHBondContact OG1-N 3.29Å; I484-G486 PolarHBondContact O-N 3.4Å
487	Y	76.5	Confident	80.3	Confident	99 Å²	99	64.2 Å²	64.2	39%	0.388	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-59.8	142.5	174.5	-61.9	-69	0	0	0	110.3	R482 T483 H485 C489 Y531	R482-Y487 CarbonylContact C-O 3.58Å; R482-Y487 WeakPolarHBondContact CA-O 3.28Å; T483-Y487 PolarHBondContact N-O 3.44Å; T483-Y487 WeakPolarHBondContact OG1-CB 3.48Å; T483-Y487 WeakPolarHBondContact OG1-CD2 3.27Å; T483-Y487 PolarHBondContact OG1-N 2.72Å; H485-Y487 VanDerWaalsContact C-N 3.33Å; H485-Y487 HydrophobicContact CB-CD2 3.97Å; H485-Y487 HydrophobicContact CB-CE2 3.7Å; H485-Y487 PolarHBondContact O-N 3.04Å; Y487-C489 PolarHBondContact O-N 2.98Å; Y487-Y531 HydrophobicContact CD1-CD2 4Å; Y487-Y531 HydrophobicContact CD1-CE2 4.11Å; Y487-Y531 AromaticContact CD2-CD2 3.81Å; Y487-Y531 HydrophobicContact CD2-CD2 3.81Å; Y487-Y531 HydrophobicContact CD2-CE1 4.41Å; Y487-Y531 AromaticContact CD2-CE2 3.55Å; Y487-Y531 HydrophobicContact CD2-CE2 3.55Å; Y487-Y531 HydrophobicContact CD2-CG 4.34Å; Y487-Y531 AromaticContact CD2-CZ 3.88Å; Y487-Y531 HydrophobicContact CE1-CE2 4.31Å; Y487-Y531 HydrophobicContact CE2-CD2 4.45Å; Y487-Y531 AromaticContact CE2-CE2 3.78Å; Y487-Y531 HydrophobicContact CE2-CE2 3.78Å; Y487-Y531 AromaticContact CG-CD2 3.56Å; Y487-Y531 HydrophobicContact CG-CD2 3.56Å; Y487-Y531 AromaticContact CG-CE2 3.74Å; Y487-Y531 HydrophobicContact CG-CE2 3.74Å; Y487-Y531 HydrophobicContact CG-CG 4.17Å
488	Q	84.3	Confident	79.4	Confident	120 Å²	120	61 Å²	61	56%	0.561	30%	0.295	S	S	*	.	B	Isolated β-bridge	trans	-72.9	128.4	177.3	177.4	172.3	-20.2	0	0	110
489	C	88.2	Confident	78.9	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.02	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-68.1	138.1	175.9	-64.4	0	0	0	0	111.9	A481 R482 Y487 N515 C529 Y530	A481-C489 WeakPolarHBondContact O-CB 3.25Å; A481-C489 PolarHBondContact O-N 3.45Å; A481-C489 VanDerWaalsContact O-N 3.1Å; A481-C489 PolarHBondContact O-SG 2.84Å; R482-C489 PolarHBondContact N-SG 3.32Å; R482-C489 VanDerWaalsContact N-SG 3.4Å; Y487-C489 PolarHBondContact O-N 2.98Å; C489-N515 HydrophobicContact CB-CB 4.18Å; C489-N515 WeakPolarHBondContact CB-O 3.14Å; C489-N515 WeakPolarHBondContact O-CB 3.38Å; C489-N515 PolarHBondContact O-ND2 3.21Å; C489-C529 VanDerWaalsContact CA-SG 3.53Å; C489-C529 HydrophobicContact CB-CB 3.61Å; C489-C529 WeakPolarHBondContact CB-SG 3.14Å; C489-C529 WeakPolarHBondContact SG-CB 3.04Å; C489-C529 CovalentContact SG-SG 2.02Å; C489-C529 PolarHBondContact SG-SG 3.47Å; C489-Y530 CarbonylContact C-O 3.53Å; C489-Y530 WeakPolarHBondContact CA-O 3.44Å
490	E	90.5	Very high	78.8	Confident	44 Å²	44	68.1 Å²	68.1	21%	0.206	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-77.3	154.9	168.1	-70.7	-70.1	153.4	0	0	111.3	V495 N515 Y530 K532 L537	E490-V495 HydrophobicContact CB-CG2 4.16Å; E490-N515 WeakPolarHBondContact O-CA 3.44Å; E490-N515 VanDerWaalsContact O-CB 3.28Å; E490-N515 WeakPolarHBondContact O-CB 3.2Å; E490-Y530 PolarHBondContact N-O 2.8Å; E490-K532 HydrophobicContact CG-CG 4.09Å; E490-K532 WeakPolarHBondContact OE1-CG 3.46Å; E490-K532 IonicContact OE1-NZ 2.7Å; E490-K532 PolarHBondContact OE1-NZ 3.23Å; E490-K532 IonicContact OE2-NZ 2.66Å; E490-K532 PolarHBondContact OE2-NZ 2.85Å; E490-L537 HydrophobicContact CG-CD1 4.04Å
491	R	90	Very high	79	Confident	61 Å²	61	75.2 Å²	75.2	23%	0.23	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-72.5	129.7	176.6	-67.1	-178.8	177.5	-120.8	-2.8	110.2	E386 Q493 D494 V495 N514 N515	E386-R491 IonicContact OE1-NH2 2.89Å; R491-Q493 VanDerWaalsContact C-N 3.25Å; R491-Q493 HydrophobicContact CB-CG 3.95Å; R491-Q493 PolarHBondContact O-N 3.19Å; R491-D494 HydrophobicContact CB-CB 4.22Å; R491-D494 WeakPolarHBondContact CB-OD2 3.49Å; R491-D494 PolarHBondContact O-N 3.14Å; R491-V495 PolarHBondContact O-N 3.17Å; R491-N514 CarbonylContact C-O 3.58Å; R491-N514 WeakPolarHBondContact CA-O 3.37Å; R491-N514 PolarHBondContact NE-OD1 2.94Å; R491-N514 PolarHBondContact NH1-OD1 3.18Å; R491-N515 HydrophobicContact CB-CB 4.45Å; R491-N515 HydrophobicContact CG-CB 3.94Å
492	W	90.1	Very high	78.9	Confident	1 Å²	1	78.1 Å²	78.1	0%	0.004	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-54.5	-42.3	-178.6	-66.8	98.7	0	0	0	112.4	D494 V495 H498 F505 V510 A513 N514 Y516 R518 P520 W528 C529 Y530	W492-D494 VanDerWaalsContact C-N 3.26Å; W492-D494 PolarHBondContact O-N 3.48Å; W492-V495 PolarHBondContact O-N 2.77Å; W492-H498 PolarHBondContact O-CE1 2.85Å; W492-H498 PolarHBondContact O-ND1 2.9Å; W492-H498 VanDerWaalsContact O-ND1 3.16Å; W492-F505 HydrophobicContact CB-CE1 4.38Å; W492-F505 HydrophobicContact CB-CZ 4.24Å; W492-F505 AromaticContact CD2-CE1 3.57Å; W492-F505 HydrophobicContact CD2-CE1 3.57Å; W492-F505 AromaticContact CD2-CZ 3.81Å; W492-F505 HydrophobicContact CD2-CZ 3.81Å; W492-F505 AromaticContact CE2-CE1 3.84Å; W492-F505 AromaticContact CE3-CE1 3.88Å; W492-F505 HydrophobicContact CE3-CE1 3.88Å; W492-F505 AromaticContact CE3-CZ 3.72Å; W492-F505 HydrophobicContact CE3-CZ 3.72Å; W492-F505 AromaticContact CG-CE1 3.79Å; W492-F505 HydrophobicContact CG-CE1 3.79Å; W492-F505 HydrophobicContact CG-CZ 4.05Å; W492-F505 HydrophobicContact CZ2-CE1 4.37Å; W492-F505 HydrophobicContact CZ3-CE1 4.39Å; W492-F505 HydrophobicContact CZ3-CZ 4.34Å; W492-V510 HydrophobicContact CB-CG1 3.72Å; W492-A513 HydrophobicContact CG-CB 4.45Å; W492-N514 VanDerWaalsContact CD1-O 3.3Å; W492-N514 PolarHBondContact N-O 3Å; W492-Y516 PolarHBondContact NE1-O 2.8Å; W492-R518 HydrophobicContact CZ2-CB 3.78Å; W492-R518 HydrophobicContact CZ2-CG 4.48Å; W492-P520 HydrophobicContact CH2-CG 4.3Å; W492-P520 HydrophobicContact CZ3-CG 4.22Å; W492-W528 AromaticContact CH2-CD2 3.97Å; W492-W528 HydrophobicContact CH2-CD2 3.97Å; W492-W528 AromaticContact CH2-CE3 3.69Å; W492-W528 HydrophobicContact CH2-CE3 3.69Å; W492-W528 HydrophobicContact CH2-CH2 4.02Å; W492-W528 HydrophobicContact CH2-CZ2 4.24Å; W492-W528 AromaticContact CH2-CZ3 3.72Å; W492-W528 HydrophobicContact CH2-CZ3 3.72Å; W492-W528 VanDerWaalsContact CZ2-O 3.28Å; W492-W528 WeakPolarHBondContact CZ2-O 2.99Å; W492-W528 HydrophobicContact CZ3-CE3 4.16Å; W492-W528 AromaticContact CZ3-CH2 3.74Å; W492-W528 HydrophobicContact CZ3-CH2 3.74Å; W492-W528 HydrophobicContact CZ3-CZ2 4.23Å; W492-W528 AromaticContact CZ3-CZ3 3.68Å; W492-W528 HydrophobicContact CZ3-CZ3 3.68Å; W492-C529 HydrophobicContact CZ2-CB 4.39Å; W492-Y530 AromaticContact CE3-CD2 3.87Å; W492-Y530 HydrophobicContact CE3-CD2 3.87Å; W492-Y530 AromaticContact CE3-CE2 3.87Å; W492-Y530 HydrophobicContact CE3-CE2 3.87Å; W492-Y530 AromaticContact CZ3-CD2 3.79Å; W492-Y530 HydrophobicContact CZ3-CD2 3.79Å; W492-Y530 AromaticContact CZ3-CE2 3.64Å; W492-Y530 HydrophobicContact CZ3-CE2 3.64Å
493	Q	87.3	Confident	79.1	Confident	95 Å²	95	79.3 Å²	79.3	44%	0.444	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-61.2	-27.4	176	49.7	155.7	71.3	0	0	114.6	R491 V510	R491-Q493 VanDerWaalsContact C-N 3.25Å; R491-Q493 HydrophobicContact CB-CG 3.95Å; R491-Q493 PolarHBondContact O-N 3.19Å; Q493-V510 HydrophobicContact CB-CG1 4.27Å
494	D	86.2	Confident	79.4	Confident	90 Å²	90	82.2 Å²	82.2	48%	0.481	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-89.8	-15.6	-175.2	-61	-10.9	0	0	0	111.4	R491 W492 K496	R491-D494 HydrophobicContact CB-CB 4.22Å; R491-D494 WeakPolarHBondContact CB-OD2 3.49Å; R491-D494 PolarHBondContact O-N 3.14Å; W492-D494 VanDerWaalsContact C-N 3.26Å; W492-D494 PolarHBondContact O-N 3.48Å; D494-K496 PolarHBondContact O-N 3.31Å
495	V	83.4	Confident	80.4	Confident	6 Å²	6	81.7 Å²	81.7	4%	0.036	38%	0.383	C	S	.	.			trans	-78.7	101.9	178.3	169.6	0	0	0	0	110.8	E490 R491 W492 M497 H498 Y530 L537	E490-V495 HydrophobicContact CB-CG2 4.16Å; R491-V495 PolarHBondContact O-N 3.17Å; W492-V495 PolarHBondContact O-N 2.77Å; V495-M497 PolarHBondContact O-N 2.98Å; V495-H498 HydrophobicContact CG1-CB 4.36Å; V495-H498 PolarHBondContact O-N 3.04Å; V495-H498 PolarHBondContact O-ND1 3.09Å; V495-Y530 HydrophobicContact CB-CD2 4.14Å; V495-Y530 HydrophobicContact CB-CE2 4.42Å; V495-Y530 HydrophobicContact CG1-CD1 4.25Å; V495-Y530 HydrophobicContact CG1-CD2 3.75Å; V495-Y530 HydrophobicContact CG1-CE1 4.22Å; V495-Y530 HydrophobicContact CG1-CE2 3.7Å; V495-Y530 HydrophobicContact CG1-CG 4.02Å; V495-Y530 HydrophobicContact CG2-CD2 3.85Å; V495-Y530 HydrophobicContact CG2-CG 3.94Å; V495-L537 HydrophobicContact CB-CD2 4.13Å; V495-L537 HydrophobicContact CG1-CD2 3.38Å; V495-L537 HydrophobicContact CG2-CD1 4.34Å; V495-L537 HydrophobicContact CG2-CD2 3.8Å
496	K	69.8	Low	81.4	Confident	213 Å²	213	78.6 Å²	78.6	93%	0.926	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.8	-177.5	-65.5	-176.6	179.6	177.9	0	116.2	D494	D494-K496 PolarHBondContact O-N 3.31Å
497	M	64.5	Low	82.3	Confident	148 Å²	148	78.7 Å²	78.7	73%	0.729	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	2.8	-176.7	-69.7	-175.8	172.6	0	0	114.5	V495 N499	V495-M497 PolarHBondContact O-N 2.98Å; M497-N499 PolarHBondContact O-N 3.15Å
498	H	65.8	Low	82.6	Confident	51 Å²	51	82 Å²	82	24%	0.236	38%	0.382	C	S	.	.			trans	-73.6	119.3	-179	76	-83.4	0	0	0	111.4	W492 V495 F500 Y530	W492-H498 PolarHBondContact O-CE1 2.85Å; W492-H498 PolarHBondContact O-ND1 2.9Å; W492-H498 VanDerWaalsContact O-ND1 3.16Å; V495-H498 HydrophobicContact CG1-CB 4.36Å; V495-H498 PolarHBondContact O-N 3.04Å; V495-H498 PolarHBondContact O-ND1 3.09Å; H498-F500 HydrophobicContact CB-CD2 4.2Å; H498-F500 PolarHBondContact CD2-O 3.43Å; H498-F500 VanDerWaalsContact CD2-O 3.29Å; H498-F500 PolarHBondContact O-N 3.43Å; H498-Y530 HydrophobicContact CB-CE2 4.31Å
499	N	71.9	Confident	82.7	Confident	152 Å²	152	77.2 Å²	77.2	81%	0.813	36%	0.362	S	S	*	.			trans	-82.1	4.8	175.2	-75.6	-47.5	0	0	0	113.2	M497	M497-N499 PolarHBondContact O-N 3.15Å
500	F	81.4	Confident	82.6	Confident	34 Å²	34	77.8 Å²	77.8	15%	0.149	37%	0.365	C	S	.	.			trans	-91.2	115.6	-170.4	-54.2	-61.8	0	0	0	112.2	H498 H504 F505 P520 D521 W528	H498-F500 HydrophobicContact CB-CD2 4.2Å; H498-F500 PolarHBondContact CD2-O 3.43Å; H498-F500 VanDerWaalsContact CD2-O 3.29Å; H498-F500 PolarHBondContact O-N 3.43Å; F500-H504 HydrophobicContact CB-CB 4.25Å; F500-H504 HydrophobicContact CD1-CB 4.49Å; F500-F505 HydrophobicContact CB-CE2 3.59Å; F500-F505 HydrophobicContact CB-CZ 4.07Å; F500-P520 HydrophobicContact CB-CB 4.15Å; F500-P520 HydrophobicContact CD1-CB 3.76Å; F500-P520 HydrophobicContact CD1-CG 3.97Å; F500-P520 HydrophobicContact CD2-CB 4.15Å; F500-P520 HydrophobicContact CD2-CG 3.63Å; F500-P520 HydrophobicContact CE1-CB 4.23Å; F500-P520 HydrophobicContact CE1-CG 4.09Å; F500-P520 HydrophobicContact CE2-CG 3.77Å; F500-P520 HydrophobicContact CG-CB 3.73Å; F500-P520 HydrophobicContact CG-CG 3.75Å; F500-P520 HydrophobicContact CZ-CG 4Å; F500-D521 HydrophobicContact CE1-CB 3.73Å; F500-D521 HydrophobicContact CZ-CB 3.84Å; F500-W528 AromaticContact CE2-CH2 3.77Å; F500-W528 HydrophobicContact CE2-CH2 3.77Å; F500-W528 AromaticContact CE2-CZ2 3.72Å; F500-W528 HydrophobicContact CE2-CZ2 3.72Å; F500-W528 HydrophobicContact CZ-CH2 4.35Å; F500-W528 AromaticContact CZ-CZ2 3.92Å; F500-W528 HydrophobicContact CZ-CZ2 3.92Å
501	R	81.5	Confident	82.4	Confident	183 Å²	183	78.2 Å²	78.2	69%	0.691	38%	0.376	S	S	*	.			trans	-76.6	156.5	169.3	-55.4	-179.3	-169.8	168.4	4.1	110.7	H503 H504	R501-H503 PolarHBondContact O-N 2.86Å; R501-H504 PolarHBondContact N-ND1 3.16Å; R501-H504 WeakPolarHBondContact O-CB 3.29Å; R501-H504 PolarHBondContact O-N 2.84Å; R501-H504 PolarHBondContact O-ND1 3.21Å
502	D	85.6	Confident	82.2	Confident	83 Å²	83	80.2 Å²	80.2	44%	0.444	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-36.4	-44.5	179.5	-66.2	-51.1	0	0	0	116.1	H504 F505 S509 V510	D502-H504 PolarHBondContact O-N 2.91Å; D502-H504 VanDerWaalsContact O-N 3.13Å; D502-F505 PolarHBondContact O-N 3.19Å; D502-S509 WeakPolarHBondContact OD1-CA 3.32Å; D502-S509 WeakPolarHBondContact OD1-CB 3.48Å; D502-V510 PolarHBondContact OD1-N 2.99Å
503	H	85	Confident	82	Confident	141 Å²	141	80.2 Å²	80.2	65%	0.653	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-68.5	-7.1	-177.9	66.6	-107.3	0	0	0	115.6	R501	R501-H503 PolarHBondContact O-N 2.86Å
504	H	86.2	Confident	82.1	Confident	68 Å²	68	76.2 Å²	76.2	32%	0.315	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-81.7	-23.3	170	-60	81.9	0	0	0	111.8	F500 R501 D502 P520	F500-H504 HydrophobicContact CB-CB 4.25Å; F500-H504 HydrophobicContact CD1-CB 4.49Å; R501-H504 PolarHBondContact N-ND1 3.16Å; R501-H504 WeakPolarHBondContact O-CB 3.29Å; R501-H504 PolarHBondContact O-N 2.84Å; R501-H504 PolarHBondContact O-ND1 3.21Å; D502-H504 PolarHBondContact O-N 2.91Å; D502-H504 VanDerWaalsContact O-N 3.13Å; H504-P520 HydrophobicContact CB-CB 3.7Å
505	F	87.9	Confident	82.4	Confident	6 Å²	6	72.6 Å²	72.6	3%	0.026	35%	0.354	C	S	.	.	S	Bend	trans	-87.1	131.5	-178	-70.5	-86.4	0	0	0	110.5	W492 F500 D502 D507 K508 V510 A513 R518 P520	W492-F505 HydrophobicContact CB-CE1 4.38Å; W492-F505 HydrophobicContact CB-CZ 4.24Å; W492-F505 AromaticContact CD2-CE1 3.57Å; W492-F505 HydrophobicContact CD2-CE1 3.57Å; W492-F505 AromaticContact CD2-CZ 3.81Å; W492-F505 HydrophobicContact CD2-CZ 3.81Å; W492-F505 AromaticContact CE2-CE1 3.84Å; W492-F505 AromaticContact CE3-CE1 3.88Å; W492-F505 HydrophobicContact CE3-CE1 3.88Å; W492-F505 AromaticContact CE3-CZ 3.72Å; W492-F505 HydrophobicContact CE3-CZ 3.72Å; W492-F505 AromaticContact CG-CE1 3.79Å; W492-F505 HydrophobicContact CG-CE1 3.79Å; W492-F505 HydrophobicContact CG-CZ 4.05Å; W492-F505 HydrophobicContact CZ2-CE1 4.37Å; W492-F505 HydrophobicContact CZ3-CE1 4.39Å; W492-F505 HydrophobicContact CZ3-CZ 4.34Å; F500-F505 HydrophobicContact CB-CE2 3.59Å; F500-F505 HydrophobicContact CB-CZ 4.07Å; D502-F505 PolarHBondContact O-N 3.19Å; F505-D507 PolarHBondContact O-N 3.42Å; F505-K508 PolarHBondContact O-N 2.99Å; F505-V510 HydrophobicContact CD2-CB 4.49Å; F505-V510 HydrophobicContact CD2-CG2 3.92Å; F505-V510 HydrophobicContact CE2-CB 4.33Å; F505-V510 HydrophobicContact CE2-CG1 4.35Å; F505-V510 HydrophobicContact CE2-CG2 3.74Å; F505-A513 HydrophobicContact CB-CB 4.46Å; F505-A513 HydrophobicContact CD1-CB 3.45Å; F505-A513 VanDerWaalsContact CD1-CB 3.45Å; F505-A513 HydrophobicContact CE1-CB 3.95Å; F505-A513 HydrophobicContact CG-CB 4.12Å; F505-R518 HydrophobicContact CD1-CB 4.08Å; F505-R518 HydrophobicContact CD1-CG 4.07Å; F505-R518 HydrophobicContact CE1-CB 4.12Å; F505-R518 HydrophobicContact CE1-CG 4.39Å; F505-P520 HydrophobicContact CE1-CB 4.3Å; F505-P520 HydrophobicContact CE1-CG 4.29Å; F505-P520 HydrophobicContact CE2-CB 4.38Å; F505-P520 HydrophobicContact CZ-CB 4.17Å; F505-P520 HydrophobicContact CZ-CG 4.2Å
506	P	86.1	Confident	82.8	Confident	24 Å²	24	73.5 Å²	73.5	16%	0.156	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-20.5	-179.9	30	-35.7	0	0	0	111.8	Y476 K477 K508	Y476-P506 WeakPolarHBondContact O-CG 3.22Å; K477-P506 HydrophobicContact CD-CB 4.5Å; K477-P506 WeakPolarHBondContact CE-O 3.35Å; K477-P506 HydrophobicContact CG-CB 4Å; K477-P506 HydrophobicContact CG-CG 4.22Å; K477-P506 PolarHBondContact NZ-O 3.25Å; P506-K508 PolarHBondContact O-N 2.79Å
507	D	85.1	Confident	83.8	Confident	30 Å²	30	63.3 Å²	63.3	16%	0.16	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-15.1	174.6	-41.7	-85.2	0	0	0	113.2	F505 D512 R518	F505-D507 PolarHBondContact O-N 3.42Å; D507-D512 HydrophobicContact CB-CB 3.81Å; D507-R518 IonicContact OD1-CZ 3.92Å; D507-R518 IonicContact OD1-NE 3.68Å; D507-R518 PolarHBondContact OD1-NE 2.98Å; D507-R518 IonicContact OD1-NH2 3.52Å; D507-R518 PolarHBondContact OD1-NH2 3.3Å; D507-R518 WeakPolarHBondContact OD2-CD 3.27Å; D507-R518 IonicContact OD2-CZ 3.88Å; D507-R518 IonicContact OD2-NE 2.81Å; D507-R518 PolarHBondContact OD2-NE 2.02Å; D507-R518 IonicContact OD2-NH2 3.24Å
508	K	83.3	Confident	85.1	Confident	169 Å²	169	56.3 Å²	56.3	74%	0.735	28%	0.278	S	S	*	.	S	Bend	trans	79.9	-5.1	-174.5	-48.3	173	-177.7	175.7	0	116.6	F505 P506	F505-K508 PolarHBondContact O-N 2.99Å; P506-K508 PolarHBondContact O-N 2.79Å
509	S	86.9	Confident	86.4	Confident	20 Å²	20	54.1 Å²	54.1	14%	0.14	27%	0.268	C	S	.	.	S	Bend	trans	-146.5	160	166.7	84.4	0	0	0	0	112.7	D502 A511 D512 A513	D502-S509 WeakPolarHBondContact OD1-CA 3.32Å; D502-S509 WeakPolarHBondContact OD1-CB 3.48Å; S509-A511 VanDerWaalsContact C-N 3.26Å; S509-A511 PolarHBondContact O-N 2.91Å; S509-A511 PolarHBondContact OG-N 3.24Å; S509-D512 WeakPolarHBondContact CB-OD2 3.33Å; S509-D512 WeakPolarHBondContact OG-CB 3.44Å; S509-D512 PolarHBondContact OG-N 3.01Å; S509-D512 PolarHBondContact OG-OD2 2.99Å; S509-A513 PolarHBondContact O-N 3.43Å
510	V	86.1	Confident	87.3	Confident	14 Å²	14	47 Å²	47	9%	0.085	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-33.8	172.3	-174.8	0	0	0	0	111.2	W492 Q493 D502 F505	W492-V510 HydrophobicContact CB-CG1 3.72Å; Q493-V510 HydrophobicContact CB-CG1 4.27Å; D502-V510 PolarHBondContact OD1-N 2.99Å; F505-V510 HydrophobicContact CD2-CB 4.49Å; F505-V510 HydrophobicContact CD2-CG2 3.92Å; F505-V510 HydrophobicContact CE2-CB 4.33Å; F505-V510 HydrophobicContact CE2-CG1 4.35Å; F505-V510 HydrophobicContact CE2-CG2 3.74Å
511	A	85.2	Confident	87.5	Confident	54 Å²	54	48.9 Å²	48.9	45%	0.446	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-41.1	-178.2	0	0	0	0	0	112.2	S509 A513 N514	S509-A511 VanDerWaalsContact C-N 3.26Å; S509-A511 PolarHBondContact O-N 2.91Å; S509-A511 PolarHBondContact OG-N 3.24Å; A511-A513 VanDerWaalsContact C-N 3.28Å; A511-A513 PolarHBondContact O-N 3.29Å; A511-N514 WeakPolarHBondContact O-CA 3.33Å; A511-N514 PolarHBondContact O-N 3.13Å
512	D	86.2	Confident	87.8	Confident	103 Å²	103	46.2 Å²	46.2	55%	0.551	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-28.3	179.1	-64.3	-55.5	0	0	0	112.3	D507 S509 N514	D507-D512 HydrophobicContact CB-CB 3.81Å; S509-D512 WeakPolarHBondContact CB-OD2 3.33Å; S509-D512 WeakPolarHBondContact OG-CB 3.44Å; S509-D512 PolarHBondContact OG-N 3.01Å; S509-D512 PolarHBondContact OG-OD2 2.99Å; D512-N514 PolarHBondContact O-N 3.4Å
513	A	86.4	Confident	87.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.7	169.8	0	0	0	0	0	113.5	W492 F505 S509 A511 N515 Y516 R518	W492-A513 HydrophobicContact CG-CB 4.45Å; F505-A513 HydrophobicContact CB-CB 4.46Å; F505-A513 HydrophobicContact CD1-CB 3.45Å; F505-A513 VanDerWaalsContact CD1-CB 3.45Å; F505-A513 HydrophobicContact CE1-CB 3.95Å; F505-A513 HydrophobicContact CG-CB 4.12Å; S509-A513 PolarHBondContact O-N 3.43Å; A511-A513 VanDerWaalsContact C-N 3.28Å; A511-A513 PolarHBondContact O-N 3.29Å; A513-N515 PolarHBondContact O-N 2.88Å; A513-N515 VanDerWaalsContact O-N 3.15Å; A513-Y516 WeakPolarHBondContact O-CB 3.47Å; A513-Y516 WeakPolarHBondContact O-CD2 3.46Å; A513-Y516 PolarHBondContact O-N 2.9Å; A513-R518 HydrophobicContact CB-CG 4.16Å
514	N	89.7	Confident	87.7	Confident	11 Å²	11	39 Å²	39	6%	0.059	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	-114	175.6	-169.6	11	0	0	0	112.5	R491 W492 A511 D512 Y516	R491-N514 CarbonylContact C-O 3.58Å; R491-N514 WeakPolarHBondContact CA-O 3.37Å; R491-N514 PolarHBondContact NE-OD1 2.94Å; R491-N514 PolarHBondContact NH1-OD1 3.18Å; W492-N514 VanDerWaalsContact CD1-O 3.3Å; W492-N514 PolarHBondContact N-O 3Å; A511-N514 WeakPolarHBondContact O-CA 3.33Å; A511-N514 PolarHBondContact O-N 3.13Å; D512-N514 PolarHBondContact O-N 3.4Å; N514-Y516 HydrophobicContact CB-CD1 4.23Å; N514-Y516 HydrophobicContact CB-CD2 4.1Å; N514-Y516 HydrophobicContact CB-CE1 3.71Å; N514-Y516 HydrophobicContact CB-CE2 3.61Å; N514-Y516 HydrophobicContact CB-CG 4.4Å; N514-Y516 VanDerWaalsContact CB-CZ 3.4Å; N514-Y516 VanDerWaalsContact ND2-CE1 3.33Å; N514-Y516 WeakPolarHBondContact ND2-CE1 3.46Å; N514-Y516 VanDerWaalsContact ND2-CZ 3.32Å; N514-Y516 PolarHBondContact ND2-OH 3.03Å
515	N	91.6	Very high	87.5	Confident	14 Å²	14	35.8 Å²	35.8	8%	0.075	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	23.4	168.4	71.7	-35.7	0	0	0	112.3	C489 E490 R491 A513	C489-N515 HydrophobicContact CB-CB 4.18Å; C489-N515 WeakPolarHBondContact CB-O 3.14Å; C489-N515 WeakPolarHBondContact O-CB 3.38Å; C489-N515 PolarHBondContact O-ND2 3.21Å; E490-N515 WeakPolarHBondContact O-CA 3.44Å; E490-N515 VanDerWaalsContact O-CB 3.28Å; E490-N515 WeakPolarHBondContact O-CB 3.2Å; R491-N515 HydrophobicContact CB-CB 4.45Å; R491-N515 HydrophobicContact CG-CB 3.94Å; A513-N515 PolarHBondContact O-N 2.88Å; A513-N515 VanDerWaalsContact O-N 3.15Å
516	Y	91.5	Very high	87.4	Confident	25 Å²	25	35.5 Å²	35.5	10%	0.098	19%	0.189	C	C	.	.	S	Bend	trans	-81.5	150.7	-177.2	-41	-37.1	0	0	0	109.9	E457 T480 A481 W492 A513 N514 R518	E457-Y516 VanDerWaalsContact CD-CE1 3.48Å; E457-Y516 HydrophobicContact CG-CE1 4.1Å; E457-Y516 PolarHBondContact OE1-OH 3.5Å; E457-Y516 WeakPolarHBondContact OE2-CE1 3.31Å; E457-Y516 PolarHBondContact OE2-OH 2.99Å; T480-Y516 WeakPolarHBondContact O-CA 3.41Å; A481-Y516 HydrophobicContact CB-CD1 4.3Å; W492-Y516 PolarHBondContact NE1-O 2.8Å; A513-Y516 WeakPolarHBondContact O-CB 3.47Å; A513-Y516 WeakPolarHBondContact O-CD2 3.46Å; A513-Y516 PolarHBondContact O-N 2.9Å; N514-Y516 HydrophobicContact CB-CD1 4.23Å; N514-Y516 HydrophobicContact CB-CD2 4.1Å; N514-Y516 HydrophobicContact CB-CE1 3.71Å; N514-Y516 HydrophobicContact CB-CE2 3.61Å; N514-Y516 HydrophobicContact CB-CG 4.4Å; N514-Y516 VanDerWaalsContact CB-CZ 3.4Å; N514-Y516 VanDerWaalsContact ND2-CE1 3.33Å; N514-Y516 WeakPolarHBondContact ND2-CE1 3.46Å; N514-Y516 VanDerWaalsContact ND2-CZ 3.32Å; N514-Y516 PolarHBondContact ND2-OH 3.03Å; Y516-R518 VanDerWaalsContact CB-NH1 3.32Å; Y516-R518 PolarHBondContact O-N 2.98Å
517	C	91.1	Very high	87.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.182	C	C	.	.			trans	-67.9	131.1	-178.8	-61.3	0	0	0	0	111.4	Y476 T480 R482 P527 W528 C542 F543	Y476-C517 WeakPolarHBondContact CD1-O 3.35Å; Y476-C517 HydrophobicContact CE1-CB 4.4Å; Y476-C517 VanDerWaalsContact CE1-O 3.25Å; Y476-C517 WeakPolarHBondContact CE1-O 3.14Å; T480-C517 PolarHBondContact O-N 2.97Å; T480-C517 PolarHBondContact O-SG 3.26Å; T480-C517 VanDerWaalsContact O-SG 3.32Å; R482-C517 PolarHBondContact O-SG 3.07Å; C517-P527 HydrophobicContact CB-CB 4.19Å; C517-W528 WeakPolarHBondContact CA-O 3.13Å; C517-C542 HydrophobicContact CB-CB 3.39Å; C517-C542 WeakPolarHBondContact CB-SG 3.01Å; C517-C542 WeakPolarHBondContact SG-CB 3.07Å; C517-C542 CovalentContact SG-SG 2.01Å; C517-C542 PolarHBondContact SG-SG 3.26Å; C517-F543 HydrophobicContact CB-CE2 4.28Å
518	R	92.9	Very high	87.9	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-142.9	162.5	-174.5	-65.2	-62.5	-178	-98.9	5.4	110.6	Y476 K477 G478 W492 F505 D507 A513 Y516 P520 P527 W528	Y476-R518 VanDerWaalsContact O-CD 3.27Å; Y476-R518 WeakPolarHBondContact O-CD 3.48Å; Y476-R518 PolarHBondContact O-NE 3.22Å; K477-R518 PolarHBondContact O-NH2 2.03Å; G478-R518 PolarHBondContact O-NH1 2.82Å; G478-R518 PolarHBondContact O-NH2 2.91Å; W492-R518 HydrophobicContact CZ2-CB 3.78Å; W492-R518 HydrophobicContact CZ2-CG 4.48Å; F505-R518 HydrophobicContact CD1-CB 4.08Å; F505-R518 HydrophobicContact CD1-CG 4.07Å; F505-R518 HydrophobicContact CE1-CB 4.12Å; F505-R518 HydrophobicContact CE1-CG 4.39Å; D507-R518 IonicContact OD1-CZ 3.92Å; D507-R518 IonicContact OD1-NE 3.68Å; D507-R518 PolarHBondContact OD1-NE 2.98Å; D507-R518 IonicContact OD1-NH2 3.52Å; D507-R518 PolarHBondContact OD1-NH2 3.3Å; D507-R518 WeakPolarHBondContact OD2-CD 3.27Å; D507-R518 IonicContact OD2-CZ 3.88Å; D507-R518 IonicContact OD2-NE 2.81Å; D507-R518 PolarHBondContact OD2-NE 2.02Å; D507-R518 IonicContact OD2-NH2 3.24Å; A513-R518 HydrophobicContact CB-CG 4.16Å; Y516-R518 VanDerWaalsContact CB-NH1 3.32Å; Y516-R518 PolarHBondContact O-N 2.98Å; R518-P520 VanDerWaalsContact C-CD 3.44Å; R518-P520 WeakPolarHBondContact O-CD 3.27Å; R518-P527 WeakPolarHBondContact O-CA 3.27Å; R518-W528 PolarHBondContact N-O 2.82Å; R518-W528 PolarHBondContact O-N 2.91Å; R518-W528 VanDerWaalsContact O-O 3.11Å
519	N	92.1	Very high	88.3	Confident	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.141	C	C	.	.			trans	-125.4	67.5	-179.8	-166.9	-8.7	0	0	0	111.4	Y472 D521 K522 S523 G526 P527	Y472-N519 PolarHBondContact O-ND2 2.9Å; N519-D521 PolarHBondContact OD1-OD1 2.88Å; N519-K522 PolarHBondContact O-N 3.38Å; N519-K522 WeakPolarHBondContact OD1-CA 3.31Å; N519-K522 PolarHBondContact OD1-N 3.16Å; N519-S523 PolarHBondContact ND2-O 2.81Å; N519-S523 PolarHBondContact OD1-N 3.45Å; N519-G526 PolarHBondContact ND2-O 2.57Å; N519-P527 HydrophobicContact CB-CB 4.48Å; N519-P527 HydrophobicContact CB-CG 4.37Å
520	P	90.6	Very high	88.5	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.019	14%	0.139	C	C	.	.	S	Bend	trans	-74.1	-28	-173	31	-36.1	0	0	0	113.7	W492 F500 H504 F505 R518 W528	W492-P520 HydrophobicContact CH2-CG 4.3Å; W492-P520 HydrophobicContact CZ3-CG 4.22Å; F500-P520 HydrophobicContact CB-CB 4.15Å; F500-P520 HydrophobicContact CD1-CB 3.76Å; F500-P520 HydrophobicContact CD1-CG 3.97Å; F500-P520 HydrophobicContact CD2-CB 4.15Å; F500-P520 HydrophobicContact CD2-CG 3.63Å; F500-P520 HydrophobicContact CE1-CB 4.23Å; F500-P520 HydrophobicContact CE1-CG 4.09Å; F500-P520 HydrophobicContact CE2-CG 3.77Å; F500-P520 HydrophobicContact CG-CB 3.73Å; F500-P520 HydrophobicContact CG-CG 3.75Å; F500-P520 HydrophobicContact CZ-CG 4Å; H504-P520 HydrophobicContact CB-CB 3.7Å; F505-P520 HydrophobicContact CE1-CB 4.3Å; F505-P520 HydrophobicContact CE1-CG 4.29Å; F505-P520 HydrophobicContact CE2-CB 4.38Å; F505-P520 HydrophobicContact CZ-CB 4.17Å; F505-P520 HydrophobicContact CZ-CG 4.2Å; R518-P520 VanDerWaalsContact C-CD 3.44Å; R518-P520 WeakPolarHBondContact O-CD 3.27Å; P520-W528 HydrophobicContact CG-CZ2 4.3Å
521	D	87.2	Confident	88.6	Confident	74 Å²	74	25.3 Å²	25.3	40%	0.396	14%	0.137	S	C	.	.	S	Bend	trans	-82.9	-16.6	175.3	62.5	-25.4	0	0	0	113.5	F500 N519 S523 W528	F500-D521 HydrophobicContact CE1-CB 3.73Å; F500-D521 HydrophobicContact CZ-CB 3.84Å; N519-D521 PolarHBondContact OD1-OD1 2.88Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 2.81Å; D521-S523 WeakPolarHBondContact OD2-CB 3.29Å; D521-W528 PolarHBondContact OD1-NE1 3.29Å
522	K	86.5	Confident	88.6	Confident	127 Å²	127	28.3 Å²	28.3	55%	0.552	14%	0.14	S	C	*	.			trans	72.2	27.8	-172.3	-45.2	158.6	-167.7	158.4	0	112.7	Y472 R474 N519	Y472-K522 WeakPolarHBondContact CD2-O 3.35Å; R474-K522 HydrophobicContact CG-CB 4.41Å; R474-K522 HydrophobicContact CG-CG 4.42Å; N519-K522 PolarHBondContact O-N 3.38Å; N519-K522 WeakPolarHBondContact OD1-CA 3.31Å; N519-K522 PolarHBondContact OD1-N 3.16Å
523	S	85.5	Confident	88	Confident	14 Å²	14	26.7 Å²	26.7	10%	0.098	13%	0.131	C	C	.	.			trans	-36.5	133.2	172.1	174.5	0	0	0	0	112.7	N519 D521 C525 G526	N519-S523 PolarHBondContact ND2-O 2.81Å; N519-S523 PolarHBondContact OD1-N 3.45Å; D521-S523 WeakPolarHBondContact OD1-CB 3.41Å; D521-S523 PolarHBondContact OD1-N 2.81Å; D521-S523 WeakPolarHBondContact OD2-CB 3.29Å; S523-C525 PolarHBondContact O-N 2.94Å; S523-C525 PolarHBondContact OG-N 2.95Å; S523-G526 PolarHBondContact O-N 2.64Å
524	P	83.8	Confident	87.6	Confident	57 Å²	57	30 Å²	30	37%	0.37	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.3	177.2	30	-35.9	0	0	0	112.6	R467 Y472 G526	R467-P524 PolarHBondContact NH1-O 2.71Å; R467-P524 PolarHBondContact NH2-O 3.39Å; Y472-P524 HydrophobicContact CE1-CB 4.49Å; P524-G526 VanDerWaalsContact C-N 3.33Å
525	C	80.7	Confident	86.9	Confident	1 Å²	1	36 Å²	36	1%	0.007	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.8	177.4	-66.6	0	0	0	0	113.6	R467 S523 P541 T840 H844 C847	R467-C525 PolarHBondContact NE-O 2.84Å; R467-C525 PolarHBondContact NH2-O 3.21Å; S523-C525 PolarHBondContact O-N 2.94Å; S523-C525 PolarHBondContact OG-N 2.95Å; C525-P541 HydrophobicContact CB-CG 3.85Å; C525-T840 HydrophobicContact CB-CG2 3.95Å; C525-H844 VanDerWaalsContact SG-CB 3.52Å; C525-C847 HydrophobicContact CB-CB 3.69Å; C525-C847 WeakPolarHBondContact CB-SG 3.41Å; C525-C847 WeakPolarHBondContact SG-CB 3.36Å; C525-C847 CovalentContact SG-SG 2.03Å; C525-C847 PolarHBondContact SG-SG 3.42Å
526	G	86.7	Confident	86.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.222	C	C	.	.			trans	102.6	-159.6	174.2	0	0	0	0	0	114.4	R467 Y472 N519 S523 P524 W528	R467-G526 VanDerWaalsContact CD-CA 3.43Å; Y472-G526 WeakPolarHBondContact O-CA 3.09Å; N519-G526 PolarHBondContact ND2-O 2.57Å; S523-G526 PolarHBondContact O-N 2.64Å; P524-G526 VanDerWaalsContact C-N 3.33Å; G526-W528 PolarHBondContact O-N 3.35Å
527	P	90.7	Very high	85.8	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-65.9	129.4	175.5	-19.4	33.1	0	0	0	110.4	M473 Y476 C517 R518 N519 C542 F543	M473-P527 HydrophobicContact CB-CG 3.52Å; M473-P527 HydrophobicContact CE-CG 4.16Å; Y476-P527 HydrophobicContact CD1-CB 4.1Å; Y476-P527 HydrophobicContact CD1-CG 4.08Å; Y476-P527 HydrophobicContact CG-CG 4.29Å; C517-P527 HydrophobicContact CB-CB 4.19Å; R518-P527 WeakPolarHBondContact O-CA 3.27Å; N519-P527 HydrophobicContact CB-CB 4.48Å; N519-P527 HydrophobicContact CB-CG 4.37Å; P527-C542 PolarHBondContact O-N 3.32Å; P527-F543 HydrophobicContact CB-CD2 4Å; P527-F543 HydrophobicContact CB-CE2 3.99Å; P527-F543 HydrophobicContact CG-CD2 4.05Å; P527-F543 HydrophobicContact CG-CE2 4.18Å
528	W	91.5	Very high	85.6	Confident	12 Å²	12	41.8 Å²	41.8	5%	0.045	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	175.4	-178.2	57.3	-93.1	0	0	0	109	W492 F500 C517 R518 P520 D521 G526 Y530 H539 E540	W492-W528 AromaticContact CH2-CD2 3.97Å; W492-W528 HydrophobicContact CH2-CD2 3.97Å; W492-W528 AromaticContact CH2-CE3 3.69Å; W492-W528 HydrophobicContact CH2-CE3 3.69Å; W492-W528 HydrophobicContact CH2-CH2 4.02Å; W492-W528 HydrophobicContact CH2-CZ2 4.24Å; W492-W528 AromaticContact CH2-CZ3 3.72Å; W492-W528 HydrophobicContact CH2-CZ3 3.72Å; W492-W528 VanDerWaalsContact CZ2-O 3.28Å; W492-W528 WeakPolarHBondContact CZ2-O 2.99Å; W492-W528 HydrophobicContact CZ3-CE3 4.16Å; W492-W528 AromaticContact CZ3-CH2 3.74Å; W492-W528 HydrophobicContact CZ3-CH2 3.74Å; W492-W528 HydrophobicContact CZ3-CZ2 4.23Å; W492-W528 AromaticContact CZ3-CZ3 3.68Å; W492-W528 HydrophobicContact CZ3-CZ3 3.68Å; F500-W528 AromaticContact CE2-CH2 3.77Å; F500-W528 HydrophobicContact CE2-CH2 3.77Å; F500-W528 AromaticContact CE2-CZ2 3.72Å; F500-W528 HydrophobicContact CE2-CZ2 3.72Å; F500-W528 HydrophobicContact CZ-CH2 4.35Å; F500-W528 AromaticContact CZ-CZ2 3.92Å; F500-W528 HydrophobicContact CZ-CZ2 3.92Å; C517-W528 WeakPolarHBondContact CA-O 3.13Å; R518-W528 PolarHBondContact N-O 2.82Å; R518-W528 PolarHBondContact O-N 2.91Å; R518-W528 VanDerWaalsContact O-O 3.11Å; P520-W528 HydrophobicContact CG-CZ2 4.3Å; D521-W528 PolarHBondContact OD1-NE1 3.29Å; G526-W528 PolarHBondContact O-N 3.35Å; W528-Y530 HydrophobicContact CH2-CD2 4.42Å; W528-Y530 HydrophobicContact CH2-CE1 4.27Å; W528-Y530 AromaticContact CH2-CE2 3.71Å; W528-Y530 HydrophobicContact CH2-CE2 3.71Å; W528-Y530 AromaticContact CH2-CZ 3.63Å; W528-Y530 HydrophobicContact CZ3-CD1 4.16Å; W528-Y530 AromaticContact CZ3-CD2 3.79Å; W528-Y530 HydrophobicContact CZ3-CD2 3.79Å; W528-Y530 AromaticContact CZ3-CE1 3.91Å; W528-Y530 HydrophobicContact CZ3-CE1 3.91Å; W528-Y530 AromaticContact CZ3-CE2 3.53Å; W528-Y530 HydrophobicContact CZ3-CE2 3.53Å; W528-Y530 HydrophobicContact CZ3-CG 4.11Å; W528-Y530 AromaticContact CZ3-CZ 3.6Å; W528-H539 HydrophobicContact CE3-CB 3.64Å; W528-H539 HydrophobicContact CZ3-CB 3.64Å; W528-E540 VanDerWaalsContact CA-O 3.29Å; W528-E540 WeakPolarHBondContact CA-O 3.38Å; W528-E540 VanDerWaalsContact CB-O 3.26Å; W528-E540 WeakPolarHBondContact CB-O 2.93Å
529	C	91.8	Very high	85.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.2	166.6	72.8	0	0	0	0	110.7	T483 C489 W492 H539 E540	T483-C529 VanDerWaalsContact CG2-SG 3.53Å; C489-C529 VanDerWaalsContact CA-SG 3.53Å; C489-C529 HydrophobicContact CB-CB 3.61Å; C489-C529 WeakPolarHBondContact CB-SG 3.14Å; C489-C529 WeakPolarHBondContact SG-CB 3.04Å; C489-C529 CovalentContact SG-SG 2.02Å; C489-C529 PolarHBondContact SG-SG 3.47Å; W492-C529 HydrophobicContact CZ2-CB 4.39Å; C529-H539 WeakPolarHBondContact O-CA 3.46Å; C529-E540 PolarHBondContact N-O 3.33Å; C529-E540 VanDerWaalsContact N-O 3.09Å; C529-E540 PolarHBondContact O-N 3.11Å; C529-E540 VanDerWaalsContact O-N 3.16Å
530	Y	91.2	Very high	84.9	Confident	23 Å²	23	43.6 Å²	43.6	9%	0.09	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	147	166.8	-67.8	-78.2	0	0	0	110.5	C489 E490 W492 V495 H498 W528 L537 K538 H539	C489-Y530 CarbonylContact C-O 3.53Å; C489-Y530 WeakPolarHBondContact CA-O 3.44Å; E490-Y530 PolarHBondContact N-O 2.8Å; W492-Y530 AromaticContact CE3-CD2 3.87Å; W492-Y530 HydrophobicContact CE3-CD2 3.87Å; W492-Y530 AromaticContact CE3-CE2 3.87Å; W492-Y530 HydrophobicContact CE3-CE2 3.87Å; W492-Y530 AromaticContact CZ3-CD2 3.79Å; W492-Y530 HydrophobicContact CZ3-CD2 3.79Å; W492-Y530 AromaticContact CZ3-CE2 3.64Å; W492-Y530 HydrophobicContact CZ3-CE2 3.64Å; V495-Y530 HydrophobicContact CB-CD2 4.14Å; V495-Y530 HydrophobicContact CB-CE2 4.42Å; V495-Y530 HydrophobicContact CG1-CD1 4.25Å; V495-Y530 HydrophobicContact CG1-CD2 3.75Å; V495-Y530 HydrophobicContact CG1-CE1 4.22Å; V495-Y530 HydrophobicContact CG1-CE2 3.7Å; V495-Y530 HydrophobicContact CG1-CG 4.02Å; V495-Y530 HydrophobicContact CG2-CD2 3.85Å; V495-Y530 HydrophobicContact CG2-CG 3.94Å; H498-Y530 HydrophobicContact CB-CE2 4.31Å; W528-Y530 HydrophobicContact CH2-CD2 4.42Å; W528-Y530 HydrophobicContact CH2-CE1 4.27Å; W528-Y530 AromaticContact CH2-CE2 3.71Å; W528-Y530 HydrophobicContact CH2-CE2 3.71Å; W528-Y530 AromaticContact CH2-CZ 3.63Å; W528-Y530 HydrophobicContact CZ3-CD1 4.16Å; W528-Y530 AromaticContact CZ3-CD2 3.79Å; W528-Y530 HydrophobicContact CZ3-CD2 3.79Å; W528-Y530 AromaticContact CZ3-CE1 3.91Å; W528-Y530 HydrophobicContact CZ3-CE1 3.91Å; W528-Y530 AromaticContact CZ3-CE2 3.53Å; W528-Y530 HydrophobicContact CZ3-CE2 3.53Å; W528-Y530 HydrophobicContact CZ3-CG 4.11Å; W528-Y530 AromaticContact CZ3-CZ 3.6Å; Y530-L537 HydrophobicContact CD1-CD2 3.77Å; Y530-L537 HydrophobicContact CD1-CG 4.05Å; Y530-L537 HydrophobicContact CE1-CD2 4.32Å; Y530-L537 HydrophobicContact CG-CD2 4.13Å; Y530-L537 HydrophobicContact CG-CG 4.46Å; Y530-K538 CarbonylContact C-O 3.59Å; Y530-K538 VanDerWaalsContact CA-O 3.28Å; Y530-K538 WeakPolarHBondContact CA-O 3.3Å; Y530-H539 HydrophobicContact CD1-CB 4.04Å; Y530-H539 HydrophobicContact CE1-CB 4.27Å
531	Y	87.9	Confident	84.6	Confident	9 Å²	9	43.5 Å²	43.5	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.3	171.1	71.7	-79.7	0	0	0	110	T483 Y487 N533 K538 E540	T483-Y531 HydrophobicContact CG2-CD1 3.96Å; T483-Y531 HydrophobicContact CG2-CG 4.36Å; Y487-Y531 HydrophobicContact CD1-CD2 4Å; Y487-Y531 HydrophobicContact CD1-CE2 4.11Å; Y487-Y531 AromaticContact CD2-CD2 3.81Å; Y487-Y531 HydrophobicContact CD2-CD2 3.81Å; Y487-Y531 HydrophobicContact CD2-CE1 4.41Å; Y487-Y531 AromaticContact CD2-CE2 3.55Å; Y487-Y531 HydrophobicContact CD2-CE2 3.55Å; Y487-Y531 HydrophobicContact CD2-CG 4.34Å; Y487-Y531 AromaticContact CD2-CZ 3.88Å; Y487-Y531 HydrophobicContact CE1-CE2 4.31Å; Y487-Y531 HydrophobicContact CE2-CD2 4.45Å; Y487-Y531 AromaticContact CE2-CE2 3.78Å; Y487-Y531 HydrophobicContact CE2-CE2 3.78Å; Y487-Y531 AromaticContact CG-CD2 3.56Å; Y487-Y531 HydrophobicContact CG-CD2 3.56Å; Y487-Y531 AromaticContact CG-CE2 3.74Å; Y487-Y531 HydrophobicContact CG-CE2 3.74Å; Y487-Y531 HydrophobicContact CG-CG 4.17Å; Y531-N533 HydrophobicContact CE2-CB 4.08Å; Y531-K538 HydrophobicContact CD1-CB 4.19Å; Y531-K538 HydrophobicContact CE1-CB 3.55Å; Y531-K538 HydrophobicContact CE2-CB 4.24Å; Y531-K538 PolarHBondContact N-O 3.38Å; Y531-K538 PolarHBondContact O-N 2.69Å; Y531-E540 HydrophobicContact CD1-CB 4.19Å; Y531-E540 HydrophobicContact CE1-CB 3.71Å
532	K	85	Confident	84.5	Confident	117 Å²	117	40.6 Å²	40.6	51%	0.509	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	133.4	172.1	-69.6	-170.2	-162.3	91.2	0	111	E490 D536 L537	E490-K532 HydrophobicContact CG-CG 4.09Å; E490-K532 WeakPolarHBondContact OE1-CG 3.46Å; E490-K532 IonicContact OE1-NZ 2.7Å; E490-K532 PolarHBondContact OE1-NZ 3.23Å; E490-K532 IonicContact OE2-NZ 2.66Å; E490-K532 PolarHBondContact OE2-NZ 2.85Å; K532-D536 WeakPolarHBondContact CA-O 2.99Å; K532-L537 HydrophobicContact CG-CD1 3.96Å
533	N	74.5	Confident	84	Confident	68 Å²	68	35.1 Å²	35.1	36%	0.364	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	97	165.8	-167.9	-12.4	0	0	0	108	Y531 T535 D536 K538	Y531-N533 HydrophobicContact CE2-CB 4.08Å; N533-T535 PolarHBondContact O-N 3.43Å; N533-D536 PolarHBondContact N-O 2.88Å; N533-D536 PolarHBondContact O-N 2.67Å; N533-K538 HydrophobicContact CB-CD 4.11Å
534	G	76.5	Confident	83.1	Confident	71 Å²	71	35.6 Å²	35.6	73%	0.732	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.3	-121	-170.1	0	0	0	0	0	112.1	D536	G534-D536 VanDerWaalsContact C-N 3.34Å
535	T	76.5	Confident	82.1	Confident	135 Å²	135	33.3 Å²	33.3	83%	0.828	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.9	172.6	41.6	0	0	0	0	113.5	N533	N533-T535 PolarHBondContact O-N 3.43Å
536	D	77.4	Confident	81	Confident	91 Å²	91	34.6 Å²	34.6	49%	0.487	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	138.3	-159.4	-53.8	-15.6	0	0	0	109.9	K532 N533 G534	K532-D536 WeakPolarHBondContact CA-O 2.99Å; N533-D536 PolarHBondContact N-O 2.88Å; N533-D536 PolarHBondContact O-N 2.67Å; G534-D536 VanDerWaalsContact C-N 3.34Å
537	L	82.3	Confident	79.4	Confident	55 Å²	55	38.3 Å²	38.3	29%	0.288	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.9	178.8	-168.9	80.8	0	0	0	109.2	E490 V495 Y530 K532	E490-L537 HydrophobicContact CG-CD1 4.04Å; V495-L537 HydrophobicContact CB-CD2 4.13Å; V495-L537 HydrophobicContact CG1-CD2 3.38Å; V495-L537 HydrophobicContact CG2-CD1 4.34Å; V495-L537 HydrophobicContact CG2-CD2 3.8Å; Y530-L537 HydrophobicContact CD1-CD2 3.77Å; Y530-L537 HydrophobicContact CD1-CG 4.05Å; Y530-L537 HydrophobicContact CE1-CD2 4.32Å; Y530-L537 HydrophobicContact CG-CD2 4.13Å; Y530-L537 HydrophobicContact CG-CG 4.46Å; K532-L537 HydrophobicContact CG-CD1 3.96Å
538	K	85.6	Confident	77.3	Confident	15 Å²	15	44.9 Å²	44.9	7%	0.065	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	166.4	179.3	-67.7	177.5	174	-168.2	0	109.9	Y530 Y531 N533 Q849 D850	Y530-K538 CarbonylContact C-O 3.59Å; Y530-K538 VanDerWaalsContact CA-O 3.28Å; Y530-K538 WeakPolarHBondContact CA-O 3.3Å; Y531-K538 HydrophobicContact CD1-CB 4.19Å; Y531-K538 HydrophobicContact CE1-CB 3.55Å; Y531-K538 HydrophobicContact CE2-CB 4.24Å; Y531-K538 PolarHBondContact N-O 3.38Å; Y531-K538 PolarHBondContact O-N 2.69Å; N533-K538 HydrophobicContact CB-CD 4.11Å; K538-Q849 WeakPolarHBondContact CD-O 3.05Å; K538-D850 VanDerWaalsContact NZ-CB 3.33Å; K538-D850 PolarHBondContact NZ-O 3.23Å
539	H	86.6	Confident	75.1	Confident	39 Å²	39	47.1 Å²	47.1	18%	0.181	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.9	169.3	64.8	34.6	0	0	0	111.8	W528 C529 Y530 C847	W528-H539 HydrophobicContact CE3-CB 3.64Å; W528-H539 HydrophobicContact CZ3-CB 3.64Å; C529-H539 WeakPolarHBondContact O-CA 3.46Å; Y530-H539 HydrophobicContact CD1-CB 4.04Å; Y530-H539 HydrophobicContact CE1-CB 4.27Å; H539-C847 PolarHBondContact ND1-O 3.17Å
540	E	83.4	Confident	72.9	Confident	5 Å²	5	54.9 Å²	54.9	2%	0.023	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	146.3	179.2	-176.7	178.3	-87.2	0	0	110.4	T483 I484 H485 W528 C529 Y531	T483-E540 WeakPolarHBondContact CB-OE2 3Å; T483-E540 HydrophobicContact CG2-CB 3.92Å; T483-E540 HydrophobicContact CG2-CG 4.49Å; T483-E540 PolarHBondContact OG1-OE2 2.05Å; I484-E540 HydrophobicContact CD1-CG 4.32Å; I484-E540 HydrophobicContact CG1-CG 3.79Å; I484-E540 WeakPolarHBondContact CG1-OE2 3.47Å; I484-E540 PolarHBondContact N-OE2 3.24Å; H485-E540 WeakPolarHBondContact CB-OE2 3.43Å; H485-E540 IonicContact CE1-OE1 2.69Å; H485-E540 IonicContact CG-OE1 2.92Å; H485-E540 IonicContact CG-OE2 2.63Å; H485-E540 PolarHBondContact N-OE2 3.36Å; H485-E540 VanDerWaalsContact ND1-CD 3.26Å; H485-E540 IonicContact ND1-OE1 3.13Å; H485-E540 PolarHBondContact ND1-OE1 2.77Å; H485-E540 IonicContact ND1-OE2 3.71Å; H485-E540 PolarHBondContact ND1-OE2 3.05Å; W528-E540 VanDerWaalsContact CA-O 3.29Å; W528-E540 WeakPolarHBondContact CA-O 3.38Å; W528-E540 VanDerWaalsContact CB-O 3.26Å; W528-E540 WeakPolarHBondContact CB-O 2.93Å; C529-E540 PolarHBondContact N-O 3.33Å; C529-E540 VanDerWaalsContact N-O 3.09Å; C529-E540 PolarHBondContact O-N 3.11Å; C529-E540 VanDerWaalsContact O-N 3.16Å; Y531-E540 HydrophobicContact CD1-CB 4.19Å; Y531-E540 HydrophobicContact CE1-CB 3.71Å
541	P	86.1	Confident	70.4	Confident	1 Å²	1	63 Å²	63	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	157	170.1	-25.9	36.4	0	0	0	112.9	T483 I484 C525 C847	T483-P541 CarbonylContact C-O 3.51Å; T483-P541 WeakPolarHBondContact CA-O 3.43Å; I484-P541 HydrophobicContact CG2-CB 4.46Å; I484-P541 PolarHBondContact N-O 3.44Å; C525-P541 HydrophobicContact CB-CG 3.85Å; P541-C847 HydrophobicContact CG-CB 4.31Å
542	C	84.5	Confident	68.2	Low	12 Å²	12	66.2 Å²	66.2	8%	0.081	36%	0.357	C	S	.	.	S	Bend	trans	-111.5	-4.8	176	-57.6	0	0	0	0	114.4	T480 R482 C517 P527	T480-C542 HydrophobicContact CG2-CB 4.36Å; R482-C542 WeakPolarHBondContact O-CB 3.43Å; R482-C542 PolarHBondContact O-SG 3.04Å; C517-C542 HydrophobicContact CB-CB 3.39Å; C517-C542 WeakPolarHBondContact CB-SG 3.01Å; C517-C542 WeakPolarHBondContact SG-CB 3.07Å; C517-C542 CovalentContact SG-SG 2.01Å; C517-C542 PolarHBondContact SG-SG 3.26Å; P527-C542 PolarHBondContact O-N 3.32Å
543	F	76.3	Confident	66.3	Low	13 Å²	13	65.1 Å²	65.1	6%	0.057	36%	0.362	C	S	.	.	S	Bend	trans	-133.6	119.1	-177.9	-63.5	-84.1	0	0	0	109.3	R467 M473 Y476 T480 C517 P527	R467-F543 HydrophobicContact CB-CB 3.87Å; M473-F543 HydrophobicContact CE-CD1 4.16Å; M473-F543 HydrophobicContact CE-CD2 3.92Å; M473-F543 HydrophobicContact CE-CE1 4.1Å; M473-F543 HydrophobicContact CE-CE2 3.86Å; M473-F543 HydrophobicContact CE-CG 4.08Å; M473-F543 HydrophobicContact CE-CZ 3.95Å; M473-F543 HydrophobicContact SD-CG 4.47Å; Y476-F543 HydrophobicContact CD1-CE2 4.1Å; Y476-F543 HydrophobicContact CD1-CZ 4.42Å; Y476-F543 HydrophobicContact CD2-CZ 4.45Å; Y476-F543 AromaticContact CE1-CE2 3.75Å; Y476-F543 HydrophobicContact CE1-CE2 3.75Å; Y476-F543 AromaticContact CE1-CZ 3.79Å; Y476-F543 HydrophobicContact CE1-CZ 3.79Å; Y476-F543 HydrophobicContact CE2-CE2 4.42Å; Y476-F543 AromaticContact CE2-CZ 3.83Å; Y476-F543 HydrophobicContact CE2-CZ 3.83Å; Y476-F543 AromaticContact CZ-CE2 3.94Å; Y476-F543 AromaticContact CZ-CZ 3.47Å; Y476-F543 VanDerWaalsContact CZ-CZ 3.47Å; T480-F543 HydrophobicContact CG2-CZ 4.13Å; C517-F543 HydrophobicContact CB-CE2 4.28Å; P527-F543 HydrophobicContact CB-CD2 4Å; P527-F543 HydrophobicContact CB-CE2 3.99Å; P527-F543 HydrophobicContact CG-CD2 4.05Å; P527-F543 HydrophobicContact CG-CE2 4.18Å
544	N	66.2	Low	65.1	Low	24 Å²	24	69.7 Å²	69.7	13%	0.128	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	141.4	170.4	-73.7	-18.4	0	0	0	109.7	C466 R467 I484 C546 W836	C466-N544 CarbonylContact C-O 3.51Å; C466-N544 VanDerWaalsContact CA-O 3.26Å; C466-N544 WeakPolarHBondContact CA-O 3.14Å; C466-N544 VanDerWaalsContact CB-O 3.31Å; C466-N544 WeakPolarHBondContact CB-O 3.23Å; R467-N544 PolarHBondContact N-O 3.44Å; I484-N544 VanDerWaalsContact CG2-OD1 3.28Å; I484-N544 WeakPolarHBondContact CG2-OD1 3.17Å; N544-C546 PolarHBondContact O-N 2.77Å; N544-W836 WeakPolarHBondContact ND2-CZ3 3.18Å
545	T	63.2	Low	64	Low	9 Å²	9	68.5 Å²	68.5	6%	0.055	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	119.5	173.5	-64.8	0	0	0	0	109	R467 K469 V547	R467-T545 PolarHBondContact NH2-OG1 2.69Å; R467-T545 CarbonylContact O-C 3.43Å; R467-T545 WeakPolarHBondContact O-CA 3.34Å; K469-T545 HydrophobicContact CB-CG2 3.6Å; K469-T545 HydrophobicContact CD-CG2 4.09Å; K469-T545 HydrophobicContact CG-CG2 3.88Å; T545-V547 PolarHBondContact O-N 3.31Å; T545-V547 VanDerWaalsContact O-N 3.14Å
546	C	56.9	Low	63.1	Low	28 Å²	28	62.5 Å²	62.5	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	122.8	177.4	-62.9	0	0	0	0	109.3	C466 R467 N544 K548	C466-C546 HydrophobicContact CB-CB 3.92Å; C466-C546 WeakPolarHBondContact CB-SG 3.28Å; C466-C546 PolarHBondContact O-SG 3.39Å; C466-C546 WeakPolarHBondContact SG-CA 3.41Å; C466-C546 WeakPolarHBondContact SG-CB 3.38Å; C466-C546 CovalentContact SG-SG 2.04Å; C466-C546 PolarHBondContact SG-SG 2.17Å; R467-C546 PolarHBondContact N-SG 2.87Å; R467-C546 PolarHBondContact O-N 2.95Å; N544-C546 PolarHBondContact O-N 2.77Å; C546-K548 PolarHBondContact O-N 2.85Å
547	V	52.9	Low	62.3	Low	77 Å²	77	59 Å²	59	47%	0.467	30%	0.301	S	S	.	.			trans	-59.8	108.1	174.3	-172.7	0	0	0	0	108	T545 V549 Y838	T545-V547 PolarHBondContact O-N 3.31Å; T545-V547 VanDerWaalsContact O-N 3.14Å; V547-V549 VanDerWaalsContact C-N 3.31Å; V547-V549 PolarHBondContact O-N 3.32Å; V547-Y838 HydrophobicContact CG1-CD2 4.32Å; V547-Y838 HydrophobicContact CG1-CE2 4.01Å; V547-Y838 HydrophobicContact CG2-CD1 4.25Å; V547-Y838 HydrophobicContact CG2-CD2 3.44Å; V547-Y838 VanDerWaalsContact CG2-CD2 3.44Å; V547-Y838 HydrophobicContact CG2-CE2 4Å; V547-Y838 HydrophobicContact CG2-CG 3.57Å
548	K	47.8	Very low	61.1	Low	138 Å²	138	59.5 Å²	59.5	60%	0.6	30%	0.298	S	S	*	.			trans	-61.9	104.8	156	-90.7	-167.4	164.7	-159.4	0	105.4	H470 C546 Q550	H470-K548 WeakPolarHBondContact NE2-CE 3.48Å; H470-K548 PolarHBondContact NE2-NZ 3.39Å; C546-K548 PolarHBondContact O-N 2.85Å; K548-Q550 PolarHBondContact O-N 3.11Å
549	V	44.4	Very low	59.4	Low	60 Å²	60	62.1 Å²	62.1	36%	0.364	32%	0.317	S	S	.	.			trans	-51.7	111.2	166.6	-179.9	0	0	0	0	105.6	V547	V547-V549 VanDerWaalsContact C-N 3.31Å; V547-V549 PolarHBondContact O-N 3.32Å
550	Q	45.1	Very low	57.7	Low	162 Å²	162	60.9 Å²	60.9	76%	0.757	32%	0.315	S	S	*	.			trans	-54.3	149.8	167.6	-65.5	-178.1	0.5	0	0	107.2	K548 D552	K548-Q550 PolarHBondContact O-N 3.11Å; Q550-D552 WeakPolarHBondContact O-CB 3.5Å; Q550-D552 PolarHBondContact O-N 2.87Å
551	E	40.2	Very low	56.4	Low	193 Å²	193	62.5 Å²	62.5	90%	0.902	33%	0.326	S	S	*	.			trans	-74.5	57	-169.6	-63.1	-175.7	160	0	0	113.4	P553	E551-P553 WeakPolarHBondContact O-CD 3.21Å; E551-P553 WeakPolarHBondContact O-CG 3.48Å
552	D	40.4	Very low	55.1	Low	78 Å²	78	62.5 Å²	62.5	42%	0.417	33%	0.326	S	S	.	.			trans	-53.3	100.7	157.2	-169.5	10	0	0	0	107	Q550 Y554 V555 R616	Q550-D552 WeakPolarHBondContact O-CB 3.5Å; Q550-D552 PolarHBondContact O-N 2.87Å; D552-Y554 PolarHBondContact O-N 3.36Å; D552-V555 PolarHBondContact O-N 3.12Å; D552-R616 IonicContact OD2-CZ 3.59Å; D552-R616 IonicContact OD2-NH1 3.31Å; D552-R616 PolarHBondContact OD2-NH1 3.09Å; D552-R616 VanDerWaalsContact OD2-NH1 3.14Å; D552-R616 IonicContact OD2-NH2 3.98Å
553	P	46.2	Very low	54	Low	94 Å²	94	62.7 Å²	62.7	61%	0.61	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	2.9	-154.1	-24.2	33.9	0	0	0	116.6	E551	E551-P553 WeakPolarHBondContact O-CD 3.21Å; E551-P553 WeakPolarHBondContact O-CG 3.48Å
554	Y	49.5	Very low	53.3	Low	163 Å²	163	63.8 Å²	63.8	64%	0.639	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.6	8.9	-161.2	-51.4	-71.5	0	0	0	113.9	D552 T581	D552-Y554 PolarHBondContact O-N 3.36Å; Y554-T581 CarbonylContact O-C 3.18Å; Y554-T581 WeakPolarHBondContact O-CA 3.21Å
555	V	52.2	Low	52.5	Low	46 Å²	46	68.7 Å²	68.7	28%	0.279	35%	0.348	S	S	.	.			trans	-130.1	98.4	-177.4	-167.4	0	0	0	0	113.6	D552 R580 Y611	D552-V555 PolarHBondContact O-N 3.12Å; V555-R580 WeakPolarHBondContact CA-O 3.37Å; V555-Y611 HydrophobicContact CG1-CD2 4.43Å
556	A	57.3	Low	51.6	Low	9 Å²	9	71 Å²	71	7%	0.074	36%	0.364	C	S	.	.			trans	-88.7	111.5	165.7	0	0	0	0	0	110.4	T579 R580 Y610 Y611	A556-T579 WeakPolarHBondContact CB-O 3.37Å; A556-R580 PolarHBondContact N-O 2.99Å; A556-R580 WeakPolarHBondContact O-CA 3.41Å; A556-Y610 WeakPolarHBondContact O-CA 3.08Å; A556-Y611 PolarHBondContact O-N 2.87Å
557	C	61.1	Low	50.8	Low	19 Å²	19	74.5 Å²	74.5	13%	0.128	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	170.3	169.6	70.4	0	0	0	0	111.3	R576 Y611 C613	C557-R576 PolarHBondContact O-NH1 3.4Å; C557-Y611 CarbonylContact C-O 3.56Å; C557-Y611 WeakPolarHBondContact CA-O 3.01Å; C557-Y611 VanDerWaalsContact CB-O 3.24Å; C557-Y611 WeakPolarHBondContact CB-O 3.18Å; C557-C613 HydrophobicContact CB-CB 3.9Å; C557-C613 WeakPolarHBondContact CB-SG 3.4Å; C557-C613 WeakPolarHBondContact SG-CA 3.39Å; C557-C613 WeakPolarHBondContact SG-CB 3.22Å; C557-C613 CovalentContact SG-SG 2.04Å; C557-C613 PolarHBondContact SG-SG 2.61Å
558	R	58	Low	50.2	Low	64 Å²	64	75.5 Å²	75.5	24%	0.242	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.1	173.2	-168	-165.4	159.8	99.6	-8.8	109.8	L573 Y610 Y611 A612 C613	R558-L573 VanDerWaalsContact NE-CD2 3.32Å; R558-Y610 HydrophobicContact CB-CD1 3.56Å; R558-Y610 HydrophobicContact CB-CE1 4.03Å; R558-Y610 HydrophobicContact CB-CG 3.94Å; R558-Y610 HydrophobicContact CG-CD1 4.39Å; R558-Y610 HydrophobicContact CG-CE1 4.39Å; R558-Y611 PolarHBondContact N-O 2.92Å; R558-A612 CarbonylContact O-C 3.14Å; R558-A612 WeakPolarHBondContact O-CA 3.05Å; R558-C613 PolarHBondContact N-SG 2.93Å; R558-C613 WeakPolarHBondContact O-CB 3.31Å; R558-C613 PolarHBondContact O-N 2.85Å
559	P	48.8	Very low	49.5	Very low	70 Å²	70	76 Å²	76	46%	0.455	39%	0.393	S	S	.	.	S	Bend	trans	-55.3	148	163.4	-24	35.1	0	0	0	111.7
560	G	51.9	Low	49.2	Very low	13 Å²	13	77.6 Å²	77.6	13%	0.134	40%	0.399	C	S	.	.	S	Bend	trans	125.4	150.7	-160.7	0	0	0	0	0	110.9	A612 E614	G560-A612 WeakPolarHBondContact O-CB 3.37Å; G560-E614 VanDerWaalsContact C-CD 3.41Å; G560-E614 WeakPolarHBondContact CA-OE1 3.38Å; G560-E614 PolarHBondContact N-OE1 3.32Å
561	P	55	Low	48.8	Very low	40 Å²	40	74.2 Å²	74.2	26%	0.26	38%	0.382	S	S	.	.			trans	-76.4	139.4	-167.1	30.8	-36.5	0	0	0	112	L563 Q564 E614	P561-L563 PolarHBondContact O-N 2.87Å; P561-Q564 HydrophobicContact CG-CB 4.44Å; P561-Q564 HydrophobicContact CG-CG 4.49Å; P561-E614 WeakPolarHBondContact CA-OE2 3.09Å
562	I	59.6	Low	48.8	Very low	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-63.7	-22.9	169.3	-96.6	-177.3	0	0	0	112.6	A612 E614 H615 L618 Y631 N632 G633	I562-A612 HydrophobicContact CB-CB 4.25Å; I562-A612 HydrophobicContact CG1-CB 3.53Å; I562-E614 VanDerWaalsContact CB-O 3.3Å; I562-E614 WeakPolarHBondContact CB-O 3.28Å; I562-E614 WeakPolarHBondContact CD1-O 3.45Å; I562-E614 WeakPolarHBondContact CG1-O 3.5Å; I562-H615 HydrophobicContact CB-CB 4.21Å; I562-H615 HydrophobicContact CD1-CB 4.21Å; I562-H615 WeakPolarHBondContact CD1-O 3.07Å; I562-H615 HydrophobicContact CG2-CB 4.46Å; I562-L618 HydrophobicContact CG2-CD2 3.74Å; I562-Y631 HydrophobicContact CG2-CD2 3.64Å; I562-Y631 HydrophobicContact CG2-CE2 3.31Å; I562-Y631 WeakPolarHBondContact O-CA 3.45Å; I562-N632 PolarHBondContact O-N 3.44Å; I562-G633 VanDerWaalsContact CD1-CA 3.42Å; I562-G633 VanDerWaalsContact CG1-CA 3.48Å
563	L	61.3	Low	49.3	Very low	17 Å²	17	73.3 Å²	73.3	9%	0.089	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	99.4	180	-73.9	-176.3	0	0	0	108.8	P561 L618 I621 I629 Y631 E831	P561-L563 PolarHBondContact O-N 2.87Å; L563-L618 HydrophobicContact CD1-CD1 4.18Å; L563-L618 HydrophobicContact CD1-CD2 4.2Å; L563-L618 HydrophobicContact CD2-CD2 4.18Å; L563-L618 HydrophobicContact CG-CD2 4.14Å; L563-I621 HydrophobicContact CD1-CG1 4.3Å; L563-I621 HydrophobicContact CD1-CG2 4.33Å; L563-I621 HydrophobicContact CD2-CD1 3.95Å; L563-I621 HydrophobicContact CD2-CG1 4.29Å; L563-I629 VanDerWaalsContact C-CG2 3.42Å; L563-I629 HydrophobicContact CB-CG2 3.66Å; L563-I629 HydrophobicContact CD2-CG2 3.86Å; L563-I629 HydrophobicContact CG-CG2 4.31Å; L563-Y631 HydrophobicContact CD2-CD2 4.28Å; L563-E831 HydrophobicContact CD1-CG 4.12Å; L563-E831 WeakPolarHBondContact CD1-OE1 3.23Å; L563-E831 VanDerWaalsContact CD1-OE2 3.31Å; L563-E831 WeakPolarHBondContact CD1-OE2 2.87Å
564	Q	60.8	Low	49.6	Very low	35 Å²	35	75.7 Å²	75.7	16%	0.164	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.9	-179.2	-159.9	-169.3	-68.9	0	0	111.6	P561 I629 E630	P561-Q564 HydrophobicContact CG-CB 4.44Å; P561-Q564 HydrophobicContact CG-CG 4.49Å; Q564-I629 VanDerWaalsContact N-CG2 3.33Å; Q564-I629 WeakPolarHBondContact O-CG2 3.41Å; Q564-E630 PolarHBondContact N-O 2.03Å; Q564-E630 VanDerWaalsContact N-O 3.11Å; Q564-E630 WeakPolarHBondContact O-CB 3.35Å; Q564-E630 PolarHBondContact O-N 2.79Å
565	W	49.2	Very low	50	Low	128 Å²	128	72.6 Å²	72.6	49%	0.485	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	146.9	167.7	-62.4	81.6	0	0	0	109.7	D567 N628 I629	W565-D567 PolarHBondContact O-N 3.42Å; W565-N628 HydrophobicContact CE3-CB 3.97Å; W565-N628 HydrophobicContact CH2-CB 4.26Å; W565-N628 HydrophobicContact CZ3-CB 3.51Å; W565-I629 HydrophobicContact CD2-CD1 4.1Å; W565-I629 HydrophobicContact CD2-CG1 3.95Å; W565-I629 HydrophobicContact CE3-CG1 4.32Å; W565-I629 HydrophobicContact CG-CD1 4.35Å; W565-I629 HydrophobicContact CG-CG1 4.27Å; W565-I629 HydrophobicContact CZ2-CD1 3.92Å; W565-I629 HydrophobicContact CZ2-CG1 4.28Å
566	S	44.9	Very low	50.6	Low	56 Å²	56	74.3 Å²	74.3	39%	0.392	38%	0.381	S	S	.	.	S	Bend	trans	-71.4	29.2	-172.2	55.1	0	0	0	0	115.7	N568 E630	S566-N568 PolarHBondContact O-N 3.22Å; S566-N568 VanDerWaalsContact O-N 3.1Å; S566-E630 VanDerWaalsContact CB-OE1 3.26Å; S566-E630 WeakPolarHBondContact CB-OE1 3.31Å
567	D	40	Very low	51.4	Low	102 Å²	102	78.5 Å²	78.5	55%	0.545	40%	0.402	S	S	.	.			trans	-75.2	90.8	167.5	-79.7	-37.4	0	0	0	109.7	W565 N569 I570	W565-D567 PolarHBondContact O-N 3.42Å; D567-N569 PolarHBondContact O-N 2.72Å; D567-I570 HydrophobicContact CB-CD1 3.68Å; D567-I570 HydrophobicContact CB-CG1 3.92Å
568	N	40.5	Very low	52.1	Low	98 Å²	98	81.9 Å²	81.9	52%	0.524	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-1	178.6	-71.8	-10.8	0	0	0	117.1	S566	S566-N568 PolarHBondContact O-N 3.22Å; S566-N568 VanDerWaalsContact O-N 3.1Å
569	N	33.2	Very low	53.3	Low	150 Å²	150	78.9 Å²	78.9	80%	0.802	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-0.7	-163.8	-67.4	-37.3	0	0	0	115.1	D567 F571	D567-N569 PolarHBondContact O-N 2.72Å; N569-F571 PolarHBondContact O-N 2.94Å
570	I	37.5	Very low	54.7	Low	93 Å²	93	75.7 Å²	75.7	48%	0.477	38%	0.382	S	S	.	.	S	Bend	trans	-75.9	-22.9	-164.6	-67.1	-178.9	0	0	0	114.1	D567	D567-I570 HydrophobicContact CB-CD1 3.68Å; D567-I570 HydrophobicContact CB-CG1 3.92Å
571	F	37.7	Very low	55.8	Low	91 Å²	91	77.2 Å²	77.2	40%	0.399	39%	0.389	S	S	.	.			trans	-131.6	123.6	-179.9	-57	-68.1	0	0	0	113	N569 L573	N569-F571 PolarHBondContact O-N 2.94Å; F571-L573 HydrophobicContact CB-CD2 3.49Å; F571-L573 VanDerWaalsContact CB-CD2 3.49Å; F571-L573 HydrophobicContact CB-CG 3.92Å; F571-L573 HydrophobicContact CG-CD2 4.31Å
572	Q	39.2	Very low	56.8	Low	193 Å²	193	76.4 Å²	76.4	90%	0.902	39%	0.388	S	S	*	.			trans	-71.8	129.9	147.9	-76	-178	-24.1	0	0	107.8
573	L	50.5	Low	57.9	Low	59 Å²	59	80.4 Å²	80.4	31%	0.309	40%	0.403	S	S	.	.			trans	-116.1	124.7	-170.6	-61.5	170.9	0	0	0	107.8	R558 F571 P597	R558-L573 VanDerWaalsContact NE-CD2 3.32Å; F571-L573 HydrophobicContact CB-CD2 3.49Å; F571-L573 VanDerWaalsContact CB-CD2 3.49Å; F571-L573 HydrophobicContact CB-CG 3.92Å; F571-L573 HydrophobicContact CG-CD2 4.31Å; L573-P597 HydrophobicContact CB-CG 3.64Å; L573-P597 HydrophobicContact CD1-CG 3.58Å; L573-P597 HydrophobicContact CG-CG 4.22Å
574	E	53.1	Low	59.1	Low	143 Å²	143	84.5 Å²	84.5	67%	0.668	42%	0.422	S	S	*	.			trans	-60.2	136.7	175.5	-64.6	179.7	149.2	0	0	109.4	Y610	E574-Y610 PolarHBondContact O-OH 3.42Å; E574-Y610 VanDerWaalsContact O-OH 3.1Å
575	P	57.4	Low	60.2	Low	98 Å²	98	83.9 Å²	83.9	64%	0.636	42%	0.421	S	S	*	.			trans	-61.3	151.5	174.3	-21.5	32.7	0	0	0	112	E588	P575-E588 WeakPolarHBondContact CB-OE1 3.26Å; P575-E588 WeakPolarHBondContact CB-OE2 3.33Å
576	R	65.5	Low	61.9	Low	82 Å²	82	82.8 Å²	82.8	31%	0.309	43%	0.428	S	S	.	.			trans	-138.1	121.2	178.6	-153.4	-174.5	-165.2	151.5	3.7	110.3	C557 K578 C585 E588 C609 Y610	C557-R576 PolarHBondContact O-NH1 3.4Å; R576-K578 WeakPolarHBondContact CD-O 3.36Å; R576-K578 PolarHBondContact O-N 3.16Å; R576-C585 PolarHBondContact O-SG 2.69Å; R576-C585 VanDerWaalsContact O-SG 3.36Å; R576-E588 PolarHBondContact N-OE1 3.24Å; R576-C609 HydrophobicContact CB-CB 4.21Å; R576-Y610 HydrophobicContact CB-CE2 4.08Å
577	N	73.2	Confident	63.7	Low	97 Å²	97	86.4 Å²	86.4	52%	0.519	44%	0.439	S	S	.	.	S	Bend	trans	-70.1	12.9	172.4	72.3	-10.5	0	0	0	114.8	Q584 C585	N577-Q584 PolarHBondContact ND2-NE2 3.05Å; N577-Q584 VanDerWaalsContact O-CD 3.24Å; N577-Q584 PolarHBondContact O-NE2 2.62Å; N577-Q584 VanDerWaalsContact O-NE2 3.08Å; N577-C585 PolarHBondContact O-N 3.41Å
578	K	77.7	Confident	65.1	Low	91 Å²	91	85.8 Å²	85.8	40%	0.396	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-138.3	140.2	174.2	-67.4	-167.5	177.3	-165	0	111.3	R576 R583 Q584 C585	R576-K578 WeakPolarHBondContact CD-O 3.36Å; R576-K578 PolarHBondContact O-N 3.16Å; K578-R583 CarbonylContact C-O 3.56Å; K578-R583 VanDerWaalsContact CA-O 3.29Å; K578-R583 WeakPolarHBondContact CA-O 3.33Å; K578-Q584 VanDerWaalsContact CE-OE1 3.24Å; K578-C585 PolarHBondContact N-SG 3.05Å; K578-C585 VanDerWaalsContact N-SG 3.38Å
579	T	83.1	Confident	66.6	Low	0 Å²	0	81.8 Å²	81.8	0%	0	41%	0.411	C	S	.	.			trans	-67.4	165.4	169.1	62.3	0	0	0	0	112.3	A556 T581 G582 R583 C599 I601 E607 C609	A556-T579 WeakPolarHBondContact CB-O 3.37Å; T579-T581 PolarHBondContact O-N 2.87Å; T579-T581 PolarHBondContact OG1-N 2.95Å; T579-T581 PolarHBondContact OG1-OG1 2.8Å; T579-G582 WeakPolarHBondContact O-CA 3.09Å; T579-G582 PolarHBondContact O-N 3.24Å; T579-G582 PolarHBondContact OG1-N 3.13Å; T579-R583 HydrophobicContact CG2-CB 4.36Å; T579-R583 PolarHBondContact N-O 3.32Å; T579-R583 WeakPolarHBondContact OG1-CA 3.44Å; T579-R583 WeakPolarHBondContact OG1-CB 3.09Å; T579-R583 PolarHBondContact OG1-N 3.43Å; T579-R583 PolarHBondContact OG1-O 3.35Å; T579-R583 VanDerWaalsContact OG1-O 3.14Å; T579-C599 HydrophobicContact CG2-CB 4.26Å; T579-C599 WeakPolarHBondContact CG2-SG 3.37Å; T579-I601 HydrophobicContact CG2-CG2 3.46Å; T579-I601 VanDerWaalsContact CG2-CG2 3.46Å; T579-E607 WeakPolarHBondContact CB-OE2 2.96Å; T579-E607 HydrophobicContact CG2-CB 3.83Å; T579-E607 HydrophobicContact CG2-CG 4.27Å; T579-E607 WeakPolarHBondContact CG2-OE2 3.3Å; T579-E607 PolarHBondContact OG1-OE2 2.93Å; T579-C609 CarbonylContact C-O 3.06Å
580	R	77.6	Confident	68.1	Low	4 Å²	4	83.5 Å²	83.5	2%	0.015	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26	171	68.2	-161.5	-179.7	146.6	10.3	115.2	V555 A556 G582 E607 P608 C609 Y611 E684 H685	V555-R580 WeakPolarHBondContact CA-O 3.37Å; A556-R580 PolarHBondContact N-O 2.99Å; A556-R580 WeakPolarHBondContact O-CA 3.41Å; R580-G582 VanDerWaalsContact C-N 3.3Å; R580-E607 HydrophobicContact CG-CG 4.08Å; R580-E607 WeakPolarHBondContact CG-OE1 3.45Å; R580-E607 IonicContact NE-OE1 2.7Å; R580-E607 PolarHBondContact NE-OE1 3.26Å; R580-E607 VanDerWaalsContact NE-OE1 3.13Å; R580-P608 WeakPolarHBondContact CB-O 3.41Å; R580-P608 VanDerWaalsContact CD-O 3.28Å; R580-P608 WeakPolarHBondContact CD-O 3.1Å; R580-P608 VanDerWaalsContact CG-O 3.26Å; R580-P608 WeakPolarHBondContact CG-O 3.36Å; R580-P608 PolarHBondContact N-O 3.43Å; R580-C609 PolarHBondContact N-O 2.99Å; R580-Y611 HydrophobicContact CB-CD2 3.76Å; R580-Y611 HydrophobicContact CB-CE2 3.64Å; R580-Y611 HydrophobicContact CB-CG 4.41Å; R580-Y611 VanDerWaalsContact CD-CZ 3.44Å; R580-Y611 HydrophobicContact CG-CD2 4.17Å; R580-Y611 HydrophobicContact CG-CE1 4.37Å; R580-Y611 HydrophobicContact CG-CE2 3.58Å; R580-Y611 VanDerWaalsContact CZ-OH 3.28Å; R580-Y611 PolarHBondContact NE-OH 3.01Å; R580-E684 PolarHBondContact NH2-O 2.73Å; R580-H685 PolarHBondContact NH1-ND1 2.71Å; R580-H685 PolarHBondContact NH2-ND1 3.16Å
581	T	75.6	Confident	69.2	Low	44 Å²	44	81.5 Å²	81.5	27%	0.27	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7	171.9	52.3	0	0	0	0	113.9	Y554 T579 R583 E607	Y554-T581 CarbonylContact O-C 3.18Å; Y554-T581 WeakPolarHBondContact O-CA 3.21Å; T579-T581 PolarHBondContact O-N 2.87Å; T579-T581 PolarHBondContact OG1-N 2.95Å; T579-T581 PolarHBondContact OG1-OG1 2.8Å; T581-R583 VanDerWaalsContact C-N 3.29Å; T581-R583 PolarHBondContact O-N 3.37Å; T581-R583 PolarHBondContact OG1-NE 3.16Å; T581-E607 WeakPolarHBondContact CG2-OE1 3.37Å; T581-E607 PolarHBondContact N-OE1 3.35Å; T581-E607 VanDerWaalsContact OG1-CD 3.27Å; T581-E607 PolarHBondContact OG1-OE1 2.97Å; T581-E607 PolarHBondContact OG1-OE2 3.43Å
582	G	75.4	Confident	70.1	Confident	24 Å²	24	86.7 Å²	86.7	25%	0.247	43%	0.434	C	S	.	.	S	Bend	trans	82.2	-2.8	178.9	0	0	0	0	0	115.1	T579 R580	T579-G582 WeakPolarHBondContact O-CA 3.09Å; T579-G582 PolarHBondContact O-N 3.24Å; T579-G582 PolarHBondContact OG1-N 3.13Å; R580-G582 VanDerWaalsContact C-N 3.3Å
583	R	83.4	Confident	71.3	Confident	83 Å²	83	78.5 Å²	78.5	31%	0.313	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-65.3	140.5	175.2	-61.6	-176	-75.9	-159.4	-9.7	110.9	K578 T579 T581 I601 E607 E684	K578-R583 CarbonylContact C-O 3.56Å; K578-R583 VanDerWaalsContact CA-O 3.29Å; K578-R583 WeakPolarHBondContact CA-O 3.33Å; T579-R583 HydrophobicContact CG2-CB 4.36Å; T579-R583 PolarHBondContact N-O 3.32Å; T579-R583 WeakPolarHBondContact OG1-CA 3.44Å; T579-R583 WeakPolarHBondContact OG1-CB 3.09Å; T579-R583 PolarHBondContact OG1-N 3.43Å; T579-R583 PolarHBondContact OG1-O 3.35Å; T579-R583 VanDerWaalsContact OG1-O 3.14Å; T581-R583 VanDerWaalsContact C-N 3.29Å; T581-R583 PolarHBondContact O-N 3.37Å; T581-R583 PolarHBondContact OG1-NE 3.16Å; R583-I601 HydrophobicContact CB-CG2 4.31Å; R583-E607 IonicContact CZ-OE2 3.03Å; R583-E607 IonicContact NE-OE2 3.51Å; R583-E607 PolarHBondContact NE-OE2 2.64Å; R583-E607 VanDerWaalsContact NH2-CD 3.33Å; R583-E607 IonicContact NH2-OE1 2.75Å; R583-E607 IonicContact NH2-OE2 2.77Å; R583-E607 PolarHBondContact NH2-OE2 2.62Å; R583-E684 IonicContact CZ-OE1 3.34Å; R583-E684 IonicContact CZ-OE2 2.89Å; R583-E684 IonicContact NH1-OE1 2.63Å; R583-E684 PolarHBondContact NH1-OE1 3.09Å; R583-E684 IonicContact NH1-OE2 3.29Å; R583-E684 PolarHBondContact NH1-OE2 2.72Å; R583-E684 IonicContact NH2-OE1 3.19Å; R583-E684 PolarHBondContact NH2-OE1 2.95Å; R583-E684 IonicContact NH2-OE2 3.8Å; R583-E684 PolarHBondContact NH2-OE2 3.37Å
584	Q	85	Confident	71.9	Confident	104 Å²	104	79.7 Å²	79.7	49%	0.486	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-70.9	139.6	179	-167.6	67.6	25.8	0	0	111	N577 K578	N577-Q584 PolarHBondContact ND2-NE2 3.05Å; N577-Q584 VanDerWaalsContact O-CD 3.24Å; N577-Q584 PolarHBondContact O-NE2 2.62Å; N577-Q584 VanDerWaalsContact O-NE2 3.08Å; K578-Q584 VanDerWaalsContact CE-OE1 3.24Å
585	C	84.3	Confident	72.6	Confident	21 Å²	21	74 Å²	74	14%	0.142	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-76.6	135.2	175.4	-59.7	0	0	0	0	111.7	R576 N577 K578 C599	R576-C585 PolarHBondContact O-SG 2.69Å; R576-C585 VanDerWaalsContact O-SG 3.36Å; N577-C585 PolarHBondContact O-N 3.41Å; K578-C585 PolarHBondContact N-SG 3.05Å; K578-C585 VanDerWaalsContact N-SG 3.38Å; C585-C599 WeakPolarHBondContact CA-SG 3.34Å; C585-C599 HydrophobicContact CB-CB 4.05Å; C585-C599 WeakPolarHBondContact CB-SG 3.15Å; C585-C599 WeakPolarHBondContact SG-CB 3.2Å; C585-C599 CovalentContact SG-SG 2.02Å; C585-C599 PolarHBondContact SG-SG 2.95Å
586	V	85.1	Confident	73.2	Confident	106 Å²	106	70.3 Å²	70.3	64%	0.642	35%	0.353	S	S	*	.	S	Bend	trans	-80.1	-43	167.9	-178.2	0	0	0	0	110	Y600	V586-Y600 PolarHBondContact N-O 3.36Å
587	E	81.7	Confident	73.6	Confident	131 Å²	131	68.2 Å²	68.2	61%	0.612	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153.9	152.3	-178.3	-169.8	167.7	-154.9	0	0	108.9	Y600	E587-Y600 HydrophobicContact CB-CD2 4.18Å; E587-Y600 PolarHBondContact O-N 2.94Å
588	E	70.7	Confident	74	Confident	89 Å²	89	63.8 Å²	63.8	42%	0.416	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.5	175.6	-62.1	-171.2	150	0	0	109.4	P575 R576 E590	P575-E588 WeakPolarHBondContact CB-OE1 3.26Å; P575-E588 WeakPolarHBondContact CB-OE2 3.33Å; R576-E588 PolarHBondContact N-OE1 3.24Å; E588-E590 PolarHBondContact O-N 2.83Å
589	D	71.6	Confident	74.3	Confident	14 Å²	14	59.5 Å²	59.5	8%	0.075	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	96.7	179.9	-171.7	-9.1	0	0	0	108.8	S591 M598 Y600 R606 K681	D589-S591 VanDerWaalsContact CG-OG 3.22Å; D589-S591 PolarHBondContact O-N 3.09Å; D589-S591 WeakPolarHBondContact OD1-CB 3.14Å; D589-S591 PolarHBondContact OD1-N 2.7Å; D589-S591 PolarHBondContact OD1-OG 3.14Å; D589-S591 PolarHBondContact OD2-OG 3.31Å; D589-M598 HydrophobicContact CB-CB 3.92Å; D589-M598 PolarHBondContact N-O 2.94Å; D589-Y600 HydrophobicContact CB-CD2 4.05Å; D589-Y600 HydrophobicContact CB-CE2 3.68Å; D589-R606 WeakPolarHBondContact OD2-CD 3.45Å; D589-R606 IonicContact OD2-CZ 3.42Å; D589-R606 IonicContact OD2-NE 3.56Å; D589-R606 IonicContact OD2-NH1 3.99Å; D589-R606 PolarHBondContact OD2-NH1 3.36Å; D589-K681 IonicContact OD1-NZ 3.7Å; D589-K681 PolarHBondContact OD1-NZ 3.37Å; D589-K681 IonicContact OD2-NZ 2.61Å; D589-K681 PolarHBondContact OD2-NZ 3.33Å
590	E	64.2	Low	74.5	Confident	186 Å²	186	61.2 Å²	61.2	87%	0.869	31%	0.314	S	S	*	.			trans	-59.1	-7.4	180	-63.4	-170.7	155	0	0	114.2	E588 H592	E588-E590 PolarHBondContact O-N 2.83Å; E590-H592 PolarHBondContact O-N 3.06Å
591	S	61.5	Low	74.9	Confident	51 Å²	51	62.6 Å²	62.6	36%	0.357	32%	0.321	S	S	.	.	S	Bend	trans	-68.4	113.3	176.1	63.3	0	0	0	0	112.2	D589 S593 R606	D589-S591 VanDerWaalsContact CG-OG 3.22Å; D589-S591 PolarHBondContact O-N 3.09Å; D589-S591 WeakPolarHBondContact OD1-CB 3.14Å; D589-S591 PolarHBondContact OD1-N 2.7Å; D589-S591 PolarHBondContact OD1-OG 3.14Å; D589-S591 PolarHBondContact OD2-OG 3.31Å; S591-S593 PolarHBondContact O-N 3.18Å; S591-R606 PolarHBondContact OG-NH1 2.61Å; S591-R606 VanDerWaalsContact OG-NH1 3.13Å
592	H	56.9	Low	75.4	Confident	200 Å²	200	63.8 Å²	63.8	93%	0.926	33%	0.326	S	S	*	.			trans	-52.9	115.6	168.9	-67.8	-67.9	0	0	0	110.2	E590	E590-H592 PolarHBondContact O-N 3.06Å
593	S	63.1	Low	75.6	Confident	21 Å²	21	66.7 Å²	66.7	15%	0.147	35%	0.348	C	S	.	.			trans	-120.2	143.4	-174.3	176.3	0	0	0	0	110.1	S591 I595 G596 M598 L678	S591-S593 PolarHBondContact O-N 3.18Å; S593-I595 PolarHBondContact O-N 3.29Å; S593-G596 WeakPolarHBondContact CB-O 3Å; S593-G596 PolarHBondContact O-N 3.09Å; S593-M598 PolarHBondContact OG-SD 3.38Å; S593-L678 VanDerWaalsContact OG-CD1 3.25Å; S593-L678 WeakPolarHBondContact OG-CD1 3.3Å
594	Y	63.8	Low	75.6	Confident	84 Å²	84	68.4 Å²	68.4	33%	0.329	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.2	-179.7	-69.3	-93.4	0	0	0	113.1	G596 A674 L694	Y594-G596 VanDerWaalsContact C-N 3.28Å; Y594-G596 PolarHBondContact O-N 3.5Å; Y594-A674 HydrophobicContact CD2-CB 4.16Å; Y594-A674 HydrophobicContact CE2-CB 3.66Å; Y594-L694 HydrophobicContact CD1-CD2 4.32Å; Y594-L694 HydrophobicContact CG-CD2 4.28Å
595	I	69	Low	75.7	Confident	23 Å²	23	65 Å²	65	12%	0.118	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	15.7	177.7	-50.9	168.4	0	0	0	110.9	S593 P608 L678 M683 L689	S593-I595 PolarHBondContact O-N 3.29Å; I595-P608 HydrophobicContact CG2-CB 4.35Å; I595-P608 HydrophobicContact CG2-CG 3.92Å; I595-L678 HydrophobicContact CD1-CD1 4.26Å; I595-L678 HydrophobicContact CD1-CD2 3.9Å; I595-L678 HydrophobicContact CD1-CG 4.32Å; I595-L678 HydrophobicContact CG1-CD1 4.33Å; I595-L678 HydrophobicContact CG1-CD2 4.24Å; I595-M683 HydrophobicContact CD1-CE 3.88Å; I595-L689 HydrophobicContact CD1-CD1 4.41Å; I595-L689 HydrophobicContact CD1-CD2 3.92Å; I595-L689 HydrophobicContact CG1-CD2 4.37Å
596	G	68.6	Low	75.9	Confident	21 Å²	21	64.4 Å²	64.4	22%	0.216	34%	0.344	C	S	.	.			trans	81.2	-166.2	-179.3	0	0	0	0	0	114.5	S593 Y594 M598	S593-G596 WeakPolarHBondContact CB-O 3Å; S593-G596 PolarHBondContact O-N 3.09Å; Y594-G596 VanDerWaalsContact C-N 3.28Å; Y594-G596 PolarHBondContact O-N 3.5Å; G596-M598 VanDerWaalsContact O-CG 3.29Å; G596-M598 WeakPolarHBondContact O-CG 3.06Å
597	P	74.4	Confident	76	Confident	39 Å²	39	59.4 Å²	59.4	25%	0.253	31%	0.314	S	S	.	.			trans	-63.6	143.9	-169.3	-21.9	33.8	0	0	0	111.8	L573 P608 C609	L573-P597 HydrophobicContact CB-CG 3.64Å; L573-P597 HydrophobicContact CD1-CG 3.58Å; L573-P597 HydrophobicContact CG-CG 4.22Å; P597-P608 CarbonylContact O-C 3.59Å; P597-P608 WeakPolarHBondContact O-CA 3.24Å; P597-C609 HydrophobicContact CB-CB 4.42Å; P597-C609 PolarHBondContact O-N 2.79Å
598	M	80.5	Confident	76	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.02	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.1	-170.1	-64.3	-155.8	70.7	0	0	111.6	D589 S593 G596 R606 P608 M683	D589-M598 HydrophobicContact CB-CB 3.92Å; D589-M598 PolarHBondContact N-O 2.94Å; S593-M598 PolarHBondContact OG-SD 3.38Å; G596-M598 VanDerWaalsContact O-CG 3.29Å; G596-M598 WeakPolarHBondContact O-CG 3.06Å; M598-R606 HydrophobicContact CE-CB 4.05Å; M598-R606 VanDerWaalsContact CE-CD 3.45Å; M598-R606 HydrophobicContact CE-CG 3.51Å; M598-P608 HydrophobicContact CE-CG 4.2Å; M598-M683 HydrophobicContact CE-CB 4.48Å; M598-M683 HydrophobicContact CE-CG 3.81Å; M598-M683 HydrophobicContact CE-SD 3.21Å; M598-M683 WeakPolarHBondContact CE-SD 3.11Å; M598-M683 HydrophobicContact SD-SD 4.23Å
599	C	84.3	Confident	76.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.5	-171.3	146	0	0	0	0	110	T579 C585 R606 E607 C609	T579-C599 HydrophobicContact CG2-CB 4.26Å; T579-C599 WeakPolarHBondContact CG2-SG 3.37Å; C585-C599 WeakPolarHBondContact CA-SG 3.34Å; C585-C599 HydrophobicContact CB-CB 4.05Å; C585-C599 WeakPolarHBondContact CB-SG 3.15Å; C585-C599 WeakPolarHBondContact SG-CB 3.2Å; C585-C599 CovalentContact SG-SG 2.02Å; C585-C599 PolarHBondContact SG-SG 2.95Å; C599-R606 CarbonylContact O-C 3.58Å; C599-R606 VanDerWaalsContact O-CA 3.28Å; C599-R606 WeakPolarHBondContact O-CA 3.41Å; C599-E607 PolarHBondContact N-O 2.83Å; C599-E607 PolarHBondContact O-N 2.96Å; C599-C609 WeakPolarHBondContact CB-SG 3.18Å
600	Y	87.8	Confident	76.4	Confident	36 Å²	36	50 Å²	50	14%	0.141	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	123.5	177.9	-77.9	-87.3	0	0	0	111	V586 E587 D589 N602 R606 K681	V586-Y600 PolarHBondContact N-O 3.36Å; E587-Y600 HydrophobicContact CB-CD2 4.18Å; E587-Y600 PolarHBondContact O-N 2.94Å; D589-Y600 HydrophobicContact CB-CD2 4.05Å; D589-Y600 HydrophobicContact CB-CE2 3.68Å; Y600-N602 WeakPolarHBondContact CD1-O 3.46Å; Y600-R606 HydrophobicContact CD1-CB 4.44Å; Y600-K681 WeakPolarHBondContact OH-CD 3.48Å; Y600-K681 WeakPolarHBondContact OH-CE 3.28Å; Y600-K681 PolarHBondContact OH-NZ 3.01Å
601	I	86.6	Confident	76.8	Confident	33 Å²	33	42.3 Å²	42.3	17%	0.169	23%	0.232	C	C	.	.	S	Bend	trans	-90.6	-19	173.8	56.8	166.3	0	0	0	112.4	T579 R583 T605 E607 E684	T579-I601 HydrophobicContact CG2-CG2 3.46Å; T579-I601 VanDerWaalsContact CG2-CG2 3.46Å; R583-I601 HydrophobicContact CB-CG2 4.31Å; I601-T605 HydrophobicContact CD1-CG2 3.85Å; I601-T605 HydrophobicContact CG1-CG2 4.13Å; I601-T605 VanDerWaalsContact CG1-O 3.25Å; I601-T605 WeakPolarHBondContact CG1-O 3.47Å; I601-T605 PolarHBondContact N-O 3.19Å; I601-E607 HydrophobicContact CG2-CB 4.18Å; I601-E684 WeakPolarHBondContact CD1-OE2 3.05Å
602	N	85.6	Confident	76.8	Confident	70 Å²	70	40.6 Å²	40.6	37%	0.374	22%	0.221	S	C	.	.	S	Bend	trans	-156.2	177	169.4	67.9	63	0	0	0	107.3	Y600 N604 T605	Y600-N602 WeakPolarHBondContact CD1-O 3.46Å; N602-N604 PolarHBondContact O-N 3.21Å; N602-N604 PolarHBondContact OD1-N 2.84Å; N602-T605 VanDerWaalsContact ND2-CB 3.28Å; N602-T605 WeakPolarHBondContact ND2-CB 3.35Å; N602-T605 PolarHBondContact ND2-OG1 2.75Å; N602-T605 PolarHBondContact OD1-N 3.23Å; N602-T605 PolarHBondContact OD1-OG1 3.26Å
603	A	80	Confident	76.7	Confident	85 Å²	85	32.7 Å²	32.7	70%	0.702	19%	0.188	S	C	*	.	S	Bend	trans	-54.2	-25.8	-175.3	0	0	0	0	0	115.8
604	N	83.2	Confident	76.1	Confident	118 Å²	118	34.5 Å²	34.5	63%	0.631	19%	0.194	S	C	*	.	S	Bend	trans	-120.3	-22.6	-173.2	-66.8	-21.9	0	0	0	114.3	N602 P682	N602-N604 PolarHBondContact O-N 3.21Å; N602-N604 PolarHBondContact OD1-N 2.84Å; N604-P682 WeakPolarHBondContact O-CD 3.45Å
605	T	86.2	Confident	75.7	Confident	34 Å²	34	32 Å²	32	21%	0.209	19%	0.185	C	C	.	.			trans	-104.3	131.6	-177.5	-41.9	0	0	0	0	111.6	I601 N602 P682 E684	I601-T605 HydrophobicContact CD1-CG2 3.85Å; I601-T605 HydrophobicContact CG1-CG2 4.13Å; I601-T605 VanDerWaalsContact CG1-O 3.25Å; I601-T605 WeakPolarHBondContact CG1-O 3.47Å; I601-T605 PolarHBondContact N-O 3.19Å; N602-T605 VanDerWaalsContact ND2-CB 3.28Å; N602-T605 WeakPolarHBondContact ND2-CB 3.35Å; N602-T605 PolarHBondContact ND2-OG1 2.75Å; N602-T605 PolarHBondContact OD1-N 3.23Å; N602-T605 PolarHBondContact OD1-OG1 3.26Å; T605-P682 WeakPolarHBondContact CA-O 3.48Å; T605-E684 HydrophobicContact CG2-CB 4.34Å
606	R	88.8	Confident	75	Confident	7 Å²	7	36.5 Å²	36.5	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.5	175.5	60.9	177.5	-166.3	166.5	8.5	112.9	D589 S591 M598 C599 Y600 L678 K681 P682 M683 E684	D589-R606 WeakPolarHBondContact OD2-CD 3.45Å; D589-R606 IonicContact OD2-CZ 3.42Å; D589-R606 IonicContact OD2-NE 3.56Å; D589-R606 IonicContact OD2-NH1 3.99Å; D589-R606 PolarHBondContact OD2-NH1 3.36Å; S591-R606 PolarHBondContact OG-NH1 2.61Å; S591-R606 VanDerWaalsContact OG-NH1 3.13Å; M598-R606 HydrophobicContact CE-CB 4.05Å; M598-R606 VanDerWaalsContact CE-CD 3.45Å; M598-R606 HydrophobicContact CE-CG 3.51Å; C599-R606 CarbonylContact O-C 3.58Å; C599-R606 VanDerWaalsContact O-CA 3.28Å; C599-R606 WeakPolarHBondContact O-CA 3.41Å; Y600-R606 HydrophobicContact CD1-CB 4.44Å; R606-L678 PolarHBondContact NH2-O 2.82Å; R606-K681 HydrophobicContact CG-CB 4.48Å; R606-P682 WeakPolarHBondContact CG-O 3.38Å; R606-P682 PolarHBondContact N-O 3.27Å; R606-M683 HydrophobicContact CG-CB 4.23Å; R606-M683 CarbonylContact O-C 3.56Å; R606-M683 VanDerWaalsContact O-CA 3.26Å; R606-M683 WeakPolarHBondContact O-CA 3.21Å; R606-E684 PolarHBondContact O-N 2.63Å
607	E	86.6	Confident	74.6	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144	174.1	-174.6	-176.6	-175.7	0	0	109.4	T579 R580 T581 R583 C599 I601	T579-E607 WeakPolarHBondContact CB-OE2 2.96Å; T579-E607 HydrophobicContact CG2-CB 3.83Å; T579-E607 HydrophobicContact CG2-CG 4.27Å; T579-E607 WeakPolarHBondContact CG2-OE2 3.3Å; T579-E607 PolarHBondContact OG1-OE2 2.93Å; R580-E607 HydrophobicContact CG-CG 4.08Å; R580-E607 WeakPolarHBondContact CG-OE1 3.45Å; R580-E607 IonicContact NE-OE1 2.7Å; R580-E607 PolarHBondContact NE-OE1 3.26Å; R580-E607 VanDerWaalsContact NE-OE1 3.13Å; T581-E607 WeakPolarHBondContact CG2-OE1 3.37Å; T581-E607 PolarHBondContact N-OE1 3.35Å; T581-E607 VanDerWaalsContact OG1-CD 3.27Å; T581-E607 PolarHBondContact OG1-OE1 2.97Å; T581-E607 PolarHBondContact OG1-OE2 3.43Å; R583-E607 IonicContact CZ-OE2 3.03Å; R583-E607 IonicContact NE-OE2 3.51Å; R583-E607 PolarHBondContact NE-OE2 2.64Å; R583-E607 VanDerWaalsContact NH2-CD 3.33Å; R583-E607 IonicContact NH2-OE1 2.75Å; R583-E607 IonicContact NH2-OE2 2.77Å; R583-E607 PolarHBondContact NH2-OE2 2.62Å; C599-E607 PolarHBondContact N-O 2.83Å; C599-E607 PolarHBondContact O-N 2.96Å; I601-E607 HydrophobicContact CG2-CB 4.18Å
608	P	83.7	Confident	74.5	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	145.1	172	-19.7	30.1	0	0	0	113	R580 I595 P597 M598 Y610 M683	R580-P608 WeakPolarHBondContact CB-O 3.41Å; R580-P608 VanDerWaalsContact CD-O 3.28Å; R580-P608 WeakPolarHBondContact CD-O 3.1Å; R580-P608 VanDerWaalsContact CG-O 3.26Å; R580-P608 WeakPolarHBondContact CG-O 3.36Å; R580-P608 PolarHBondContact N-O 3.43Å; I595-P608 HydrophobicContact CG2-CB 4.35Å; I595-P608 HydrophobicContact CG2-CG 3.92Å; P597-P608 CarbonylContact O-C 3.59Å; P597-P608 WeakPolarHBondContact O-CA 3.24Å; M598-P608 HydrophobicContact CE-CG 4.2Å; P608-Y610 VanDerWaalsContact C-N 3.3Å; P608-Y610 PolarHBondContact O-N 3.36Å; P608-M683 HydrophobicContact CG-SD 4.05Å
609	C	78.3	Confident	74.3	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.02	23%	0.23	C	C	.	.	S	Bend	trans	-74.9	-17.1	-175.4	-61.6	0	0	0	0	114.3	R576 T579 R580 P597 C599	R576-C609 HydrophobicContact CB-CB 4.21Å; T579-C609 CarbonylContact C-O 3.06Å; R580-C609 PolarHBondContact N-O 2.99Å; P597-C609 HydrophobicContact CB-CB 4.42Å; P597-C609 PolarHBondContact O-N 2.79Å; C599-C609 WeakPolarHBondContact CB-SG 3.18Å
610	Y	72.3	Confident	74.3	Confident	34 Å²	34	44.2 Å²	44.2	13%	0.133	23%	0.23	C	C	.	.			trans	-146.5	156.5	-175	-55.1	-92.8	0	0	0	111.9	A556 R558 E574 R576 P608	A556-Y610 WeakPolarHBondContact O-CA 3.08Å; R558-Y610 HydrophobicContact CB-CD1 3.56Å; R558-Y610 HydrophobicContact CB-CE1 4.03Å; R558-Y610 HydrophobicContact CB-CG 3.94Å; R558-Y610 HydrophobicContact CG-CD1 4.39Å; R558-Y610 HydrophobicContact CG-CE1 4.39Å; E574-Y610 PolarHBondContact O-OH 3.42Å; E574-Y610 VanDerWaalsContact O-OH 3.1Å; R576-Y610 HydrophobicContact CB-CE2 4.08Å; P608-Y610 VanDerWaalsContact C-N 3.3Å; P608-Y610 PolarHBondContact O-N 3.36Å
611	Y	70.6	Confident	73.9	Confident	24 Å²	24	42.5 Å²	42.5	9%	0.094	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	161.1	144.7	-59.2	-74.2	0	0	0	109.3	V555 A556 C557 R558 R580 C613 P634 Q687	V555-Y611 HydrophobicContact CG1-CD2 4.43Å; A556-Y611 PolarHBondContact O-N 2.87Å; C557-Y611 CarbonylContact C-O 3.56Å; C557-Y611 WeakPolarHBondContact CA-O 3.01Å; C557-Y611 VanDerWaalsContact CB-O 3.24Å; C557-Y611 WeakPolarHBondContact CB-O 3.18Å; R558-Y611 PolarHBondContact N-O 2.92Å; R580-Y611 HydrophobicContact CB-CD2 3.76Å; R580-Y611 HydrophobicContact CB-CE2 3.64Å; R580-Y611 HydrophobicContact CB-CG 4.41Å; R580-Y611 VanDerWaalsContact CD-CZ 3.44Å; R580-Y611 HydrophobicContact CG-CD2 4.17Å; R580-Y611 HydrophobicContact CG-CE1 4.37Å; R580-Y611 HydrophobicContact CG-CE2 3.58Å; R580-Y611 VanDerWaalsContact CZ-OH 3.28Å; R580-Y611 PolarHBondContact NE-OH 3.01Å; Y611-C613 PolarHBondContact O-N 2.83Å; Y611-P634 HydrophobicContact CD1-CB 4.09Å; Y611-P634 HydrophobicContact CD2-CB 4.18Å; Y611-P634 HydrophobicContact CE1-CB 4.28Å; Y611-P634 HydrophobicContact CE2-CB 4.38Å; Y611-P634 HydrophobicContact CG-CB 4.04Å; Y611-Q687 HydrophobicContact CE1-CG 3.71Å; Y611-Q687 PolarHBondContact OH-NE2 2.66Å; Y611-Q687 VanDerWaalsContact OH-NE2 3.13Å
612	A	62.8	Low	73.5	Confident	14 Å²	14	42.9 Å²	42.9	12%	0.116	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	132.6	158.5	0	0	0	0	0	110	R558 G560 I562 N632	R558-A612 CarbonylContact O-C 3.14Å; R558-A612 WeakPolarHBondContact O-CA 3.05Å; G560-A612 WeakPolarHBondContact O-CB 3.37Å; I562-A612 HydrophobicContact CB-CB 4.25Å; I562-A612 HydrophobicContact CG1-CB 3.53Å; A612-N632 HydrophobicContact CB-CB 4.41Å; A612-N632 PolarHBondContact N-O 2.82Å
613	C	54.7	Low	72.9	Confident	34 Å²	34	42.5 Å²	42.5	23%	0.23	22%	0.219	C	C	.	.			trans	-78	-33.9	-178.5	-73.6	0	0	0	0	112.6	C557 R558 Y611	C557-C613 HydrophobicContact CB-CB 3.9Å; C557-C613 WeakPolarHBondContact CB-SG 3.4Å; C557-C613 WeakPolarHBondContact SG-CA 3.39Å; C557-C613 WeakPolarHBondContact SG-CB 3.22Å; C557-C613 CovalentContact SG-SG 2.04Å; C557-C613 PolarHBondContact SG-SG 2.61Å; R558-C613 PolarHBondContact N-SG 2.93Å; R558-C613 WeakPolarHBondContact O-CB 3.31Å; R558-C613 PolarHBondContact O-N 2.85Å; Y611-C613 PolarHBondContact O-N 2.83Å
614	E	51.3	Low	72.2	Confident	60 Å²	60	44.2 Å²	44.2	28%	0.28	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	133.5	-176.1	-68.9	161	-154.6	0	0	108.8	G560 P561 I562	G560-E614 VanDerWaalsContact C-CD 3.41Å; G560-E614 WeakPolarHBondContact CA-OE1 3.38Å; G560-E614 PolarHBondContact N-OE1 3.32Å; P561-E614 WeakPolarHBondContact CA-OE2 3.09Å; I562-E614 VanDerWaalsContact CB-O 3.3Å; I562-E614 WeakPolarHBondContact CB-O 3.28Å; I562-E614 WeakPolarHBondContact CD1-O 3.45Å; I562-E614 WeakPolarHBondContact CG1-O 3.5Å
615	H	53.5	Low	71.7	Confident	30 Å²	30	39.7 Å²	39.7	14%	0.139	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	42.1	177.2	-27.8	151.6	0	0	0	117.2	I562 N617 L618 N835	I562-H615 HydrophobicContact CB-CB 4.21Å; I562-H615 HydrophobicContact CD1-CB 4.21Å; I562-H615 WeakPolarHBondContact CD1-O 3.07Å; I562-H615 HydrophobicContact CG2-CB 4.46Å; H615-N617 PolarHBondContact O-N 3.18Å; H615-L618 HydrophobicContact CB-CB 4.04Å; H615-L618 PolarHBondContact O-N 3.41Å; H615-L618 VanDerWaalsContact O-N 3.07Å; H615-N835 VanDerWaalsContact CB-OD1 3.29Å; H615-N835 WeakPolarHBondContact CB-OD1 3.26Å; H615-N835 WeakPolarHBondContact CD2-CB 3Å; H615-N835 VanDerWaalsContact CD2-CG 3.41Å; H615-N835 PolarHBondContact CE1-ND2 3Å; H615-N835 VanDerWaalsContact CG-OD1 3.28Å; H615-N835 PolarHBondContact ND1-ND2 2.74Å
616	R	54.5	Low	71	Confident	119 Å²	119	38.2 Å²	38.2	45%	0.449	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-25.2	163.7	-83.3	-161.3	-175	-161.1	5.9	112.6	D552	D552-R616 IonicContact OD2-CZ 3.59Å; D552-R616 IonicContact OD2-NH1 3.31Å; D552-R616 PolarHBondContact OD2-NH1 3.09Å; D552-R616 VanDerWaalsContact OD2-NH1 3.14Å; D552-R616 IonicContact OD2-NH2 3.98Å
617	N	60.9	Low	69.8	Low	106 Å²	106	39.3 Å²	39.3	57%	0.567	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	28.7	-179	-61.1	-4.1	0	0	0	114.5	H615 F619	H615-N617 PolarHBondContact O-N 3.18Å; N617-F619 HydrophobicContact CB-CE2 4.08Å; N617-F619 HydrophobicContact CB-CZ 4.12Å; N617-F619 WeakPolarHBondContact O-CD2 3.21Å; N617-F619 WeakPolarHBondContact O-CE2 3.28Å; N617-F619 WeakPolarHBondContact O-CG 3.03Å; N617-F619 PolarHBondContact O-N 2.92Å
618	L	72.1	Confident	68.5	Low	8 Å²	8	42.4 Å²	42.4	4%	0.042	21%	0.205	C	C	.	.			trans	-60.7	107	174.2	-173	71.5	0	0	0	110.8	I562 L563 H615 C620 I621 Y631 F731 N835	I562-L618 HydrophobicContact CG2-CD2 3.74Å; L563-L618 HydrophobicContact CD1-CD1 4.18Å; L563-L618 HydrophobicContact CD1-CD2 4.2Å; L563-L618 HydrophobicContact CD2-CD2 4.18Å; L563-L618 HydrophobicContact CG-CD2 4.14Å; H615-L618 HydrophobicContact CB-CB 4.04Å; H615-L618 PolarHBondContact O-N 3.41Å; H615-L618 VanDerWaalsContact O-N 3.07Å; L618-C620 WeakPolarHBondContact CD1-O 3.1Å; L618-I621 HydrophobicContact CD2-CD1 4.1Å; L618-I621 HydrophobicContact CD2-CG1 3.87Å; L618-I621 HydrophobicContact CG-CG1 4.34Å; L618-Y631 HydrophobicContact CD2-CD2 4.12Å; L618-Y631 HydrophobicContact CD2-CE2 3.82Å; L618-F731 HydrophobicContact CB-CE1 3.97Å; L618-F731 HydrophobicContact CD2-CD1 4.11Å; L618-F731 HydrophobicContact CD2-CE1 3.55Å; L618-F731 HydrophobicContact CD2-CZ 3.95Å; L618-F731 HydrophobicContact CG-CD1 4.09Å; L618-F731 HydrophobicContact CG-CE1 3.7Å; L618-F731 VanDerWaalsContact O-CE1 3.26Å; L618-F731 WeakPolarHBondContact O-CE1 3.42Å; L618-N835 WeakPolarHBondContact CD1-ND2 3.08Å; L618-N835 WeakPolarHBondContact CD1-OD1 3.34Å
619	F	76.9	Confident	67.6	Low	111 Å²	111	42.6 Å²	42.6	49%	0.487	21%	0.206	S	C	.	.			trans	-89.5	-43	-179.7	-64.1	-63.8	0	0	0	112.7	N617 H834	N617-F619 HydrophobicContact CB-CE2 4.08Å; N617-F619 HydrophobicContact CB-CZ 4.12Å; N617-F619 WeakPolarHBondContact O-CD2 3.21Å; N617-F619 WeakPolarHBondContact O-CE2 3.28Å; N617-F619 WeakPolarHBondContact O-CG 3.03Å; N617-F619 PolarHBondContact O-N 2.92Å; F619-H834 HydrophobicContact CD2-CB 3.9Å; F619-H834 AromaticContact CD2-CG 3.77Å; F619-H834 AromaticContact CD2-ND1 3.46Å; F619-H834 WeakPolarHBondContact CD2-ND1 3.04Å
620	C	83.5	Confident	67.4	Low	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	168.7	178.4	66.2	0	0	0	0	111.7	L618 R732 C734 M737	L618-C620 WeakPolarHBondContact CD1-O 3.1Å; C620-R732 VanDerWaalsContact CA-O 3.3Å; C620-R732 WeakPolarHBondContact CA-O 3.33Å; C620-R732 WeakPolarHBondContact CB-O 3.44Å; C620-C734 HydrophobicContact CB-CB 3.9Å; C620-C734 WeakPolarHBondContact CB-SG 3.3Å; C620-C734 WeakPolarHBondContact SG-CA 3.44Å; C620-C734 WeakPolarHBondContact SG-CB 3.5Å; C620-C734 CovalentContact SG-SG 2.04Å; C620-C734 PolarHBondContact SG-SG 2.85Å; C620-M737 HydrophobicContact CB-SD 3.7Å
621	I	80.6	Confident	67.7	Low	1 Å²	1	42 Å²	42	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.4	174.2	-62	173.8	0	0	0	106.5	L563 L618 H625 M626 P715 F731 R732 T733 C734 E831	L563-I621 HydrophobicContact CD1-CG1 4.3Å; L563-I621 HydrophobicContact CD1-CG2 4.33Å; L563-I621 HydrophobicContact CD2-CD1 3.95Å; L563-I621 HydrophobicContact CD2-CG1 4.29Å; L618-I621 HydrophobicContact CD2-CD1 4.1Å; L618-I621 HydrophobicContact CD2-CG1 3.87Å; L618-I621 HydrophobicContact CG-CG1 4.34Å; I621-H625 HydrophobicContact CG2-CB 3.89Å; I621-M626 HydrophobicContact CB-CE 3.86Å; I621-M626 HydrophobicContact CB-CG 4.13Å; I621-M626 HydrophobicContact CB-SD 3.68Å; I621-M626 HydrophobicContact CD1-SD 4.06Å; I621-M626 HydrophobicContact CG1-SD 4.4Å; I621-M626 HydrophobicContact CG2-CG 3.8Å; I621-M626 HydrophobicContact CG2-SD 3.79Å; I621-P715 HydrophobicContact CD1-CG 3.73Å; I621-F731 HydrophobicContact CD1-CB 3.91Å; I621-F731 HydrophobicContact CD1-CD1 4.04Å; I621-F731 HydrophobicContact CD1-CD2 3.54Å; I621-F731 HydrophobicContact CD1-CE2 4.08Å; I621-F731 HydrophobicContact CD1-CG 3.53Å; I621-F731 HydrophobicContact CG1-CB 4.06Å; I621-F731 HydrophobicContact CG1-CD1 4.07Å; I621-F731 HydrophobicContact CG1-CD2 4.42Å; I621-F731 HydrophobicContact CG1-CG 3.91Å; I621-R732 PolarHBondContact N-O 2.03Å; I621-R732 VanDerWaalsContact N-O 3.15Å; I621-T733 VanDerWaalsContact O-CA 3.25Å; I621-T733 WeakPolarHBondContact O-CA 3.17Å; I621-C734 PolarHBondContact O-N 3.19Å; I621-C734 VanDerWaalsContact O-N 3.1Å; I621-E831 WeakPolarHBondContact CA-OE1 3.41Å; I621-E831 VanDerWaalsContact CG2-OE1 3.28Å; I621-E831 WeakPolarHBondContact CG2-OE1 3.29Å
622	D	77.4	Confident	67.9	Low	40 Å²	40	42.5 Å²	42.5	21%	0.214	21%	0.208	C	C	.	.			trans	-69.8	143.9	178.7	-61.4	-34.2	0	0	0	109.2	D624 H625 M626 C734 E831	D622-D624 VanDerWaalsContact C-N 3.3Å; D622-D624 PolarHBondContact O-N 3.27Å; D622-H625 WeakPolarHBondContact O-CB 3.3Å; D622-H625 PolarHBondContact O-N 3.46Å; D622-M626 PolarHBondContact O-N 3.46Å; D622-C734 WeakPolarHBondContact OD1-CB 3.22Å; D622-C734 PolarHBondContact OD1-SG 2.93Å; D622-E831 HydrophobicContact CB-CG 4.4Å; D622-E831 PolarHBondContact N-OE1 3.22Å; D622-E831 PolarHBondContact OD1-N 3.42Å
623	R	73.5	Confident	68.5	Low	62 Å²	62	42 Å²	42	23%	0.234	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-38.2	-167.1	-173.3	177.6	-62.5	111.8	6.8	113.9	H625 M626 T733 E735 V754	R623-H625 VanDerWaalsContact C-N 3.26Å; R623-H625 PolarHBondContact O-N 2.56Å; R623-M626 WeakPolarHBondContact O-CB 3.39Å; R623-M626 PolarHBondContact O-N 2.91Å; R623-T733 HydrophobicContact CB-CG2 4.4Å; R623-E735 WeakPolarHBondContact CB-OE1 3.02Å; R623-E735 PolarHBondContact N-OE1 3.15Å; R623-E735 PolarHBondContact N-OE2 3.04Å; R623-E735 IonicContact NH1-OE1 2.66Å; R623-V754 VanDerWaalsContact CZ-O 3.28Å; R623-V754 PolarHBondContact NH2-O 3.01Å
624	D	65.1	Low	69.8	Low	122 Å²	122	42.1 Å²	42.1	65%	0.652	20%	0.204	S	C	*	.	H	α-helix	trans	-67	-29.6	-179.5	-60.6	-19.3	0	0	0	112.4	D622 N628	D622-D624 VanDerWaalsContact C-N 3.3Å; D622-D624 PolarHBondContact O-N 3.27Å; D624-N628 PolarHBondContact O-ND2 2.85Å
625	H	71.6	Confident	71.4	Confident	22 Å²	22	42 Å²	42	10%	0.102	20%	0.203	C	C	.	.	H	α-helix	trans	-77	-36.6	176.2	-65	163.7	0	0	0	111.8	I621 D622 R623 L627 N628 I629 E831	I621-H625 HydrophobicContact CG2-CB 3.89Å; D622-H625 WeakPolarHBondContact O-CB 3.3Å; D622-H625 PolarHBondContact O-N 3.46Å; R623-H625 VanDerWaalsContact C-N 3.26Å; R623-H625 PolarHBondContact O-N 2.56Å; H625-L627 PolarHBondContact O-N 2.98Å; H625-N628 PolarHBondContact O-N 3.15Å; H625-N628 VanDerWaalsContact O-N 3.11Å; H625-I629 HydrophobicContact CB-CB 4.35Å; H625-I629 HydrophobicContact CB-CD1 3.7Å; H625-I629 HydrophobicContact CB-CG1 4.07Å; H625-I629 VanDerWaalsContact CD2-CD1 3.48Å; H625-I629 WeakPolarHBondContact CD2-CD1 3.33Å; H625-I629 VanDerWaalsContact O-CB 3.28Å; H625-I629 WeakPolarHBondContact O-CB 3.28Å; H625-I629 PolarHBondContact O-N 2.92Å; H625-E831 WeakPolarHBondContact CB-OE1 3.08Å; H625-E831 IonicContact CE1-OE1 3.81Å; H625-E831 IonicContact CE1-OE2 2.64Å; H625-E831 PolarHBondContact CE1-OE2 2.88Å; H625-E831 IonicContact CG-OE1 3.45Å; H625-E831 IonicContact ND1-OE1 3.81Å; H625-E831 PolarHBondContact ND1-OE1 2.98Å; H625-E831 IonicContact ND1-OE2 2.74Å; H625-E831 PolarHBondContact ND1-OE2 2.99Å
626	M	72.1	Confident	73.2	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-50.3	-31.8	176	-69.3	-77.9	-152.6	0	0	113.1	I621 D622 R623 N690 G714 F731 R732 T733	I621-M626 HydrophobicContact CB-CE 3.86Å; I621-M626 HydrophobicContact CB-CG 4.13Å; I621-M626 HydrophobicContact CB-SD 3.68Å; I621-M626 HydrophobicContact CD1-SD 4.06Å; I621-M626 HydrophobicContact CG1-SD 4.4Å; I621-M626 HydrophobicContact CG2-CG 3.8Å; I621-M626 HydrophobicContact CG2-SD 3.79Å; D622-M626 PolarHBondContact O-N 3.46Å; R623-M626 WeakPolarHBondContact O-CB 3.39Å; R623-M626 PolarHBondContact O-N 2.91Å; M626-N690 PolarHBondContact O-ND2 3.43Å; M626-G714 VanDerWaalsContact O-CA 3.3Å; M626-G714 WeakPolarHBondContact O-CA 3.46Å; M626-F731 HydrophobicContact CE-CB 3.99Å; M626-R732 WeakPolarHBondContact CE-O 3.13Å; M626-T733 HydrophobicContact CE-CG2 3.9Å; M626-T733 HydrophobicContact CG-CG2 4.43Å
627	L	64.5	Low	74.9	Confident	30 Å²	30	41.4 Å²	41.4	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-83.8	-30.3	-176.5	-61.9	177.2	0	0	0	114.2	H625 L692 W875	H625-L627 PolarHBondContact O-N 2.98Å; L627-L692 HydrophobicContact CB-CD2 4.41Å; L627-L692 HydrophobicContact CD2-CD2 3.81Å; L627-W875 HydrophobicContact CD1-CH2 4.22Å
628	N	59.1	Low	76.2	Confident	65 Å²	65	36.7 Å²	36.7	35%	0.348	18%	0.181	S	C	.	.	H	α-helix	trans	-124.7	-5.4	-163	-59.3	-71.1	0	0	0	114.7	W565 D624 H625	W565-N628 HydrophobicContact CE3-CB 3.97Å; W565-N628 HydrophobicContact CH2-CB 4.26Å; W565-N628 HydrophobicContact CZ3-CB 3.51Å; D624-N628 PolarHBondContact O-ND2 2.85Å; H625-N628 PolarHBondContact O-N 3.15Å; H625-N628 VanDerWaalsContact O-N 3.11Å
629	I	64.1	Low	76.9	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.1	-171	-64.7	-161.9	0	0	0	111.7	L563 Q564 W565 H625 N690	L563-I629 VanDerWaalsContact C-CG2 3.42Å; L563-I629 HydrophobicContact CB-CG2 3.66Å; L563-I629 HydrophobicContact CD2-CG2 3.86Å; L563-I629 HydrophobicContact CG-CG2 4.31Å; Q564-I629 VanDerWaalsContact N-CG2 3.33Å; Q564-I629 WeakPolarHBondContact O-CG2 3.41Å; W565-I629 HydrophobicContact CD2-CD1 4.1Å; W565-I629 HydrophobicContact CD2-CG1 3.95Å; W565-I629 HydrophobicContact CE3-CG1 4.32Å; W565-I629 HydrophobicContact CG-CD1 4.35Å; W565-I629 HydrophobicContact CG-CG1 4.27Å; W565-I629 HydrophobicContact CZ2-CD1 3.92Å; W565-I629 HydrophobicContact CZ2-CG1 4.28Å; H625-I629 HydrophobicContact CB-CB 4.35Å; H625-I629 HydrophobicContact CB-CD1 3.7Å; H625-I629 HydrophobicContact CB-CG1 4.07Å; H625-I629 VanDerWaalsContact CD2-CD1 3.48Å; H625-I629 WeakPolarHBondContact CD2-CD1 3.33Å; H625-I629 VanDerWaalsContact O-CB 3.28Å; H625-I629 WeakPolarHBondContact O-CB 3.28Å; H625-I629 PolarHBondContact O-N 2.92Å; I629-N690 PolarHBondContact O-ND2 3.1Å
630	E	73.4	Confident	77.1	Confident	14 Å²	14	37.7 Å²	37.7	7%	0.065	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	141	173.2	-62	-179.9	165.2	0	0	111	Q564 S566 T693	Q564-E630 PolarHBondContact N-O 2.03Å; Q564-E630 VanDerWaalsContact N-O 3.11Å; Q564-E630 WeakPolarHBondContact O-CB 3.35Å; Q564-E630 PolarHBondContact O-N 2.79Å; S566-E630 VanDerWaalsContact CB-OE1 3.26Å; S566-E630 WeakPolarHBondContact CB-OE1 3.31Å; E630-T693 HydrophobicContact CG-CG2 4.18Å
631	Y	79.9	Confident	77.1	Confident	10 Å²	10	39.6 Å²	39.6	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.2	176.9	176.6	-93.8	0	0	0	110.5	I562 L563 L618 G633 K635 C688 P715 F731	I562-Y631 HydrophobicContact CG2-CD2 3.64Å; I562-Y631 HydrophobicContact CG2-CE2 3.31Å; I562-Y631 WeakPolarHBondContact O-CA 3.45Å; L563-Y631 HydrophobicContact CD2-CD2 4.28Å; L618-Y631 HydrophobicContact CD2-CD2 4.12Å; L618-Y631 HydrophobicContact CD2-CE2 3.82Å; Y631-G633 WeakPolarHBondContact CE1-O 3.49Å; Y631-G633 VanDerWaalsContact CZ-CA 3.42Å; Y631-G633 VanDerWaalsContact OH-C 3.27Å; Y631-G633 VanDerWaalsContact OH-CA 3.31Å; Y631-G633 WeakPolarHBondContact OH-CA 3.11Å; Y631-K635 HydrophobicContact CE1-CB 4.26Å; Y631-K635 WeakPolarHBondContact OH-CB 3.17Å; Y631-K635 PolarHBondContact OH-N 3.48Å; Y631-C688 HydrophobicContact CD1-CB 4.18Å; Y631-C688 WeakPolarHBondContact CD1-O 3.42Å; Y631-C688 HydrophobicContact CE1-CB 4.27Å; Y631-P715 HydrophobicContact CD2-CG 4.48Å; Y631-P715 HydrophobicContact CG-CB 4.16Å; Y631-P715 HydrophobicContact CG-CG 4.09Å; Y631-F731 AromaticContact CD2-CE2 3.87Å; Y631-F731 HydrophobicContact CD2-CE2 3.87Å; Y631-F731 AromaticContact CD2-CZ 3.83Å; Y631-F731 HydrophobicContact CD2-CZ 3.83Å; Y631-F731 HydrophobicContact CE1-CE2 4.43Å; Y631-F731 HydrophobicContact CE1-CZ 4.35Å; Y631-F731 HydrophobicContact CE2-CE1 4.21Å; Y631-F731 AromaticContact CE2-CE2 3.77Å; Y631-F731 HydrophobicContact CE2-CE2 3.77Å; Y631-F731 AromaticContact CE2-CZ 3.27Å; Y631-F731 HydrophobicContact CE2-CZ 3.27Å; Y631-F731 HydrophobicContact CG-CE2 4.27Å; Y631-F731 AromaticContact CZ-CZ 3.59Å
632	N	75	Confident	77.4	Confident	34 Å²	34	43.1 Å²	43.1	18%	0.182	22%	0.22	C	C	.	.			trans	-109.6	25.4	-174.8	-73.4	-46.4	0	0	0	113.3	I562 A612	I562-N632 PolarHBondContact O-N 3.44Å; A612-N632 HydrophobicContact CB-CB 4.41Å; A612-N632 PolarHBondContact N-O 2.82Å
633	G	75.9	Confident	78.1	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.031	23%	0.234	C	C	.	.	S	Bend	trans	-100.8	177.1	-173.2	0	0	0	0	0	116.4	I562 Y631 Q687	I562-G633 VanDerWaalsContact CD1-CA 3.42Å; I562-G633 VanDerWaalsContact CG1-CA 3.48Å; Y631-G633 WeakPolarHBondContact CE1-O 3.49Å; Y631-G633 VanDerWaalsContact CZ-CA 3.42Å; Y631-G633 VanDerWaalsContact OH-C 3.27Å; Y631-G633 VanDerWaalsContact OH-CA 3.31Å; Y631-G633 WeakPolarHBondContact OH-CA 3.11Å; G633-Q687 WeakPolarHBondContact O-CG 3.38Å
634	P	80.7	Confident	79.1	Confident	38 Å²	38	43.3 Å²	43.3	25%	0.247	23%	0.226	C	C	.	.			trans	-84	-6.5	-173	33.8	-36.5	0	0	0	114.8	Y611 N636	Y611-P634 HydrophobicContact CD1-CB 4.09Å; Y611-P634 HydrophobicContact CD2-CB 4.18Å; Y611-P634 HydrophobicContact CE1-CB 4.28Å; Y611-P634 HydrophobicContact CE2-CB 4.38Å; Y611-P634 HydrophobicContact CG-CB 4.04Å; P634-N636 PolarHBondContact O-N 3.03Å
635	K	85.6	Confident	80.3	Confident	57 Å²	57	39 Å²	39	25%	0.248	20%	0.202	C	C	.	.			trans	-65.1	125	-172	-163.9	177.5	-163.1	173.5	0	111	Y631 Q687 C688 C730 F731	Y631-K635 HydrophobicContact CE1-CB 4.26Å; Y631-K635 WeakPolarHBondContact OH-CB 3.17Å; Y631-K635 PolarHBondContact OH-N 3.48Å; K635-Q687 CarbonylContact O-C 3.53Å; K635-Q687 VanDerWaalsContact O-CA 3.27Å; K635-Q687 WeakPolarHBondContact O-CA 3.39Å; K635-Q687 WeakPolarHBondContact O-CB 3.28Å; K635-C688 PolarHBondContact O-N 3.35Å; K635-C688 PolarHBondContact O-SG 3.4Å; K635-C730 HydrophobicContact CD-CB 4.39Å; K635-C730 WeakPolarHBondContact CE-O 3.02Å; K635-C730 PolarHBondContact NZ-O 2.82Å; K635-F731 HydrophobicContact CB-CZ 4.16Å; K635-F731 HydrophobicContact CD-CD1 4.29Å; K635-F731 HydrophobicContact CD-CE1 3.47Å; K635-F731 VanDerWaalsContact CD-CE1 3.47Å; K635-F731 HydrophobicContact CD-CE2 3.99Å; K635-F731 HydrophobicContact CD-CZ 3.28Å; K635-F731 HydrophobicContact CG-CZ 4.34Å; K635-F731 VanDerWaalsContact NZ-CE1 3.33Å
636	N	90.2	Very high	81.3	Confident	56 Å²	56	39 Å²	39	30%	0.299	21%	0.205	S	C	.	.			trans	-132.5	29.3	-178.4	66.3	-24.1	0	0	0	111.5	P634 C644 N686	P634-N636 PolarHBondContact O-N 3.03Å; N636-C644 HydrophobicContact CB-CB 4.44Å; N636-C644 VanDerWaalsContact O-CB 3.28Å; N636-C644 WeakPolarHBondContact O-CB 3.4Å; N636-C644 PolarHBondContact O-N 3Å; N636-C644 PolarHBondContact O-SG 3.14Å; N636-N686 VanDerWaalsContact CB-O 3.28Å; N636-N686 WeakPolarHBondContact CB-O 2.89Å; N636-N686 PolarHBondContact ND2-ND2 3.2Å
637	K	90.3	Very high	82.2	Confident	81 Å²	81	38.8 Å²	38.8	35%	0.352	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-132.5	143.4	174.5	-76.3	-175.7	168.9	-62.4	0	110.6	G641 E642 D643	K637-G641 PolarHBondContact NZ-O 3.26Å; K637-E642 VanDerWaalsContact CA-O 3.29Å; K637-E642 WeakPolarHBondContact CA-O 3.45Å; K637-D643 VanDerWaalsContact CE-OD1 3.27Å; K637-D643 WeakPolarHBondContact CE-OD1 3.17Å; K637-D643 IonicContact NZ-OD1 3.65Å; K637-D643 PolarHBondContact NZ-OD1 2.76Å; K637-D643 IonicContact NZ-OD2 2.63Å; K637-D643 PolarHBondContact NZ-OD2 3.13Å
638	T	88.8	Confident	83.4	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.037	21%	0.207	C	C	.	.			trans	-76.1	171.4	177.4	76.9	0	0	0	0	111.4	Y640 G641 E642 V719 Q728	T638-Y640 PolarHBondContact O-N 2.79Å; T638-Y640 PolarHBondContact OG1-N 2.71Å; T638-G641 PolarHBondContact O-N 2.94Å; T638-E642 HydrophobicContact CG2-CB 4.34Å; T638-E642 PolarHBondContact N-O 3.41Å; T638-V719 HydrophobicContact CG2-CG1 3.43Å; T638-V719 VanDerWaalsContact CG2-CG1 3.43Å; T638-Q728 HydrophobicContact CG2-CB 3.6Å; T638-Q728 PolarHBondContact OG1-OE1 2.92Å
639	I	85.9	Confident	84.7	Confident	33 Å²	33	40.8 Å²	40.8	17%	0.169	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-12	171.8	59.3	163.6	0	0	0	114.6	P729 F731 R732 F758	I639-P729 HydrophobicContact CD1-CG 3.83Å; I639-P729 HydrophobicContact CG1-CG 4.07Å; I639-P729 PolarHBondContact N-O 2.84Å; I639-F731 WeakPolarHBondContact CG2-O 3.31Å; I639-R732 HydrophobicContact CG2-CG 4.19Å; I639-F758 HydrophobicContact CD1-CD1 4.48Å; I639-F758 HydrophobicContact CD1-CD2 3.65Å; I639-F758 HydrophobicContact CD1-CE1 4.05Å; I639-F758 HydrophobicContact CD1-CE2 3.16Å; I639-F758 HydrophobicContact CD1-CG 4.31Å; I639-F758 HydrophobicContact CD1-CZ 3.38Å
640	Y	81.5	Confident	85.9	Confident	108 Å²	108	40.5 Å²	40.5	42%	0.424	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-2.6	177.9	-53	-72.5	0	0	0	113	T638 E642 F758	T638-Y640 PolarHBondContact O-N 2.79Å; T638-Y640 PolarHBondContact OG1-N 2.71Å; Y640-E642 VanDerWaalsContact C-N 3.33Å; Y640-F758 WeakPolarHBondContact OH-CD1 3.43Å; Y640-F758 WeakPolarHBondContact OH-CE1 3.43Å
641	G	84.6	Confident	86.6	Confident	40 Å²	40	40 Å²	40	41%	0.412	21%	0.21	S	C	.	.	S	Bend	trans	87.4	-6.4	-178.2	0	0	0	0	0	115.3	K637 T638	K637-G641 PolarHBondContact NZ-O 3.26Å; T638-G641 PolarHBondContact O-N 2.94Å
642	E	87.5	Confident	86.9	Confident	75 Å²	75	42 Å²	42	35%	0.35	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-60.8	140.9	175.8	-59.5	-74.4	-174.4	0	0	111.2	K637 T638 Y640 V719	K637-E642 VanDerWaalsContact CA-O 3.29Å; K637-E642 WeakPolarHBondContact CA-O 3.45Å; T638-E642 HydrophobicContact CG2-CB 4.34Å; T638-E642 PolarHBondContact N-O 3.41Å; Y640-E642 VanDerWaalsContact C-N 3.33Å; E642-V719 HydrophobicContact CB-CB 4.33Å; E642-V719 HydrophobicContact CB-CG1 3.86Å
643	D	91	Very high	87.4	Confident	97 Å²	97	43.3 Å²	43.3	52%	0.519	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-81.4	129.6	-178.5	-75.5	-61	0	0	0	112.8	K637	K637-D643 VanDerWaalsContact CE-OD1 3.27Å; K637-D643 WeakPolarHBondContact CE-OD1 3.17Å; K637-D643 IonicContact NZ-OD1 3.65Å; K637-D643 PolarHBondContact NZ-OD1 2.76Å; K637-D643 IonicContact NZ-OD2 2.63Å; K637-D643 PolarHBondContact NZ-OD2 3.13Å
644	C	93.9	Very high	87.7	Confident	9 Å²	9	43.2 Å²	43.2	6%	0.061	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-69.7	132.3	179.8	-64	0	0	0	0	112.3	N636 N686 C717	N636-C644 HydrophobicContact CB-CB 4.44Å; N636-C644 VanDerWaalsContact O-CB 3.28Å; N636-C644 WeakPolarHBondContact O-CB 3.4Å; N636-C644 PolarHBondContact O-N 3Å; N636-C644 PolarHBondContact O-SG 3.14Å; C644-N686 WeakPolarHBondContact CB-O 3.31Å; C644-C717 VanDerWaalsContact CA-SG 3.59Å; C644-C717 HydrophobicContact CB-CB 3.59Å; C644-C717 WeakPolarHBondContact CB-SG 3.28Å; C644-C717 WeakPolarHBondContact SG-CB 3.49Å; C644-C717 CovalentContact SG-SG 2.02Å; C644-C717 PolarHBondContact SG-SG 3.02Å
645	I	91	Very high	87.8	Confident	31 Å²	31	48.2 Å²	48.2	16%	0.159	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-71.9	146.9	172.5	-52.9	165.2	0	0	0	109.6	W647 H649 M650 F718 N720	I645-W647 PolarHBondContact O-N 2.74Å; I645-H649 HydrophobicContact CG2-CB 4.02Å; I645-M650 HydrophobicContact CB-CE 4.05Å; I645-M650 HydrophobicContact CD1-CE 3.66Å; I645-M650 HydrophobicContact CG1-CE 4.48Å; I645-M650 HydrophobicContact CG2-CE 3.7Å; I645-F718 WeakPolarHBondContact CG1-O 3.44Å; I645-F718 PolarHBondContact N-O 2.84Å; I645-N720 HydrophobicContact CD1-CB 4.02Å
646	S	91.9	Very high	87.7	Confident	21 Å²	21	52.5 Å²	52.5	15%	0.147	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-57	130.8	169.9	-173.6	0	0	0	0	112	S648 H649 M650 H685	S646-S648 PolarHBondContact O-N 3.34Å; S646-S648 PolarHBondContact OG-OG 3.39Å; S646-H649 WeakPolarHBondContact O-CB 3.18Å; S646-H649 PolarHBondContact O-N 3.16Å; S646-M650 PolarHBondContact O-N 3.39Å; S646-H685 CarbonylContact C-O 2.88Å; S646-H685 WeakPolarHBondContact CA-O 3.09Å; S646-H685 PolarHBondContact OG-O 3.02Å
647	W	91.9	Very high	86.8	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-28.6	177	-69.4	90.1	0	0	0	112.7	I645 H649 M650 M651 F667 F679 H685 Q687 L689 I691 I716 C717 F718	I645-W647 PolarHBondContact O-N 2.74Å; W647-H649 PolarHBondContact O-N 2.9Å; W647-M650 WeakPolarHBondContact O-CA 3.34Å; W647-M650 WeakPolarHBondContact O-CB 3.41Å; W647-M650 PolarHBondContact O-N 3.31Å; W647-M651 WeakPolarHBondContact O-CG 3.33Å; W647-M651 PolarHBondContact O-N 2.92Å; W647-F667 HydrophobicContact CE3-CE1 4.11Å; W647-F667 HydrophobicContact CE3-CZ 4.4Å; W647-F667 AromaticContact CZ3-CE1 3.92Å; W647-F667 HydrophobicContact CZ3-CE1 3.92Å; W647-F667 HydrophobicContact CZ3-CZ 4.01Å; W647-F679 HydrophobicContact CB-CD1 4.2Å; W647-F679 HydrophobicContact CB-CE1 3.32Å; W647-F679 HydrophobicContact CB-CE2 4.1Å; W647-F679 HydrophobicContact CB-CZ 3.26Å; W647-F679 HydrophobicContact CG-CE1 4.32Å; W647-F679 AromaticContact CG-CZ 3.83Å; W647-F679 HydrophobicContact CG-CZ 3.83Å; W647-H685 AromaticContact CD1-CD2 3.5Å; W647-H685 VanDerWaalsContact CD1-O 3.3Å; W647-H685 PolarHBondContact N-O 3.17Å; W647-H685 AromaticContact NE1-CD2 3.93Å; W647-Q687 PolarHBondContact NE1-O 3.22Å; W647-L689 HydrophobicContact CD2-CD1 4.02Å; W647-L689 HydrophobicContact CG-CD1 4.33Å; W647-L689 HydrophobicContact CH2-CB 4.26Å; W647-L689 HydrophobicContact CZ2-CB 3.75Å; W647-L689 HydrophobicContact CZ2-CD1 4.16Å; W647-L689 HydrophobicContact CZ2-CG 4.12Å; W647-I691 HydrophobicContact CH2-CD1 3.71Å; W647-I691 HydrophobicContact CH2-CG1 4.01Å; W647-I691 HydrophobicContact CZ3-CD1 3.75Å; W647-I691 HydrophobicContact CZ3-CG1 4.31Å; W647-I716 HydrophobicContact CH2-CG1 4.31Å; W647-I716 WeakPolarHBondContact CZ2-O 3.4Å; W647-C717 HydrophobicContact CZ2-CB 4.45Å; W647-F718 AromaticContact CH2-CD2 3.97Å; W647-F718 HydrophobicContact CH2-CD2 3.97Å; W647-F718 AromaticContact CH2-CE2 3.99Å; W647-F718 HydrophobicContact CH2-CE2 3.99Å; W647-F718 AromaticContact CZ3-CD2 3.86Å; W647-F718 HydrophobicContact CZ3-CD2 3.86Å; W647-F718 AromaticContact CZ3-CE2 3.76Å; W647-F718 HydrophobicContact CZ3-CE2 3.76Å
648	S	88.5	Confident	85.8	Confident	31 Å²	31	51.9 Å²	51.9	22%	0.217	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-28.3	172	42	0	0	0	0	113.1	S646 D652 M683	S646-S648 PolarHBondContact O-N 3.34Å; S646-S648 PolarHBondContact OG-OG 3.39Å; S648-D652 PolarHBondContact O-N 3.42Å; S648-M683 WeakPolarHBondContact CB-O 3.45Å; S648-M683 PolarHBondContact OG-O 3.2Å
649	H	88	Confident	85	Confident	105 Å²	105	52.9 Å²	52.9	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-73.9	-41	167.5	-63	174.2	0	0	0	111.2	I645 S646 W647 M651 D652 Y653	I645-H649 HydrophobicContact CG2-CB 4.02Å; S646-H649 WeakPolarHBondContact O-CB 3.18Å; S646-H649 PolarHBondContact O-N 3.16Å; W647-H649 PolarHBondContact O-N 2.9Å; H649-M651 VanDerWaalsContact C-N 3.26Å; H649-M651 PolarHBondContact O-N 2.82Å; H649-D652 WeakPolarHBondContact O-CA 3.48Å; H649-D652 WeakPolarHBondContact O-CB 3.45Å; H649-D652 PolarHBondContact O-N 3.01Å; H649-Y653 HydrophobicContact CB-CD2 4.38Å; H649-Y653 HydrophobicContact CB-CE2 4.22Å; H649-Y653 WeakPolarHBondContact O-CD2 3.34Å; H649-Y653 PolarHBondContact O-N 2.97Å
650	M	89	Confident	84.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-39.4	176.5	-66.1	-62.6	95.4	0	0	112.6	I645 S646 W647 D652 Y653 A654 M659 F718 I725	I645-M650 HydrophobicContact CB-CE 4.05Å; I645-M650 HydrophobicContact CD1-CE 3.66Å; I645-M650 HydrophobicContact CG1-CE 4.48Å; I645-M650 HydrophobicContact CG2-CE 3.7Å; S646-M650 PolarHBondContact O-N 3.39Å; W647-M650 WeakPolarHBondContact O-CA 3.34Å; W647-M650 WeakPolarHBondContact O-CB 3.41Å; W647-M650 PolarHBondContact O-N 3.31Å; M650-D652 VanDerWaalsContact C-N 3.35Å; M650-Y653 HydrophobicContact CE-CD2 3.57Å; M650-Y653 HydrophobicContact CE-CE2 3.91Å; M650-Y653 PolarHBondContact O-N 2.73Å; M650-A654 VanDerWaalsContact O-CB 3.31Å; M650-A654 WeakPolarHBondContact O-CB 3.3Å; M650-A654 PolarHBondContact O-N 2.95Å; M650-M659 HydrophobicContact SD-CE 3.74Å; M650-F718 HydrophobicContact CE-CB 4.4Å; M650-F718 HydrophobicContact CG-CB 3.91Å; M650-F718 HydrophobicContact CG-CD2 4.15Å; M650-F718 HydrophobicContact CG-CG 4.03Å; M650-F718 HydrophobicContact SD-CB 3.26Å; M650-F718 WeakPolarHBondContact SD-CB 3.5Å; M650-F718 HydrophobicContact SD-CD1 3.72Å; M650-F718 HydrophobicContact SD-CD2 4.12Å; M650-F718 HydrophobicContact SD-CG 3.43Å; M650-F718 WeakPolarHBondContact SD-CG 3.23Å; M650-I725 HydrophobicContact CE-CD1 4.19Å; M650-I725 HydrophobicContact CE-CG1 4.47Å; M650-I725 HydrophobicContact CE-CG2 3.76Å; M650-I725 HydrophobicContact SD-CG2 3.57Å; M650-I725 VanDerWaalsContact SD-CG2 3.57Å
651	M	87.5	Confident	83.5	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.02	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-32.7	175	-62.1	-65.1	-65.7	0	0	112.7	W647 H649 R655 F667 F679	W647-M651 WeakPolarHBondContact O-CG 3.33Å; W647-M651 PolarHBondContact O-N 2.92Å; H649-M651 VanDerWaalsContact C-N 3.26Å; H649-M651 PolarHBondContact O-N 2.82Å; M651-R655 WeakPolarHBondContact O-CB 3.3Å; M651-R655 WeakPolarHBondContact O-CD 3.38Å; M651-R655 WeakPolarHBondContact O-CG 3.47Å; M651-R655 PolarHBondContact O-N 2.96Å; M651-F667 HydrophobicContact CE-CB 4.42Å; M651-F667 WeakPolarHBondContact CE-O 3.29Å; M651-F667 HydrophobicContact SD-CB 3.93Å; M651-F667 HydrophobicContact SD-CD1 3.51Å; M651-F667 VanDerWaalsContact SD-CD1 3.51Å; M651-F667 HydrophobicContact SD-CE1 4.33Å; M651-F667 HydrophobicContact SD-CG 4.02Å; M651-F679 HydrophobicContact CE-CB 4.05Å; M651-F679 HydrophobicContact CG-CB 3.64Å; M651-F679 HydrophobicContact CG-CD1 4.43Å; M651-F679 HydrophobicContact CG-CD2 4.44Å; M651-F679 HydrophobicContact CG-CG 3.95Å; M651-F679 HydrophobicContact SD-CB 4.22Å
652	D	86.4	Confident	83.1	Confident	50 Å²	50	55 Å²	55	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-69.8	-47.1	173.7	168.8	50.5	0	0	0	111.6	S648 H649 M650 A654 R655 R656	S648-D652 PolarHBondContact O-N 3.42Å; H649-D652 WeakPolarHBondContact O-CA 3.48Å; H649-D652 WeakPolarHBondContact O-CB 3.45Å; H649-D652 PolarHBondContact O-N 3.01Å; M650-D652 VanDerWaalsContact C-N 3.35Å; D652-A654 VanDerWaalsContact C-N 3.32Å; D652-A654 PolarHBondContact O-N 2.84Å; D652-R655 PolarHBondContact O-N 3.03Å; D652-R656 VanDerWaalsContact CG-CZ 3.47Å; D652-R656 WeakPolarHBondContact O-CG 3.42Å; D652-R656 PolarHBondContact O-N 2.6Å; D652-R656 IonicContact OD1-CZ 2.68Å; D652-R656 IonicContact OD1-NE 3.36Å; D652-R656 PolarHBondContact OD1-NE 3.44Å; D652-R656 IonicContact OD1-NH2 3.22Å; D652-R656 PolarHBondContact OD1-NH2 3.28Å; D652-R656 IonicContact OD2-CZ 3.17Å; D652-R656 IonicContact OD2-NE 3.36Å; D652-R656 IonicContact OD2-NH1 2.96Å; D652-R656 IonicContact OD2-NH2 2.85Å; D652-R656 PolarHBondContact OD2-NH2 3.34Å
653	Y	84.5	Confident	82.9	Confident	62 Å²	62	51.8 Å²	51.8	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-57.6	-42.7	170.2	-73.8	-70.7	0	0	0	112.4	H649 M650 R656 G657 E658 I725	H649-Y653 HydrophobicContact CB-CD2 4.38Å; H649-Y653 HydrophobicContact CB-CE2 4.22Å; H649-Y653 WeakPolarHBondContact O-CD2 3.34Å; H649-Y653 PolarHBondContact O-N 2.97Å; M650-Y653 HydrophobicContact CE-CD2 3.57Å; M650-Y653 HydrophobicContact CE-CE2 3.91Å; M650-Y653 PolarHBondContact O-N 2.73Å; Y653-R656 PolarHBondContact O-N 3.33Å; Y653-G657 PolarHBondContact O-N 2.88Å; Y653-E658 HydrophobicContact CD1-CB 4.21Å; Y653-E658 WeakPolarHBondContact CD1-OE2 3.41Å; Y653-E658 PolarHBondContact O-N 3.33Å; Y653-I725 HydrophobicContact CD1-CD1 3.57Å; Y653-I725 HydrophobicContact CD2-CD1 3.63Å; Y653-I725 HydrophobicContact CE1-CD1 3.54Å; Y653-I725 HydrophobicContact CE2-CD1 3.61Å; Y653-I725 HydrophobicContact CG-CD1 3.61Å
654	A	83.4	Confident	82.5	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-43.8	175.5	0	0	0	0	0	112	M650 D652 R656 G657 M659 F667 Q668	M650-A654 VanDerWaalsContact O-CB 3.31Å; M650-A654 WeakPolarHBondContact O-CB 3.3Å; M650-A654 PolarHBondContact O-N 2.95Å; D652-A654 VanDerWaalsContact C-N 3.32Å; D652-A654 PolarHBondContact O-N 2.84Å; A654-R656 VanDerWaalsContact C-N 3.32Å; A654-R656 PolarHBondContact O-N 2.88Å; A654-G657 PolarHBondContact O-N 3.48Å; A654-G657 VanDerWaalsContact O-N 3.1Å; A654-M659 HydrophobicContact CB-CG 4.04Å; A654-F667 HydrophobicContact CB-CB 3.59Å; A654-F667 HydrophobicContact CB-CD2 3.91Å; A654-F667 HydrophobicContact CB-CG 4.08Å; A654-Q668 PolarHBondContact O-NE2 2.78Å
655	R	83.3	Confident	81.8	Confident	143 Å²	143	54.2 Å²	54.2	54%	0.54	26%	0.256	S	S	.	.	H	α-helix	trans	-59.8	-39.7	176.5	-76.4	161.9	-171.3	159.6	4.3	112.2	M651 D652 G657 F679	M651-R655 WeakPolarHBondContact O-CB 3.3Å; M651-R655 WeakPolarHBondContact O-CD 3.38Å; M651-R655 WeakPolarHBondContact O-CG 3.47Å; M651-R655 PolarHBondContact O-N 2.96Å; D652-R655 PolarHBondContact O-N 3.03Å; R655-G657 PolarHBondContact O-N 2.83Å; R655-F679 PolarHBondContact NH2-O 3.35Å; R655-F679 VanDerWaalsContact NH2-O 3.09Å
656	R	82.4	Confident	81.5	Confident	147 Å²	147	52.8 Å²	52.8	56%	0.555	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.4	175.7	-65.5	172	-167.5	172.8	3.9	114.8	D652 Y653 A654 E658	D652-R656 VanDerWaalsContact CG-CZ 3.47Å; D652-R656 WeakPolarHBondContact O-CG 3.42Å; D652-R656 PolarHBondContact O-N 2.6Å; D652-R656 IonicContact OD1-CZ 2.68Å; D652-R656 IonicContact OD1-NE 3.36Å; D652-R656 PolarHBondContact OD1-NE 3.44Å; D652-R656 IonicContact OD1-NH2 3.22Å; D652-R656 PolarHBondContact OD1-NH2 3.28Å; D652-R656 IonicContact OD2-CZ 3.17Å; D652-R656 IonicContact OD2-NE 3.36Å; D652-R656 IonicContact OD2-NH1 2.96Å; D652-R656 IonicContact OD2-NH2 2.85Å; D652-R656 PolarHBondContact OD2-NH2 3.34Å; Y653-R656 PolarHBondContact O-N 3.33Å; A654-R656 VanDerWaalsContact C-N 3.32Å; A654-R656 PolarHBondContact O-N 2.88Å; R656-E658 VanDerWaalsContact C-N 3.31Å; R656-E658 HydrophobicContact CB-CG 4Å; R656-E658 WeakPolarHBondContact CD-OE1 3.15Å; R656-E658 IonicContact NH1-OE1 2.8Å
657	G	71.5	Confident	81.3	Confident	41 Å²	41	52 Å²	52	42%	0.423	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	13.7	-176.4	0	0	0	0	0	114.4	Y653 A654 R655 M659	Y653-G657 PolarHBondContact O-N 2.88Å; A654-G657 PolarHBondContact O-N 3.48Å; A654-G657 VanDerWaalsContact O-N 3.1Å; R655-G657 PolarHBondContact O-N 2.83Å; G657-M659 PolarHBondContact O-N 2.84Å
658	E	69.8	Low	80.9	Confident	83 Å²	83	55.8 Å²	55.8	39%	0.388	26%	0.26	S	S	.	.			trans	-77.1	21.3	178.3	-60.6	179.5	-123.7	0	0	112.7	Y653 R656	Y653-E658 HydrophobicContact CD1-CB 4.21Å; Y653-E658 WeakPolarHBondContact CD1-OE2 3.41Å; Y653-E658 PolarHBondContact O-N 3.33Å; R656-E658 VanDerWaalsContact C-N 3.31Å; R656-E658 HydrophobicContact CB-CG 4Å; R656-E658 WeakPolarHBondContact CD-OE1 3.15Å; R656-E658 IonicContact NH1-OE1 2.8Å
659	M	71.4	Confident	80.5	Confident	28 Å²	28	55.6 Å²	55.6	14%	0.138	26%	0.257	C	S	.	.	S	Bend	trans	-128.9	152.2	-173.8	-75.4	-72.9	-176.2	0	0	111.3	M650 A654 G657 W663 F667 F718 I725	M650-M659 HydrophobicContact SD-CE 3.74Å; A654-M659 HydrophobicContact CB-CG 4.04Å; G657-M659 PolarHBondContact O-N 2.84Å; M659-W663 HydrophobicContact CB-CB 4.13Å; M659-W663 HydrophobicContact CG-CB 4.5Å; M659-W663 HydrophobicContact SD-CB 4.11Å; M659-F667 HydrophobicContact CE-CE2 4.28Å; M659-F667 HydrophobicContact SD-CE2 4.48Å; M659-F718 HydrophobicContact CE-CE1 4.4Å; M659-I725 HydrophobicContact CE-CG2 3.84Å
660	N	67.7	Low	80.3	Confident	80 Å²	80	53.7 Å²	53.7	43%	0.428	25%	0.253	S	S	.	.			trans	-65.4	167.4	175	85.2	16.1	0	0	0	111.8	Q662 W663 K664	N660-Q662 PolarHBondContact O-N 2Å; N660-Q662 PolarHBondContact OD1-N 2.98Å; N660-Q662 VanDerWaalsContact OD1-N 3.1Å; N660-W663 PolarHBondContact O-N 3.16Å; N660-W663 VanDerWaalsContact OD1-CD1 3.3Å; N660-W663 PolarHBondContact OD1-N 3.16Å; N660-K664 VanDerWaalsContact O-CB 3.3Å; N660-K664 WeakPolarHBondContact O-CB 2.87Å; N660-K664 PolarHBondContact O-N 3.36Å
661	H	69.2	Low	79.6	Confident	138 Å²	138	61.5 Å²	61.5	64%	0.639	28%	0.282	S	S	*	.	H	α-helix	trans	-58.1	-42.4	-175.1	-175.8	-83.6	0	0	0	114	W665	H661-W665 WeakPolarHBondContact O-CB 3.4Å; H661-W665 PolarHBondContact O-N 2.94Å
662	Q	74.9	Confident	79	Confident	6 Å²	6	61.6 Å²	61.6	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-64.7	-49.9	178.4	174.1	-143.5	2	0	0	110.9	N660 K664 W665 I666 Y701 G706	N660-Q662 PolarHBondContact O-N 2Å; N660-Q662 PolarHBondContact OD1-N 2.98Å; N660-Q662 VanDerWaalsContact OD1-N 3.1Å; Q662-K664 VanDerWaalsContact C-N 3.34Å; Q662-K664 PolarHBondContact O-N 2.68Å; Q662-W665 WeakPolarHBondContact O-CB 3.28Å; Q662-W665 PolarHBondContact O-N 3.35Å; Q662-I666 HydrophobicContact CG-CD1 3.91Å; Q662-I666 VanDerWaalsContact O-CG1 3.31Å; Q662-I666 WeakPolarHBondContact O-CG1 3.46Å; Q662-I666 PolarHBondContact O-N 2.79Å; Q662-Y701 PolarHBondContact NE2-OH 3.46Å; Q662-G706 PolarHBondContact OE1-O 3.41Å
663	W	83.6	Confident	78.9	Confident	8 Å²	8	59.2 Å²	59.2	3%	0.03	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-40.4	177.8	-73	123.5	0	0	0	111.7	M659 N660 W665 I666 F667 I691 D708 I710 I711 I716 F718 P727	M659-W663 HydrophobicContact CB-CB 4.13Å; M659-W663 HydrophobicContact CG-CB 4.5Å; M659-W663 HydrophobicContact SD-CB 4.11Å; N660-W663 PolarHBondContact O-N 3.16Å; N660-W663 VanDerWaalsContact OD1-CD1 3.3Å; N660-W663 PolarHBondContact OD1-N 3.16Å; W663-W665 PolarHBondContact O-N 3.49Å; W663-I666 HydrophobicContact CE3-CB 4.49Å; W663-I666 HydrophobicContact CE3-CD1 3.88Å; W663-I666 HydrophobicContact CE3-CG2 4.49Å; W663-I666 HydrophobicContact CZ3-CD1 3.9Å; W663-I666 HydrophobicContact CZ3-CG2 4.47Å; W663-I666 PolarHBondContact O-N 3.05Å; W663-F667 HydrophobicContact CB-CD2 4.15Å; W663-F667 HydrophobicContact CB-CE2 4.11Å; W663-F667 HydrophobicContact CD2-CE2 4.21Å; W663-F667 HydrophobicContact CE3-CD2 4.33Å; W663-F667 AromaticContact CE3-CE2 3.62Å; W663-F667 HydrophobicContact CE3-CE2 3.62Å; W663-F667 AromaticContact CE3-CZ 3.87Å; W663-F667 HydrophobicContact CE3-CZ 3.87Å; W663-F667 HydrophobicContact CG-CE2 4.44Å; W663-F667 HydrophobicContact CZ3-CE2 4.41Å; W663-F667 HydrophobicContact CZ3-CZ 4.22Å; W663-F667 WeakPolarHBondContact O-CB 2.92Å; W663-F667 WeakPolarHBondContact O-CD2 3.41Å; W663-F667 WeakPolarHBondContact O-CG 3.33Å; W663-F667 PolarHBondContact O-N 3.5Å; W663-I691 HydrophobicContact CH2-CD1 3.84Å; W663-I691 HydrophobicContact CZ3-CD1 3.46Å; W663-I691 VanDerWaalsContact CZ3-CD1 3.46Å; W663-D708 HydrophobicContact CZ2-CB 4.36Å; W663-D708 PolarHBondContact NE1-OD2 2.77Å; W663-I710 HydrophobicContact CH2-CG2 4.46Å; W663-I710 HydrophobicContact CZ2-CG2 3.92Å; W663-I711 HydrophobicContact CH2-CD1 3.46Å; W663-I711 VanDerWaalsContact CH2-CD1 3.46Å; W663-I711 HydrophobicContact CH2-CG1 3.54Å; W663-I711 HydrophobicContact CZ2-CD1 4.04Å; W663-I711 HydrophobicContact CZ2-CG1 4.15Å; W663-I711 HydrophobicContact CZ3-CD1 3.94Å; W663-I711 HydrophobicContact CZ3-CG1 4.36Å; W663-I716 HydrophobicContact CH2-CD1 3.71Å; W663-I716 HydrophobicContact CZ2-CD1 4.39Å; W663-F718 HydrophobicContact CD2-CE1 4.34Å; W663-F718 AromaticContact CD2-CZ 3.76Å; W663-F718 HydrophobicContact CD2-CZ 3.76Å; W663-F718 AromaticContact CE2-CZ 3.77Å; W663-F718 AromaticContact CE3-CZ 3.76Å; W663-F718 HydrophobicContact CE3-CZ 3.76Å; W663-F718 HydrophobicContact CG-CZ 4.48Å; W663-F718 HydrophobicContact CH2-CE2 4.28Å; W663-F718 AromaticContact CH2-CZ 3.82Å; W663-F718 HydrophobicContact CH2-CZ 3.82Å; W663-F718 AromaticContact CZ2-CZ 3.83Å; W663-F718 HydrophobicContact CZ2-CZ 3.83Å; W663-F718 HydrophobicContact CZ3-CE2 4.23Å; W663-F718 AromaticContact CZ3-CZ 3.81Å; W663-F718 HydrophobicContact CZ3-CZ 3.81Å; W663-P727 HydrophobicContact CZ2-CB 3.91Å; W663-P727 HydrophobicContact CZ2-CG 3.76Å
664	K	82	Confident	78.8	Confident	89 Å²	89	56.3 Å²	56.3	39%	0.387	26%	0.259	S	S	.	.	H	α-helix	trans	-58.4	-46.5	171.9	-173.5	-179.5	179.8	178.4	0	111.6	N660 Q662 F667 Q668	N660-K664 VanDerWaalsContact O-CB 3.3Å; N660-K664 WeakPolarHBondContact O-CB 2.87Å; N660-K664 PolarHBondContact O-N 3.36Å; Q662-K664 VanDerWaalsContact C-N 3.34Å; Q662-K664 PolarHBondContact O-N 2.68Å; K664-F667 PolarHBondContact O-N 2.75Å; K664-Q668 HydrophobicContact CG-CG 4.16Å; K664-Q668 WeakPolarHBondContact O-CB 3.26Å; K664-Q668 VanDerWaalsContact O-CG 3.31Å; K664-Q668 WeakPolarHBondContact O-CG 3.41Å; K664-Q668 PolarHBondContact O-N 3.28Å
665	W	79.6	Confident	79	Confident	69 Å²	69	56.3 Å²	56.3	26%	0.261	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-48.3	177.4	179.7	52.5	0	0	0	111.8	H661 Q662 W663 F667 D669 A672 Y701 F704	H661-W665 WeakPolarHBondContact O-CB 3.4Å; H661-W665 PolarHBondContact O-N 2.94Å; Q662-W665 WeakPolarHBondContact O-CB 3.28Å; Q662-W665 PolarHBondContact O-N 3.35Å; W663-W665 PolarHBondContact O-N 3.49Å; W665-F667 PolarHBondContact O-N 3.2Å; W665-D669 PolarHBondContact NE1-OD2 2.87Å; W665-D669 VanDerWaalsContact O-CB 3.27Å; W665-D669 WeakPolarHBondContact O-CB 3.11Å; W665-D669 PolarHBondContact O-N 2.95Å; W665-A672 HydrophobicContact CD2-CB 3.88Å; W665-A672 VanDerWaalsContact CE2-CB 3.46Å; W665-A672 HydrophobicContact CG-CB 4.2Å; W665-A672 HydrophobicContact CH2-CB 4.42Å; W665-A672 HydrophobicContact CZ2-CB 3.76Å; W665-Y701 HydrophobicContact CE3-CE2 4.43Å; W665-Y701 HydrophobicContact CH2-CD2 4.16Å; W665-Y701 AromaticContact CZ3-CD2 3.71Å; W665-Y701 HydrophobicContact CZ3-CD2 3.71Å; W665-Y701 AromaticContact CZ3-CE2 3.76Å; W665-Y701 HydrophobicContact CZ3-CE2 3.76Å; W665-F704 HydrophobicContact CD2-CE2 4.33Å; W665-F704 HydrophobicContact CE3-CD2 4.14Å; W665-F704 HydrophobicContact CE3-CE2 4Å; W665-F704 HydrophobicContact CE3-CZ 4.35Å; W665-F704 AromaticContact CH2-CD2 3.91Å; W665-F704 HydrophobicContact CH2-CD2 3.91Å; W665-F704 HydrophobicContact CH2-CE2 4.27Å; W665-F704 AromaticContact CZ3-CD2 3.64Å; W665-F704 HydrophobicContact CZ3-CD2 3.64Å; W665-F704 AromaticContact CZ3-CE2 3.97Å; W665-F704 HydrophobicContact CZ3-CE2 3.97Å; W665-F704 HydrophobicContact CZ3-CG 4.07Å
666	I	84.4	Confident	79.2	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-60.9	-43.6	178.5	-67.8	165.1	0	0	0	112.3	Q662 W663 S673 L675 I691 Y701 I711	Q662-I666 HydrophobicContact CG-CD1 3.91Å; Q662-I666 VanDerWaalsContact O-CG1 3.31Å; Q662-I666 WeakPolarHBondContact O-CG1 3.46Å; Q662-I666 PolarHBondContact O-N 2.79Å; W663-I666 HydrophobicContact CE3-CB 4.49Å; W663-I666 HydrophobicContact CE3-CD1 3.88Å; W663-I666 HydrophobicContact CE3-CG2 4.49Å; W663-I666 HydrophobicContact CZ3-CD1 3.9Å; W663-I666 HydrophobicContact CZ3-CG2 4.47Å; W663-I666 PolarHBondContact O-N 3.05Å; I666-S673 PolarHBondContact O-OG 3.13Å; I666-L675 HydrophobicContact CG2-CD1 3.61Å; I666-I691 HydrophobicContact CG2-CG2 4.03Å; I666-Y701 HydrophobicContact CD1-CE2 4.18Å; I666-Y701 WeakPolarHBondContact CD1-OH 3.08Å; I666-Y701 HydrophobicContact CG1-CE2 4.34Å; I666-I711 HydrophobicContact CD1-CD1 3.88Å
667	F	87.6	Confident	79.3	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-88.1	-11	-175.4	-66.4	-50.6	0	0	0	115	W647 M651 A654 M659 W663 K664 W665 L675 F718	W647-F667 HydrophobicContact CE3-CE1 4.11Å; W647-F667 HydrophobicContact CE3-CZ 4.4Å; W647-F667 AromaticContact CZ3-CE1 3.92Å; W647-F667 HydrophobicContact CZ3-CE1 3.92Å; W647-F667 HydrophobicContact CZ3-CZ 4.01Å; M651-F667 HydrophobicContact CE-CB 4.42Å; M651-F667 WeakPolarHBondContact CE-O 3.29Å; M651-F667 HydrophobicContact SD-CB 3.93Å; M651-F667 HydrophobicContact SD-CD1 3.51Å; M651-F667 VanDerWaalsContact SD-CD1 3.51Å; M651-F667 HydrophobicContact SD-CE1 4.33Å; M651-F667 HydrophobicContact SD-CG 4.02Å; A654-F667 HydrophobicContact CB-CB 3.59Å; A654-F667 HydrophobicContact CB-CD2 3.91Å; A654-F667 HydrophobicContact CB-CG 4.08Å; M659-F667 HydrophobicContact CE-CE2 4.28Å; M659-F667 HydrophobicContact SD-CE2 4.48Å; W663-F667 HydrophobicContact CB-CD2 4.15Å; W663-F667 HydrophobicContact CB-CE2 4.11Å; W663-F667 HydrophobicContact CD2-CE2 4.21Å; W663-F667 HydrophobicContact CE3-CD2 4.33Å; W663-F667 AromaticContact CE3-CE2 3.62Å; W663-F667 HydrophobicContact CE3-CE2 3.62Å; W663-F667 AromaticContact CE3-CZ 3.87Å; W663-F667 HydrophobicContact CE3-CZ 3.87Å; W663-F667 HydrophobicContact CG-CE2 4.44Å; W663-F667 HydrophobicContact CZ3-CE2 4.41Å; W663-F667 HydrophobicContact CZ3-CZ 4.22Å; W663-F667 WeakPolarHBondContact O-CB 2.92Å; W663-F667 WeakPolarHBondContact O-CD2 3.41Å; W663-F667 WeakPolarHBondContact O-CG 3.33Å; W663-F667 PolarHBondContact O-N 3.5Å; K664-F667 PolarHBondContact O-N 2.75Å; W665-F667 PolarHBondContact O-N 3.2Å; F667-L675 HydrophobicContact CD1-CB 4.47Å; F667-L675 HydrophobicContact CD1-CD1 4.06Å; F667-L675 HydrophobicContact CE1-CD1 3.98Å; F667-F718 HydrophobicContact CE2-CE2 4.3Å; F667-F718 AromaticContact CE2-CZ 3.97Å; F667-F718 HydrophobicContact CE2-CZ 3.97Å; F667-F718 AromaticContact CZ-CE2 3.7Å; F667-F718 HydrophobicContact CZ-CE2 3.7Å; F667-F718 AromaticContact CZ-CZ 3.83Å; F667-F718 HydrophobicContact CZ-CZ 3.83Å
668	Q	83.4	Confident	79.9	Confident	81 Å²	81	45.6 Å²	45.6	38%	0.379	21%	0.213	S	C	.	.	H	α-helix	trans	-116.8	-32.4	-179.9	-60.7	-170.9	-13.2	0	0	114.3	A654 K664	A654-Q668 PolarHBondContact O-NE2 2.78Å; K664-Q668 HydrophobicContact CG-CG 4.16Å; K664-Q668 WeakPolarHBondContact O-CB 3.26Å; K664-Q668 VanDerWaalsContact O-CG 3.31Å; K664-Q668 WeakPolarHBondContact O-CG 3.41Å; K664-Q668 PolarHBondContact O-N 3.28Å
669	D	81.7	Confident	80.8	Confident	27 Å²	27	41.9 Å²	41.9	14%	0.144	20%	0.195	C	C	.	.			trans	-91.7	109.3	-173.5	-166.6	-16	0	0	0	111.6	W665 R671 A672 S673	W665-D669 PolarHBondContact NE1-OD2 2.87Å; W665-D669 VanDerWaalsContact O-CB 3.27Å; W665-D669 WeakPolarHBondContact O-CB 3.11Å; W665-D669 PolarHBondContact O-N 2.95Å; D669-R671 PolarHBondContact O-N 2.85Å; D669-R671 WeakPolarHBondContact OD1-CB 3.47Å; D669-R671 WeakPolarHBondContact OD1-CG 3.46Å; D669-R671 IonicContact OD1-CZ 2.9Å; D669-R671 PolarHBondContact OD1-N 3.44Å; D669-R671 IonicContact OD1-NE 3.69Å; D669-R671 PolarHBondContact OD1-NE 2.97Å; D669-R671 IonicContact OD1-NH2 3.53Å; D669-R671 IonicContact OD2-CZ 2.61Å; D669-R671 IonicContact OD2-NE 2.72Å; D669-R671 PolarHBondContact OD2-NE 3.16Å; D669-R671 IonicContact OD2-NH2 3.13Å; D669-R671 PolarHBondContact OD2-NH2 2.77Å; D669-A672 HydrophobicContact CB-CB 3.97Å; D669-A672 WeakPolarHBondContact O-CB 3.27Å; D669-A672 PolarHBondContact O-N 3.32Å; D669-S673 PolarHBondContact O-N 3.27Å
670	T	82.2	Confident	81.4	Confident	65 Å²	65	44.1 Å²	44.1	40%	0.399	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-11.2	176	51.2	0	0	0	0	113.8	P676 E677 K696	T670-P676 HydrophobicContact CG2-CB 3.9Å; T670-P676 HydrophobicContact CG2-CG 4.39Å; T670-E677 WeakPolarHBondContact CB-OE1 3.06Å; T670-E677 HydrophobicContact CG2-CG 4.12Å; T670-K696 WeakPolarHBondContact O-CD 3.39Å; T670-K696 WeakPolarHBondContact O-CE 3.46Å; T670-K696 PolarHBondContact O-NZ 3.45Å
671	R	74.6	Confident	82.1	Confident	165 Å²	165	43.3 Å²	43.3	62%	0.623	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-22.4	172.8	-51.9	168.3	-63.1	170.9	6.9	112.2	D669	D669-R671 PolarHBondContact O-N 2.85Å; D669-R671 WeakPolarHBondContact OD1-CB 3.47Å; D669-R671 WeakPolarHBondContact OD1-CG 3.46Å; D669-R671 IonicContact OD1-CZ 2.9Å; D669-R671 PolarHBondContact OD1-N 3.44Å; D669-R671 IonicContact OD1-NE 3.69Å; D669-R671 PolarHBondContact OD1-NE 2.97Å; D669-R671 IonicContact OD1-NH2 3.53Å; D669-R671 IonicContact OD2-CZ 2.61Å; D669-R671 IonicContact OD2-NE 2.72Å; D669-R671 PolarHBondContact OD2-NE 3.16Å; D669-R671 IonicContact OD2-NH2 3.13Å; D669-R671 PolarHBondContact OD2-NH2 2.77Å
672	A	75	Confident	82.8	Confident	6 Å²	6	40.1 Å²	40.1	5%	0.05	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-48.8	179.3	0	0	0	0	0	111.6	W665 D669 I695 K696	W665-A672 HydrophobicContact CD2-CB 3.88Å; W665-A672 VanDerWaalsContact CE2-CB 3.46Å; W665-A672 HydrophobicContact CG-CB 4.2Å; W665-A672 HydrophobicContact CH2-CB 4.42Å; W665-A672 HydrophobicContact CZ2-CB 3.76Å; D669-A672 HydrophobicContact CB-CB 3.97Å; D669-A672 WeakPolarHBondContact O-CB 3.27Å; D669-A672 PolarHBondContact O-N 3.32Å; A672-I695 WeakPolarHBondContact O-CA 3.09Å; A672-K696 PolarHBondContact O-N 3.23Å
673	S	84	Confident	83.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-144.7	169.5	-177.5	87.6	0	0	0	0	113	I666 D669 L675 P676 L694 K696	I666-S673 PolarHBondContact O-OG 3.13Å; D669-S673 PolarHBondContact O-N 3.27Å; S673-L675 VanDerWaalsContact C-N 3.33Å; S673-L675 WeakPolarHBondContact OG-CB 3.43Å; S673-L675 PolarHBondContact OG-N 3.34Å; S673-P676 WeakPolarHBondContact O-CD 3.08Å; S673-P676 WeakPolarHBondContact OG-CD 3.22Å; S673-L694 CarbonylContact C-O 2.95Å; S673-L694 WeakPolarHBondContact CA-O 3.44Å; S673-L694 VanDerWaalsContact CB-O 3.3Å; S673-L694 WeakPolarHBondContact CB-O 3.23Å; S673-K696 WeakPolarHBondContact O-CE 3.32Å
674	A	83.4	Confident	83.5	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.008	21%	0.213	C	C	.	.	S	Bend	trans	-79.6	-9.7	169.8	0	0	0	0	0	113.4	Y594 E677 L678 L694	Y594-A674 HydrophobicContact CD2-CB 4.16Å; Y594-A674 HydrophobicContact CE2-CB 3.66Å; A674-E677 PolarHBondContact O-N 3.11Å; A674-E677 VanDerWaalsContact O-N 3.15Å; A674-L678 VanDerWaalsContact O-CB 3.29Å; A674-L678 WeakPolarHBondContact O-CB 3.41Å; A674-L678 PolarHBondContact O-N 2.99Å; A674-L694 HydrophobicContact CB-CD2 4.5Å; A674-L694 PolarHBondContact N-O 3.04Å
675	L	88.2	Confident	83.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.6	-40.3	-176.2	-70.2	161	0	0	0	114.4	I666 F667 S673 E677 L678 F679 L689 I691 L694	I666-L675 HydrophobicContact CG2-CD1 3.61Å; F667-L675 HydrophobicContact CD1-CB 4.47Å; F667-L675 HydrophobicContact CD1-CD1 4.06Å; F667-L675 HydrophobicContact CE1-CD1 3.98Å; S673-L675 VanDerWaalsContact C-N 3.33Å; S673-L675 WeakPolarHBondContact OG-CB 3.43Å; S673-L675 PolarHBondContact OG-N 3.34Å; L675-E677 VanDerWaalsContact C-N 3.28Å; L675-E677 PolarHBondContact O-N 2.96Å; L675-L678 HydrophobicContact CD2-CD2 4.49Å; L675-L678 PolarHBondContact O-N 3.11Å; L675-F679 HydrophobicContact CD2-CD2 4.05Å; L675-F679 HydrophobicContact CD2-CE2 3.75Å; L675-F679 PolarHBondContact O-N 3Å; L675-L689 HydrophobicContact CD2-CD1 4.42Å; L675-I691 HydrophobicContact CD1-CD1 4.34Å; L675-I691 HydrophobicContact CD1-CG1 4.33Å; L675-I691 HydrophobicContact CD1-CG2 4.06Å; L675-L694 HydrophobicContact CD2-CD1 3.64Å; L675-L694 HydrophobicContact CG-CD1 4.01Å
676	P	86.6	Confident	84.3	Confident	20 Å²	20	38.4 Å²	38.4	13%	0.13	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-30.2	177.5	-17.4	30	0	0	0	113.2	T670 S673 S680	T670-P676 HydrophobicContact CG2-CB 3.9Å; T670-P676 HydrophobicContact CG2-CG 4.39Å; S673-P676 WeakPolarHBondContact O-CD 3.08Å; S673-P676 WeakPolarHBondContact OG-CD 3.22Å; P676-S680 PolarHBondContact O-N 2.82Å
677	E	83.9	Confident	84.6	Confident	81 Å²	81	38.6 Å²	38.6	38%	0.379	20%	0.197	S	C	.	.	H	α-helix	trans	-77.7	-45.4	175.5	-73	153.4	-164.5	0	0	110.7	T670 A674 L675 F679 S680 K696	T670-E677 WeakPolarHBondContact CB-OE1 3.06Å; T670-E677 HydrophobicContact CG2-CG 4.12Å; A674-E677 PolarHBondContact O-N 3.11Å; A674-E677 VanDerWaalsContact O-N 3.15Å; L675-E677 VanDerWaalsContact C-N 3.28Å; L675-E677 PolarHBondContact O-N 2.96Å; E677-F679 VanDerWaalsContact C-N 3.31Å; E677-F679 PolarHBondContact O-N 2.83Å; E677-S680 VanDerWaalsContact O-CB 3.26Å; E677-S680 WeakPolarHBondContact O-CB 3.4Å; E677-S680 PolarHBondContact O-N 3.4Å; E677-S680 PolarHBondContact O-OG 3.02Å; E677-K696 IonicContact OE1-NZ 2.69Å; E677-K696 PolarHBondContact OE1-NZ 3.44Å; E677-K696 IonicContact OE2-NZ 2.67Å; E677-K696 PolarHBondContact OE2-NZ 3.3Å
678	L	85.1	Confident	84.8	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-34.2	179.7	-173.3	57.9	0	0	0	113.2	S593 I595 R606 A674 L675 M683 L694	S593-L678 VanDerWaalsContact OG-CD1 3.25Å; S593-L678 WeakPolarHBondContact OG-CD1 3.3Å; I595-L678 HydrophobicContact CD1-CD1 4.26Å; I595-L678 HydrophobicContact CD1-CD2 3.9Å; I595-L678 HydrophobicContact CD1-CG 4.32Å; I595-L678 HydrophobicContact CG1-CD1 4.33Å; I595-L678 HydrophobicContact CG1-CD2 4.24Å; R606-L678 PolarHBondContact NH2-O 2.82Å; A674-L678 VanDerWaalsContact O-CB 3.29Å; A674-L678 WeakPolarHBondContact O-CB 3.41Å; A674-L678 PolarHBondContact O-N 2.99Å; L675-L678 HydrophobicContact CD2-CD2 4.49Å; L675-L678 PolarHBondContact O-N 3.11Å; L678-M683 HydrophobicContact CG-CE 4.38Å; L678-L694 HydrophobicContact CD2-CD1 4.2Å; L678-L694 HydrophobicContact CD2-CD2 4.45Å
679	F	87.7	Confident	85.1	Confident	5 Å²	5	35 Å²	35	2%	0.022	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	26.7	176.5	-66.5	-88.6	0	0	0	113.5	W647 M651 R655 L675 E677 M683 H685 L689	W647-F679 HydrophobicContact CB-CD1 4.2Å; W647-F679 HydrophobicContact CB-CE1 3.32Å; W647-F679 HydrophobicContact CB-CE2 4.1Å; W647-F679 HydrophobicContact CB-CZ 3.26Å; W647-F679 HydrophobicContact CG-CE1 4.32Å; W647-F679 AromaticContact CG-CZ 3.83Å; W647-F679 HydrophobicContact CG-CZ 3.83Å; M651-F679 HydrophobicContact CE-CB 4.05Å; M651-F679 HydrophobicContact CG-CB 3.64Å; M651-F679 HydrophobicContact CG-CD1 4.43Å; M651-F679 HydrophobicContact CG-CD2 4.44Å; M651-F679 HydrophobicContact CG-CG 3.95Å; M651-F679 HydrophobicContact SD-CB 4.22Å; R655-F679 PolarHBondContact NH2-O 3.35Å; R655-F679 VanDerWaalsContact NH2-O 3.09Å; L675-F679 HydrophobicContact CD2-CD2 4.05Å; L675-F679 HydrophobicContact CD2-CE2 3.75Å; L675-F679 PolarHBondContact O-N 3Å; E677-F679 VanDerWaalsContact C-N 3.31Å; E677-F679 PolarHBondContact O-N 2.83Å; F679-M683 HydrophobicContact CD1-CB 4.17Å; F679-M683 HydrophobicContact CD1-CE 3.75Å; F679-M683 HydrophobicContact CD2-CE 4.45Å; F679-M683 HydrophobicContact CE1-CB 4.2Å; F679-M683 HydrophobicContact CE1-CE 3.15Å; F679-M683 HydrophobicContact CE2-CE 3.95Å; F679-M683 HydrophobicContact CG-CE 4.36Å; F679-M683 HydrophobicContact CZ-CE 3.26Å; F679-H685 HydrophobicContact CE1-CB 4.37Å; F679-L689 HydrophobicContact CE2-CD1 4.2Å; F679-L689 HydrophobicContact CZ-CD1 4.21Å
680	S	83.9	Confident	85.4	Confident	75 Å²	75	33.8 Å²	33.8	52%	0.524	17%	0.174	S	C	.	.	S	Bend	trans	-60.8	-50.5	170.5	54.8	0	0	0	0	111.4	P676 E677	P676-S680 PolarHBondContact O-N 2.82Å; E677-S680 VanDerWaalsContact O-CB 3.26Å; E677-S680 WeakPolarHBondContact O-CB 3.4Å; E677-S680 PolarHBondContact O-N 3.4Å; E677-S680 PolarHBondContact O-OG 3.02Å
681	K	83.7	Confident	85.6	Confident	63 Å²	63	30.8 Å²	30.8	27%	0.274	16%	0.155	S	C	.	.	S	Bend	trans	-85.3	143.3	167.4	-57.4	177.2	-175.3	-179.9	0	110.4	D589 Y600 R606 M683	D589-K681 IonicContact OD1-NZ 3.7Å; D589-K681 PolarHBondContact OD1-NZ 3.37Å; D589-K681 IonicContact OD2-NZ 2.61Å; D589-K681 PolarHBondContact OD2-NZ 3.33Å; Y600-K681 WeakPolarHBondContact OH-CD 3.48Å; Y600-K681 WeakPolarHBondContact OH-CE 3.28Å; Y600-K681 PolarHBondContact OH-NZ 3.01Å; R606-K681 HydrophobicContact CG-CB 4.48Å; K681-M683 PolarHBondContact O-N 3.48Å
682	P	83.9	Confident	85.9	Confident	71 Å²	71	22.9 Å²	22.9	46%	0.461	13%	0.125	S	C	.	.			trans	-54.7	119.7	172.5	-25.6	33.7	0	0	0	112.6	N604 T605 R606	N604-P682 WeakPolarHBondContact O-CD 3.45Å; T605-P682 WeakPolarHBondContact CA-O 3.48Å; R606-P682 WeakPolarHBondContact CG-O 3.38Å; R606-P682 PolarHBondContact N-O 3.27Å
683	M	86.7	Confident	85.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-116.7	136.6	176.7	178.4	171.7	49.9	0	0	111.4	I595 M598 R606 P608 S648 L678 F679 K681 H685	I595-M683 HydrophobicContact CD1-CE 3.88Å; M598-M683 HydrophobicContact CE-CB 4.48Å; M598-M683 HydrophobicContact CE-CG 3.81Å; M598-M683 HydrophobicContact CE-SD 3.21Å; M598-M683 WeakPolarHBondContact CE-SD 3.11Å; M598-M683 HydrophobicContact SD-SD 4.23Å; R606-M683 HydrophobicContact CG-CB 4.23Å; R606-M683 CarbonylContact O-C 3.56Å; R606-M683 VanDerWaalsContact O-CA 3.26Å; R606-M683 WeakPolarHBondContact O-CA 3.21Å; P608-M683 HydrophobicContact CG-SD 4.05Å; S648-M683 WeakPolarHBondContact CB-O 3.45Å; S648-M683 PolarHBondContact OG-O 3.2Å; L678-M683 HydrophobicContact CG-CE 4.38Å; F679-M683 HydrophobicContact CD1-CB 4.17Å; F679-M683 HydrophobicContact CD1-CE 3.75Å; F679-M683 HydrophobicContact CD2-CE 4.45Å; F679-M683 HydrophobicContact CE1-CB 4.2Å; F679-M683 HydrophobicContact CE1-CE 3.15Å; F679-M683 HydrophobicContact CE2-CE 3.95Å; F679-M683 HydrophobicContact CG-CE 4.36Å; F679-M683 HydrophobicContact CZ-CE 3.26Å; K681-M683 PolarHBondContact O-N 3.48Å; M683-H685 HydrophobicContact CE-CB 3.9Å; M683-H685 HydrophobicContact CG-CB 3.81Å; M683-H685 PolarHBondContact O-N 3.48Å; M683-H685 HydrophobicContact SD-CB 3.95Å
684	E	86.6	Confident	85.9	Confident	79 Å²	79	24.1 Å²	24.1	37%	0.369	13%	0.132	S	C	.	.			trans	-87	89.7	170	-160.6	179.5	128.5	0	0	110	R580 R583 I601 T605 R606	R580-E684 PolarHBondContact NH2-O 2.73Å; R583-E684 IonicContact CZ-OE1 3.34Å; R583-E684 IonicContact CZ-OE2 2.89Å; R583-E684 IonicContact NH1-OE1 2.63Å; R583-E684 PolarHBondContact NH1-OE1 3.09Å; R583-E684 IonicContact NH1-OE2 3.29Å; R583-E684 PolarHBondContact NH1-OE2 2.72Å; R583-E684 IonicContact NH2-OE1 3.19Å; R583-E684 PolarHBondContact NH2-OE1 2.95Å; R583-E684 IonicContact NH2-OE2 3.8Å; R583-E684 PolarHBondContact NH2-OE2 3.37Å; I601-E684 WeakPolarHBondContact CD1-OE2 3.05Å; T605-E684 HydrophobicContact CG2-CB 4.34Å; R606-E684 PolarHBondContact O-N 2.63Å
685	H	88.4	Confident	85.6	Confident	6 Å²	6	24.6 Å²	24.6	3%	0.028	13%	0.134	C	C	.	.			trans	-142.6	121.3	-177.6	-170.2	88.7	0	0	0	109.9	R580 S646 W647 F679 M683 Q687 L689	R580-H685 PolarHBondContact NH1-ND1 2.71Å; R580-H685 PolarHBondContact NH2-ND1 3.16Å; S646-H685 CarbonylContact C-O 2.88Å; S646-H685 WeakPolarHBondContact CA-O 3.09Å; S646-H685 PolarHBondContact OG-O 3.02Å; W647-H685 AromaticContact CD1-CD2 3.5Å; W647-H685 VanDerWaalsContact CD1-O 3.3Å; W647-H685 PolarHBondContact N-O 3.17Å; W647-H685 AromaticContact NE1-CD2 3.93Å; F679-H685 HydrophobicContact CE1-CB 4.37Å; M683-H685 HydrophobicContact CE-CB 3.9Å; M683-H685 HydrophobicContact CG-CB 3.81Å; M683-H685 PolarHBondContact O-N 3.48Å; M683-H685 HydrophobicContact SD-CB 3.95Å; H685-Q687 PolarHBondContact ND1-OE1 3.32Å; H685-L689 WeakPolarHBondContact NE2-CD2 3.35Å
686	N	90.2	Very high	84.9	Confident	50 Å²	50	28 Å²	28	27%	0.267	15%	0.149	S	C	.	.			trans	-132.1	13	-179.6	65.1	-32.8	0	0	0	112.3	N636 C644	N636-N686 VanDerWaalsContact CB-O 3.28Å; N636-N686 WeakPolarHBondContact CB-O 2.89Å; N636-N686 PolarHBondContact ND2-ND2 3.2Å; C644-N686 WeakPolarHBondContact CB-O 3.31Å
687	Q	89.5	Confident	83.9	Confident	5 Å²	5	30.3 Å²	30.3	2%	0.023	16%	0.16	C	C	.	.	S	Bend	trans	-77.8	165.2	175.6	-72.5	66.7	41.2	0	0	110.2	Y611 G633 K635 W647 H685	Y611-Q687 HydrophobicContact CE1-CG 3.71Å; Y611-Q687 PolarHBondContact OH-NE2 2.66Å; Y611-Q687 VanDerWaalsContact OH-NE2 3.13Å; G633-Q687 WeakPolarHBondContact O-CG 3.38Å; K635-Q687 CarbonylContact O-C 3.53Å; K635-Q687 VanDerWaalsContact O-CA 3.27Å; K635-Q687 WeakPolarHBondContact O-CA 3.39Å; K635-Q687 WeakPolarHBondContact O-CB 3.28Å; W647-Q687 PolarHBondContact NE1-O 3.22Å; H685-Q687 PolarHBondContact ND1-OE1 3.32Å
688	C	91.8	Very high	82.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.			trans	-65.1	143.7	172.8	-50.1	0	0	0	0	110.5	Y631 K635 P715 I716 C730	Y631-C688 HydrophobicContact CD1-CB 4.18Å; Y631-C688 WeakPolarHBondContact CD1-O 3.42Å; Y631-C688 HydrophobicContact CE1-CB 4.27Å; K635-C688 PolarHBondContact O-N 3.35Å; K635-C688 PolarHBondContact O-SG 3.4Å; C688-P715 HydrophobicContact CB-CB 4.07Å; C688-I716 CarbonylContact C-O 3.59Å; C688-I716 VanDerWaalsContact CA-O 3.23Å; C688-I716 WeakPolarHBondContact CA-O 3.48Å; C688-C730 HydrophobicContact CB-CB 3.6Å; C688-C730 WeakPolarHBondContact CB-SG 3.25Å; C688-C730 WeakPolarHBondContact SG-CB 3.3Å; C688-C730 CovalentContact SG-SG 2.01Å; C688-C730 PolarHBondContact SG-SG 3.38Å
689	L	90.5	Very high	81.2	Confident	9 Å²	9	31 Å²	31	5%	0.047	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-127	139.7	173	-73.1	176.8	0	0	0	109.4	I595 W647 L675 F679 H685 I691 P715 I716	I595-L689 HydrophobicContact CD1-CD1 4.41Å; I595-L689 HydrophobicContact CD1-CD2 3.92Å; I595-L689 HydrophobicContact CG1-CD2 4.37Å; W647-L689 HydrophobicContact CD2-CD1 4.02Å; W647-L689 HydrophobicContact CG-CD1 4.33Å; W647-L689 HydrophobicContact CH2-CB 4.26Å; W647-L689 HydrophobicContact CZ2-CB 3.75Å; W647-L689 HydrophobicContact CZ2-CD1 4.16Å; W647-L689 HydrophobicContact CZ2-CG 4.12Å; L675-L689 HydrophobicContact CD2-CD1 4.42Å; F679-L689 HydrophobicContact CE2-CD1 4.2Å; F679-L689 HydrophobicContact CZ-CD1 4.21Å; H685-L689 WeakPolarHBondContact NE2-CD2 3.35Å; L689-I691 PolarHBondContact O-N 2.84Å; L689-P715 WeakPolarHBondContact O-CA 3.36Å; L689-I716 PolarHBondContact N-O 2.93Å; L689-I716 PolarHBondContact O-N 2.77Å
690	N	87.6	Confident	79.4	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	19%	0.188	C	C	.	.			trans	-79.5	97.8	165.2	-164	-11	0	0	0	108.2	M626 I629 L692 T693 P715	M626-N690 PolarHBondContact O-ND2 3.43Å; I629-N690 PolarHBondContact O-ND2 3.1Å; N690-L692 PolarHBondContact O-N 3.15Å; N690-L692 WeakPolarHBondContact OD1-CB 3.37Å; N690-L692 PolarHBondContact OD1-N 3.1Å; N690-T693 HydrophobicContact CB-CG2 4.47Å; N690-T693 PolarHBondContact O-OG1 3.28Å; N690-T693 VanDerWaalsContact O-OG1 3.05Å; N690-P715 HydrophobicContact CB-CG 4.3Å
691	I	86.8	Confident	78.2	Confident	1 Å²	1	30 Å²	30	1%	0.005	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.3	179.8	-65.7	-173	0	0	0	110.9	W647 W663 I666 L675 L689 T693 L694 I695 I711 I716 F718	W647-I691 HydrophobicContact CH2-CD1 3.71Å; W647-I691 HydrophobicContact CH2-CG1 4.01Å; W647-I691 HydrophobicContact CZ3-CD1 3.75Å; W647-I691 HydrophobicContact CZ3-CG1 4.31Å; W663-I691 HydrophobicContact CH2-CD1 3.84Å; W663-I691 HydrophobicContact CZ3-CD1 3.46Å; W663-I691 VanDerWaalsContact CZ3-CD1 3.46Å; I666-I691 HydrophobicContact CG2-CG2 4.03Å; L675-I691 HydrophobicContact CD1-CD1 4.34Å; L675-I691 HydrophobicContact CD1-CG1 4.33Å; L675-I691 HydrophobicContact CD1-CG2 4.06Å; L689-I691 PolarHBondContact O-N 2.84Å; I691-T693 VanDerWaalsContact C-N 3.31Å; I691-T693 PolarHBondContact O-N 2.57Å; I691-L694 PolarHBondContact O-N 2.85Å; I691-I695 HydrophobicContact CG2-CD1 4.27Å; I691-I695 HydrophobicContact CG2-CG1 4.4Å; I691-I695 WeakPolarHBondContact O-CG1 3.19Å; I691-I695 PolarHBondContact O-N 3.26Å; I691-I711 HydrophobicContact CB-CG2 4.48Å; I691-I716 HydrophobicContact CD1-CD1 3.75Å; I691-I716 HydrophobicContact CD1-CG1 4.17Å; I691-I716 HydrophobicContact CG1-CD1 4.29Å; I691-I716 HydrophobicContact CG1-CG1 4.29Å; I691-F718 HydrophobicContact CD1-CE2 4.49Å
692	L	79.9	Confident	76.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61.8	-37.5	-175.3	-171.5	53.9	0	0	0	112.4	L627 N690 L694 I695 Q698 Y701 I711 L712	L627-L692 HydrophobicContact CB-CD2 4.41Å; L627-L692 HydrophobicContact CD2-CD2 3.81Å; N690-L692 PolarHBondContact O-N 3.15Å; N690-L692 WeakPolarHBondContact OD1-CB 3.37Å; N690-L692 PolarHBondContact OD1-N 3.1Å; L692-L694 VanDerWaalsContact C-N 3.27Å; L692-L694 PolarHBondContact O-N 3.32Å; L692-I695 HydrophobicContact CD1-CD1 4.29Å; L692-I695 PolarHBondContact O-N 3.34Å; L692-Q698 HydrophobicContact CD1-CG 4.44Å; L692-Q698 PolarHBondContact O-NE2 3.49Å; L692-Y701 HydrophobicContact CD1-CD1 4.45Å; L692-I711 HydrophobicContact CB-CG2 3.89Å; L692-I711 HydrophobicContact CD1-CG2 4.29Å; L692-L712 HydrophobicContact CD2-CD2 4.22Å
693	T	76.3	Confident	74.9	Confident	19 Å²	19	34.7 Å²	34.7	12%	0.117	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-72.4	-19.3	176.3	59.9	0	0	0	0	113.3	E630 N690 I691	E630-T693 HydrophobicContact CG-CG2 4.18Å; N690-T693 HydrophobicContact CB-CG2 4.47Å; N690-T693 PolarHBondContact O-OG1 3.28Å; N690-T693 VanDerWaalsContact O-OG1 3.05Å; I691-T693 VanDerWaalsContact C-N 3.31Å; I691-T693 PolarHBondContact O-N 2.57Å
694	L	82	Confident	73.2	Confident	12 Å²	12	37.4 Å²	37.4	6%	0.063	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-88.5	-3.4	178.3	-59.9	175.5	0	0	0	113.3	Y594 S673 A674 L675 L678 I691 L692	Y594-L694 HydrophobicContact CD1-CD2 4.32Å; Y594-L694 HydrophobicContact CG-CD2 4.28Å; S673-L694 CarbonylContact C-O 2.95Å; S673-L694 WeakPolarHBondContact CA-O 3.44Å; S673-L694 VanDerWaalsContact CB-O 3.3Å; S673-L694 WeakPolarHBondContact CB-O 3.23Å; A674-L694 HydrophobicContact CB-CD2 4.5Å; A674-L694 PolarHBondContact N-O 3.04Å; L675-L694 HydrophobicContact CD2-CD1 3.64Å; L675-L694 HydrophobicContact CG-CD1 4.01Å; L678-L694 HydrophobicContact CD2-CD1 4.2Å; L678-L694 HydrophobicContact CD2-CD2 4.45Å; I691-L694 PolarHBondContact O-N 2.85Å; L692-L694 VanDerWaalsContact C-N 3.27Å; L692-L694 PolarHBondContact O-N 3.32Å
695	I	79.1	Confident	71	Confident	11 Å²	11	38 Å²	38	6%	0.056	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-84.1	125	-179.9	-69.6	168.9	0	0	0	110.3	A672 I691 L692 D697 Q698 Y701	A672-I695 WeakPolarHBondContact O-CA 3.09Å; I691-I695 HydrophobicContact CG2-CD1 4.27Å; I691-I695 HydrophobicContact CG2-CG1 4.4Å; I691-I695 WeakPolarHBondContact O-CG1 3.19Å; I691-I695 PolarHBondContact O-N 3.26Å; L692-I695 HydrophobicContact CD1-CD1 4.29Å; L692-I695 PolarHBondContact O-N 3.34Å; I695-D697 VanDerWaalsContact C-N 3.3Å; I695-D697 PolarHBondContact O-N 2.04Å; I695-Q698 HydrophobicContact CB-CG 4.41Å; I695-Y701 HydrophobicContact CD1-CD1 3.86Å; I695-Y701 HydrophobicContact CD1-CD2 3.78Å; I695-Y701 HydrophobicContact CD1-CE1 3.81Å; I695-Y701 HydrophobicContact CD1-CE2 3.72Å; I695-Y701 HydrophobicContact CD1-CG 3.85Å; I695-Y701 HydrophobicContact CG2-CD2 4Å; I695-Y701 HydrophobicContact CG2-CG 4.02Å
696	K	71.8	Confident	69.2	Low	71 Å²	71	39.5 Å²	39.5	31%	0.309	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.2	-170	-68.3	-176.4	-179.3	178.9	0	115	T670 A672 S673 E677	T670-K696 WeakPolarHBondContact O-CD 3.39Å; T670-K696 WeakPolarHBondContact O-CE 3.46Å; T670-K696 PolarHBondContact O-NZ 3.45Å; A672-K696 PolarHBondContact O-N 3.23Å; S673-K696 WeakPolarHBondContact O-CE 3.32Å; E677-K696 IonicContact OE1-NZ 2.69Å; E677-K696 PolarHBondContact OE1-NZ 3.44Å; E677-K696 IonicContact OE2-NZ 2.67Å; E677-K696 PolarHBondContact OE2-NZ 3.3Å
697	D	66.4	Low	67.6	Low	70 Å²	70	37.6 Å²	37.6	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-146.3	78.8	168.5	-175.5	-6.5	0	0	0	109.6	I695 A699 S700 Y701	I695-D697 VanDerWaalsContact C-N 3.3Å; I695-D697 PolarHBondContact O-N 2.04Å; D697-A699 PolarHBondContact O-N 2.88Å; D697-A699 PolarHBondContact OD1-N 3.05Å; D697-S700 VanDerWaalsContact CG-CB 3.43Å; D697-S700 VanDerWaalsContact CG-OG 3.25Å; D697-S700 PolarHBondContact O-N 2.89Å; D697-S700 PolarHBondContact OD1-N 2.98Å; D697-S700 PolarHBondContact OD1-OG 3.42Å; D697-S700 WeakPolarHBondContact OD2-CB 3.07Å; D697-S700 PolarHBondContact OD2-OG 3.4Å; D697-Y701 WeakPolarHBondContact O-CB 3.5Å; D697-Y701 PolarHBondContact O-N 2.02Å
698	Q	61.7	Low	66.4	Low	58 Å²	58	39.5 Å²	39.5	27%	0.271	22%	0.215	S	C	.	.	H	α-helix	trans	-55.9	-37.8	175.8	-65.2	177	-31.7	0	0	111.9	L692 I695 S700 Y701 Y702	L692-Q698 HydrophobicContact CD1-CG 4.44Å; L692-Q698 PolarHBondContact O-NE2 3.49Å; I695-Q698 HydrophobicContact CB-CG 4.41Å; Q698-S700 PolarHBondContact O-N 2.78Å; Q698-Y701 VanDerWaalsContact O-CB 3.3Å; Q698-Y701 WeakPolarHBondContact O-CB 3.45Å; Q698-Y701 PolarHBondContact O-N 3.31Å; Q698-Y701 VanDerWaalsContact O-N 3.09Å; Q698-Y702 HydrophobicContact CB-CE2 4.43Å; Q698-Y702 WeakPolarHBondContact O-CD2 3.32Å; Q698-Y702 WeakPolarHBondContact O-CE2 3.01Å; Q698-Y702 PolarHBondContact O-N 3.38Å
699	A	50.4	Low	65	Low	42 Å²	42	40.9 Å²	40.9	35%	0.347	22%	0.224	S	C	.	.	H	α-helix	trans	-70.2	-29.1	-175.4	0	0	0	0	0	113.5	D697 K703	D697-A699 PolarHBondContact O-N 2.88Å; D697-A699 PolarHBondContact OD1-N 3.05Å; A699-K703 WeakPolarHBondContact O-CE 2.97Å; A699-K703 PolarHBondContact O-NZ 3.48Å
700	S	50.1	Low	64.1	Low	57 Å²	57	41.5 Å²	41.5	40%	0.399	23%	0.227	S	C	.	.	H	α-helix	trans	-84.6	-27.3	167.2	-61	0	0	0	0	112.4	D697 Q698 Y702 K703	D697-S700 VanDerWaalsContact CG-CB 3.43Å; D697-S700 VanDerWaalsContact CG-OG 3.25Å; D697-S700 PolarHBondContact O-N 2.89Å; D697-S700 PolarHBondContact OD1-N 2.98Å; D697-S700 PolarHBondContact OD1-OG 3.42Å; D697-S700 WeakPolarHBondContact OD2-CB 3.07Å; D697-S700 PolarHBondContact OD2-OG 3.4Å; Q698-S700 PolarHBondContact O-N 2.78Å; S700-Y702 PolarHBondContact O-N 3.19Å; S700-K703 WeakPolarHBondContact O-CB 3.19Å; S700-K703 PolarHBondContact O-N 3.41Å
701	Y	58.5	Low	63.3	Low	3 Å²	3	41.5 Å²	41.5	1%	0.012	23%	0.227	C	C	.	.	H	α-helix	trans	-56.6	-47.4	-179.8	-171.1	-103.3	0	0	0	112.7	Q662 W665 I666 L692 I695 D697 Q698 K703 F704 I707 I711	Q662-Y701 PolarHBondContact NE2-OH 3.46Å; W665-Y701 HydrophobicContact CE3-CE2 4.43Å; W665-Y701 HydrophobicContact CH2-CD2 4.16Å; W665-Y701 AromaticContact CZ3-CD2 3.71Å; W665-Y701 HydrophobicContact CZ3-CD2 3.71Å; W665-Y701 AromaticContact CZ3-CE2 3.76Å; W665-Y701 HydrophobicContact CZ3-CE2 3.76Å; I666-Y701 HydrophobicContact CD1-CE2 4.18Å; I666-Y701 WeakPolarHBondContact CD1-OH 3.08Å; I666-Y701 HydrophobicContact CG1-CE2 4.34Å; L692-Y701 HydrophobicContact CD1-CD1 4.45Å; I695-Y701 HydrophobicContact CD1-CD1 3.86Å; I695-Y701 HydrophobicContact CD1-CD2 3.78Å; I695-Y701 HydrophobicContact CD1-CE1 3.81Å; I695-Y701 HydrophobicContact CD1-CE2 3.72Å; I695-Y701 HydrophobicContact CD1-CG 3.85Å; I695-Y701 HydrophobicContact CG2-CD2 4Å; I695-Y701 HydrophobicContact CG2-CG 4.02Å; D697-Y701 WeakPolarHBondContact O-CB 3.5Å; D697-Y701 PolarHBondContact O-N 2.02Å; Q698-Y701 VanDerWaalsContact O-CB 3.3Å; Q698-Y701 WeakPolarHBondContact O-CB 3.45Å; Q698-Y701 PolarHBondContact O-N 3.31Å; Q698-Y701 VanDerWaalsContact O-N 3.09Å; Y701-K703 PolarHBondContact O-N 2.91Å; Y701-F704 WeakPolarHBondContact O-CB 3.44Å; Y701-F704 PolarHBondContact O-N 3.25Å; Y701-I707 HydrophobicContact CE1-CB 4.43Å; Y701-I707 HydrophobicContact CE1-CG1 4.03Å; Y701-I707 HydrophobicContact CE1-CG2 3.53Å; Y701-I707 WeakPolarHBondContact O-CD1 3.46Å; Y701-I711 HydrophobicContact CE1-CD1 4.45Å; Y701-I711 WeakPolarHBondContact OH-CD1 3.35Å
702	Y	51.7	Low	62.5	Low	97 Å²	97	44.4 Å²	44.4	38%	0.38	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-13.4	176.9	-62.6	-72.4	0	0	0	114.9	Q698 S700 L712	Q698-Y702 HydrophobicContact CB-CE2 4.43Å; Q698-Y702 WeakPolarHBondContact O-CD2 3.32Å; Q698-Y702 WeakPolarHBondContact O-CE2 3.01Å; Q698-Y702 PolarHBondContact O-N 3.38Å; S700-Y702 PolarHBondContact O-N 3.19Å; Y702-L712 HydrophobicContact CD1-CD2 4.33Å; Y702-L712 HydrophobicContact CE1-CD2 3.69Å
703	K	47.2	Very low	62.1	Low	135 Å²	135	46 Å²	46	59%	0.587	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.6	-178.7	-54.9	172.5	-169.8	159.1	0	112.9	A699 S700 Y701 P705	A699-K703 WeakPolarHBondContact O-CE 2.97Å; A699-K703 PolarHBondContact O-NZ 3.48Å; S700-K703 WeakPolarHBondContact O-CB 3.19Å; S700-K703 PolarHBondContact O-N 3.41Å; Y701-K703 PolarHBondContact O-N 2.91Å; K703-P705 WeakPolarHBondContact O-CD 3.21Å
704	F	50.3	Low	62.4	Low	57 Å²	57	45 Å²	45	25%	0.25	24%	0.243	C	C	.	.	S	Bend	trans	-82.3	117.9	-174.9	-161.8	-77.9	0	0	0	111	W665 Y701 G706 I707	W665-F704 HydrophobicContact CD2-CE2 4.33Å; W665-F704 HydrophobicContact CE3-CD2 4.14Å; W665-F704 HydrophobicContact CE3-CE2 4Å; W665-F704 HydrophobicContact CE3-CZ 4.35Å; W665-F704 AromaticContact CH2-CD2 3.91Å; W665-F704 HydrophobicContact CH2-CD2 3.91Å; W665-F704 HydrophobicContact CH2-CE2 4.27Å; W665-F704 AromaticContact CZ3-CD2 3.64Å; W665-F704 HydrophobicContact CZ3-CD2 3.64Å; W665-F704 AromaticContact CZ3-CE2 3.97Å; W665-F704 HydrophobicContact CZ3-CE2 3.97Å; W665-F704 HydrophobicContact CZ3-CG 4.07Å; Y701-F704 WeakPolarHBondContact O-CB 3.44Å; Y701-F704 PolarHBondContact O-N 3.25Å; F704-G706 PolarHBondContact O-N 3.34Å; F704-I707 HydrophobicContact CB-CD1 4.18Å; F704-I707 HydrophobicContact CB-CG1 3.98Å; F704-I707 WeakPolarHBondContact O-CD1 2.99Å; F704-I707 WeakPolarHBondContact O-CG1 3.03Å
705	P	41.6	Very low	62.7	Low	91 Å²	91	44.5 Å²	44.5	59%	0.591	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	123.3	177.8	27	-33.1	0	0	0	110.4	K703	K703-P705 WeakPolarHBondContact O-CD 3.21Å
706	G	49.1	Very low	63.3	Low	38 Å²	38	44 Å²	44	39%	0.392	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	13.5	179.1	0	0	0	0	0	116.7	Q662 F704 D708 W782	Q662-G706 PolarHBondContact OE1-O 3.41Å; F704-G706 PolarHBondContact O-N 3.34Å; G706-D708 PolarHBondContact O-N 2.76Å; G706-D708 VanDerWaalsContact O-N 3.11Å; G706-W782 VanDerWaalsContact CA-CH2 3.43Å; G706-W782 VanDerWaalsContact CA-CZ3 3.5Å
707	I	57.5	Low	64.3	Low	11 Å²	11	40.7 Å²	40.7	6%	0.056	22%	0.223	C	C	.	.			trans	-53.1	105.2	161.6	-54.8	143.6	0	0	0	111.5	Y701 F704 P709 W782	Y701-I707 HydrophobicContact CE1-CB 4.43Å; Y701-I707 HydrophobicContact CE1-CG1 4.03Å; Y701-I707 HydrophobicContact CE1-CG2 3.53Å; Y701-I707 WeakPolarHBondContact O-CD1 3.46Å; F704-I707 HydrophobicContact CB-CD1 4.18Å; F704-I707 HydrophobicContact CB-CG1 3.98Å; F704-I707 WeakPolarHBondContact O-CD1 2.99Å; F704-I707 WeakPolarHBondContact O-CG1 3.03Å; I707-P709 VanDerWaalsContact O-CD 3.22Å; I707-P709 WeakPolarHBondContact O-CD 3.39Å; I707-W782 HydrophobicContact CB-CH2 3.99Å; I707-W782 WeakPolarHBondContact O-CH2 3.46Å; I707-W782 WeakPolarHBondContact O-CZ3 3.15Å
708	D	63.3	Low	65.5	Low	45 Å²	45	37.4 Å²	37.4	24%	0.241	21%	0.206	C	C	.	.			trans	-48.4	110.6	160.6	-174	-13.2	0	0	0	110.1	W663 G706 I710 I711 P727	W663-D708 HydrophobicContact CZ2-CB 4.36Å; W663-D708 PolarHBondContact NE1-OD2 2.77Å; G706-D708 PolarHBondContact O-N 2.76Å; G706-D708 VanDerWaalsContact O-N 3.11Å; D708-I710 HydrophobicContact CB-CG2 4.23Å; D708-I710 VanDerWaalsContact CG-CG2 3.44Å; D708-I710 PolarHBondContact O-N 3.36Å; D708-I710 VanDerWaalsContact OD1-CB 3.31Å; D708-I710 WeakPolarHBondContact OD1-CB 3.37Å; D708-I710 VanDerWaalsContact OD1-CG2 3.27Å; D708-I710 WeakPolarHBondContact OD1-CG2 3.28Å; D708-I710 PolarHBondContact OD1-N 2.88Å; D708-I711 PolarHBondContact O-N 3.44Å; D708-P727 WeakPolarHBondContact OD2-CG 3.49Å
709	P	63.5	Low	66.7	Low	28 Å²	28	34.7 Å²	34.7	18%	0.182	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-72.3	-0.4	-169.7	29.9	-35.8	0	0	0	112.8	I707 I711 L712 E783	I707-P709 VanDerWaalsContact O-CD 3.22Å; I707-P709 WeakPolarHBondContact O-CD 3.39Å; P709-I711 PolarHBondContact O-N 3.35Å; P709-L712 WeakPolarHBondContact O-CB 3.36Å; P709-L712 PolarHBondContact O-N 3.32Å; P709-E783 WeakPolarHBondContact CB-O 3.49Å; P709-E783 WeakPolarHBondContact CG-O 3.32Å
710	I	71.4	Confident	68.1	Low	23 Å²	23	37.3 Å²	37.3	12%	0.118	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-54.5	-31.1	172	-157.4	67.4	0	0	0	113	W663 D708 L712 K713 I716 P727 P729	W663-I710 HydrophobicContact CH2-CG2 4.46Å; W663-I710 HydrophobicContact CZ2-CG2 3.92Å; D708-I710 HydrophobicContact CB-CG2 4.23Å; D708-I710 VanDerWaalsContact CG-CG2 3.44Å; D708-I710 PolarHBondContact O-N 3.36Å; D708-I710 VanDerWaalsContact OD1-CB 3.31Å; D708-I710 WeakPolarHBondContact OD1-CB 3.37Å; D708-I710 VanDerWaalsContact OD1-CG2 3.27Å; D708-I710 WeakPolarHBondContact OD1-CG2 3.28Å; D708-I710 PolarHBondContact OD1-N 2.88Å; I710-L712 PolarHBondContact O-N 2.8Å; I710-K713 HydrophobicContact CD1-CD 4.47Å; I710-K713 WeakPolarHBondContact O-CB 3.4Å; I710-K713 PolarHBondContact O-N 3.16Å; I710-I716 HydrophobicContact CG1-CG2 4.19Å; I710-I716 HydrophobicContact CG2-CD1 4.28Å; I710-I716 WeakPolarHBondContact O-CG2 3.47Å; I710-P727 HydrophobicContact CB-CG 4.43Å; I710-P727 HydrophobicContact CG1-CB 4.17Å; I710-P727 HydrophobicContact CG1-CG 4.41Å; I710-P727 HydrophobicContact CG2-CB 3.74Å; I710-P727 HydrophobicContact CG2-CG 3.66Å; I710-P729 HydrophobicContact CD1-CG 4.24Å
711	I	71	Confident	68.8	Low	2 Å²	2	38 Å²	38	1%	0.01	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-66.7	-26.2	178.6	-66	164.5	0	0	0	111.4	W663 I666 I691 L692 Y701 D708 P709 K713 G714 I716	W663-I711 HydrophobicContact CH2-CD1 3.46Å; W663-I711 VanDerWaalsContact CH2-CD1 3.46Å; W663-I711 HydrophobicContact CH2-CG1 3.54Å; W663-I711 HydrophobicContact CZ2-CD1 4.04Å; W663-I711 HydrophobicContact CZ2-CG1 4.15Å; W663-I711 HydrophobicContact CZ3-CD1 3.94Å; W663-I711 HydrophobicContact CZ3-CG1 4.36Å; I666-I711 HydrophobicContact CD1-CD1 3.88Å; I691-I711 HydrophobicContact CB-CG2 4.48Å; L692-I711 HydrophobicContact CB-CG2 3.89Å; L692-I711 HydrophobicContact CD1-CG2 4.29Å; Y701-I711 HydrophobicContact CE1-CD1 4.45Å; Y701-I711 WeakPolarHBondContact OH-CD1 3.35Å; D708-I711 PolarHBondContact O-N 3.44Å; P709-I711 PolarHBondContact O-N 3.35Å; I711-K713 PolarHBondContact O-N 2.97Å; I711-G714 PolarHBondContact O-N 2.58Å; I711-I716 HydrophobicContact CG1-CD1 4.32Å
712	L	69	Low	69.1	Low	62 Å²	62	43.8 Å²	43.8	33%	0.325	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-77.4	-3.9	175.8	-51.2	-175.5	0	0	0	112.6	L692 Y702 P709 I710 G714	L692-L712 HydrophobicContact CD2-CD2 4.22Å; Y702-L712 HydrophobicContact CD1-CD2 4.33Å; Y702-L712 HydrophobicContact CE1-CD2 3.69Å; P709-L712 WeakPolarHBondContact O-CB 3.36Å; P709-L712 PolarHBondContact O-N 3.32Å; I710-L712 PolarHBondContact O-N 2.8Å; L712-G714 VanDerWaalsContact C-N 3.29Å
713	K	73.1	Confident	69.6	Low	33 Å²	33	43.5 Å²	43.5	14%	0.143	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-94.1	21	173.9	-51.9	-159.8	179.7	-163.5	0	112.8	I710 I711 P729 T756 F758	I710-K713 HydrophobicContact CD1-CD 4.47Å; I710-K713 WeakPolarHBondContact O-CB 3.4Å; I710-K713 PolarHBondContact O-N 3.16Å; I711-K713 PolarHBondContact O-N 2.97Å; K713-P729 HydrophobicContact CB-CB 4.1Å; K713-T756 PolarHBondContact NZ-O 3.29Å; K713-F758 HydrophobicContact CD-CZ 4.35Å
714	G	80.9	Confident	70.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	70.3	-135.2	175.5	0	0	0	0	0	113.3	M626 I711 L712 I716	M626-G714 VanDerWaalsContact O-CA 3.3Å; M626-G714 WeakPolarHBondContact O-CA 3.46Å; I711-G714 PolarHBondContact O-N 2.58Å; L712-G714 VanDerWaalsContact C-N 3.29Å; G714-I716 WeakPolarHBondContact O-CG2 3.37Å; G714-I716 PolarHBondContact O-N 3.37Å
715	P	90.1	Very high	71.4	Confident	1 Å²	1	41 Å²	41	1%	0.006	23%	0.226	C	C	.	.	S	Bend	trans	-64.6	119	-175.6	-20.5	32.2	0	0	0	113	I621 Y631 C688 L689 N690 C730 F731	I621-P715 HydrophobicContact CD1-CG 3.73Å; Y631-P715 HydrophobicContact CD2-CG 4.48Å; Y631-P715 HydrophobicContact CG-CB 4.16Å; Y631-P715 HydrophobicContact CG-CG 4.09Å; C688-P715 HydrophobicContact CB-CB 4.07Å; L689-P715 WeakPolarHBondContact O-CA 3.36Å; N690-P715 HydrophobicContact CB-CG 4.3Å; P715-C730 WeakPolarHBondContact O-CB 2.98Å; P715-C730 PolarHBondContact O-N 2.83Å; P715-F731 HydrophobicContact CB-CD2 3.9Å; P715-F731 HydrophobicContact CB-CE2 3.9Å; P715-F731 HydrophobicContact CG-CD2 4.01Å; P715-F731 HydrophobicContact CG-CE2 4.17Å
716	I	91.3	Very high	73	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	168.3	178.1	70.7	173.2	0	0	0	111.3	W647 W663 C688 L689 I691 I710 I711 G714 F718 P727 Q728	W647-I716 HydrophobicContact CH2-CG1 4.31Å; W647-I716 WeakPolarHBondContact CZ2-O 3.4Å; W663-I716 HydrophobicContact CH2-CD1 3.71Å; W663-I716 HydrophobicContact CZ2-CD1 4.39Å; C688-I716 CarbonylContact C-O 3.59Å; C688-I716 VanDerWaalsContact CA-O 3.23Å; C688-I716 WeakPolarHBondContact CA-O 3.48Å; L689-I716 PolarHBondContact N-O 2.93Å; L689-I716 PolarHBondContact O-N 2.77Å; I691-I716 HydrophobicContact CD1-CD1 3.75Å; I691-I716 HydrophobicContact CD1-CG1 4.17Å; I691-I716 HydrophobicContact CG1-CD1 4.29Å; I691-I716 HydrophobicContact CG1-CG1 4.29Å; I710-I716 HydrophobicContact CG1-CG2 4.19Å; I710-I716 HydrophobicContact CG2-CD1 4.28Å; I710-I716 WeakPolarHBondContact O-CG2 3.47Å; I711-I716 HydrophobicContact CG1-CD1 4.32Å; G714-I716 WeakPolarHBondContact O-CG2 3.37Å; G714-I716 PolarHBondContact O-N 3.37Å; I716-F718 HydrophobicContact CD1-CE2 4.41Å; I716-P727 HydrophobicContact CD1-CB 3.98Å; I716-Q728 CarbonylContact C-O 3.58Å; I716-Q728 VanDerWaalsContact CA-O 3.29Å; I716-Q728 WeakPolarHBondContact CA-O 3.5Å; I716-Q728 WeakPolarHBondContact CB-O 3.41Å
717	C	93.1	Very high	74.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	174.8	157.6	79	0	0	0	0	110.1	C644 W647 P727 Q728	C644-C717 VanDerWaalsContact CA-SG 3.59Å; C644-C717 HydrophobicContact CB-CB 3.59Å; C644-C717 WeakPolarHBondContact CB-SG 3.28Å; C644-C717 WeakPolarHBondContact SG-CB 3.49Å; C644-C717 CovalentContact SG-SG 2.02Å; C644-C717 PolarHBondContact SG-SG 3.02Å; W647-C717 HydrophobicContact CZ2-CB 4.45Å; C717-P727 CarbonylContact O-C 3.56Å; C717-P727 WeakPolarHBondContact O-CA 3.03Å; C717-Q728 PolarHBondContact N-O 3.27Å; C717-Q728 PolarHBondContact O-N 2.7Å
718	F	90.9	Very high	76	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	142	176.3	-74.9	-102.6	0	0	0	111.4	I645 W647 M650 M659 W663 F667 I691 I716 I725 M726 P727	I645-F718 WeakPolarHBondContact CG1-O 3.44Å; I645-F718 PolarHBondContact N-O 2.84Å; W647-F718 AromaticContact CH2-CD2 3.97Å; W647-F718 HydrophobicContact CH2-CD2 3.97Å; W647-F718 AromaticContact CH2-CE2 3.99Å; W647-F718 HydrophobicContact CH2-CE2 3.99Å; W647-F718 AromaticContact CZ3-CD2 3.86Å; W647-F718 HydrophobicContact CZ3-CD2 3.86Å; W647-F718 AromaticContact CZ3-CE2 3.76Å; W647-F718 HydrophobicContact CZ3-CE2 3.76Å; M650-F718 HydrophobicContact CE-CB 4.4Å; M650-F718 HydrophobicContact CG-CB 3.91Å; M650-F718 HydrophobicContact CG-CD2 4.15Å; M650-F718 HydrophobicContact CG-CG 4.03Å; M650-F718 HydrophobicContact SD-CB 3.26Å; M650-F718 WeakPolarHBondContact SD-CB 3.5Å; M650-F718 HydrophobicContact SD-CD1 3.72Å; M650-F718 HydrophobicContact SD-CD2 4.12Å; M650-F718 HydrophobicContact SD-CG 3.43Å; M650-F718 WeakPolarHBondContact SD-CG 3.23Å; M659-F718 HydrophobicContact CE-CE1 4.4Å; W663-F718 HydrophobicContact CD2-CE1 4.34Å; W663-F718 AromaticContact CD2-CZ 3.76Å; W663-F718 HydrophobicContact CD2-CZ 3.76Å; W663-F718 AromaticContact CE2-CZ 3.77Å; W663-F718 AromaticContact CE3-CZ 3.76Å; W663-F718 HydrophobicContact CE3-CZ 3.76Å; W663-F718 HydrophobicContact CG-CZ 4.48Å; W663-F718 HydrophobicContact CH2-CE2 4.28Å; W663-F718 AromaticContact CH2-CZ 3.82Å; W663-F718 HydrophobicContact CH2-CZ 3.82Å; W663-F718 AromaticContact CZ2-CZ 3.83Å; W663-F718 HydrophobicContact CZ2-CZ 3.83Å; W663-F718 HydrophobicContact CZ3-CE2 4.23Å; W663-F718 AromaticContact CZ3-CZ 3.81Å; W663-F718 HydrophobicContact CZ3-CZ 3.81Å; F667-F718 HydrophobicContact CE2-CE2 4.3Å; F667-F718 AromaticContact CE2-CZ 3.97Å; F667-F718 HydrophobicContact CE2-CZ 3.97Å; F667-F718 AromaticContact CZ-CE2 3.7Å; F667-F718 HydrophobicContact CZ-CE2 3.7Å; F667-F718 AromaticContact CZ-CZ 3.83Å; F667-F718 HydrophobicContact CZ-CZ 3.83Å; I691-F718 HydrophobicContact CD1-CE2 4.49Å; I716-F718 HydrophobicContact CD1-CE2 4.41Å; F718-I725 HydrophobicContact CB-CG2 4.48Å; F718-I725 HydrophobicContact CD1-CG2 3.82Å; F718-M726 WeakPolarHBondContact CA-O 3.36Å; F718-P727 HydrophobicContact CD1-CB 4.28Å; F718-P727 HydrophobicContact CE1-CB 3.91Å; F718-P727 HydrophobicContact CE1-CG 4.19Å; F718-P727 HydrophobicContact CE2-CB 4.29Å; F718-P727 HydrophobicContact CZ-CB 3.9Å; F718-P727 HydrophobicContact CZ-CG 4.44Å
719	V	86.8	Confident	77.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.2	177.1	-58.7	0	0	0	0	111.4	T638 E642 F721 I725 M726 Q728	T638-V719 HydrophobicContact CG2-CG1 3.43Å; T638-V719 VanDerWaalsContact CG2-CG1 3.43Å; E642-V719 HydrophobicContact CB-CB 4.33Å; E642-V719 HydrophobicContact CB-CG1 3.86Å; V719-F721 HydrophobicContact CG2-CB 4.25Å; V719-F721 PolarHBondContact O-N 3.08Å; V719-I725 WeakPolarHBondContact O-CA 3.41Å; V719-M726 HydrophobicContact CG2-CG 4.07Å; V719-M726 PolarHBondContact N-O 2.66Å; V719-M726 PolarHBondContact O-N 2.76Å; V719-Q728 HydrophobicContact CG2-CG 3.9Å
720	N	79.7	Confident	78.4	Confident	97 Å²	97	35.5 Å²	35.5	52%	0.519	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	73.4	176.8	-175.4	0.5	0	0	0	109.7	I645 K722 S723 F724	I645-N720 HydrophobicContact CD1-CB 4.02Å; N720-K722 PolarHBondContact O-N 3.27Å; N720-S723 WeakPolarHBondContact OD1-CA 3.27Å; N720-S723 PolarHBondContact OD1-N 2.83Å; N720-F724 CarbonylContact C-O 3.18Å
721	F	65.1	Low	79.2	Confident	70 Å²	70	34.6 Å²	34.6	31%	0.307	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	108.1	-178.1	-172.4	-103.3	0	0	0	110.1	V719 S723 F724 M726	V719-F721 HydrophobicContact CG2-CB 4.25Å; V719-F721 PolarHBondContact O-N 3.08Å; F721-S723 PolarHBondContact O-N 2.88Å; F721-F724 PolarHBondContact N-O 3.23Å; F721-F724 PolarHBondContact O-N 3.4Å; F721-M726 HydrophobicContact CB-CE 3.95Å; F721-M726 HydrophobicContact CB-CG 4.22Å; F721-M726 HydrophobicContact CB-SD 3.82Å; F721-M726 HydrophobicContact CD1-CE 3.96Å; F721-M726 HydrophobicContact CD1-SD 4.18Å; F721-M726 HydrophobicContact CG-CE 4.42Å; F721-M726 HydrophobicContact CG-SD 4.29Å
722	K	63.9	Low	79.9	Confident	125 Å²	125	39.8 Å²	39.8	54%	0.543	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	43.5	178.1	-56.2	178.6	-179.8	176.4	0	113.9	F66 N720 F724	F66-K722 HydrophobicContact CZ-CB 4.41Å; F66-K722 HydrophobicContact CZ-CD 4.28Å; F66-K722 HydrophobicContact CZ-CG 4.45Å; N720-K722 PolarHBondContact O-N 3.27Å; K722-F724 WeakPolarHBondContact O-CD2 3.05Å; K722-F724 PolarHBondContact O-N 3Å
723	S	62.2	Low	80.7	Confident	92 Å²	92	37.1 Å²	37.1	64%	0.643	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	7	-175.5	-49.9	0	0	0	0	115.4	N720 F721	N720-S723 WeakPolarHBondContact OD1-CA 3.27Å; N720-S723 PolarHBondContact OD1-N 2.83Å; F721-S723 PolarHBondContact O-N 2.88Å
724	F	61	Low	81.2	Confident	92 Å²	92	35.6 Å²	35.6	40%	0.404	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	170.8	-64.2	-84.8	0	0	0	110.2	N720 F721 K722 M726	N720-F724 CarbonylContact C-O 3.18Å; F721-F724 PolarHBondContact N-O 3.23Å; F721-F724 PolarHBondContact O-N 3.4Å; K722-F724 WeakPolarHBondContact O-CD2 3.05Å; K722-F724 PolarHBondContact O-N 3Å; F724-M726 HydrophobicContact CB-CE 3.93Å; F724-M726 PolarHBondContact O-N 3.05Å
725	I	74.4	Confident	81.5	Confident	46 Å²	46	38.2 Å²	38.2	24%	0.236	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	117.9	169.7	-65.2	168.2	0	0	0	107.3	M650 Y653 M659 F718 V719	M650-I725 HydrophobicContact CE-CD1 4.19Å; M650-I725 HydrophobicContact CE-CG1 4.47Å; M650-I725 HydrophobicContact CE-CG2 3.76Å; M650-I725 HydrophobicContact SD-CG2 3.57Å; M650-I725 VanDerWaalsContact SD-CG2 3.57Å; Y653-I725 HydrophobicContact CD1-CD1 3.57Å; Y653-I725 HydrophobicContact CD2-CD1 3.63Å; Y653-I725 HydrophobicContact CE1-CD1 3.54Å; Y653-I725 HydrophobicContact CE2-CD1 3.61Å; Y653-I725 HydrophobicContact CG-CD1 3.61Å; M659-I725 HydrophobicContact CE-CG2 3.84Å; F718-I725 HydrophobicContact CB-CG2 4.48Å; F718-I725 HydrophobicContact CD1-CG2 3.82Å; V719-I725 WeakPolarHBondContact O-CA 3.41Å
726	M	75.5	Confident	81.3	Confident	59 Å²	59	38.4 Å²	38.4	29%	0.291	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.1	-179.9	62.7	178.9	64.4	0	0	112.4	F718 V719 F721 F724	F718-M726 WeakPolarHBondContact CA-O 3.36Å; V719-M726 HydrophobicContact CG2-CG 4.07Å; V719-M726 PolarHBondContact N-O 2.66Å; V719-M726 PolarHBondContact O-N 2.76Å; F721-M726 HydrophobicContact CB-CE 3.95Å; F721-M726 HydrophobicContact CB-CG 4.22Å; F721-M726 HydrophobicContact CB-SD 3.82Å; F721-M726 HydrophobicContact CD1-CE 3.96Å; F721-M726 HydrophobicContact CD1-SD 4.18Å; F721-M726 HydrophobicContact CG-CE 4.42Å; F721-M726 HydrophobicContact CG-SD 4.29Å; F724-M726 HydrophobicContact CB-CE 3.93Å; F724-M726 PolarHBondContact O-N 3.05Å
727	P	84.8	Confident	81.2	Confident	19 Å²	19	39.9 Å²	39.9	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	143.1	171.3	31.2	-34.7	0	0	0	110.9	W663 D708 I710 I716 C717 F718	W663-P727 HydrophobicContact CZ2-CB 3.91Å; W663-P727 HydrophobicContact CZ2-CG 3.76Å; D708-P727 WeakPolarHBondContact OD2-CG 3.49Å; I710-P727 HydrophobicContact CB-CG 4.43Å; I710-P727 HydrophobicContact CG1-CB 4.17Å; I710-P727 HydrophobicContact CG1-CG 4.41Å; I710-P727 HydrophobicContact CG2-CB 3.74Å; I710-P727 HydrophobicContact CG2-CG 3.66Å; I716-P727 HydrophobicContact CD1-CB 3.98Å; C717-P727 CarbonylContact O-C 3.56Å; C717-P727 WeakPolarHBondContact O-CA 3.03Å; F718-P727 HydrophobicContact CD1-CB 4.28Å; F718-P727 HydrophobicContact CE1-CB 3.91Å; F718-P727 HydrophobicContact CE1-CG 4.19Å; F718-P727 HydrophobicContact CE2-CB 4.29Å; F718-P727 HydrophobicContact CZ-CB 3.9Å; F718-P727 HydrophobicContact CZ-CG 4.44Å
728	Q	84.3	Confident	81	Confident	17 Å²	17	40.5 Å²	40.5	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	149.3	174.3	-71.5	-172.4	-1.2	0	0	109.9	T638 I716 C717 V719	T638-Q728 HydrophobicContact CG2-CB 3.6Å; T638-Q728 PolarHBondContact OG1-OE1 2.92Å; I716-Q728 CarbonylContact C-O 3.58Å; I716-Q728 VanDerWaalsContact CA-O 3.29Å; I716-Q728 WeakPolarHBondContact CA-O 3.5Å; I716-Q728 WeakPolarHBondContact CB-O 3.41Å; C717-Q728 PolarHBondContact N-O 3.27Å; C717-Q728 PolarHBondContact O-N 2.7Å; V719-Q728 HydrophobicContact CG2-CG 3.9Å
729	P	88.5	Confident	80.9	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.019	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	150.2	-178.5	31	-20.3	0	0	0	110.3	I639 I710 K713 F758	I639-P729 HydrophobicContact CD1-CG 3.83Å; I639-P729 HydrophobicContact CG1-CG 4.07Å; I639-P729 PolarHBondContact N-O 2.84Å; I710-P729 HydrophobicContact CD1-CG 4.24Å; K713-P729 HydrophobicContact CB-CB 4.1Å; P729-F758 HydrophobicContact CG-CZ 3.91Å
730	C	90.1	Very high	81.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-97.4	-14.4	178.9	-66.1	0	0	0	0	114.1	K635 C688 P715	K635-C730 HydrophobicContact CD-CB 4.39Å; K635-C730 WeakPolarHBondContact CE-O 3.02Å; K635-C730 PolarHBondContact NZ-O 2.82Å; C688-C730 HydrophobicContact CB-CB 3.6Å; C688-C730 WeakPolarHBondContact CB-SG 3.25Å; C688-C730 WeakPolarHBondContact SG-CB 3.3Å; C688-C730 CovalentContact SG-SG 2.01Å; C688-C730 PolarHBondContact SG-SG 3.38Å; P715-C730 WeakPolarHBondContact O-CB 2.98Å; P715-C730 PolarHBondContact O-N 2.83Å
731	F	87.2	Confident	81.6	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.018	22%	0.219	C	C	.	.			trans	-132.4	157.2	-177.9	-59	-88	0	0	0	110.4	L618 I621 M626 Y631 K635 I639 P715	L618-F731 HydrophobicContact CB-CE1 3.97Å; L618-F731 HydrophobicContact CD2-CD1 4.11Å; L618-F731 HydrophobicContact CD2-CE1 3.55Å; L618-F731 HydrophobicContact CD2-CZ 3.95Å; L618-F731 HydrophobicContact CG-CD1 4.09Å; L618-F731 HydrophobicContact CG-CE1 3.7Å; L618-F731 VanDerWaalsContact O-CE1 3.26Å; L618-F731 WeakPolarHBondContact O-CE1 3.42Å; I621-F731 HydrophobicContact CD1-CB 3.91Å; I621-F731 HydrophobicContact CD1-CD1 4.04Å; I621-F731 HydrophobicContact CD1-CD2 3.54Å; I621-F731 HydrophobicContact CD1-CE2 4.08Å; I621-F731 HydrophobicContact CD1-CG 3.53Å; I621-F731 HydrophobicContact CG1-CB 4.06Å; I621-F731 HydrophobicContact CG1-CD1 4.07Å; I621-F731 HydrophobicContact CG1-CD2 4.42Å; I621-F731 HydrophobicContact CG1-CG 3.91Å; M626-F731 HydrophobicContact CE-CB 3.99Å; Y631-F731 AromaticContact CD2-CE2 3.87Å; Y631-F731 HydrophobicContact CD2-CE2 3.87Å; Y631-F731 AromaticContact CD2-CZ 3.83Å; Y631-F731 HydrophobicContact CD2-CZ 3.83Å; Y631-F731 HydrophobicContact CE1-CE2 4.43Å; Y631-F731 HydrophobicContact CE1-CZ 4.35Å; Y631-F731 HydrophobicContact CE2-CE1 4.21Å; Y631-F731 AromaticContact CE2-CE2 3.77Å; Y631-F731 HydrophobicContact CE2-CE2 3.77Å; Y631-F731 AromaticContact CE2-CZ 3.27Å; Y631-F731 HydrophobicContact CE2-CZ 3.27Å; Y631-F731 HydrophobicContact CG-CE2 4.27Å; Y631-F731 AromaticContact CZ-CZ 3.59Å; K635-F731 HydrophobicContact CB-CZ 4.16Å; K635-F731 HydrophobicContact CD-CD1 4.29Å; K635-F731 HydrophobicContact CD-CE1 3.47Å; K635-F731 VanDerWaalsContact CD-CE1 3.47Å; K635-F731 HydrophobicContact CD-CE2 3.99Å; K635-F731 HydrophobicContact CD-CZ 3.28Å; K635-F731 HydrophobicContact CG-CZ 4.34Å; K635-F731 VanDerWaalsContact NZ-CE1 3.33Å; I639-F731 WeakPolarHBondContact CG2-O 3.31Å; P715-F731 HydrophobicContact CB-CD2 3.9Å; P715-F731 HydrophobicContact CB-CE2 3.9Å; P715-F731 HydrophobicContact CG-CD2 4.01Å; P715-F731 HydrophobicContact CG-CE2 4.17Å
732	R	85.1	Confident	82.8	Confident	111 Å²	111	42.4 Å²	42.4	42%	0.419	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	158.2	162.8	-63	-178.6	-178.3	-168.9	3	108.1	C620 I621 M626 I639 M737	C620-R732 VanDerWaalsContact CA-O 3.3Å; C620-R732 WeakPolarHBondContact CA-O 3.33Å; C620-R732 WeakPolarHBondContact CB-O 3.44Å; I621-R732 PolarHBondContact N-O 2.03Å; I621-R732 VanDerWaalsContact N-O 3.15Å; M626-R732 WeakPolarHBondContact CE-O 3.13Å; I639-R732 HydrophobicContact CG2-CG 4.19Å; R732-M737 HydrophobicContact CB-CG 3.8Å; R732-M737 HydrophobicContact CB-SD 4.15Å; R732-M737 HydrophobicContact CG-CG 4.33Å
733	T	85.9	Confident	84.2	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	144	164.3	73.4	0	0	0	0	109	I621 R623 M626 E735 D736 M737	I621-T733 VanDerWaalsContact O-CA 3.25Å; I621-T733 WeakPolarHBondContact O-CA 3.17Å; R623-T733 HydrophobicContact CB-CG2 4.4Å; M626-T733 HydrophobicContact CE-CG2 3.9Å; M626-T733 HydrophobicContact CG-CG2 4.43Å; T733-E735 VanDerWaalsContact CB-OE2 3.28Å; T733-E735 WeakPolarHBondContact CB-OE2 3.45Å; T733-E735 PolarHBondContact O-N 3.19Å; T733-D736 PolarHBondContact O-N 3.21Å; T733-D736 VanDerWaalsContact OG1-CB 3.22Å; T733-D736 WeakPolarHBondContact OG1-CB 3.43Å; T733-D736 PolarHBondContact OG1-N 3.07Å; T733-D736 PolarHBondContact OG1-OD2 3.23Å; T733-M737 PolarHBondContact O-N 2.93Å
734	C	85.6	Confident	85.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-27.8	179.8	-65.4	0	0	0	0	111.6	C620 I621 D622 S738 H829 K830 E831	C620-C734 HydrophobicContact CB-CB 3.9Å; C620-C734 WeakPolarHBondContact CB-SG 3.3Å; C620-C734 WeakPolarHBondContact SG-CA 3.44Å; C620-C734 WeakPolarHBondContact SG-CB 3.5Å; C620-C734 CovalentContact SG-SG 2.04Å; C620-C734 PolarHBondContact SG-SG 2.85Å; I621-C734 PolarHBondContact O-N 3.19Å; I621-C734 VanDerWaalsContact O-N 3.1Å; D622-C734 WeakPolarHBondContact OD1-CB 3.22Å; D622-C734 PolarHBondContact OD1-SG 2.93Å; C734-S738 WeakPolarHBondContact O-CB 3.1Å; C734-S738 PolarHBondContact O-N 3.18Å; C734-S738 PolarHBondContact O-OG 2.86Å; C734-H829 HydrophobicContact CB-CB 4.44Å; C734-K830 VanDerWaalsContact SG-C 3.55Å; C734-E831 PolarHBondContact SG-N 3.05Å
735	E	85.6	Confident	87	Confident	55 Å²	55	32.1 Å²	32.1	26%	0.257	16%	0.156	S	C	.	.	H	α-helix	trans	-66.3	-48.5	170.8	-53.3	91.9	141.4	0	0	111.7	R623 T733 M737 S738 I739	R623-E735 WeakPolarHBondContact CB-OE1 3.02Å; R623-E735 PolarHBondContact N-OE1 3.15Å; R623-E735 PolarHBondContact N-OE2 3.04Å; R623-E735 IonicContact NH1-OE1 2.66Å; T733-E735 VanDerWaalsContact CB-OE2 3.28Å; T733-E735 WeakPolarHBondContact CB-OE2 3.45Å; T733-E735 PolarHBondContact O-N 3.19Å; E735-M737 VanDerWaalsContact C-N 3.31Å; E735-M737 PolarHBondContact O-N 3.06Å; E735-S738 PolarHBondContact O-N 3.45Å; E735-I739 VanDerWaalsContact O-CG1 3.3Å; E735-I739 WeakPolarHBondContact O-CG1 3.46Å; E735-I739 PolarHBondContact O-N 3.36Å
736	D	87.3	Confident	87.7	Confident	5 Å²	5	32.1 Å²	32.1	3%	0.027	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-38.6	176	-73.8	-45.1	0	0	0	111.5	T733 E740 Y755 T756 G757	T733-D736 PolarHBondContact O-N 3.21Å; T733-D736 VanDerWaalsContact OG1-CB 3.22Å; T733-D736 WeakPolarHBondContact OG1-CB 3.43Å; T733-D736 PolarHBondContact OG1-N 3.07Å; T733-D736 PolarHBondContact OG1-OD2 3.23Å; D736-E740 WeakPolarHBondContact O-CB 3.37Å; D736-E740 WeakPolarHBondContact O-CG 3.22Å; D736-E740 PolarHBondContact O-N 3.45Å; D736-E740 VanDerWaalsContact O-N 3.09Å; D736-Y755 HydrophobicContact CB-CE2 4.46Å; D736-Y755 WeakPolarHBondContact OD1-CA 3.32Å; D736-Y755 WeakPolarHBondContact OD1-CD2 3.4Å; D736-T756 PolarHBondContact OD1-N 3.35Å; D736-T756 PolarHBondContact OD2-N 3.11Å; D736-T756 PolarHBondContact OD2-OG1 2.8Å; D736-G757 PolarHBondContact OD1-N 3.02Å
737	M	87.5	Confident	88.2	Confident	33 Å²	33	34.9 Å²	34.9	16%	0.163	17%	0.171	C	C	.	.	H	α-helix	trans	-63.3	-45.7	173.3	-81.9	-176.5	43.3	0	0	112	C620 R732 T733 E735 I739 E740 E741 H829	C620-M737 HydrophobicContact CB-SD 3.7Å; R732-M737 HydrophobicContact CB-CG 3.8Å; R732-M737 HydrophobicContact CB-SD 4.15Å; R732-M737 HydrophobicContact CG-CG 4.33Å; T733-M737 PolarHBondContact O-N 2.93Å; E735-M737 VanDerWaalsContact C-N 3.31Å; E735-M737 PolarHBondContact O-N 3.06Å; M737-I739 VanDerWaalsContact C-N 3.32Å; M737-I739 PolarHBondContact O-N 2.7Å; M737-E740 PolarHBondContact O-N 2.85Å; M737-E741 PolarHBondContact O-N 3.13Å; M737-H829 VanDerWaalsContact CB-CD2 3.46Å; M737-H829 WeakPolarHBondContact CB-CD2 3.5Å
738	S	89.7	Confident	88	Confident	13 Å²	13	37 Å²	37	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-39.7	179.5	-56	0	0	0	0	111.7	C734 E735 N742 H829	C734-S738 WeakPolarHBondContact O-CB 3.1Å; C734-S738 PolarHBondContact O-N 3.18Å; C734-S738 PolarHBondContact O-OG 2.86Å; E735-S738 PolarHBondContact O-N 3.45Å; S738-N742 WeakPolarHBondContact O-CB 3.4Å; S738-N742 PolarHBondContact O-N 2.91Å; S738-N742 VanDerWaalsContact O-N 3.13Å; S738-N742 PolarHBondContact O-ND2 2.85Å; S738-H829 PolarHBondContact OG-N 2.01Å
739	I	89.9	Confident	87.9	Confident	24 Å²	24	38.3 Å²	38.3	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-65.6	-42.9	177	-71.2	169.5	0	0	0	111.5	E735 M737 N743 C744 I745 Y755 F817	E735-I739 VanDerWaalsContact O-CG1 3.3Å; E735-I739 WeakPolarHBondContact O-CG1 3.46Å; E735-I739 PolarHBondContact O-N 3.36Å; M737-I739 VanDerWaalsContact C-N 3.32Å; M737-I739 PolarHBondContact O-N 2.7Å; I739-N743 WeakPolarHBondContact O-CA 3.49Å; I739-N743 PolarHBondContact O-N 3.29Å; I739-C744 PolarHBondContact O-N 2.9Å; I739-I745 HydrophobicContact CB-CG1 4.49Å; I739-I745 HydrophobicContact CD1-CD1 4.49Å; I739-I745 HydrophobicContact CD1-CG1 4.26Å; I739-I745 HydrophobicContact CG1-CG1 4.1Å; I739-I745 HydrophobicContact CG2-CD1 4.05Å; I739-I745 HydrophobicContact CG2-CG1 3.67Å; I739-Y755 HydrophobicContact CG2-CD2 4.11Å; I739-Y755 HydrophobicContact CG2-CE2 4.49Å; I739-F817 HydrophobicContact CG2-CD1 3.72Å; I739-F817 HydrophobicContact CG2-CD2 4.23Å; I739-F817 HydrophobicContact CG2-CE1 3.42Å; I739-F817 VanDerWaalsContact CG2-CE1 3.42Å; I739-F817 HydrophobicContact CG2-CE2 3.97Å; I739-F817 HydrophobicContact CG2-CG 4.11Å; I739-F817 HydrophobicContact CG2-CZ 3.55Å
740	E	89.6	Confident	87.7	Confident	51 Å²	51	38.8 Å²	38.8	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-72.9	-41.2	-178.7	-65.5	-88.3	-136.3	0	0	112.5	D736 M737 N743 Y755 R759 F817	D736-E740 WeakPolarHBondContact O-CB 3.37Å; D736-E740 WeakPolarHBondContact O-CG 3.22Å; D736-E740 PolarHBondContact O-N 3.45Å; D736-E740 VanDerWaalsContact O-N 3.09Å; M737-E740 PolarHBondContact O-N 2.85Å; E740-N743 PolarHBondContact O-N 3.27Å; E740-N743 VanDerWaalsContact O-N 3.14Å; E740-Y755 HydrophobicContact CG-CE2 3.97Å; E740-Y755 PolarHBondContact OE1-OH 3.32Å; E740-R759 IonicContact OE2-CZ 2.75Å; E740-R759 IonicContact OE2-NH1 3.74Å; E740-R759 PolarHBondContact OE2-NH1 2.77Å; E740-F817 WeakPolarHBondContact OE2-CE1 3.34Å
741	E	90.5	Very high	87	Confident	121 Å²	121	43.3 Å²	43.3	57%	0.565	22%	0.222	S	C	*	.	H	α-helix	trans	-69.1	-37.7	178.6	-170.6	167	142.8	0	0	111.9	M737 N743 H829	M737-E741 PolarHBondContact O-N 3.13Å; E741-N743 VanDerWaalsContact C-N 3.26Å; E741-N743 PolarHBondContact O-N 2.91Å; E741-H829 IonicContact OE2-CE1 2.71Å; E741-H829 PolarHBondContact OE2-CE1 3.21Å; E741-H829 IonicContact OE2-NE2 2.72Å; E741-H829 PolarHBondContact OE2-NE2 2.84Å
742	N	91.3	Very high	86.2	Confident	14 Å²	14	45.1 Å²	45.1	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-72.6	-19.4	171.1	-73.9	-61.3	0	0	0	113.6	S738 C744 K824 L826 V827	S738-N742 WeakPolarHBondContact O-CB 3.4Å; S738-N742 PolarHBondContact O-N 2.91Å; S738-N742 VanDerWaalsContact O-N 3.13Å; S738-N742 PolarHBondContact O-ND2 2.85Å; N742-C744 PolarHBondContact O-N 3.42Å; N742-C744 VanDerWaalsContact O-N 3.16Å; N742-K824 PolarHBondContact O-NZ 2.9Å; N742-L826 HydrophobicContact CB-CD2 4.3Å; N742-L826 VanDerWaalsContact OD1-CA 3.31Å; N742-L826 WeakPolarHBondContact OD1-CA 3.35Å; N742-L826 WeakPolarHBondContact OD1-CD2 3Å; N742-V827 PolarHBondContact ND2-O 3.44Å; N742-V827 PolarHBondContact OD1-N 3.05Å
743	N	92.4	Very high	85.6	Confident	81 Å²	81	40.3 Å²	40.3	43%	0.433	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	22.6	-169.1	-167.6	46.7	0	0	0	114	I739 E740 E741 R759	I739-N743 WeakPolarHBondContact O-CA 3.49Å; I739-N743 PolarHBondContact O-N 3.29Å; E740-N743 PolarHBondContact O-N 3.27Å; E740-N743 VanDerWaalsContact O-N 3.14Å; E741-N743 VanDerWaalsContact C-N 3.26Å; E741-N743 PolarHBondContact O-N 2.91Å; N743-R759 VanDerWaalsContact OD1-CZ 3.27Å; N743-R759 PolarHBondContact OD1-NH1 3.05Å; N743-R759 PolarHBondContact OD1-NH2 2.84Å
744	C	92.5	Very high	84.9	Confident	7 Å²	7	44 Å²	44	5%	0.047	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	163.1	-176.5	68.7	0	0	0	0	111.4	I739 N742 D818 C820	I739-C744 PolarHBondContact O-N 2.9Å; N742-C744 PolarHBondContact O-N 3.42Å; N742-C744 VanDerWaalsContact O-N 3.16Å; C744-D818 CarbonylContact C-O 3.6Å; C744-D818 WeakPolarHBondContact CA-O 3.47Å; C744-D818 VanDerWaalsContact CB-O 3.23Å; C744-D818 WeakPolarHBondContact CB-O 3.35Å; C744-C820 HydrophobicContact CB-CB 3.99Å; C744-C820 WeakPolarHBondContact CB-SG 3.47Å; C744-C820 WeakPolarHBondContact SG-CA 3.42Å; C744-C820 WeakPolarHBondContact SG-CB 3.37Å; C744-C820 CovalentContact SG-SG 2.05Å; C744-C820 PolarHBondContact SG-SG 3.38Å
745	I	89.9	Confident	84.6	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.6	176.8	-63.7	170.1	0	0	0	109.7	I739 I750 A753 P802 F817 D818 C820	I739-I745 HydrophobicContact CB-CG1 4.49Å; I739-I745 HydrophobicContact CD1-CD1 4.49Å; I739-I745 HydrophobicContact CD1-CG1 4.26Å; I739-I745 HydrophobicContact CG1-CG1 4.1Å; I739-I745 HydrophobicContact CG2-CD1 4.05Å; I739-I745 HydrophobicContact CG2-CG1 3.67Å; I745-I750 HydrophobicContact CG2-CB 4.21Å; I745-I750 HydrophobicContact CG2-CG1 4.31Å; I745-A753 HydrophobicContact CD1-CB 4.24Å; I745-A753 HydrophobicContact CG2-CB 3.93Å; I745-P802 HydrophobicContact CD1-CG 3.67Å; I745-F817 HydrophobicContact CD1-CB 3.9Å; I745-F817 HydrophobicContact CD1-CD2 3.67Å; I745-F817 HydrophobicContact CD1-CE2 4.43Å; I745-F817 HydrophobicContact CD1-CG 3.89Å; I745-F817 HydrophobicContact CG1-CB 4.02Å; I745-F817 HydrophobicContact CG1-CD2 4.4Å; I745-F817 HydrophobicContact CG1-CG 4.15Å; I745-D818 PolarHBondContact N-O 2.92Å; I745-C820 VanDerWaalsContact C-SG 3.54Å; I745-C820 PolarHBondContact N-SG 3.44Å; I745-C820 PolarHBondContact O-N 2.83Å
746	E	88.3	Confident	83.9	Confident	45 Å²	45	43 Å²	43	21%	0.21	24%	0.238	C	C	.	.			trans	-67.4	134.9	-179.2	-61	-175	-154.6	0	0	111.3	A748 T749 I750 L826 R828	E746-A748 PolarHBondContact O-N 2.85Å; E746-T749 PolarHBondContact O-N 2.95Å; E746-T749 PolarHBondContact O-OG1 3.47Å; E746-I750 PolarHBondContact O-N 3.1Å; E746-I750 VanDerWaalsContact O-N 3.12Å; E746-L826 HydrophobicContact CG-CD1 3.5Å; E746-L826 VanDerWaalsContact CG-CD1 3.5Å; E746-L826 WeakPolarHBondContact OE1-CD1 3.18Å; E746-R828 IonicContact OE1-CZ 2.6Å; E746-R828 VanDerWaalsContact OE1-CZ 3.24Å; E746-R828 IonicContact OE1-NE 3.8Å; E746-R828 PolarHBondContact OE1-NE 3.28Å; E746-R828 IonicContact OE1-NH2 3.39Å; E746-R828 PolarHBondContact OE1-NH2 2.9Å; E746-R828 IonicContact OE2-CZ 2.77Å; E746-R828 IonicContact OE2-NH2 3.44Å; E746-R828 PolarHBondContact OE2-NH2 3.31Å
747	N	85.7	Confident	83.3	Confident	117 Å²	117	43 Å²	43	63%	0.626	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.3	-175	-167	94.5	0	0	0	113.4	V819	N747-V819 HydrophobicContact CB-CG1 3.68Å; N747-V819 WeakPolarHBondContact OD1-CG1 3.3Å
748	A	82.4	Confident	82.9	Confident	64 Å²	64	43.5 Å²	43.5	53%	0.529	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-17.7	177.9	0	0	0	0	0	113.9	E746	E746-A748 PolarHBondContact O-N 2.85Å
749	T	82.3	Confident	82.7	Confident	44 Å²	44	45 Å²	45	27%	0.27	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	0.3	-177.6	56.7	0	0	0	0	113	E746 Q751 T752 A753 L868	E746-T749 PolarHBondContact O-N 2.95Å; E746-T749 PolarHBondContact O-OG1 3.47Å; T749-Q751 PolarHBondContact O-N 3.33Å; T749-T752 CarbonylContact O-C 3.6Å; T749-T752 PolarHBondContact O-N 3.1Å; T749-T752 VanDerWaalsContact O-N 3.11Å; T749-T752 PolarHBondContact O-OG1 2.79Å; T749-A753 VanDerWaalsContact O-CB 3.31Å; T749-A753 WeakPolarHBondContact O-CB 3.31Å; T749-A753 PolarHBondContact O-N 3.42Å; T749-L868 HydrophobicContact CG2-CD1 3.82Å
750	I	83	Confident	82.6	Confident	13 Å²	13	46 Å²	46	7%	0.067	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-40.3	-168.3	-167.4	165.3	0	0	0	114.2	I745 E746 N794 G801 V819	I745-I750 HydrophobicContact CG2-CB 4.21Å; I745-I750 HydrophobicContact CG2-CG1 4.31Å; E746-I750 PolarHBondContact O-N 3.1Å; E746-I750 VanDerWaalsContact O-N 3.12Å; I750-N794 PolarHBondContact O-ND2 2.02Å; I750-G801 WeakPolarHBondContact O-CA 3.28Å; I750-V819 HydrophobicContact CD1-CG1 4.49Å; I750-V819 HydrophobicContact CD1-CG2 3.81Å
751	Q	76.4	Confident	82.7	Confident	95 Å²	95	48.9 Å²	48.9	44%	0.444	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-37.2	177	-76.3	169.6	-38.5	0	0	112.7	T749 N794	T749-Q751 PolarHBondContact O-N 3.33Å; Q751-N794 PolarHBondContact O-ND2 3.2Å
752	T	69.4	Low	82.8	Confident	42 Å²	42	43.3 Å²	43.3	26%	0.258	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	5.8	-178.1	52.9	0	0	0	0	113.6	T749 V754	T749-T752 CarbonylContact O-C 3.6Å; T749-T752 PolarHBondContact O-N 3.1Å; T749-T752 VanDerWaalsContact O-N 3.11Å; T749-T752 PolarHBondContact O-OG1 2.79Å; T752-V754 PolarHBondContact O-N 2.72Å
753	A	72.5	Confident	82.9	Confident	10 Å²	10	46.9 Å²	46.9	8%	0.083	25%	0.254	C	S	.	.			trans	-71.2	91.7	-177.1	0	0	0	0	0	112.3	I745 T749 Y755 N794	I745-A753 HydrophobicContact CD1-CB 4.24Å; I745-A753 HydrophobicContact CG2-CB 3.93Å; T749-A753 VanDerWaalsContact O-CB 3.31Å; T749-A753 WeakPolarHBondContact O-CB 3.31Å; T749-A753 PolarHBondContact O-N 3.42Å; A753-Y755 VanDerWaalsContact C-N 3.25Å; A753-Y755 PolarHBondContact O-N 3.27Å; A753-N794 WeakPolarHBondContact O-CB 3.44Å; A753-N794 PolarHBondContact O-ND2 2.93Å
754	V	70.9	Confident	82.8	Confident	86 Å²	86	47.1 Å²	47.1	52%	0.521	26%	0.258	S	S	.	.			trans	-73.1	75.2	172.2	-171.8	0	0	0	0	110.6	R623 T752 T756	R623-V754 VanDerWaalsContact CZ-O 3.28Å; R623-V754 PolarHBondContact NH2-O 3.01Å; T752-V754 PolarHBondContact O-N 2.72Å; V754-T756 HydrophobicContact CG1-CG2 4.18Å; V754-T756 PolarHBondContact O-N 3.33Å
755	Y	79.7	Confident	82.7	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.012	28%	0.277	C	S	.	.			trans	-74.1	118.7	173.5	172	-96.1	0	0	0	110.8	D736 I739 E740 A753 G757 F758 R759 C792 P802 F817	D736-Y755 HydrophobicContact CB-CE2 4.46Å; D736-Y755 WeakPolarHBondContact OD1-CA 3.32Å; D736-Y755 WeakPolarHBondContact OD1-CD2 3.4Å; I739-Y755 HydrophobicContact CG2-CD2 4.11Å; I739-Y755 HydrophobicContact CG2-CE2 4.49Å; E740-Y755 HydrophobicContact CG-CE2 3.97Å; E740-Y755 PolarHBondContact OE1-OH 3.32Å; A753-Y755 VanDerWaalsContact C-N 3.25Å; A753-Y755 PolarHBondContact O-N 3.27Å; Y755-G757 VanDerWaalsContact OH-C 3.22Å; Y755-G757 WeakPolarHBondContact OH-CA 3.44Å; Y755-F758 PolarHBondContact OH-N 3.48Å; Y755-R759 HydrophobicContact CE1-CB 4.15Å; Y755-R759 WeakPolarHBondContact OH-CB 3.26Å; Y755-R759 PolarHBondContact OH-N 2.77Å; Y755-C792 HydrophobicContact CD1-CB 4.26Å; Y755-C792 WeakPolarHBondContact CD1-O 3.35Å; Y755-C792 HydrophobicContact CE1-CB 4.11Å; Y755-P802 HydrophobicContact CD1-CB 4.2Å; Y755-P802 HydrophobicContact CG-CB 4.33Å; Y755-P802 HydrophobicContact CG-CG 4.17Å; Y755-F817 HydrophobicContact CD1-CE2 4.08Å; Y755-F817 AromaticContact CD2-CE2 3.9Å; Y755-F817 HydrophobicContact CD2-CE2 3.9Å; Y755-F817 AromaticContact CD2-CZ 3.82Å; Y755-F817 HydrophobicContact CD2-CZ 3.82Å; Y755-F817 HydrophobicContact CE1-CE2 4.17Å; Y755-F817 HydrophobicContact CE1-CZ 4.26Å; Y755-F817 AromaticContact CE2-CE2 3.99Å; Y755-F817 HydrophobicContact CE2-CE2 3.99Å; Y755-F817 AromaticContact CE2-CZ 3.51Å; Y755-F817 HydrophobicContact CE2-CZ 3.51Å; Y755-F817 AromaticContact CG-CE2 3.95Å; Y755-F817 HydrophobicContact CG-CE2 3.95Å; Y755-F817 HydrophobicContact CG-CZ 4.32Å; Y755-F817 AromaticContact CZ-CZ 3.75Å
756	T	71	Confident	82.7	Confident	31 Å²	31	51 Å²	51	19%	0.19	29%	0.286	C	S	.	.			trans	-105.8	-2.6	-176.9	85.4	0	0	0	0	113.5	K713 D736 V754	K713-T756 PolarHBondContact NZ-O 3.29Å; D736-T756 PolarHBondContact OD1-N 3.35Å; D736-T756 PolarHBondContact OD2-N 3.11Å; D736-T756 PolarHBondContact OD2-OG1 2.8Å; V754-T756 HydrophobicContact CG1-CG2 4.18Å; V754-T756 PolarHBondContact O-N 3.33Å
757	G	75.3	Confident	82.8	Confident	4 Å²	4	53.1 Å²	53.1	4%	0.041	30%	0.304	C	S	.	.	S	Bend	trans	-67.5	-162.7	-177.1	0	0	0	0	0	116.2	D736 Y755 R793	D736-G757 PolarHBondContact OD1-N 3.02Å; Y755-G757 VanDerWaalsContact OH-C 3.22Å; Y755-G757 WeakPolarHBondContact OH-CA 3.44Å; G757-R793 PolarHBondContact O-NH1 3.21Å
758	F	77.7	Confident	82.9	Confident	44 Å²	44	47.8 Å²	47.8	19%	0.193	28%	0.276	C	S	.	.			trans	-122.1	12.2	-159.6	-54	-84	0	0	0	114.1	I639 Y640 K713 P729 Y755 T760 Y791	I639-F758 HydrophobicContact CD1-CD1 4.48Å; I639-F758 HydrophobicContact CD1-CD2 3.65Å; I639-F758 HydrophobicContact CD1-CE1 4.05Å; I639-F758 HydrophobicContact CD1-CE2 3.16Å; I639-F758 HydrophobicContact CD1-CG 4.31Å; I639-F758 HydrophobicContact CD1-CZ 3.38Å; Y640-F758 WeakPolarHBondContact OH-CD1 3.43Å; Y640-F758 WeakPolarHBondContact OH-CE1 3.43Å; K713-F758 HydrophobicContact CD-CZ 4.35Å; P729-F758 HydrophobicContact CG-CZ 3.91Å; Y755-F758 PolarHBondContact OH-N 3.48Å; F758-T760 PolarHBondContact O-N 3.22Å; F758-Y791 VanDerWaalsContact C-CD1 3.49Å; F758-Y791 HydrophobicContact CB-CD1 4.19Å; F758-Y791 HydrophobicContact CB-CE1 3.98Å; F758-Y791 HydrophobicContact CD1-CD2 4.31Å; F758-Y791 HydrophobicContact CD1-CE1 4.15Å; F758-Y791 AromaticContact CD1-CE2 3.86Å; F758-Y791 HydrophobicContact CD1-CE2 3.86Å; F758-Y791 AromaticContact CD1-CZ 3.78Å; F758-Y791 HydrophobicContact CE1-CE2 4.41Å; F758-Y791 VanDerWaalsContact O-CD1 3.23Å; F758-Y791 WeakPolarHBondContact O-CD1 3.28Å; F758-Y791 WeakPolarHBondContact O-CE1 3.45Å
759	R	85.5	Confident	83	Confident	43 Å²	43	47.9 Å²	47.9	16%	0.162	26%	0.264	C	S	.	.			trans	-61.9	129.3	174.1	-173.2	176.9	-170.9	114.8	-10.1	110.9	E740 N743 Y755 Y791 C792 C816 F817	E740-R759 IonicContact OE2-CZ 2.75Å; E740-R759 IonicContact OE2-NH1 3.74Å; E740-R759 PolarHBondContact OE2-NH1 2.77Å; N743-R759 VanDerWaalsContact OD1-CZ 3.27Å; N743-R759 PolarHBondContact OD1-NH1 3.05Å; N743-R759 PolarHBondContact OD1-NH2 2.84Å; Y755-R759 HydrophobicContact CE1-CB 4.15Å; Y755-R759 WeakPolarHBondContact OH-CB 3.26Å; Y755-R759 PolarHBondContact OH-N 2.77Å; R759-Y791 CarbonylContact O-C 3.51Å; R759-Y791 VanDerWaalsContact O-CA 3.3Å; R759-Y791 WeakPolarHBondContact O-CA 2.87Å; R759-C792 PolarHBondContact O-N 2.93Å; R759-C792 PolarHBondContact O-SG 3.44Å; R759-C816 VanDerWaalsContact CZ-O 3.24Å; R759-C816 PolarHBondContact NE-O 2.93Å; R759-C816 PolarHBondContact NH2-O 3.47Å; R759-F817 HydrophobicContact CB-CZ 4.46Å; R759-F817 VanDerWaalsContact NH1-CE1 3.26Å
760	T	88.4	Confident	82.6	Confident	46 Å²	46	49.6 Å²	49.6	28%	0.282	27%	0.266	S	S	.	.			trans	-121	17.3	-177.9	52.9	0	0	0	0	112.5	F758 C768 N790 Y791	F758-T760 PolarHBondContact O-N 3.22Å; T760-C768 WeakPolarHBondContact O-CB 3.5Å; T760-C768 PolarHBondContact O-N 3.2Å; T760-C768 PolarHBondContact O-SG 2.74Å; T760-N790 WeakPolarHBondContact CG2-OD1 3.36Å; T760-Y791 HydrophobicContact CG2-CD1 3.46Å; T760-Y791 VanDerWaalsContact CG2-CD1 3.46Å; T760-Y791 HydrophobicContact CG2-CE1 3.74Å
761	Q	91.2	Very high	82.1	Confident	111 Å²	111	49.5 Å²	49.5	52%	0.519	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-131.1	141.2	-177.8	-63.7	-178.2	16.6	0	0	110.6	K766	Q761-K766 CarbonylContact C-O 3.46Å; Q761-K766 WeakPolarHBondContact CA-O 3.42Å
762	T	93.1	Very high	81.4	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.025	26%	0.262	C	S	.	.			trans	-71.5	170	173.7	75	0	0	0	0	110.9	T764 G765 K766 V806 E814	T762-T764 PolarHBondContact O-N 2.96Å; T762-T764 PolarHBondContact OG1-N 2.55Å; T762-T764 PolarHBondContact OG1-OG1 3.24Å; T762-G765 WeakPolarHBondContact O-CA 3.38Å; T762-G765 PolarHBondContact O-N 2.86Å; T762-K766 HydrophobicContact CG2-CB 4.12Å; T762-K766 PolarHBondContact N-O 3.06Å; T762-K766 WeakPolarHBondContact OG1-CB 3.21Å; T762-K766 PolarHBondContact OG1-N 3.11Å; T762-K766 VanDerWaalsContact OG1-N 3.11Å; T762-V806 HydrophobicContact CG2-CG2 3.57Å; T762-E814 WeakPolarHBondContact CB-OE1 3.47Å; T762-E814 HydrophobicContact CG2-CB 3.79Å; T762-E814 HydrophobicContact CG2-CG 4.26Å; T762-E814 PolarHBondContact OG1-OE1 3.05Å
763	K	92.8	Very high	81.3	Confident	89 Å²	89	50.9 Å²	50.9	39%	0.387	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.5	175.4	71.3	-168	-156.1	149.2	0	114.2	G765 A815 C816 F817 D818	K763-G765 VanDerWaalsContact C-N 3.28Å; K763-A815 HydrophobicContact CD-CB 4.2Å; K763-A815 WeakPolarHBondContact CG-O 3.27Å; K763-A815 PolarHBondContact N-O 3.48Å; K763-C816 PolarHBondContact N-O 3.06Å; K763-F817 VanDerWaalsContact CD-O 3.28Å; K763-F817 WeakPolarHBondContact CD-O 3.4Å; K763-D818 WeakPolarHBondContact CD-OD1 3.31Å; K763-D818 WeakPolarHBondContact CE-OD1 3.44Å; K763-D818 IonicContact NZ-OD1 2.66Å; K763-D818 PolarHBondContact NZ-OD1 2.91Å
764	T	90.7	Very high	80.7	Confident	87 Å²	87	54.7 Å²	54.7	53%	0.534	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	10.5	169	68.2	0	0	0	0	114	T762 K766 E814	T762-T764 PolarHBondContact O-N 2.96Å; T762-T764 PolarHBondContact OG1-N 2.55Å; T762-T764 PolarHBondContact OG1-OG1 3.24Å; T764-K766 VanDerWaalsContact C-N 3.3Å; T764-K766 PolarHBondContact O-N 3.46Å; T764-K766 WeakPolarHBondContact OG1-CE 3.25Å; T764-E814 WeakPolarHBondContact CB-OE1 3.27Å; T764-E814 WeakPolarHBondContact CG2-OE1 3.2Å; T764-E814 PolarHBondContact N-OE1 3.32Å; T764-E814 VanDerWaalsContact OG1-CD 3.32Å; T764-E814 PolarHBondContact OG1-OE1 2.96Å; T764-E814 PolarHBondContact OG1-OE2 2.93Å
765	G	90.5	Very high	79.6	Confident	43 Å²	43	57.1 Å²	57.1	44%	0.443	30%	0.298	S	S	.	.	S	Bend	trans	76.9	9.3	177	0	0	0	0	0	114.9	T762 K763	T762-G765 WeakPolarHBondContact O-CA 3.38Å; T762-G765 PolarHBondContact O-N 2.86Å; K763-G765 VanDerWaalsContact C-N 3.28Å
766	K	90.9	Very high	78.1	Confident	50 Å²	50	58 Å²	58	22%	0.217	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-73.5	143	176.6	-58.4	172.3	-167.7	158.2	0	109.6	Q761 T762 T764 V806 E814	Q761-K766 CarbonylContact C-O 3.46Å; Q761-K766 WeakPolarHBondContact CA-O 3.42Å; T762-K766 HydrophobicContact CG2-CB 4.12Å; T762-K766 PolarHBondContact N-O 3.06Å; T762-K766 WeakPolarHBondContact OG1-CB 3.21Å; T762-K766 PolarHBondContact OG1-N 3.11Å; T762-K766 VanDerWaalsContact OG1-N 3.11Å; T764-K766 VanDerWaalsContact C-N 3.3Å; T764-K766 PolarHBondContact O-N 3.46Å; T764-K766 WeakPolarHBondContact OG1-CE 3.25Å; K766-V806 HydrophobicContact CB-CG1 3.66Å; K766-V806 HydrophobicContact CD-CG1 3.66Å; K766-V806 HydrophobicContact CG-CG1 4.28Å; K766-E814 WeakPolarHBondContact CE-OE2 3.31Å; K766-E814 IonicContact NZ-OE2 3.35Å; K766-E814 PolarHBondContact NZ-OE2 3.45Å
767	P	89	Confident	76.7	Confident	90 Å²	90	63.8 Å²	63.8	58%	0.584	33%	0.332	S	S	*	.	B	Isolated β-bridge	trans	-72.6	131.8	177.8	29.8	-34.1	0	0	0	111
768	C	88.6	Confident	75.3	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.034	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.3	141.7	171.2	-66.1	0	0	0	0	111.3	T760 N790 C804 Y805	T760-C768 WeakPolarHBondContact O-CB 3.5Å; T760-C768 PolarHBondContact O-N 3.2Å; T760-C768 PolarHBondContact O-SG 2.74Å; C768-N790 HydrophobicContact CB-CB 4.09Å; C768-N790 WeakPolarHBondContact CB-O 2.95Å; C768-N790 WeakPolarHBondContact O-CB 3.29Å; C768-N790 PolarHBondContact O-ND2 3.17Å; C768-C804 WeakPolarHBondContact CA-SG 3.44Å; C768-C804 HydrophobicContact CB-CB 3.5Å; C768-C804 WeakPolarHBondContact CB-SG 3.28Å; C768-C804 WeakPolarHBondContact SG-CB 3.28Å; C768-C804 CovalentContact SG-SG 2.03Å; C768-C804 PolarHBondContact SG-SG 3.31Å; C768-Y805 CarbonylContact C-O 3.55Å; C768-Y805 WeakPolarHBondContact CA-O 3.34Å
769	K	84.4	Confident	73.8	Confident	66 Å²	66	75.3 Å²	75.3	29%	0.287	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-83.9	157	166.1	-53.1	-47	-134.3	82.6	0	111	E773 N790 Y805 F807	K769-E773 IonicContact NZ-OE2 3.21Å; K769-E773 PolarHBondContact NZ-OE2 3.11Å; K769-N790 VanDerWaalsContact C-CB 3.44Å; K769-N790 VanDerWaalsContact O-CB 3.28Å; K769-N790 WeakPolarHBondContact O-CB 3.42Å; K769-Y805 PolarHBondContact N-O 3.33Å; K769-F807 HydrophobicContact CB-CD2 4.48Å; K769-F807 HydrophobicContact CB-CE2 4.4Å; K769-F807 HydrophobicContact CG-CD2 3.83Å; K769-F807 HydrophobicContact CG-CE2 4.23Å
770	R	74	Confident	72.1	Confident	80 Å²	80	74.2 Å²	74.2	30%	0.302	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-67.3	150.1	174.2	-59.7	161.8	48	126.7	-18.2	110.4	D772 E773 P787 L788 H789 N790	R770-D772 WeakPolarHBondContact CB-OD1 3.05Å; R770-D772 IonicContact CZ-OD1 3.39Å; R770-D772 IonicContact CZ-OD2 3.4Å; R770-D772 IonicContact NE-OD1 2.74Å; R770-D772 PolarHBondContact NE-OD1 2.77Å; R770-D772 IonicContact NE-OD2 2.7Å; R770-D772 VanDerWaalsContact NH2-CG 3.3Å; R770-D772 IonicContact NH2-OD1 3.7Å; R770-D772 PolarHBondContact NH2-OD1 3.31Å; R770-D772 IonicContact NH2-OD2 3.68Å; R770-D772 PolarHBondContact NH2-OD2 3.21Å; R770-D772 PolarHBondContact O-N 3.19Å; R770-E773 HydrophobicContact CB-CG 4.1Å; R770-E773 PolarHBondContact N-OE1 3.1Å; R770-E773 PolarHBondContact O-N 3.1Å; R770-P787 PolarHBondContact NH2-O 2.94Å; R770-L788 PolarHBondContact NH1-O 3.13Å; R770-L788 VanDerWaalsContact NH1-O 3.16Å; R770-H789 WeakPolarHBondContact CA-O 3.42Å; R770-N790 HydrophobicContact CG-CB 4.2Å
771	W	71.5	Confident	70.1	Confident	11 Å²	11	72.4 Å²	72.4	4%	0.042	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.6	-179.2	-62.6	97.4	0	0	0	113.8	T785 H789 Y791 R793 W803 C804 Y805	W771-T785 HydrophobicContact CB-CG2 4.43Å; W771-T785 HydrophobicContact CD2-CG2 3.71Å; W771-T785 HydrophobicContact CE3-CG2 3.86Å; W771-T785 HydrophobicContact CG-CG2 3.96Å; W771-T785 HydrophobicContact CZ3-CG2 4.39Å; W771-H789 AromaticContact CD1-ND1 3.75Å; W771-H789 VanDerWaalsContact CD1-O 3.27Å; W771-H789 PolarHBondContact N-O 2.89Å; W771-Y791 PolarHBondContact NE1-O 3.01Å; W771-R793 HydrophobicContact CH2-CB 4.3Å; W771-R793 HydrophobicContact CZ2-CB 3.78Å; W771-R793 HydrophobicContact CZ2-CG 4.15Å; W771-W803 AromaticContact CH2-CD2 4Å; W771-W803 HydrophobicContact CH2-CD2 4Å; W771-W803 AromaticContact CH2-CE3 3.79Å; W771-W803 HydrophobicContact CH2-CE3 3.79Å; W771-W803 HydrophobicContact CH2-CH2 4.22Å; W771-W803 HydrophobicContact CH2-CZ2 4.37Å; W771-W803 AromaticContact CH2-CZ3 3.91Å; W771-W803 HydrophobicContact CH2-CZ3 3.91Å; W771-W803 WeakPolarHBondContact CH2-O 3.44Å; W771-W803 VanDerWaalsContact CZ2-O 3.29Å; W771-W803 WeakPolarHBondContact CZ2-O 3.03Å; W771-W803 HydrophobicContact CZ3-CD2 4.47Å; W771-W803 HydrophobicContact CZ3-CE3 4.03Å; W771-W803 AromaticContact CZ3-CH2 3.71Å; W771-W803 HydrophobicContact CZ3-CH2 3.71Å; W771-W803 HydrophobicContact CZ3-CZ2 4.14Å; W771-W803 AromaticContact CZ3-CZ3 3.63Å; W771-W803 HydrophobicContact CZ3-CZ3 3.63Å; W771-C804 HydrophobicContact CZ2-CB 4.33Å; W771-Y805 AromaticContact CE3-CD2 3.87Å; W771-Y805 HydrophobicContact CE3-CD2 3.87Å; W771-Y805 AromaticContact CE3-CE2 3.73Å; W771-Y805 HydrophobicContact CE3-CE2 3.73Å; W771-Y805 HydrophobicContact CZ3-CD2 4.06Å; W771-Y805 AromaticContact CZ3-CE2 3.87Å; W771-Y805 HydrophobicContact CZ3-CE2 3.87Å
772	D	63.5	Low	67.9	Low	72 Å²	72	71 Å²	71	39%	0.385	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-4.5	175.4	71.7	-50.9	0	0	0	114.4	R770 R774	R770-D772 WeakPolarHBondContact CB-OD1 3.05Å; R770-D772 IonicContact CZ-OD1 3.39Å; R770-D772 IonicContact CZ-OD2 3.4Å; R770-D772 IonicContact NE-OD1 2.74Å; R770-D772 PolarHBondContact NE-OD1 2.77Å; R770-D772 IonicContact NE-OD2 2.7Å; R770-D772 VanDerWaalsContact NH2-CG 3.3Å; R770-D772 IonicContact NH2-OD1 3.7Å; R770-D772 PolarHBondContact NH2-OD1 3.31Å; R770-D772 IonicContact NH2-OD2 3.68Å; R770-D772 PolarHBondContact NH2-OD2 3.21Å; R770-D772 PolarHBondContact O-N 3.19Å; D772-R774 PolarHBondContact O-N 3.21Å; D772-R774 VanDerWaalsContact O-N 3.14Å
773	E	65.9	Low	65.5	Low	93 Å²	93	74.4 Å²	74.4	44%	0.435	37%	0.372	S	S	.	.	S	Bend	trans	-65.4	-14.7	178.3	-90.3	175.2	-116.3	0	0	113.5	K769 R770	K769-E773 IonicContact NZ-OE2 3.21Å; K769-E773 PolarHBondContact NZ-OE2 3.11Å; R770-E773 HydrophobicContact CB-CG 4.1Å; R770-E773 PolarHBondContact N-OE1 3.1Å; R770-E773 PolarHBondContact O-N 3.1Å
774	R	60.6	Low	63.3	Low	90 Å²	90	72.8 Å²	72.8	34%	0.34	37%	0.367	S	S	.	.	S	Bend	trans	-116	124.8	175.2	-175	172.8	173.3	-162.3	12.5	109.3	D772 L776 F807 E812	D772-R774 PolarHBondContact O-N 3.21Å; D772-R774 VanDerWaalsContact O-N 3.14Å; R774-L776 VanDerWaalsContact C-N 3.27Å; R774-L776 HydrophobicContact CB-CD2 4.47Å; R774-L776 HydrophobicContact CB-CG 4.2Å; R774-L776 VanDerWaalsContact CD-CD2 3.43Å; R774-L776 HydrophobicContact CG-CD2 3.78Å; R774-L776 HydrophobicContact CG-CG 3.91Å; R774-L776 VanDerWaalsContact CZ-CD2 3.5Å; R774-L776 VanDerWaalsContact NE-CD2 3.33Å; R774-L776 PolarHBondContact O-N 2.97Å; R774-F807 HydrophobicContact CB-CZ 4.31Å; R774-E812 IonicContact CZ-OE1 3.59Å; R774-E812 IonicContact NH1-OE1 2.65Å; R774-E812 PolarHBondContact NH1-OE1 3.27Å; R774-E812 IonicContact NH2-OE1 3.21Å; R774-E812 PolarHBondContact NH2-OE1 3.31Å
775	V	48	Very low	61.5	Low	138 Å²	138	69 Å²	69	84%	0.836	34%	0.343	S	S	*	.			trans	-67.1	96.9	159.6	-177.8	0	0	0	0	106.4
776	L	48.3	Very low	59.4	Low	21 Å²	21	67.2 Å²	67.2	11%	0.11	33%	0.325	C	S	.	.			trans	-88.7	129.3	169	-67.5	167.6	0	0	0	106.8	R774 Y778 V780 Y805	R774-L776 VanDerWaalsContact C-N 3.27Å; R774-L776 HydrophobicContact CB-CD2 4.47Å; R774-L776 HydrophobicContact CB-CG 4.2Å; R774-L776 VanDerWaalsContact CD-CD2 3.43Å; R774-L776 HydrophobicContact CG-CD2 3.78Å; R774-L776 HydrophobicContact CG-CG 3.91Å; R774-L776 VanDerWaalsContact CZ-CD2 3.5Å; R774-L776 VanDerWaalsContact NE-CD2 3.33Å; R774-L776 PolarHBondContact O-N 2.97Å; L776-Y778 HydrophobicContact CB-CD1 4.34Å; L776-Y778 HydrophobicContact CB-CD2 4.34Å; L776-Y778 HydrophobicContact CB-CE1 4.37Å; L776-Y778 HydrophobicContact CB-CE2 4.36Å; L776-Y778 HydrophobicContact CB-CG 4.33Å; L776-Y778 WeakPolarHBondContact CB-O 3.1Å; L776-Y778 HydrophobicContact CD1-CD2 4.44Å; L776-Y778 HydrophobicContact CD1-CE2 3.84Å; L776-Y778 HydrophobicContact CD2-CE1 3.79Å; L776-Y778 HydrophobicContact CD2-CE2 4.22Å; L776-Y778 HydrophobicContact CG-CE2 4.37Å; L776-Y778 PolarHBondContact O-N 3.01Å; L776-V780 HydrophobicContact CD1-CG2 3.43Å; L776-V780 VanDerWaalsContact CD1-CG2 3.43Å; L776-Y805 HydrophobicContact CD1-CE2 4.28Å
777	D	41.7	Very low	57.1	Low	153 Å²	153	68.7 Å²	68.7	82%	0.818	34%	0.34	S	S	*	.	S	Bend	trans	-59.9	-30.8	174.4	-56.7	-61.4	0	0	0	110.4
778	Y	45	Very low	55.4	Low	98 Å²	98	69.4 Å²	69.4	38%	0.384	34%	0.338	S	S	.	.	S	Bend	trans	-84.3	119.2	164.8	61.8	-88.9	0	0	0	112.3	L776 V780 Y805 M886	L776-Y778 HydrophobicContact CB-CD1 4.34Å; L776-Y778 HydrophobicContact CB-CD2 4.34Å; L776-Y778 HydrophobicContact CB-CE1 4.37Å; L776-Y778 HydrophobicContact CB-CE2 4.36Å; L776-Y778 HydrophobicContact CB-CG 4.33Å; L776-Y778 WeakPolarHBondContact CB-O 3.1Å; L776-Y778 HydrophobicContact CD1-CD2 4.44Å; L776-Y778 HydrophobicContact CD1-CE2 3.84Å; L776-Y778 HydrophobicContact CD2-CE1 3.79Å; L776-Y778 HydrophobicContact CD2-CE2 4.22Å; L776-Y778 HydrophobicContact CG-CE2 4.37Å; L776-Y778 PolarHBondContact O-N 3.01Å; Y778-V780 HydrophobicContact CD2-CG2 4.06Å; Y778-V780 HydrophobicContact CE2-CG2 3.93Å; Y778-V780 PolarHBondContact O-N 2.75Å; Y778-Y805 PolarHBondContact OH-OH 2.8Å; Y778-M886 HydrophobicContact CD2-CE 4.24Å; Y778-M886 HydrophobicContact CD2-SD 4.26Å; Y778-M886 HydrophobicContact CG-SD 4.41Å
779	K	46.5	Very low	54.2	Low	192 Å²	192	71 Å²	71	84%	0.835	35%	0.345	S	S	*	.			trans	-70.2	109.7	170.3	-70.7	179.4	-179.2	173.9	0	110.2	M886	K779-M886 WeakPolarHBondContact O-CE 3.44Å
780	V	49.7	Very low	53.9	Low	19 Å²	19	70 Å²	70	12%	0.115	34%	0.343	C	S	.	.			trans	-65.4	139.8	174.2	-164.6	0	0	0	0	109.9	L776 Y778 W782 T785 Y795	L776-V780 HydrophobicContact CD1-CG2 3.43Å; L776-V780 VanDerWaalsContact CD1-CG2 3.43Å; Y778-V780 HydrophobicContact CD2-CG2 4.06Å; Y778-V780 HydrophobicContact CE2-CG2 3.93Å; Y778-V780 PolarHBondContact O-N 2.75Å; V780-W782 PolarHBondContact O-N 3.45Å; V780-T785 HydrophobicContact CB-CG2 4.47Å; V780-T785 HydrophobicContact CG1-CG2 3.48Å; V780-T785 VanDerWaalsContact CG1-CG2 3.48Å; V780-Y795 HydrophobicContact CG1-CD1 3.73Å; V780-Y795 HydrophobicContact CG1-CE1 3.88Å; V780-Y795 HydrophobicContact CG1-CG 4.11Å
781	P	46.3	Very low	54.3	Low	8 Å²	8	68.8 Å²	68.8	5%	0.052	34%	0.339	C	S	.	.			trans	-54.4	108	179	-31.7	40.5	0	0	0	112.9	E783 I784 T785 Y795 I882	P781-E783 VanDerWaalsContact CA-OE2 3.27Å; P781-E783 WeakPolarHBondContact CA-OE2 3.2Å; P781-E783 VanDerWaalsContact CB-OE2 3.31Å; P781-E783 WeakPolarHBondContact CB-OE2 3.25Å; P781-E783 PolarHBondContact O-N 2.96Å; P781-I784 PolarHBondContact O-N 2.01Å; P781-T785 PolarHBondContact O-N 2.87Å; P781-T785 PolarHBondContact O-OG1 2.83Å; P781-Y795 VanDerWaalsContact CD-CE2 3.42Å; P781-Y795 VanDerWaalsContact CD-CZ 3.45Å; P781-Y795 HydrophobicContact CG-CD2 4.35Å; P781-Y795 HydrophobicContact CG-CE2 3.59Å; P781-I882 HydrophobicContact CB-CD1 4.24Å; P781-I882 HydrophobicContact CG-CD1 3.55Å; P781-I882 HydrophobicContact CG-CG2 3.97Å
782	W	45.4	Very low	55	Low	81 Å²	81	68.3 Å²	68.3	31%	0.307	34%	0.337	S	S	.	.	H	α-helix	trans	-65.6	-20.6	-175.3	59.7	-74.7	0	0	0	111.5	G706 I707 V780 I784 G786	G706-W782 VanDerWaalsContact CA-CH2 3.43Å; G706-W782 VanDerWaalsContact CA-CZ3 3.5Å; I707-W782 HydrophobicContact CB-CH2 3.99Å; I707-W782 WeakPolarHBondContact O-CH2 3.46Å; I707-W782 WeakPolarHBondContact O-CZ3 3.15Å; V780-W782 PolarHBondContact O-N 3.45Å; W782-I784 VanDerWaalsContact C-N 3.34Å; W782-G786 WeakPolarHBondContact O-CA 3.19Å; W782-G786 PolarHBondContact O-N 3.35Å; W782-G786 VanDerWaalsContact O-N 3.09Å
783	E	41.9	Very low	56	Low	76 Å²	76	65.4 Å²	65.4	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-35.6	169.3	-54.4	85.8	167.7	0	0	112.7	P709 P781	P709-E783 WeakPolarHBondContact CB-O 3.49Å; P709-E783 WeakPolarHBondContact CG-O 3.32Å; P781-E783 VanDerWaalsContact CA-OE2 3.27Å; P781-E783 WeakPolarHBondContact CA-OE2 3.2Å; P781-E783 VanDerWaalsContact CB-OE2 3.31Å; P781-E783 WeakPolarHBondContact CB-OE2 3.25Å; P781-E783 PolarHBondContact O-N 2.96Å
784	I	47.6	Very low	56.8	Low	55 Å²	55	61.9 Å²	61.9	28%	0.282	31%	0.305	S	S	.	.	H	α-helix	trans	-100.3	-43.8	-175.8	-59.6	177.4	0	0	0	110.5	P781 W782 R793 P878	P781-I784 PolarHBondContact O-N 2.01Å; W782-I784 VanDerWaalsContact C-N 3.34Å; I784-R793 HydrophobicContact CG2-CB 4.25Å; I784-R793 HydrophobicContact CG2-CG 4.22Å; I784-R793 VanDerWaalsContact O-CD 3.28Å; I784-R793 WeakPolarHBondContact O-CD 3.46Å; I784-R793 PolarHBondContact O-NE 3.09Å; I784-P878 HydrophobicContact CD1-CG 4.45Å
785	T	51.3	Low	57.3	Low	7 Å²	7	58.6 Å²	58.6	4%	0.043	29%	0.292	C	S	.	.	H	α-helix	trans	-95.5	-16.1	-170.9	57.2	0	0	0	0	115.2	W771 V780 P781 H789	W771-T785 HydrophobicContact CB-CG2 4.43Å; W771-T785 HydrophobicContact CD2-CG2 3.71Å; W771-T785 HydrophobicContact CE3-CG2 3.86Å; W771-T785 HydrophobicContact CG-CG2 3.96Å; W771-T785 HydrophobicContact CZ3-CG2 4.39Å; V780-T785 HydrophobicContact CB-CG2 4.47Å; V780-T785 HydrophobicContact CG1-CG2 3.48Å; V780-T785 VanDerWaalsContact CG1-CG2 3.48Å; P781-T785 PolarHBondContact O-N 2.87Å; P781-T785 PolarHBondContact O-OG1 2.83Å; T785-H789 VanDerWaalsContact C-CE1 3.41Å; T785-H789 PolarHBondContact O-CE1 2.84Å; T785-H789 PolarHBondContact O-ND1 2.84Å
786	G	47.3	Very low	58.1	Low	6 Å²	6	54.2 Å²	54.2	6%	0.062	28%	0.275	C	S	.	.			trans	60.6	113.5	169.9	0	0	0	0	0	114.7	W782 L788 H789	W782-G786 WeakPolarHBondContact O-CA 3.19Å; W782-G786 PolarHBondContact O-N 3.35Å; W782-G786 VanDerWaalsContact O-N 3.09Å; G786-L788 PolarHBondContact O-N 3Å; G786-H789 PolarHBondContact O-N 3.16Å
787	P	43.4	Very low	58.9	Low	81 Å²	81	55.4 Å²	55.4	53%	0.526	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	9.4	-168.2	28.4	-37.3	0	0	0	116.3	R770	R770-P787 PolarHBondContact NH2-O 2.94Å
788	L	53.1	Low	60.4	Low	106 Å²	106	50.2 Å²	50.2	56%	0.555	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-135.8	1.3	-177.1	-64.5	175.4	0	0	0	114.5	Y38 R770 G786	Y38-L788 HydrophobicContact CE2-CD2 4.46Å; R770-L788 PolarHBondContact NH1-O 3.13Å; R770-L788 VanDerWaalsContact NH1-O 3.16Å; G786-L788 PolarHBondContact O-N 3Å
789	H	62.2	Low	62.1	Low	38 Å²	38	51.8 Å²	51.8	18%	0.176	26%	0.26	C	S	.	.			trans	-125.5	159.5	-172.3	76.6	41.9	0	0	0	115.1	R770 W771 T785 G786 Y791 R793	R770-H789 WeakPolarHBondContact CA-O 3.42Å; W771-H789 AromaticContact CD1-ND1 3.75Å; W771-H789 VanDerWaalsContact CD1-O 3.27Å; W771-H789 PolarHBondContact N-O 2.89Å; T785-H789 VanDerWaalsContact C-CE1 3.41Å; T785-H789 PolarHBondContact O-CE1 2.84Å; T785-H789 PolarHBondContact O-ND1 2.84Å; G786-H789 PolarHBondContact O-N 3.16Å; H789-Y791 HydrophobicContact CB-CD2 3.72Å; H789-Y791 HydrophobicContact CB-CE2 3.7Å; H789-Y791 HydrophobicContact CB-CG 4.37Å; H789-Y791 AromaticContact CD2-CD2 3.21Å; H789-Y791 WeakPolarHBondContact CD2-CD2 3.34Å; H789-Y791 AromaticContact CD2-CE2 3.56Å; H789-Y791 AromaticContact CE1-CD2 3.82Å; H789-Y791 AromaticContact CG-CD2 3.35Å; H789-Y791 AromaticContact CG-CE2 3.76Å; H789-Y791 AromaticContact ND1-CD2 3.74Å; H789-Y791 AromaticContact NE2-CD2 3.5Å; H789-Y791 WeakPolarHBondContact NE2-CD2 3.18Å; H789-R793 PolarHBondContact CE1-NH2 3.31Å; H789-R793 PolarHBondContact NE2-NH2 3.49Å
790	N	78.4	Confident	63.8	Low	45 Å²	45	47.1 Å²	47.1	24%	0.241	24%	0.241	C	C	.	.			trans	-115.8	25.5	177	66.6	-30.2	0	0	0	112.8	T760 C768 K769 R770	T760-N790 WeakPolarHBondContact CG2-OD1 3.36Å; C768-N790 HydrophobicContact CB-CB 4.09Å; C768-N790 WeakPolarHBondContact CB-O 2.95Å; C768-N790 WeakPolarHBondContact O-CB 3.29Å; C768-N790 PolarHBondContact O-ND2 3.17Å; K769-N790 VanDerWaalsContact C-CB 3.44Å; K769-N790 VanDerWaalsContact O-CB 3.28Å; K769-N790 WeakPolarHBondContact O-CB 3.42Å; R770-N790 HydrophobicContact CG-CB 4.2Å
791	Y	82	Confident	65.6	Low	55 Å²	55	46.2 Å²	46.2	22%	0.216	24%	0.235	C	C	.	.			trans	-69.6	143.9	178	-54.8	-48.4	0	0	0	111.6	F758 R759 T760 W771 H789	F758-Y791 VanDerWaalsContact C-CD1 3.49Å; F758-Y791 HydrophobicContact CB-CD1 4.19Å; F758-Y791 HydrophobicContact CB-CE1 3.98Å; F758-Y791 HydrophobicContact CD1-CD2 4.31Å; F758-Y791 HydrophobicContact CD1-CE1 4.15Å; F758-Y791 AromaticContact CD1-CE2 3.86Å; F758-Y791 HydrophobicContact CD1-CE2 3.86Å; F758-Y791 AromaticContact CD1-CZ 3.78Å; F758-Y791 HydrophobicContact CE1-CE2 4.41Å; F758-Y791 VanDerWaalsContact O-CD1 3.23Å; F758-Y791 WeakPolarHBondContact O-CD1 3.28Å; F758-Y791 WeakPolarHBondContact O-CE1 3.45Å; R759-Y791 CarbonylContact O-C 3.51Å; R759-Y791 VanDerWaalsContact O-CA 3.3Å; R759-Y791 WeakPolarHBondContact O-CA 2.87Å; T760-Y791 HydrophobicContact CG2-CD1 3.46Å; T760-Y791 VanDerWaalsContact CG2-CD1 3.46Å; T760-Y791 HydrophobicContact CG2-CE1 3.74Å; W771-Y791 PolarHBondContact NE1-O 3.01Å; H789-Y791 HydrophobicContact CB-CD2 3.72Å; H789-Y791 HydrophobicContact CB-CE2 3.7Å; H789-Y791 HydrophobicContact CB-CG 4.37Å; H789-Y791 AromaticContact CD2-CD2 3.21Å; H789-Y791 WeakPolarHBondContact CD2-CD2 3.34Å; H789-Y791 AromaticContact CD2-CE2 3.56Å; H789-Y791 AromaticContact CE1-CD2 3.82Å; H789-Y791 AromaticContact CG-CD2 3.35Å; H789-Y791 AromaticContact CG-CE2 3.76Å; H789-Y791 AromaticContact ND1-CD2 3.74Å; H789-Y791 AromaticContact NE2-CD2 3.5Å; H789-Y791 WeakPolarHBondContact NE2-CD2 3.18Å
792	C	87.8	Confident	67.7	Low	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.233	C	C	.	.			trans	-58.1	136	174.2	-58.4	0	0	0	0	111.9	Y755 R759 P802 W803 C816	Y755-C792 HydrophobicContact CD1-CB 4.26Å; Y755-C792 WeakPolarHBondContact CD1-O 3.35Å; Y755-C792 HydrophobicContact CE1-CB 4.11Å; R759-C792 PolarHBondContact O-N 2.93Å; R759-C792 PolarHBondContact O-SG 3.44Å; C792-P802 HydrophobicContact CB-CB 4.32Å; C792-W803 WeakPolarHBondContact CA-O 2.98Å; C792-C816 HydrophobicContact CB-CB 3.62Å; C792-C816 WeakPolarHBondContact CB-SG 3.07Å; C792-C816 WeakPolarHBondContact SG-CB 3.47Å; C792-C816 CovalentContact SG-SG 2.02Å; C792-C816 PolarHBondContact SG-SG 2.76Å
793	R	84.5	Confident	69.9	Low	11 Å²	11	42.3 Å²	42.3	4%	0.042	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-142.8	149.8	178.8	-64.6	-65	176.4	-107.1	-1.5	110.1	G757 W771 I784 H789 Y795 W803	G757-R793 PolarHBondContact O-NH1 3.21Å; W771-R793 HydrophobicContact CH2-CB 4.3Å; W771-R793 HydrophobicContact CZ2-CB 3.78Å; W771-R793 HydrophobicContact CZ2-CG 4.15Å; I784-R793 HydrophobicContact CG2-CB 4.25Å; I784-R793 HydrophobicContact CG2-CG 4.22Å; I784-R793 VanDerWaalsContact O-CD 3.28Å; I784-R793 WeakPolarHBondContact O-CD 3.46Å; I784-R793 PolarHBondContact O-NE 3.09Å; H789-R793 PolarHBondContact CE1-NH2 3.31Å; H789-R793 PolarHBondContact NE2-NH2 3.49Å; R793-Y795 PolarHBondContact O-N 3.07Å; R793-W803 PolarHBondContact N-O 3.42Å; R793-W803 VanDerWaalsContact O-CD1 3.31Å; R793-W803 PolarHBondContact O-N 3.24Å
794	N	81.4	Confident	72.1	Confident	19 Å²	19	38.7 Å²	38.7	10%	0.102	20%	0.203	C	C	.	.			trans	-101.8	56.2	176.9	-164.2	11.2	0	0	0	111.1	I750 Q751 A753 Y798 G801 P802	I750-N794 PolarHBondContact O-ND2 2.02Å; Q751-N794 PolarHBondContact O-ND2 3.2Å; A753-N794 WeakPolarHBondContact O-CB 3.44Å; A753-N794 PolarHBondContact O-ND2 2.93Å; N794-Y798 PolarHBondContact OD1-N 3.36Å; N794-G801 PolarHBondContact OD1-O 3.23Å; N794-P802 HydrophobicContact CB-CB 4.35Å; N794-P802 HydrophobicContact CB-CG 4.09Å
795	Y	71.3	Confident	74	Confident	22 Å²	22	36.2 Å²	36.2	9%	0.086	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	130.3	175.8	178.2	-111.5	0	0	0	109.8	V780 P781 R793 W803 I882 M886	V780-Y795 HydrophobicContact CG1-CD1 3.73Å; V780-Y795 HydrophobicContact CG1-CE1 3.88Å; V780-Y795 HydrophobicContact CG1-CG 4.11Å; P781-Y795 VanDerWaalsContact CD-CE2 3.42Å; P781-Y795 VanDerWaalsContact CD-CZ 3.45Å; P781-Y795 HydrophobicContact CG-CD2 4.35Å; P781-Y795 HydrophobicContact CG-CE2 3.59Å; R793-Y795 PolarHBondContact O-N 3.07Å; Y795-W803 PolarHBondContact O-NE1 3.17Å; Y795-I882 WeakPolarHBondContact OH-CG2 3.46Å; Y795-M886 WeakPolarHBondContact OH-CE 3.11Å; Y795-M886 PolarHBondContact OH-SD 3.33Å
796	G	64.9	Low	75.6	Confident	45 Å²	45	36.3 Å²	36.3	46%	0.464	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	35.7	178.8	0	0	0	0	0	115.1	Y798 S879	G796-Y798 VanDerWaalsContact C-N 3.28Å; G796-Y798 PolarHBondContact O-N 3.21Å; G796-Y798 VanDerWaalsContact O-N 3.11Å; G796-S879 PolarHBondContact N-OG 3.4Å; G796-S879 VanDerWaalsContact N-OG 3.14Å
797	E	64.6	Low	76.6	Confident	46 Å²	46	40.3 Å²	40.3	22%	0.215	21%	0.206	C	C	.	.			trans	46.8	45.2	171.5	-63.5	173.2	-152	0	0	114.1	E799 D877 K880	E797-E799 PolarHBondContact O-N 2.87Å; E797-D877 VanDerWaalsContact CG-OD2 3.28Å; E797-D877 WeakPolarHBondContact CG-OD2 3.47Å; E797-K880 WeakPolarHBondContact OE1-CG 3.29Å; E797-K880 IonicContact OE1-NZ 2.77Å; E797-K880 PolarHBondContact OE1-NZ 3.3Å; E797-K880 IonicContact OE2-NZ 3.49Å; E797-K880 PolarHBondContact OE2-NZ 2.74Å
798	Y	74.8	Confident	77.9	Confident	44 Å²	44	39.1 Å²	39.1	17%	0.173	20%	0.195	C	C	.	.			trans	-65.4	133.9	-166.6	-173.4	-130.6	0	0	0	111	N794 G796 H800 G801 W803	N794-Y798 PolarHBondContact OD1-N 3.36Å; G796-Y798 VanDerWaalsContact C-N 3.28Å; G796-Y798 PolarHBondContact O-N 3.21Å; G796-Y798 VanDerWaalsContact O-N 3.11Å; Y798-H800 HydrophobicContact CD1-CB 4.08Å; Y798-H800 HydrophobicContact CE1-CB 3.8Å; Y798-H800 AromaticContact CZ-CD2 3.88Å; Y798-H800 PolarHBondContact O-N 3.31Å; Y798-G801 WeakPolarHBondContact CD1-O 3.26Å; Y798-G801 PolarHBondContact O-N 2.69Å; Y798-W803 VanDerWaalsContact CB-CD1 3.47Å; Y798-W803 HydrophobicContact CD1-CB 3.78Å; Y798-W803 AromaticContact CD1-CD1 3.5Å; Y798-W803 VanDerWaalsContact CD1-CD1 3.5Å; Y798-W803 AromaticContact CD1-CG 3.74Å; Y798-W803 HydrophobicContact CD1-CG 3.74Å; Y798-W803 HydrophobicContact CE1-CB 4.04Å; Y798-W803 HydrophobicContact CE1-CG 4.28Å; Y798-W803 AromaticContact CG-CD1 3.71Å; Y798-W803 HydrophobicContact CG-CG 4.29Å
799	E	79.7	Confident	78.4	Confident	132 Å²	132	42.7 Å²	42.7	62%	0.617	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-10.8	-174.7	-55	-171.4	149.7	0	0	114.5	E797	E797-E799 PolarHBondContact O-N 2.87Å
800	H	83.1	Confident	78.6	Confident	93 Å²	93	44.9 Å²	44.9	43%	0.431	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	13.9	177.8	-50.2	-20.6	0	0	0	112.2	Y798 A815	Y798-H800 HydrophobicContact CD1-CB 4.08Å; Y798-H800 HydrophobicContact CE1-CB 3.8Å; Y798-H800 AromaticContact CZ-CD2 3.88Å; Y798-H800 PolarHBondContact O-N 3.31Å; H800-A815 HydrophobicContact CB-CB 3.78Å; H800-A815 WeakPolarHBondContact O-CB 3.3Å
801	G	87	Confident	78.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.243	C	C	.	.			trans	74.9	-156.9	174.6	0	0	0	0	0	114.5	I750 N794 Y798 W803	I750-G801 WeakPolarHBondContact O-CA 3.28Å; N794-G801 PolarHBondContact OD1-O 3.23Å; Y798-G801 WeakPolarHBondContact CD1-O 3.26Å; Y798-G801 PolarHBondContact O-N 2.69Å; G801-W803 PolarHBondContact O-N 2.88Å
802	P	90.4	Very high	78.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-52.8	123.6	-177.1	-22.3	31	0	0	0	112.3	I745 Y755 C792 N794 C816 F817	I745-P802 HydrophobicContact CD1-CG 3.67Å; Y755-P802 HydrophobicContact CD1-CB 4.2Å; Y755-P802 HydrophobicContact CG-CB 4.33Å; Y755-P802 HydrophobicContact CG-CG 4.17Å; C792-P802 HydrophobicContact CB-CB 4.32Å; N794-P802 HydrophobicContact CB-CB 4.35Å; N794-P802 HydrophobicContact CB-CG 4.09Å; P802-C816 WeakPolarHBondContact O-CB 3.36Å; P802-C816 PolarHBondContact O-N 3.2Å; P802-F817 HydrophobicContact CB-CD2 4.12Å; P802-F817 HydrophobicContact CB-CE2 4.15Å; P802-F817 HydrophobicContact CG-CD2 4.18Å; P802-F817 HydrophobicContact CG-CE2 4.31Å
803	W	90.8	Very high	78	Confident	7 Å²	7	51.8 Å²	51.8	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	173.1	-171.4	62.3	-87.2	0	0	0	111.3	W771 C792 R793 Y795 Y798 G801 Y805 R813 E814	W771-W803 AromaticContact CH2-CD2 4Å; W771-W803 HydrophobicContact CH2-CD2 4Å; W771-W803 AromaticContact CH2-CE3 3.79Å; W771-W803 HydrophobicContact CH2-CE3 3.79Å; W771-W803 HydrophobicContact CH2-CH2 4.22Å; W771-W803 HydrophobicContact CH2-CZ2 4.37Å; W771-W803 AromaticContact CH2-CZ3 3.91Å; W771-W803 HydrophobicContact CH2-CZ3 3.91Å; W771-W803 WeakPolarHBondContact CH2-O 3.44Å; W771-W803 VanDerWaalsContact CZ2-O 3.29Å; W771-W803 WeakPolarHBondContact CZ2-O 3.03Å; W771-W803 HydrophobicContact CZ3-CD2 4.47Å; W771-W803 HydrophobicContact CZ3-CE3 4.03Å; W771-W803 AromaticContact CZ3-CH2 3.71Å; W771-W803 HydrophobicContact CZ3-CH2 3.71Å; W771-W803 HydrophobicContact CZ3-CZ2 4.14Å; W771-W803 AromaticContact CZ3-CZ3 3.63Å; W771-W803 HydrophobicContact CZ3-CZ3 3.63Å; C792-W803 WeakPolarHBondContact CA-O 2.98Å; R793-W803 PolarHBondContact N-O 3.42Å; R793-W803 VanDerWaalsContact O-CD1 3.31Å; R793-W803 PolarHBondContact O-N 3.24Å; Y795-W803 PolarHBondContact O-NE1 3.17Å; Y798-W803 VanDerWaalsContact CB-CD1 3.47Å; Y798-W803 HydrophobicContact CD1-CB 3.78Å; Y798-W803 AromaticContact CD1-CD1 3.5Å; Y798-W803 VanDerWaalsContact CD1-CD1 3.5Å; Y798-W803 AromaticContact CD1-CG 3.74Å; Y798-W803 HydrophobicContact CD1-CG 3.74Å; Y798-W803 HydrophobicContact CE1-CB 4.04Å; Y798-W803 HydrophobicContact CE1-CG 4.28Å; Y798-W803 AromaticContact CG-CD1 3.71Å; Y798-W803 HydrophobicContact CG-CG 4.29Å; G801-W803 PolarHBondContact O-N 2.88Å; W803-Y805 HydrophobicContact CH2-CE1 4.34Å; W803-Y805 HydrophobicContact CH2-CE2 4.28Å; W803-Y805 AromaticContact CH2-CZ 3.93Å; W803-Y805 HydrophobicContact CZ3-CD1 4.21Å; W803-Y805 HydrophobicContact CZ3-CD2 4.33Å; W803-Y805 AromaticContact CZ3-CE1 3.92Å; W803-Y805 HydrophobicContact CZ3-CE1 3.92Å; W803-Y805 HydrophobicContact CZ3-CE2 4.05Å; W803-Y805 HydrophobicContact CZ3-CG 4.4Å; W803-Y805 AromaticContact CZ3-CZ 3.83Å; W803-R813 HydrophobicContact CE3-CB 3.54Å; W803-R813 HydrophobicContact CE3-CG 4.17Å; W803-R813 HydrophobicContact CZ3-CB 3.65Å; W803-R813 VanDerWaalsContact CZ3-CD 3.46Å; W803-R813 HydrophobicContact CZ3-CG 4.2Å; W803-E814 VanDerWaalsContact CA-O 3.31Å; W803-E814 WeakPolarHBondContact CA-O 3.44Å; W803-E814 WeakPolarHBondContact CB-O 3.29Å
804	C	89.4	Confident	78.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	163.8	169.9	66.5	0	0	0	0	111.6	C768 W771 R813 E814	C768-C804 WeakPolarHBondContact CA-SG 3.44Å; C768-C804 HydrophobicContact CB-CB 3.5Å; C768-C804 WeakPolarHBondContact CB-SG 3.28Å; C768-C804 WeakPolarHBondContact SG-CB 3.28Å; C768-C804 CovalentContact SG-SG 2.03Å; C768-C804 PolarHBondContact SG-SG 3.31Å; W771-C804 HydrophobicContact CZ2-CB 4.33Å; C804-R813 VanDerWaalsContact O-CA 3.27Å; C804-R813 WeakPolarHBondContact O-CA 3.34Å; C804-E814 PolarHBondContact N-O 3.49Å; C804-E814 PolarHBondContact O-N 2.89Å
805	Y	86.5	Confident	78.8	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	149.2	170.8	-70.6	-67.6	0	0	0	111.5	C768 K769 W771 L776 Y778 W803 F807 E812 R813	C768-Y805 CarbonylContact C-O 3.55Å; C768-Y805 WeakPolarHBondContact CA-O 3.34Å; K769-Y805 PolarHBondContact N-O 3.33Å; W771-Y805 AromaticContact CE3-CD2 3.87Å; W771-Y805 HydrophobicContact CE3-CD2 3.87Å; W771-Y805 AromaticContact CE3-CE2 3.73Å; W771-Y805 HydrophobicContact CE3-CE2 3.73Å; W771-Y805 HydrophobicContact CZ3-CD2 4.06Å; W771-Y805 AromaticContact CZ3-CE2 3.87Å; W771-Y805 HydrophobicContact CZ3-CE2 3.87Å; L776-Y805 HydrophobicContact CD1-CE2 4.28Å; Y778-Y805 PolarHBondContact OH-OH 2.8Å; W803-Y805 HydrophobicContact CH2-CE1 4.34Å; W803-Y805 HydrophobicContact CH2-CE2 4.28Å; W803-Y805 AromaticContact CH2-CZ 3.93Å; W803-Y805 HydrophobicContact CZ3-CD1 4.21Å; W803-Y805 HydrophobicContact CZ3-CD2 4.33Å; W803-Y805 AromaticContact CZ3-CE1 3.92Å; W803-Y805 HydrophobicContact CZ3-CE1 3.92Å; W803-Y805 HydrophobicContact CZ3-CE2 4.05Å; W803-Y805 HydrophobicContact CZ3-CG 4.4Å; W803-Y805 AromaticContact CZ3-CZ 3.83Å; Y805-F807 AromaticContact CD1-CE1 3.78Å; Y805-F807 HydrophobicContact CD1-CE1 3.78Å; Y805-F807 AromaticContact CD1-CZ 3.74Å; Y805-F807 HydrophobicContact CD1-CZ 3.74Å; Y805-F807 HydrophobicContact CE1-CZ 4.48Å; Y805-F807 HydrophobicContact CG-CE1 4.32Å; Y805-F807 AromaticContact CG-CZ 3.86Å; Y805-F807 HydrophobicContact CG-CZ 3.86Å; Y805-E812 WeakPolarHBondContact CA-O 3.45Å; Y805-E812 HydrophobicContact CD1-CG 4.33Å; Y805-E812 HydrophobicContact CE1-CG 4.33Å; Y805-R813 HydrophobicContact CD1-CB 4.28Å
806	V	84.8	Confident	79.9	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.048	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	-45.7	-175.3	-165.4	0	0	0	0	112.4	T762 K766 D808 E812 E814	T762-V806 HydrophobicContact CG2-CG2 3.57Å; K766-V806 HydrophobicContact CB-CG1 3.66Å; K766-V806 HydrophobicContact CD-CG1 3.66Å; K766-V806 HydrophobicContact CG-CG1 4.28Å; V806-D808 HydrophobicContact CG1-CB 4.3Å; V806-E812 PolarHBondContact N-O 2.76Å; V806-E814 HydrophobicContact CG2-CB 3.77Å
807	F	69.2	Low	81.3	Confident	91 Å²	91	48.6 Å²	48.6	40%	0.399	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54.6	48.4	-178.3	-49	-47.1	0	0	0	114.2	K769 R774 Y805 V811 E812	K769-F807 HydrophobicContact CB-CD2 4.48Å; K769-F807 HydrophobicContact CB-CE2 4.4Å; K769-F807 HydrophobicContact CG-CD2 3.83Å; K769-F807 HydrophobicContact CG-CE2 4.23Å; R774-F807 HydrophobicContact CB-CZ 4.31Å; Y805-F807 AromaticContact CD1-CE1 3.78Å; Y805-F807 HydrophobicContact CD1-CE1 3.78Å; Y805-F807 AromaticContact CD1-CZ 3.74Å; Y805-F807 HydrophobicContact CD1-CZ 3.74Å; Y805-F807 HydrophobicContact CE1-CZ 4.48Å; Y805-F807 HydrophobicContact CG-CE1 4.32Å; Y805-F807 AromaticContact CG-CZ 3.86Å; Y805-F807 HydrophobicContact CG-CZ 3.86Å; F807-V811 WeakPolarHBondContact CA-O 2.98Å; F807-V811 PolarHBondContact N-O 3.14Å; F807-E812 HydrophobicContact CD1-CG 4.31Å; F807-E812 HydrophobicContact CE1-CG 3.91Å; F807-E812 PolarHBondContact N-O 2.8Å
808	D	69.8	Low	82.7	Confident	55 Å²	55	49.8 Å²	49.8	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.8	173	-178.6	42	0	0	0	111.2	V806 G810 V811	V806-D808 HydrophobicContact CG1-CB 4.3Å; D808-G810 VanDerWaalsContact C-N 3.26Å; D808-G810 PolarHBondContact O-N 3.27Å; D808-G810 VanDerWaalsContact O-N 3.11Å; D808-V811 PolarHBondContact N-O 2.74Å; D808-V811 WeakPolarHBondContact O-CB 3.48Å; D808-V811 PolarHBondContact O-N 3.31Å
809	K	63.4	Low	83.4	Confident	182 Å²	182	50.5 Å²	50.5	79%	0.791	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	40.8	173.3	-62.6	164.6	-162.2	75.5	0	115	V811	K809-V811 VanDerWaalsContact C-N 3.29Å; K809-V811 PolarHBondContact O-N 2.94Å
810	G	67.4	Low	84	Confident	84 Å²	84	45 Å²	45	87%	0.866	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	-3.1	-179.7	0	0	0	0	0	115.2	D808 E812	D808-G810 VanDerWaalsContact C-N 3.26Å; D808-G810 PolarHBondContact O-N 3.27Å; D808-G810 VanDerWaalsContact O-N 3.11Å; G810-E812 PolarHBondContact O-N 2.76Å
811	V	69.3	Low	84.3	Confident	51 Å²	51	44.6 Å²	44.6	31%	0.309	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	102.5	169.4	-176.7	0	0	0	0	108.7	F807 D808 K809 R813 E814	F807-V811 WeakPolarHBondContact CA-O 2.98Å; F807-V811 PolarHBondContact N-O 3.14Å; D808-V811 PolarHBondContact N-O 2.74Å; D808-V811 WeakPolarHBondContact O-CB 3.48Å; D808-V811 PolarHBondContact O-N 3.31Å; K809-V811 VanDerWaalsContact C-N 3.29Å; K809-V811 PolarHBondContact O-N 2.94Å; V811-R813 WeakPolarHBondContact CG1-O 3.4Å; V811-E814 HydrophobicContact CG1-CB 4.22Å
812	E	79.5	Confident	84.2	Confident	90 Å²	90	54.8 Å²	54.8	42%	0.421	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-52.1	178.9	-170.6	-177.8	149.9	0	0	111.4	R774 Y805 V806 F807 G810	R774-E812 IonicContact CZ-OE1 3.59Å; R774-E812 IonicContact NH1-OE1 2.65Å; R774-E812 PolarHBondContact NH1-OE1 3.27Å; R774-E812 IonicContact NH2-OE1 3.21Å; R774-E812 PolarHBondContact NH2-OE1 3.31Å; Y805-E812 WeakPolarHBondContact CA-O 3.45Å; Y805-E812 HydrophobicContact CD1-CG 4.33Å; Y805-E812 HydrophobicContact CE1-CG 4.33Å; V806-E812 PolarHBondContact N-O 2.76Å; F807-E812 HydrophobicContact CD1-CG 4.31Å; F807-E812 HydrophobicContact CE1-CG 3.91Å; F807-E812 PolarHBondContact N-O 2.8Å; G810-E812 PolarHBondContact O-N 2.76Å
813	R	85.9	Confident	83.7	Confident	104 Å²	104	58.2 Å²	58.2	39%	0.392	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154	179.2	59.3	174.7	176.2	174.5	-1.3	111.5	W803 C804 Y805 V811	W803-R813 HydrophobicContact CE3-CB 3.54Å; W803-R813 HydrophobicContact CE3-CG 4.17Å; W803-R813 HydrophobicContact CZ3-CB 3.65Å; W803-R813 VanDerWaalsContact CZ3-CD 3.46Å; W803-R813 HydrophobicContact CZ3-CG 4.2Å; C804-R813 VanDerWaalsContact O-CA 3.27Å; C804-R813 WeakPolarHBondContact O-CA 3.34Å; Y805-R813 HydrophobicContact CD1-CB 4.28Å; V811-R813 WeakPolarHBondContact CG1-O 3.4Å
814	E	90.7	Very high	83.3	Confident	20 Å²	20	62 Å²	62	9%	0.093	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.1	178.8	-166.1	179.2	119.3	0	0	111.1	T762 T764 K766 W803 C804 V806 V811	T762-E814 WeakPolarHBondContact CB-OE1 3.47Å; T762-E814 HydrophobicContact CG2-CB 3.79Å; T762-E814 HydrophobicContact CG2-CG 4.26Å; T762-E814 PolarHBondContact OG1-OE1 3.05Å; T764-E814 WeakPolarHBondContact CB-OE1 3.27Å; T764-E814 WeakPolarHBondContact CG2-OE1 3.2Å; T764-E814 PolarHBondContact N-OE1 3.32Å; T764-E814 VanDerWaalsContact OG1-CD 3.32Å; T764-E814 PolarHBondContact OG1-OE1 2.96Å; T764-E814 PolarHBondContact OG1-OE2 2.93Å; K766-E814 WeakPolarHBondContact CE-OE2 3.31Å; K766-E814 IonicContact NZ-OE2 3.35Å; K766-E814 PolarHBondContact NZ-OE2 3.45Å; W803-E814 VanDerWaalsContact CA-O 3.31Å; W803-E814 WeakPolarHBondContact CA-O 3.44Å; W803-E814 WeakPolarHBondContact CB-O 3.29Å; C804-E814 PolarHBondContact N-O 3.49Å; C804-E814 PolarHBondContact O-N 2.89Å; V806-E814 HydrophobicContact CG2-CB 3.77Å; V811-E814 HydrophobicContact CG1-CB 4.22Å
815	A	93.3	Very high	83	Confident	6 Å²	6	66.8 Å²	66.8	5%	0.05	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	145.2	173.9	0	0	0	0	0	111.9	K763 H800	K763-A815 HydrophobicContact CD-CB 4.2Å; K763-A815 WeakPolarHBondContact CG-O 3.27Å; K763-A815 PolarHBondContact N-O 3.48Å; H800-A815 HydrophobicContact CB-CB 3.78Å; H800-A815 WeakPolarHBondContact O-CB 3.3Å
816	C	94.2	Very high	83	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.378	C	S	.	.	S	Bend	trans	-90.4	-25.3	-177.9	-65.9	0	0	0	0	114.6	R759 K763 C792 P802	R759-C816 VanDerWaalsContact CZ-O 3.24Å; R759-C816 PolarHBondContact NE-O 2.93Å; R759-C816 PolarHBondContact NH2-O 3.47Å; K763-C816 PolarHBondContact N-O 3.06Å; C792-C816 HydrophobicContact CB-CB 3.62Å; C792-C816 WeakPolarHBondContact CB-SG 3.07Å; C792-C816 WeakPolarHBondContact SG-CB 3.47Å; C792-C816 CovalentContact SG-SG 2.02Å; C792-C816 PolarHBondContact SG-SG 2.76Å; P802-C816 WeakPolarHBondContact O-CB 3.36Å; P802-C816 PolarHBondContact O-N 3.2Å
817	F	94	Very high	83.1	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.018	39%	0.393	C	S	.	.	S	Bend	trans	-118.3	159.4	-179.7	-61.3	-83.7	0	0	0	110.3	I739 E740 I745 Y755 R759 K763 P802	I739-F817 HydrophobicContact CG2-CD1 3.72Å; I739-F817 HydrophobicContact CG2-CD2 4.23Å; I739-F817 HydrophobicContact CG2-CE1 3.42Å; I739-F817 VanDerWaalsContact CG2-CE1 3.42Å; I739-F817 HydrophobicContact CG2-CE2 3.97Å; I739-F817 HydrophobicContact CG2-CG 4.11Å; I739-F817 HydrophobicContact CG2-CZ 3.55Å; E740-F817 WeakPolarHBondContact OE2-CE1 3.34Å; I745-F817 HydrophobicContact CD1-CB 3.9Å; I745-F817 HydrophobicContact CD1-CD2 3.67Å; I745-F817 HydrophobicContact CD1-CE2 4.43Å; I745-F817 HydrophobicContact CD1-CG 3.89Å; I745-F817 HydrophobicContact CG1-CB 4.02Å; I745-F817 HydrophobicContact CG1-CD2 4.4Å; I745-F817 HydrophobicContact CG1-CG 4.15Å; Y755-F817 HydrophobicContact CD1-CE2 4.08Å; Y755-F817 AromaticContact CD2-CE2 3.9Å; Y755-F817 HydrophobicContact CD2-CE2 3.9Å; Y755-F817 AromaticContact CD2-CZ 3.82Å; Y755-F817 HydrophobicContact CD2-CZ 3.82Å; Y755-F817 HydrophobicContact CE1-CE2 4.17Å; Y755-F817 HydrophobicContact CE1-CZ 4.26Å; Y755-F817 AromaticContact CE2-CE2 3.99Å; Y755-F817 HydrophobicContact CE2-CE2 3.99Å; Y755-F817 AromaticContact CE2-CZ 3.51Å; Y755-F817 HydrophobicContact CE2-CZ 3.51Å; Y755-F817 AromaticContact CG-CE2 3.95Å; Y755-F817 HydrophobicContact CG-CE2 3.95Å; Y755-F817 HydrophobicContact CG-CZ 4.32Å; Y755-F817 AromaticContact CZ-CZ 3.75Å; R759-F817 HydrophobicContact CB-CZ 4.46Å; R759-F817 VanDerWaalsContact NH1-CE1 3.26Å; K763-F817 VanDerWaalsContact CD-O 3.28Å; K763-F817 WeakPolarHBondContact CD-O 3.4Å; P802-F817 HydrophobicContact CB-CD2 4.12Å; P802-F817 HydrophobicContact CB-CE2 4.15Å; P802-F817 HydrophobicContact CG-CD2 4.18Å; P802-F817 HydrophobicContact CG-CE2 4.31Å
818	D	92.6	Very high	83.7	Confident	70 Å²	70	73 Å²	73	37%	0.374	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	162.4	166.4	-82.6	-59.9	0	0	0	111.7	C744 I745 K763	C744-D818 CarbonylContact C-O 3.6Å; C744-D818 WeakPolarHBondContact CA-O 3.47Å; C744-D818 VanDerWaalsContact CB-O 3.23Å; C744-D818 WeakPolarHBondContact CB-O 3.35Å; I745-D818 PolarHBondContact N-O 2.92Å; K763-D818 WeakPolarHBondContact CD-OD1 3.31Å; K763-D818 WeakPolarHBondContact CE-OD1 3.44Å; K763-D818 IonicContact NZ-OD1 2.66Å; K763-D818 PolarHBondContact NZ-OD1 2.91Å
819	V	91.2	Very high	84.3	Confident	60 Å²	60	71.6 Å²	71.6	36%	0.364	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130.6	168.2	-163.9	0	0	0	0	108	N747 I750	N747-V819 HydrophobicContact CB-CG1 3.68Å; N747-V819 WeakPolarHBondContact OD1-CG1 3.3Å; I750-V819 HydrophobicContact CD1-CG1 4.49Å; I750-V819 HydrophobicContact CD1-CG2 3.81Å
820	C	91.7	Very high	84.7	Confident	16 Å²	16	68.4 Å²	68.4	11%	0.108	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-62.3	126.2	178	-68.2	0	0	0	0	110.7	C744 I745 L826	C744-C820 HydrophobicContact CB-CB 3.99Å; C744-C820 WeakPolarHBondContact CB-SG 3.47Å; C744-C820 WeakPolarHBondContact SG-CA 3.42Å; C744-C820 WeakPolarHBondContact SG-CB 3.37Å; C744-C820 CovalentContact SG-SG 2.05Å; C744-C820 PolarHBondContact SG-SG 3.38Å; I745-C820 VanDerWaalsContact C-SG 3.54Å; I745-C820 PolarHBondContact N-SG 3.44Å; I745-C820 PolarHBondContact O-N 2.83Å; C820-L826 HydrophobicContact CB-CD1 4.24Å; C820-L826 HydrophobicContact CB-CD2 4.04Å
821	P	89.4	Confident	84.7	Confident	84 Å²	84	65.2 Å²	65.2	55%	0.545	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-67.8	137.6	-178.3	23.5	-29.8	0	0	0	111.2	G823 K824	P821-G823 PolarHBondContact O-N 2.83Å; P821-K824 HydrophobicContact CG-CB 4.06Å; P821-K824 HydrophobicContact CG-CD 4.17Å; P821-K824 VanDerWaalsContact O-CB 3.31Å; P821-K824 WeakPolarHBondContact O-CB 3.42Å; P821-K824 PolarHBondContact O-N 2.98Å; P821-K824 VanDerWaalsContact O-N 3.07Å
822	K	85.5	Confident	84.1	Confident	214 Å²	214	65.2 Å²	65.2	93%	0.93	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	127.6	-177.1	-65.5	-171.3	177.2	-171.7	0	110.9
823	G	78.6	Confident	82.8	Confident	73 Å²	73	63.9 Å²	63.9	75%	0.753	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	0.3	179.8	0	0	0	0	0	115.7	P821 T825	P821-G823 PolarHBondContact O-N 2.83Å; G823-T825 PolarHBondContact O-N 3.44Å
824	K	82.2	Confident	81.1	Confident	87 Å²	87	61.4 Å²	61.4	38%	0.378	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.2	126.9	166	176.9	-176.1	171.3	-170.8	0	109.4	N742 P821 L826	N742-K824 PolarHBondContact O-NZ 2.9Å; P821-K824 HydrophobicContact CG-CB 4.06Å; P821-K824 HydrophobicContact CG-CD 4.17Å; P821-K824 VanDerWaalsContact O-CB 3.31Å; P821-K824 WeakPolarHBondContact O-CB 3.42Å; P821-K824 PolarHBondContact O-N 2.98Å; P821-K824 VanDerWaalsContact O-N 3.07Å; K824-L826 HydrophobicContact CB-CD2 4.37Å; K824-L826 HydrophobicContact CD-CD2 3.71Å; K824-L826 HydrophobicContact CG-CD2 3.91Å; K824-L826 PolarHBondContact O-N 2.96Å
825	T	84.9	Confident	79	Confident	99 Å²	99	61.5 Å²	61.5	61%	0.607	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-65.5	121.4	166.7	-48.4	0	0	0	0	108.8	G823 E856	G823-T825 PolarHBondContact O-N 3.44Å; T825-E856 PolarHBondContact OG1-OE1 2.67Å
826	L	86.1	Confident	76.6	Confident	38 Å²	38	67.1 Å²	67.1	20%	0.199	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-102.9	137	-175.9	-60.7	177.3	0	0	0	111	N742 E746 C820 K824 R828	N742-L826 HydrophobicContact CB-CD2 4.3Å; N742-L826 VanDerWaalsContact OD1-CA 3.31Å; N742-L826 WeakPolarHBondContact OD1-CA 3.35Å; N742-L826 WeakPolarHBondContact OD1-CD2 3Å; E746-L826 HydrophobicContact CG-CD1 3.5Å; E746-L826 VanDerWaalsContact CG-CD1 3.5Å; E746-L826 WeakPolarHBondContact OE1-CD1 3.18Å; C820-L826 HydrophobicContact CB-CD1 4.24Å; C820-L826 HydrophobicContact CB-CD2 4.04Å; K824-L826 HydrophobicContact CB-CD2 4.37Å; K824-L826 HydrophobicContact CD-CD2 3.71Å; K824-L826 HydrophobicContact CG-CD2 3.91Å; K824-L826 PolarHBondContact O-N 2.96Å; L826-R828 PolarHBondContact O-N 3Å
827	V	85.3	Confident	74.1	Confident	58 Å²	58	73.6 Å²	73.6	35%	0.352	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-73	121.8	167.9	-179.1	0	0	0	0	107.9	N742	N742-V827 PolarHBondContact ND2-O 3.44Å; N742-V827 PolarHBondContact OD1-N 3.05Å
828	R	83.7	Confident	71.7	Confident	139 Å²	139	79.1 Å²	79.1	53%	0.525	41%	0.405	S	S	.	.			trans	-122.2	120.2	171.7	-69	-177.5	178.5	158.9	-4.1	107.4	E746 L826	E746-R828 IonicContact OE1-CZ 2.6Å; E746-R828 VanDerWaalsContact OE1-CZ 3.24Å; E746-R828 IonicContact OE1-NE 3.8Å; E746-R828 PolarHBondContact OE1-NE 3.28Å; E746-R828 IonicContact OE1-NH2 3.39Å; E746-R828 PolarHBondContact OE1-NH2 2.9Å; E746-R828 IonicContact OE2-CZ 2.77Å; E746-R828 IonicContact OE2-NH2 3.44Å; E746-R828 PolarHBondContact OE2-NH2 3.31Å; L826-R828 PolarHBondContact O-N 3Å
829	H	81.8	Confident	69.5	Low	24 Å²	24	76.8 Å²	76.8	11%	0.111	39%	0.393	C	S	.	.			trans	-94.1	150.7	168.7	-40.2	-74.2	0	0	0	110.3	C734 M737 S738 E741 D833 H834	C734-H829 HydrophobicContact CB-CB 4.44Å; M737-H829 VanDerWaalsContact CB-CD2 3.46Å; M737-H829 WeakPolarHBondContact CB-CD2 3.5Å; S738-H829 PolarHBondContact OG-N 2.01Å; E741-H829 IonicContact OE2-CE1 2.71Å; E741-H829 PolarHBondContact OE2-CE1 3.21Å; E741-H829 IonicContact OE2-NE2 2.72Å; E741-H829 PolarHBondContact OE2-NE2 2.84Å; H829-D833 WeakPolarHBondContact CA-OD2 3.37Å; H829-H834 AromaticContact CG-NE2 3.63Å; H829-H834 AromaticContact ND1-CE1 3.93Å; H829-H834 AromaticContact ND1-NE2 3.36Å; H829-H834 PolarHBondContact ND1-NE2 2.95Å
830	K	71	Confident	67.6	Low	116 Å²	116	74 Å²	74	50%	0.504	38%	0.376	S	S	.	.			trans	-131.8	169.6	164.6	-56.2	162.1	-167.1	152.7	0	107.9	C734 A832 D833	C734-K830 VanDerWaalsContact SG-C 3.55Å; K830-A832 VanDerWaalsContact C-N 3.26Å; K830-A832 PolarHBondContact O-N 3Å; K830-D833 PolarHBondContact N-OD2 3.4Å; K830-D833 PolarHBondContact O-N 2.77Å
831	E	67.4	Low	66	Low	17 Å²	17	73.8 Å²	73.8	8%	0.079	37%	0.374	C	S	.	.	H	α-helix	trans	-51.9	-46.1	166.4	-79.1	174.3	-165.4	0	0	112.9	L563 I621 D622 H625 C734 D833 H834 N835	L563-E831 HydrophobicContact CD1-CG 4.12Å; L563-E831 WeakPolarHBondContact CD1-OE1 3.23Å; L563-E831 VanDerWaalsContact CD1-OE2 3.31Å; L563-E831 WeakPolarHBondContact CD1-OE2 2.87Å; I621-E831 WeakPolarHBondContact CA-OE1 3.41Å; I621-E831 VanDerWaalsContact CG2-OE1 3.28Å; I621-E831 WeakPolarHBondContact CG2-OE1 3.29Å; D622-E831 HydrophobicContact CB-CG 4.4Å; D622-E831 PolarHBondContact N-OE1 3.22Å; D622-E831 PolarHBondContact OD1-N 3.42Å; H625-E831 WeakPolarHBondContact CB-OE1 3.08Å; H625-E831 IonicContact CE1-OE1 3.81Å; H625-E831 IonicContact CE1-OE2 2.64Å; H625-E831 PolarHBondContact CE1-OE2 2.88Å; H625-E831 IonicContact CG-OE1 3.45Å; H625-E831 IonicContact ND1-OE1 3.81Å; H625-E831 PolarHBondContact ND1-OE1 2.98Å; H625-E831 IonicContact ND1-OE2 2.74Å; H625-E831 PolarHBondContact ND1-OE2 2.99Å; C734-E831 PolarHBondContact SG-N 3.05Å; E831-D833 VanDerWaalsContact C-N 3.32Å; E831-D833 PolarHBondContact O-N 2.75Å; E831-H834 PolarHBondContact O-N 2.97Å; E831-N835 WeakPolarHBondContact O-CB 3.3Å; E831-N835 PolarHBondContact O-N 3.29Å; E831-N835 VanDerWaalsContact O-N 3.1Å; E831-N835 PolarHBondContact O-ND2 2.93Å; E831-N835 VanDerWaalsContact O-ND2 3.1Å
832	A	57	Low	64.4	Low	51 Å²	51	75.2 Å²	75.2	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-56.2	-45	-174.7	0	0	0	0	0	112.6	K830 H834 N835 W836	K830-A832 VanDerWaalsContact C-N 3.26Å; K830-A832 PolarHBondContact O-N 3Å; A832-H834 PolarHBondContact O-N 2.71Å; A832-H834 VanDerWaalsContact O-N 3.16Å; A832-N835 PolarHBondContact O-N 3.48Å; A832-N835 VanDerWaalsContact O-N 3.11Å; A832-W836 WeakPolarHBondContact O-CB 3.1Å; A832-W836 VanDerWaalsContact O-CD1 3.3Å; A832-W836 PolarHBondContact O-N 2.82Å
833	D	52	Low	63.1	Low	61 Å²	61	69.5 Å²	69.5	33%	0.326	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-28	-173.7	-44	-24.6	0	0	0	112.4	H829 K830 E831	H829-D833 WeakPolarHBondContact CA-OD2 3.37Å; K830-D833 PolarHBondContact N-OD2 3.4Å; K830-D833 PolarHBondContact O-N 2.77Å; E831-D833 VanDerWaalsContact C-N 3.32Å; E831-D833 PolarHBondContact O-N 2.75Å
834	H	50.1	Low	62.5	Low	52 Å²	52	68.8 Å²	68.8	24%	0.241	34%	0.335	C	S	.	.	H	α-helix	trans	-100.5	-15.4	179.9	-66.3	-63.7	0	0	0	113.8	F619 H829 E831 A832	F619-H834 HydrophobicContact CD2-CB 3.9Å; F619-H834 AromaticContact CD2-CG 3.77Å; F619-H834 AromaticContact CD2-ND1 3.46Å; F619-H834 WeakPolarHBondContact CD2-ND1 3.04Å; H829-H834 AromaticContact CG-NE2 3.63Å; H829-H834 AromaticContact ND1-CE1 3.93Å; H829-H834 AromaticContact ND1-NE2 3.36Å; H829-H834 PolarHBondContact ND1-NE2 2.95Å; E831-H834 PolarHBondContact O-N 2.97Å; A832-H834 PolarHBondContact O-N 2.71Å; A832-H834 VanDerWaalsContact O-N 3.16Å
835	N	46.5	Very low	61.7	Low	22 Å²	22	69.1 Å²	69.1	12%	0.118	35%	0.349	C	S	.	.	H	α-helix	trans	-92.4	-11.3	-175	-76.8	-13.2	0	0	0	113.4	H615 L618 E831 A832	H615-N835 VanDerWaalsContact CB-OD1 3.29Å; H615-N835 WeakPolarHBondContact CB-OD1 3.26Å; H615-N835 WeakPolarHBondContact CD2-CB 3Å; H615-N835 VanDerWaalsContact CD2-CG 3.41Å; H615-N835 PolarHBondContact CE1-ND2 3Å; H615-N835 VanDerWaalsContact CG-OD1 3.28Å; H615-N835 PolarHBondContact ND1-ND2 2.74Å; L618-N835 WeakPolarHBondContact CD1-ND2 3.08Å; L618-N835 WeakPolarHBondContact CD1-OD1 3.34Å; E831-N835 WeakPolarHBondContact O-CB 3.3Å; E831-N835 PolarHBondContact O-N 3.29Å; E831-N835 VanDerWaalsContact O-N 3.1Å; E831-N835 PolarHBondContact O-ND2 2.93Å; E831-N835 VanDerWaalsContact O-ND2 3.1Å; A832-N835 PolarHBondContact O-N 3.48Å; A832-N835 VanDerWaalsContact O-N 3.11Å
836	W	43.7	Very low	60.9	Low	124 Å²	124	70 Å²	70	47%	0.47	35%	0.35	S	S	.	.			trans	-125.5	31.5	-160.9	-75.9	69.7	0	0	0	117	N544 A832	N544-W836 WeakPolarHBondContact ND2-CZ3 3.18Å; A832-W836 WeakPolarHBondContact O-CB 3.1Å; A832-W836 VanDerWaalsContact O-CD1 3.3Å; A832-W836 PolarHBondContact O-N 2.82Å
837	H	40.8	Very low	60.2	Low	136 Å²	136	68.8 Å²	68.8	63%	0.63	34%	0.344	S	S	*	.			trans	-119.3	72.9	174.7	-71.3	-49.9	0	0	0	114.9
838	Y	45	Very low	59.5	Low	120 Å²	120	66.5 Å²	66.5	47%	0.471	33%	0.33	S	S	.	.	S	Bend	trans	-111.2	66.6	134.2	-126.4	-86.1	0	0	0	106	V547 T840	V547-Y838 HydrophobicContact CG1-CD2 4.32Å; V547-Y838 HydrophobicContact CG1-CE2 4.01Å; V547-Y838 HydrophobicContact CG2-CD1 4.25Å; V547-Y838 HydrophobicContact CG2-CD2 3.44Å; V547-Y838 VanDerWaalsContact CG2-CD2 3.44Å; V547-Y838 HydrophobicContact CG2-CE2 4Å; V547-Y838 HydrophobicContact CG2-CG 3.57Å; Y838-T840 PolarHBondContact O-N 2.97Å
839	D	46	Very low	58.6	Low	22 Å²	22	64.1 Å²	64.1	12%	0.118	33%	0.325	C	S	.	.			trans	-65.8	131.4	-172.7	157.2	49.6	0	0	0	110.2	I484 H485 C841 T842	I484-D839 WeakPolarHBondContact CD1-OD1 3.41Å; H485-D839 IonicContact CE1-OD1 2.88Å; D839-C841 PolarHBondContact O-N 3.07Å; D839-C841 WeakPolarHBondContact OD1-CB 3.46Å; D839-C841 PolarHBondContact OD1-N 3.25Å; D839-C841 PolarHBondContact OD1-SG 3.44Å; D839-C841 VanDerWaalsContact OD1-SG 3.34Å; D839-C841 VanDerWaalsContact OD2-CB 3.28Å; D839-C841 WeakPolarHBondContact OD2-CB 3.2Å; D839-C841 PolarHBondContact OD2-N 2.91Å; D839-T842 WeakPolarHBondContact CB-OG1 3.01Å; D839-T842 PolarHBondContact O-N 2.93Å; D839-T842 VanDerWaalsContact O-N 3.17Å; D839-T842 PolarHBondContact O-OG1 3.05Å; D839-T842 PolarHBondContact OD2-N 3.19Å; D839-T842 PolarHBondContact OD2-OG1 3.32Å
840	T	51	Low	57.3	Low	2 Å²	2	68.6 Å²	68.6	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-70.8	-27.6	-177.3	-35.6	0	0	0	0	110.7	C525 Y838 T842 H844	C525-T840 HydrophobicContact CB-CG2 3.95Å; Y838-T840 PolarHBondContact O-N 2.97Å; T840-T842 PolarHBondContact O-N 3.34Å; T840-H844 CarbonylContact O-C 3.56Å; T840-H844 WeakPolarHBondContact O-CA 3.36Å; T840-H844 WeakPolarHBondContact O-CB 3.27Å; T840-H844 PolarHBondContact O-N 2.75Å
841	C	57.4	Low	56.1	Low	11 Å²	11	65.8 Å²	65.8	7%	0.074	35%	0.349	C	S	.	.	H	α-helix	trans	-70.1	-18.3	174.2	-45.5	0	0	0	0	112.9	D839 H844 S845 C848	D839-C841 PolarHBondContact O-N 3.07Å; D839-C841 WeakPolarHBondContact OD1-CB 3.46Å; D839-C841 PolarHBondContact OD1-N 3.25Å; D839-C841 PolarHBondContact OD1-SG 3.44Å; D839-C841 VanDerWaalsContact OD1-SG 3.34Å; D839-C841 VanDerWaalsContact OD2-CB 3.28Å; D839-C841 WeakPolarHBondContact OD2-CB 3.2Å; D839-C841 PolarHBondContact OD2-N 2.91Å; C841-H844 CarbonylContact O-C 3.57Å; C841-S845 WeakPolarHBondContact O-CA 3.35Å; C841-S845 WeakPolarHBondContact O-CB 3.05Å; C841-S845 PolarHBondContact O-N 2.95Å; C841-S845 VanDerWaalsContact O-N 3.12Å; C841-C848 VanDerWaalsContact CA-SG 3.53Å; C841-C848 HydrophobicContact CB-CB 3.56Å; C841-C848 WeakPolarHBondContact CB-SG 3.35Å; C841-C848 WeakPolarHBondContact SG-CB 3.49Å; C841-C848 CovalentContact SG-SG 2.02Å; C841-C848 PolarHBondContact SG-SG 3.29Å
842	T	56.7	Low	54.9	Low	114 Å²	114	74.2 Å²	74.2	70%	0.699	39%	0.388	S	S	*	.	H	α-helix	trans	-83.7	-36.2	178.3	-23.9	0	0	0	0	112.9	D839 T840	D839-T842 WeakPolarHBondContact CB-OG1 3.01Å; D839-T842 PolarHBondContact O-N 2.93Å; D839-T842 VanDerWaalsContact O-N 3.17Å; D839-T842 PolarHBondContact O-OG1 3.05Å; D839-T842 PolarHBondContact OD2-N 3.19Å; D839-T842 PolarHBondContact OD2-OG1 3.32Å; T840-T842 PolarHBondContact O-N 3.34Å
843	E	57.8	Low	53.9	Low	93 Å²	93	75.8 Å²	75.8	44%	0.435	39%	0.393	S	S	.	.	H	α-helix	trans	-80.2	-31.3	169.5	-80.7	-165	134.1	0	0	112.3	K469	K469-E843 IonicContact NZ-OE1 3.12Å; K469-E843 PolarHBondContact NZ-OE1 3.34Å; K469-E843 IonicContact NZ-OE2 2.74Å; K469-E843 PolarHBondContact NZ-OE2 3.44Å
844	H	66.3	Low	53	Low	59 Å²	59	81 Å²	81	27%	0.273	42%	0.418	S	S	.	.			trans	-136.8	74.7	-173.8	-69.5	-71.7	0	0	0	110.7	C525 T840 C841 D846 C847	C525-H844 VanDerWaalsContact SG-CB 3.52Å; T840-H844 CarbonylContact O-C 3.56Å; T840-H844 WeakPolarHBondContact O-CA 3.36Å; T840-H844 WeakPolarHBondContact O-CB 3.27Å; T840-H844 PolarHBondContact O-N 2.75Å; C841-H844 CarbonylContact O-C 3.57Å; H844-D846 VanDerWaalsContact C-OD1 3.26Å; H844-D846 VanDerWaalsContact CA-OD1 3.23Å; H844-D846 WeakPolarHBondContact CA-OD1 3.31Å; H844-D846 WeakPolarHBondContact CB-OD1 3.26Å; H844-D846 IonicContact CG-OD1 3.56Å; H844-D846 IonicContact ND1-OD1 2.72Å; H844-D846 PolarHBondContact O-N 2.87Å; H844-C847 HydrophobicContact CB-CB 4.25Å; H844-C847 WeakPolarHBondContact O-CB 3.15Å; H844-C847 PolarHBondContact O-N 3.34Å
845	S	64.5	Low	52.1	Low	94 Å²	94	85.9 Å²	85.9	66%	0.657	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.1	176.8	54.8	0	0	0	0	112.7	C841 C847 C848	C841-S845 WeakPolarHBondContact O-CA 3.35Å; C841-S845 WeakPolarHBondContact O-CB 3.05Å; C841-S845 PolarHBondContact O-N 2.95Å; C841-S845 VanDerWaalsContact O-N 3.12Å; S845-C847 PolarHBondContact O-N 3.34Å; S845-C848 PolarHBondContact O-N 2.03Å
846	D	68.2	Low	51.4	Low	118 Å²	118	90 Å²	90	63%	0.631	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-61.4	-23	169.4	59.3	-53.4	0	0	0	113.7	H844	H844-D846 VanDerWaalsContact C-OD1 3.26Å; H844-D846 VanDerWaalsContact CA-OD1 3.23Å; H844-D846 WeakPolarHBondContact CA-OD1 3.31Å; H844-D846 WeakPolarHBondContact CB-OD1 3.26Å; H844-D846 IonicContact CG-OD1 3.56Å; H844-D846 IonicContact ND1-OD1 2.72Å; H844-D846 PolarHBondContact O-N 2.87Å
847	C	71.6	Confident	50.9	Low	12 Å²	12	87.1 Å²	87.1	8%	0.081	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-82.9	-8.3	176.6	-70.2	0	0	0	0	114.6	C525 H539 P541 H844 S845	C525-C847 HydrophobicContact CB-CB 3.69Å; C525-C847 WeakPolarHBondContact CB-SG 3.41Å; C525-C847 WeakPolarHBondContact SG-CB 3.36Å; C525-C847 CovalentContact SG-SG 2.03Å; C525-C847 PolarHBondContact SG-SG 3.42Å; H539-C847 PolarHBondContact ND1-O 3.17Å; P541-C847 HydrophobicContact CG-CB 4.31Å; H844-C847 HydrophobicContact CB-CB 4.25Å; H844-C847 WeakPolarHBondContact O-CB 3.15Å; H844-C847 PolarHBondContact O-N 3.34Å; S845-C847 PolarHBondContact O-N 3.34Å
848	C	70	Confident	50.5	Low	9 Å²	9	86.5 Å²	86.5	6%	0.061	48%	0.478	C	S	.	.	S	Bend	trans	-135.3	102.5	-172.6	-54.6	0	0	0	0	111.1	C841 S845 D850	C841-C848 VanDerWaalsContact CA-SG 3.53Å; C841-C848 HydrophobicContact CB-CB 3.56Å; C841-C848 WeakPolarHBondContact CB-SG 3.35Å; C841-C848 WeakPolarHBondContact SG-CB 3.49Å; C841-C848 CovalentContact SG-SG 2.02Å; C841-C848 PolarHBondContact SG-SG 3.29Å; S845-C848 PolarHBondContact O-N 2.03Å; C848-D850 PolarHBondContact O-N 2.97Å
849	Q	65.5	Low	50	Low	89 Å²	89	87.2 Å²	87.2	42%	0.416	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	121.4	-177.3	-77.1	172.5	-17.3	0	0	111.3	K538	K538-Q849 WeakPolarHBondContact CD-O 3.05Å
850	D	54.6	Low	49.6	Very low	119 Å²	119	92.4 Å²	92.4	64%	0.636	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	60.1	173	-46.5	-38.4	0	0	0	114.1	K538 C848 E852	K538-D850 VanDerWaalsContact NZ-CB 3.33Å; K538-D850 PolarHBondContact NZ-O 3.23Å; C848-D850 PolarHBondContact O-N 2.97Å; D850-E852 VanDerWaalsContact C-N 3.3Å
851	A	46.3	Very low	49	Very low	57 Å²	57	98.4 Å²	98.4	47%	0.471	53%	0.533	S	S	.	.			trans	-75.2	-13	174.6	0	0	0	0	0	114.1	T853	A851-T853 PolarHBondContact O-N 2.94Å
852	E	41.3	Very low	48.4	Very low	193 Å²	193	106.8 Å²	106.8	90%	0.902	57%	0.571	S	S	*	*			trans	-75.2	41.7	-175.3	-59.7	-167.5	138.5	0	0	114.2	D850	D850-E852 VanDerWaalsContact C-N 3.3Å
853	T	37.6	Very low	47.7	Very low	85 Å²	85	108 Å²	108	52%	0.521	57%	0.567	S	S	.	*			trans	-144.8	60.4	176.5	-39.2	0	0	0	0	112.2	A851 M855	A851-T853 PolarHBondContact O-N 2.94Å; T853-M855 VanDerWaalsContact C-N 3.31Å; T853-M855 HydrophobicContact CG2-CE 3.99Å; T853-M855 HydrophobicContact CG2-CG 4.33Å; T853-M855 PolarHBondContact O-N 3.4Å
854	I	32.3	Very low	46.8	Very low	170 Å²	170	110.2 Å²	110.2	87%	0.872	57%	0.572	S	S	*	*			trans	-71.8	87.3	167.8	-54.4	177.1	0	0	0	108.5
855	M	32.1	Very low	45.5	Very low	155 Å²	155	110.3 Å²	110.3	76%	0.764	58%	0.58	S	S	*	*			trans	-131.9	129.4	173	-68.8	-155.6	-60.9	0	0	112	T853	T853-M855 VanDerWaalsContact C-N 3.31Å; T853-M855 HydrophobicContact CG2-CE 3.99Å; T853-M855 HydrophobicContact CG2-CG 4.33Å; T853-M855 PolarHBondContact O-N 3.4Å
856	E	30.4	Very low	44.4	Very low	108 Å²	108	111.8 Å²	111.8	51%	0.505	58%	0.576	S	S	.	*			trans	27.5	101.8	166.5	-59.7	-159.6	137	0	0	118.7	T825 K859	T825-E856 PolarHBondContact OG1-OE1 2.67Å; E856-K859 IonicContact OE1-NZ 3.19Å; E856-K859 PolarHBondContact OE1-NZ 3.12Å; E856-K859 IonicContact OE2-NZ 2.84Å; E856-K859 PolarHBondContact OE2-NZ 3.44Å
857	G	32.6	Very low	43	Very low	63 Å²	63	109.2 Å²	109.2	65%	0.649	56%	0.562	S	S	*	*			trans	-58.4	153.1	161.2	0	0	0	0	0	112.6	K859	G857-K859 PolarHBondContact O-N 2.93Å
858	P	33.7	Very low	41.6	Very low	123 Å²	123	110.9 Å²	110.9	80%	0.799	57%	0.57	S	S	*	*			trans	-65.9	124.8	-161.9	24.2	-34.8	0	0	0	114.2	K860	P858-K860 PolarHBondContact O-N 2.76Å
859	K	33.7	Very low	40.5	Very low	136 Å²	136	113 Å²	113	59%	0.591	58%	0.584	S	S	*	*			trans	-63.1	109.1	174.4	-74.5	161.1	174.2	154.4	0	111	E856 G857	E856-K859 IonicContact OE1-NZ 3.19Å; E856-K859 PolarHBondContact OE1-NZ 3.12Å; E856-K859 IonicContact OE2-NZ 2.84Å; E856-K859 PolarHBondContact OE2-NZ 3.44Å; G857-K859 PolarHBondContact O-N 2.93Å
860	K	38.7	Very low	39.3	Very low	130 Å²	130	112.8 Å²	112.8	57%	0.565	58%	0.584	S	S	*	*			trans	-141	69.7	172	-81.9	-164.7	171.3	-174.7	0	110.8	N442 P858	N442-K860 VanDerWaalsContact CG-NZ 3.33Å; N442-K860 PolarHBondContact OD1-NZ 3.48Å; P858-K860 PolarHBondContact O-N 2.76Å
861	E	38.3	Very low	38.3	Very low	128 Å²	128	111 Å²	111	60%	0.598	57%	0.574	S	S	*	*			trans	-82.4	-21	-172.8	-65.6	173.3	122.4	0	0	113.7	K863	E861-K863 PolarHBondContact O-N 2.86Å
862	E	44.7	Very low	37.9	Very low	187 Å²	187	110.9 Å²	110.9	87%	0.874	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	-11.4	-167.7	-64.7	-176.2	131	0	0	116.3	S865	E862-S865 PolarHBondContact O-OG 3.12Å
863	K	42.4	Very low	38	Very low	140 Å²	140	108 Å²	108	61%	0.609	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-13.9	-176.8	-163.9	164.6	-171.7	178.8	0	115	E861	E861-K863 PolarHBondContact O-N 2.86Å
864	Y	37.5	Very low	38	Very low	139 Å²	139	107.7 Å²	107.7	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-76.7	-26.6	-178.3	-83.5	-85.6	0	0	0	113.5	I867 L868	Y864-I867 PolarHBondContact O-N 2.75Å; Y864-L868 WeakPolarHBondContact O-CB 3.03Å; Y864-L868 VanDerWaalsContact O-CG 3.28Å; Y864-L868 WeakPolarHBondContact O-CG 3.34Å; Y864-L868 PolarHBondContact O-N 3.42Å
865	S	38.8	Very low	38.1	Very low	61 Å²	61	107.7 Å²	107.7	43%	0.427	53%	0.533	S	S	.	.	H	α-helix	trans	-61.5	-43.3	176.8	47.9	0	0	0	0	112.8	E862 L868 S869	E862-S865 PolarHBondContact O-OG 3.12Å; S865-L868 PolarHBondContact O-N 2.9Å; S865-S869 WeakPolarHBondContact O-CB 3.41Å; S865-S869 PolarHBondContact O-N 2.83Å
866	E	42.4	Very low	38.4	Very low	125 Å²	125	103.5 Å²	103.5	58%	0.584	52%	0.518	S	S	*	.	H	α-helix	trans	-63	-44.9	177.5	-166.8	172	-128.2	0	0	110.6	S869 E870	E866-S869 PolarHBondContact O-N 2.86Å; E866-S869 PolarHBondContact O-OG 3.47Å; E866-E870 PolarHBondContact O-N 3.37Å; E866-E870 VanDerWaalsContact O-N 3.17Å
867	I	38.8	Very low	38.9	Very low	64 Å²	64	100 Å²	100	33%	0.328	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.4	-62.6	169.4	0	0	0	111.5	Y864 S869 E870 L871	Y864-I867 PolarHBondContact O-N 2.75Å; I867-S869 VanDerWaalsContact C-N 3.32Å; I867-S869 PolarHBondContact O-N 2.76Å; I867-E870 PolarHBondContact O-N 3.15Å; I867-L871 HydrophobicContact CG2-CD1 4.03Å; I867-L871 WeakPolarHBondContact O-CG 3.32Å; I867-L871 PolarHBondContact O-N 2.78Å
868	L	40.9	Very low	39.2	Very low	47 Å²	47	99.5 Å²	99.5	25%	0.246	49%	0.488	C	S	.	.	H	α-helix	trans	-63.1	-39.1	174.9	-73	165.1	0	0	0	111.5	T749 Y864 S865 E870 L871 D872	T749-L868 HydrophobicContact CG2-CD1 3.82Å; Y864-L868 WeakPolarHBondContact O-CB 3.03Å; Y864-L868 VanDerWaalsContact O-CG 3.28Å; Y864-L868 WeakPolarHBondContact O-CG 3.34Å; Y864-L868 PolarHBondContact O-N 3.42Å; S865-L868 PolarHBondContact O-N 2.9Å; L868-E870 PolarHBondContact O-N 3.19Å; L868-L871 HydrophobicContact CD2-CD1 4.21Å; L868-L871 PolarHBondContact O-N 3.28Å; L868-L871 VanDerWaalsContact O-N 3.13Å; L868-D872 PolarHBondContact O-N 3.1Å
869	S	47.1	Very low	39.4	Very low	53 Å²	53	93.9 Å²	93.9	37%	0.371	45%	0.451	S	S	.	.	H	α-helix	trans	-67.4	-20.5	176.3	81.8	0	0	0	0	114.1	S865 E866 I867 K873	S865-S869 WeakPolarHBondContact O-CB 3.41Å; S865-S869 PolarHBondContact O-N 2.83Å; E866-S869 PolarHBondContact O-N 2.86Å; E866-S869 PolarHBondContact O-OG 3.47Å; I867-S869 VanDerWaalsContact C-N 3.32Å; I867-S869 PolarHBondContact O-N 2.76Å; S869-K873 WeakPolarHBondContact O-CE 3.42Å
870	E	41.2	Very low	40	Very low	86 Å²	86	92.3 Å²	92.3	40%	0.402	44%	0.444	S	S	.	.	H	α-helix	trans	-87.8	-32.7	169	-62.9	-57.9	150.1	0	0	112	E866 I867 L868 K873 I874	E866-E870 PolarHBondContact O-N 3.37Å; E866-E870 VanDerWaalsContact O-N 3.17Å; I867-E870 PolarHBondContact O-N 3.15Å; L868-E870 PolarHBondContact O-N 3.19Å; E870-K873 WeakPolarHBondContact O-CB 3.01Å; E870-K873 PolarHBondContact O-N 3.34Å; E870-K873 IonicContact OE1-NZ 2.83Å; E870-K873 PolarHBondContact OE1-NZ 3.37Å; E870-K873 WeakPolarHBondContact OE2-CD 3.35Å; E870-K873 IonicContact OE2-NZ 2.76Å; E870-K873 PolarHBondContact OE2-NZ 2.95Å; E870-I874 WeakPolarHBondContact O-CG1 3.46Å; E870-I874 PolarHBondContact O-N 3.39Å
871	L	33.4	Very low	40.3	Very low	82 Å²	82	91.9 Å²	91.9	43%	0.429	45%	0.445	S	S	.	.	H	α-helix	trans	-61.5	-41	173.1	-78	161.3	0	0	0	112	I867 L868 K873 I874 W875	I867-L871 HydrophobicContact CG2-CD1 4.03Å; I867-L871 WeakPolarHBondContact O-CG 3.32Å; I867-L871 PolarHBondContact O-N 2.78Å; L868-L871 HydrophobicContact CD2-CD1 4.21Å; L868-L871 PolarHBondContact O-N 3.28Å; L868-L871 VanDerWaalsContact O-N 3.13Å; L871-K873 PolarHBondContact O-N 3.07Å; L871-I874 HydrophobicContact CD2-CD1 4.28Å; L871-I874 PolarHBondContact O-N 2.87Å; L871-W875 PolarHBondContact O-N 3.24Å
872	D	38.3	Very low	40.4	Very low	54 Å²	54	87.8 Å²	87.8	29%	0.289	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-9.1	171.6	-79	-0.3	0	0	0	113.9	L868 P876	L868-D872 PolarHBondContact O-N 3.1Å; D872-P876 WeakPolarHBondContact O-CA 3.45Å
873	K	43.2	Very low	40.6	Very low	131 Å²	131	80.9 Å²	80.9	57%	0.57	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-12.9	174.4	-55.4	172.7	-162.2	151.9	0	113.2	S869 E870 L871	S869-K873 WeakPolarHBondContact O-CE 3.42Å; E870-K873 WeakPolarHBondContact O-CB 3.01Å; E870-K873 PolarHBondContact O-N 3.34Å; E870-K873 IonicContact OE1-NZ 2.83Å; E870-K873 PolarHBondContact OE1-NZ 3.37Å; E870-K873 WeakPolarHBondContact OE2-CD 3.35Å; E870-K873 IonicContact OE2-NZ 2.76Å; E870-K873 PolarHBondContact OE2-NZ 2.95Å; L871-K873 PolarHBondContact O-N 3.07Å
874	I	37.3	Very low	41.1	Very low	80 Å²	80	79.5 Å²	79.5	41%	0.41	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-49	175.7	-59.5	165.8	0	0	0	108.9	N431 E870 L871 P876	N431-I874 HydrophobicContact CB-CD1 3.71Å; N431-I874 HydrophobicContact CB-CG1 3.75Å; N431-I874 HydrophobicContact CB-CG2 4.48Å; N431-I874 WeakPolarHBondContact ND2-CD1 3.33Å; N431-I874 VanDerWaalsContact ND2-CG1 3.27Å; N431-I874 WeakPolarHBondContact ND2-CG1 3.18Å; E870-I874 WeakPolarHBondContact O-CG1 3.46Å; E870-I874 PolarHBondContact O-N 3.39Å; L871-I874 HydrophobicContact CD2-CD1 4.28Å; L871-I874 PolarHBondContact O-N 2.87Å; I874-P876 WeakPolarHBondContact O-CD 3.48Å
875	W	34.5	Very low	41.4	Very low	169 Å²	169	76.8 Å²	76.8	64%	0.64	39%	0.391	S	S	*	.	S	Bend	trans	-111.9	84.1	170.1	-157.8	-65.2	0	0	0	106.6	L627 L871 D877	L627-W875 HydrophobicContact CD1-CH2 4.22Å; L871-W875 PolarHBondContact O-N 3.24Å; W875-D877 PolarHBondContact O-N 2.94Å
876	P	38.2	Very low	41.5	Very low	68 Å²	68	75.7 Å²	75.7	44%	0.442	38%	0.379	S	S	.	.			trans	-54.5	128.4	171.7	25	-33.4	0	0	0	107.9	D872 I874 P878	D872-P876 WeakPolarHBondContact O-CA 3.45Å; I874-P876 WeakPolarHBondContact O-CD 3.48Å; P876-P878 VanDerWaalsContact O-CD 3.29Å; P876-P878 WeakPolarHBondContact O-CD 3.17Å
877	D	40.9	Very low	42.1	Very low	34 Å²	34	75.4 Å²	75.4	18%	0.182	38%	0.381	C	S	.	.			trans	-53.4	120.2	170.5	-179.7	-7.5	0	0	0	106.3	E797 W875 S879 K880	E797-D877 VanDerWaalsContact CG-OD2 3.28Å; E797-D877 WeakPolarHBondContact CG-OD2 3.47Å; W875-D877 PolarHBondContact O-N 2.94Å; D877-S879 PolarHBondContact O-N 3.19Å; D877-S879 VanDerWaalsContact OD1-CB 3.23Å; D877-S879 WeakPolarHBondContact OD1-CB 3.42Å; D877-S879 PolarHBondContact OD1-N 3.02Å; D877-S879 PolarHBondContact OD1-OG 3.03Å; D877-S879 VanDerWaalsContact OD2-CB 3.22Å; D877-S879 WeakPolarHBondContact OD2-CB 3.37Å; D877-S879 PolarHBondContact OD2-OG 2.88Å; D877-K880 PolarHBondContact O-N 3.5Å
878	P	38.7	Very low	42.9	Very low	52 Å²	52	78.6 Å²	78.6	34%	0.338	39%	0.389	S	S	.	.	H	α-helix	trans	-54.7	-22.2	176.9	22.4	-34	0	0	0	111.2	I784 P876 K880 E881 I882	I784-P878 HydrophobicContact CD1-CG 4.45Å; P876-P878 VanDerWaalsContact O-CD 3.29Å; P876-P878 WeakPolarHBondContact O-CD 3.17Å; P878-K880 VanDerWaalsContact C-N 3.25Å; P878-K880 PolarHBondContact O-N 2.93Å; P878-E881 PolarHBondContact O-N 2.95Å; P878-I882 HydrophobicContact CB-CD1 3.9Å; P878-I882 HydrophobicContact CB-CG1 4.49Å; P878-I882 WeakPolarHBondContact O-CA 3.09Å; P878-I882 WeakPolarHBondContact O-CB 3.32Å; P878-I882 WeakPolarHBondContact O-CG1 3.31Å; P878-I882 PolarHBondContact O-N 3.4Å
879	S	38.9	Very low	43.2	Very low	5 Å²	5	80.6 Å²	80.6	4%	0.035	40%	0.397	C	S	.	.	H	α-helix	trans	-49.1	-38.8	166.8	-56.2	0	0	0	0	113.9	G796 D877 A883	G796-S879 PolarHBondContact N-OG 3.4Å; G796-S879 VanDerWaalsContact N-OG 3.14Å; D877-S879 PolarHBondContact O-N 3.19Å; D877-S879 VanDerWaalsContact OD1-CB 3.23Å; D877-S879 WeakPolarHBondContact OD1-CB 3.42Å; D877-S879 PolarHBondContact OD1-N 3.02Å; D877-S879 PolarHBondContact OD1-OG 3.03Å; D877-S879 VanDerWaalsContact OD2-CB 3.22Å; D877-S879 WeakPolarHBondContact OD2-CB 3.37Å; D877-S879 PolarHBondContact OD2-OG 2.88Å; S879-A883 WeakPolarHBondContact O-CA 3.3Å; S879-A883 WeakPolarHBondContact O-CB 3.36Å; S879-A883 PolarHBondContact O-N 2.94Å
880	K	46	Very low	43.4	Very low	103 Å²	103	84.3 Å²	84.3	45%	0.448	41%	0.408	S	S	.	.	H	α-helix	trans	-74.6	-48.4	177	-78.4	-170.1	-178.2	80.3	0	112.7	E797 D877 P878 I882 A883 E884	E797-K880 WeakPolarHBondContact OE1-CG 3.29Å; E797-K880 IonicContact OE1-NZ 2.77Å; E797-K880 PolarHBondContact OE1-NZ 3.3Å; E797-K880 IonicContact OE2-NZ 3.49Å; E797-K880 PolarHBondContact OE2-NZ 2.74Å; D877-K880 PolarHBondContact O-N 3.5Å; P878-K880 VanDerWaalsContact C-N 3.25Å; P878-K880 PolarHBondContact O-N 2.93Å; K880-I882 VanDerWaalsContact C-N 3.29Å; K880-I882 PolarHBondContact O-N 3Å; K880-A883 PolarHBondContact O-N 3.18Å; K880-E884 PolarHBondContact O-N 3.21Å
881	E	44.9	Very low	44.3	Very low	122 Å²	122	85.2 Å²	85.2	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-67.2	-35.6	-179.6	-153.7	-180	-155.7	0	0	110.7	P878 E884 I885	P878-E881 PolarHBondContact O-N 2.95Å; E881-E884 PolarHBondContact O-N 2.02Å; E881-I885 WeakPolarHBondContact O-CB 3.25Å; E881-I885 WeakPolarHBondContact O-CD1 3.48Å; E881-I885 WeakPolarHBondContact O-CG1 3.47Å; E881-I885 PolarHBondContact O-N 3.05Å
882	I	40.9	Very low	45.3	Very low	42 Å²	42	84 Å²	84	22%	0.215	41%	0.406	C	S	.	.	H	α-helix	trans	-73.8	-34.8	173.8	-61.9	171.7	0	0	0	111.4	P781 Y795 P878 K880 I885 M886	P781-I882 HydrophobicContact CB-CD1 4.24Å; P781-I882 HydrophobicContact CG-CD1 3.55Å; P781-I882 HydrophobicContact CG-CG2 3.97Å; Y795-I882 WeakPolarHBondContact OH-CG2 3.46Å; P878-I882 HydrophobicContact CB-CD1 3.9Å; P878-I882 HydrophobicContact CB-CG1 4.49Å; P878-I882 WeakPolarHBondContact O-CA 3.09Å; P878-I882 WeakPolarHBondContact O-CB 3.32Å; P878-I882 WeakPolarHBondContact O-CG1 3.31Å; P878-I882 PolarHBondContact O-N 3.4Å; K880-I882 VanDerWaalsContact C-N 3.29Å; K880-I882 PolarHBondContact O-N 3Å; I882-I885 CarbonylContact O-C 3.6Å; I882-I885 PolarHBondContact O-N 2.85Å; I882-M886 HydrophobicContact CG2-CE 3.81Å; I882-M886 HydrophobicContact CG2-CG 4.34Å; I882-M886 HydrophobicContact CG2-SD 4.25Å; I882-M886 WeakPolarHBondContact O-CB 3.43Å; I882-M886 VanDerWaalsContact O-CG 3.28Å; I882-M886 WeakPolarHBondContact O-CG 3.26Å; I882-M886 PolarHBondContact O-N 3.4Å
883	A	48.3	Very low	46.1	Very low	41 Å²	41	85.6 Å²	85.6	34%	0.339	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-38.5	170.2	0	0	0	0	0	111.8	S879 K880 I885 M886 L887	S879-A883 WeakPolarHBondContact O-CA 3.3Å; S879-A883 WeakPolarHBondContact O-CB 3.36Å; S879-A883 PolarHBondContact O-N 2.94Å; K880-A883 PolarHBondContact O-N 3.18Å; A883-I885 VanDerWaalsContact C-N 3.32Å; A883-M886 PolarHBondContact O-N 3.25Å; A883-L887 VanDerWaalsContact O-CB 3.31Å; A883-L887 WeakPolarHBondContact O-CB 3.36Å; A883-L887 VanDerWaalsContact O-CG 3.27Å; A883-L887 WeakPolarHBondContact O-CG 3.43Å; A883-L887 PolarHBondContact O-N 2.83Å
884	E	52	Low	47	Very low	112 Å²	112	84 Å²	84	52%	0.523	41%	0.407	S	S	.	.	H	α-helix	trans	-66.5	-32.6	171.2	-83.3	-163.6	-158	0	0	112.8	K880 E881 R888	K880-E884 PolarHBondContact O-N 3.21Å; E881-E884 PolarHBondContact O-N 2.02Å; E884-R888 VanDerWaalsContact O-CB 3.29Å; E884-R888 WeakPolarHBondContact O-CB 3.49Å; E884-R888 WeakPolarHBondContact O-CG 3.46Å; E884-R888 PolarHBondContact O-N 2.96Å; E884-R888 PolarHBondContact O-NE 3.43Å; E884-R888 IonicContact OE2-CZ 3.78Å; E884-R888 IonicContact OE2-NH2 2.61Å; E884-R888 PolarHBondContact OE2-NH2 2.78Å
885	I	45.6	Very low	48.1	Very low	82 Å²	82	85.4 Å²	85.4	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-70.1	-43.6	171.9	-72.2	162.1	0	0	0	110.1	E881 I882 A883 R888 Q889	E881-I885 WeakPolarHBondContact O-CB 3.25Å; E881-I885 WeakPolarHBondContact O-CD1 3.48Å; E881-I885 WeakPolarHBondContact O-CG1 3.47Å; E881-I885 PolarHBondContact O-N 3.05Å; I882-I885 CarbonylContact O-C 3.6Å; I882-I885 PolarHBondContact O-N 2.85Å; A883-I885 VanDerWaalsContact C-N 3.32Å; I885-R888 CarbonylContact O-C 3.45Å; I885-R888 PolarHBondContact O-N 2.97Å; I885-Q889 HydrophobicContact CG2-CG 4.48Å; I885-Q889 WeakPolarHBondContact O-CB 3.42Å; I885-Q889 VanDerWaalsContact O-CG 3.31Å; I885-Q889 WeakPolarHBondContact O-CG 3.5Å; I885-Q889 PolarHBondContact O-N 3.41Å
886	M	39.2	Very low	49.1	Very low	38 Å²	38	83.3 Å²	83.3	19%	0.187	41%	0.407	C	S	.	.	H	α-helix	trans	-66.7	-39.6	177.3	-74.7	-179.8	177.1	0	0	112.2	Y778 K779 Y795 I882 A883 Q889 H890	Y778-M886 HydrophobicContact CD2-CE 4.24Å; Y778-M886 HydrophobicContact CD2-SD 4.26Å; Y778-M886 HydrophobicContact CG-SD 4.41Å; K779-M886 WeakPolarHBondContact O-CE 3.44Å; Y795-M886 WeakPolarHBondContact OH-CE 3.11Å; Y795-M886 PolarHBondContact OH-SD 3.33Å; I882-M886 HydrophobicContact CG2-CE 3.81Å; I882-M886 HydrophobicContact CG2-CG 4.34Å; I882-M886 HydrophobicContact CG2-SD 4.25Å; I882-M886 WeakPolarHBondContact O-CB 3.43Å; I882-M886 VanDerWaalsContact O-CG 3.28Å; I882-M886 WeakPolarHBondContact O-CG 3.26Å; I882-M886 PolarHBondContact O-N 3.4Å; A883-M886 PolarHBondContact O-N 3.25Å; M886-Q889 PolarHBondContact O-N 3.29Å; M886-H890 WeakPolarHBondContact O-CB 3.27Å; M886-H890 PolarHBondContact O-N 2.62Å
887	L	54.9	Low	50.3	Low	118 Å²	118	84.8 Å²	84.8	62%	0.618	41%	0.411	S	S	*	.	H	α-helix	trans	-65.3	-42.6	172.8	-75.3	167.7	0	0	0	111.2	A883 Q889 H890 E891	A883-L887 VanDerWaalsContact O-CB 3.31Å; A883-L887 WeakPolarHBondContact O-CB 3.36Å; A883-L887 VanDerWaalsContact O-CG 3.27Å; A883-L887 WeakPolarHBondContact O-CG 3.43Å; A883-L887 PolarHBondContact O-N 2.83Å; L887-Q889 VanDerWaalsContact C-N 3.34Å; L887-H890 PolarHBondContact O-N 3.18Å; L887-E891 PolarHBondContact O-N 2.04Å
888	R	56.3	Low	51.6	Low	132 Å²	132	87.4 Å²	87.4	50%	0.498	42%	0.421	S	S	.	.	H	α-helix	trans	-67.9	-31.6	173.6	-79	-177.9	-86.5	-154	-6.3	113	E884 I885 D892	E884-R888 VanDerWaalsContact O-CB 3.29Å; E884-R888 WeakPolarHBondContact O-CB 3.49Å; E884-R888 WeakPolarHBondContact O-CG 3.46Å; E884-R888 PolarHBondContact O-N 2.96Å; E884-R888 PolarHBondContact O-NE 3.43Å; E884-R888 IonicContact OE2-CZ 3.78Å; E884-R888 IonicContact OE2-NH2 2.61Å; E884-R888 PolarHBondContact OE2-NH2 2.78Å; I885-R888 CarbonylContact O-C 3.45Å; I885-R888 PolarHBondContact O-N 2.97Å; R888-D892 VanDerWaalsContact O-CB 3.27Å; R888-D892 WeakPolarHBondContact O-CB 2.97Å; R888-D892 PolarHBondContact O-N 3.1Å
889	Q	48.2	Very low	52.9	Low	89 Å²	89	89.9 Å²	89.9	42%	0.416	43%	0.431	S	S	.	.	H	α-helix	trans	-68.2	-41.7	169.7	-76.8	-175.8	-98	0	0	111.2	I885 M886 L887 E891 D892 E893	I885-Q889 HydrophobicContact CG2-CG 4.48Å; I885-Q889 WeakPolarHBondContact O-CB 3.42Å; I885-Q889 VanDerWaalsContact O-CG 3.31Å; I885-Q889 WeakPolarHBondContact O-CG 3.5Å; I885-Q889 PolarHBondContact O-N 3.41Å; M886-Q889 PolarHBondContact O-N 3.29Å; L887-Q889 VanDerWaalsContact C-N 3.34Å; Q889-E891 VanDerWaalsContact C-N 3.32Å; Q889-E891 PolarHBondContact O-N 3.25Å; Q889-D892 PolarHBondContact O-N 2.88Å; Q889-E893 VanDerWaalsContact O-CB 3.23Å; Q889-E893 WeakPolarHBondContact O-CB 3.31Å; Q889-E893 VanDerWaalsContact O-CG 3.26Å; Q889-E893 WeakPolarHBondContact O-CG 3.49Å; Q889-E893 PolarHBondContact O-N 3.02Å
890	H	51.4	Low	54.2	Low	130 Å²	130	94.9 Å²	94.9	60%	0.602	46%	0.456	S	S	*	.	H	α-helix	trans	-67	-32.5	176.7	-161.8	-50.4	0	0	0	112.1	M886 L887 E894	M886-H890 WeakPolarHBondContact O-CB 3.27Å; M886-H890 PolarHBondContact O-N 2.62Å; L887-H890 PolarHBondContact O-N 3.18Å; H890-E894 WeakPolarHBondContact O-CB 3.28Å; H890-E894 PolarHBondContact O-N 3.48Å
891	E	60.1	Low	55.3	Low	106 Å²	106	95.6 Å²	95.6	50%	0.495	46%	0.463	S	S	.	.	H	α-helix	trans	-72.4	-42.9	169.2	-86.4	-163.5	-151.1	0	0	113.3	L887 Q889 E893 E894 K895	L887-E891 PolarHBondContact O-N 2.04Å; Q889-E891 VanDerWaalsContact C-N 3.32Å; Q889-E891 PolarHBondContact O-N 3.25Å; E891-E893 VanDerWaalsContact C-N 3.31Å; E891-E894 PolarHBondContact O-N 2.81Å; E891-K895 WeakPolarHBondContact O-CB 3.28Å; E891-K895 WeakPolarHBondContact O-CD 3.45Å; E891-K895 WeakPolarHBondContact O-CG 3.12Å; E891-K895 PolarHBondContact O-N 3.02Å; E891-K895 IonicContact OE2-NZ 2.98Å; E891-K895 PolarHBondContact OE2-NZ 2.9Å
892	D	54.6	Low	56.6	Low	56 Å²	56	97.5 Å²	97.5	30%	0.299	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-40.8	175.2	-83.2	-4.4	0	0	0	109.5	R131 R888 Q889 K895 E896	R131-D892 IonicContact CZ-OD2 3.59Å; R131-D892 IonicContact NH1-OD2 2.79Å; R131-D892 PolarHBondContact NH1-OD2 2.77Å; R131-D892 IonicContact NH2-OD2 3.89Å; R131-D892 PolarHBondContact NH2-OD2 2.9Å; R888-D892 VanDerWaalsContact O-CB 3.27Å; R888-D892 WeakPolarHBondContact O-CB 2.97Å; R888-D892 PolarHBondContact O-N 3.1Å; Q889-D892 PolarHBondContact O-N 2.88Å; D892-K895 CarbonylContact O-C 3.58Å; D892-K895 WeakPolarHBondContact O-CB 3.03Å; D892-K895 PolarHBondContact O-N 3.24Å; D892-E896 WeakPolarHBondContact O-CB 3.49Å; D892-E896 WeakPolarHBondContact O-CG 3.09Å; D892-E896 PolarHBondContact O-N 2.83Å
893	E	53.2	Low	58	Low	87 Å²	87	102.1 Å²	102.1	41%	0.407	49%	0.485	S	S	.	.	H	α-helix	trans	-70.8	-36.8	175.5	-75.2	172.7	-161.4	0	0	112.5	Q889 E891 K895 E896 N897	Q889-E893 VanDerWaalsContact O-CB 3.23Å; Q889-E893 WeakPolarHBondContact O-CB 3.31Å; Q889-E893 VanDerWaalsContact O-CG 3.26Å; Q889-E893 WeakPolarHBondContact O-CG 3.49Å; Q889-E893 PolarHBondContact O-N 3.02Å; E891-E893 VanDerWaalsContact C-N 3.31Å; E893-K895 VanDerWaalsContact C-N 3.32Å; E893-E896 PolarHBondContact O-N 2.76Å; E893-N897 VanDerWaalsContact O-CB 3.25Å; E893-N897 WeakPolarHBondContact O-CB 3.07Å; E893-N897 PolarHBondContact O-N 3.38Å; E893-N897 PolarHBondContact O-ND2 2.81Å
894	E	62.8	Low	59.3	Low	97 Å²	97	101.8 Å²	101.8	45%	0.453	49%	0.485	S	S	.	.	H	α-helix	trans	-67.5	-36.2	171.8	-160.1	-167	150.8	0	0	110.9	H890 E891 K898	H890-E894 WeakPolarHBondContact O-CB 3.28Å; H890-E894 PolarHBondContact O-N 3.48Å; E891-E894 PolarHBondContact O-N 2.81Å; E894-K898 WeakPolarHBondContact O-CB 3.49Å; E894-K898 VanDerWaalsContact O-CG 3.27Å; E894-K898 WeakPolarHBondContact O-CG 3.29Å; E894-K898 PolarHBondContact O-N 3.14Å; E894-K898 WeakPolarHBondContact OE1-CE 3.07Å; E894-K898 IonicContact OE1-NZ 2.76Å; E894-K898 PolarHBondContact OE1-NZ 3.17Å
895	K	60.2	Low	60.6	Low	110 Å²	110	101.5 Å²	101.5	48%	0.478	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-44.7	172.2	-73.3	162.6	-167.3	139	0	111.5	E891 D892 E893 K898 L899	E891-K895 WeakPolarHBondContact O-CB 3.28Å; E891-K895 WeakPolarHBondContact O-CD 3.45Å; E891-K895 WeakPolarHBondContact O-CG 3.12Å; E891-K895 PolarHBondContact O-N 3.02Å; E891-K895 IonicContact OE2-NZ 2.98Å; E891-K895 PolarHBondContact OE2-NZ 2.9Å; D892-K895 CarbonylContact O-C 3.58Å; D892-K895 WeakPolarHBondContact O-CB 3.03Å; D892-K895 PolarHBondContact O-N 3.24Å; E893-K895 VanDerWaalsContact C-N 3.32Å; K895-K898 PolarHBondContact O-N 2.96Å; K895-L899 WeakPolarHBondContact O-CB 3.49Å; K895-L899 PolarHBondContact O-N 3.25Å
896	E	55.9	Low	62.1	Low	126 Å²	126	104.5 Å²	104.5	59%	0.589	49%	0.493	S	S	*	.	H	α-helix	trans	-65.5	-42.2	175.7	-77.2	-165.9	170	0	0	111.5	D892 E893 K898 L899 I900	D892-E896 WeakPolarHBondContact O-CB 3.49Å; D892-E896 WeakPolarHBondContact O-CG 3.09Å; D892-E896 PolarHBondContact O-N 2.83Å; E893-E896 PolarHBondContact O-N 2.76Å; E896-K898 PolarHBondContact O-N 3.27Å; E896-L899 CarbonylContact O-C 3.46Å; E896-L899 WeakPolarHBondContact O-CA 3.06Å; E896-L899 WeakPolarHBondContact O-CB 3.48Å; E896-L899 PolarHBondContact O-N 3.25Å; E896-L899 VanDerWaalsContact O-N 3.11Å; E896-I900 WeakPolarHBondContact O-CB 3.22Å; E896-I900 WeakPolarHBondContact O-CD1 3.49Å; E896-I900 WeakPolarHBondContact O-CG1 3.03Å; E896-I900 PolarHBondContact O-N 2.65Å
897	N	63.1	Low	63.9	Low	98 Å²	98	105.3 Å²	105.3	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-63	-38.9	174.1	-80.3	-63.2	0	0	0	112.3	E893 I900 M901	E893-N897 VanDerWaalsContact O-CB 3.25Å; E893-N897 WeakPolarHBondContact O-CB 3.07Å; E893-N897 PolarHBondContact O-N 3.38Å; E893-N897 PolarHBondContact O-ND2 2.81Å; N897-I900 PolarHBondContact O-N 2.84Å; N897-M901 PolarHBondContact O-N 3.04Å
898	K	68.1	Low	65.1	Low	89 Å²	89	104 Å²	104	39%	0.387	50%	0.502	S	S	.	.	H	α-helix	trans	-64.2	-41.9	170	-75.9	171.1	-175	170.5	0	111.4	E894 K895 E896 I900 M901 Y902	E894-K898 WeakPolarHBondContact O-CB 3.49Å; E894-K898 VanDerWaalsContact O-CG 3.27Å; E894-K898 WeakPolarHBondContact O-CG 3.29Å; E894-K898 PolarHBondContact O-N 3.14Å; E894-K898 WeakPolarHBondContact OE1-CE 3.07Å; E894-K898 IonicContact OE1-NZ 2.76Å; E894-K898 PolarHBondContact OE1-NZ 3.17Å; K895-K898 PolarHBondContact O-N 2.96Å; E896-K898 PolarHBondContact O-N 3.27Å; K898-I900 PolarHBondContact O-N 2.66Å; K898-M901 HydrophobicContact CG-CE 4.23Å; K898-M901 WeakPolarHBondContact O-CB 3.39Å; K898-M901 PolarHBondContact O-N 3.43Å; K898-Y902 HydrophobicContact CB-CE2 4.25Å; K898-Y902 WeakPolarHBondContact O-CD2 3.37Å; K898-Y902 PolarHBondContact O-N 3.38Å
899	L	65.6	Low	66.3	Low	105 Å²	105	100.7 Å²	100.7	55%	0.55	50%	0.499	S	S	.	.	H	α-helix	trans	-63.3	-41	176.7	-143.6	81.4	0	0	0	111.8	K895 E896 Y902 F903	K895-L899 WeakPolarHBondContact O-CB 3.49Å; K895-L899 PolarHBondContact O-N 3.25Å; E896-L899 CarbonylContact O-C 3.46Å; E896-L899 WeakPolarHBondContact O-CA 3.06Å; E896-L899 WeakPolarHBondContact O-CB 3.48Å; E896-L899 PolarHBondContact O-N 3.25Å; E896-L899 VanDerWaalsContact O-N 3.11Å; L899-Y902 PolarHBondContact O-N 2.83Å; L899-F903 WeakPolarHBondContact O-CB 3.47Å; L899-F903 PolarHBondContact O-N 3.01Å
900	I	67.3	Low	67.7	Low	110 Å²	110	101.3 Å²	101.3	56%	0.564	50%	0.502	S	S	*	.	H	α-helix	trans	-65.9	-40.4	175.1	-70	163	0	0	0	110.4	E896 N897 K898 F903 G904	E896-I900 WeakPolarHBondContact O-CB 3.22Å; E896-I900 WeakPolarHBondContact O-CD1 3.49Å; E896-I900 WeakPolarHBondContact O-CG1 3.03Å; E896-I900 PolarHBondContact O-N 2.65Å; N897-I900 PolarHBondContact O-N 2.84Å; K898-I900 PolarHBondContact O-N 2.66Å; I900-F903 PolarHBondContact O-N 3.18Å; I900-G904 PolarHBondContact O-N 3.39Å
901	M	67.7	Low	68.9	Low	118 Å²	118	100.5 Å²	100.5	58%	0.581	50%	0.501	S	S	*	.	H	α-helix	trans	-60.9	-47.4	170.1	-86.1	-162.5	-67.9	0	0	112.1	N897 K898 F903 G904 I905	N897-M901 PolarHBondContact O-N 3.04Å; K898-M901 HydrophobicContact CG-CE 4.23Å; K898-M901 WeakPolarHBondContact O-CB 3.39Å; K898-M901 PolarHBondContact O-N 3.43Å; M901-F903 PolarHBondContact O-N 2.62Å; M901-G904 PolarHBondContact O-N 3.13Å; M901-I905 VanDerWaalsContact O-CG1 3.3Å; M901-I905 WeakPolarHBondContact O-CG1 3.43Å; M901-I905 PolarHBondContact O-N 3.28Å
902	Y	73.8	Confident	70	Confident	161 Å²	161	102.1 Å²	102.1	63%	0.631	51%	0.507	S	S	*	.	H	α-helix	trans	-63.8	-40.8	177.9	-68.6	-54.5	0	0	0	112	K898 L899 G904 I905 Y906	K898-Y902 HydrophobicContact CB-CE2 4.25Å; K898-Y902 WeakPolarHBondContact O-CD2 3.37Å; K898-Y902 PolarHBondContact O-N 3.38Å; L899-Y902 PolarHBondContact O-N 2.83Å; Y902-G904 VanDerWaalsContact C-N 3.35Å; Y902-I905 PolarHBondContact O-N 2.94Å; Y902-Y906 WeakPolarHBondContact O-CB 3.41Å; Y902-Y906 PolarHBondContact O-N 2.85Å
903	F	70.1	Confident	71.3	Confident	140 Å²	140	103.6 Å²	103.6	61%	0.614	52%	0.518	S	S	*	.	H	α-helix	trans	-63.6	-38.3	171.9	-102.2	-83.1	0	0	0	112.3	L899 I900 M901 Y906 A907	L899-F903 WeakPolarHBondContact O-CB 3.47Å; L899-F903 PolarHBondContact O-N 3.01Å; I900-F903 PolarHBondContact O-N 3.18Å; M901-F903 PolarHBondContact O-N 2.62Å; F903-Y906 PolarHBondContact O-N 2.74Å; F903-A907 WeakPolarHBondContact O-CB 3.23Å; F903-A907 PolarHBondContact O-N 3.02Å
904	G	74.7	Confident	72.5	Confident	33 Å²	33	102.5 Å²	102.5	34%	0.34	52%	0.519	S	S	.	.	H	α-helix	trans	-64.4	-47.3	175	0	0	0	0	0	112.3	I900 M901 Y902 Y906 A907 V908	I900-G904 PolarHBondContact O-N 3.39Å; M901-G904 PolarHBondContact O-N 3.13Å; Y902-G904 VanDerWaalsContact C-N 3.35Å; G904-Y906 VanDerWaalsContact C-N 3.35Å; G904-Y906 PolarHBondContact O-N 3.2Å; G904-A907 PolarHBondContact O-N 3.39Å; G904-V908 WeakPolarHBondContact O-CB 3.33Å; G904-V908 VanDerWaalsContact O-CG2 3.3Å; G904-V908 WeakPolarHBondContact O-CG2 3.14Å; G904-V908 PolarHBondContact O-N 3.49Å
905	I	80.4	Confident	73.4	Confident	106 Å²	106	102.4 Å²	102.4	54%	0.544	52%	0.521	S	S	.	.	H	α-helix	trans	-61.3	-44.5	175	-67.3	163.1	0	0	0	110.1	M901 Y902 S909	M901-I905 VanDerWaalsContact O-CG1 3.3Å; M901-I905 WeakPolarHBondContact O-CG1 3.43Å; M901-I905 PolarHBondContact O-N 3.28Å; Y902-I905 PolarHBondContact O-N 2.94Å; I905-S909 VanDerWaalsContact O-CB 3.29Å; I905-S909 WeakPolarHBondContact O-CB 3.41Å; I905-S909 PolarHBondContact O-N 2.93Å; I905-S909 PolarHBondContact O-OG 3.29Å
906	Y	77.3	Confident	74.2	Confident	145 Å²	145	100.5 Å²	100.5	57%	0.569	52%	0.521	S	S	*	.	H	α-helix	trans	-63.6	-44.5	177	-178.7	-99.5	0	0	0	112.1	Y902 F903 G904 S909 H910	Y902-Y906 WeakPolarHBondContact O-CB 3.41Å; Y902-Y906 PolarHBondContact O-N 2.85Å; F903-Y906 PolarHBondContact O-N 2.74Å; G904-Y906 VanDerWaalsContact C-N 3.35Å; G904-Y906 PolarHBondContact O-N 3.2Å; Y906-S909 PolarHBondContact O-N 3.09Å; Y906-H910 AromaticContact CD1-CD2 3.84Å; Y906-H910 AromaticContact CD2-CD2 3.9Å; Y906-H910 AromaticContact CE1-CD2 3.52Å; Y906-H910 AromaticContact CE2-CD2 3.6Å; Y906-H910 AromaticContact CZ-CD2 3.41Å; Y906-H910 VanDerWaalsContact CZ-CD2 3.41Å; Y906-H910 PolarHBondContact O-CD2 3.1Å; Y906-H910 PolarHBondContact O-N 3.22Å
907	A	75.6	Confident	75.2	Confident	56 Å²	56	102.1 Å²	102.1	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-66	-44.4	177.8	0	0	0	0	0	112.1	F903 G904 S909 H910 L911	F903-A907 WeakPolarHBondContact O-CB 3.23Å; F903-A907 PolarHBondContact O-N 3.02Å; G904-A907 PolarHBondContact O-N 3.39Å; A907-S909 VanDerWaalsContact C-N 3.35Å; A907-H910 PolarHBondContact O-N 2.97Å; A907-L911 WeakPolarHBondContact O-CB 3.26Å; A907-L911 PolarHBondContact O-N 2.9Å
908	V	81.1	Confident	75.8	Confident	90 Å²	90	102 Å²	102	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-41.8	173.3	169.6	0	0	0	0	110.9	G904 L911 F912	G904-V908 WeakPolarHBondContact O-CB 3.33Å; G904-V908 VanDerWaalsContact O-CG2 3.3Å; G904-V908 WeakPolarHBondContact O-CG2 3.14Å; G904-V908 PolarHBondContact O-N 3.49Å; V908-L911 PolarHBondContact O-N 3.28Å; V908-F912 PolarHBondContact O-N 2.85Å
909	S	80.4	Confident	76.1	Confident	62 Å²	62	105.2 Å²	105.2	43%	0.434	53%	0.53	S	S	.	.	H	α-helix	trans	-61.1	-46.2	176.1	-57.3	0	0	0	0	111.5	I905 Y906 A907 F912 V913	I905-S909 VanDerWaalsContact O-CB 3.29Å; I905-S909 WeakPolarHBondContact O-CB 3.41Å; I905-S909 PolarHBondContact O-N 2.93Å; I905-S909 PolarHBondContact O-OG 3.29Å; Y906-S909 PolarHBondContact O-N 3.09Å; A907-S909 VanDerWaalsContact C-N 3.35Å; S909-F912 WeakPolarHBondContact O-CB 3.39Å; S909-F912 PolarHBondContact O-N 3.04Å; S909-V913 WeakPolarHBondContact O-CG2 3.03Å; S909-V913 PolarHBondContact O-N 3.33Å
910	H	77.3	Confident	76.3	Confident	103 Å²	103	108.6 Å²	108.6	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-68.9	-34	176	-85.7	-67.7	0	0	0	113.2	Y906 A907 F912 V913 C914	Y906-H910 AromaticContact CD1-CD2 3.84Å; Y906-H910 AromaticContact CD2-CD2 3.9Å; Y906-H910 AromaticContact CE1-CD2 3.52Å; Y906-H910 AromaticContact CE2-CD2 3.6Å; Y906-H910 AromaticContact CZ-CD2 3.41Å; Y906-H910 VanDerWaalsContact CZ-CD2 3.41Å; Y906-H910 PolarHBondContact O-CD2 3.1Å; Y906-H910 PolarHBondContact O-N 3.22Å; A907-H910 PolarHBondContact O-N 2.97Å; H910-F912 VanDerWaalsContact C-N 3.32Å; H910-V913 PolarHBondContact O-N 2.63Å; H910-C914 WeakPolarHBondContact O-CB 3.38Å; H910-C914 PolarHBondContact O-N 3.1Å; H910-C914 PolarHBondContact O-SG 3.3Å
911	L	78.4	Confident	76.3	Confident	112 Å²	112	108 Å²	108	59%	0.586	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-42	172.7	-160.6	81.6	0	0	0	110.3	A907 V908 C914 I915	A907-L911 WeakPolarHBondContact O-CB 3.26Å; A907-L911 PolarHBondContact O-N 2.9Å; V908-L911 PolarHBondContact O-N 3.28Å; L911-C914 PolarHBondContact O-N 2.86Å; L911-I915 HydrophobicContact CD2-CD1 4.22Å; L911-I915 HydrophobicContact CG-CD1 4.02Å; L911-I915 WeakPolarHBondContact O-CB 3.2Å; L911-I915 WeakPolarHBondContact O-CD1 3.47Å; L911-I915 WeakPolarHBondContact O-CG1 3.38Å; L911-I915 PolarHBondContact O-N 3.39Å
912	F	82.1	Confident	76.1	Confident	141 Å²	141	108.6 Å²	108.6	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-61.9	-47.1	174.1	-123.5	-84.1	0	0	0	111.8	V908 S909 H910 C914 I915 C916	V908-F912 PolarHBondContact O-N 2.85Å; S909-F912 WeakPolarHBondContact O-CB 3.39Å; S909-F912 PolarHBondContact O-N 3.04Å; H910-F912 VanDerWaalsContact C-N 3.32Å; F912-C914 PolarHBondContact O-N 2.85Å; F912-I915 PolarHBondContact O-N 2.94Å; F912-C916 WeakPolarHBondContact O-CB 3.37Å; F912-C916 PolarHBondContact O-N 2.69Å; F912-C916 PolarHBondContact O-SG 2.83Å; F912-C916 VanDerWaalsContact O-SG 3.36Å
913	V	81.3	Confident	75.6	Confident	86 Å²	86	109 Å²	109	52%	0.521	54%	0.538	S	S	.	.	H	α-helix	trans	-59.7	-46.5	175.4	170.7	0	0	0	0	110.9	S909 H910 C916 W917	S909-V913 WeakPolarHBondContact O-CG2 3.03Å; S909-V913 PolarHBondContact O-N 3.33Å; H910-V913 PolarHBondContact O-N 2.63Å; V913-C916 PolarHBondContact O-N 3.5Å; V913-W917 WeakPolarHBondContact O-CB 3.38Å; V913-W917 PolarHBondContact O-N 3.42Å
914	C	78.8	Confident	75	Confident	65 Å²	65	104 Å²	104	44%	0.439	53%	0.526	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.5	-77.8	0	0	0	0	112.8	H910 L911 F912 W917 I918	H910-C914 WeakPolarHBondContact O-CB 3.38Å; H910-C914 PolarHBondContact O-N 3.1Å; H910-C914 PolarHBondContact O-SG 3.3Å; L911-C914 PolarHBondContact O-N 2.86Å; F912-C914 PolarHBondContact O-N 2.85Å; C914-W917 PolarHBondContact O-N 3.33Å; C914-I918 WeakPolarHBondContact O-CB 3.29Å; C914-I918 VanDerWaalsContact O-CG1 3.25Å; C914-I918 WeakPolarHBondContact O-CG1 3.21Å; C914-I918 PolarHBondContact O-N 3.37Å
915	I	81.5	Confident	74.2	Confident	94 Å²	94	106.3 Å²	106.3	48%	0.482	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-44	175	-72.2	164.4	0	0	0	110.2	L911 F912 W917 W919	L911-I915 HydrophobicContact CD2-CD1 4.22Å; L911-I915 HydrophobicContact CG-CD1 4.02Å; L911-I915 WeakPolarHBondContact O-CB 3.2Å; L911-I915 WeakPolarHBondContact O-CD1 3.47Å; L911-I915 WeakPolarHBondContact O-CG1 3.38Å; L911-I915 PolarHBondContact O-N 3.39Å; F912-I915 PolarHBondContact O-N 2.94Å; I915-W917 VanDerWaalsContact C-N 3.31Å; I915-W917 PolarHBondContact O-N 3.13Å; I915-W919 WeakPolarHBondContact O-CB 3.1Å; I915-W919 PolarHBondContact O-N 2.84Å
916	C	78.8	Confident	73.3	Confident	71 Å²	71	105.4 Å²	105.4	48%	0.48	53%	0.531	S	S	.	.	H	α-helix	trans	-62	-37.4	173.1	-72	0	0	0	0	112.3	F912 V913 W920	F912-C916 WeakPolarHBondContact O-CB 3.37Å; F912-C916 PolarHBondContact O-N 2.69Å; F912-C916 PolarHBondContact O-SG 2.83Å; F912-C916 VanDerWaalsContact O-SG 3.36Å; V913-C916 PolarHBondContact O-N 3.5Å; C916-W920 VanDerWaalsContact O-CB 3.3Å; C916-W920 WeakPolarHBondContact O-CB 3.33Å; C916-W920 PolarHBondContact O-N 3.49Å
917	W	75.6	Confident	72.7	Confident	159 Å²	159	102.8 Å²	102.8	60%	0.602	53%	0.532	S	S	*	.	H	α-helix	trans	-71.9	-44.1	178.8	-139.6	60.7	0	0	0	112.1	V913 C914 I915 W919 W920 I921	V913-W917 WeakPolarHBondContact O-CB 3.38Å; V913-W917 PolarHBondContact O-N 3.42Å; C914-W917 PolarHBondContact O-N 3.33Å; I915-W917 VanDerWaalsContact C-N 3.31Å; I915-W917 PolarHBondContact O-N 3.13Å; W917-W919 VanDerWaalsContact C-N 3.33Å; W917-W919 PolarHBondContact O-N 3.37Å; W917-W920 AromaticContact CD1-CE3 3.91Å; W917-W920 PolarHBondContact O-N 3.13Å; W917-I921 HydrophobicContact CD2-CD1 4.11Å; W917-I921 HydrophobicContact CE3-CD1 3.64Å; W917-I921 HydrophobicContact CZ3-CD1 3.93Å; W917-I921 WeakPolarHBondContact O-CB 3.36Å; W917-I921 VanDerWaalsContact O-CG1 3.3Å; W917-I921 WeakPolarHBondContact O-CG1 3.44Å; W917-I921 PolarHBondContact O-N 3.43Å
918	I	75.6	Confident	72.3	Confident	96 Å²	96	105.5 Å²	105.5	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-62.9	-40.1	173	-69	165	0	0	0	110.5	C914 I921 N922	C914-I918 WeakPolarHBondContact O-CB 3.29Å; C914-I918 VanDerWaalsContact O-CG1 3.25Å; C914-I918 WeakPolarHBondContact O-CG1 3.21Å; C914-I918 PolarHBondContact O-N 3.37Å; I918-I921 PolarHBondContact O-N 3.37Å; I918-N922 VanDerWaalsContact O-CB 3.24Å; I918-N922 WeakPolarHBondContact O-CB 3.32Å; I918-N922 VanDerWaalsContact O-CG 3.26Å; I918-N922 PolarHBondContact O-N 2.8Å; I918-N922 PolarHBondContact O-ND2 2.86Å
919	W	74.3	Confident	71.7	Confident	156 Å²	156	107 Å²	107	59%	0.591	54%	0.535	S	S	*	.	H	α-helix	trans	-68.3	-33.4	175.6	-173.1	93.2	0	0	0	112.5	I915 W917 R923	I915-W919 WeakPolarHBondContact O-CB 3.1Å; I915-W919 PolarHBondContact O-N 2.84Å; W917-W919 VanDerWaalsContact C-N 3.33Å; W917-W919 PolarHBondContact O-N 3.37Å; W919-R923 VanDerWaalsContact CH2-NH1 3.35Å; W919-R923 VanDerWaalsContact O-CB 3.3Å; W919-R923 WeakPolarHBondContact O-CB 3.24Å; W919-R923 WeakPolarHBondContact O-CG 3.14Å; W919-R923 PolarHBondContact O-N 3.26Å; W919-R923 VanDerWaalsContact O-N 3.1Å
920	W	70.4	Confident	71.2	Confident	177 Å²	177	108.6 Å²	108.6	67%	0.67	54%	0.535	S	S	*	.	H	α-helix	trans	-71	-43	173.1	-173.8	20	0	0	0	111.5	C916 W917 R923 G924	C916-W920 VanDerWaalsContact O-CB 3.3Å; C916-W920 WeakPolarHBondContact O-CB 3.33Å; C916-W920 PolarHBondContact O-N 3.49Å; W917-W920 AromaticContact CD1-CE3 3.91Å; W917-W920 PolarHBondContact O-N 3.13Å; W920-R923 CarbonylContact O-C 3.52Å; W920-R923 VanDerWaalsContact O-C 3.31Å; W920-R923 PolarHBondContact O-N 2.04Å; W920-G924 PolarHBondContact O-N 2.67Å
921	I	66.8	Low	71	Confident	97 Å²	97	110.1 Å²	110.1	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-63.5	-46.8	174.9	-70	164.6	0	0	0	110.9	W917 I918 R923 G924	W917-I921 HydrophobicContact CD2-CD1 4.11Å; W917-I921 HydrophobicContact CE3-CD1 3.64Å; W917-I921 HydrophobicContact CZ3-CD1 3.93Å; W917-I921 WeakPolarHBondContact O-CB 3.36Å; W917-I921 VanDerWaalsContact O-CG1 3.3Å; W917-I921 WeakPolarHBondContact O-CG1 3.44Å; W917-I921 PolarHBondContact O-N 3.43Å; I918-I921 PolarHBondContact O-N 3.37Å; I921-R923 PolarHBondContact O-N 2.92Å; I921-G924 WeakPolarHBondContact O-CA 3.48Å; I921-G924 PolarHBondContact O-N 2.97Å
922	N	64	Low	71	Confident	130 Å²	130	110.1 Å²	110.1	70%	0.695	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-4	177.3	-68.1	-15.9	0	0	0	113.8	I918	I918-N922 VanDerWaalsContact O-CB 3.24Å; I918-N922 WeakPolarHBondContact O-CB 3.32Å; I918-N922 VanDerWaalsContact O-CG 3.26Å; I918-N922 PolarHBondContact O-N 2.8Å; I918-N922 PolarHBondContact O-ND2 2.86Å
923	R	63.3	Low	70.9	Confident	171 Å²	171	108 Å²	108	65%	0.645	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	4.9	165.2	-73.2	-174.2	164.6	-151.3	-3.5	112.8	W919 W920 I921	W919-R923 VanDerWaalsContact CH2-NH1 3.35Å; W919-R923 VanDerWaalsContact O-CB 3.3Å; W919-R923 WeakPolarHBondContact O-CB 3.24Å; W919-R923 WeakPolarHBondContact O-CG 3.14Å; W919-R923 PolarHBondContact O-N 3.26Å; W919-R923 VanDerWaalsContact O-N 3.1Å; W920-R923 CarbonylContact O-C 3.52Å; W920-R923 VanDerWaalsContact O-C 3.31Å; W920-R923 PolarHBondContact O-N 2.04Å; I921-R923 PolarHBondContact O-N 2.92Å
924	G	56.5	Low	70.8	Confident	35 Å²	35	109.4 Å²	109.4	36%	0.361	53%	0.532	S	S	.	.	S	Bend	trans	-62.4	142.5	169.4	0	0	0	0	0	108.6	W920 I921 D926	W920-G924 PolarHBondContact O-N 2.67Å; I921-G924 WeakPolarHBondContact O-CA 3.48Å; I921-G924 PolarHBondContact O-N 2.97Å; G924-D926 PolarHBondContact O-N 3.14Å
925	P	59.2	Low	71	Confident	81 Å²	81	112.4 Å²	112.4	53%	0.526	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-60.5	138.4	169.4	29.9	-35.2	0	0	0	108.8	P927 E930	P925-P927 WeakPolarHBondContact O-CD 3.01Å; P925-E930 HydrophobicContact CB-CG 3.8Å; P925-E930 WeakPolarHBondContact CB-OE1 2.87Å; P925-E930 HydrophobicContact CG-CG 4.14Å; P925-E930 WeakPolarHBondContact CG-OE1 3.36Å
926	D	62.1	Low	71	Confident	87 Å²	87	110.9 Å²	110.9	47%	0.465	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-58.1	117.8	179.6	166.3	-6.1	0	0	0	109.7	G924 E928 K929 E930	G924-D926 PolarHBondContact O-N 3.14Å; D926-E928 VanDerWaalsContact C-N 3.25Å; D926-E928 PolarHBondContact O-N 2.74Å; D926-E928 WeakPolarHBondContact OD1-CA 3.27Å; D926-E928 WeakPolarHBondContact OD1-CB 3.44Å; D926-E928 PolarHBondContact OD1-N 3.32Å; D926-K929 HydrophobicContact CB-CB 3.72Å; D926-K929 HydrophobicContact CB-CD 4.5Å; D926-K929 CarbonylContact O-C 3.48Å; D926-K929 WeakPolarHBondContact O-CA 3.38Å; D926-K929 WeakPolarHBondContact O-CB 3.25Å; D926-K929 PolarHBondContact O-N 2.94Å; D926-K929 PolarHBondContact OD1-N 2.95Å; D926-K929 VanDerWaalsContact OD1-N 3.14Å; D926-E930 PolarHBondContact O-N 2.8Å
927	P	63	Low	71.3	Confident	90 Å²	90	111.6 Å²	111.6	58%	0.584	53%	0.532	S	S	*	.	H	α-helix	trans	-75.8	-8.8	-173	31.6	-36.8	0	0	0	113.8	P925 R931	P925-P927 WeakPolarHBondContact O-CD 3.01Å; P927-R931 WeakPolarHBondContact O-CG 3.44Å; P927-R931 PolarHBondContact O-NE 2.85Å
928	E	68	Low	71.6	Confident	112 Å²	112	109 Å²	109	52%	0.523	53%	0.526	S	S	.	.	H	α-helix	trans	-80.5	-41.4	165	-160.4	118.5	-98.4	0	0	109.7	D926 R931 Q932	D926-E928 VanDerWaalsContact C-N 3.25Å; D926-E928 PolarHBondContact O-N 2.74Å; D926-E928 WeakPolarHBondContact OD1-CA 3.27Å; D926-E928 WeakPolarHBondContact OD1-CB 3.44Å; D926-E928 PolarHBondContact OD1-N 3.32Å; E928-R931 PolarHBondContact O-N 2.63Å; E928-R931 IonicContact OE1-CZ 3.18Å; E928-R931 IonicContact OE1-NH2 2.61Å; E928-R931 PolarHBondContact OE1-NH2 2.96Å; E928-Q932 WeakPolarHBondContact O-CG 3.41Å; E928-Q932 PolarHBondContact O-N 2.89Å
929	K	68.5	Low	72	Confident	123 Å²	123	109.9 Å²	109.9	54%	0.535	53%	0.528	S	S	.	.	H	α-helix	trans	-71.4	-32.9	177.2	-158.9	168.9	-168.8	166.4	0	113.7	D926 N933	D926-K929 HydrophobicContact CB-CB 3.72Å; D926-K929 HydrophobicContact CB-CD 4.5Å; D926-K929 CarbonylContact O-C 3.48Å; D926-K929 WeakPolarHBondContact O-CA 3.38Å; D926-K929 WeakPolarHBondContact O-CB 3.25Å; D926-K929 PolarHBondContact O-N 2.94Å; D926-K929 PolarHBondContact OD1-N 2.95Å; D926-K929 VanDerWaalsContact OD1-N 3.14Å; K929-N933 WeakPolarHBondContact O-CB 3.49Å; K929-N933 PolarHBondContact O-N 2.88Å; K929-N933 PolarHBondContact O-ND2 3.29Å; K929-N933 VanDerWaalsContact O-ND2 3.17Å
930	E	69.9	Low	72.6	Confident	94 Å²	94	106.8 Å²	106.8	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-68.6	-37.4	169.9	-73.3	-159.7	137	0	0	112	P925 D926 N933 L934	P925-E930 HydrophobicContact CB-CG 3.8Å; P925-E930 WeakPolarHBondContact CB-OE1 2.87Å; P925-E930 HydrophobicContact CG-CG 4.14Å; P925-E930 WeakPolarHBondContact CG-OE1 3.36Å; D926-E930 PolarHBondContact O-N 2.8Å; E930-N933 PolarHBondContact O-N 2.86Å; E930-L934 WeakPolarHBondContact O-CB 3.28Å; E930-L934 WeakPolarHBondContact O-CG 3.26Å; E930-L934 PolarHBondContact O-N 2.87Å
931	R	74.1	Confident	73.3	Confident	136 Å²	136	104 Å²	104	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-45.5	172	-79.8	-179.4	-70.9	152.3	12.7	111.6	P927 E928 N933 L934 E935	P927-R931 WeakPolarHBondContact O-CG 3.44Å; P927-R931 PolarHBondContact O-NE 2.85Å; E928-R931 PolarHBondContact O-N 2.63Å; E928-R931 IonicContact OE1-CZ 3.18Å; E928-R931 IonicContact OE1-NH2 2.61Å; E928-R931 PolarHBondContact OE1-NH2 2.96Å; R931-N933 VanDerWaalsContact C-N 3.33Å; R931-N933 PolarHBondContact O-N 2.84Å; R931-L934 PolarHBondContact O-N 2.72Å; R931-E935 WeakPolarHBondContact O-CG 3.38Å; R931-E935 PolarHBondContact O-N 2.95Å
932	Q	77.2	Confident	74.2	Confident	112 Å²	112	105.7 Å²	105.7	52%	0.523	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-40.2	173	-71.1	174.5	3.9	0	0	112.5	E928 V936	E928-Q932 WeakPolarHBondContact O-CG 3.41Å; E928-Q932 PolarHBondContact O-N 2.89Å; Q932-V936 VanDerWaalsContact O-CB 3.32Å; Q932-V936 WeakPolarHBondContact O-CB 3.12Å; Q932-V936 VanDerWaalsContact O-CG2 3.23Å; Q932-V936 WeakPolarHBondContact O-CG2 3.4Å; Q932-V936 PolarHBondContact O-N 2.8Å
933	N	80.3	Confident	75.1	Confident	97 Å²	97	104.5 Å²	104.5	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-66.5	-37	175.3	-73.2	-29.4	0	0	0	112.4	K929 E930 R931 E937	K929-N933 WeakPolarHBondContact O-CB 3.49Å; K929-N933 PolarHBondContact O-N 2.88Å; K929-N933 PolarHBondContact O-ND2 3.29Å; K929-N933 VanDerWaalsContact O-ND2 3.17Å; E930-N933 PolarHBondContact O-N 2.86Å; R931-N933 VanDerWaalsContact C-N 3.33Å; R931-N933 PolarHBondContact O-N 2.84Å; N933-E937 PolarHBondContact O-N 3.36Å
934	L	79.9	Confident	76.1	Confident	114 Å²	114	101.4 Å²	101.4	60%	0.597	50%	0.498	S	S	*	.	H	α-helix	trans	-68.7	-44.8	175.6	-80.8	163.8	0	0	0	111.7	E930 R931 V936 E937 E938	E930-L934 WeakPolarHBondContact O-CB 3.28Å; E930-L934 WeakPolarHBondContact O-CG 3.26Å; E930-L934 PolarHBondContact O-N 2.87Å; R931-L934 PolarHBondContact O-N 2.72Å; L934-V936 VanDerWaalsContact C-N 3.29Å; L934-V936 PolarHBondContact O-N 2.95Å; L934-E937 PolarHBondContact O-N 2.94Å; L934-E938 PolarHBondContact O-N 3.39Å
935	E	81.3	Confident	77.4	Confident	128 Å²	128	106.8 Å²	106.8	60%	0.598	51%	0.513	S	S	*	.	H	α-helix	trans	-58.4	-42.2	173.5	-72.8	171.3	176.5	0	0	111.2	R931 E939	R931-E935 WeakPolarHBondContact O-CG 3.38Å; R931-E935 PolarHBondContact O-N 2.95Å; E935-E939 WeakPolarHBondContact O-CB 3.26Å; E935-E939 PolarHBondContact O-N 3.22Å
936	V	82.4	Confident	78.4	Confident	63 Å²	63	106.6 Å²	106.6	38%	0.382	51%	0.511	S	S	.	.	H	α-helix	trans	-70.9	-33.9	176.6	167.4	0	0	0	0	112.9	Q932 L934 K940	Q932-V936 VanDerWaalsContact O-CB 3.32Å; Q932-V936 WeakPolarHBondContact O-CB 3.12Å; Q932-V936 VanDerWaalsContact O-CG2 3.23Å; Q932-V936 WeakPolarHBondContact O-CG2 3.4Å; Q932-V936 PolarHBondContact O-N 2.8Å; L934-V936 VanDerWaalsContact C-N 3.29Å; L934-V936 PolarHBondContact O-N 2.95Å; V936-K940 HydrophobicContact CG1-CD 4.21Å; V936-K940 WeakPolarHBondContact O-CB 3.28Å; V936-K940 WeakPolarHBondContact O-CD 3.38Å; V936-K940 WeakPolarHBondContact O-CG 3.44Å; V936-K940 PolarHBondContact O-N 2.9Å
937	E	84.1	Confident	79.2	Confident	86 Å²	86	105 Å²	105	40%	0.402	51%	0.51	S	S	.	.	H	α-helix	trans	-73.6	-40.1	171.7	-74.5	-58.8	146	0	0	112	N933 L934 E939 K940 E941	N933-E937 PolarHBondContact O-N 3.36Å; L934-E937 PolarHBondContact O-N 2.94Å; E937-E939 VanDerWaalsContact C-N 3.3Å; E937-E939 PolarHBondContact O-N 3.3Å; E937-K940 VanDerWaalsContact CD-CD 3.46Å; E937-K940 HydrophobicContact CG-CD 4.5Å; E937-K940 CarbonylContact O-C 3.45Å; E937-K940 WeakPolarHBondContact O-CB 3.4Å; E937-K940 PolarHBondContact O-N 3.05Å; E937-K940 VanDerWaalsContact O-N 3.16Å; E937-K940 VanDerWaalsContact OE1-CD 3.23Å; E937-K940 WeakPolarHBondContact OE1-CD 3.18Å; E937-K940 WeakPolarHBondContact OE1-CE 3.38Å; E937-K940 IonicContact OE1-NZ 2.74Å; E937-K940 PolarHBondContact OE1-NZ 3.24Å; E937-K940 WeakPolarHBondContact OE2-CD 2.98Å; E937-E941 WeakPolarHBondContact O-CG 3.47Å; E937-E941 PolarHBondContact O-N 2.97Å
938	E	83.8	Confident	80	Confident	103 Å²	103	106 Å²	106	48%	0.481	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-40.8	170.4	-74.5	-164.2	-177.3	0	0	111.6	L934 E941 R942	L934-E938 PolarHBondContact O-N 3.39Å; E938-E941 PolarHBondContact O-N 3.22Å; E938-R942 VanDerWaalsContact CB-NH2 3.26Å; E938-R942 WeakPolarHBondContact O-CB 3.37Å; E938-R942 WeakPolarHBondContact O-CG 3.48Å; E938-R942 PolarHBondContact O-N 3.48Å; E938-R942 IonicContact OE2-CZ 3.99Å; E938-R942 IonicContact OE2-NH1 3Å; E938-R942 PolarHBondContact OE2-NH1 2.79Å; E938-R942 IonicContact OE2-NH2 2.61Å; E938-R942 PolarHBondContact OE2-NH2 2.68Å
939	E	83.9	Confident	80.3	Confident	115 Å²	115	103.2 Å²	103.2	54%	0.537	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-41	174.9	-169.2	175.4	-149.7	0	0	111.2	E935 E937 E941 R942 L943	E935-E939 WeakPolarHBondContact O-CB 3.26Å; E935-E939 PolarHBondContact O-N 3.22Å; E937-E939 VanDerWaalsContact C-N 3.3Å; E937-E939 PolarHBondContact O-N 3.3Å; E939-E941 VanDerWaalsContact C-N 3.32Å; E939-E941 PolarHBondContact O-N 3.28Å; E939-R942 PolarHBondContact O-N 3.3Å; E939-L943 HydrophobicContact CG-CD1 4.07Å; E939-L943 HydrophobicContact CG-CG 4.46Å; E939-L943 VanDerWaalsContact O-CB 3.26Å; E939-L943 WeakPolarHBondContact O-CB 3.08Å; E939-L943 WeakPolarHBondContact O-CG 3.15Å; E939-L943 PolarHBondContact O-N 3.19Å
940	K	85.8	Confident	80.3	Confident	91 Å²	91	101.9 Å²	101.9	40%	0.396	50%	0.497	S	S	.	.	H	α-helix	trans	-61.6	-36.7	170.9	-75.2	160.1	-179.1	162.7	0	112.4	V936 E937 L943 K944	V936-K940 HydrophobicContact CG1-CD 4.21Å; V936-K940 WeakPolarHBondContact O-CB 3.28Å; V936-K940 WeakPolarHBondContact O-CD 3.38Å; V936-K940 WeakPolarHBondContact O-CG 3.44Å; V936-K940 PolarHBondContact O-N 2.9Å; E937-K940 VanDerWaalsContact CD-CD 3.46Å; E937-K940 HydrophobicContact CG-CD 4.5Å; E937-K940 CarbonylContact O-C 3.45Å; E937-K940 WeakPolarHBondContact O-CB 3.4Å; E937-K940 PolarHBondContact O-N 3.05Å; E937-K940 VanDerWaalsContact O-N 3.16Å; E937-K940 VanDerWaalsContact OE1-CD 3.23Å; E937-K940 WeakPolarHBondContact OE1-CD 3.18Å; E937-K940 WeakPolarHBondContact OE1-CE 3.38Å; E937-K940 IonicContact OE1-NZ 2.74Å; E937-K940 PolarHBondContact OE1-NZ 3.24Å; E937-K940 WeakPolarHBondContact OE2-CD 2.98Å; K940-L943 PolarHBondContact O-N 3.49Å; K940-K944 WeakPolarHBondContact O-CB 3.34Å; K940-K944 WeakPolarHBondContact O-CG 3.42Å; K940-K944 PolarHBondContact O-N 3.49Å
941	E	85.4	Confident	80.1	Confident	118 Å²	118	100 Å²	100	55%	0.551	50%	0.498	S	S	*	.	H	α-helix	trans	-71.7	-45.6	177.2	-65.2	-146.9	134.2	0	0	111.7	E937 E938 E939 L943 K944 E945	E937-E941 WeakPolarHBondContact O-CG 3.47Å; E937-E941 PolarHBondContact O-N 2.97Å; E938-E941 PolarHBondContact O-N 3.22Å; E939-E941 VanDerWaalsContact C-N 3.32Å; E939-E941 PolarHBondContact O-N 3.28Å; E941-L943 VanDerWaalsContact C-N 3.26Å; E941-L943 PolarHBondContact O-N 2.87Å; E941-K944 HydrophobicContact CG-CD 4.5Å; E941-K944 WeakPolarHBondContact O-CA 3.19Å; E941-K944 WeakPolarHBondContact O-CB 3.41Å; E941-K944 PolarHBondContact O-N 2.68Å; E941-K944 IonicContact OE1-NZ 3.76Å; E941-E945 PolarHBondContact O-N 3.04Å
942	R	85.6	Confident	79.5	Confident	134 Å²	134	100.2 Å²	100.2	51%	0.506	50%	0.503	S	S	.	.	H	α-helix	trans	-55.9	-41.5	170	-72.5	-175.7	-83.8	-106.2	3.4	111.5	E938 E939 E945 V946	E938-R942 VanDerWaalsContact CB-NH2 3.26Å; E938-R942 WeakPolarHBondContact O-CB 3.37Å; E938-R942 WeakPolarHBondContact O-CG 3.48Å; E938-R942 PolarHBondContact O-N 3.48Å; E938-R942 IonicContact OE2-CZ 3.99Å; E938-R942 IonicContact OE2-NH1 3Å; E938-R942 PolarHBondContact OE2-NH1 2.79Å; E938-R942 IonicContact OE2-NH2 2.61Å; E938-R942 PolarHBondContact OE2-NH2 2.68Å; E939-R942 PolarHBondContact O-N 3.3Å; R942-E945 PolarHBondContact O-N 2.9Å; R942-V946 WeakPolarHBondContact O-CB 3.48Å; R942-V946 VanDerWaalsContact O-CG2 3.29Å; R942-V946 WeakPolarHBondContact O-CG2 3.38Å; R942-V946 PolarHBondContact O-N 3Å
943	L	82.6	Confident	78.6	Confident	105 Å²	105	103.1 Å²	103.1	55%	0.55	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-33.9	174.5	-72.7	170.1	0	0	0	113.3	E939 K940 E941 A947	E939-L943 HydrophobicContact CG-CD1 4.07Å; E939-L943 HydrophobicContact CG-CG 4.46Å; E939-L943 VanDerWaalsContact O-CB 3.26Å; E939-L943 WeakPolarHBondContact O-CB 3.08Å; E939-L943 WeakPolarHBondContact O-CG 3.15Å; E939-L943 PolarHBondContact O-N 3.19Å; K940-L943 PolarHBondContact O-N 3.49Å; E941-L943 VanDerWaalsContact C-N 3.26Å; E941-L943 PolarHBondContact O-N 2.87Å; L943-A947 WeakPolarHBondContact O-CB 3.4Å; L943-A947 PolarHBondContact O-N 3.4Å
944	K	85.7	Confident	77.1	Confident	106 Å²	106	103.5 Å²	103.5	46%	0.461	52%	0.519	S	S	.	.	H	α-helix	trans	-65	-45.2	171.5	-75.1	164.3	-161.3	154.4	0	110.8	K940 E941 A947 E948	K940-K944 WeakPolarHBondContact O-CB 3.34Å; K940-K944 WeakPolarHBondContact O-CG 3.42Å; K940-K944 PolarHBondContact O-N 3.49Å; E941-K944 HydrophobicContact CG-CD 4.5Å; E941-K944 WeakPolarHBondContact O-CA 3.19Å; E941-K944 WeakPolarHBondContact O-CB 3.41Å; E941-K944 PolarHBondContact O-N 2.68Å; E941-K944 IonicContact OE1-NZ 3.76Å; K944-A947 CarbonylContact O-C 3.59Å; K944-A947 PolarHBondContact O-N 2.9Å; K944-E948 WeakPolarHBondContact O-CB 3.39Å; K944-E948 PolarHBondContact O-N 3Å
945	E	82	Confident	75.4	Confident	147 Å²	147	106.9 Å²	106.9	69%	0.687	53%	0.529	S	S	*	.	H	α-helix	trans	-62.5	-45.8	177.3	-70.1	-166.4	138.5	0	0	111.7	E941 R942 E948 S949	E941-E945 PolarHBondContact O-N 3.04Å; R942-E945 PolarHBondContact O-N 2.9Å; E945-E948 PolarHBondContact O-N 2.86Å; E945-S949 WeakPolarHBondContact O-CB 3.25Å; E945-S949 PolarHBondContact O-N 2.02Å
946	V	81.2	Confident	73.6	Confident	78 Å²	78	110.4 Å²	110.4	47%	0.473	54%	0.542	S	S	.	.	H	α-helix	trans	-60.2	-47.5	173.7	169.8	0	0	0	0	110.4	R942 E948 S949 L950	R942-V946 WeakPolarHBondContact O-CB 3.48Å; R942-V946 VanDerWaalsContact O-CG2 3.29Å; R942-V946 WeakPolarHBondContact O-CG2 3.38Å; R942-V946 PolarHBondContact O-N 3Å; V946-E948 PolarHBondContact O-N 3.36Å; V946-S949 PolarHBondContact O-N 3.38Å; V946-S949 VanDerWaalsContact O-N 3.17Å; V946-S949 PolarHBondContact O-OG 2.91Å; V946-L950 HydrophobicContact CG1-CD1 3.93Å; V946-L950 WeakPolarHBondContact O-CG 3.28Å; V946-L950 PolarHBondContact O-N 3.08Å
947	A	78.6	Confident	71.4	Confident	54 Å²	54	113.2 Å²	113.2	45%	0.446	56%	0.562	S	S	.	*	H	α-helix	trans	-63	-37.7	177.8	0	0	0	0	0	112.6	L943 K944 L950 A951	L943-A947 WeakPolarHBondContact O-CB 3.4Å; L943-A947 PolarHBondContact O-N 3.4Å; K944-A947 CarbonylContact O-C 3.59Å; K944-A947 PolarHBondContact O-N 2.9Å; A947-L950 PolarHBondContact O-N 3.03Å; A947-A951 WeakPolarHBondContact O-CB 3.34Å; A947-A951 PolarHBondContact O-N 2.77Å
948	E	80.2	Confident	69.1	Low	109 Å²	109	120 Å²	120	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-66.8	-39.8	172.5	-84.2	-151.9	-166.9	0	0	112	K944 E945 V946 L950 A951 K952	K944-E948 WeakPolarHBondContact O-CB 3.39Å; K944-E948 PolarHBondContact O-N 3Å; E945-E948 PolarHBondContact O-N 2.86Å; V946-E948 PolarHBondContact O-N 3.36Å; E948-L950 VanDerWaalsContact C-N 3.27Å; E948-L950 PolarHBondContact O-N 2.99Å; E948-A951 PolarHBondContact O-N 2.91Å; E948-K952 VanDerWaalsContact O-CB 3.28Å; E948-K952 WeakPolarHBondContact O-CB 3.37Å; E948-K952 WeakPolarHBondContact O-CD 3.29Å; E948-K952 WeakPolarHBondContact O-CG 3.48Å; E948-K952 PolarHBondContact O-N 2.89Å; E948-K952 VanDerWaalsContact OE2-CE 3.26Å; E948-K952 WeakPolarHBondContact OE2-CE 3.37Å; E948-K952 IonicContact OE2-NZ 2.62Å; E948-K952 PolarHBondContact OE2-NZ 3.29Å
949	S	72.9	Confident	67	Low	54 Å²	54	126.6 Å²	126.6	38%	0.378	61%	0.605	S	S	.	*	H	α-helix	trans	-62.5	-37	175.4	85.9	0	0	0	0	111.7	E945 V946 K953	E945-S949 WeakPolarHBondContact O-CB 3.25Å; E945-S949 PolarHBondContact O-N 2.02Å; V946-S949 PolarHBondContact O-N 3.38Å; V946-S949 VanDerWaalsContact O-N 3.17Å; V946-S949 PolarHBondContact O-OG 2.91Å; S949-K953 WeakPolarHBondContact O-CG 3.45Å; S949-K953 PolarHBondContact O-N 2.84Å
950	L	70.5	Confident	64.6	Low	95 Å²	95	132.7 Å²	132.7	50%	0.497	62%	0.623	S	S	.	*	H	α-helix	trans	-75.2	-40.2	176.1	-67.8	169.8	0	0	0	111.9	V946 A947 E948 K953 T954	V946-L950 HydrophobicContact CG1-CD1 3.93Å; V946-L950 WeakPolarHBondContact O-CG 3.28Å; V946-L950 PolarHBondContact O-N 3.08Å; A947-L950 PolarHBondContact O-N 3.03Å; E948-L950 VanDerWaalsContact C-N 3.27Å; E948-L950 PolarHBondContact O-N 2.99Å; L950-K953 CarbonylContact O-C 3.41Å; L950-K953 WeakPolarHBondContact O-CA 3.5Å; L950-K953 WeakPolarHBondContact O-CB 3.17Å; L950-K953 PolarHBondContact O-N 3.14Å; L950-K953 VanDerWaalsContact O-N 3.11Å; L950-T954 PolarHBondContact O-N 3.4Å; L950-T954 VanDerWaalsContact O-N 3.1Å; L950-T954 PolarHBondContact O-OG1 2.75Å
951	A	64.7	Low	62.4	Low	54 Å²	54	133.6 Å²	133.6	45%	0.446	64%	0.638	S	S	.	*	H	α-helix	trans	-65.6	-38.8	175.5	0	0	0	0	0	112	A947 E948 K953 T954	A947-A951 WeakPolarHBondContact O-CB 3.34Å; A947-A951 PolarHBondContact O-N 2.77Å; E948-A951 PolarHBondContact O-N 2.91Å; A951-K953 PolarHBondContact O-N 3.01Å; A951-T954 WeakPolarHBondContact CA-OG1 2.95Å; A951-T954 PolarHBondContact O-N 3.49Å
952	K	61.6	Low	59.8	Low	142 Å²	142	133.6 Å²	133.6	62%	0.617	65%	0.651	S	S	*	*	H	α-helix	trans	-62.7	-29.2	171.9	-72.4	161.7	-169	164.1	0	111.6	E948	E948-K952 VanDerWaalsContact O-CB 3.28Å; E948-K952 WeakPolarHBondContact O-CB 3.37Å; E948-K952 WeakPolarHBondContact O-CD 3.29Å; E948-K952 WeakPolarHBondContact O-CG 3.48Å; E948-K952 PolarHBondContact O-N 2.89Å; E948-K952 VanDerWaalsContact OE2-CE 3.26Å; E948-K952 WeakPolarHBondContact OE2-CE 3.37Å; E948-K952 IonicContact OE2-NZ 2.62Å; E948-K952 PolarHBondContact OE2-NZ 3.29Å
953	K	57.2	Low	57.3	Low	173 Å²	173	130.6 Å²	130.6	75%	0.752	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-9.6	171	-71.9	175.4	179.5	176.4	0	115.1	S949 L950 A951	S949-K953 WeakPolarHBondContact O-CG 3.45Å; S949-K953 PolarHBondContact O-N 2.84Å; L950-K953 CarbonylContact O-C 3.41Å; L950-K953 WeakPolarHBondContact O-CA 3.5Å; L950-K953 WeakPolarHBondContact O-CB 3.17Å; L950-K953 PolarHBondContact O-N 3.14Å; L950-K953 VanDerWaalsContact O-N 3.11Å; A951-K953 PolarHBondContact O-N 3.01Å
954	T	50.3	Low	55	Low	104 Å²	104	130.5 Å²	130.5	64%	0.638	67%	0.67	S	S	*	*			trans	-129.8	38.1	-169.7	51.2	0	0	0	0	115.1	L950 A951 K956	L950-T954 PolarHBondContact O-N 3.4Å; L950-T954 VanDerWaalsContact O-N 3.1Å; L950-T954 PolarHBondContact O-OG1 2.75Å; A951-T954 WeakPolarHBondContact CA-OG1 2.95Å; A951-T954 PolarHBondContact O-N 3.49Å; T954-K956 PolarHBondContact O-N 3.39Å
955	K	42.6	Very low	52.4	Low	186 Å²	186	135.1 Å²	135.1	81%	0.809	69%	0.69	S	S	*	*			trans	-69.1	83.1	173.7	-75.9	-172.9	174.5	179.5	0	114
956	K	43.9	Very low	50.3	Low	201 Å²	201	132.5 Å²	132.5	87%	0.874	69%	0.688	S	S	*	*			trans	-139.3	109.3	155.7	-80.2	-170	177.8	177	0	110.8	T954	T954-K956 PolarHBondContact O-N 3.39Å
957	P	36.5	Very low	48.3	Very low	123 Å²	123	136 Å²	136	80%	0.799	70%	0.704	S	S	*	*			trans	-101.1	143.8	-171.3	36	-33.3	0	0	0	114.6
958	R	36.2	Very low	46.4	Very low	229 Å²	229	138.7 Å²	138.7	86%	0.864	72%	0.72	S	S	*	*			trans	-167.5	115.9	150	-110	161.8	-168.7	-161.8	2.3	115.1
959	R	39.4	Very low	44.3	Very low	241 Å²	241	136.6 Å²	136.6	91%	0.909	73%	0.728	S	S	*	*			trans	53.8	123.8	141.1	-62.6	-178	175.5	177.5	-3.2	122.2
960	R	34.7	Very low	42.6	Very low	243 Å²	243	143.9 Å²	143.9	92%	0.917	75%	0.753	S	S	*	*			trans	-64.2	173.8	153	-78.8	-178.5	177.6	179.4	-0.8	111.4
961	P	37.6	Very low	41.1	Very low	110 Å²	110	143.8 Å²	143.8	71%	0.714	76%	0.76	S	S	*	*			cis	-153.6	175.7	32.3	43.5	-21.2	0	0	0	121.7
962	S	31.8	Very low	39.8	Very low	117 Å²	117	150.4 Å²	150.4	82%	0.818	78%	0.779	S	S	*	*			trans	61.6	132.7	141.1	60.5	0	0	0	0	123.9
963	G	33.3	Very low	38.7	Very low	71 Å²	71	148.3 Å²	148.3	73%	0.732	78%	0.782	S	S	*	*			trans	108.3	143.7	163.7	0	0	0	0	0	113.3
964	S	33.2	Very low	37.7	Very low	104 Å²	104	150 Å²	150	73%	0.727	78%	0.784	S	S	*	*			cis	154.3	148.2	-20.7	47.8	0	0	0	0	106.6
965	F	32.2	Very low	37.2	Very low	202 Å²	202	151.1 Å²	151.1	89%	0.886	78%	0.781	S	S	*	*			trans	68.9	151.3	-177.8	-76.5	-113.2	0	0	0	115.2
966	S	37.6	Very low	36.8	Very low	93 Å²	93	151.4 Å²	151.4	65%	0.65	78%	0.778	S	S	*	*			cis	-173.3	156.4	-19.4	53.7	0	0	0	0	114.6
967	D	39.5	Very low	36.4	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	77%	0.765	S	S	*	*			trans	85.1	143	137	-132.4	-16.8	0	0	0	125.2
968	S	38.6	Very low	36.4	Very low	111 Å²	111	146.3 Å²	146.3	78%	0.776	75%	0.753	S	S	*	*			trans	91.9	138.1	138.8	81	0	0	0	0	123.3
969	G	36	Very low	36.3	Very low	66 Å²	66	145.8 Å²	145.8	68%	0.68	75%	0.75	S	S	*	*			trans	125.9	78	167.8	0	0	0	0	0	115.3
970	K	38.1	Very low	36	Very low	207 Å²	207	142 Å²	142	90%	0.9	75%	0.748	S	S	*	*				63	135.7	88.9	-66.5	175.8	179.5	170.9	0	115.5
971	S	38.4	Very low	35.7	Very low	92 Å²	92	141.2 Å²	141.2	64%	0.643	75%	0.745	S	S	*	*			cis	-174	168.9	-10.8	62.6	0	0	0	0	112.2
972	K	38.1	Very low	35.5	Very low	194 Å²	194	147.7 Å²	147.7	84%	0.843	76%	0.755	S	S	*	*			trans	77.2	143.5	163.5	-63.9	172.9	-177.1	178.9	0	117.5
973	S	37.4	Very low	35.5	Very low	97 Å²	97	146.3 Å²	146.3	68%	0.678	75%	0.745	S	S	*	*			cis	-166.4	136.1	-11.4	45.9	0	0	0	0	114.5
974	R	37.1	Very low	35.4	Very low	210 Å²	210	153.9 Å²	153.9	79%	0.792	75%	0.752	S	S	*	*			trans	55.3	142.7	137.4	-64	-161.9	142.6	146.8	-3.5	120.9
975	E	38.8	Very low	35.5	Very low	127 Å²	127	155.7 Å²	155.7	59%	0.593	76%	0.759	S	S	*	*			cis	-161.5	-142.3	-16.9	-116.7	156.2	-150.9	0	0	104.9
976	W	34.6	Very low	35.7	Very low	192 Å²	192	151.2 Å²	151.2	73%	0.727	75%	0.752	S	S	*	*			cis	-153.2	97.9	-1.5	-158.3	90.1	0	0	0	111.6
977	F	35.1	Very low	35.5	Very low	141 Å²	141	151.3 Å²	151.3	62%	0.618	76%	0.759	S	S	*	*			trans	62	160.5	156.1	-67.6	-113	0	0	0	121.8
978	S	36.3	Very low	35.7	Very low	76 Å²	76	150.4 Å²	150.4	53%	0.531	76%	0.761	S	S	.	*			cis	-172.3	157.4	-40	74.7	0	0	0	0	112.5
979	R	33.7	Very low	35.4	Very low	217 Å²	217	148.7 Å²	148.7	82%	0.819	76%	0.76	S	S	*	*			trans	69.9	152.3	151	-68.8	164.5	-166.1	-167.5	3.6	116.8
980	L	33.8	Very low	35.7	Very low	162 Å²	162	151.4 Å²	151.4	85%	0.848	77%	0.766	S	S	*	*			cis	-144.3	166.4	3.8	-124.8	158.6	0	0	0	110.8
981	R	29.4	Very low	35.7	Very low	226 Å²	226	146.5 Å²	146.5	85%	0.853	76%	0.755	S	S	*	*			trans	-144.1	163.6	-179	-151.2	-178.5	-166	-176.9	6.1	109.4
982	R	33.6	Very low	35.6	Very low	247 Å²	247	151.2 Å²	151.2	93%	0.932	77%	0.767	S	S	*	*			trans	85.9	149.8	-172.8	-49.3	166	178.1	-176.5	-1.2	112
983	S	31	Very low	35.5	Very low	88 Å²	88	147 Å²	147	62%	0.615	76%	0.763	S	S	*	*			cis	-156.1	161.5	13.2	75.3	0	0	0	0	114.2
984	R	31.7	Very low	35.3	Very low	230 Å²	230	149.4 Å²	149.4	87%	0.868	77%	0.773	S	S	*	*			trans	69.7	154	158.8	-62	167.4	177.9	171.3	-1.6	115.3
985	T	35.3	Very low	35.2	Very low	142 Å²	142	142.8 Å²	142.8	87%	0.871	77%	0.77	S	S	*	*			cis	-147	177.6	0.9	-12.1	0	0	0	0	110.5
986	S	35.6	Very low	34.8	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	78%	0.784	S	S	*	*			trans	-140.4	132.5	-168.2	56	0	0	0	0	116.7
987	A	34.6	Very low	34.7	Very low	96 Å²	96	143.7 Å²	143.7	79%	0.793	79%	0.785	S	S	*	*			trans	69.5	179.1	151.3	0	0	0	0	0	118
988	P	42.8	Very low	34.6	Very low	131 Å²	131	145.4 Å²	145.4	85%	0.851	79%	0.793	S	S	*	*				-138	176.7	-86	41.9	-25.2	0	0	0	116.1
989	G	32.7	Very low	34.3	Very low	74 Å²	74	148.8 Å²	148.8	76%	0.763	80%	0.804	S	S	*	*			trans	173.8	126.9	165.4	0	0	0	0	0	116.3
990	P	41.2	Very low	34.1	Very low	124 Å²	124	144.6 Å²	144.6	81%	0.805	80%	0.797	S	S	*	*			trans	-106.2	178.2	175.5	41.5	-34.6	0	0	0	113
991	P	39.4	Very low	34.1	Very low	103 Å²	103	144.7 Å²	144.7	67%	0.669	79%	0.793	S	S	*	*				-153.6	155.5	101.2	39.3	-22.5	0	0	0	117.5
992	Q	36.3	Very low	34.3	Very low	191 Å²	191	144.5 Å²	144.5	89%	0.893	82%	0.817	S	S	*	*			trans	57.7	147.2	143.4	-63.3	164.1	7	0	0	119.5
993	S	35	Very low	34.3	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	81%	0.812	S	S	*	*			cis	-147.6	164.8	26	56	0	0	0	0	115.4
994	V	33.4	Very low	34.5	Very low	147 Å²	147	142.1 Å²	142.1	89%	0.891	82%	0.822	S	S	*	*			trans	5.2	132.7	154.6	-169.5	0	0	0	0	118.7
995	G	34.4	Very low	34.6	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	82%	0.819	S	S	*	*			cis	-174.7	175.6	6.5	0	0	0	0	0	117.4
996	Q	30.1	Very low	34.6	Very low	188 Å²	188	136.9 Å²	136.9	88%	0.879	82%	0.816	S	S	*	*			trans	-88.2	162	176.3	-53.7	163.4	-67	0	0	110.3
997	I	34	Very low	34.6	Very low	149 Å²	149	138.8 Å²	138.8	76%	0.764	82%	0.821	S	S	*	*				-176.2	128.6	110.9	-97.2	163.8	0	0	0	111.6
998	K	33.5	Very low	34.6	Very low	178 Å²	178	141.6 Å²	141.6	77%	0.774	82%	0.822	S	S	*	*			trans	48.7	130.7	157.4	-62.2	175	-175.8	-178.8	0	120
999	L	28.8	Very low	34	Very low	147 Å²	147	142.4 Å²	142.4	77%	0.77	82%	0.82	S	S	*	*			cis	82.7	122.6	41.2	-82.9	89	0	0	0	115.9
1000	L	30	Very low	34.1	Very low	129 Å²	129	147.6 Å²	147.6	68%	0.675	83%	0.825	S	S	*	*			trans	87.3	130.4	140.9	-67.6	166.8	0	0	0	121.7
1001	E	33.7	Very low	33.5	Very low	164 Å²	164	149.6 Å²	149.6	77%	0.766	83%	0.826	S	S	*	*			trans	72.9	86.1	134.7	-68.7	163.1	166.4	0	0	119.3
1002	T	33.2	Very low	32.9	Very low	221 Å²	221	153.8 Å²	153.8	100%	1.356	84%	0.841	S	S	*	*				-140.6	0	105.7	-5.8	0	0	0	0	110.5

Retrieved 1,002 of 1,002 residues in 684.8 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).