A0A077Z1B7_TRITR Loading...

DNA replication licensing factor MCM2

AlphaFold DB , UniProt , Accession A0A077Z1B7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 904 aa.

						>A0A077Z1B7_TRITR|A0A077Z1B7
MPSQESPISSPTPRRRRRVVVADDDDNNDTTSSMETAIENVPTEATNGRDPTDEQAAEERGFDPEIERELFNDLRDDEDEEEGEDLFAEGFELEYTHVQPLDYFEGSMLDDESEFSEMSIGARRAAESEMNQRDRMEAAAGQGRIASDLLYGRTIEIDLLHFFRNRRNLDPSSLTLANERIAMLFQGFLQSYRDEKGVNVYLEKIRQMCQANRESLVVSFKHLATERGELELAYILPEYPDEVLPVLNKVAMDLVIKMYPKYQRIAPSVHVRIAELPLEETIRGLRQSNLNNLVRISGVVTTTTGIIPQLSVIKYDCLKCGFVLGPFVQTAHQEVKPGFCPECQSGGPFEVNTEETIYQNYQCVTVQESPNKVAAGRIPRSKDCILLADLCDTCKPGDEIELSGIYTHNYDGSLNAKHGFPVFATVIIANYISKREDKVAVSSLTDDDVDEIMRLSTDPNITDRIFASIAPSIYGHEEIKRALALALVSGESKNPGKKHKIRGDINVLICGDPGTAKSQFLRYVASTAPRGVLTTGQGASAVGLTAHVLRHPVTQEWTLEAGALVLADKGVCLIDEFDKMNDHDRTSIHEAMEQQTITISKAGIVSSLQARCSVIAAANPISGRYDASRTFSENVDLGEAILSRFDVFCVVRDNADAVEDERLAKFVVQSHIKHHPDLRENELVQSPGSPSTEADGSTFTPSQERGKIELIPQELLKKYITYARENIHPSLGQVDQDKIAKLYADMRRESDATSSVSITVRHVESIIRLCEAHAKLRLRNYVSADDVSMAMRVTLESFIQTQKYSVMRQMRRVFSKYMSFTQDNNHLLLYLLKQCVNEQIRIKTNVLRSDDVLGMKCIEVHELDLLEKAKQLKIENLSAFYLSDLFTSNRFKYDKAKKIITQFL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	37.9	Very low	240 Å²	240	139.2 Å²	139.2	100%	1.182	81%	0.806	S	S	*	*				0	122.9	0	-74.4	-84.8	179.7	0	0	107.2
2	P	42.7	Very low	37.8	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	81%	0.811	S	S	*	*				-105.7	170.1	-66.7	35.2	-27.6	0	0	0	113.6
3	S	38.6	Very low	38.3	Very low	96 Å²	96	138.3 Å²	138.3	67%	0.671	81%	0.811	S	S	*	*			trans	58.1	112.7	144.8	52.9	0	0	0	0	119.9
4	Q	34.5	Very low	38	Very low	187 Å²	187	144 Å²	144	87%	0.874	81%	0.812	S	S	*	*				61.2	109.6	70.3	-68.2	-175.8	-13.6	0	0	112.9
5	E	38.9	Very low	37.7	Very low	199 Å²	199	146.5 Å²	146.5	93%	0.93	80%	0.804	S	S	*	*				-175.5	115.9	124.7	-99	168.6	-169.3	0	0	110.6
6	S	37.5	Very low	37.4	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	81%	0.814	S	S	*	*			trans	-82.3	-162.2	164.9	49.9	0	0	0	0	109.8
7	P	43.4	Very low	37.2	Very low	105 Å²	105	155.8 Å²	155.8	68%	0.682	81%	0.809	S	S	*	*				-116.3	-167.3	-70.1	31.6	-13.1	0	0	0	109.3
8	I	36.9	Very low	36.9	Very low	152 Å²	152	161.3 Å²	161.3	78%	0.779	82%	0.818	S	S	*	*			trans	161.9	122.3	137.6	-81	153.3	0	0	0	112.3
9	S	34.3	Very low	36.8	Very low	100 Å²	100	159 Å²	159	70%	0.699	81%	0.812	S	S	*	*			trans	60.6	117.9	149	73.3	0	0	0	0	122.4
10	S	30.6	Very low	36.6	Very low	111 Å²	111	157 Å²	157	78%	0.776	81%	0.807	S	S	*	*			trans	-52.3	153.4	147.9	49	0	0	0	0	113.6
11	P	40.7	Very low	36.4	Very low	117 Å²	117	156.6 Å²	156.6	76%	0.76	81%	0.812	S	S	*	*				-136.4	128.6	129.1	33.3	-19.3	0	0	0	111.7
12	T	36	Very low	36.2	Very low	142 Å²	142	148.6 Å²	148.6	87%	0.871	78%	0.784	S	S	*	*			trans	-71.8	140.1	159.4	32.2	0	0	0	0	110
13	P	44.6	Very low	36	Very low	125 Å²	125	150.8 Å²	150.8	81%	0.812	79%	0.79	S	S	*	*			trans	-115.9	130.3	151.1	32.2	-20.3	0	0	0	111.2
14	R	34.1	Very low	35.8	Very low	218 Å²	218	153.1 Å²	153.1	82%	0.823	79%	0.794	S	S	*	*			trans	-60.9	154.1	173.6	-81.5	171.6	157.4	-178.7	-4.5	113.8
15	R	32.9	Very low	36.1	Very low	182 Å²	182	151 Å²	151	69%	0.687	79%	0.789	S	S	*	*			trans	71.8	115	140.7	-78.8	173.9	170.7	-168.3	-1.9	118.9
16	R	33.2	Very low	36.1	Very low	255 Å²	255	147.9 Å²	147.9	96%	0.962	78%	0.779	S	S	*	*				-134.5	115.4	119	-88.4	-171.3	172.6	-179	-2.7	111
17	R	33.9	Very low	36	Very low	196 Å²	196	149.2 Å²	149.2	74%	0.74	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-67.2	142.3	164.7	-81.7	172.3	159.8	173.1	-9.1	109.2	V19	R17-V19 HydrophobicContact CB-CG2 4.35Å
18	R	32.2	Very low	35.6	Very low	255 Å²	255	150.9 Å²	150.9	96%	0.962	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-98.5	136.1	144.3	-127.7	176.6	-176.8	172.4	-0.4	107.3
19	V	34.7	Very low	35.4	Very low	117 Å²	117	150 Å²	150	71%	0.709	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-99.9	132.3	-162	169.4	0	0	0	0	110.2	R17	R17-V19 HydrophobicContact CB-CG2 4.35Å
20	V	33.1	Very low	35.5	Very low	118 Å²	118	151.1 Å²	151.1	72%	0.715	78%	0.78	S	S	*	*			trans	-10.6	134.3	145.6	-177.5	0	0	0	0	116.2
21	V	33.5	Very low	35.6	Very low	149 Å²	149	152 Å²	152	90%	0.903	78%	0.781	S	S	*	*			trans	-134.9	113.1	140	-176.4	0	0	0	0	107.9
22	A	34.1	Very low	35.1	Very low	73 Å²	73	151.7 Å²	151.7	60%	0.603	78%	0.782	S	S	*	*			trans	-133	124.6	156.6	0	0	0	0	0	103.7
23	D	37.9	Very low	34.7	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	77%	0.774	S	S	*	*			trans	-166.8	138.3	157.9	-84.3	-33.1	0	0	0	107.6
24	D	35.8	Very low	34.2	Very low	144 Å²	144	152 Å²	152	77%	0.77	78%	0.775	S	S	*	*			trans	-66.4	160.3	-172.4	-57.3	-64.4	0	0	0	114.3
25	D	39.5	Very low	34.1	Very low	144 Å²	144	149 Å²	149	77%	0.77	77%	0.771	S	S	*	*				165.7	115.8	129.1	-81.3	-20.6	0	0	0	112.5
26	D	39.2	Very low	33.8	Very low	132 Å²	132	146.5 Å²	146.5	71%	0.706	78%	0.776	S	S	*	*			trans	59.7	113.2	132.7	-67.7	-30	0	0	0	123.5
27	N	36	Very low	33.9	Very low	139 Å²	139	138.3 Å²	138.3	74%	0.743	76%	0.763	S	S	*	*				52.6	104.5	122.2	-64	-43.4	0	0	0	120
28	N	34.4	Very low	33.7	Very low	140 Å²	140	135.9 Å²	135.9	75%	0.749	76%	0.763	S	S	*	*				-177.2	111.1	119.3	-108.5	0.7	0	0	0	109.4
29	D	33.2	Very low	33.7	Very low	134 Å²	134	132.3 Å²	132.3	72%	0.717	76%	0.757	S	S	*	*				73	95.8	100.7	-80.6	-9.3	0	0	0	113.7
30	T	35.3	Very low	33.5	Very low	123 Å²	123	133.4 Å²	133.4	76%	0.755	76%	0.759	S	S	*	*				165.3	112.4	104.7	35	0	0	0	0	111.8
31	T	32.3	Very low	33.6	Very low	128 Å²	128	134.5 Å²	134.5	79%	0.785	77%	0.766	S	S	*	*				39.8	127.2	125.6	65.2	0	0	0	0	117.8
32	S	31.2	Very low	33.7	Very low	111 Å²	111	132.4 Å²	132.4	78%	0.776	76%	0.755	S	S	*	*			cis	-169.4	131.1	47.1	50.4	0	0	0	0	111.7
33	S	27.6	Very low	33.4	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	77%	0.768	S	S	*	*			trans	-48.8	143.2	150.1	43.2	0	0	0	0	113.7
34	M	33.5	Very low	33.2	Very low	172 Å²	172	137 Å²	137	85%	0.847	77%	0.769	S	S	*	*			trans	-162.1	100.9	143.9	-109.3	167.9	139.6	0	0	106.2
35	E	32.1	Very low	33	Very low	156 Å²	156	134.8 Å²	134.8	73%	0.729	77%	0.771	S	S	*	*				70.6	107.8	79.2	-72.6	-177.3	159.1	0	0	112.8
36	T	28.1	Very low	32.8	Very low	130 Å²	130	134.3 Å²	134.3	80%	0.798	77%	0.773	S	S	*	*			trans	29.2	115.1	130.4	51.7	0	0	0	0	119.2
37	A	33.3	Very low	32.3	Very low	82 Å²	82	136.2 Å²	136.2	68%	0.678	78%	0.783	S	S	*	*			trans	-161.4	116.2	139.5	0	0	0	0	0	105	E39	A37-E39 HydrophobicContact CB-CG 4.44Å
38	I	30.3	Very low	32.2	Very low	145 Å²	145	133.3 Å²	133.3	74%	0.744	79%	0.786	S	S	*	*				33.9	76.3	51.5	-46.3	-179.7	0	0	0	111
39	E	33	Very low	32	Very low	180 Å²	180	138 Å²	138	84%	0.841	79%	0.793	S	S	*	*			trans	-111.8	109.6	153.3	-80.1	-167.9	158.7	0	0	109.7	A37	A37-E39 HydrophobicContact CB-CG 4.44Å
40	N	29.3	Very low	32.1	Very low	141 Å²	141	139 Å²	139	75%	0.754	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-57.7	129.1	166.5	-59.2	-54.7	0	0	0	109.9
41	V	37	Very low	32.1	Very low	140 Å²	140	138.4 Å²	138.4	85%	0.848	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-98.7	125.1	153.1	-180	0	0	0	0	106.9
42	P	35.2	Very low	32.3	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-78.4	144.2	-162	30.8	-34.5	0	0	0	112.8	E44	P42-E44 PolarHBondContact O-N 3.14Å
43	T	28.3	Very low	32.5	Very low	142 Å²	142	140 Å²	140	87%	0.871	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.3	118.5	156.2	47.1	0	0	0	0	110.4
44	E	32.5	Very low	32.9	Very low	189 Å²	189	143 Å²	143	88%	0.883	80%	0.8	S	S	*	*			trans	-124.7	113.6	152.9	-79.4	-166.7	162.4	0	0	109.6	P42	P42-E44 PolarHBondContact O-N 3.14Å
45	A	31.2	Very low	32.8	Very low	97 Å²	97	143.3 Å²	143.3	80%	0.802	80%	0.799	S	S	*	*			trans	-81.9	127.2	172.3	0	0	0	0	0	109.7
46	T	35.1	Very low	32.7	Very low	134 Å²	134	140.5 Å²	140.5	82%	0.822	80%	0.803	S	S	*	*			trans	-150	103.5	146.3	51.8	0	0	0	0	111
47	N	29.6	Very low	33	Very low	171 Å²	171	138.9 Å²	138.9	91%	0.914	80%	0.803	S	S	*	*			trans	23.6	113.6	137	-65.7	-28.5	0	0	0	119
48	G	33.7	Very low	33	Very low	79 Å²	79	142.4 Å²	142.4	81%	0.814	81%	0.805	S	S	*	*			trans	-169.1	98	159.8	0	0	0	0	0	110.7
49	R	31.1	Very low	33.1	Very low	237 Å²	237	144.9 Å²	144.9	89%	0.894	81%	0.813	S	S	*	*			trans	-58.9	136.6	176.2	-69.4	166.3	169.1	155	-4.6	111
50	D	33.9	Very low	33.2	Very low	156 Å²	156	145.4 Å²	145.4	83%	0.834	81%	0.808	S	S	*	*				-177.6	139.7	112.7	-84.4	-23.7	0	0	0	111.1
51	P	35.7	Very low	33.4	Very low	111 Å²	111	142.2 Å²	142.2	72%	0.721	81%	0.808	S	S	*	*			trans	-100.3	145.4	-176	36.9	-28.8	0	0	0	112.3
52	T	36.5	Very low	33.2	Very low	129 Å²	129	145.3 Å²	145.3	79%	0.791	81%	0.81	S	S	*	*			trans	176.9	130.9	137.1	37.8	0	0	0	0	111.6
53	D	35.3	Very low	33.2	Very low	143 Å²	143	147.1 Å²	147.1	77%	0.765	82%	0.815	S	S	*	*			trans	88.9	82.3	149.9	-53.9	-11.7	0	0	0	121.1
54	E	35.8	Very low	33.5	Very low	163 Å²	163	146.4 Å²	146.4	76%	0.762	81%	0.812	S	S	*	*				57.2	104.8	122.1	-68.9	-173.2	149.5	0	0	122.7
55	Q	32.6	Very low	33.9	Very low	180 Å²	180	146 Å²	146	84%	0.841	81%	0.81	S	S	*	*				82	92.5	128.2	-62.7	179.1	15.5	0	0	119.6
56	A	29.6	Very low	34.4	Very low	97 Å²	97	149 Å²	149	80%	0.802	81%	0.812	S	S	*	*			trans	-124.4	142.8	149.3	0	0	0	0	0	109.8
57	A	34.5	Very low	34.4	Very low	96 Å²	96	152 Å²	152	79%	0.793	82%	0.816	S	S	*	*			trans	57.5	118.1	152.5	0	0	0	0	0	120.6
58	E	32.5	Very low	34.7	Very low	155 Å²	155	155.4 Å²	155.4	72%	0.724	82%	0.816	S	S	*	*			trans	-133	93.8	140.4	-80	-162.9	139.1	0	0	109	R60	E58-R60 VanDerWaalsContact CD-NH2 3.33Å; E58-R60 IonicContact OE1-CZ 3.87Å; E58-R60 IonicContact OE1-NE 3.84Å; E58-R60 IonicContact OE1-NH2 3.7Å; E58-R60 PolarHBondContact OE1-NH2 2.74Å; E58-R60 IonicContact OE2-CZ 3.08Å; E58-R60 IonicContact OE2-NH2 2.65Å; E58-R60 PolarHBondContact OE2-NH2 3.06Å
59	E	33.2	Very low	34.8	Very low	197 Å²	197	160.3 Å²	160.3	92%	0.921	82%	0.818	S	S	*	*			trans	-78.9	120.1	149.3	-75	-179.8	160.4	0	0	107.1
60	R	33.6	Very low	35.3	Very low	192 Å²	192	156.7 Å²	156.7	73%	0.725	82%	0.815	S	S	*	*			trans	-119.8	124.1	161.5	-76.2	-170.7	-151.8	153.8	10.9	108.5	E58	E58-R60 VanDerWaalsContact CD-NH2 3.33Å; E58-R60 IonicContact OE1-CZ 3.87Å; E58-R60 IonicContact OE1-NE 3.84Å; E58-R60 IonicContact OE1-NH2 3.7Å; E58-R60 PolarHBondContact OE1-NH2 2.74Å; E58-R60 IonicContact OE2-CZ 3.08Å; E58-R60 IonicContact OE2-NH2 2.65Å; E58-R60 PolarHBondContact OE2-NH2 3.06Å
61	G	33.5	Very low	35.3	Very low	74 Å²	74	159.1 Å²	159.1	76%	0.763	82%	0.819	S	S	*	*			trans	-63.5	153.9	176.1	0	0	0	0	0	112.9
62	F	32.8	Very low	35.2	Very low	204 Å²	204	161.3 Å²	161.3	90%	0.895	83%	0.825	S	S	*	*			trans	-135.6	128.4	164	-108.2	-92	0	0	0	108.4
63	D	36	Very low	35.3	Very low	144 Å²	144	162.9 Å²	162.9	77%	0.77	83%	0.828	S	S	*	*			trans	-61.9	142.6	-168.4	-62.7	-57	0	0	0	114.1	E65	D63-E65 PolarHBondContact O-N 3.46Å
64	P	35.3	Very low	35.4	Very low	127 Å²	127	164.7 Å²	164.7	83%	0.825	84%	0.837	S	S	*	*	S	Bend	trans	-93.3	75.6	178.8	37	-29.9	0	0	0	110.2
65	E	40	Very low	35.4	Very low	180 Å²	180	167.9 Å²	167.9	84%	0.841	84%	0.842	S	S	*	*			trans	-149.7	5.4	176.9	-115.4	166.9	-153.9	0	0	116.8	D63	D63-E65 PolarHBondContact O-N 3.46Å
66	I	41.5	Very low	35.4	Very low	161 Å²	161	166.4 Å²	166.4	83%	0.826	84%	0.839	S	S	*	*	S	Bend	trans	-113.1	-11.5	-171.4	-62.6	179.4	0	0	0	115.6	R68	I66-R68 PolarHBondContact O-N 3.23Å
67	E	35	Very low	35.7	Very low	195 Å²	195	169.9 Å²	169.9	91%	0.911	85%	0.845	S	S	*	*	S	Bend	trans	-92.6	20	179.6	-77	-172.2	159.6	0	0	115.4
68	R	35.8	Very low	35.7	Very low	243 Å²	243	173.8 Å²	173.8	92%	0.917	85%	0.846	S	S	*	*	S	Bend	trans	-90.6	10.2	-178.8	-121.9	177.1	-172.5	168.5	2.8	116	I66	I66-R68 PolarHBondContact O-N 3.23Å
69	E	36.5	Very low	35.9	Very low	183 Å²	183	174 Å²	174	86%	0.855	85%	0.853	S	S	*	*	S	Bend	trans	-135	14	-173.7	-68.2	-169.4	162.5	0	0	116.3
70	L	41.1	Very low	36.1	Very low	161 Å²	161	173.1 Å²	173.1	84%	0.843	85%	0.849	S	S	*	*	S	Bend	trans	-125.4	9.3	179.8	-120.9	91.7	0	0	0	117
71	F	34.3	Very low	36.3	Very low	207 Å²	207	173.8 Å²	173.8	91%	0.908	86%	0.86	S	S	*	*			trans	-127.1	72.8	174.3	-91.5	-89.5	0	0	0	110
72	N	33.3	Very low	36.6	Very low	157 Å²	157	179.2 Å²	179.2	84%	0.84	87%	0.866	S	S	*	*			trans	-157.7	77.1	169.3	-123.9	6.8	0	0	0	108.2
73	D	39.6	Very low	37.2	Very low	162 Å²	162	172.9 Å²	172.9	87%	0.866	86%	0.857	S	S	*	*			trans	-169.2	137.7	155.9	-88.5	-28	0	0	0	107.3
74	L	37.2	Very low	37.4	Very low	180 Å²	180	174.1 Å²	174.1	94%	0.942	86%	0.858	S	S	*	*			trans	93.5	69	-170.1	-50.8	170.7	0	0	0	114.7
75	R	34.8	Very low	38.2	Very low	231 Å²	231	174.8 Å²	174.8	87%	0.872	86%	0.855	S	S	*	*			trans	-95.2	155.4	143.4	-90.4	-179.3	173.8	177.4	-3.2	108.3
76	D	33.3	Very low	39	Very low	148 Å²	148	171.7 Å²	171.7	79%	0.791	84%	0.844	S	S	*	*			trans	100.1	84.8	171.1	-52.2	-14.8	0	0	0	113.6
77	D	36.3	Very low	39.6	Very low	171 Å²	171	173.3 Å²	173.3	91%	0.914	85%	0.845	S	S	*	*			trans	-145	119.2	139.1	-80.9	-41.1	0	0	0	107
78	E	33.5	Very low	40.8	Very low	177 Å²	177	166.8 Å²	166.8	83%	0.827	83%	0.825	S	S	*	*			trans	-76.9	167.4	173.4	-64.5	172.6	150.3	0	0	109.1
79	D	37.4	Very low	42	Very low	160 Å²	160	165.5 Å²	165.5	86%	0.856	83%	0.829	S	S	*	*			trans	88.8	117.9	-176	-41.4	-33.2	0	0	0	111.9
80	E	36.5	Very low	43.2	Very low	179 Å²	179	158.5 Å²	158.5	84%	0.836	81%	0.806	S	S	*	*			cis	-150.4	118.5	31.1	-67.8	168.7	158.8	0	0	109.3	E82	E80-E82 PolarHBondContact O-N 3.25Å
81	E	37.7	Very low	43.9	Very low	205 Å²	205	156 Å²	156	96%	0.958	79%	0.789	S	S	*	*			trans	-87.2	82.7	161.9	-76.4	-179	160.6	0	0	108.3
82	E	41.4	Very low	44.9	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.883	78%	0.783	S	S	*	*			trans	-130.8	70.1	167.3	-72.7	-168.9	176.3	0	0	109.9	E80	E80-E82 PolarHBondContact O-N 3.25Å
83	G	44.8	Very low	46.2	Very low	70 Å²	70	153.5 Å²	153.5	72%	0.722	78%	0.779	S	S	*	*			trans	-108.2	115.5	161.6	0	0	0	0	0	108.9	D85	G83-D85 PolarHBondContact O-N 2.79Å
84	E	39.8	Very low	46.9	Very low	170 Å²	170	153.7 Å²	153.7	79%	0.794	77%	0.774	S	S	*	*			trans	-58.7	107.5	174.6	-73.3	-179.7	165	0	0	110.4	L86	E84-L86 PolarHBondContact O-N 3.03Å; E84-L86 VanDerWaalsContact O-N 3.09Å
85	D	51.9	Low	47.7	Very low	142 Å²	142	153.7 Å²	153.7	76%	0.759	76%	0.763	S	S	*	*			trans	-83.8	85.6	-177.2	-140.3	4.1	0	0	0	109.6	G83 F87	G83-D85 PolarHBondContact O-N 2.79Å; D85-F87 PolarHBondContact O-N 2.8Å
86	L	56.9	Low	48.5	Very low	114 Å²	114	147.6 Å²	147.6	60%	0.597	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	7.5	-170	-70.4	167.1	0	0	0	116.9	E84	E84-L86 PolarHBondContact O-N 3.03Å; E84-L86 VanDerWaalsContact O-N 3.09Å
87	F	55.3	Low	49.1	Very low	195 Å²	195	147.7 Å²	147.7	86%	0.855	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	4.8	-170.1	-64.1	-78.4	0	0	0	116	D85	D85-F87 PolarHBondContact O-N 2.8Å
88	A	60.5	Low	49.8	Very low	58 Å²	58	143.3 Å²	143.3	48%	0.479	73%	0.726	S	S	.	*	S	Bend	trans	-82.5	149	177.9	0	0	0	0	0	112.9	G90 F91	A88-G90 PolarHBondContact O-N 3.03Å; A88-F91 PolarHBondContact O-N 3.25Å; A88-F91 VanDerWaalsContact O-N 3.13Å
89	E	59.6	Low	50.6	Low	216 Å²	216	141.7 Å²	141.7	100%	1.009	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	5.7	-178.2	-69.2	-177.5	156.5	0	0	115.3
90	G	61.7	Low	51.3	Low	37 Å²	37	139 Å²	139	38%	0.381	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.4	0.7	175.6	0	0	0	0	0	115.6	A88 E92 L93	A88-G90 PolarHBondContact O-N 3.03Å; G90-E92 PolarHBondContact O-N 2.85Å; G90-L93 WeakPolarHBondContact O-CB 3.41Å; G90-L93 PolarHBondContact O-N 2.93Å
91	F	57.1	Low	52.1	Low	107 Å²	107	137.4 Å²	137.4	47%	0.469	71%	0.707	S	S	.	*	H	α-helix	trans	-48.5	-34.1	-178.1	159.7	-97.3	0	0	0	114.7	A88 L93 Y95	A88-F91 PolarHBondContact O-N 3.25Å; A88-F91 VanDerWaalsContact O-N 3.13Å; F91-L93 VanDerWaalsContact C-N 3.27Å; F91-L93 PolarHBondContact O-N 3.46Å; F91-Y95 HydrophobicContact CD2-CD2 4.48Å; F91-Y95 HydrophobicContact CD2-CE2 4.27Å; F91-Y95 AromaticContact CE2-CD2 3.93Å; F91-Y95 HydrophobicContact CE2-CD2 3.93Å; F91-Y95 AromaticContact CE2-CE2 3.45Å; F91-Y95 HydrophobicContact CE2-CE2 3.45Å; F91-Y95 VanDerWaalsContact CE2-CE2 3.45Å; F91-Y95 HydrophobicContact CZ-CD2 4.01Å; F91-Y95 AromaticContact CZ-CE2 3.72Å; F91-Y95 HydrophobicContact CZ-CE2 3.72Å
92	E	54.3	Low	52.6	Low	168 Å²	168	134.2 Å²	134.2	79%	0.785	70%	0.696	S	S	*	*	H	α-helix	trans	-72.7	-15.5	-179.3	-68.8	-176.4	165	0	0	113.9	G90	G90-E92 PolarHBondContact O-N 2.85Å
93	L	59.6	Low	53.1	Low	144 Å²	144	134.4 Å²	134.4	75%	0.754	69%	0.69	S	S	*	*	H	α-helix	trans	-87.1	-19.1	-178.2	-77	158.8	0	0	0	113.7	G90 F91	G90-L93 WeakPolarHBondContact O-CB 3.41Å; G90-L93 PolarHBondContact O-N 2.93Å; F91-L93 VanDerWaalsContact C-N 3.27Å; F91-L93 PolarHBondContact O-N 3.46Å
94	E	54.3	Low	53.3	Low	166 Å²	166	140 Å²	140	78%	0.776	70%	0.695	S	S	*	*	H	α-helix	trans	-85.9	-19.5	174.5	-77.4	175.5	172.2	0	0	112.7	T96	E94-T96 PolarHBondContact O-N 3.19Å
95	Y	54.8	Low	53.4	Low	180 Å²	180	139.3 Å²	139.3	71%	0.706	69%	0.692	S	S	*	*			trans	-80.6	59.4	166.1	-82	-87.7	0	0	0	111.8	F91 H97	F91-Y95 HydrophobicContact CD2-CD2 4.48Å; F91-Y95 HydrophobicContact CD2-CE2 4.27Å; F91-Y95 AromaticContact CE2-CD2 3.93Å; F91-Y95 HydrophobicContact CE2-CD2 3.93Å; F91-Y95 AromaticContact CE2-CE2 3.45Å; F91-Y95 HydrophobicContact CE2-CE2 3.45Å; F91-Y95 VanDerWaalsContact CE2-CE2 3.45Å; F91-Y95 HydrophobicContact CZ-CD2 4.01Å; F91-Y95 AromaticContact CZ-CE2 3.72Å; F91-Y95 HydrophobicContact CZ-CE2 3.72Å; Y95-H97 PolarHBondContact O-N 3.09Å
96	T	51.3	Low	53.2	Low	103 Å²	103	135 Å²	135	63%	0.632	68%	0.681	S	S	*	*			trans	-72.4	123	163.2	52.7	0	0	0	0	109.8	E94 V98	E94-T96 PolarHBondContact O-N 3.19Å; T96-V98 WeakPolarHBondContact O-CG2 3.47Å; T96-V98 PolarHBondContact O-N 3.42Å
97	H	46.5	Very low	52.7	Low	151 Å²	151	134 Å²	134	70%	0.699	68%	0.683	S	S	*	*			trans	-64	96.3	174.7	-152.8	-60.1	0	0	0	109.2	Y95 Q99	Y95-H97 PolarHBondContact O-N 3.09Å; H97-Q99 VanDerWaalsContact C-N 3.27Å; H97-Q99 PolarHBondContact O-N 3.39Å
98	V	49.9	Very low	52.4	Low	78 Å²	78	133.2 Å²	133.2	47%	0.473	68%	0.684	S	S	.	*			trans	-76.3	82.2	177.1	-170.4	0	0	0	0	108.5	T96 P100 L101	T96-V98 WeakPolarHBondContact O-CG2 3.47Å; T96-V98 PolarHBondContact O-N 3.42Å; V98-P100 HydrophobicContact CG1-CG 4.43Å; V98-P100 VanDerWaalsContact O-N 3.11Å; V98-L101 HydrophobicContact CB-CD1 4.42Å; V98-L101 HydrophobicContact CG1-CD1 3.8Å; V98-L101 HydrophobicContact CG1-CG 4.46Å; V98-L101 PolarHBondContact O-N 2.88Å
99	Q	51.9	Low	51.7	Low	143 Å²	143	135 Å²	135	67%	0.668	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-22.5	178.5	-77.6	-176.8	-19.5	0	0	116.1	H97 Y103	H97-Q99 VanDerWaalsContact C-N 3.27Å; H97-Q99 PolarHBondContact O-N 3.39Å; Q99-Y103 WeakPolarHBondContact O-CD2 3.39Å
100	P	52.4	Low	51.2	Low	104 Å²	104	132 Å²	132	68%	0.675	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-15.1	175.1	-19.7	31.7	0	0	0	116.7	V98	V98-P100 HydrophobicContact CG1-CG 4.43Å; V98-P100 VanDerWaalsContact O-N 3.11Å
101	L	51.6	Low	50.5	Low	146 Å²	146	136.5 Å²	136.5	76%	0.764	69%	0.692	S	S	*	*	S	Bend	trans	-97.3	-2.5	-174.8	-83.1	153.9	0	0	0	114.4	V98	V98-L101 HydrophobicContact CB-CD1 4.42Å; V98-L101 HydrophobicContact CG1-CD1 3.8Å; V98-L101 HydrophobicContact CG1-CG 4.46Å; V98-L101 PolarHBondContact O-N 2.88Å
102	D	48.5	Very low	49.9	Very low	138 Å²	138	140.5 Å²	140.5	74%	0.738	71%	0.712	S	S	*	*	S	Bend	trans	-108.9	11.5	175.1	-92.1	-23.7	0	0	0	113.5
103	Y	51.9	Low	49.3	Very low	193 Å²	193	135.5 Å²	135.5	76%	0.757	70%	0.696	S	S	*	*	S	Bend	trans	-97.7	119.9	161.2	-79.8	-91.3	0	0	0	107.8	Q99 E105	Q99-Y103 WeakPolarHBondContact O-CD2 3.39Å; Y103-E105 PolarHBondContact O-N 2.9Å; Y103-E105 VanDerWaalsContact O-N 3.11Å
104	F	48.6	Very low	48.7	Very low	187 Å²	187	137.8 Å²	137.8	82%	0.82	70%	0.702	S	S	*	*			trans	-52.7	123	156.9	-71.3	-81.9	0	0	0	107.1	G106	F104-G106 VanDerWaalsContact C-N 3.32Å; F104-G106 PolarHBondContact O-N 3.44Å
105	E	42.1	Very low	48.4	Very low	156 Å²	156	138 Å²	138	73%	0.729	70%	0.701	S	S	*	*			trans	-54.9	104.7	162.4	-99.6	-173.4	167	0	0	106.9	Y103 S107 M108	Y103-E105 PolarHBondContact O-N 2.9Å; Y103-E105 VanDerWaalsContact O-N 3.11Å; E105-S107 PolarHBondContact O-N 2.96Å; E105-M108 PolarHBondContact O-N 3.22Å
106	G	49.1	Very low	48.3	Very low	51 Å²	51	134.3 Å²	134.3	53%	0.526	70%	0.701	S	S	.	*	G	3₁₀ helix	trans	-62.5	-3.6	177.7	0	0	0	0	0	113.6	F104 M108 L109	F104-G106 VanDerWaalsContact C-N 3.32Å; F104-G106 PolarHBondContact O-N 3.44Å; G106-M108 VanDerWaalsContact C-N 3.28Å; G106-M108 PolarHBondContact O-N 3.47Å; G106-L109 PolarHBondContact O-N 2.94Å
107	S	45.5	Very low	48.5	Very low	93 Å²	93	138.7 Å²	138.7	65%	0.65	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-78.4	-0.9	177.1	42.5	0	0	0	0	115	E105	E105-S107 PolarHBondContact O-N 2.96Å
108	M	49.3	Very low	49.1	Very low	179 Å²	179	136.4 Å²	136.4	88%	0.882	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-124.2	13.8	167.3	-74.1	-76	-166.4	0	0	112.9	E105 G106	E105-M108 PolarHBondContact O-N 3.22Å; G106-M108 VanDerWaalsContact C-N 3.28Å; G106-M108 PolarHBondContact O-N 3.47Å
109	L	46.7	Very low	50.4	Low	96 Å²	96	136.4 Å²	136.4	50%	0.503	71%	0.709	S	S	.	*			trans	-90.1	110.1	165.4	-79	165	0	0	0	108.1	G106 D111	G106-L109 PolarHBondContact O-N 2.94Å; L109-D111 HydrophobicContact CB-CB 4.45Å; L109-D111 PolarHBondContact O-N 2.86Å
110	D	48.7	Very low	51.4	Low	153 Å²	153	136.3 Å²	136.3	82%	0.818	71%	0.711	S	S	*	*			trans	-77.3	54.1	174.4	-147	12.8	0	0	0	109.9
111	D	46.2	Very low	52.7	Low	131 Å²	131	133.8 Å²	133.8	70%	0.701	70%	0.704	S	S	*	*			trans	-106.5	7	-174.4	-72.5	-11.6	0	0	0	113	L109	L109-D111 HydrophobicContact CB-CB 4.45Å; L109-D111 PolarHBondContact O-N 2.86Å
112	E	45.3	Very low	53.9	Low	190 Å²	190	128.7 Å²	128.7	89%	0.888	68%	0.684	S	S	*	*			trans	-113.3	49.7	168.7	-71.8	-170.6	168.2	0	0	111.7	E114	E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.11Å
113	S	41.6	Very low	55.2	Low	64 Å²	64	129.4 Å²	129.4	45%	0.448	68%	0.676	S	S	.	*			trans	-82.6	88.3	155	49.2	0	0	0	0	108.7	F115	S113-F115 WeakPolarHBondContact O-CD2 3.37Å; S113-F115 PolarHBondContact O-N 2.95Å
114	E	46	Very low	56.4	Low	192 Å²	192	129 Å²	129	90%	0.897	67%	0.673	S	S	*	*			trans	-54.1	94.2	144.3	-80	-171.1	163.9	0	0	106.1	E112 S116	E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.11Å; E114-S116 VanDerWaalsContact C-N 3.27Å; E114-S116 PolarHBondContact O-N 3.36Å
115	F	48.4	Very low	58	Low	170 Å²	170	122.9 Å²	122.9	75%	0.746	66%	0.657	S	S	*	*			trans	-58.7	98.8	168.3	-74.1	-84.6	0	0	0	106.6	S113 E117	S113-F115 WeakPolarHBondContact O-CD2 3.37Å; S113-F115 PolarHBondContact O-N 2.95Å; F115-E117 PolarHBondContact O-N 2.94Å; F115-E117 VanDerWaalsContact O-N 3.14Å
116	S	53.5	Low	59.6	Low	102 Å²	102	117.3 Å²	117.3	71%	0.713	64%	0.638	S	S	*	*			trans	-49.6	124.4	158	61.6	0	0	0	0	106	E114 M118	E114-S116 VanDerWaalsContact C-N 3.27Å; E114-S116 PolarHBondContact O-N 3.36Å; S116-M118 PolarHBondContact O-N 2.84Å
117	E	55.2	Low	61.1	Low	196 Å²	196	119.2 Å²	119.2	92%	0.916	63%	0.633	S	S	*	*			trans	-47.8	103.5	179.5	-72.6	-173.5	156.2	0	0	109.1	F115 S119	F115-E117 PolarHBondContact O-N 2.94Å; F115-E117 VanDerWaalsContact O-N 3.14Å; E117-S119 PolarHBondContact O-N 3.28Å
118	M	58.7	Low	62.7	Low	103 Å²	103	118.1 Å²	118.1	51%	0.507	63%	0.625	S	S	.	*			trans	-56	120.1	175.7	-130.5	-162.2	-48.5	0	0	105.8	S116 I120 A122 R123	S116-M118 PolarHBondContact O-N 2.84Å; M118-I120 PolarHBondContact O-N 2.91Å; M118-A122 HydrophobicContact CG-CB 3.85Å; M118-A122 HydrophobicContact SD-CB 4.11Å; M118-R123 HydrophobicContact SD-CB 4.46Å
119	S	77.6	Confident	64.2	Low	77 Å²	77	114.8 Å²	114.8	54%	0.538	61%	0.607	S	S	.	*			trans	-50.5	146.3	178.4	73.9	0	0	0	0	109.8	E117 G121 A122 R123	E117-S119 PolarHBondContact O-N 3.28Å; S119-G121 CarbonylContact O-C 3.6Å; S119-G121 PolarHBondContact O-N 3.03Å; S119-A122 PolarHBondContact O-N 2.91Å; S119-A122 PolarHBondContact OG-N 3.49Å; S119-R123 PolarHBondContact O-N 3.18Å
120	I	73.4	Confident	65.7	Low	141 Å²	141	115 Å²	115	72%	0.723	61%	0.607	S	S	*	*	H	α-helix	trans	-50.5	-29.4	177.7	-68.7	167.6	0	0	0	111.4	M118 R124	M118-I120 PolarHBondContact O-N 2.91Å; I120-R124 WeakPolarHBondContact O-CB 3.27Å; I120-R124 PolarHBondContact O-N 2.77Å
121	G	79.3	Confident	67.1	Low	51 Å²	51	112.4 Å²	112.4	53%	0.526	59%	0.593	S	S	.	*	H	α-helix	trans	-68.5	-45.5	173.3	0	0	0	0	0	114.2	S119 R124 A125	S119-G121 CarbonylContact O-C 3.6Å; S119-G121 PolarHBondContact O-N 3.03Å; G121-R124 PolarHBondContact O-N 3.14Å; G121-A125 PolarHBondContact O-N 3.09Å; G121-A125 VanDerWaalsContact O-N 3.09Å
122	A	77.3	Confident	68.7	Low	40 Å²	40	111.8 Å²	111.8	33%	0.331	59%	0.586	S	S	.	*	H	α-helix	trans	-68.3	-38.6	178.9	0	0	0	0	0	112.2	M118 S119 A125 A126	M118-A122 HydrophobicContact CG-CB 3.85Å; M118-A122 HydrophobicContact SD-CB 4.11Å; S119-A122 PolarHBondContact O-N 2.91Å; S119-A122 PolarHBondContact OG-N 3.49Å; A122-A125 PolarHBondContact O-N 2.9Å; A122-A126 PolarHBondContact O-N 3.39Å
123	R	74.9	Confident	70.1	Confident	153 Å²	153	109.1 Å²	109.1	58%	0.577	57%	0.568	S	S	*	*	H	α-helix	trans	-64.8	-41.2	175.4	-165	172.9	-176.4	153.4	4.4	112.1	M118 S119 A125 A126 E127	M118-R123 HydrophobicContact SD-CB 4.46Å; S119-R123 PolarHBondContact O-N 3.18Å; R123-A125 VanDerWaalsContact C-N 3.33Å; R123-A125 PolarHBondContact O-N 3.28Å; R123-A126 PolarHBondContact O-N 3.39Å; R123-E127 IonicContact NE-OE1 3.85Å; R123-E127 WeakPolarHBondContact O-CB 3.46Å; R123-E127 WeakPolarHBondContact O-CG 3.22Å; R123-E127 PolarHBondContact O-N 2.9Å
124	R	77.3	Confident	71.7	Confident	183 Å²	183	110.4 Å²	110.4	69%	0.691	57%	0.57	S	S	*	*	H	α-helix	trans	-63.8	-36.1	173.3	-95.8	-175.3	178.9	173.8	1.5	113.1	I120 G121 S128	I120-R124 WeakPolarHBondContact O-CB 3.27Å; I120-R124 PolarHBondContact O-N 2.77Å; G121-R124 PolarHBondContact O-N 3.14Å; R124-S128 VanDerWaalsContact O-CB 3.27Å; R124-S128 WeakPolarHBondContact O-CB 3.46Å; R124-S128 PolarHBondContact O-N 2.99Å
125	A	81.3	Confident	72.9	Confident	60 Å²	60	110.7 Å²	110.7	50%	0.496	56%	0.563	S	S	.	*	H	α-helix	trans	-67	-46.9	177.3	0	0	0	0	0	111	G121 A122 R123 S128 E129	G121-A125 PolarHBondContact O-N 3.09Å; G121-A125 VanDerWaalsContact O-N 3.09Å; A122-A125 PolarHBondContact O-N 2.9Å; R123-A125 VanDerWaalsContact C-N 3.33Å; R123-A125 PolarHBondContact O-N 3.28Å; A125-S128 PolarHBondContact O-N 3.22Å; A125-E129 PolarHBondContact O-N 2.9Å
126	A	76.5	Confident	73.8	Confident	38 Å²	38	109.1 Å²	109.1	31%	0.314	56%	0.559	S	S	.	*	H	α-helix	trans	-64.7	-40.7	176.7	0	0	0	0	0	112.7	A122 R123 S128 E129 M130	A122-A126 PolarHBondContact O-N 3.39Å; R123-A126 PolarHBondContact O-N 3.39Å; A126-S128 VanDerWaalsContact C-N 3.33Å; A126-S128 PolarHBondContact O-N 3.34Å; A126-E129 PolarHBondContact O-N 2.99Å; A126-M130 PolarHBondContact O-N 3.05Å
127	E	80.5	Confident	74.2	Confident	92 Å²	92	110.5 Å²	110.5	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-65.4	-34.2	173.5	-78.9	175.3	-177.8	0	0	112.4	R123 N131	R123-E127 IonicContact NE-OE1 3.85Å; R123-E127 WeakPolarHBondContact O-CB 3.46Å; R123-E127 WeakPolarHBondContact O-CG 3.22Å; R123-E127 PolarHBondContact O-N 2.9Å; E127-N131 WeakPolarHBondContact O-CB 3.49Å; E127-N131 PolarHBondContact O-N 3.38Å; E127-N131 PolarHBondContact O-ND2 3.36Å; E127-N131 VanDerWaalsContact O-ND2 3.09Å
128	S	79.9	Confident	74.4	Confident	70 Å²	70	104 Å²	104	49%	0.49	53%	0.534	S	S	.	.	H	α-helix	trans	-70.1	-35.1	174.5	-173.6	0	0	0	0	111.9	R124 A125 A126 Q132	R124-S128 VanDerWaalsContact O-CB 3.27Å; R124-S128 WeakPolarHBondContact O-CB 3.46Å; R124-S128 PolarHBondContact O-N 2.99Å; A125-S128 PolarHBondContact O-N 3.22Å; A126-S128 VanDerWaalsContact C-N 3.33Å; A126-S128 PolarHBondContact O-N 3.34Å; S128-Q132 WeakPolarHBondContact O-CB 3.39Å; S128-Q132 PolarHBondContact O-N 2.94Å
129	E	79.3	Confident	74.5	Confident	108 Å²	108	102.5 Å²	102.5	51%	0.505	54%	0.538	S	S	.	.	H	α-helix	trans	-73.7	-43.6	178.2	-158.5	-167.1	135.2	0	0	111.6	A125 A126 Q132 R133	A125-E129 PolarHBondContact O-N 2.9Å; A126-E129 PolarHBondContact O-N 2.99Å; E129-Q132 PolarHBondContact O-N 2.9Å; E129-R133 PolarHBondContact O-N 2.77Å; E129-R133 IonicContact OE1-CZ 3.43Å; E129-R133 IonicContact OE1-NH2 3.43Å; E129-R133 PolarHBondContact OE1-NH2 2.81Å
130	M	78.4	Confident	73.4	Confident	100 Å²	100	102.7 Å²	102.7	49%	0.493	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-44.9	171.7	-79.1	-172	-68.5	0	0	111.5	A126 Q132 R133 D134	A126-M130 PolarHBondContact O-N 3.05Å; M130-Q132 VanDerWaalsContact C-N 3.25Å; M130-Q132 PolarHBondContact O-N 2.85Å; M130-R133 PolarHBondContact O-N 3.22Å; M130-R133 VanDerWaalsContact O-N 3.14Å; M130-D134 WeakPolarHBondContact O-CB 3.37Å; M130-D134 PolarHBondContact O-N 3.45Å
131	N	79.2	Confident	72.2	Confident	99 Å²	99	99 Å²	99	53%	0.529	54%	0.542	S	S	.	.	H	α-helix	trans	-63.5	-29	175.2	-88.8	-50.3	0	0	0	113.2	E127 R135	E127-N131 WeakPolarHBondContact O-CB 3.49Å; E127-N131 PolarHBondContact O-N 3.38Å; E127-N131 PolarHBondContact O-ND2 3.36Å; E127-N131 VanDerWaalsContact O-ND2 3.09Å; N131-R135 WeakPolarHBondContact O-CB 3.16Å; N131-R135 WeakPolarHBondContact O-CG 3.39Å; N131-R135 PolarHBondContact O-N 3Å
132	Q	78.3	Confident	70.6	Confident	118 Å²	118	105.2 Å²	105.2	55%	0.551	56%	0.557	S	S	*	*	H	α-helix	trans	-70	-44.6	172.3	-95	-177.4	2.1	0	0	111.4	S128 E129 M130 R135 M136	S128-Q132 WeakPolarHBondContact O-CB 3.39Å; S128-Q132 PolarHBondContact O-N 2.94Å; E129-Q132 PolarHBondContact O-N 2.9Å; M130-Q132 VanDerWaalsContact C-N 3.25Å; M130-Q132 PolarHBondContact O-N 2.85Å; Q132-R135 PolarHBondContact O-N 2.75Å; Q132-M136 WeakPolarHBondContact O-CG 3.34Å; Q132-M136 PolarHBondContact O-N 2.8Å
133	R	74.5	Confident	68.6	Low	135 Å²	135	105.7 Å²	105.7	51%	0.509	57%	0.566	S	S	.	*	H	α-helix	trans	-61.2	-49.6	174.5	-107.6	-178.1	-83.3	161.7	-8.2	111.5	E129 M130 R135 M136 E137	E129-R133 PolarHBondContact O-N 2.77Å; E129-R133 IonicContact OE1-CZ 3.43Å; E129-R133 IonicContact OE1-NH2 3.43Å; E129-R133 PolarHBondContact OE1-NH2 2.81Å; M130-R133 PolarHBondContact O-N 3.22Å; M130-R133 VanDerWaalsContact O-N 3.14Å; R133-R135 VanDerWaalsContact C-N 3.32Å; R133-R135 PolarHBondContact O-N 2.98Å; R133-M136 CarbonylContact O-C 3.48Å; R133-M136 PolarHBondContact O-N 3.07Å; R133-E137 PolarHBondContact O-N 3.04Å
134	D	75.5	Confident	66.8	Low	90 Å²	90	109.7 Å²	109.7	48%	0.481	58%	0.581	S	S	.	*	H	α-helix	trans	-64.5	-35	177.8	-68.8	-9	0	0	0	111.7	M130 A138	M130-D134 WeakPolarHBondContact O-CB 3.37Å; M130-D134 PolarHBondContact O-N 3.45Å; D134-A138 WeakPolarHBondContact O-CA 3.1Å; D134-A138 WeakPolarHBondContact O-CB 3.25Å; D134-A138 PolarHBondContact O-N 3.13Å
135	R	72.4	Confident	64.7	Low	199 Å²	199	108.1 Å²	108.1	75%	0.751	58%	0.584	S	S	*	*	H	α-helix	trans	-67.9	-37.4	171.2	-91	-177.2	169.3	179.4	-1.6	112.3	N131 Q132 R133 A139	N131-R135 WeakPolarHBondContact O-CB 3.16Å; N131-R135 WeakPolarHBondContact O-CG 3.39Å; N131-R135 PolarHBondContact O-N 3Å; Q132-R135 PolarHBondContact O-N 2.75Å; R133-R135 VanDerWaalsContact C-N 3.32Å; R133-R135 PolarHBondContact O-N 2.98Å; R135-A139 WeakPolarHBondContact O-CB 3.5Å; R135-A139 PolarHBondContact O-N 3.38Å
136	M	67	Low	62.5	Low	136 Å²	136	109.6 Å²	109.6	67%	0.67	60%	0.597	S	S	*	*	H	α-helix	trans	-68.9	-41.2	175.7	-73	-169.7	-159.4	0	0	110.9	Q132 R133 A140	Q132-M136 WeakPolarHBondContact O-CG 3.34Å; Q132-M136 PolarHBondContact O-N 2.8Å; R133-M136 CarbonylContact O-C 3.48Å; R133-M136 PolarHBondContact O-N 3.07Å; M136-A140 VanDerWaalsContact O-CB 3.25Å; M136-A140 WeakPolarHBondContact O-CB 3.38Å; M136-A140 PolarHBondContact O-N 2.93Å
137	E	62.4	Low	60.5	Low	132 Å²	132	111.1 Å²	111.1	62%	0.617	61%	0.605	S	S	*	*	H	α-helix	trans	-71.6	-38.8	177.1	-72.1	-174	176.3	0	0	112.4	R133 A140 G141	R133-E137 PolarHBondContact O-N 3.04Å; E137-A140 CarbonylContact O-C 3.43Å; E137-A140 PolarHBondContact O-N 3.41Å; E137-G141 PolarHBondContact O-N 3.18Å
138	A	59.5	Low	58.4	Low	58 Å²	58	113.2 Å²	113.2	48%	0.479	62%	0.62	S	S	.	*	H	α-helix	trans	-73.4	-33.3	174.9	0	0	0	0	0	112.5	D134 A140 G141 Q142	D134-A138 WeakPolarHBondContact O-CA 3.1Å; D134-A138 WeakPolarHBondContact O-CB 3.25Å; D134-A138 PolarHBondContact O-N 3.13Å; A138-A140 VanDerWaalsContact C-N 3.33Å; A138-G141 PolarHBondContact O-N 3.31Å; A138-Q142 PolarHBondContact O-N 2.81Å
139	A	59.4	Low	56.5	Low	72 Å²	72	117.5 Å²	117.5	60%	0.595	64%	0.636	S	S	*	*	H	α-helix	trans	-69.5	-31.7	170	0	0	0	0	0	111.8	R135	R135-A139 WeakPolarHBondContact O-CB 3.5Å; R135-A139 PolarHBondContact O-N 3.38Å
140	A	54.4	Low	54.7	Low	82 Å²	82	120.9 Å²	120.9	68%	0.678	66%	0.656	S	S	*	*	H	α-helix	trans	-73.1	-30.1	170.2	0	0	0	0	0	112.5	M136 E137 A138	M136-A140 VanDerWaalsContact O-CB 3.25Å; M136-A140 WeakPolarHBondContact O-CB 3.38Å; M136-A140 PolarHBondContact O-N 2.93Å; E137-A140 CarbonylContact O-C 3.43Å; E137-A140 PolarHBondContact O-N 3.41Å; A138-A140 VanDerWaalsContact C-N 3.33Å
141	G	49.9	Very low	53.1	Low	64 Å²	64	125 Å²	125	66%	0.66	67%	0.668	S	S	*	*	H	α-helix	trans	-85.2	-13.1	-176.9	0	0	0	0	0	116.3	E137 A138	E137-G141 PolarHBondContact O-N 3.18Å; A138-G141 PolarHBondContact O-N 3.31Å
142	Q	44.5	Very low	51	Low	180 Å²	180	123.3 Å²	123.3	84%	0.841	67%	0.674	S	S	*	*	S	Bend	trans	-122	8.3	179.9	-70.7	-173.3	-12.8	0	0	114.5	A138	A138-Q142 PolarHBondContact O-N 2.81Å
143	G	36.2	Very low	49.3	Very low	51 Å²	51	128 Å²	128	53%	0.526	69%	0.687	S	S	.	*			trans	-86.1	110.7	175	0	0	0	0	0	112.1	I145	G143-I145 PolarHBondContact O-N 3.33Å
144	R	36.2	Very low	47.8	Very low	236 Å²	236	127 Å²	127	89%	0.891	70%	0.695	S	S	*	*			trans	-36.8	118.9	162.3	-69.7	171.5	170.8	171.5	-4	111.4	A146	R144-A146 PolarHBondContact O-N 3.44Å
145	I	33.7	Very low	46.8	Very low	150 Å²	150	124.2 Å²	124.2	77%	0.769	68%	0.68	S	S	*	*			trans	42.6	70.4	144.8	-48.6	172.5	0	0	0	113.1	G143 S147	G143-I145 PolarHBondContact O-N 3.33Å; I145-S147 VanDerWaalsContact CG2-CB 3.44Å; I145-S147 PolarHBondContact O-N 3.33Å
146	A	34.3	Very low	45.8	Very low	91 Å²	91	123.1 Å²	123.1	75%	0.752	68%	0.684	S	S	*	*			trans	-78.2	55.9	157.4	0	0	0	0	0	109.7	R144 D148	R144-A146 PolarHBondContact O-N 3.44Å; A146-D148 PolarHBondContact O-N 3.03Å
147	S	35.7	Very low	45.4	Very low	71 Å²	71	118.7 Å²	118.7	50%	0.497	66%	0.662	S	S	.	*			trans	-74	-6.3	176.6	-178.7	0	0	0	0	112.9	I145	I145-S147 VanDerWaalsContact CG2-CB 3.44Å; I145-S147 PolarHBondContact O-N 3.33Å
148	D	36.4	Very low	45.4	Very low	136 Å²	136	116.7 Å²	116.7	73%	0.727	66%	0.656	S	S	*	*	S	Bend	trans	-117.8	-5.2	-165.6	-90.2	-13.2	0	0	0	116.1	A146	A146-D148 PolarHBondContact O-N 3.03Å
149	L	40.2	Very low	45.6	Very low	160 Å²	160	114 Å²	114	84%	0.838	63%	0.633	S	S	*	*	S	Bend	trans	-103.1	-5.3	-173.9	-98	98.8	0	0	0	116.6
150	L	40.9	Very low	45.6	Very low	178 Å²	178	113 Å²	113	93%	0.932	62%	0.618	S	S	*	*	S	Bend	trans	-118.1	0.3	170.2	-85.3	151.2	0	0	0	113.1
151	Y	44.1	Very low	45.8	Very low	186 Å²	186	114.6 Å²	114.6	73%	0.729	61%	0.611	S	S	*	*	S	Bend	trans	-92.2	13	173.2	-98.7	-88.2	0	0	0	113.5
152	G	36.3	Very low	46.3	Very low	64 Å²	64	112.4 Å²	112.4	66%	0.66	58%	0.583	S	S	*	*			trans	-98.9	7.4	-171.2	0	0	0	0	0	117.2
153	R	41.7	Very low	47.2	Very low	218 Å²	218	104 Å²	104	82%	0.823	54%	0.544	S	S	*	.			trans	-109.8	87.4	163.8	-83.4	-174.3	178.5	173.8	0.3	108.6	I155	R153-I155 VanDerWaalsContact C-N 3.3Å; R153-I155 PolarHBondContact O-N 2.94Å
154	T	44.2	Very low	48.4	Very low	112 Å²	112	109.4 Å²	109.4	69%	0.687	55%	0.549	S	S	*	.			trans	-63.2	96.3	160.2	25.1	0	0	0	0	107.8	E156	T154-E156 PolarHBondContact O-N 3.15Å
155	I	53.1	Low	49.5	Very low	32 Å²	32	102.4 Å²	102.4	16%	0.164	53%	0.529	C	S	.	.			trans	-74.8	87.8	162.9	-57.2	172.3	0	0	0	105.1	R153 I157 M183	R153-I155 VanDerWaalsContact C-N 3.3Å; R153-I155 PolarHBondContact O-N 2.94Å; I155-I157 HydrophobicContact CG2-CB 4.39Å; I155-I157 HydrophobicContact CG2-CD1 3.62Å; I155-I157 HydrophobicContact CG2-CG1 3.77Å; I155-I157 PolarHBondContact O-N 3.22Å; I155-M183 HydrophobicContact CD1-CE 4.31Å; I155-M183 HydrophobicContact CD1-SD 4.46Å
156	E	52.5	Low	50.7	Low	177 Å²	177	99.1 Å²	99.1	83%	0.827	51%	0.507	S	S	*	.			trans	-74	74.5	173.3	-69.8	-178.5	-176.9	0	0	109	T154	T154-E156 PolarHBondContact O-N 3.15Å
157	I	58.7	Low	51.5	Low	42 Å²	42	106.2 Å²	106.2	22%	0.215	51%	0.514	C	S	.	.			trans	-111.2	116	164.1	-62.8	171.7	0	0	0	106.1	I155 L159 F162 L176	I155-I157 HydrophobicContact CG2-CB 4.39Å; I155-I157 HydrophobicContact CG2-CD1 3.62Å; I155-I157 HydrophobicContact CG2-CG1 3.77Å; I155-I157 PolarHBondContact O-N 3.22Å; I157-L159 PolarHBondContact O-N 2.82Å; I157-F162 HydrophobicContact CG2-CB 4.12Å; I157-F162 HydrophobicContact CG2-CD2 4.43Å; I157-F162 HydrophobicContact CG2-CG 4.48Å; I157-L176 HydrophobicContact CD1-CB 3.53Å; I157-L176 HydrophobicContact CD1-CD1 4.25Å; I157-L176 HydrophobicContact CD1-CG 4.39Å
158	D	62	Low	52.1	Low	90 Å²	90	110.3 Å²	110.3	48%	0.481	53%	0.53	S	S	.	.			trans	-68.3	100.1	166	-179.5	0.2	0	0	0	107.8	L160 H161 F162	D158-L160 PolarHBondContact O-N 3.04Å; D158-L160 WeakPolarHBondContact OD1-CB 3.02Å; D158-L160 PolarHBondContact OD1-N 2.99Å; D158-L160 VanDerWaalsContact OD1-N 3.09Å; D158-H161 HydrophobicContact CB-CB 3.95Å; D158-H161 PolarHBondContact O-N 2.92Å; D158-H161 VanDerWaalsContact O-N 3.15Å; D158-H161 PolarHBondContact OD1-N 2.65Å; D158-F162 PolarHBondContact O-N 2.73Å
159	L	63.6	Low	53	Low	1 Å²	1	107.6 Å²	107.6	1%	0.005	52%	0.515	C	S	.	.	H	α-helix	trans	-59.1	-32.6	-178.5	-68	172.3	0	0	0	111.3	I157 F162 F163 A177 R180 I181 L184 I235	I157-L159 PolarHBondContact O-N 2.82Å; L159-F162 WeakPolarHBondContact O-CB 3Å; L159-F162 PolarHBondContact O-N 3.2Å; L159-F163 HydrophobicContact CD2-CE2 4.41Å; L159-F163 WeakPolarHBondContact O-CD2 3.38Å; L159-F163 PolarHBondContact O-N 2.87Å; L159-A177 HydrophobicContact CD2-CB 4.04Å; L159-R180 HydrophobicContact CD1-CG 3.99Å; L159-R180 HydrophobicContact CD2-CB 4.22Å; L159-R180 HydrophobicContact CD2-CG 4.1Å; L159-R180 HydrophobicContact CG-CG 4.13Å; L159-I181 HydrophobicContact CD1-CG1 4.09Å; L159-I181 HydrophobicContact CD2-CG1 4.34Å; L159-L184 HydrophobicContact CD1-CD1 3.7Å; L159-I235 HydrophobicContact CB-CD1 3.4Å; L159-I235 VanDerWaalsContact CB-CD1 3.4Å; L159-I235 HydrophobicContact CD1-CD1 3.75Å; L159-I235 HydrophobicContact CG-CD1 4.17Å
160	L	59.7	Low	53.7	Low	52 Å²	52	105.4 Å²	105.4	27%	0.272	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-45.2	176.9	-74.2	156.2	0	0	0	111.3	D158 F162 R164 Y234	D158-L160 PolarHBondContact O-N 3.04Å; D158-L160 WeakPolarHBondContact OD1-CB 3.02Å; D158-L160 PolarHBondContact OD1-N 2.99Å; D158-L160 VanDerWaalsContact OD1-N 3.09Å; L160-F162 VanDerWaalsContact C-N 3.31Å; L160-R164 WeakPolarHBondContact O-CB 3.5Å; L160-R164 WeakPolarHBondContact O-CG 3.47Å; L160-R164 PolarHBondContact O-N 3.18Å; L160-R164 VanDerWaalsContact O-N 3.15Å; L160-Y234 HydrophobicContact CD2-CD1 3.03Å; L160-Y234 HydrophobicContact CD2-CD2 4.19Å; L160-Y234 HydrophobicContact CD2-CE1 3.3Å; L160-Y234 HydrophobicContact CD2-CE2 4.38Å; L160-Y234 HydrophobicContact CD2-CG 3.54Å; L160-Y234 HydrophobicContact CG-CD1 4.4Å
161	H	58.6	Low	54.7	Low	116 Å²	116	102 Å²	102	54%	0.537	49%	0.493	S	S	.	.	H	α-helix	trans	-65.8	-37.6	175.7	-176.5	-87.5	0	0	0	111.5	D158 N165	D158-H161 HydrophobicContact CB-CB 3.95Å; D158-H161 PolarHBondContact O-N 2.92Å; D158-H161 VanDerWaalsContact O-N 3.15Å; D158-H161 PolarHBondContact OD1-N 2.65Å; H161-N165 PolarHBondContact CE1-ND2 3.1Å; H161-N165 PolarHBondContact NE2-ND2 3.06Å; H161-N165 PolarHBondContact O-N 3.22Å
162	F	59.6	Low	55.6	Low	18 Å²	18	96.5 Å²	96.5	8%	0.079	48%	0.482	C	S	.	.	H	α-helix	trans	-60.7	-54.2	177.7	-179.3	-95.4	0	0	0	112.2	I157 D158 L159 L160 N165 L169 S173 L174 A177	I157-F162 HydrophobicContact CG2-CB 4.12Å; I157-F162 HydrophobicContact CG2-CD2 4.43Å; I157-F162 HydrophobicContact CG2-CG 4.48Å; D158-F162 PolarHBondContact O-N 2.73Å; L159-F162 WeakPolarHBondContact O-CB 3Å; L159-F162 PolarHBondContact O-N 3.2Å; L160-F162 VanDerWaalsContact C-N 3.31Å; F162-N165 PolarHBondContact O-N 3.07Å; F162-L169 HydrophobicContact CD2-CD1 4.46Å; F162-L169 HydrophobicContact CD2-CD2 4.12Å; F162-L169 HydrophobicContact CE2-CD1 4.36Å; F162-L169 HydrophobicContact CE2-CD2 3.78Å; F162-S173 WeakPolarHBondContact CE2-O 3.48Å; F162-S173 WeakPolarHBondContact CE2-OG 3.27Å; F162-S173 VanDerWaalsContact CZ-C 3.46Å; F162-S173 WeakPolarHBondContact CZ-O 3.38Å; F162-L174 HydrophobicContact CE1-CD1 4.39Å; F162-A177 HydrophobicContact CD1-CB 3.77Å; F162-A177 HydrophobicContact CE1-CB 3.53Å; F162-A177 HydrophobicContact CE2-CB 4.47Å; F162-A177 HydrophobicContact CG-CB 4.37Å; F162-A177 HydrophobicContact CZ-CB 3.94Å
163	F	63.3	Low	57.1	Low	3 Å²	3	94.4 Å²	94.4	1%	0.013	46%	0.457	C	S	.	.	H	α-helix	trans	-70.4	-33.3	-177.4	-76.7	-72	0	0	0	112.8	L159 N165 R166 I181 I235 Y239	L159-F163 HydrophobicContact CD2-CE2 4.41Å; L159-F163 WeakPolarHBondContact O-CD2 3.38Å; L159-F163 PolarHBondContact O-N 2.87Å; F163-N165 PolarHBondContact O-N 3.31Å; F163-R166 VanDerWaalsContact CD1-NH2 3.32Å; F163-R166 WeakPolarHBondContact O-CG 3.2Å; F163-I181 HydrophobicContact CE2-CD1 4.12Å; F163-I181 HydrophobicContact CZ-CD1 4.02Å; F163-I235 HydrophobicContact CD2-CD1 4.13Å; F163-I235 HydrophobicContact CD2-CG1 4.12Å; F163-I235 HydrophobicContact CD2-CG2 3.73Å; F163-I235 HydrophobicContact CE2-CD1 4.14Å; F163-I235 HydrophobicContact CE2-CG1 4.45Å; F163-I235 HydrophobicContact CE2-CG2 3.61Å; F163-I235 HydrophobicContact CG-CG2 4.37Å; F163-I235 HydrophobicContact CZ-CG2 4.13Å; F163-Y239 HydrophobicContact CB-CD2 4.04Å; F163-Y239 HydrophobicContact CB-CE2 3.65Å; F163-Y239 AromaticContact CD1-CD2 3.78Å; F163-Y239 HydrophobicContact CD1-CD2 3.78Å; F163-Y239 HydrophobicContact CD1-CE2 4.06Å; F163-Y239 HydrophobicContact CD1-CG 4.1Å; F163-Y239 HydrophobicContact CG-CD2 4Å; F163-Y239 HydrophobicContact CG-CE2 4.12Å; F163-Y239 PolarHBondContact O-OH 3.42Å
164	R	60.9	Low	58.4	Low	165 Å²	165	87.1 Å²	87.1	62%	0.623	43%	0.434	S	S	*	.	H	α-helix	trans	-66.7	-32.4	176.5	-78.7	-179.1	173.7	174.7	1.4	113.8	L160 Y234	L160-R164 WeakPolarHBondContact O-CB 3.5Å; L160-R164 WeakPolarHBondContact O-CG 3.47Å; L160-R164 PolarHBondContact O-N 3.18Å; L160-R164 VanDerWaalsContact O-N 3.15Å; R164-Y234 PolarHBondContact NH2-OH 3.05Å
165	N	59.3	Low	59.9	Low	89 Å²	89	85.5 Å²	85.5	48%	0.476	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	18.3	-176.6	-77	-28.7	0	0	0	114.3	H161 F162 F163 R167 L169	H161-N165 PolarHBondContact CE1-ND2 3.1Å; H161-N165 PolarHBondContact NE2-ND2 3.06Å; H161-N165 PolarHBondContact O-N 3.22Å; F162-N165 PolarHBondContact O-N 3.07Å; F163-N165 PolarHBondContact O-N 3.31Å; N165-R167 PolarHBondContact O-N 2.91Å; N165-L169 WeakPolarHBondContact O-CD1 3.43Å
166	R	58.9	Low	61	Low	81 Å²	81	87.5 Å²	87.5	31%	0.306	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-45.1	-23.6	-174.5	-104.8	-170.5	-175.6	-167.2	18.6	117.6	F163 N168 Y239 E242	F163-R166 VanDerWaalsContact CD1-NH2 3.32Å; F163-R166 WeakPolarHBondContact O-CG 3.2Å; R166-N168 PolarHBondContact O-N 2.64Å; R166-Y239 VanDerWaalsContact CZ-CD1 3.42Å; R166-E242 IonicContact CZ-OE1 3.99Å; R166-E242 IonicContact CZ-OE2 2.7Å; R166-E242 IonicContact NH1-OE1 2.7Å; R166-E242 PolarHBondContact NH1-OE1 3.43Å; R166-E242 IonicContact NH1-OE2 2.76Å; R166-E242 IonicContact NH2-OE1 3.12Å; R166-E242 PolarHBondContact NH2-OE1 3.49Å; R166-E242 IonicContact NH2-OE2 2.84Å; R166-E242 PolarHBondContact NH2-OE2 3.4Å
167	R	52.7	Low	62.2	Low	240 Å²	240	79 Å²	79	91%	0.906	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-63.2	-15.2	-169.3	-67.6	-176.5	-176.5	161	2.3	114.8	N165	N165-R167 PolarHBondContact O-N 2.91Å
168	N	48.6	Very low	63.3	Low	157 Å²	157	79.2 Å²	79.2	84%	0.84	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-136.8	26.4	-173.6	-73.2	-20.3	0	0	0	115.4	R166	R166-N168 PolarHBondContact O-N 2.64Å
169	L	53.8	Low	64.4	Low	78 Å²	78	80 Å²	80	41%	0.408	40%	0.397	S	S	.	.			trans	-103.1	131.1	-168	-82.8	141.9	0	0	0	114.7	F162 N165 S173	F162-L169 HydrophobicContact CD2-CD1 4.46Å; F162-L169 HydrophobicContact CD2-CD2 4.12Å; F162-L169 HydrophobicContact CE2-CD1 4.36Å; F162-L169 HydrophobicContact CE2-CD2 3.78Å; N165-L169 WeakPolarHBondContact O-CD1 3.43Å; L169-S173 WeakPolarHBondContact CD2-OG 3.4Å
170	D	55.9	Low	65.3	Low	114 Å²	114	82.9 Å²	82.9	61%	0.61	41%	0.408	S	S	*	.			trans	-64.3	147.2	177.5	-68.2	-39.8	0	0	0	112	S172 S173	D170-S172 PolarHBondContact O-N 3.3Å; D170-S173 WeakPolarHBondContact O-CB 3.42Å; D170-S173 PolarHBondContact O-N 3.22Å; D170-S173 PolarHBondContact O-OG 3.37Å
171	P	62.3	Low	66.5	Low	107 Å²	107	80.5 Å²	80.5	70%	0.695	40%	0.396	S	S	*	.	H	α-helix	trans	-54.1	-29.2	178.5	-25.8	32.9	0	0	0	114.9	S173 L174 T175	P171-S173 VanDerWaalsContact C-N 3.28Å; P171-S173 PolarHBondContact O-N 3.01Å; P171-L174 WeakPolarHBondContact O-CB 3.08Å; P171-L174 PolarHBondContact O-N 3.45Å; P171-T175 PolarHBondContact O-N 3.17Å
172	S	63.1	Low	67.9	Low	70 Å²	70	76.1 Å²	76.1	49%	0.49	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-35.3	176.6	52.1	0	0	0	0	112.5	D170 L174 T175 L176	D170-S172 PolarHBondContact O-N 3.3Å; S172-L174 VanDerWaalsContact C-N 3.31Å; S172-L174 PolarHBondContact O-N 3.17Å; S172-T175 PolarHBondContact O-N 2.81Å; S172-T175 PolarHBondContact O-OG1 3.5Å; S172-L176 PolarHBondContact O-N 3.02Å
173	S	67.1	Low	69.1	Low	21 Å²	21	79.8 Å²	79.8	15%	0.147	40%	0.398	C	S	.	.	H	α-helix	trans	-70.7	-30.4	-178.8	76	0	0	0	0	111.8	F162 L169 D170 P171 L176 A177	F162-S173 WeakPolarHBondContact CE2-O 3.48Å; F162-S173 WeakPolarHBondContact CE2-OG 3.27Å; F162-S173 VanDerWaalsContact CZ-C 3.46Å; F162-S173 WeakPolarHBondContact CZ-O 3.38Å; L169-S173 WeakPolarHBondContact CD2-OG 3.4Å; D170-S173 WeakPolarHBondContact O-CB 3.42Å; D170-S173 PolarHBondContact O-N 3.22Å; D170-S173 PolarHBondContact O-OG 3.37Å; P171-S173 VanDerWaalsContact C-N 3.28Å; P171-S173 PolarHBondContact O-N 3.01Å; S173-L176 PolarHBondContact O-N 3.5Å; S173-A177 PolarHBondContact O-N 3.06Å; S173-A177 VanDerWaalsContact O-N 3.15Å
174	L	69.5	Low	70.1	Confident	64 Å²	64	80 Å²	80	34%	0.335	40%	0.399	S	S	.	.	H	α-helix	trans	-67	-37.9	172.3	-174.7	65	0	0	0	112.2	F162 P171 S172 L176 A177 N178	F162-L174 HydrophobicContact CE1-CD1 4.39Å; P171-L174 WeakPolarHBondContact O-CB 3.08Å; P171-L174 PolarHBondContact O-N 3.45Å; S172-L174 VanDerWaalsContact C-N 3.31Å; S172-L174 PolarHBondContact O-N 3.17Å; L174-L176 PolarHBondContact O-N 3.35Å; L174-A177 PolarHBondContact O-N 3.37Å; L174-N178 WeakPolarHBondContact O-CB 3.43Å; L174-N178 PolarHBondContact O-N 3.09Å; L174-N178 PolarHBondContact O-ND2 3.26Å
175	T	75.1	Confident	71.4	Confident	79 Å²	79	72.1 Å²	72.1	49%	0.485	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-41.2	177.4	59.5	0	0	0	0	112.3	P171 S172 N178 E179	P171-T175 PolarHBondContact O-N 3.17Å; S172-T175 PolarHBondContact O-N 2.81Å; S172-T175 PolarHBondContact O-OG1 3.5Å; T175-N178 PolarHBondContact O-N 3Å; T175-E179 WeakPolarHBondContact O-CG 3.27Å; T175-E179 PolarHBondContact O-N 2.83Å
176	L	76.7	Confident	72.7	Confident	73 Å²	73	71 Å²	71	38%	0.382	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-40	176	-72.1	161.4	0	0	0	112.2	I157 S172 S173 L174 E179 R180	I157-L176 HydrophobicContact CD1-CB 3.53Å; I157-L176 HydrophobicContact CD1-CD1 4.25Å; I157-L176 HydrophobicContact CD1-CG 4.39Å; S172-L176 PolarHBondContact O-N 3.02Å; S173-L176 PolarHBondContact O-N 3.5Å; L174-L176 PolarHBondContact O-N 3.35Å; L176-E179 PolarHBondContact O-N 3.48Å; L176-R180 WeakPolarHBondContact O-CB 3.39Å; L176-R180 PolarHBondContact O-N 2.87Å
177	A	77.1	Confident	73.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-43.3	174.6	0	0	0	0	0	111.4	L159 F162 S173 L174 R180 I181	L159-A177 HydrophobicContact CD2-CB 4.04Å; F162-A177 HydrophobicContact CD1-CB 3.77Å; F162-A177 HydrophobicContact CE1-CB 3.53Å; F162-A177 HydrophobicContact CE2-CB 4.47Å; F162-A177 HydrophobicContact CG-CB 4.37Å; F162-A177 HydrophobicContact CZ-CB 3.94Å; S173-A177 PolarHBondContact O-N 3.06Å; S173-A177 VanDerWaalsContact O-N 3.15Å; L174-A177 PolarHBondContact O-N 3.37Å; A177-R180 PolarHBondContact O-N 3.18Å; A177-I181 WeakPolarHBondContact O-CD1 3.16Å; A177-I181 VanDerWaalsContact O-CG1 3.26Å; A177-I181 WeakPolarHBondContact O-CG1 2.94Å; A177-I181 PolarHBondContact O-N 3.43Å
178	N	82.6	Confident	75.5	Confident	46 Å²	46	56.5 Å²	56.5	25%	0.246	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-42.4	177	-70.5	-18.6	0	0	0	112.4	L174 T175 R180 I181 A182 V246	L174-N178 WeakPolarHBondContact O-CB 3.43Å; L174-N178 PolarHBondContact O-N 3.09Å; L174-N178 PolarHBondContact O-ND2 3.26Å; T175-N178 PolarHBondContact O-N 3Å; N178-R180 VanDerWaalsContact C-N 3.34Å; N178-I181 PolarHBondContact O-N 2.78Å; N178-A182 WeakPolarHBondContact O-CB 3.41Å; N178-A182 PolarHBondContact O-N 3.3Å; N178-V246 HydrophobicContact CB-CG2 4.17Å
179	E	84.5	Confident	77.3	Confident	105 Å²	105	49.2 Å²	49.2	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-42.1	174.6	-74.6	-178.1	179.3	0	0	111.6	T175 L176 A182 M183	T175-E179 WeakPolarHBondContact O-CG 3.27Å; T175-E179 PolarHBondContact O-N 2.83Å; L176-E179 PolarHBondContact O-N 3.48Å; E179-A182 PolarHBondContact O-N 3.06Å; E179-M183 WeakPolarHBondContact O-CG 3.36Å; E179-M183 PolarHBondContact O-N 2.91Å
180	R	82.9	Confident	78.7	Confident	63 Å²	63	50.5 Å²	50.5	24%	0.238	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-48.4	176.7	-178.2	62.8	178.3	161.4	1.3	111.2	L159 L176 A177 N178 A182 M183 L184	L159-R180 HydrophobicContact CD1-CG 3.99Å; L159-R180 HydrophobicContact CD2-CB 4.22Å; L159-R180 HydrophobicContact CD2-CG 4.1Å; L159-R180 HydrophobicContact CG-CG 4.13Å; L176-R180 WeakPolarHBondContact O-CB 3.39Å; L176-R180 PolarHBondContact O-N 2.87Å; A177-R180 PolarHBondContact O-N 3.18Å; N178-R180 VanDerWaalsContact C-N 3.34Å; R180-A182 VanDerWaalsContact C-N 3.25Å; R180-A182 PolarHBondContact O-N 3.41Å; R180-M183 PolarHBondContact O-N 3.23Å; R180-L184 HydrophobicContact CG-CD1 4.18Å; R180-L184 VanDerWaalsContact O-CG 3.27Å; R180-L184 WeakPolarHBondContact O-CG 3.28Å; R180-L184 PolarHBondContact O-N 3.02Å
181	I	84.7	Confident	80	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-56	-43.6	175.2	-70.2	163.5	0	0	0	110.4	L159 F163 A177 N178 L184 F185 L232 V243 V246	L159-I181 HydrophobicContact CD1-CG1 4.09Å; L159-I181 HydrophobicContact CD2-CG1 4.34Å; F163-I181 HydrophobicContact CE2-CD1 4.12Å; F163-I181 HydrophobicContact CZ-CD1 4.02Å; A177-I181 WeakPolarHBondContact O-CD1 3.16Å; A177-I181 VanDerWaalsContact O-CG1 3.26Å; A177-I181 WeakPolarHBondContact O-CG1 2.94Å; A177-I181 PolarHBondContact O-N 3.43Å; N178-I181 PolarHBondContact O-N 2.78Å; I181-L184 PolarHBondContact O-N 3.15Å; I181-F185 WeakPolarHBondContact O-CB 3.19Å; I181-F185 PolarHBondContact O-N 2.95Å; I181-L232 HydrophobicContact CG2-CD1 3.79Å; I181-V243 HydrophobicContact CD1-CG2 4.43Å; I181-V243 HydrophobicContact CG2-CG1 4.42Å; I181-V246 HydrophobicContact CB-CG1 4.29Å; I181-V246 HydrophobicContact CG2-CB 4.39Å; I181-V246 HydrophobicContact CG2-CG1 3.82Å
182	A	87.5	Confident	80.9	Confident	24 Å²	24	44 Å²	44	20%	0.198	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-43.8	179.6	0	0	0	0	0	112.7	N178 E179 R180 F185 Q186 V246 V250	N178-A182 WeakPolarHBondContact O-CB 3.41Å; N178-A182 PolarHBondContact O-N 3.3Å; E179-A182 PolarHBondContact O-N 3.06Å; R180-A182 VanDerWaalsContact C-N 3.25Å; R180-A182 PolarHBondContact O-N 3.41Å; A182-F185 PolarHBondContact O-N 2.78Å; A182-Q186 WeakPolarHBondContact O-CB 3.44Å; A182-Q186 PolarHBondContact O-N 2.89Å; A182-V246 HydrophobicContact CB-CG1 4.11Å; A182-V250 HydrophobicContact CB-CG2 3.48Å; A182-V250 VanDerWaalsContact CB-CG2 3.48Å
183	M	85.2	Confident	81.7	Confident	96 Å²	96	47.4 Å²	47.4	47%	0.473	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-45.3	176.3	-72	-177.1	-175.5	0	0	112.1	I155 E179 R180 Q186 G187	I155-M183 HydrophobicContact CD1-CE 4.31Å; I155-M183 HydrophobicContact CD1-SD 4.46Å; E179-M183 WeakPolarHBondContact O-CG 3.36Å; E179-M183 PolarHBondContact O-N 2.91Å; R180-M183 PolarHBondContact O-N 3.23Å; M183-Q186 PolarHBondContact O-N 3.31Å; M183-G187 PolarHBondContact O-N 3.45Å
184	L	84.2	Confident	82.1	Confident	6 Å²	6	49.4 Å²	49.4	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-47.8	178	-68.6	174	0	0	0	110.8	L159 R180 I181 G187 F188 E229	L159-L184 HydrophobicContact CD1-CD1 3.7Å; R180-L184 HydrophobicContact CG-CD1 4.18Å; R180-L184 VanDerWaalsContact O-CG 3.27Å; R180-L184 WeakPolarHBondContact O-CG 3.28Å; R180-L184 PolarHBondContact O-N 3.02Å; I181-L184 PolarHBondContact O-N 3.15Å; L184-G187 PolarHBondContact O-N 3.39Å; L184-F188 WeakPolarHBondContact O-CB 3.17Å; L184-F188 PolarHBondContact O-N 3.29Å; L184-E229 HydrophobicContact CB-CB 4.42Å; L184-E229 HydrophobicContact CB-CG 3.99Å; L184-E229 HydrophobicContact CD2-CG 4.24Å; L184-E229 WeakPolarHBondContact CD2-OE2 3.42Å
185	F	87.3	Confident	82.2	Confident	1 Å²	1	55.5 Å²	55.5	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-67.8	-38.7	-179.8	-174.3	-119.5	0	0	0	112.9	I181 A182 G187 F188 L189 V218 L232 L247 V250 V271	I181-F185 WeakPolarHBondContact O-CB 3.19Å; I181-F185 PolarHBondContact O-N 2.95Å; A182-F185 PolarHBondContact O-N 2.78Å; F185-G187 VanDerWaalsContact C-N 3.34Å; F185-F188 HydrophobicContact CD2-CD1 4.07Å; F185-F188 HydrophobicContact CE2-CD1 4.1Å; F185-F188 WeakPolarHBondContact O-CB 3.24Å; F185-F188 PolarHBondContact O-N 3.44Å; F185-L189 HydrophobicContact CD1-CD1 4.08Å; F185-L189 HydrophobicContact CE1-CD1 3.6Å; F185-L189 HydrophobicContact CE1-CG 4.17Å; F185-L189 HydrophobicContact CE2-CD2 4.19Å; F185-L189 HydrophobicContact CE2-CG 4.2Å; F185-L189 HydrophobicContact CZ-CD1 3.85Å; F185-L189 HydrophobicContact CZ-CD2 3.99Å; F185-L189 HydrophobicContact CZ-CG 4Å; F185-L189 WeakPolarHBondContact O-CG 3.39Å; F185-L189 PolarHBondContact O-N 3.27Å; F185-V218 HydrophobicContact CE2-CG2 4.4Å; F185-V218 HydrophobicContact CZ-CG2 4.29Å; F185-L232 HydrophobicContact CB-CD2 4.41Å; F185-L232 HydrophobicContact CD2-CD2 3.94Å; F185-L247 HydrophobicContact CB-CD2 3.71Å; F185-L247 HydrophobicContact CD1-CB 4.42Å; F185-L247 HydrophobicContact CD1-CD2 3.49Å; F185-L247 VanDerWaalsContact CD1-CD2 3.49Å; F185-L247 HydrophobicContact CD2-CD2 3.52Å; F185-L247 HydrophobicContact CE1-CB 4.18Å; F185-L247 HydrophobicContact CE1-CD2 3.9Å; F185-L247 HydrophobicContact CE2-CD2 3.93Å; F185-L247 HydrophobicContact CG-CD2 3.29Å; F185-L247 HydrophobicContact CZ-CD2 4.1Å; F185-V250 HydrophobicContact CD1-CB 3.79Å; F185-V250 HydrophobicContact CD1-CG1 3.6Å; F185-V250 HydrophobicContact CE1-CB 4.38Å; F185-V250 HydrophobicContact CE1-CG1 4.31Å; F185-V271 HydrophobicContact CE1-CG2 4.4Å; F185-V271 HydrophobicContact CZ-CG1 4.3Å; F185-V271 HydrophobicContact CZ-CG2 4.32Å
186	Q	87	Confident	82.1	Confident	66 Å²	66	60.7 Å²	60.7	31%	0.308	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-42.8	173.9	-171.5	-174.2	-30.2	0	0	111.2	A182 M183 L189 Q190 V250	A182-Q186 WeakPolarHBondContact O-CB 3.44Å; A182-Q186 PolarHBondContact O-N 2.89Å; M183-Q186 PolarHBondContact O-N 3.31Å; Q186-L189 PolarHBondContact O-N 3.45Å; Q186-Q190 WeakPolarHBondContact O-CG 3.28Å; Q186-Q190 PolarHBondContact O-N 3.2Å; Q186-V250 HydrophobicContact CB-CG1 3.91Å
187	G	84.5	Confident	82	Confident	14 Å²	14	59.1 Å²	59.1	14%	0.144	30%	0.295	C	S	.	.	H	α-helix	trans	-57.1	-49.5	173.7	0	0	0	0	0	111.3	M183 L184 F185 L189 Q190 S191	M183-G187 PolarHBondContact O-N 3.45Å; L184-G187 PolarHBondContact O-N 3.39Å; F185-G187 VanDerWaalsContact C-N 3.34Å; G187-L189 PolarHBondContact O-N 3.49Å; G187-Q190 PolarHBondContact O-N 3.04Å; G187-S191 VanDerWaalsContact O-CB 3.23Å; G187-S191 WeakPolarHBondContact O-CB 3.22Å; G187-S191 PolarHBondContact O-N 3.31Å; G187-S191 PolarHBondContact O-OG 2.98Å
188	F	86.9	Confident	82.1	Confident	1 Å²	1	62.8 Å²	62.8	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-56.6	-48.3	177.7	171.7	-105.8	0	0	0	113.4	L184 F185 Q190 S191 Y192 Y201 V218 H222 L223 E229	L184-F188 WeakPolarHBondContact O-CB 3.17Å; L184-F188 PolarHBondContact O-N 3.29Å; F185-F188 HydrophobicContact CD2-CD1 4.07Å; F185-F188 HydrophobicContact CE2-CD1 4.1Å; F185-F188 WeakPolarHBondContact O-CB 3.24Å; F185-F188 PolarHBondContact O-N 3.44Å; F188-Q190 PolarHBondContact O-N 3.12Å; F188-S191 PolarHBondContact O-N 2.84Å; F188-Y192 HydrophobicContact CD2-CD2 4.44Å; F188-Y192 AromaticContact CE2-CD2 3.73Å; F188-Y192 HydrophobicContact CE2-CD2 3.73Å; F188-Y192 HydrophobicContact CE2-CE2 4.47Å; F188-Y192 HydrophobicContact CE2-CG 4.07Å; F188-Y192 HydrophobicContact CZ-CD2 4.4Å; F188-Y192 HydrophobicContact CZ-CG 4.47Å; F188-Y192 VanDerWaalsContact O-CB 3.23Å; F188-Y192 WeakPolarHBondContact O-CB 3.25Å; F188-Y192 PolarHBondContact O-N 3.47Å; F188-Y192 VanDerWaalsContact O-N 3.08Å; F188-Y201 HydrophobicContact CD1-CE2 4.37Å; F188-Y201 HydrophobicContact CE1-CD2 4.05Å; F188-Y201 AromaticContact CE1-CE2 3.4Å; F188-Y201 HydrophobicContact CE1-CE2 3.4Å; F188-Y201 AromaticContact CE1-CZ 3.69Å; F188-Y201 HydrophobicContact CE2-CE2 4.15Å; F188-Y201 HydrophobicContact CZ-CD2 4.24Å; F188-Y201 AromaticContact CZ-CE2 3.28Å; F188-Y201 HydrophobicContact CZ-CE2 3.28Å; F188-Y201 AromaticContact CZ-CZ 3.66Å; F188-V218 HydrophobicContact CE1-CG1 4.08Å; F188-H222 HydrophobicContact CE2-CB 4.43Å; F188-H222 HydrophobicContact CZ-CB 4.01Å; F188-L223 HydrophobicContact CD1-CD2 3.62Å; F188-L223 HydrophobicContact CD2-CD2 4.03Å; F188-L223 HydrophobicContact CE1-CD2 3.36Å; F188-L223 HydrophobicContact CE1-CG 4.06Å; F188-L223 HydrophobicContact CE2-CD2 3.79Å; F188-L223 HydrophobicContact CE2-CG 4.43Å; F188-L223 HydrophobicContact CG-CD2 3.93Å; F188-L223 HydrophobicContact CZ-CD2 3.42Å; F188-L223 VanDerWaalsContact CZ-CD2 3.42Å; F188-L223 HydrophobicContact CZ-CG 3.86Å; F188-E229 HydrophobicContact CB-CG 4.32Å
189	L	85.5	Confident	82	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-30.8	-179.1	-71.8	178.3	0	0	0	112.9	F185 Q186 G187 Y201 L216 L254	F185-L189 HydrophobicContact CD1-CD1 4.08Å; F185-L189 HydrophobicContact CE1-CD1 3.6Å; F185-L189 HydrophobicContact CE1-CG 4.17Å; F185-L189 HydrophobicContact CE2-CD2 4.19Å; F185-L189 HydrophobicContact CE2-CG 4.2Å; F185-L189 HydrophobicContact CZ-CD1 3.85Å; F185-L189 HydrophobicContact CZ-CD2 3.99Å; F185-L189 HydrophobicContact CZ-CG 4Å; F185-L189 WeakPolarHBondContact O-CG 3.39Å; F185-L189 PolarHBondContact O-N 3.27Å; Q186-L189 PolarHBondContact O-N 3.45Å; G187-L189 PolarHBondContact O-N 3.49Å; L189-Y201 HydrophobicContact CD2-CD1 4.14Å; L189-Y201 HydrophobicContact CD2-CD2 4.31Å; L189-Y201 HydrophobicContact CD2-CG 3.83Å; L189-L216 HydrophobicContact CD2-CD2 4.46Å; L189-L254 HydrophobicContact CB-CD1 4.04Å; L189-L254 HydrophobicContact CD1-CD1 4.11Å
190	Q	82.9	Confident	82	Confident	105 Å²	105	58.6 Å²	58.6	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-89.8	-34.3	-178.6	-65.8	-176.2	-3.7	0	0	113.3	Q186 G187 F188 N199 L254	Q186-Q190 WeakPolarHBondContact O-CG 3.28Å; Q186-Q190 PolarHBondContact O-N 3.2Å; G187-Q190 PolarHBondContact O-N 3.04Å; F188-Q190 PolarHBondContact O-N 3.12Å; Q190-N199 PolarHBondContact O-ND2 3.49Å; Q190-L254 HydrophobicContact CG-CD1 4.15Å
191	S	82.6	Confident	82.2	Confident	69 Å²	69	55.6 Å²	55.6	48%	0.483	29%	0.288	S	S	.	.	H	α-helix	trans	-87.7	-26.8	-173.4	70.4	0	0	0	0	113.6	G187 F188 R193	G187-S191 VanDerWaalsContact O-CB 3.23Å; G187-S191 WeakPolarHBondContact O-CB 3.22Å; G187-S191 PolarHBondContact O-N 3.31Å; G187-S191 PolarHBondContact O-OG 2.98Å; F188-S191 PolarHBondContact O-N 2.84Å; S191-R193 PolarHBondContact O-N 3.31Å; S191-R193 VanDerWaalsContact O-N 3.11Å
192	Y	82.1	Confident	82.3	Confident	17 Å²	17	59.8 Å²	59.8	7%	0.067	31%	0.31	C	S	.	.			trans	-68.4	113.5	-171.6	-173	-92.9	0	0	0	112.1	F188 V200 Y201 H222	F188-Y192 HydrophobicContact CD2-CD2 4.44Å; F188-Y192 AromaticContact CE2-CD2 3.73Å; F188-Y192 HydrophobicContact CE2-CD2 3.73Å; F188-Y192 HydrophobicContact CE2-CE2 4.47Å; F188-Y192 HydrophobicContact CE2-CG 4.07Å; F188-Y192 HydrophobicContact CZ-CD2 4.4Å; F188-Y192 HydrophobicContact CZ-CG 4.47Å; F188-Y192 VanDerWaalsContact O-CB 3.23Å; F188-Y192 WeakPolarHBondContact O-CB 3.25Å; F188-Y192 PolarHBondContact O-N 3.47Å; F188-Y192 VanDerWaalsContact O-N 3.08Å; Y192-V200 HydrophobicContact CD1-CB 4.39Å; Y192-V200 HydrophobicContact CD1-CG2 4.35Å; Y192-V200 HydrophobicContact CE1-CB 4.45Å; Y192-V200 HydrophobicContact CE1-CG2 4.1Å; Y192-Y201 AromaticContact CD1-CD2 3.85Å; Y192-Y201 HydrophobicContact CD1-CD2 3.85Å; Y192-Y201 AromaticContact CD1-CE2 3.52Å; Y192-Y201 HydrophobicContact CD1-CE2 3.52Å; Y192-Y201 HydrophobicContact CE1-CE2 4.18Å; Y192-Y201 HydrophobicContact CG-CD2 4.13Å; Y192-Y201 AromaticContact CG-CE2 3.79Å; Y192-Y201 HydrophobicContact CG-CE2 3.79Å; Y192-H222 HydrophobicContact CD2-CB 4.37Å; Y192-H222 HydrophobicContact CE1-CB 4.09Å; Y192-H222 AromaticContact CE1-CE1 3.89Å; Y192-H222 AromaticContact CE1-CG 3.74Å; Y192-H222 AromaticContact CE1-ND1 3.37Å; Y192-H222 WeakPolarHBondContact CE1-ND1 3.35Å; Y192-H222 HydrophobicContact CE2-CB 3.71Å; Y192-H222 AromaticContact CZ-CD2 3.9Å; Y192-H222 AromaticContact CZ-CG 3.41Å; Y192-H222 VanDerWaalsContact CZ-CG 3.41Å; Y192-H222 AromaticContact CZ-ND1 3.57Å; Y192-H222 PolarHBondContact OH-CD2 3.19Å
193	R	80.3	Confident	82.3	Confident	140 Å²	140	63.1 Å²	63.1	53%	0.528	32%	0.321	S	S	.	.			trans	-115.5	132.5	174.9	-75.7	179.5	-179.8	-173.6	3.8	110.3	S191 N199 R227	S191-R193 PolarHBondContact O-N 3.31Å; S191-R193 VanDerWaalsContact O-N 3.11Å; R193-N199 WeakPolarHBondContact CG-OD1 3.13Å; R193-N199 PolarHBondContact NE-OD1 3.36Å; R193-R227 PolarHBondContact O-NH1 3.17Å
194	D	75.1	Confident	82.4	Confident	64 Å²	64	61.6 Å²	61.6	34%	0.342	31%	0.312	S	S	.	.			trans	-67	175.3	173	-149.6	-9.6	0	0	0	111.9	K196 G197 V198 V200	D194-K196 PolarHBondContact O-N 3.42Å; D194-K196 VanDerWaalsContact O-N 3.16Å; D194-G197 PolarHBondContact O-N 2.97Å; D194-V198 PolarHBondContact N-O 3.03Å; D194-V198 VanDerWaalsContact N-O 3.1Å; D194-V200 HydrophobicContact CB-CG2 3.61Å
195	E	71.9	Confident	82.7	Confident	192 Å²	192	61.4 Å²	61.4	90%	0.897	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-31.4	173	-63	-175.3	171.2	0	0	112.3	G197	E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 2.65Å
196	K	72.2	Confident	82.8	Confident	188 Å²	188	67.8 Å²	67.8	82%	0.817	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	0.7	176.8	-61.6	-178.4	-178.2	177.5	0	114.1	D194 V198	D194-K196 PolarHBondContact O-N 3.42Å; D194-K196 VanDerWaalsContact O-N 3.16Å; K196-V198 VanDerWaalsContact C-N 3.27Å; K196-V198 PolarHBondContact O-N 3.25Å
197	G	75.2	Confident	82.9	Confident	40 Å²	40	69.6 Å²	69.6	41%	0.412	34%	0.343	S	S	.	.	S	Bend	trans	76.4	5.7	178.2	0	0	0	0	0	115.5	D194 E195	D194-G197 PolarHBondContact O-N 2.97Å; E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 2.65Å
198	V	79.4	Confident	83.1	Confident	76 Å²	76	69.4 Å²	69.4	46%	0.461	34%	0.339	S	S	.	.			trans	-88.2	140.3	177	-176.9	0	0	0	0	110.1	D194 K196 V200	D194-V198 PolarHBondContact N-O 3.03Å; D194-V198 VanDerWaalsContact N-O 3.1Å; K196-V198 VanDerWaalsContact C-N 3.27Å; K196-V198 PolarHBondContact O-N 3.25Å; V198-V200 PolarHBondContact O-N 2.92Å; V198-V200 VanDerWaalsContact O-N 3.13Å
199	N	81.3	Confident	83.3	Confident	39 Å²	39	70 Å²	70	21%	0.209	34%	0.343	C	S	.	.			trans	-75.4	96	174.4	-75.7	14.9	0	0	0	110.1	Q190 R193 Y201 L202 E203	Q190-N199 PolarHBondContact O-ND2 3.49Å; R193-N199 WeakPolarHBondContact CG-OD1 3.13Å; R193-N199 PolarHBondContact NE-OD1 3.36Å; N199-Y201 VanDerWaalsContact C-N 3.33Å; N199-Y201 PolarHBondContact O-N 3.39Å; N199-L202 HydrophobicContact CB-CB 4.08Å; N199-L202 PolarHBondContact O-N 2.97Å; N199-E203 PolarHBondContact O-N 3.35Å
200	V	84.4	Confident	83.4	Confident	24 Å²	24	76.1 Å²	76.1	15%	0.145	37%	0.371	C	S	.	.	H	α-helix	trans	-57	-43.5	-175	-176.3	0	0	0	0	112.3	Y192 D194 V198 E203 K204	Y192-V200 HydrophobicContact CD1-CB 4.39Å; Y192-V200 HydrophobicContact CD1-CG2 4.35Å; Y192-V200 HydrophobicContact CE1-CB 4.45Å; Y192-V200 HydrophobicContact CE1-CG2 4.1Å; D194-V200 HydrophobicContact CB-CG2 3.61Å; V198-V200 PolarHBondContact O-N 2.92Å; V198-V200 VanDerWaalsContact O-N 3.13Å; V200-E203 PolarHBondContact O-N 3.02Å; V200-K204 HydrophobicContact CG1-CD 4.05Å; V200-K204 HydrophobicContact CG1-CG 4.37Å; V200-K204 WeakPolarHBondContact O-CB 3.42Å; V200-K204 WeakPolarHBondContact O-CG 3.46Å; V200-K204 PolarHBondContact O-N 3.48Å
201	Y	86.3	Confident	83.7	Confident	1 Å²	1	73.7 Å²	73.7	0%	0.004	37%	0.369	C	S	.	.	H	α-helix	trans	-74.3	-33.9	-174.1	-68.2	-64.3	0	0	0	113.4	F188 L189 Y192 N199 E203 K204 I205 V218 S219 H222	F188-Y201 HydrophobicContact CD1-CE2 4.37Å; F188-Y201 HydrophobicContact CE1-CD2 4.05Å; F188-Y201 AromaticContact CE1-CE2 3.4Å; F188-Y201 HydrophobicContact CE1-CE2 3.4Å; F188-Y201 AromaticContact CE1-CZ 3.69Å; F188-Y201 HydrophobicContact CE2-CE2 4.15Å; F188-Y201 HydrophobicContact CZ-CD2 4.24Å; F188-Y201 AromaticContact CZ-CE2 3.28Å; F188-Y201 HydrophobicContact CZ-CE2 3.28Å; F188-Y201 AromaticContact CZ-CZ 3.66Å; L189-Y201 HydrophobicContact CD2-CD1 4.14Å; L189-Y201 HydrophobicContact CD2-CD2 4.31Å; L189-Y201 HydrophobicContact CD2-CG 3.83Å; Y192-Y201 AromaticContact CD1-CD2 3.85Å; Y192-Y201 HydrophobicContact CD1-CD2 3.85Å; Y192-Y201 AromaticContact CD1-CE2 3.52Å; Y192-Y201 HydrophobicContact CD1-CE2 3.52Å; Y192-Y201 HydrophobicContact CE1-CE2 4.18Å; Y192-Y201 HydrophobicContact CG-CD2 4.13Å; Y192-Y201 AromaticContact CG-CE2 3.79Å; Y192-Y201 HydrophobicContact CG-CE2 3.79Å; N199-Y201 VanDerWaalsContact C-N 3.33Å; N199-Y201 PolarHBondContact O-N 3.39Å; Y201-E203 VanDerWaalsContact C-N 3.33Å; Y201-K204 HydrophobicContact CD1-CD 4.22Å; Y201-K204 HydrophobicContact CE1-CD 4.45Å; Y201-K204 PolarHBondContact O-N 2.93Å; Y201-I205 WeakPolarHBondContact O-CB 3.02Å; Y201-I205 WeakPolarHBondContact O-CG1 3.36Å; Y201-I205 PolarHBondContact O-N 3.33Å; Y201-V218 HydrophobicContact CE1-CB 4.42Å; Y201-V218 HydrophobicContact CE1-CG1 4.29Å; Y201-V218 HydrophobicContact CE1-CG2 4.23Å; Y201-S219 PolarHBondContact OH-N 2.88Å; Y201-H222 HydrophobicContact CE2-CB 4.43Å; Y201-H222 AromaticContact CZ-ND1 3.74Å; Y201-H222 WeakPolarHBondContact OH-CB 3.49Å; Y201-H222 PolarHBondContact OH-ND1 3.25Å; Y201-H222 VanDerWaalsContact OH-ND1 3.09Å
202	L	86.7	Confident	83.9	Confident	88 Å²	88	75.3 Å²	75.3	46%	0.461	37%	0.373	S	S	.	.	H	α-helix	trans	-66.9	-40	176	-168.6	146.3	0	0	0	110.7	N199 R206 M258	N199-L202 HydrophobicContact CB-CB 4.08Å; N199-L202 PolarHBondContact O-N 2.97Å; L202-R206 WeakPolarHBondContact O-CB 3.33Å; L202-R206 PolarHBondContact O-N 3.3Å; L202-M258 HydrophobicContact CD1-SD 4.35Å; L202-M258 HydrophobicContact CG-SD 4.14Å
203	E	87.6	Confident	84.1	Confident	95 Å²	95	82.2 Å²	82.2	44%	0.444	40%	0.398	S	S	.	.	H	α-helix	trans	-66.7	-43.7	173.3	-168.8	176.8	175.1	0	0	111.9	N199 V200 Y201 I205 R206 Q207	N199-E203 PolarHBondContact O-N 3.35Å; V200-E203 PolarHBondContact O-N 3.02Å; Y201-E203 VanDerWaalsContact C-N 3.33Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 3.24Å; E203-R206 WeakPolarHBondContact O-CA 3.47Å; E203-R206 WeakPolarHBondContact O-CB 3.44Å; E203-R206 PolarHBondContact O-N 2.97Å; E203-R206 VanDerWaalsContact O-N 3.11Å; E203-Q207 WeakPolarHBondContact O-CG 3.47Å; E203-Q207 PolarHBondContact O-N 2.85Å; E203-Q207 PolarHBondContact OE1-NE2 2.99Å
204	K	87.3	Confident	84.5	Confident	64 Å²	64	77.7 Å²	77.7	28%	0.278	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-42.4	174.8	-79.6	-179.3	174.4	-176.5	0	112.4	V200 Y201 R206 Q207 M208 L216 V217	V200-K204 HydrophobicContact CG1-CD 4.05Å; V200-K204 HydrophobicContact CG1-CG 4.37Å; V200-K204 WeakPolarHBondContact O-CB 3.42Å; V200-K204 WeakPolarHBondContact O-CG 3.46Å; V200-K204 PolarHBondContact O-N 3.48Å; Y201-K204 HydrophobicContact CD1-CD 4.22Å; Y201-K204 HydrophobicContact CE1-CD 4.45Å; Y201-K204 PolarHBondContact O-N 2.93Å; K204-R206 VanDerWaalsContact C-N 3.32Å; K204-Q207 PolarHBondContact O-N 3.33Å; K204-M208 VanDerWaalsContact O-CB 3.28Å; K204-M208 WeakPolarHBondContact O-CB 3.41Å; K204-M208 PolarHBondContact O-N 3.11Å; K204-L216 HydrophobicContact CB-CD1 4.5Å; K204-V217 PolarHBondContact NZ-O 2.86Å
205	I	90.2	Very high	85.1	Confident	1 Å²	1	76.1 Å²	76.1	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-66.8	-38.3	176.8	-65.5	166	0	0	0	110.2	Y201 E203 M208 C209 L216 L254 V255 M258	Y201-I205 WeakPolarHBondContact O-CB 3.02Å; Y201-I205 WeakPolarHBondContact O-CG1 3.36Å; Y201-I205 PolarHBondContact O-N 3.33Å; E203-I205 VanDerWaalsContact C-N 3.33Å; E203-I205 PolarHBondContact O-N 3.24Å; I205-M208 HydrophobicContact CG2-CE 4.25Å; I205-M208 WeakPolarHBondContact O-CB 3.42Å; I205-M208 PolarHBondContact O-N 2.95Å; I205-C209 WeakPolarHBondContact O-CB 3.45Å; I205-C209 PolarHBondContact O-N 2.84Å; I205-C209 PolarHBondContact O-SG 3.45Å; I205-L216 HydrophobicContact CD1-CD1 4.44Å; I205-L216 HydrophobicContact CD1-CD2 4.16Å; I205-L216 HydrophobicContact CG1-CD1 3.57Å; I205-L216 HydrophobicContact CG1-CD2 4.07Å; I205-L216 HydrophobicContact CG1-CG 4.46Å; I205-L254 HydrophobicContact CD1-CD2 3.43Å; I205-L254 VanDerWaalsContact CD1-CD2 3.43Å; I205-V255 HydrophobicContact CG2-CG2 3.66Å; I205-M258 HydrophobicContact CB-CE 3.89Å; I205-M258 HydrophobicContact CD1-CE 4.29Å; I205-M258 HydrophobicContact CG2-CE 3.23Å
206	R	89.9	Confident	86	Confident	136 Å²	136	67.1 Å²	67.1	51%	0.513	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-45.7	173.5	-176.4	178.6	-177.6	169.8	2.5	111.9	L202 E203 K204 M208 C209 Q210	L202-R206 WeakPolarHBondContact O-CB 3.33Å; L202-R206 PolarHBondContact O-N 3.3Å; E203-R206 WeakPolarHBondContact O-CA 3.47Å; E203-R206 WeakPolarHBondContact O-CB 3.44Å; E203-R206 PolarHBondContact O-N 2.97Å; E203-R206 VanDerWaalsContact O-N 3.11Å; K204-R206 VanDerWaalsContact C-N 3.32Å; R206-M208 VanDerWaalsContact C-N 3.33Å; R206-C209 PolarHBondContact O-N 3.32Å; R206-Q210 WeakPolarHBondContact O-CB 3.48Å; R206-Q210 VanDerWaalsContact O-CG 3.28Å; R206-Q210 WeakPolarHBondContact O-CG 3.22Å; R206-Q210 PolarHBondContact O-N 2.86Å
207	Q	89	Confident	86.9	Confident	104 Å²	104	60.1 Å²	60.1	49%	0.486	31%	0.309	S	S	.	.	H	α-helix	trans	-63.3	-40.7	176.5	-69.7	176.3	7.4	0	0	111.4	E203 K204 Q210 A211	E203-Q207 WeakPolarHBondContact O-CG 3.47Å; E203-Q207 PolarHBondContact O-N 2.85Å; E203-Q207 PolarHBondContact OE1-NE2 2.99Å; K204-Q207 PolarHBondContact O-N 3.33Å; Q207-Q210 PolarHBondContact O-N 2.75Å; Q207-A211 WeakPolarHBondContact O-CB 3.45Å; Q207-A211 PolarHBondContact O-N 3.37Å
208	M	89.2	Confident	87.6	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-50.2	174.8	-179	-167	87.4	0	0	111.3	K204 I205 R206 Q210 A211 N212 R213 L216 V255 V269	K204-M208 VanDerWaalsContact O-CB 3.28Å; K204-M208 WeakPolarHBondContact O-CB 3.41Å; K204-M208 PolarHBondContact O-N 3.11Å; I205-M208 HydrophobicContact CG2-CE 4.25Å; I205-M208 WeakPolarHBondContact O-CB 3.42Å; I205-M208 PolarHBondContact O-N 2.95Å; R206-M208 VanDerWaalsContact C-N 3.33Å; M208-Q210 PolarHBondContact O-N 2.76Å; M208-A211 CarbonylContact O-C 3.54Å; M208-A211 PolarHBondContact O-N 2.97Å; M208-N212 PolarHBondContact O-N 2.93Å; M208-N212 VanDerWaalsContact O-N 3.12Å; M208-R213 HydrophobicContact CG-CB 4.14Å; M208-R213 WeakPolarHBondContact CG-O 3.47Å; M208-R213 PolarHBondContact O-N 3.17Å; M208-L216 HydrophobicContact SD-CB 3.97Å; M208-L216 HydrophobicContact SD-CD1 4.49Å; M208-V255 HydrophobicContact CE-CG2 3.75Å; M208-V269 HydrophobicContact CE-CG1 4.05Å; M208-V269 HydrophobicContact CE-CG2 4.22Å; M208-V269 HydrophobicContact SD-CG1 4.08Å
209	C	89.4	Confident	88	Confident	14 Å²	14	55 Å²	55	10%	0.095	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-36	178.3	-66.3	0	0	0	0	112.6	I205 R206 A211 N212 Y259 Y262	I205-C209 WeakPolarHBondContact O-CB 3.45Å; I205-C209 PolarHBondContact O-N 2.84Å; I205-C209 PolarHBondContact O-SG 3.45Å; R206-C209 PolarHBondContact O-N 3.32Å; C209-A211 VanDerWaalsContact C-N 3.29Å; C209-A211 PolarHBondContact O-N 2.8Å; C209-N212 PolarHBondContact O-N 3.32Å; C209-N212 PolarHBondContact O-OD1 3.16Å; C209-Y259 HydrophobicContact CB-CD2 4.23Å; C209-Y259 HydrophobicContact CB-CE2 4.21Å; C209-Y262 HydrophobicContact CB-CD2 4.43Å; C209-Y262 HydrophobicContact CB-CE2 4.36Å
210	Q	89.7	Confident	88.3	Confident	131 Å²	131	54 Å²	54	61%	0.612	26%	0.263	S	S	*	.	H	α-helix	trans	-66.1	-33.1	175.6	-77.4	175.2	-19.9	0	0	112.4	R206 Q207 M208	R206-Q210 WeakPolarHBondContact O-CB 3.48Å; R206-Q210 VanDerWaalsContact O-CG 3.28Å; R206-Q210 WeakPolarHBondContact O-CG 3.22Å; R206-Q210 PolarHBondContact O-N 2.86Å; Q207-Q210 PolarHBondContact O-N 2.75Å; M208-Q210 PolarHBondContact O-N 2.76Å
211	A	88.4	Confident	88.4	Confident	54 Å²	54	58.9 Å²	58.9	45%	0.446	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.5	177.9	0	0	0	0	0	113.6	Q207 M208 C209 R213	Q207-A211 WeakPolarHBondContact O-CB 3.45Å; Q207-A211 PolarHBondContact O-N 3.37Å; M208-A211 CarbonylContact O-C 3.54Å; M208-A211 PolarHBondContact O-N 2.97Å; C209-A211 VanDerWaalsContact C-N 3.29Å; C209-A211 PolarHBondContact O-N 2.8Å; A211-R213 HydrophobicContact CB-CG 4Å; A211-R213 PolarHBondContact O-N 3Å
212	N	87.1	Confident	88.4	Confident	103 Å²	103	60.8 Å²	60.8	55%	0.551	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	36	-174.4	-59.6	-28.2	0	0	0	113.7	M208 C209 I265	M208-N212 PolarHBondContact O-N 2.93Å; M208-N212 VanDerWaalsContact O-N 3.12Å; C209-N212 PolarHBondContact O-N 3.32Å; C209-N212 PolarHBondContact O-OD1 3.16Å; N212-I265 HydrophobicContact CB-CG2 4.12Å
213	R	86	Confident	88.3	Confident	162 Å²	162	56.8 Å²	56.8	61%	0.611	27%	0.27	S	S	*	.			trans	-92.4	143.2	178.6	-67.3	-175.7	-178.9	-179.4	-0.4	110.6	M208 A211 Y262	M208-R213 HydrophobicContact CG-CB 4.14Å; M208-R213 WeakPolarHBondContact CG-O 3.47Å; M208-R213 PolarHBondContact O-N 3.17Å; A211-R213 HydrophobicContact CB-CG 4Å; A211-R213 PolarHBondContact O-N 3Å; R213-Y262 PolarHBondContact O-OH 3.15Å
214	E	88.3	Confident	88.1	Confident	46 Å²	46	54.4 Å²	54.4	22%	0.215	27%	0.267	C	S	.	.			trans	-92.1	4.9	175.9	59.3	178.2	-165	0	0	114.2	A266 V269 H270 D389	E214-A266 HydrophobicContact CB-CB 4.19Å; E214-V269 CarbonylContact O-C 3.34Å; E214-V269 WeakPolarHBondContact O-CA 3.44Å; E214-V269 WeakPolarHBondContact O-CG1 3.47Å; E214-H270 PolarHBondContact O-N 3.23Å; E214-D389 HydrophobicContact CG-CB 4.02Å; E214-D389 WeakPolarHBondContact OE1-CB 3.31Å
215	S	88.5	Confident	87.7	Confident	31 Å²	31	54.2 Å²	54.2	22%	0.217	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.1	-173.1	69.1	0	0	0	0	112.6	H270 D389	S215-H270 WeakPolarHBondContact CA-O 3.28Å; S215-D389 WeakPolarHBondContact CB-OD2 3.43Å
216	L	91.1	Very high	86.4	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.2	174	179.3	59.9	0	0	0	111	L189 K204 I205 M208 V218 A251 V269 H270 V271 R272	L189-L216 HydrophobicContact CD2-CD2 4.46Å; K204-L216 HydrophobicContact CB-CD1 4.5Å; I205-L216 HydrophobicContact CD1-CD1 4.44Å; I205-L216 HydrophobicContact CD1-CD2 4.16Å; I205-L216 HydrophobicContact CG1-CD1 3.57Å; I205-L216 HydrophobicContact CG1-CD2 4.07Å; I205-L216 HydrophobicContact CG1-CG 4.46Å; M208-L216 HydrophobicContact SD-CB 3.97Å; M208-L216 HydrophobicContact SD-CD1 4.49Å; L216-V218 HydrophobicContact CG-CG2 4.36Å; L216-A251 HydrophobicContact CD2-CB 4.04Å; L216-V269 HydrophobicContact CB-CG1 4.2Å; L216-H270 PolarHBondContact N-O 2.57Å; L216-V271 CarbonylContact O-C 3.58Å; L216-V271 WeakPolarHBondContact O-CA 3.44Å; L216-R272 PolarHBondContact O-N 3.44Å
217	V	90.9	Very high	84.9	Confident	42 Å²	42	65 Å²	65	26%	0.255	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.2	-179.3	-174.4	0	0	0	0	112	K204 R272 A274 Y431	K204-V217 PolarHBondContact NZ-O 2.86Å; V217-R272 CarbonylContact C-O 3.55Å; V217-R272 WeakPolarHBondContact CA-O 3.37Å; V217-R272 HydrophobicContact CG2-CB 4.23Å; V217-A274 HydrophobicContact CG1-CB 3.8Å; V217-Y431 HydrophobicContact CG1-CE2 4.36Å; V217-Y431 HydrophobicContact CG2-CE2 4.04Å
218	V	89.8	Confident	83.6	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.4	177.6	179.4	0	0	0	0	110.2	F185 F188 Y201 L216 L223 V271 R272 I273 A274	F185-V218 HydrophobicContact CE2-CG2 4.4Å; F185-V218 HydrophobicContact CZ-CG2 4.29Å; F188-V218 HydrophobicContact CE1-CG1 4.08Å; Y201-V218 HydrophobicContact CE1-CB 4.42Å; Y201-V218 HydrophobicContact CE1-CG1 4.29Å; Y201-V218 HydrophobicContact CE1-CG2 4.23Å; L216-V218 HydrophobicContact CG-CG2 4.36Å; V218-L223 HydrophobicContact CG1-CD1 3.82Å; V218-L223 HydrophobicContact CG1-CD2 4.49Å; V218-L223 HydrophobicContact CG1-CG 4.02Å; V218-V271 HydrophobicContact CB-CG1 4.21Å; V218-V271 HydrophobicContact CG2-CG1 3.62Å; V218-R272 PolarHBondContact N-O 3.31Å; V218-I273 WeakPolarHBondContact O-CA 3.27Å; V218-A274 PolarHBondContact O-N 3.41Å
219	S	87.6	Confident	82.8	Confident	5 Å²	5	62.7 Å²	62.7	4%	0.035	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	128.5	175.9	177.8	0	0	0	0	110.1	Y201 K221 H222 L223	Y201-S219 PolarHBondContact OH-N 2.88Å; S219-K221 VanDerWaalsContact C-N 3.26Å; S219-K221 PolarHBondContact O-N 2.81Å; S219-K221 PolarHBondContact OG-N 3.26Å; S219-H222 WeakPolarHBondContact O-CB 3.47Å; S219-H222 PolarHBondContact O-N 2.93Å; S219-L223 PolarHBondContact O-N 2.81Å
220	F	88.1	Confident	82.2	Confident	19 Å²	19	68 Å²	68	8%	0.083	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-31.8	177.2	-172.8	-88.4	0	0	0	112	H222 L223 A224 A233 L236 P237 I273 A274 P277	F220-H222 VanDerWaalsContact C-N 3.27Å; F220-H222 PolarHBondContact O-N 3.45Å; F220-L223 WeakPolarHBondContact O-CB 3.35Å; F220-L223 PolarHBondContact O-N 3.34Å; F220-L223 VanDerWaalsContact O-N 3.15Å; F220-A224 HydrophobicContact CE1-CB 4.35Å; F220-A224 PolarHBondContact O-N 2.95Å; F220-A233 HydrophobicContact CE2-CB 4.28Å; F220-A233 WeakPolarHBondContact CE2-O 3.48Å; F220-A233 HydrophobicContact CZ-CB 4.04Å; F220-A233 VanDerWaalsContact CZ-O 3.3Å; F220-A233 WeakPolarHBondContact CZ-O 3.5Å; F220-L236 HydrophobicContact CD2-CD2 3.99Å; F220-L236 HydrophobicContact CE2-CD2 4.15Å; F220-P237 HydrophobicContact CE2-CG 4.09Å; F220-P237 HydrophobicContact CZ-CG 4.3Å; F220-I273 HydrophobicContact CB-CG2 4.23Å; F220-I273 HydrophobicContact CD2-CG2 4.41Å; F220-A274 WeakPolarHBondContact CB-O 3.23Å; F220-A274 PolarHBondContact N-O 2.96Å; F220-P277 VanDerWaalsContact CD1-CD 3.44Å; F220-P277 HydrophobicContact CD1-CG 4.24Å; F220-P277 HydrophobicContact CE1-CG 3.92Å
221	K	85.9	Confident	81.7	Confident	127 Å²	127	64.8 Å²	64.8	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-60.8	-37.7	175.6	-65.8	-177.5	-173.8	151.4	0	112.3	S219 L223 A224 T225 E275	S219-K221 VanDerWaalsContact C-N 3.26Å; S219-K221 PolarHBondContact O-N 2.81Å; S219-K221 PolarHBondContact OG-N 3.26Å; K221-L223 VanDerWaalsContact C-N 3.33Å; K221-A224 PolarHBondContact O-N 3.14Å; K221-T225 PolarHBondContact O-N 3.07Å; K221-T225 PolarHBondContact O-OG1 3.26Å; K221-E275 VanDerWaalsContact CD-OE2 3.25Å; K221-E275 WeakPolarHBondContact CD-OE2 3.01Å; K221-E275 WeakPolarHBondContact CE-OE2 3.3Å; K221-E275 IonicContact NZ-OE2 3.89Å; K221-E275 PolarHBondContact NZ-OE2 3.41Å
222	H	85.9	Confident	81.4	Confident	41 Å²	41	62.2 Å²	62.2	19%	0.19	30%	0.302	C	S	.	.	H	α-helix	trans	-68.6	-36.4	178.3	-63.1	-173	0	0	0	111.1	F188 Y192 Y201 S219 F220 A224	F188-H222 HydrophobicContact CE2-CB 4.43Å; F188-H222 HydrophobicContact CZ-CB 4.01Å; Y192-H222 HydrophobicContact CD2-CB 4.37Å; Y192-H222 HydrophobicContact CE1-CB 4.09Å; Y192-H222 AromaticContact CE1-CE1 3.89Å; Y192-H222 AromaticContact CE1-CG 3.74Å; Y192-H222 AromaticContact CE1-ND1 3.37Å; Y192-H222 WeakPolarHBondContact CE1-ND1 3.35Å; Y192-H222 HydrophobicContact CE2-CB 3.71Å; Y192-H222 AromaticContact CZ-CD2 3.9Å; Y192-H222 AromaticContact CZ-CG 3.41Å; Y192-H222 VanDerWaalsContact CZ-CG 3.41Å; Y192-H222 AromaticContact CZ-ND1 3.57Å; Y192-H222 PolarHBondContact OH-CD2 3.19Å; Y201-H222 HydrophobicContact CE2-CB 4.43Å; Y201-H222 AromaticContact CZ-ND1 3.74Å; Y201-H222 WeakPolarHBondContact OH-CB 3.49Å; Y201-H222 PolarHBondContact OH-ND1 3.25Å; Y201-H222 VanDerWaalsContact OH-ND1 3.09Å; S219-H222 WeakPolarHBondContact O-CB 3.47Å; S219-H222 PolarHBondContact O-N 2.93Å; F220-H222 VanDerWaalsContact C-N 3.27Å; F220-H222 PolarHBondContact O-N 3.45Å; H222-A224 VanDerWaalsContact C-N 3.34Å
223	L	84	Confident	81.3	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-35.7	173.8	-72	173.6	0	0	0	112.3	F188 V218 S219 F220 K221 T225 G228 L232 A233 L236	F188-L223 HydrophobicContact CD1-CD2 3.62Å; F188-L223 HydrophobicContact CD2-CD2 4.03Å; F188-L223 HydrophobicContact CE1-CD2 3.36Å; F188-L223 HydrophobicContact CE1-CG 4.06Å; F188-L223 HydrophobicContact CE2-CD2 3.79Å; F188-L223 HydrophobicContact CE2-CG 4.43Å; F188-L223 HydrophobicContact CG-CD2 3.93Å; F188-L223 HydrophobicContact CZ-CD2 3.42Å; F188-L223 VanDerWaalsContact CZ-CD2 3.42Å; F188-L223 HydrophobicContact CZ-CG 3.86Å; V218-L223 HydrophobicContact CG1-CD1 3.82Å; V218-L223 HydrophobicContact CG1-CD2 4.49Å; V218-L223 HydrophobicContact CG1-CG 4.02Å; S219-L223 PolarHBondContact O-N 2.81Å; F220-L223 WeakPolarHBondContact O-CB 3.35Å; F220-L223 PolarHBondContact O-N 3.34Å; F220-L223 VanDerWaalsContact O-N 3.15Å; K221-L223 VanDerWaalsContact C-N 3.33Å; L223-T225 VanDerWaalsContact C-N 3.35Å; L223-G228 CarbonylContact O-C 3.52Å; L223-L232 HydrophobicContact CD2-CD2 3.9Å; L223-A233 HydrophobicContact CB-CB 4.37Å; L223-L236 HydrophobicContact CD1-CD2 4.25Å
224	A	84.3	Confident	81.2	Confident	45 Å²	45	54.2 Å²	54.2	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-81.2	-8.1	-178.5	0	0	0	0	0	114.7	F220 K221 H222 A233	F220-A224 HydrophobicContact CE1-CB 4.35Å; F220-A224 PolarHBondContact O-N 2.95Å; K221-A224 PolarHBondContact O-N 3.14Å; H222-A224 VanDerWaalsContact C-N 3.34Å; A224-A233 HydrophobicContact CB-CB 4.5Å
225	T	79.2	Confident	81	Confident	61 Å²	61	52.1 Å²	52.1	37%	0.374	26%	0.257	S	S	.	.	S	Bend	trans	-73.6	156.4	178.7	-54.9	0	0	0	0	110.4	K221 L223 R227 G228	K221-T225 PolarHBondContact O-N 3.07Å; K221-T225 PolarHBondContact O-OG1 3.26Å; L223-T225 VanDerWaalsContact C-N 3.35Å; T225-R227 PolarHBondContact O-N 3.37Å; T225-R227 VanDerWaalsContact O-N 3.07Å; T225-G228 CarbonylContact O-C 3.55Å; T225-G228 VanDerWaalsContact O-CA 3.29Å; T225-G228 WeakPolarHBondContact O-CA 3.46Å; T225-G228 PolarHBondContact O-N 3.41Å
226	E	62	Low	80.9	Confident	199 Å²	199	50.6 Å²	50.6	93%	0.93	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-23.1	176.7	-64.3	-179	175	0	0	114.4	G228	E226-G228 VanDerWaalsContact C-N 3.31Å
227	R	58.5	Low	80.8	Confident	163 Å²	163	52.2 Å²	52.2	62%	0.615	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-11.2	173.2	-62.2	-176.4	-178.8	176.6	1.7	113.2	R193 T225	R193-R227 PolarHBondContact O-NH1 3.17Å; T225-R227 PolarHBondContact O-N 3.37Å; T225-R227 VanDerWaalsContact O-N 3.07Å
228	G	62.4	Low	80.5	Confident	9 Å²	9	53.3 Å²	53.3	9%	0.093	26%	0.259	C	S	.	.	S	Bend	trans	-97.4	170.1	175.3	0	0	0	0	0	111.3	L223 T225 E226 L230	L223-G228 CarbonylContact O-C 3.52Å; T225-G228 CarbonylContact O-C 3.55Å; T225-G228 VanDerWaalsContact O-CA 3.29Å; T225-G228 WeakPolarHBondContact O-CA 3.46Å; T225-G228 PolarHBondContact O-N 3.41Å; E226-G228 VanDerWaalsContact C-N 3.31Å; G228-L230 PolarHBondContact O-N 3.34Å
229	E	71.8	Confident	80.3	Confident	58 Å²	58	56.2 Å²	56.2	27%	0.271	27%	0.27	S	S	.	.			trans	-88.4	92.1	-178.1	-61.4	-68.3	-179.8	0	0	109.2	L184 F188 E231 L232 A233	L184-E229 HydrophobicContact CB-CB 4.42Å; L184-E229 HydrophobicContact CB-CG 3.99Å; L184-E229 HydrophobicContact CD2-CG 4.24Å; L184-E229 WeakPolarHBondContact CD2-OE2 3.42Å; F188-E229 HydrophobicContact CB-CG 4.32Å; E229-E231 PolarHBondContact O-N 2.95Å; E229-L232 HydrophobicContact CB-CB 4.11Å; E229-L232 WeakPolarHBondContact O-CB 3.3Å; E229-L232 PolarHBondContact O-N 3.5Å; E229-A233 PolarHBondContact O-N 3.15Å
230	L	77.4	Confident	80.4	Confident	124 Å²	124	56 Å²	56	65%	0.649	27%	0.269	S	S	*	.	H	α-helix	trans	-55.4	-33.9	-179.3	-174.2	68.6	0	0	0	112.3	G228 L232 A233 Y234	G228-L230 PolarHBondContact O-N 3.34Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 3.45Å; L230-A233 PolarHBondContact O-N 3.49Å; L230-Y234 PolarHBondContact O-N 2.95Å; L230-Y234 VanDerWaalsContact O-N 3.11Å
231	E	78.5	Confident	80.3	Confident	64 Å²	64	59.2 Å²	59.2	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-57.7	-46.9	174.9	-64.9	-178.6	-175.2	0	0	111.2	E229 A233 Y234 I235	E229-E231 PolarHBondContact O-N 2.95Å; E231-A233 VanDerWaalsContact C-N 3.32Å; E231-A233 PolarHBondContact O-N 3.42Å; E231-Y234 PolarHBondContact O-N 3.36Å; E231-I235 VanDerWaalsContact O-CD1 3.25Å; E231-I235 WeakPolarHBondContact O-CD1 3.48Å; E231-I235 VanDerWaalsContact O-CG1 3.23Å; E231-I235 WeakPolarHBondContact O-CG1 3.17Å; E231-I235 PolarHBondContact O-N 2.84Å; E231-I235 VanDerWaalsContact O-N 3.16Å
232	L	82.3	Confident	80.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.3	-40.3	178.6	-169.3	73.9	0	0	0	110.9	I181 F185 L223 E229 L230 Y234 I235 L236 V243 L247	I181-L232 HydrophobicContact CG2-CD1 3.79Å; F185-L232 HydrophobicContact CB-CD2 4.41Å; F185-L232 HydrophobicContact CD2-CD2 3.94Å; L223-L232 HydrophobicContact CD2-CD2 3.9Å; E229-L232 HydrophobicContact CB-CB 4.11Å; E229-L232 WeakPolarHBondContact O-CB 3.3Å; E229-L232 PolarHBondContact O-N 3.5Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 3.45Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.33Å; L232-I235 PolarHBondContact O-N 2.63Å; L232-L236 VanDerWaalsContact O-CB 3.24Å; L232-L236 WeakPolarHBondContact O-CB 3.43Å; L232-L236 PolarHBondContact O-N 2.93Å; L232-V243 HydrophobicContact CD1-CG1 4.1Å; L232-L247 HydrophobicContact CD1-CD2 4.42Å; L232-L247 HydrophobicContact CD2-CD2 4.18Å
233	A	84	Confident	80.4	Confident	7 Å²	7	54.1 Å²	54.1	6%	0.058	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-32	179.3	0	0	0	0	0	112.9	F220 L223 A224 E229 L230 E231 P237	F220-A233 HydrophobicContact CE2-CB 4.28Å; F220-A233 WeakPolarHBondContact CE2-O 3.48Å; F220-A233 HydrophobicContact CZ-CB 4.04Å; F220-A233 VanDerWaalsContact CZ-O 3.3Å; F220-A233 WeakPolarHBondContact CZ-O 3.5Å; L223-A233 HydrophobicContact CB-CB 4.37Å; A224-A233 HydrophobicContact CB-CB 4.5Å; E229-A233 PolarHBondContact O-N 3.15Å; L230-A233 PolarHBondContact O-N 3.49Å; E231-A233 VanDerWaalsContact C-N 3.32Å; E231-A233 PolarHBondContact O-N 3.42Å; A233-P237 WeakPolarHBondContact O-CD 3.38Å
234	Y	84.4	Confident	80.7	Confident	91 Å²	91	54.8 Å²	54.8	36%	0.357	27%	0.269	S	S	.	.	H	α-helix	trans	-77.3	-39.4	175.5	-175.4	-79.6	0	0	0	112.5	L160 R164 L230 E231 L232 P237 E238	L160-Y234 HydrophobicContact CD2-CD1 3.03Å; L160-Y234 HydrophobicContact CD2-CD2 4.19Å; L160-Y234 HydrophobicContact CD2-CE1 3.3Å; L160-Y234 HydrophobicContact CD2-CE2 4.38Å; L160-Y234 HydrophobicContact CD2-CG 3.54Å; L160-Y234 HydrophobicContact CG-CD1 4.4Å; R164-Y234 PolarHBondContact NH2-OH 3.05Å; L230-Y234 PolarHBondContact O-N 2.95Å; L230-Y234 VanDerWaalsContact O-N 3.11Å; E231-Y234 PolarHBondContact O-N 3.36Å; L232-Y234 VanDerWaalsContact C-N 3.27Å; L232-Y234 PolarHBondContact O-N 3.33Å; Y234-P237 WeakPolarHBondContact O-CD 3.44Å; Y234-E238 VanDerWaalsContact CE1-CD 3.47Å; Y234-E238 HydrophobicContact CE1-CG 4.47Å; Y234-E238 WeakPolarHBondContact CE1-OE1 3.03Å; Y234-E238 PolarHBondContact OH-OE1 3.35Å
235	I	84.8	Confident	80.9	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-76.1	-35.2	-174.3	-61.3	158.4	0	0	0	111.4	L159 F163 E231 L232 E238 Y239 V243	L159-I235 HydrophobicContact CB-CD1 3.4Å; L159-I235 VanDerWaalsContact CB-CD1 3.4Å; L159-I235 HydrophobicContact CD1-CD1 3.75Å; L159-I235 HydrophobicContact CG-CD1 4.17Å; F163-I235 HydrophobicContact CD2-CD1 4.13Å; F163-I235 HydrophobicContact CD2-CG1 4.12Å; F163-I235 HydrophobicContact CD2-CG2 3.73Å; F163-I235 HydrophobicContact CE2-CD1 4.14Å; F163-I235 HydrophobicContact CE2-CG1 4.45Å; F163-I235 HydrophobicContact CE2-CG2 3.61Å; F163-I235 HydrophobicContact CG-CG2 4.37Å; F163-I235 HydrophobicContact CZ-CG2 4.13Å; E231-I235 VanDerWaalsContact O-CD1 3.25Å; E231-I235 WeakPolarHBondContact O-CD1 3.48Å; E231-I235 VanDerWaalsContact O-CG1 3.23Å; E231-I235 WeakPolarHBondContact O-CG1 3.17Å; E231-I235 PolarHBondContact O-N 2.84Å; E231-I235 VanDerWaalsContact O-N 3.16Å; L232-I235 PolarHBondContact O-N 2.63Å; I235-E238 PolarHBondContact O-N 3.32Å; I235-Y239 PolarHBondContact O-N 3.27Å; I235-V243 HydrophobicContact CG2-CG2 3.78Å
236	L	87	Confident	81.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-55.3	-43.1	-174.2	-170	76.4	0	0	0	114	F220 L223 L232 V243 L247 I273	F220-L236 HydrophobicContact CD2-CD2 3.99Å; F220-L236 HydrophobicContact CE2-CD2 4.15Å; L223-L236 HydrophobicContact CD1-CD2 4.25Å; L232-L236 VanDerWaalsContact O-CB 3.24Å; L232-L236 WeakPolarHBondContact O-CB 3.43Å; L232-L236 PolarHBondContact O-N 2.93Å; L236-V243 HydrophobicContact CD1-CB 4.23Å; L236-V243 HydrophobicContact CD1-CG1 3.51Å; L236-L247 HydrophobicContact CD1-CD1 3.73Å; L236-I273 HydrophobicContact CD1-CD1 3.82Å; L236-I273 HydrophobicContact CD2-CD1 3.46Å; L236-I273 VanDerWaalsContact CD2-CD1 3.46Å; L236-I273 HydrophobicContact CD2-CG1 4.06Å; L236-I273 HydrophobicContact CD2-CG2 4.19Å; L236-I273 HydrophobicContact CG-CD1 3.7Å
237	P	87.3	Confident	82.9	Confident	36 Å²	36	44 Å²	44	23%	0.234	21%	0.213	C	C	.	.	H	α-helix	trans	-76.2	-29.3	179	-17.9	34.9	0	0	0	114.3	F220 A233 Y234 N292 L293	F220-P237 HydrophobicContact CE2-CG 4.09Å; F220-P237 HydrophobicContact CZ-CG 4.3Å; A233-P237 WeakPolarHBondContact O-CD 3.38Å; Y234-P237 WeakPolarHBondContact O-CD 3.44Å; P237-N292 WeakPolarHBondContact O-CA 3.46Å; P237-L293 PolarHBondContact O-N 2.81Å
238	E	85.3	Confident	84.5	Confident	65 Å²	65	38 Å²	38	30%	0.304	19%	0.193	S	C	.	.	H	α-helix	trans	-79.6	-36.6	-179.2	-69.6	-169.8	173.6	0	0	112.5	Y234 I235 N292	Y234-E238 VanDerWaalsContact CE1-CD 3.47Å; Y234-E238 HydrophobicContact CE1-CG 4.47Å; Y234-E238 WeakPolarHBondContact CE1-OE1 3.03Å; Y234-E238 PolarHBondContact OH-OE1 3.35Å; I235-E238 PolarHBondContact O-N 3.32Å; E238-N292 PolarHBondContact O-OD1 2.92Å
239	Y	85.9	Confident	85.8	Confident	62 Å²	62	44.6 Å²	44.6	24%	0.243	22%	0.219	C	C	.	.			trans	-134	63.1	-176.7	-59	-77.6	0	0	0	112.7	F163 R166 I235 D241 V243	F163-Y239 HydrophobicContact CB-CD2 4.04Å; F163-Y239 HydrophobicContact CB-CE2 3.65Å; F163-Y239 AromaticContact CD1-CD2 3.78Å; F163-Y239 HydrophobicContact CD1-CD2 3.78Å; F163-Y239 HydrophobicContact CD1-CE2 4.06Å; F163-Y239 HydrophobicContact CD1-CG 4.1Å; F163-Y239 HydrophobicContact CG-CD2 4Å; F163-Y239 HydrophobicContact CG-CE2 4.12Å; F163-Y239 PolarHBondContact O-OH 3.42Å; R166-Y239 VanDerWaalsContact CZ-CD1 3.42Å; I235-Y239 PolarHBondContact O-N 3.27Å; Y239-D241 VanDerWaalsContact C-N 3.35Å; Y239-D241 PolarHBondContact O-N 3.27Å; Y239-V243 VanDerWaalsContact O-CG2 3.23Å; Y239-V243 WeakPolarHBondContact O-CG2 3.46Å; Y239-V243 PolarHBondContact O-N 2.86Å
240	P	89.3	Confident	86.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-65.7	-34.1	-177.3	27.2	-35.4	0	0	0	113.5	E242 V243 L244 N291 L293 I405	P240-E242 VanDerWaalsContact C-N 3.3Å; P240-E242 PolarHBondContact O-N 2.96Å; P240-V243 PolarHBondContact O-N 3.44Å; P240-L244 HydrophobicContact CB-CD1 4.19Å; P240-L244 VanDerWaalsContact O-CB 3.3Å; P240-L244 WeakPolarHBondContact O-CB 3.2Å; P240-L244 VanDerWaalsContact O-CG 3.32Å; P240-L244 WeakPolarHBondContact O-CG 3.46Å; P240-L244 PolarHBondContact O-N 2.9Å; P240-N291 WeakPolarHBondContact CD-O 3.28Å; P240-N291 WeakPolarHBondContact CG-O 3.49Å; P240-L293 HydrophobicContact CB-CB 4.24Å; P240-L293 HydrophobicContact CB-CD1 4.42Å; P240-L293 HydrophobicContact CG-CB 4.31Å; P240-I405 HydrophobicContact CB-CD1 3.81Å; P240-I405 HydrophobicContact CB-CG1 3.98Å; P240-I405 HydrophobicContact CG-CD1 3.95Å; P240-I405 HydrophobicContact CG-CG1 3.92Å; P240-I405 HydrophobicContact CG-CG2 4.01Å
241	D	85.8	Confident	87.4	Confident	86 Å²	86	36.3 Å²	36.3	46%	0.46	18%	0.178	S	C	.	.	H	α-helix	trans	-61.8	-34.7	-175.3	-68.2	-30.3	0	0	0	113.3	Y239 P245 I405	Y239-D241 VanDerWaalsContact C-N 3.35Å; Y239-D241 PolarHBondContact O-N 3.27Å; D241-P245 WeakPolarHBondContact O-CD 3.46Å; D241-P245 WeakPolarHBondContact O-CG 3.49Å; D241-I405 WeakPolarHBondContact OD1-CD1 3.42Å
242	E	85	Confident	87.9	Confident	62 Å²	62	34.3 Å²	34.3	29%	0.29	17%	0.169	S	C	.	.	H	α-helix	trans	-90.5	-36.1	179.7	-72.2	174.6	-147.8	0	0	111.9	R166 P240 V246	R166-E242 IonicContact CZ-OE1 3.99Å; R166-E242 IonicContact CZ-OE2 2.7Å; R166-E242 IonicContact NH1-OE1 2.7Å; R166-E242 PolarHBondContact NH1-OE1 3.43Å; R166-E242 IonicContact NH1-OE2 2.76Å; R166-E242 IonicContact NH2-OE1 3.12Å; R166-E242 PolarHBondContact NH2-OE1 3.49Å; R166-E242 IonicContact NH2-OE2 2.84Å; R166-E242 PolarHBondContact NH2-OE2 3.4Å; P240-E242 VanDerWaalsContact C-N 3.3Å; P240-E242 PolarHBondContact O-N 2.96Å; E242-V246 WeakPolarHBondContact O-CG2 3.34Å
243	V	88.9	Confident	88.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.5	-44.4	-175.7	178.7	0	0	0	0	111.2	I181 L232 I235 L236 Y239 P240 V246 L247	I181-V243 HydrophobicContact CD1-CG2 4.43Å; I181-V243 HydrophobicContact CG2-CG1 4.42Å; L232-V243 HydrophobicContact CD1-CG1 4.1Å; I235-V243 HydrophobicContact CG2-CG2 3.78Å; L236-V243 HydrophobicContact CD1-CB 4.23Å; L236-V243 HydrophobicContact CD1-CG1 3.51Å; Y239-V243 VanDerWaalsContact O-CG2 3.23Å; Y239-V243 WeakPolarHBondContact O-CG2 3.46Å; Y239-V243 PolarHBondContact O-N 2.86Å; P240-V243 PolarHBondContact O-N 3.44Å; V243-V246 WeakPolarHBondContact O-CB 3.35Å; V243-V246 PolarHBondContact O-N 2.99Å; V243-V246 VanDerWaalsContact O-N 3.07Å; V243-L247 HydrophobicContact CG1-CD1 3.9Å; V243-L247 HydrophobicContact CG1-CD2 4.5Å; V243-L247 HydrophobicContact CG1-CG 3.98Å; V243-L247 WeakPolarHBondContact O-CG 3.4Å; V243-L247 PolarHBondContact O-N 3.44Å
244	L	90.4	Very high	88.5	Confident	16 Å²	16	38.9 Å²	38.9	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-45.7	-176.4	-74.1	171.5	0	0	0	113.4	P240 V246 L247 N248 I273 I405 N430	P240-L244 HydrophobicContact CB-CD1 4.19Å; P240-L244 VanDerWaalsContact O-CB 3.3Å; P240-L244 WeakPolarHBondContact O-CB 3.2Å; P240-L244 VanDerWaalsContact O-CG 3.32Å; P240-L244 WeakPolarHBondContact O-CG 3.46Å; P240-L244 PolarHBondContact O-N 2.9Å; L244-V246 VanDerWaalsContact C-N 3.28Å; L244-V246 PolarHBondContact O-N 3.36Å; L244-L247 HydrophobicContact CD2-CD1 4.41Å; L244-L247 PolarHBondContact O-N 2.91Å; L244-N248 PolarHBondContact O-N 2.92Å; L244-N248 PolarHBondContact O-OD1 2.88Å; L244-I273 HydrophobicContact CD2-CD1 3.73Å; L244-I273 HydrophobicContact CD2-CG1 4.29Å; L244-I405 HydrophobicContact CD1-CD1 4.04Å; L244-N430 WeakPolarHBondContact CD2-ND2 3.38Å
245	P	89.9	Confident	88.8	Confident	61 Å²	61	34.5 Å²	34.5	40%	0.396	18%	0.175	S	C	.	.	H	α-helix	trans	-60.5	-35	174.6	-25.6	35.4	0	0	0	113.6	D241 K249	D241-P245 WeakPolarHBondContact O-CD 3.46Å; D241-P245 WeakPolarHBondContact O-CG 3.49Å; P245-K249 WeakPolarHBondContact O-CG 3.36Å; P245-K249 PolarHBondContact O-N 2.91Å
246	V	90.7	Very high	89	Confident	15 Å²	15	37 Å²	37	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-43.2	176	178	0	0	0	0	110.2	N178 I181 A182 E242 V243 L244 N248 K249 V250	N178-V246 HydrophobicContact CB-CG2 4.17Å; I181-V246 HydrophobicContact CB-CG1 4.29Å; I181-V246 HydrophobicContact CG2-CB 4.39Å; I181-V246 HydrophobicContact CG2-CG1 3.82Å; A182-V246 HydrophobicContact CB-CG1 4.11Å; E242-V246 WeakPolarHBondContact O-CG2 3.34Å; V243-V246 WeakPolarHBondContact O-CB 3.35Å; V243-V246 PolarHBondContact O-N 2.99Å; V243-V246 VanDerWaalsContact O-N 3.07Å; L244-V246 VanDerWaalsContact C-N 3.28Å; L244-V246 PolarHBondContact O-N 3.36Å; V246-N248 VanDerWaalsContact C-N 3.34Å; V246-N248 PolarHBondContact O-N 3.47Å; V246-K249 PolarHBondContact O-N 3.43Å; V246-V250 WeakPolarHBondContact O-CG2 3.35Å; V246-V250 PolarHBondContact O-N 3.32Å; V246-V250 VanDerWaalsContact O-N 3.14Å
247	L	91.2	Very high	89.1	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-41.9	175.8	-62.9	179.5	0	0	0	112.1	F185 L232 L236 V243 L244 K249 V250 A251 V271	F185-L247 HydrophobicContact CB-CD2 3.71Å; F185-L247 HydrophobicContact CD1-CB 4.42Å; F185-L247 HydrophobicContact CD1-CD2 3.49Å; F185-L247 VanDerWaalsContact CD1-CD2 3.49Å; F185-L247 HydrophobicContact CD2-CD2 3.52Å; F185-L247 HydrophobicContact CE1-CB 4.18Å; F185-L247 HydrophobicContact CE1-CD2 3.9Å; F185-L247 HydrophobicContact CE2-CD2 3.93Å; F185-L247 HydrophobicContact CG-CD2 3.29Å; F185-L247 HydrophobicContact CZ-CD2 4.1Å; L232-L247 HydrophobicContact CD1-CD2 4.42Å; L232-L247 HydrophobicContact CD2-CD2 4.18Å; L236-L247 HydrophobicContact CD1-CD1 3.73Å; V243-L247 HydrophobicContact CG1-CD1 3.9Å; V243-L247 HydrophobicContact CG1-CD2 4.5Å; V243-L247 HydrophobicContact CG1-CG 3.98Å; V243-L247 WeakPolarHBondContact O-CG 3.4Å; V243-L247 PolarHBondContact O-N 3.44Å; L244-L247 HydrophobicContact CD2-CD1 4.41Å; L244-L247 PolarHBondContact O-N 2.91Å; L247-K249 PolarHBondContact O-N 2.99Å; L247-V250 PolarHBondContact O-N 3.24Å; L247-A251 WeakPolarHBondContact O-CB 3.28Å; L247-A251 PolarHBondContact O-N 2.93Å; L247-V271 HydrophobicContact CB-CB 4.17Å; L247-V271 HydrophobicContact CB-CG1 4.47Å; L247-V271 HydrophobicContact CB-CG2 4.03Å
248	N	91.9	Very high	89.1	Confident	35 Å²	35	44.7 Å²	44.7	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-44.8	177.3	-67.2	-8.9	0	0	0	111.6	L244 V246 A251 M252 V269 H270 V271	L244-N248 PolarHBondContact O-N 2.92Å; L244-N248 PolarHBondContact O-OD1 2.88Å; V246-N248 VanDerWaalsContact C-N 3.34Å; V246-N248 PolarHBondContact O-N 3.47Å; N248-A251 PolarHBondContact O-N 2.96Å; N248-M252 WeakPolarHBondContact O-CB 3.43Å; N248-M252 PolarHBondContact O-N 3.29Å; N248-V269 WeakPolarHBondContact CA-O 3.18Å; N248-V269 VanDerWaalsContact CB-O 3.28Å; N248-V269 WeakPolarHBondContact CB-O 3.46Å; N248-H270 WeakPolarHBondContact OD1-CA 3.44Å; N248-V271 PolarHBondContact OD1-N 2.76Å
249	K	91.1	Very high	89.2	Confident	148 Å²	148	46.1 Å²	46.1	64%	0.643	22%	0.222	S	C	*	.	H	α-helix	trans	-60.6	-47.3	176.9	-72.8	176.4	-178.8	179.9	0	112	P245 V246 L247 A251 M252 D253	P245-K249 WeakPolarHBondContact O-CG 3.36Å; P245-K249 PolarHBondContact O-N 2.91Å; V246-K249 PolarHBondContact O-N 3.43Å; L247-K249 PolarHBondContact O-N 2.99Å; K249-A251 PolarHBondContact O-N 2.92Å; K249-M252 WeakPolarHBondContact O-CB 3.41Å; K249-M252 PolarHBondContact O-N 3.28Å; K249-D253 PolarHBondContact O-N 2.87Å
250	V	91.3	Very high	89.3	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.055	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-39.7	-179.7	175.8	0	0	0	0	111.9	A182 F185 Q186 V246 L247 M252 D253 L254	A182-V250 HydrophobicContact CB-CG2 3.48Å; A182-V250 VanDerWaalsContact CB-CG2 3.48Å; F185-V250 HydrophobicContact CD1-CB 3.79Å; F185-V250 HydrophobicContact CD1-CG1 3.6Å; F185-V250 HydrophobicContact CE1-CB 4.38Å; F185-V250 HydrophobicContact CE1-CG1 4.31Å; Q186-V250 HydrophobicContact CB-CG1 3.91Å; V246-V250 WeakPolarHBondContact O-CG2 3.35Å; V246-V250 PolarHBondContact O-N 3.32Å; V246-V250 VanDerWaalsContact O-N 3.14Å; L247-V250 PolarHBondContact O-N 3.24Å; V250-M252 VanDerWaalsContact C-N 3.33Å; V250-D253 PolarHBondContact O-N 3.47Å; V250-L254 WeakPolarHBondContact O-CB 3.38Å; V250-L254 PolarHBondContact O-N 3.33Å
251	A	90.2	Very high	89.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-44.5	174.7	0	0	0	0	0	110.9	L216 L247 N248 K249 L254 V255 V269 V271	L216-A251 HydrophobicContact CD2-CB 4.04Å; L247-A251 WeakPolarHBondContact O-CB 3.28Å; L247-A251 PolarHBondContact O-N 2.93Å; N248-A251 PolarHBondContact O-N 2.96Å; K249-A251 PolarHBondContact O-N 2.92Å; A251-L254 PolarHBondContact O-N 3.48Å; A251-V255 WeakPolarHBondContact O-CG2 3.5Å; A251-V255 PolarHBondContact O-N 3.26Å; A251-V269 HydrophobicContact CB-CG1 4.12Å; A251-V271 HydrophobicContact CB-CG2 3.71Å
252	M	89.7	Confident	89.2	Confident	22 Å²	22	52 Å²	52	11%	0.108	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-47.9	176	-174	59.8	172.7	0	0	111.8	N248 K249 V250 L254 V255 I256 V269	N248-M252 WeakPolarHBondContact O-CB 3.43Å; N248-M252 PolarHBondContact O-N 3.29Å; K249-M252 WeakPolarHBondContact O-CB 3.41Å; K249-M252 PolarHBondContact O-N 3.28Å; V250-M252 VanDerWaalsContact C-N 3.33Å; M252-L254 VanDerWaalsContact C-N 3.28Å; M252-L254 PolarHBondContact O-N 3.38Å; M252-V255 PolarHBondContact O-N 3.31Å; M252-V255 VanDerWaalsContact O-N 3.15Å; M252-I256 HydrophobicContact CE-CD1 3.93Å; M252-I256 HydrophobicContact CE-CG1 4.12Å; M252-I256 HydrophobicContact CG-CD1 3.82Å; M252-I256 HydrophobicContact CG-CG1 4.39Å; M252-I256 VanDerWaalsContact O-CG1 3.28Å; M252-I256 WeakPolarHBondContact O-CG1 3.26Å; M252-I256 PolarHBondContact O-N 3.03Å; M252-I256 HydrophobicContact SD-CD1 4.29Å; M252-I256 HydrophobicContact SD-CG1 4.33Å; M252-V269 HydrophobicContact SD-CG2 3.88Å
253	D	90.7	Very high	89	Confident	88 Å²	88	55.4 Å²	55.4	47%	0.471	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-39	178.5	-73.5	-14.1	0	0	0	112.3	K249 V250 K257	K249-D253 PolarHBondContact O-N 2.87Å; V250-D253 PolarHBondContact O-N 3.47Å; D253-K257 VanDerWaalsContact O-CG 3.25Å; D253-K257 WeakPolarHBondContact O-CG 3.34Å; D253-K257 PolarHBondContact O-N 3.23Å
254	L	88.1	Confident	88.8	Confident	14 Å²	14	66 Å²	66	7%	0.073	31%	0.311	C	S	.	.	H	α-helix	trans	-70.9	-37.9	178	-168.1	144.3	0	0	0	111.8	L189 Q190 I205 V250 A251 M252 K257 M258	L189-L254 HydrophobicContact CB-CD1 4.04Å; L189-L254 HydrophobicContact CD1-CD1 4.11Å; Q190-L254 HydrophobicContact CG-CD1 4.15Å; I205-L254 HydrophobicContact CD1-CD2 3.43Å; I205-L254 VanDerWaalsContact CD1-CD2 3.43Å; V250-L254 WeakPolarHBondContact O-CB 3.38Å; V250-L254 PolarHBondContact O-N 3.33Å; A251-L254 PolarHBondContact O-N 3.48Å; M252-L254 VanDerWaalsContact C-N 3.28Å; M252-L254 PolarHBondContact O-N 3.38Å; L254-K257 PolarHBondContact O-N 3.15Å; L254-M258 HydrophobicContact CD2-CE 3.44Å; L254-M258 VanDerWaalsContact CD2-CE 3.44Å; L254-M258 HydrophobicContact CD2-SD 4.18Å; L254-M258 PolarHBondContact O-N 3.29Å
255	V	90.1	Very high	88.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-45.1	174.2	172	0	0	0	0	110.8	I205 M208 A251 M252 K257 M258 Y259 Y262 V269	I205-V255 HydrophobicContact CG2-CG2 3.66Å; M208-V255 HydrophobicContact CE-CG2 3.75Å; A251-V255 WeakPolarHBondContact O-CG2 3.5Å; A251-V255 PolarHBondContact O-N 3.26Å; M252-V255 PolarHBondContact O-N 3.31Å; M252-V255 VanDerWaalsContact O-N 3.15Å; V255-K257 VanDerWaalsContact C-N 3.32Å; V255-K257 PolarHBondContact O-N 3.46Å; V255-M258 PolarHBondContact O-N 3.46Å; V255-Y259 PolarHBondContact O-N 2.92Å; V255-Y262 HydrophobicContact CG1-CD1 3.42Å; V255-Y262 VanDerWaalsContact CG1-CD1 3.42Å; V255-Y262 HydrophobicContact CG1-CD2 4.19Å; V255-Y262 HydrophobicContact CG1-CE1 3.97Å; V255-Y262 HydrophobicContact CG1-CG 3.55Å; V255-V269 HydrophobicContact CG2-CG2 4.43Å
256	I	89.6	Confident	87.9	Confident	54 Å²	54	67.1 Å²	67.1	28%	0.277	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-41.9	177.5	-67.2	166	0	0	0	110.8	M252 M258 Y259 P260	M252-I256 HydrophobicContact CE-CD1 3.93Å; M252-I256 HydrophobicContact CE-CG1 4.12Å; M252-I256 HydrophobicContact CG-CD1 3.82Å; M252-I256 HydrophobicContact CG-CG1 4.39Å; M252-I256 VanDerWaalsContact O-CG1 3.28Å; M252-I256 WeakPolarHBondContact O-CG1 3.26Å; M252-I256 PolarHBondContact O-N 3.03Å; M252-I256 HydrophobicContact SD-CD1 4.29Å; M252-I256 HydrophobicContact SD-CG1 4.33Å; I256-M258 VanDerWaalsContact C-N 3.29Å; I256-M258 PolarHBondContact O-N 3.18Å; I256-Y259 CarbonylContact O-C 3.42Å; I256-Y259 VanDerWaalsContact O-C 3.3Å; I256-Y259 PolarHBondContact O-N 3.19Å; I256-P260 WeakPolarHBondContact O-CA 3.4Å
257	K	89.9	Confident	87.3	Confident	134 Å²	134	71.8 Å²	71.8	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-60.4	-36.8	176.7	-77	169.2	-175.4	169.1	0	112.8	D253 L254 V255	D253-K257 VanDerWaalsContact O-CG 3.25Å; D253-K257 WeakPolarHBondContact O-CG 3.34Å; D253-K257 PolarHBondContact O-N 3.23Å; L254-K257 PolarHBondContact O-N 3.15Å; V255-K257 VanDerWaalsContact C-N 3.32Å; V255-K257 PolarHBondContact O-N 3.46Å
258	M	86.2	Confident	87	Confident	63 Å²	63	73.7 Å²	73.7	31%	0.31	36%	0.358	S	S	.	.	H	α-helix	trans	-83	-39.4	178.2	-67.9	-171.2	-60.5	0	0	112.7	L202 I205 L254 V255 I256	L202-M258 HydrophobicContact CD1-SD 4.35Å; L202-M258 HydrophobicContact CG-SD 4.14Å; I205-M258 HydrophobicContact CB-CE 3.89Å; I205-M258 HydrophobicContact CD1-CE 4.29Å; I205-M258 HydrophobicContact CG2-CE 3.23Å; L254-M258 HydrophobicContact CD2-CE 3.44Å; L254-M258 VanDerWaalsContact CD2-CE 3.44Å; L254-M258 HydrophobicContact CD2-SD 4.18Å; L254-M258 PolarHBondContact O-N 3.29Å; V255-M258 PolarHBondContact O-N 3.46Å; I256-M258 VanDerWaalsContact C-N 3.29Å; I256-M258 PolarHBondContact O-N 3.18Å
259	Y	88	Confident	86.9	Confident	95 Å²	95	72 Å²	72	37%	0.373	35%	0.349	S	S	.	.			trans	-134.5	88.4	-176.6	-62.9	-77.8	0	0	0	110.2	C209 V255 I256 K261 Y262	C209-Y259 HydrophobicContact CB-CD2 4.23Å; C209-Y259 HydrophobicContact CB-CE2 4.21Å; V255-Y259 PolarHBondContact O-N 2.92Å; I256-Y259 CarbonylContact O-C 3.42Å; I256-Y259 VanDerWaalsContact O-C 3.3Å; I256-Y259 PolarHBondContact O-N 3.19Å; Y259-K261 PolarHBondContact O-N 3.04Å; Y259-Y262 VanDerWaalsContact O-CB 3.28Å; Y259-Y262 WeakPolarHBondContact O-CB 3.42Å; Y259-Y262 PolarHBondContact O-N 3.04Å
260	P	87.4	Confident	86.9	Confident	97 Å²	97	67.1 Å²	67.1	63%	0.63	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-59.2	-24.9	-179.7	-26.7	34.7	0	0	0	113.9	I256 Y262	I256-P260 WeakPolarHBondContact O-CA 3.4Å; P260-Y262 VanDerWaalsContact C-N 3.32Å; P260-Y262 PolarHBondContact O-N 3.47Å
261	K	86.6	Confident	86.9	Confident	169 Å²	169	66.8 Å²	66.8	74%	0.735	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-79	-10.6	179.4	-64	-175.2	179.8	-179.1	0	114	Y259 Q263 R264	Y259-K261 PolarHBondContact O-N 3.04Å; K261-Q263 PolarHBondContact O-N 3Å; K261-R264 PolarHBondContact O-N 3.35Å
262	Y	86.4	Confident	87	Confident	7 Å²	7	67.6 Å²	67.6	3%	0.027	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-64	-26	-174.3	-169.1	-96.1	0	0	0	113.2	C209 R213 V255 Y259 P260 R264 I265 A266 V269	C209-Y262 HydrophobicContact CB-CD2 4.43Å; C209-Y262 HydrophobicContact CB-CE2 4.36Å; R213-Y262 PolarHBondContact O-OH 3.15Å; V255-Y262 HydrophobicContact CG1-CD1 3.42Å; V255-Y262 VanDerWaalsContact CG1-CD1 3.42Å; V255-Y262 HydrophobicContact CG1-CD2 4.19Å; V255-Y262 HydrophobicContact CG1-CE1 3.97Å; V255-Y262 HydrophobicContact CG1-CG 3.55Å; Y259-Y262 VanDerWaalsContact O-CB 3.28Å; Y259-Y262 WeakPolarHBondContact O-CB 3.42Å; Y259-Y262 PolarHBondContact O-N 3.04Å; P260-Y262 VanDerWaalsContact C-N 3.32Å; P260-Y262 PolarHBondContact O-N 3.47Å; Y262-R264 PolarHBondContact O-N 2.68Å; Y262-I265 HydrophobicContact CD2-CD1 4.08Å; Y262-I265 HydrophobicContact CE2-CD1 4.32Å; Y262-I265 PolarHBondContact O-N 3.15Å; Y262-A266 HydrophobicContact CE1-CB 4.2Å; Y262-A266 PolarHBondContact O-N 3.07Å; Y262-V269 HydrophobicContact CE1-CG2 3.88Å
263	Q	81.4	Confident	87.1	Confident	132 Å²	132	66.7 Å²	66.7	62%	0.617	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-57.9	-20.9	178.7	-167.8	175.5	9.5	0	0	114	K261 I265	K261-Q263 PolarHBondContact O-N 3Å; Q263-I265 VanDerWaalsContact C-N 3.34Å
264	R	85	Confident	86.9	Confident	223 Å²	223	62.8 Å²	62.8	84%	0.842	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-77.9	-19.1	175.8	-62.9	-177.8	-177.5	-179.5	-2.2	113.7	K261 Y262	K261-R264 PolarHBondContact O-N 3.35Å; Y262-R264 PolarHBondContact O-N 2.68Å
265	I	82.3	Confident	86.6	Confident	92 Å²	92	66.4 Å²	66.4	47%	0.472	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-53.2	-173.1	-58.2	174	0	0	0	109.7	N212 Y262 Q263	N212-I265 HydrophobicContact CB-CG2 4.12Å; Y262-I265 HydrophobicContact CD2-CD1 4.08Å; Y262-I265 HydrophobicContact CE2-CD1 4.32Å; Y262-I265 PolarHBondContact O-N 3.15Å; Q263-I265 VanDerWaalsContact C-N 3.34Å
266	A	78.4	Confident	86.4	Confident	8 Å²	8	66.8 Å²	66.8	7%	0.066	32%	0.323	C	S	.	.			trans	-137.8	136.1	-179.4	0	0	0	0	0	110.3	E214 Y262 S268	E214-A266 HydrophobicContact CB-CB 4.19Å; Y262-A266 HydrophobicContact CE1-CB 4.2Å; Y262-A266 PolarHBondContact O-N 3.07Å; A266-S268 VanDerWaalsContact C-N 3.29Å; A266-S268 PolarHBondContact O-N 3.19Å
267	P	78.4	Confident	86.2	Confident	113 Å²	113	69.1 Å²	69.1	73%	0.734	34%	0.342	S	S	*	.	S	Bend	trans	-73.9	-21.6	179.6	29.7	-34.4	0	0	0	112.8
268	S	84.4	Confident	86.1	Confident	44 Å²	44	67.9 Å²	67.9	31%	0.308	34%	0.341	S	S	.	.			trans	-145.1	150.7	-174.5	51.7	0	0	0	0	111.8	A266 H270	A266-S268 VanDerWaalsContact C-N 3.29Å; A266-S268 PolarHBondContact O-N 3.19Å; S268-H270 PolarHBondContact OG-CE1 3.3Å
269	V	89.3	Confident	86.1	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.006	35%	0.345	C	S	.	.			trans	-116	128.3	170.9	174.8	0	0	0	0	108.4	M208 E214 L216 N248 A251 M252 V255 Y262	M208-V269 HydrophobicContact CE-CG1 4.05Å; M208-V269 HydrophobicContact CE-CG2 4.22Å; M208-V269 HydrophobicContact SD-CG1 4.08Å; E214-V269 CarbonylContact O-C 3.34Å; E214-V269 WeakPolarHBondContact O-CA 3.44Å; E214-V269 WeakPolarHBondContact O-CG1 3.47Å; L216-V269 HydrophobicContact CB-CG1 4.2Å; N248-V269 WeakPolarHBondContact CA-O 3.18Å; N248-V269 VanDerWaalsContact CB-O 3.28Å; N248-V269 WeakPolarHBondContact CB-O 3.46Å; A251-V269 HydrophobicContact CB-CG1 4.12Å; M252-V269 HydrophobicContact SD-CG2 3.88Å; V255-V269 HydrophobicContact CG2-CG2 4.43Å; Y262-V269 HydrophobicContact CE1-CG2 3.88Å
270	H	90.8	Very high	86.1	Confident	45 Å²	45	66 Å²	66	21%	0.208	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.3	-179.2	-62.1	98.9	0	0	0	110.8	E214 S215 L216 N248 S268	E214-H270 PolarHBondContact O-N 3.23Å; S215-H270 WeakPolarHBondContact CA-O 3.28Å; L216-H270 PolarHBondContact N-O 2.57Å; N248-H270 WeakPolarHBondContact OD1-CA 3.44Å; S268-H270 PolarHBondContact OG-CE1 3.3Å
271	V	92.3	Very high	86.2	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.2	177.2	-179.4	0	0	0	0	109.9	F185 L216 V218 L247 N248 A251 N430	F185-V271 HydrophobicContact CE1-CG2 4.4Å; F185-V271 HydrophobicContact CZ-CG1 4.3Å; F185-V271 HydrophobicContact CZ-CG2 4.32Å; L216-V271 CarbonylContact O-C 3.58Å; L216-V271 WeakPolarHBondContact O-CA 3.44Å; V218-V271 HydrophobicContact CB-CG1 4.21Å; V218-V271 HydrophobicContact CG2-CG1 3.62Å; L247-V271 HydrophobicContact CB-CB 4.17Å; L247-V271 HydrophobicContact CB-CG1 4.47Å; L247-V271 HydrophobicContact CB-CG2 4.03Å; N248-V271 PolarHBondContact OD1-N 2.76Å; A251-V271 HydrophobicContact CB-CG2 3.71Å; V271-N430 PolarHBondContact O-OD1 3.07Å
272	R	93.1	Very high	86.3	Confident	18 Å²	18	57.6 Å²	57.6	7%	0.068	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.3	-177.8	-55	-67.5	173	-154	-1.6	109.2	L216 V217 V218 D389 N430 Y431	L216-R272 PolarHBondContact O-N 3.44Å; V217-R272 CarbonylContact C-O 3.55Å; V217-R272 WeakPolarHBondContact CA-O 3.37Å; V217-R272 HydrophobicContact CG2-CB 4.23Å; V218-R272 PolarHBondContact N-O 3.31Å; R272-D389 IonicContact CZ-OD1 2.67Å; R272-D389 IonicContact CZ-OD2 2.76Å; R272-D389 IonicContact NE-OD1 2.72Å; R272-D389 IonicContact NE-OD2 3.47Å; R272-D389 PolarHBondContact NE-OD2 2.97Å; R272-D389 IonicContact NH2-OD1 2.74Å; R272-D389 PolarHBondContact NH2-OD1 2.9Å; R272-D389 IonicContact NH2-OD2 2.73Å; R272-D389 PolarHBondContact NH2-OD2 3.24Å; R272-N430 WeakPolarHBondContact CD-O 3.29Å; R272-N430 PolarHBondContact NE-O 3.26Å; R272-N430 PolarHBondContact NH1-O 2.6Å; R272-N430 PolarHBondContact NH1-OD1 3.11Å; R272-Y431 HydrophobicContact CB-CD2 3.69Å; R272-Y431 HydrophobicContact CB-CE2 4.46Å; R272-Y431 HydrophobicContact CB-CG 4.16Å; R272-Y431 HydrophobicContact CG-CD2 4.28Å
273	I	91.3	Very high	86.5	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.7	-179	-53.7	160.4	0	0	0	109.4	V218 F220 L236 L244 L276 L293 Y431	V218-I273 WeakPolarHBondContact O-CA 3.27Å; F220-I273 HydrophobicContact CB-CG2 4.23Å; F220-I273 HydrophobicContact CD2-CG2 4.41Å; L236-I273 HydrophobicContact CD1-CD1 3.82Å; L236-I273 HydrophobicContact CD2-CD1 3.46Å; L236-I273 VanDerWaalsContact CD2-CD1 3.46Å; L236-I273 HydrophobicContact CD2-CG1 4.06Å; L236-I273 HydrophobicContact CD2-CG2 4.19Å; L236-I273 HydrophobicContact CG-CD1 3.7Å; L244-I273 HydrophobicContact CD2-CD1 3.73Å; L244-I273 HydrophobicContact CD2-CG1 4.29Å; I273-L276 HydrophobicContact CB-CD1 4.38Å; I273-L276 HydrophobicContact CG2-CD1 3.63Å; I273-L293 HydrophobicContact CD1-CD2 3.45Å; I273-L293 VanDerWaalsContact CD1-CD2 3.45Å; I273-Y431 WeakPolarHBondContact O-CB 3.22Å; I273-Y431 WeakPolarHBondContact O-CD1 3.36Å
274	A	86.6	Confident	86.8	Confident	7 Å²	7	56 Å²	56	6%	0.058	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	153.6	174.5	0	0	0	0	0	111.6	V217 V218 F220 Y431	V217-A274 HydrophobicContact CG1-CB 3.8Å; V218-A274 PolarHBondContact O-N 3.41Å; F220-A274 WeakPolarHBondContact CB-O 3.23Å; F220-A274 PolarHBondContact N-O 2.96Å; A274-Y431 HydrophobicContact CB-CD1 4.15Å; A274-Y431 HydrophobicContact CB-CE1 3.78Å
275	E	81.3	Confident	87.1	Confident	89 Å²	89	45.8 Å²	45.8	42%	0.416	26%	0.257	S	S	.	.			trans	59.1	49	168	-58.1	179.2	-154.2	0	0	115.9	K221	K221-E275 VanDerWaalsContact CD-OE2 3.25Å; K221-E275 WeakPolarHBondContact CD-OE2 3.01Å; K221-E275 WeakPolarHBondContact CE-OE2 3.3Å; K221-E275 IonicContact NZ-OE2 3.89Å; K221-E275 PolarHBondContact NZ-OE2 3.41Å
276	L	86.4	Confident	87.5	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.042	26%	0.261	C	S	.	.			trans	-54.9	142.1	164.5	-84.7	74.8	0	0	0	109.6	I273 L278 L293 R295	I273-L276 HydrophobicContact CB-CD1 4.38Å; I273-L276 HydrophobicContact CG2-CD1 3.63Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 2.64Å; L276-L293 HydrophobicContact CD1-CD2 4.04Å; L276-L293 HydrophobicContact CD2-CB 4.38Å; L276-L293 HydrophobicContact CD2-CD2 3.87Å; L276-L293 HydrophobicContact CD2-CG 3.87Å; L276-L293 HydrophobicContact CG-CD2 4.4Å; L276-R295 HydrophobicContact CB-CB 4.06Å; L276-R295 HydrophobicContact CD2-CB 4.4Å; L276-R295 PolarHBondContact O-NE 3.11Å; L276-R295 VanDerWaalsContact O-NE 3.13Å; L276-R295 PolarHBondContact O-NH1 3.31Å; L276-R295 PolarHBondContact O-NH2 2.99Å
277	P	85.4	Confident	88	Confident	103 Å²	103	56.1 Å²	56.1	67%	0.669	30%	0.296	S	S	*	.	S	Bend	trans	-70.8	-30.6	-177.8	25.7	-33.8	0	0	0	112.6	F220 R295	F220-P277 VanDerWaalsContact CD1-CD 3.44Å; F220-P277 HydrophobicContact CD1-CG 4.24Å; F220-P277 HydrophobicContact CE1-CG 3.92Å; P277-R295 PolarHBondContact O-NH2 3.07Å; P277-R295 VanDerWaalsContact O-NH2 3.11Å
278	L	87.7	Confident	88.6	Confident	109 Å²	109	54.7 Å²	54.7	57%	0.571	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-88.3	121.4	-178.9	-170.2	65.2	0	0	0	110.1	L276 E280 R295	L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 2.64Å; L278-E280 HydrophobicContact CD2-CG 4.07Å; L278-E280 HydrophobicContact CG-CG 4.07Å; L278-R295 VanDerWaalsContact C-NH2 3.32Å; L278-R295 WeakPolarHBondContact O-CB 3.46Å; L278-R295 PolarHBondContact O-NE 2.94Å; L278-R295 PolarHBondContact O-NH2 2.84Å
279	E	85.7	Confident	88.8	Confident	82 Å²	82	53.5 Å²	53.5	38%	0.383	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-102.1	119.8	165.4	-171.9	-179.9	168.5	0	0	107.6	R295 S297 K372 R435	E279-R295 VanDerWaalsContact N-NH2 3.2Å; E279-S297 WeakPolarHBondContact OE1-CB 3.35Å; E279-K372 IonicContact OE1-NZ 3.43Å; E279-K372 PolarHBondContact OE1-NZ 2.86Å; E279-R435 IonicContact OE1-NH2 3.97Å; E279-R435 PolarHBondContact OE1-NH2 2.99Å
280	E	88.7	Confident	88.9	Confident	36 Å²	36	56.2 Å²	56.2	17%	0.168	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-98.9	141.7	174.8	-63.7	-165.2	155.6	0	0	110.3	L278 L285 N289 R295	L278-E280 HydrophobicContact CD2-CG 4.07Å; L278-E280 HydrophobicContact CG-CG 4.07Å; E280-L285 WeakPolarHBondContact OE2-CD2 3.37Å; E280-N289 VanDerWaalsContact CD-ND2 3.27Å; E280-N289 PolarHBondContact OE1-ND2 2.79Å; E280-N289 PolarHBondContact OE2-ND2 2.79Å; E280-R295 PolarHBondContact N-O 3.39Å
281	T	88.3	Confident	88.8	Confident	85 Å²	85	57.3 Å²	57.3	52%	0.521	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-79.7	148.5	169.7	56.2	0	0	0	0	109.4	R283 G284 L285	T281-R283 PolarHBondContact O-N 3.47Å; T281-G284 WeakPolarHBondContact O-CA 3.39Å; T281-G284 PolarHBondContact O-N 3.34Å; T281-G284 PolarHBondContact OG1-N 3.02Å; T281-L285 PolarHBondContact O-N 3.49Å
282	I	90.2	Very high	88.7	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-57.6	-37.3	179.6	-65.3	168.8	0	0	0	110.8	G284 L285 I296 V366 E368 R380 K382	I282-G284 VanDerWaalsContact C-N 3.28Å; I282-G284 PolarHBondContact O-N 2.8Å; I282-L285 PolarHBondContact O-N 3.09Å; I282-I296 HydrophobicContact CD1-CG2 4Å; I282-I296 HydrophobicContact CG1-CG2 3.31Å; I282-V366 HydrophobicContact CD1-CG1 4.19Å; I282-E368 HydrophobicContact CB-CG 3.62Å; I282-E368 HydrophobicContact CD1-CG 3.84Å; I282-E368 HydrophobicContact CG1-CG 4.06Å; I282-E368 HydrophobicContact CG2-CG 4.46Å; I282-E368 PolarHBondContact N-OE1 2.81Å; I282-R380 HydrophobicContact CG2-CB 4.18Å; I282-K382 HydrophobicContact CG2-CB 4.25Å; I282-K382 HydrophobicContact CG2-CG 3.52Å
283	R	88.9	Confident	88.7	Confident	70 Å²	70	59.4 Å²	59.4	26%	0.264	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-66.4	-26.9	173.7	-178.1	-178.9	-60.1	-99.5	-4.7	113.6	T281 L285 R286 E368 I378	T281-R283 PolarHBondContact O-N 3.47Å; R283-L285 VanDerWaalsContact C-N 3.32Å; R283-R286 PolarHBondContact O-NH1 3.25Å; R283-R286 PolarHBondContact O-NH2 3.11Å; R283-E368 WeakPolarHBondContact CB-OE1 3.48Å; R283-E368 PolarHBondContact N-OE1 3.32Å; R283-E368 IonicContact NE-OE2 3.66Å; R283-E368 IonicContact NH2-OE2 3.67Å; R283-I378 PolarHBondContact NH2-O 3.46Å
284	G	88.3	Confident	88.8	Confident	35 Å²	35	59.5 Å²	59.5	36%	0.361	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-74.2	-19.2	180	0	0	0	0	0	114	T281 I282 R286	T281-G284 WeakPolarHBondContact O-CA 3.39Å; T281-G284 PolarHBondContact O-N 3.34Å; T281-G284 PolarHBondContact OG1-N 3.02Å; I282-G284 VanDerWaalsContact C-N 3.28Å; I282-G284 PolarHBondContact O-N 2.8Å; G284-R286 WeakPolarHBondContact O-CG 3.44Å; G284-R286 PolarHBondContact O-N 3.13Å
285	L	90.8	Very high	89.1	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.042	32%	0.318	C	S	.	.			trans	-62.5	124.1	-178.6	-63.2	168.7	0	0	0	111.5	E280 T281 I282 R283 N289 V294 I296 K382 Y406 I427	E280-L285 WeakPolarHBondContact OE2-CD2 3.37Å; T281-L285 PolarHBondContact O-N 3.49Å; I282-L285 PolarHBondContact O-N 3.09Å; R283-L285 VanDerWaalsContact C-N 3.32Å; L285-N289 HydrophobicContact CD2-CB 4.49Å; L285-V294 HydrophobicContact CD2-CB 4.48Å; L285-V294 HydrophobicContact CD2-CG1 4.24Å; L285-V294 HydrophobicContact CD2-CG2 4.49Å; L285-I296 HydrophobicContact CD1-CD1 3.67Å; L285-I296 HydrophobicContact CD1-CG1 4.47Å; L285-I296 HydrophobicContact CD2-CD1 4.04Å; L285-I296 HydrophobicContact CD2-CG1 4.45Å; L285-I296 HydrophobicContact CG-CD1 4.35Å; L285-K382 HydrophobicContact CD1-CG 4.25Å; L285-Y406 HydrophobicContact CB-CE2 4.38Å; L285-Y406 HydrophobicContact CD1-CD2 4.32Å; L285-Y406 HydrophobicContact CD1-CE2 4.08Å; L285-I427 HydrophobicContact CD1-CD1 4.15Å
286	R	90.8	Very high	89.6	Confident	145 Å²	145	57.1 Å²	57.1	55%	0.547	30%	0.3	S	S	.	.			trans	-133.8	179.2	179.9	-68	-66.5	179.7	-86.6	-7.1	110.3	R283 G284 S288 N289	R283-R286 PolarHBondContact O-NH1 3.25Å; R283-R286 PolarHBondContact O-NH2 3.11Å; G284-R286 WeakPolarHBondContact O-CG 3.44Å; G284-R286 PolarHBondContact O-N 3.13Å; R286-S288 PolarHBondContact O-N 3.1Å; R286-S288 VanDerWaalsContact O-N 3.14Å; R286-N289 PolarHBondContact N-OD1 3.08Å; R286-N289 PolarHBondContact O-N 3.43Å; R286-N289 PolarHBondContact O-OD1 3.35Å
287	Q	90	Very high	89.8	Confident	173 Å²	173	57.3 Å²	57.3	81%	0.808	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-58.4	-22.9	175.7	69.8	-176.5	21.6	0	0	113.7	N289 L290	Q287-N289 PolarHBondContact O-N 3.02Å; Q287-L290 HydrophobicContact CB-CD1 4.1Å; Q287-L290 WeakPolarHBondContact O-CB 2.81Å; Q287-L290 WeakPolarHBondContact O-CD1 3.3Å; Q287-L290 WeakPolarHBondContact O-CG 3.32Å; Q287-L290 PolarHBondContact O-N 3.21Å
288	S	90.3	Very high	90	Very high	83 Å²	83	52.4 Å²	52.4	58%	0.58	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64	-22.1	175.5	44.9	0	0	0	0	113.5	R286 N292	R286-S288 PolarHBondContact O-N 3.1Å; R286-S288 VanDerWaalsContact O-N 3.14Å; S288-N292 PolarHBondContact O-ND2 3.4Å; S288-N292 VanDerWaalsContact O-ND2 3.14Å
289	N	89.3	Confident	90	Very high	18 Å²	18	48 Å²	48	10%	0.096	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-95.8	-0.4	-176.4	-56.7	96	0	0	0	112.6	E280 L285 R286 Q287 N291 N292 V294 Y406	E280-N289 VanDerWaalsContact CD-ND2 3.27Å; E280-N289 PolarHBondContact OE1-ND2 2.79Å; E280-N289 PolarHBondContact OE2-ND2 2.79Å; L285-N289 HydrophobicContact CD2-CB 4.49Å; R286-N289 PolarHBondContact N-OD1 3.08Å; R286-N289 PolarHBondContact O-N 3.43Å; R286-N289 PolarHBondContact O-OD1 3.35Å; Q287-N289 PolarHBondContact O-N 3.02Å; N289-N291 PolarHBondContact O-N 2.96Å; N289-N292 PolarHBondContact O-N 3.33Å; N289-V294 HydrophobicContact CB-CG1 4.07Å; N289-Y406 HydrophobicContact CB-CD1 4.19Å
290	L	90.6	Very high	90.1	Very high	59 Å²	59	44.1 Å²	44.1	31%	0.309	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	131.4	-179.6	-72.1	168.9	0	0	0	110.9	Q287 N292 Y406 H408	Q287-L290 HydrophobicContact CB-CD1 4.1Å; Q287-L290 WeakPolarHBondContact O-CB 2.81Å; Q287-L290 WeakPolarHBondContact O-CD1 3.3Å; Q287-L290 WeakPolarHBondContact O-CG 3.32Å; Q287-L290 PolarHBondContact O-N 3.21Å; L290-N292 PolarHBondContact O-N 3.06Å; L290-N292 VanDerWaalsContact O-N 3.13Å; L290-Y406 HydrophobicContact CD2-CD1 3.86Å; L290-Y406 HydrophobicContact CD2-CE1 3.73Å; L290-Y406 HydrophobicContact CG-CD1 4.37Å; L290-Y406 HydrophobicContact CG-CE1 4.32Å; L290-H408 HydrophobicContact CD2-CB 4.07Å
291	N	89.2	Confident	89.9	Confident	68 Å²	68	43.4 Å²	43.4	36%	0.364	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	12.1	-179.3	-52.4	-13.6	0	0	0	114.8	P240 N289 Y406	P240-N291 WeakPolarHBondContact CD-O 3.28Å; P240-N291 WeakPolarHBondContact CG-O 3.49Å; N289-N291 PolarHBondContact O-N 2.96Å; N291-Y406 PolarHBondContact N-O 3.37Å
292	N	90.6	Very high	89.6	Confident	51 Å²	51	39.8 Å²	39.8	27%	0.273	21%	0.205	S	C	.	.	S	Bend	trans	-94.8	156.8	174.1	-66.2	-23.7	0	0	0	110.6	P237 E238 S288 N289 L290 V294 Y406	P237-N292 WeakPolarHBondContact O-CA 3.46Å; E238-N292 PolarHBondContact O-OD1 2.92Å; S288-N292 PolarHBondContact O-ND2 3.4Å; S288-N292 VanDerWaalsContact O-ND2 3.14Å; N289-N292 PolarHBondContact O-N 3.33Å; L290-N292 PolarHBondContact O-N 3.06Å; L290-N292 VanDerWaalsContact O-N 3.13Å; N292-V294 PolarHBondContact O-N 3.27Å; N292-Y406 PolarHBondContact O-N 2.79Å
293	L	91.9	Very high	89.3	Confident	11 Å²	11	41.1 Å²	41.1	6%	0.058	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	115.3	172.2	-167.1	68.8	0	0	0	109.5	P237 P240 I273 L276 I405	P237-L293 PolarHBondContact O-N 2.81Å; P240-L293 HydrophobicContact CB-CB 4.24Å; P240-L293 HydrophobicContact CB-CD1 4.42Å; P240-L293 HydrophobicContact CG-CB 4.31Å; I273-L293 HydrophobicContact CD1-CD2 3.45Å; I273-L293 VanDerWaalsContact CD1-CD2 3.45Å; L276-L293 HydrophobicContact CD1-CD2 4.04Å; L276-L293 HydrophobicContact CD2-CB 4.38Å; L276-L293 HydrophobicContact CD2-CD2 3.87Å; L276-L293 HydrophobicContact CD2-CG 3.87Å; L276-L293 HydrophobicContact CG-CD2 4.4Å; L293-I405 HydrophobicContact CD1-CG1 4.16Å
294	V	93.4	Very high	89.1	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.3	179.5	-63.9	0	0	0	0	110.7	L285 N289 N292 I296 S403 G404 I427	L285-V294 HydrophobicContact CD2-CB 4.48Å; L285-V294 HydrophobicContact CD2-CG1 4.24Å; L285-V294 HydrophobicContact CD2-CG2 4.49Å; N289-V294 HydrophobicContact CB-CG1 4.07Å; N292-V294 PolarHBondContact O-N 3.27Å; V294-I296 HydrophobicContact CB-CD1 4.47Å; V294-I296 HydrophobicContact CG2-CD1 3.79Å; V294-I296 HydrophobicContact CG2-CG1 4.37Å; V294-S403 CarbonylContact O-C 3.58Å; V294-S403 WeakPolarHBondContact O-CA 3.49Å; V294-G404 WeakPolarHBondContact CG2-O 3.42Å; V294-G404 PolarHBondContact N-O 3.23Å; V294-G404 PolarHBondContact O-N 3.29Å; V294-I427 HydrophobicContact CG2-CG2 4.43Å
295	R	93.5	Very high	89	Confident	41 Å²	41	38.8 Å²	38.8	16%	0.155	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.6	169.5	176.1	-175.7	67.8	159.6	-2.2	109	L276 P277 L278 E279 E280 L402	L276-R295 HydrophobicContact CB-CB 4.06Å; L276-R295 HydrophobicContact CD2-CB 4.4Å; L276-R295 PolarHBondContact O-NE 3.11Å; L276-R295 VanDerWaalsContact O-NE 3.13Å; L276-R295 PolarHBondContact O-NH1 3.31Å; L276-R295 PolarHBondContact O-NH2 2.99Å; P277-R295 PolarHBondContact O-NH2 3.07Å; P277-R295 VanDerWaalsContact O-NH2 3.11Å; L278-R295 VanDerWaalsContact C-NH2 3.32Å; L278-R295 WeakPolarHBondContact O-CB 3.46Å; L278-R295 PolarHBondContact O-NE 2.94Å; L278-R295 PolarHBondContact O-NH2 2.84Å; E279-R295 VanDerWaalsContact N-NH2 3.2Å; E280-R295 PolarHBondContact N-O 3.39Å; R295-L402 CarbonylContact C-O 3.59Å; R295-L402 WeakPolarHBondContact CA-O 3.23Å
296	I	92.8	Very high	88.9	Confident	6 Å²	6	41.7 Å²	41.7	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	147.1	-175.2	-64.7	156	0	0	0	109	I282 L285 V294 E401 L402 I427	I282-I296 HydrophobicContact CD1-CG2 4Å; I282-I296 HydrophobicContact CG1-CG2 3.31Å; L285-I296 HydrophobicContact CD1-CD1 3.67Å; L285-I296 HydrophobicContact CD1-CG1 4.47Å; L285-I296 HydrophobicContact CD2-CD1 4.04Å; L285-I296 HydrophobicContact CD2-CG1 4.45Å; L285-I296 HydrophobicContact CG-CD1 4.35Å; V294-I296 HydrophobicContact CB-CD1 4.47Å; V294-I296 HydrophobicContact CG2-CD1 3.79Å; V294-I296 HydrophobicContact CG2-CG1 4.37Å; I296-E401 WeakPolarHBondContact O-CA 3.14Å; I296-L402 PolarHBondContact N-O 3.45Å; I296-L402 PolarHBondContact O-N 3.06Å; I296-I427 HydrophobicContact CD1-CD1 3.12Å
297	S	90.3	Very high	88.8	Confident	11 Å²	11	38 Å²	38	8%	0.077	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	136.7	172.4	173.8	0	0	0	0	110.3	E279 I400 R435	E279-S297 WeakPolarHBondContact OE1-CB 3.35Å; S297-I400 WeakPolarHBondContact CA-O 3.25Å; S297-R435 PolarHBondContact OG-NH1 2.75Å; S297-R435 PolarHBondContact OG-NH2 2.82Å
298	G	88.4	Confident	88.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	177.6	175.8	0	0	0	0	0	113.5	Q367 I400	G298-Q367 CarbonylContact C-O 3.55Å; G298-Q367 WeakPolarHBondContact CA-O 3.37Å; G298-I400 PolarHBondContact N-O 2.98Å; G298-I400 PolarHBondContact O-N 2.85Å
299	V	88.1	Confident	88.6	Confident	18 Å²	18	32 Å²	32	11%	0.109	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.4	174.6	-178.6	0	0	0	0	108.3	V366 Q367 E399	V299-V366 WeakPolarHBondContact O-CA 3.34Å; V299-Q367 PolarHBondContact N-O 2.82Å; V299-Q367 PolarHBondContact O-N 3.29Å; V299-E399 HydrophobicContact CG2-CG 3.82Å
300	V	88.4	Confident	88.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.1	172	175.5	0	0	0	0	109.6	T303 V364 V366 C394 G397 D398 I400	V300-T303 HydrophobicContact CG1-CG2 3.64Å; V300-V364 HydrophobicContact CB-CG1 4.16Å; V300-V364 HydrophobicContact CG1-CG1 3.32Å; V300-V364 HydrophobicContact CG2-CG1 3.8Å; V300-V366 HydrophobicContact CG2-CG2 4.41Å; V300-C394 HydrophobicContact CG2-CB 4.02Å; V300-G397 PolarHBondContact O-N 2.97Å; V300-D398 PolarHBondContact N-O 2.78Å; V300-I400 HydrophobicContact CG2-CD1 3.53Å; V300-I400 HydrophobicContact CG2-CG1 3.9Å; V300-I400 HydrophobicContact CG2-CG2 4.19Å
301	T	83.1	Confident	88.2	Confident	21 Å²	21	32.4 Å²	32.4	13%	0.129	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-44.1	179.1	53.6	0	0	0	0	112.5	T365 Q367	T301-T365 PolarHBondContact N-O 3.16Å; T301-T365 PolarHBondContact OG1-O 2.9Å; T301-T365 PolarHBondContact OG1-OG1 3.38Å; T301-Q367 HydrophobicContact CG2-CB 3.68Å
302	T	83.2	Confident	88.1	Confident	9 Å²	9	30.6 Å²	30.6	6%	0.055	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.3	179.9	76.9	0	0	0	0	110.6	V364 T365	T302-V364 WeakPolarHBondContact O-CA 3.23Å; T302-T365 WeakPolarHBondContact CB-OG1 3.23Å; T302-T365 PolarHBondContact N-OG1 2.95Å; T302-T365 VanDerWaalsContact N-OG1 3.07Å; T302-T365 PolarHBondContact O-N 2.86Å; T302-T365 PolarHBondContact O-OG1 3.17Å; T302-T365 VanDerWaalsContact OG1-CG2 3.29Å; T302-T365 WeakPolarHBondContact OG1-CG2 3.37Å; T302-T365 PolarHBondContact OG1-OG1 2.72Å
303	T	83.8	Confident	88	Confident	33 Å²	33	28.4 Å²	28.4	20%	0.202	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.2	176.2	54.3	0	0	0	0	107.8	V300 V364 P396	V300-T303 HydrophobicContact CG1-CG2 3.64Å; T303-V364 HydrophobicContact CG2-CG1 4.13Å; T303-V364 HydrophobicContact CG2-CG2 4.09Å; T303-P396 HydrophobicContact CG2-CG 4.05Å; T303-P396 WeakPolarHBondContact OG1-CG 3.44Å
304	T	85.5	Confident	87.9	Confident	6 Å²	6	30.3 Å²	30.3	4%	0.037	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-75.7	165.4	166.6	66.6	0	0	0	0	110.2	Q362 C363 T554	T304-Q362 PolarHBondContact O-NE2 2.69Å; T304-Q362 VanDerWaalsContact O-NE2 3.11Å; T304-C363 HydrophobicContact CG2-CB 3.89Å; T304-C363 PolarHBondContact N-O 3.06Å; T304-C363 PolarHBondContact OG1-N 3.39Å; T304-C363 PolarHBondContact OG1-O 2.91Å; T304-T554 HydrophobicContact CG2-CG2 4.35Å
305	G	84.3	Confident	87.7	Confident	49 Å²	49	31.1 Å²	31.1	51%	0.505	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-61.1	167.7	161.3	0	0	0	0	0	111.5
306	I	89.2	Confident	87.5	Confident	70 Å²	70	31.3 Å²	31.3	36%	0.359	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-77.2	123.5	171.4	-60.2	173.4	0	0	0	108.2	N360 C391 D392	I306-N360 HydrophobicContact CG2-CB 3.85Å; I306-C391 HydrophobicContact CD1-CB 4.07Å; I306-C391 HydrophobicContact CG1-CB 4.17Å; I306-D392 HydrophobicContact CD1-CB 4.2Å; I306-D392 VanDerWaalsContact CD1-CG 3.4Å; I306-D392 WeakPolarHBondContact CD1-OD2 3.42Å
307	I	88.3	Confident	87.3	Confident	68 Å²	68	31.1 Å²	31.1	35%	0.349	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.5	178.3	-57	171.5	0	0	0	107.7	Q309 Y361	I307-Q309 PolarHBondContact O-N 2.86Å; I307-Y361 PolarHBondContact N-O 3.38Å; I307-Y361 WeakPolarHBondContact O-CA 3.33Å; I307-Y361 VanDerWaalsContact O-CB 3.3Å; I307-Y361 WeakPolarHBondContact O-CB 3.21Å; I307-Y361 PolarHBondContact O-N 2.92Å
308	P	89.9	Confident	87	Confident	85 Å²	85	35.1 Å²	35.1	55%	0.552	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	125	172.2	29.4	-32.9	0	0	0	110.4	Y358	P308-Y358 HydrophobicContact CB-CD1 4.21Å
309	Q	86.9	Confident	86.9	Confident	44 Å²	44	42.2 Å²	42.2	21%	0.206	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	143.4	172	-175	-179.5	27.2	0	0	110.1	I307 S311 Y358 Q359 Y361	I307-Q309 PolarHBondContact O-N 2.86Å; Q309-S311 PolarHBondContact O-N 2.82Å; Q309-Y358 CarbonylContact O-C 3.54Å; Q309-Y358 WeakPolarHBondContact O-CA 3.41Å; Q309-Q359 HydrophobicContact CB-CG 4Å; Q309-Q359 PolarHBondContact N-O 3.26Å; Q309-Q359 PolarHBondContact O-N 2.9Å; Q309-Y361 HydrophobicContact CB-CG 4.44Å
310	L	87	Confident	86.7	Confident	54 Å²	54	43.8 Å²	43.8	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	123.6	173.7	-64.2	157	0	0	0	110	I313 Q329 Y358	L310-I313 HydrophobicContact CB-CD1 3.93Å; L310-I313 HydrophobicContact CB-CG1 3.69Å; L310-I313 HydrophobicContact CD1-CD1 3.86Å; L310-I313 HydrophobicContact CD1-CG1 4.14Å; L310-I313 HydrophobicContact CD2-CG1 4.2Å; L310-I313 HydrophobicContact CG-CD1 4.4Å; L310-I313 HydrophobicContact CG-CG1 4.22Å; L310-Q329 WeakPolarHBondContact O-CB 3.49Å; L310-Y358 HydrophobicContact CD2-CD1 4Å; L310-Y358 HydrophobicContact CD2-CE1 3.49Å; L310-Y358 VanDerWaalsContact CD2-CE1 3.49Å; L310-Y358 HydrophobicContact CG-CE1 4.34Å
311	S	84.3	Confident	86.5	Confident	32 Å²	32	46.7 Å²	46.7	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-52.7	174.1	-171.5	0	0	0	0	110.6	Q309 Q329 I357 Q359	Q309-S311 PolarHBondContact O-N 2.82Å; S311-Q329 PolarHBondContact O-N 2.81Å; S311-I357 WeakPolarHBondContact CB-O 3.39Å; S311-I357 PolarHBondContact N-O 3.18Å; S311-Q359 PolarHBondContact OG-OE1 2.82Å
312	V	87.3	Confident	86.6	Confident	30 Å²	30	49.2 Å²	49.2	18%	0.182	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.7	175.3	-179.2	0	0	0	0	108.6	P326 F327 T356 I357	V312-P326 HydrophobicContact CG1-CB 3.37Å; V312-F327 WeakPolarHBondContact CA-O 3.23Å; V312-T356 WeakPolarHBondContact O-CA 3.5Å; V312-I357 HydrophobicContact CB-CB 4.17Å; V312-I357 HydrophobicContact CB-CD1 4.37Å; V312-I357 HydrophobicContact CB-CG1 4.41Å; V312-I357 HydrophobicContact CG2-CD1 4.41Å; V312-I357 PolarHBondContact N-O 3.14Å; V312-I357 PolarHBondContact O-N 3.03Å
313	I	88.6	Confident	86.8	Confident	4 Å²	4	51 Å²	51	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.8	179.8	-53	171.5	0	0	0	109	L310 Y315 F327 Q329 V351 T356	L310-I313 HydrophobicContact CB-CD1 3.93Å; L310-I313 HydrophobicContact CB-CG1 3.69Å; L310-I313 HydrophobicContact CD1-CD1 3.86Å; L310-I313 HydrophobicContact CD1-CG1 4.14Å; L310-I313 HydrophobicContact CD2-CG1 4.2Å; L310-I313 HydrophobicContact CG-CD1 4.4Å; L310-I313 HydrophobicContact CG-CG1 4.22Å; I313-Y315 HydrophobicContact CB-CE2 4.13Å; I313-Y315 HydrophobicContact CG2-CD1 4.35Å; I313-Y315 HydrophobicContact CG2-CD2 3.85Å; I313-Y315 HydrophobicContact CG2-CE1 3.98Å; I313-Y315 HydrophobicContact CG2-CE2 3.42Å; I313-Y315 VanDerWaalsContact CG2-CE2 3.42Å; I313-Y315 HydrophobicContact CG2-CG 4.3Å; I313-F327 PolarHBondContact N-O 2.96Å; I313-F327 PolarHBondContact O-N 2.98Å; I313-Q329 HydrophobicContact CD1-CB 3.85Å; I313-Q329 HydrophobicContact CD1-CG 4Å; I313-Q329 HydrophobicContact CG1-CB 4.24Å; I313-V351 HydrophobicContact CG2-CG1 4.13Å; I313-V351 HydrophobicContact CG2-CG2 4.2Å; I313-T356 HydrophobicContact CG2-CG2 4.35Å
314	K	89.7	Confident	86.8	Confident	51 Å²	51	49.7 Å²	49.7	22%	0.222	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.5	164.8	-73.5	175.1	169	-173.5	0	108	V323 L324 N352 E355 T356	K314-V323 HydrophobicContact CB-CG1 3.92Å; K314-V323 HydrophobicContact CD-CG1 4.21Å; K314-V323 HydrophobicContact CG-CG1 4.43Å; K314-L324 CarbonylContact C-O 3.56Å; K314-L324 VanDerWaalsContact CA-O 3.27Å; K314-L324 WeakPolarHBondContact CA-O 3.45Å; K314-N352 HydrophobicContact CB-CB 4.38Å; K314-N352 PolarHBondContact O-N 3.34Å; K314-E355 HydrophobicContact CD-CB 3.42Å; K314-E355 VanDerWaalsContact CD-CB 3.42Å; K314-E355 HydrophobicContact CD-CG 4.42Å; K314-E355 WeakPolarHBondContact CD-OE2 3.45Å; K314-E355 WeakPolarHBondContact CE-OE2 3.45Å; K314-E355 IonicContact NZ-OE2 3.17Å; K314-E355 PolarHBondContact NZ-OE2 2.98Å; K314-T356 HydrophobicContact CB-CG2 4.46Å
315	Y	88.9	Confident	86.3	Confident	21 Å²	21	51.2 Å²	51.2	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141	-177.8	-63.8	-91.1	0	0	0	110.9	I313 V323 L324 F327 V335 P337 F349 E350 V351	I313-Y315 HydrophobicContact CB-CE2 4.13Å; I313-Y315 HydrophobicContact CG2-CD1 4.35Å; I313-Y315 HydrophobicContact CG2-CD2 3.85Å; I313-Y315 HydrophobicContact CG2-CE1 3.98Å; I313-Y315 HydrophobicContact CG2-CE2 3.42Å; I313-Y315 VanDerWaalsContact CG2-CE2 3.42Å; I313-Y315 HydrophobicContact CG2-CG 4.3Å; Y315-V323 CarbonylContact O-C 3.58Å; Y315-L324 PolarHBondContact N-O 3.17Å; Y315-L324 WeakPolarHBondContact O-CA 3.45Å; Y315-L324 VanDerWaalsContact O-CB 3.27Å; Y315-L324 WeakPolarHBondContact O-CB 3.43Å; Y315-L324 PolarHBondContact O-N 2.82Å; Y315-F327 AromaticContact CD2-CD2 3.73Å; Y315-F327 HydrophobicContact CD2-CD2 3.73Å; Y315-F327 HydrophobicContact CD2-CE2 4.04Å; Y315-F327 AromaticContact CE2-CD2 3.88Å; Y315-F327 HydrophobicContact CE2-CD2 3.88Å; Y315-F327 HydrophobicContact CE2-CE2 4.49Å; Y315-V335 PolarHBondContact OH-O 3.26Å; Y315-P337 HydrophobicContact CD2-CG 3.53Å; Y315-P337 HydrophobicContact CE2-CG 3.88Å; Y315-P337 HydrophobicContact CG-CG 3.96Å; Y315-F349 HydrophobicContact CD1-CB 3.96Å; Y315-F349 HydrophobicContact CG-CB 4.1Å; Y315-E350 CarbonylContact C-O 3.52Å; Y315-E350 WeakPolarHBondContact CA-O 3.42Å; Y315-E350 WeakPolarHBondContact CB-O 3.23Å; Y315-V351 HydrophobicContact CD1-CG2 3.8Å; Y315-V351 HydrophobicContact CE1-CG2 3.58Å
316	D	89.1	Confident	86.3	Confident	45 Å²	45	53.1 Å²	53.1	24%	0.241	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	131.1	173.6	-63.9	-24.5	0	0	0	110.4	L318 V323 F349 E350 N352	D316-L318 PolarHBondContact O-N 3.41Å; D316-V323 WeakPolarHBondContact OD1-CG2 3.38Å; D316-F349 WeakPolarHBondContact O-CA 3.25Å; D316-E350 PolarHBondContact N-O 2.98Å; D316-E350 PolarHBondContact O-N 3.2Å; D316-N352 WeakPolarHBondContact OD1-CB 3.49Å; D316-N352 PolarHBondContact OD1-ND2 3.38Å; D316-N352 WeakPolarHBondContact OD2-CB 3.45Å; D316-N352 PolarHBondContact OD2-ND2 2.96Å
317	C	88.1	Confident	86.1	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	109.7	172	-173.8	0	0	0	0	110.3	K319 C320 G321 F322 L324 C340 F349	C317-K319 PolarHBondContact O-N 3.46Å; C317-C320 PolarHBondContact O-N 2.97Å; C317-G321 WeakPolarHBondContact O-CA 3.36Å; C317-G321 PolarHBondContact O-N 3.45Å; C317-F322 PolarHBondContact N-O 3.15Å; C317-L324 HydrophobicContact CB-CD1 4.38Å; C317-C340 HydrophobicContact CB-CB 4.16Å; C317-F349 HydrophobicContact CB-CD1 4.22Å; C317-F349 HydrophobicContact CB-CE1 4.3Å
318	L	86	Confident	85.9	Confident	95 Å²	95	54.2 Å²	54.2	50%	0.497	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.2	179.7	-66.6	177.5	0	0	0	115	D316 P348 E350	D316-L318 PolarHBondContact O-N 3.41Å; L318-P348 HydrophobicContact CD1-CG 4.21Å; L318-E350 HydrophobicContact CD1-CG 4.23Å; L318-E350 HydrophobicContact CD2-CG 4.09Å; L318-E350 HydrophobicContact CG-CG 4.36Å
319	K	85.1	Confident	85.2	Confident	150 Å²	150	51.9 Å²	51.9	65%	0.652	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-31.3	-178.7	-61.1	-163.8	-168.1	179.9	0	114.3	C317	C317-K319 PolarHBondContact O-N 3.46Å
320	C	84.7	Confident	84.5	Confident	50 Å²	50	53.7 Å²	53.7	34%	0.338	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-7.5	-176.7	61.4	0	0	0	0	114.1	C317 F322 C340 C343	C317-C320 PolarHBondContact O-N 2.97Å; C320-F322 PolarHBondContact O-N 3.43Å; C320-F322 VanDerWaalsContact SG-CB 3.52Å; C320-C340 PolarHBondContact SG-SG 3.25Å; C320-C343 HydrophobicContact CB-CB 4.18Å; C320-C343 VanDerWaalsContact SG-SG 3.68Å
321	G	83	Confident	83.6	Confident	61 Å²	61	54 Å²	54	63%	0.629	32%	0.321	S	S	*	.			trans	71.3	10.4	-175.9	0	0	0	0	0	114	C317	C317-G321 WeakPolarHBondContact O-CA 3.36Å; C317-G321 PolarHBondContact O-N 3.45Å
322	F	85.3	Confident	82.8	Confident	74 Å²	74	57.6 Å²	57.6	33%	0.325	34%	0.335	S	S	.	.			trans	-81.8	130.2	-178.8	-173.9	-98.9	0	0	0	111.5	C317 C320 L324 P341 E342	C317-F322 PolarHBondContact N-O 3.15Å; C320-F322 PolarHBondContact O-N 3.43Å; C320-F322 VanDerWaalsContact SG-CB 3.52Å; F322-L324 HydrophobicContact CD1-CD2 4Å; F322-L324 HydrophobicContact CE1-CD2 4.43Å; F322-L324 PolarHBondContact O-N 2.86Å; F322-P341 HydrophobicContact CD1-CG 4.09Å; F322-P341 HydrophobicContact CE1-CG 3.7Å; F322-E342 HydrophobicContact CB-CG 4.28Å; F322-E342 WeakPolarHBondContact CB-OE2 3.19Å; F322-E342 HydrophobicContact CD1-CG 4.25Å; F322-E342 HydrophobicContact CD2-CG 3.89Å; F322-E342 WeakPolarHBondContact CD2-OE1 3.26Å; F322-E342 HydrophobicContact CE2-CG 4.28Å; F322-E342 WeakPolarHBondContact CE2-OE1 3.13Å; F322-E342 HydrophobicContact CG-CG 3.87Å
323	V	87.4	Confident	82.2	Confident	47 Å²	47	63.4 Å²	63.4	29%	0.285	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	114.1	174.9	-167.1	0	0	0	0	109.9	K314 Y315 D316	K314-V323 HydrophobicContact CB-CG1 3.92Å; K314-V323 HydrophobicContact CD-CG1 4.21Å; K314-V323 HydrophobicContact CG-CG1 4.43Å; Y315-V323 CarbonylContact O-C 3.58Å; D316-V323 WeakPolarHBondContact OD1-CG2 3.38Å
324	L	84.9	Confident	81.3	Confident	6 Å²	6	69.5 Å²	69.5	3%	0.031	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144.6	172.4	-54.1	171.8	0	0	0	110.7	K314 Y315 C317 F322 F327 P337 C340 P341 F349	K314-L324 CarbonylContact C-O 3.56Å; K314-L324 VanDerWaalsContact CA-O 3.27Å; K314-L324 WeakPolarHBondContact CA-O 3.45Å; Y315-L324 PolarHBondContact N-O 3.17Å; Y315-L324 WeakPolarHBondContact O-CA 3.45Å; Y315-L324 VanDerWaalsContact O-CB 3.27Å; Y315-L324 WeakPolarHBondContact O-CB 3.43Å; Y315-L324 PolarHBondContact O-N 2.82Å; C317-L324 HydrophobicContact CB-CD1 4.38Å; F322-L324 HydrophobicContact CD1-CD2 4Å; F322-L324 HydrophobicContact CE1-CD2 4.43Å; F322-L324 PolarHBondContact O-N 2.86Å; L324-F327 HydrophobicContact CB-CE2 4.15Å; L324-P337 HydrophobicContact CD1-CB 4.3Å; L324-P337 HydrophobicContact CD1-CG 4.16Å; L324-C340 HydrophobicContact CD1-CB 4.49Å; L324-C340 HydrophobicContact CD2-CB 4.02Å; L324-P341 HydrophobicContact CD2-CG 4.16Å; L324-F349 HydrophobicContact CD1-CB 4.39Å; L324-F349 HydrophobicContact CD1-CD1 3.17Å; L324-F349 HydrophobicContact CD1-CD2 4.33Å; L324-F349 HydrophobicContact CD1-CE1 3.3Å; L324-F349 HydrophobicContact CD1-CE2 4.4Å; L324-F349 HydrophobicContact CD1-CG 3.73Å; L324-F349 HydrophobicContact CD1-CZ 3.92Å
325	G	74.3	Confident	80.7	Confident	38 Å²	38	69.6 Å²	69.6	39%	0.392	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.1	-175.3	176.1	0	0	0	0	0	111.5
326	P	83.6	Confident	80.1	Confident	89 Å²	89	75.5 Å²	75.5	58%	0.578	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	cis	-80	135.5	18.1	29.6	-35	0	0	0	114.8	V312	V312-P326 HydrophobicContact CG1-CB 3.37Å
327	F	85.5	Confident	79.7	Confident	59 Å²	59	74 Å²	74	26%	0.259	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.3	167.8	-62.3	-75.8	0	0	0	109.8	V312 I313 Y315 L324 V335 P337	V312-F327 WeakPolarHBondContact CA-O 3.23Å; I313-F327 PolarHBondContact N-O 2.96Å; I313-F327 PolarHBondContact O-N 2.98Å; Y315-F327 AromaticContact CD2-CD2 3.73Å; Y315-F327 HydrophobicContact CD2-CD2 3.73Å; Y315-F327 HydrophobicContact CD2-CE2 4.04Å; Y315-F327 AromaticContact CE2-CD2 3.88Å; Y315-F327 HydrophobicContact CE2-CD2 3.88Å; Y315-F327 HydrophobicContact CE2-CE2 4.49Å; L324-F327 HydrophobicContact CB-CE2 4.15Å; F327-V335 HydrophobicContact CB-CG1 4.28Å; F327-V335 HydrophobicContact CD1-CG1 4.03Å; F327-V335 HydrophobicContact CG-CG1 4.38Å; F327-P337 HydrophobicContact CD2-CG 4.49Å; F327-P337 HydrophobicContact CE1-CB 4.48Å; F327-P337 HydrophobicContact CE2-CB 3.73Å; F327-P337 HydrophobicContact CE2-CG 3.84Å; F327-P337 HydrophobicContact CZ-CB 3.63Å; F327-P337 HydrophobicContact CZ-CG 4.27Å
328	V	84.1	Confident	79.4	Confident	101 Å²	101	76.4 Å²	76.4	61%	0.612	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.8	176.6	-160.5	0	0	0	0	108.2
329	Q	75.5	Confident	79.4	Confident	36 Å²	36	79.3 Å²	79.3	17%	0.168	45%	0.446	C	S	.	.			trans	-87.8	112.6	-177.4	-178	55.6	39.1	0	0	109.7	L310 S311 I313 Q333 V335	L310-Q329 WeakPolarHBondContact O-CB 3.49Å; S311-Q329 PolarHBondContact O-N 2.81Å; I313-Q329 HydrophobicContact CD1-CB 3.85Å; I313-Q329 HydrophobicContact CD1-CG 4Å; I313-Q329 HydrophobicContact CG1-CB 4.24Å; Q329-Q333 VanDerWaalsContact NE2-C 3.33Å; Q329-Q333 PolarHBondContact NE2-O 3.16Å; Q329-V335 VanDerWaalsContact OE1-N 3.1Å
330	T	71.1	Confident	79.3	Confident	82 Å²	82	72.2 Å²	72.2	50%	0.503	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-81.1	141.8	170.9	-51.6	0	0	0	0	109.2	H332 Q333	T330-H332 PolarHBondContact O-N 3.34Å; T330-Q333 PolarHBondContact O-N 3.29Å
331	A	68.2	Low	79.4	Confident	60 Å²	60	74.2 Å²	74.2	50%	0.496	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.4	-176.7	0	0	0	0	0	114.8
332	H	69.4	Low	79.5	Confident	108 Å²	108	77 Å²	77	50%	0.5	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-20.1	-172.2	-50.8	-62.1	0	0	0	114.8	T330 N409	T330-H332 PolarHBondContact O-N 3.34Å; H332-N409 PolarHBondContact CE1-OD1 3.4Å; H332-N409 PolarHBondContact ND1-OD1 2.66Å
333	Q	73.1	Confident	79.4	Confident	152 Å²	152	75.9 Å²	75.9	71%	0.71	42%	0.424	S	S	*	.	B	Isolated β-bridge	trans	-153.9	128.9	-172.6	-173.5	173.8	12	0	0	112.1	Q329 T330 V335	Q329-Q333 VanDerWaalsContact NE2-C 3.33Å; Q329-Q333 PolarHBondContact NE2-O 3.16Å; T330-Q333 PolarHBondContact O-N 3.29Å; Q333-V335 PolarHBondContact O-N 3.09Å
334	E	70.5	Confident	79.3	Confident	133 Å²	133	81.3 Å²	81.3	62%	0.621	45%	0.447	S	S	*	.			trans	-62.3	120.5	170.7	-68.2	-179.4	-175.1	0	0	111	K336	E334-K336 WeakPolarHBondContact OE2-CE 3.29Å; E334-K336 IonicContact OE2-NZ 3.88Å; E334-K336 PolarHBondContact OE2-NZ 3.3Å
335	V	77.2	Confident	79.1	Confident	52 Å²	52	81.6 Å²	81.6	32%	0.315	45%	0.449	S	S	.	.			trans	-91.8	108.3	174.2	-177.9	0	0	0	0	108.6	Y315 F327 Q329 Q333	Y315-V335 PolarHBondContact OH-O 3.26Å; F327-V335 HydrophobicContact CB-CG1 4.28Å; F327-V335 HydrophobicContact CD1-CG1 4.03Å; F327-V335 HydrophobicContact CG-CG1 4.38Å; Q329-V335 VanDerWaalsContact OE1-N 3.1Å; Q333-V335 PolarHBondContact O-N 3.09Å
336	K	76.4	Confident	79.5	Confident	145 Å²	145	82.6 Å²	82.6	63%	0.63	46%	0.459	S	S	*	.			trans	-104.3	129.2	174.5	-67.2	178.1	-177.9	164.4	0	109.9	E334	E334-K336 WeakPolarHBondContact OE2-CE 3.29Å; E334-K336 IonicContact OE2-NZ 3.88Å; E334-K336 PolarHBondContact OE2-NZ 3.3Å
337	P	79.9	Confident	78.8	Confident	15 Å²	15	78.9 Å²	78.9	10%	0.097	44%	0.437	C	S	.	.			trans	-61.4	139.7	172.6	17	-23.9	0	0	0	110.4	Y315 L324 F327 F349	Y315-P337 HydrophobicContact CD2-CG 3.53Å; Y315-P337 HydrophobicContact CE2-CG 3.88Å; Y315-P337 HydrophobicContact CG-CG 3.96Å; L324-P337 HydrophobicContact CD1-CB 4.3Å; L324-P337 HydrophobicContact CD1-CG 4.16Å; F327-P337 HydrophobicContact CD2-CG 4.49Å; F327-P337 HydrophobicContact CE1-CB 4.48Å; F327-P337 HydrophobicContact CE2-CB 3.73Å; F327-P337 HydrophobicContact CE2-CG 3.84Å; F327-P337 HydrophobicContact CZ-CB 3.63Å; F327-P337 HydrophobicContact CZ-CG 4.27Å; P337-F349 HydrophobicContact CB-CD2 4.22Å; P337-F349 HydrophobicContact CB-CE2 4.11Å; P337-F349 HydrophobicContact CG-CB 4.45Å; P337-F349 HydrophobicContact CG-CD2 3.6Å; P337-F349 HydrophobicContact CG-CE2 4.01Å; P337-F349 HydrophobicContact CG-CG 4.1Å; P337-F349 WeakPolarHBondContact O-CE2 3.36Å
338	G	81.8	Confident	78.6	Confident	51 Å²	51	80.9 Å²	80.9	53%	0.526	46%	0.456	S	S	.	.			trans	-84.2	-39.9	177.4	0	0	0	0	0	113.6
339	F	86.1	Confident	78.7	Confident	157 Å²	157	77.8 Å²	77.8	69%	0.689	43%	0.434	S	S	*	.			trans	-145.5	140.4	-173	-59.9	-80.1	0	0	0	111.1
340	C	83.5	Confident	79.2	Confident	1 Å²	1	81.8 Å²	81.8	1%	0.007	45%	0.453	C	S	.	.			trans	-74.8	133.2	169	175	0	0	0	0	110.8	C317 C320 L324 E342 Q344 S345 F349	C317-C340 HydrophobicContact CB-CB 4.16Å; C320-C340 PolarHBondContact SG-SG 3.25Å; L324-C340 HydrophobicContact CD1-CB 4.49Å; L324-C340 HydrophobicContact CD2-CB 4.02Å; C340-E342 VanDerWaalsContact C-N 3.31Å; C340-E342 PolarHBondContact O-N 2.92Å; C340-Q344 WeakPolarHBondContact O-CA 2.66Å; C340-Q344 PolarHBondContact O-N 3.05Å; C340-S345 PolarHBondContact N-O 3.14Å; C340-S345 VanDerWaalsContact N-O 3.15Å; C340-F349 HydrophobicContact CB-CE1 4.05Å
341	P	86.3	Confident	80	Confident	92 Å²	92	80.6 Å²	80.6	60%	0.597	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-27.3	-178.5	28	-32.8	0	0	0	113.2	F322 L324	F322-P341 HydrophobicContact CD1-CG 4.09Å; F322-P341 HydrophobicContact CE1-CG 3.7Å; L324-P341 HydrophobicContact CD2-CG 4.16Å
342	E	85.2	Confident	80.9	Confident	119 Å²	119	78.6 Å²	78.6	56%	0.556	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-48.9	-177.1	-67.2	-163.3	155.6	0	0	113.3	F322 C340	F322-E342 HydrophobicContact CB-CG 4.28Å; F322-E342 WeakPolarHBondContact CB-OE2 3.19Å; F322-E342 HydrophobicContact CD1-CG 4.25Å; F322-E342 HydrophobicContact CD2-CG 3.89Å; F322-E342 WeakPolarHBondContact CD2-OE1 3.26Å; F322-E342 HydrophobicContact CE2-CG 4.28Å; F322-E342 WeakPolarHBondContact CE2-OE1 3.13Å; F322-E342 HydrophobicContact CG-CG 3.87Å; C340-E342 VanDerWaalsContact C-N 3.31Å; C340-E342 PolarHBondContact O-N 2.92Å
343	C	83.7	Confident	81.8	Confident	50 Å²	50	78.1 Å²	78.1	34%	0.338	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-1.2	-174.9	64.6	0	0	0	0	114.1	C320 S345	C320-C343 HydrophobicContact CB-CB 4.18Å; C320-C343 VanDerWaalsContact SG-SG 3.68Å; C343-S345 PolarHBondContact O-N 3.15Å; C343-S345 PolarHBondContact SG-OG 3.47Å
344	Q	84.3	Confident	82.6	Confident	162 Å²	162	79.6 Å²	79.6	76%	0.757	44%	0.439	S	S	*	.			trans	52.4	18.4	-175.3	-61.5	-176.8	-4.8	0	0	114.1	C340	C340-Q344 WeakPolarHBondContact O-CA 2.66Å; C340-Q344 PolarHBondContact O-N 3.05Å
345	S	81.7	Confident	83.3	Confident	12 Å²	12	77.4 Å²	77.4	8%	0.084	43%	0.428	C	S	.	.			trans	-81.9	131.4	-179	80	0	0	0	0	110.3	C340 C343 G347	C340-S345 PolarHBondContact N-O 3.14Å; C340-S345 VanDerWaalsContact N-O 3.15Å; C343-S345 PolarHBondContact O-N 3.15Å; C343-S345 PolarHBondContact SG-OG 3.47Å; S345-G347 PolarHBondContact O-N 2.94Å
346	G	82.2	Confident	83.7	Confident	58 Å²	58	75.4 Å²	75.4	60%	0.598	42%	0.416	S	S	*	.			trans	-89.7	56.6	165.8	0	0	0	0	0	110.1
347	G	70	Confident	84.3	Confident	11 Å²	11	73.3 Å²	73.3	11%	0.113	41%	0.411	C	S	.	.			trans	-95.1	167.4	-177.9	0	0	0	0	0	112.6	S345 F349	S345-G347 PolarHBondContact O-N 2.94Å; G347-F349 VanDerWaalsContact O-CD2 3.24Å; G347-F349 WeakPolarHBondContact O-CD2 3.5Å; G347-F349 WeakPolarHBondContact O-CE2 3.03Å; G347-F349 WeakPolarHBondContact O-CZ 3.22Å; G347-F349 PolarHBondContact O-N 3.22Å
348	P	80.8	Confident	84.7	Confident	102 Å²	102	77.3 Å²	77.3	66%	0.662	42%	0.424	S	S	*	.			trans	-58.5	133.7	171.5	25.6	-31.2	0	0	0	109	L318	L318-P348 HydrophobicContact CD1-CG 4.21Å
349	F	85.9	Confident	85	Confident	35 Å²	35	77.4 Å²	77.4	15%	0.154	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	129.9	177.2	-50.6	-70.9	0	0	0	107.4	Y315 D316 C317 L324 P337 C340 G347	Y315-F349 HydrophobicContact CD1-CB 3.96Å; Y315-F349 HydrophobicContact CG-CB 4.1Å; D316-F349 WeakPolarHBondContact O-CA 3.25Å; C317-F349 HydrophobicContact CB-CD1 4.22Å; C317-F349 HydrophobicContact CB-CE1 4.3Å; L324-F349 HydrophobicContact CD1-CB 4.39Å; L324-F349 HydrophobicContact CD1-CD1 3.17Å; L324-F349 HydrophobicContact CD1-CD2 4.33Å; L324-F349 HydrophobicContact CD1-CE1 3.3Å; L324-F349 HydrophobicContact CD1-CE2 4.4Å; L324-F349 HydrophobicContact CD1-CG 3.73Å; L324-F349 HydrophobicContact CD1-CZ 3.92Å; P337-F349 HydrophobicContact CB-CD2 4.22Å; P337-F349 HydrophobicContact CB-CE2 4.11Å; P337-F349 HydrophobicContact CG-CB 4.45Å; P337-F349 HydrophobicContact CG-CD2 3.6Å; P337-F349 HydrophobicContact CG-CE2 4.01Å; P337-F349 HydrophobicContact CG-CG 4.1Å; P337-F349 WeakPolarHBondContact O-CE2 3.36Å; C340-F349 HydrophobicContact CB-CE1 4.05Å; G347-F349 VanDerWaalsContact O-CD2 3.24Å; G347-F349 WeakPolarHBondContact O-CD2 3.5Å; G347-F349 WeakPolarHBondContact O-CE2 3.03Å; G347-F349 WeakPolarHBondContact O-CZ 3.22Å; G347-F349 PolarHBondContact O-N 3.22Å
350	E	87.1	Confident	85.3	Confident	120 Å²	120	73.7 Å²	73.7	56%	0.561	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	150.3	174.7	-75.7	-176.8	177.1	0	0	109.6	Y315 D316 L318	Y315-E350 CarbonylContact C-O 3.52Å; Y315-E350 WeakPolarHBondContact CA-O 3.42Å; Y315-E350 WeakPolarHBondContact CB-O 3.23Å; D316-E350 PolarHBondContact N-O 2.98Å; D316-E350 PolarHBondContact O-N 3.2Å; L318-E350 HydrophobicContact CD1-CG 4.23Å; L318-E350 HydrophobicContact CD2-CG 4.09Å; L318-E350 HydrophobicContact CG-CG 4.36Å
351	V	87.4	Confident	85.6	Confident	58 Å²	58	76.4 Å²	76.4	35%	0.352	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.1	179.3	175.2	0	0	0	0	108.5	I313 Y315 T353 T356	I313-V351 HydrophobicContact CG2-CG1 4.13Å; I313-V351 HydrophobicContact CG2-CG2 4.2Å; Y315-V351 HydrophobicContact CD1-CG2 3.8Å; Y315-V351 HydrophobicContact CE1-CG2 3.58Å; V351-T353 PolarHBondContact O-N 3.3Å; V351-T356 HydrophobicContact CG1-CG2 3.49Å; V351-T356 VanDerWaalsContact CG1-CG2 3.49Å
352	N	87.3	Confident	85.8	Confident	18 Å²	18	72.2 Å²	72.2	10%	0.096	38%	0.382	C	S	.	.			trans	-81.4	96.7	177.1	-172.5	-38.5	0	0	0	110	K314 D316 E354 E355 T356	K314-N352 HydrophobicContact CB-CB 4.38Å; K314-N352 PolarHBondContact O-N 3.34Å; D316-N352 WeakPolarHBondContact OD1-CB 3.49Å; D316-N352 PolarHBondContact OD1-ND2 3.38Å; D316-N352 WeakPolarHBondContact OD2-CB 3.45Å; D316-N352 PolarHBondContact OD2-ND2 2.96Å; N352-E354 PolarHBondContact O-N 3.25Å; N352-E354 PolarHBondContact OD1-N 3.2Å; N352-E355 PolarHBondContact O-N 3.45Å; N352-E355 PolarHBondContact OD1-N 3.48Å; N352-T356 WeakPolarHBondContact O-CB 3.32Å; N352-T356 WeakPolarHBondContact O-CG2 3.4Å; N352-T356 PolarHBondContact O-N 3.44Å; N352-T356 PolarHBondContact O-OG1 3.39Å; N352-T356 VanDerWaalsContact O-OG1 3.1Å
353	T	88	Confident	86	Confident	98 Å²	98	67.3 Å²	67.3	60%	0.601	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.3	-176	-58.2	0	0	0	0	113.4	V351 T356	V351-T353 PolarHBondContact O-N 3.3Å; T353-T356 WeakPolarHBondContact CA-OG1 3.47Å; T353-T356 PolarHBondContact O-OG1 3.15Å; T353-T356 VanDerWaalsContact O-OG1 3.07Å
354	E	88.4	Confident	86.3	Confident	183 Å²	183	65 Å²	65	86%	0.855	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-42.5	-175.2	-60.5	-176.6	175.7	0	0	112.4	N352	N352-E354 PolarHBondContact O-N 3.25Å; N352-E354 PolarHBondContact OD1-N 3.2Å
355	E	85.7	Confident	86.6	Confident	87 Å²	87	57.9 Å²	57.9	41%	0.407	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-9.7	-176.3	-55.8	-163.7	154.2	0	0	113.5	K314 N352	K314-E355 HydrophobicContact CD-CB 3.42Å; K314-E355 VanDerWaalsContact CD-CB 3.42Å; K314-E355 HydrophobicContact CD-CG 4.42Å; K314-E355 WeakPolarHBondContact CD-OE2 3.45Å; K314-E355 WeakPolarHBondContact CE-OE2 3.45Å; K314-E355 IonicContact NZ-OE2 3.17Å; K314-E355 PolarHBondContact NZ-OE2 2.98Å; N352-E355 PolarHBondContact O-N 3.45Å; N352-E355 PolarHBondContact OD1-N 3.48Å
356	T	86.8	Confident	87	Confident	9 Å²	9	57.5 Å²	57.5	6%	0.055	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.2	134.1	174.1	52.6	0	0	0	0	111.7	V312 I313 K314 V351 N352 T353 Y358	V312-T356 WeakPolarHBondContact O-CA 3.5Å; I313-T356 HydrophobicContact CG2-CG2 4.35Å; K314-T356 HydrophobicContact CB-CG2 4.46Å; V351-T356 HydrophobicContact CG1-CG2 3.49Å; V351-T356 VanDerWaalsContact CG1-CG2 3.49Å; N352-T356 WeakPolarHBondContact O-CB 3.32Å; N352-T356 WeakPolarHBondContact O-CG2 3.4Å; N352-T356 PolarHBondContact O-N 3.44Å; N352-T356 PolarHBondContact O-OG1 3.39Å; N352-T356 VanDerWaalsContact O-OG1 3.1Å; T353-T356 WeakPolarHBondContact CA-OG1 3.47Å; T353-T356 PolarHBondContact O-OG1 3.15Å; T353-T356 VanDerWaalsContact O-OG1 3.07Å; T356-Y358 VanDerWaalsContact OG1-CE2 3.22Å; T356-Y358 WeakPolarHBondContact OG1-CE2 3.24Å; T356-Y358 VanDerWaalsContact OG1-CZ 3.31Å; T356-Y358 PolarHBondContact OG1-OH 2.76Å
357	I	88.5	Confident	87.3	Confident	101 Å²	101	57.5 Å²	57.5	52%	0.518	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.3	177.2	-57.8	175.1	0	0	0	108.5	S311 V312	S311-I357 WeakPolarHBondContact CB-O 3.39Å; S311-I357 PolarHBondContact N-O 3.18Å; V312-I357 HydrophobicContact CB-CB 4.17Å; V312-I357 HydrophobicContact CB-CD1 4.37Å; V312-I357 HydrophobicContact CB-CG1 4.41Å; V312-I357 HydrophobicContact CG2-CD1 4.41Å; V312-I357 PolarHBondContact N-O 3.14Å; V312-I357 PolarHBondContact O-N 3.03Å
358	Y	88.8	Confident	88.2	Confident	99 Å²	99	57.8 Å²	57.8	39%	0.388	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	149.6	173.7	-59.3	-87.1	0	0	0	111	P308 Q309 L310 T356	P308-Y358 HydrophobicContact CB-CD1 4.21Å; Q309-Y358 CarbonylContact O-C 3.54Å; Q309-Y358 WeakPolarHBondContact O-CA 3.41Å; L310-Y358 HydrophobicContact CD2-CD1 4Å; L310-Y358 HydrophobicContact CD2-CE1 3.49Å; L310-Y358 VanDerWaalsContact CD2-CE1 3.49Å; L310-Y358 HydrophobicContact CG-CE1 4.34Å; T356-Y358 VanDerWaalsContact OG1-CE2 3.22Å; T356-Y358 WeakPolarHBondContact OG1-CE2 3.24Å; T356-Y358 VanDerWaalsContact OG1-CZ 3.31Å; T356-Y358 PolarHBondContact OG1-OH 2.76Å
359	Q	88	Confident	88.3	Confident	53 Å²	53	53.2 Å²	53.2	25%	0.248	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.7	171.6	69.1	-174.5	14.2	0	0	109.5	Q309 S311	Q309-Q359 HydrophobicContact CB-CG 4Å; Q309-Q359 PolarHBondContact N-O 3.26Å; Q309-Q359 PolarHBondContact O-N 2.9Å; S311-Q359 PolarHBondContact OG-OE1 2.82Å
360	N	91.7	Very high	87.6	Confident	80 Å²	80	56.1 Å²	56.1	43%	0.428	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136	176.9	-64.3	-20.7	0	0	0	110.5	I306 L387 A388 C391	I306-N360 HydrophobicContact CG2-CB 3.85Å; N360-L387 WeakPolarHBondContact O-CA 3.25Å; N360-A388 PolarHBondContact O-N 3.07Å; N360-C391 HydrophobicContact CB-CB 4.33Å
361	Y	90.8	Very high	86.8	Confident	58 Å²	58	56.5 Å²	56.5	23%	0.227	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133	178.2	174.6	-85.3	0	0	0	109.6	I307 Q309 C363 I385 L387	I307-Y361 PolarHBondContact N-O 3.38Å; I307-Y361 WeakPolarHBondContact O-CA 3.33Å; I307-Y361 VanDerWaalsContact O-CB 3.3Å; I307-Y361 WeakPolarHBondContact O-CB 3.21Å; I307-Y361 PolarHBondContact O-N 2.92Å; Q309-Y361 HydrophobicContact CB-CG 4.44Å; Y361-C363 HydrophobicContact CE1-CB 4.23Å; Y361-I385 HydrophobicContact CD2-CG2 3.76Å; Y361-I385 HydrophobicContact CE2-CB 4.3Å; Y361-I385 HydrophobicContact CE2-CD1 4.04Å; Y361-I385 HydrophobicContact CE2-CG1 4.01Å; Y361-I385 HydrophobicContact CE2-CG2 3.35Å; Y361-L387 HydrophobicContact CD2-CD2 3.96Å
362	Q	88.8	Confident	86.3	Confident	3 Å²	3	59.3 Å²	59.3	1%	0.014	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	135.2	174	-172.9	175.7	36.8	0	0	109.5	T304 V364 L386 C391 D392	T304-Q362 PolarHBondContact O-NE2 2.69Å; T304-Q362 VanDerWaalsContact O-NE2 3.11Å; Q362-V364 HydrophobicContact CG-CG2 4.18Å; Q362-L386 HydrophobicContact CB-CB 4.33Å; Q362-L386 PolarHBondContact N-O 2.77Å; Q362-L386 PolarHBondContact O-N 2.66Å; Q362-C391 HydrophobicContact CB-CB 4.37Å; Q362-D392 PolarHBondContact NE2-OD1 3.33Å; Q362-D392 VanDerWaalsContact NE2-OD1 3.15Å
363	C	89.5	Confident	85.8	Confident	17 Å²	17	59.9 Å²	59.9	12%	0.115	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.1	174.8	-171.4	0	0	0	0	109.8	T304 Y361	T304-C363 HydrophobicContact CG2-CB 3.89Å; T304-C363 PolarHBondContact N-O 3.06Å; T304-C363 PolarHBondContact OG1-N 3.39Å; T304-C363 PolarHBondContact OG1-O 2.91Å; Y361-C363 HydrophobicContact CE1-CB 4.23Å
364	V	89.9	Confident	85.1	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132	-174.6	-179.9	0	0	0	0	109.5	V300 T302 T303 Q362 V366 C384 L386	V300-V364 HydrophobicContact CB-CG1 4.16Å; V300-V364 HydrophobicContact CG1-CG1 3.32Å; V300-V364 HydrophobicContact CG2-CG1 3.8Å; T302-V364 WeakPolarHBondContact O-CA 3.23Å; T303-V364 HydrophobicContact CG2-CG1 4.13Å; T303-V364 HydrophobicContact CG2-CG2 4.09Å; Q362-V364 HydrophobicContact CG-CG2 4.18Å; V364-V366 HydrophobicContact CG1-CG2 4.39Å; V364-C384 PolarHBondContact N-O 2.83Å; V364-C384 PolarHBondContact O-N 3.25Å; V364-L386 HydrophobicContact CG2-CD1 3.66Å; V364-L386 HydrophobicContact CG2-CG 3.95Å
365	T	90.7	Very high	84.4	Confident	13 Å²	13	54.6 Å²	54.6	8%	0.08	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.7	176.1	64.1	0	0	0	0	110.3	T301 T302 D383	T301-T365 PolarHBondContact N-O 3.16Å; T301-T365 PolarHBondContact OG1-O 2.9Å; T301-T365 PolarHBondContact OG1-OG1 3.38Å; T302-T365 WeakPolarHBondContact CB-OG1 3.23Å; T302-T365 PolarHBondContact N-OG1 2.95Å; T302-T365 VanDerWaalsContact N-OG1 3.07Å; T302-T365 PolarHBondContact O-N 2.86Å; T302-T365 PolarHBondContact O-OG1 3.17Å; T302-T365 VanDerWaalsContact OG1-CG2 3.29Å; T302-T365 WeakPolarHBondContact OG1-CG2 3.37Å; T302-T365 PolarHBondContact OG1-OG1 2.72Å; T365-D383 WeakPolarHBondContact CG2-OD1 3.19Å
366	V	91.3	Very high	83.9	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.6	-179.1	-174.9	0	0	0	0	109.5	I282 V299 V300 V364 S381 K382 C384 I400	I282-V366 HydrophobicContact CD1-CG1 4.19Å; V299-V366 WeakPolarHBondContact O-CA 3.34Å; V300-V366 HydrophobicContact CG2-CG2 4.41Å; V364-V366 HydrophobicContact CG1-CG2 4.39Å; V366-S381 CarbonylContact O-C 3.59Å; V366-S381 WeakPolarHBondContact O-CA 3.29Å; V366-K382 PolarHBondContact N-O 3.36Å; V366-K382 PolarHBondContact O-N 2.93Å; V366-C384 HydrophobicContact CG2-CB 4.31Å; V366-I400 HydrophobicContact CG1-CG1 4.46Å; V366-I400 HydrophobicContact CG2-CD1 3.85Å
367	Q	88.7	Confident	83.8	Confident	57 Å²	57	61.6 Å²	61.6	27%	0.266	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	150.9	179.7	-171	176.7	38.6	0	0	111.4	G298 V299 T301 S369 P379	G298-Q367 CarbonylContact C-O 3.55Å; G298-Q367 WeakPolarHBondContact CA-O 3.37Å; V299-Q367 PolarHBondContact N-O 2.82Å; V299-Q367 PolarHBondContact O-N 3.29Å; T301-Q367 HydrophobicContact CG2-CB 3.68Å; Q367-S369 PolarHBondContact O-N 2.93Å; Q367-P379 HydrophobicContact CG-CB 3.82Å; Q367-P379 HydrophobicContact CG-CG 4.37Å
368	E	88.4	Confident	83.4	Confident	18 Å²	18	63.3 Å²	63.3	8%	0.084	36%	0.358	C	S	.	.			trans	-59.2	135.2	173.8	-65.2	-176.8	147.7	0	0	110.9	I282 R283 V373 R380	I282-E368 HydrophobicContact CB-CG 3.62Å; I282-E368 HydrophobicContact CD1-CG 3.84Å; I282-E368 HydrophobicContact CG1-CG 4.06Å; I282-E368 HydrophobicContact CG2-CG 4.46Å; I282-E368 PolarHBondContact N-OE1 2.81Å; R283-E368 WeakPolarHBondContact CB-OE1 3.48Å; R283-E368 PolarHBondContact N-OE1 3.32Å; R283-E368 IonicContact NE-OE2 3.66Å; R283-E368 IonicContact NH2-OE2 3.67Å; E368-V373 HydrophobicContact CB-CG2 3.77Å; E368-R380 PolarHBondContact N-O 3.1Å
369	S	82.2	Confident	83.1	Confident	6 Å²	6	60.7 Å²	60.7	4%	0.042	35%	0.353	C	S	.	.			trans	-57.9	130.9	176.4	-53.9	0	0	0	0	110.5	Q367 N371 K372	Q367-S369 PolarHBondContact O-N 2.93Å; S369-N371 PolarHBondContact O-N 2.73Å; S369-K372 PolarHBondContact O-N 2.88Å
370	P	72.4	Confident	83.2	Confident	96 Å²	96	65.3 Å²	65.3	62%	0.623	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-58.9	-30.3	-173.6	22.5	-33.5	0	0	0	112.6	K372 V373	P370-K372 VanDerWaalsContact C-N 3.35Å; P370-K372 PolarHBondContact O-N 3.22Å; P370-V373 PolarHBondContact O-N 3.29Å
371	N	70.7	Confident	83.1	Confident	127 Å²	127	64.8 Å²	64.8	68%	0.679	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-69.1	-26.8	179	-65.8	-26.7	0	0	0	114.1	S369	S369-N371 PolarHBondContact O-N 2.73Å
372	K	76.4	Confident	83.1	Confident	117 Å²	117	64.4 Å²	64.4	51%	0.509	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-87.5	-17.7	180	-73.9	-178.1	174.4	-178.3	0	112.3	E279 S369 P370	E279-K372 IonicContact OE1-NZ 3.43Å; E279-K372 PolarHBondContact OE1-NZ 2.86Å; S369-K372 PolarHBondContact O-N 2.88Å; P370-K372 VanDerWaalsContact C-N 3.35Å; P370-K372 PolarHBondContact O-N 3.22Å
373	V	76.1	Confident	83.2	Confident	31 Å²	31	66.8 Å²	66.8	19%	0.188	38%	0.383	C	S	.	.	S	Bend	trans	-78.1	131.1	-175	-178.8	0	0	0	0	109.9	E368 P370 A375 R377 P379	E368-V373 HydrophobicContact CB-CG2 3.77Å; P370-V373 PolarHBondContact O-N 3.29Å; V373-A375 PolarHBondContact O-N 2.85Å; V373-R377 HydrophobicContact CG1-CB 4.34Å; V373-R377 WeakPolarHBondContact CG1-O 3.43Å; V373-P379 HydrophobicContact CG2-CB 4.23Å
374	A	73.8	Confident	83.4	Confident	62 Å²	62	66.1 Å²	66.1	51%	0.512	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-60.8	134.1	173.3	0	0	0	0	0	110.4	G376 R377	A374-G376 PolarHBondContact O-N 2.78Å; A374-R377 PolarHBondContact O-N 3.21Å
375	A	73.5	Confident	83.5	Confident	107 Å²	107	66.9 Å²	66.9	88%	0.884	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	133.2	179.4	0	0	0	0	0	111.5	V373	V373-A375 PolarHBondContact O-N 2.85Å
376	G	76	Confident	83.6	Confident	88 Å²	88	66.3 Å²	66.3	91%	0.907	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	0.5	179	0	0	0	0	0	116.1	A374	A374-G376 PolarHBondContact O-N 2.78Å
377	R	83.8	Confident	83.6	Confident	156 Å²	156	68.5 Å²	68.5	59%	0.589	39%	0.39	S	S	*	.	S	Bend	trans	-107.2	139.7	172.6	-69	-176.2	174.5	-178.9	-0.2	111.5	V373 A374	V373-R377 HydrophobicContact CG1-CB 4.34Å; V373-R377 WeakPolarHBondContact CG1-O 3.43Å; A374-R377 PolarHBondContact O-N 3.21Å
378	I	79.8	Confident	83.5	Confident	137 Å²	137	67 Å²	67	70%	0.703	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-70.6	130.2	175.1	-53.8	171.8	0	0	0	109	R283	R283-I378 PolarHBondContact NH2-O 3.46Å
379	P	84	Confident	83.4	Confident	44 Å²	44	68.3 Å²	68.3	29%	0.286	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-61.8	137.4	173.3	24.8	-34.5	0	0	0	110.9	Q367 V373	Q367-P379 HydrophobicContact CG-CB 3.82Å; Q367-P379 HydrophobicContact CG-CG 4.37Å; V373-P379 HydrophobicContact CG2-CB 4.23Å
380	R	88.9	Confident	83.8	Confident	150 Å²	150	68.6 Å²	68.6	57%	0.566	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-92.5	146.5	176.8	-64.2	-64.1	-172.3	178.2	-1.1	110.2	I282 E368	I282-R380 HydrophobicContact CG2-CB 4.18Å; E368-R380 PolarHBondContact N-O 3.1Å
381	S	89.9	Confident	84.6	Confident	69 Å²	69	64.7 Å²	64.7	48%	0.483	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	155.6	173.9	52.1	0	0	0	0	111.4	V366	V366-S381 CarbonylContact O-C 3.59Å; V366-S381 WeakPolarHBondContact O-CA 3.29Å
382	K	90.8	Very high	85.5	Confident	50 Å²	50	63.7 Å²	63.7	22%	0.217	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.1	172.2	-74.9	-66.3	-175.9	178.1	0	110.8	I282 L285 V366 T425 I427	I282-K382 HydrophobicContact CG2-CB 4.25Å; I282-K382 HydrophobicContact CG2-CG 3.52Å; L285-K382 HydrophobicContact CD1-CG 4.25Å; V366-K382 PolarHBondContact N-O 3.36Å; V366-K382 PolarHBondContact O-N 2.93Å; K382-T425 PolarHBondContact NZ-OG1 2.74Å; K382-I427 HydrophobicContact CB-CD1 4.45Å
383	D	91.4	Very high	86	Confident	52 Å²	52	60.3 Å²	60.3	28%	0.278	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	134.2	179.3	-55.8	-14	0	0	0	109.5	T365 I427	T365-D383 WeakPolarHBondContact CG2-OD1 3.19Å; D383-I427 PolarHBondContact O-N 2.85Å
384	C	92.5	Very high	86.5	Confident	3 Å²	3	59 Å²	59	2%	0.02	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.8	-178.5	-58.8	0	0	0	0	109	V364 V366 L402 I427	V364-C384 PolarHBondContact N-O 2.83Å; V364-C384 PolarHBondContact O-N 3.25Å; V366-C384 HydrophobicContact CG2-CB 4.31Å; C384-L402 HydrophobicContact CB-CD1 3.73Å; C384-I427 CarbonylContact C-O 3.49Å; C384-I427 VanDerWaalsContact CA-O 3.23Å; C384-I427 WeakPolarHBondContact CA-O 3.37Å
385	I	92.9	Very high	86.9	Confident	17 Å²	17	62.6 Å²	62.6	9%	0.087	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.5	176.9	-66.5	169.5	0	0	0	108.7	Y361 L387 V426 I427 A429	Y361-I385 HydrophobicContact CD2-CG2 3.76Å; Y361-I385 HydrophobicContact CE2-CB 4.3Å; Y361-I385 HydrophobicContact CE2-CD1 4.04Å; Y361-I385 HydrophobicContact CE2-CG1 4.01Å; Y361-I385 HydrophobicContact CE2-CG2 3.35Å; I385-L387 HydrophobicContact CG2-CD2 3.76Å; I385-L387 HydrophobicContact CG2-CG 4.09Å; I385-V426 HydrophobicContact CB-CG1 4.48Å; I385-V426 HydrophobicContact CD1-CB 4.49Å; I385-V426 HydrophobicContact CD1-CG1 3.44Å; I385-V426 VanDerWaalsContact CD1-CG1 3.44Å; I385-V426 HydrophobicContact CG1-CG1 3.55Å; I385-I427 PolarHBondContact N-O 2.84Å; I385-A429 WeakPolarHBondContact O-CB 3.47Å; I385-A429 PolarHBondContact O-N 3.09Å
386	L	92.8	Very high	87.2	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.7	172.4	-45	-170.8	0	0	0	108.5	Q362 V364 L390 A429 I432	Q362-L386 HydrophobicContact CB-CB 4.33Å; Q362-L386 PolarHBondContact N-O 2.77Å; Q362-L386 PolarHBondContact O-N 2.66Å; V364-L386 HydrophobicContact CG2-CD1 3.66Å; V364-L386 HydrophobicContact CG2-CG 3.95Å; L386-L390 HydrophobicContact CB-CB 4.06Å; L386-L390 WeakPolarHBondContact CD1-O 3.41Å; L386-A429 HydrophobicContact CD2-CB 3.35Å; L386-I432 HydrophobicContact CD1-CD1 3.62Å; L386-I432 HydrophobicContact CD2-CD1 3.33Å; L386-I432 HydrophobicContact CD2-CG1 4.35Å; L386-I432 HydrophobicContact CG-CD1 4.11Å
387	L	90.8	Very high	87.3	Confident	50 Å²	50	55.1 Å²	55.1	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.6	-178.5	-60.3	175.5	0	0	0	109.6	N360 Y361 I385 D389 L390 I428	N360-L387 WeakPolarHBondContact O-CA 3.25Å; Y361-L387 HydrophobicContact CD2-CD2 3.96Å; I385-L387 HydrophobicContact CG2-CD2 3.76Å; I385-L387 HydrophobicContact CG2-CG 4.09Å; L387-D389 PolarHBondContact O-N 2.8Å; L387-L390 PolarHBondContact O-N 2.91Å; L387-L390 VanDerWaalsContact O-N 3.15Å; L387-I428 HydrophobicContact CD1-CG2 4.21Å
388	A	85.6	Confident	87.2	Confident	26 Å²	26	48.3 Å²	48.3	22%	0.215	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	52.3	-120	171.5	0	0	0	0	0	113.8	N360 L390 C391	N360-A388 PolarHBondContact O-N 3.07Å; A388-L390 PolarHBondContact O-N 3.49Å; A388-L390 VanDerWaalsContact O-N 3.17Å; A388-C391 WeakPolarHBondContact O-CB 3.48Å; A388-C391 PolarHBondContact O-N 3.07Å; A388-C391 VanDerWaalsContact O-N 3.16Å; A388-C391 PolarHBondContact O-SG 2.74Å
389	D	88.1	Confident	87.4	Confident	45 Å²	45	44.7 Å²	44.7	24%	0.241	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-55.5	-21.5	178.3	62.6	-19.8	0	0	0	115.5	E214 S215 R272 L387 C391	E214-D389 HydrophobicContact CG-CB 4.02Å; E214-D389 WeakPolarHBondContact OE1-CB 3.31Å; S215-D389 WeakPolarHBondContact CB-OD2 3.43Å; R272-D389 IonicContact CZ-OD1 2.67Å; R272-D389 IonicContact CZ-OD2 2.76Å; R272-D389 IonicContact NE-OD1 2.72Å; R272-D389 IonicContact NE-OD2 3.47Å; R272-D389 PolarHBondContact NE-OD2 2.97Å; R272-D389 IonicContact NH2-OD1 2.74Å; R272-D389 PolarHBondContact NH2-OD1 2.9Å; R272-D389 IonicContact NH2-OD2 2.73Å; R272-D389 PolarHBondContact NH2-OD2 3.24Å; L387-D389 PolarHBondContact O-N 2.8Å; D389-C391 VanDerWaalsContact C-N 3.32Å
390	L	89.8	Confident	87.7	Confident	12 Å²	12	42.7 Å²	42.7	6%	0.063	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-81.3	-12.9	179.8	-64.9	179.6	0	0	0	113	L386 L387 A388 T393 A429	L386-L390 HydrophobicContact CB-CB 4.06Å; L386-L390 WeakPolarHBondContact CD1-O 3.41Å; L387-L390 PolarHBondContact O-N 2.91Å; L387-L390 VanDerWaalsContact O-N 3.15Å; A388-L390 PolarHBondContact O-N 3.49Å; A388-L390 VanDerWaalsContact O-N 3.17Å; L390-T393 WeakPolarHBondContact O-CB 3.41Å; L390-T393 VanDerWaalsContact O-CG2 3.3Å; L390-T393 WeakPolarHBondContact O-CG2 3.29Å; L390-T393 PolarHBondContact O-N 2.91Å; L390-T393 PolarHBondContact O-OG1 3.09Å; L390-A429 HydrophobicContact CD1-CB 4.08Å; L390-A429 WeakPolarHBondContact CD1-O 3.43Å
391	C	90	Very high	87.8	Confident	15 Å²	15	38 Å²	38	10%	0.101	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	145.2	177.6	-58.1	0	0	0	0	111	I306 N360 Q362 A388 D389 T393	I306-C391 HydrophobicContact CD1-CB 4.07Å; I306-C391 HydrophobicContact CG1-CB 4.17Å; N360-C391 HydrophobicContact CB-CB 4.33Å; Q362-C391 HydrophobicContact CB-CB 4.37Å; A388-C391 WeakPolarHBondContact O-CB 3.48Å; A388-C391 PolarHBondContact O-N 3.07Å; A388-C391 VanDerWaalsContact O-N 3.16Å; A388-C391 PolarHBondContact O-SG 2.74Å; D389-C391 VanDerWaalsContact C-N 3.32Å; C391-T393 PolarHBondContact O-N 2.96Å
392	D	88.2	Confident	88	Confident	105 Å²	105	34.9 Å²	34.9	56%	0.561	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	11.9	-175.2	-79.7	-8.5	0	0	0	115.6	I306 Q362	I306-D392 HydrophobicContact CD1-CB 4.2Å; I306-D392 VanDerWaalsContact CD1-CG 3.4Å; I306-D392 WeakPolarHBondContact CD1-OD2 3.42Å; Q362-D392 PolarHBondContact NE2-OD1 3.33Å; Q362-D392 VanDerWaalsContact NE2-OD1 3.15Å
393	T	87.6	Confident	88.1	Confident	47 Å²	47	32.7 Å²	32.7	29%	0.288	17%	0.174	S	C	.	.	S	Bend	trans	-67.4	-41.9	172.8	57.9	0	0	0	0	110.5	L390 C391 I432 K434	L390-T393 WeakPolarHBondContact O-CB 3.41Å; L390-T393 VanDerWaalsContact O-CG2 3.3Å; L390-T393 WeakPolarHBondContact O-CG2 3.29Å; L390-T393 PolarHBondContact O-N 2.91Å; L390-T393 PolarHBondContact O-OG1 3.09Å; C391-T393 PolarHBondContact O-N 2.96Å; T393-I432 WeakPolarHBondContact OG1-CD1 3.24Å; T393-K434 WeakPolarHBondContact O-CE 3.42Å; T393-K434 PolarHBondContact O-NZ 2.88Å
394	C	85.7	Confident	88.2	Confident	4 Å²	4	30.2 Å²	30.2	3%	0.027	16%	0.161	C	C	.	.			trans	-104.6	151.1	-178.3	61.2	0	0	0	0	113.2	V300 I400	V300-C394 HydrophobicContact CG2-CB 4.02Å; C394-I400 HydrophobicContact CB-CG2 4.25Å
395	K	83	Confident	88.2	Confident	137 Å²	137	30.6 Å²	30.6	60%	0.596	16%	0.163	S	C	*	.			trans	-119.3	155.7	171.8	-64.8	-176.6	-179.9	-175.9	0	110.2	G397 D398	K395-G397 PolarHBondContact O-N 2.84Å; K395-G397 VanDerWaalsContact O-N 3.09Å; K395-D398 PolarHBondContact N-OD2 2.76Å; K395-D398 WeakPolarHBondContact O-CB 3.46Å; K395-D398 PolarHBondContact O-N 2.93Å
396	P	80.7	Confident	88.3	Confident	33 Å²	33	30.3 Å²	30.3	21%	0.214	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	119.3	168.6	-27	36.1	0	0	0	110.7	T303 A561	T303-P396 HydrophobicContact CG2-CG 4.05Å; T303-P396 WeakPolarHBondContact OG1-CG 3.44Å; P396-A561 HydrophobicContact CB-CB 4.02Å
397	G	76.9	Confident	88.1	Confident	5 Å²	5	30.6 Å²	30.6	5%	0.052	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	-10.4	179.7	0	0	0	0	0	117	V300 K395	V300-G397 PolarHBondContact O-N 2.97Å; K395-G397 PolarHBondContact O-N 2.84Å; K395-G397 VanDerWaalsContact O-N 3.09Å
398	D	82.1	Confident	88.1	Confident	12 Å²	12	31.8 Å²	31.8	6%	0.064	17%	0.166	C	C	.	.			trans	-70.5	133.5	177.6	-69.7	-8.8	0	0	0	110.2	V300 K395 I400 K434	V300-D398 PolarHBondContact N-O 2.78Å; K395-D398 PolarHBondContact N-OD2 2.76Å; K395-D398 WeakPolarHBondContact O-CB 3.46Å; K395-D398 PolarHBondContact O-N 2.93Å; D398-I400 HydrophobicContact CB-CG2 4.24Å; D398-I400 PolarHBondContact O-N 2.67Å; D398-K434 VanDerWaalsContact OD2-CE 3.27Å; D398-K434 WeakPolarHBondContact OD2-CE 3.38Å; D398-K434 IonicContact OD2-NZ 2.95Å; D398-K434 PolarHBondContact OD2-NZ 2.87Å
399	E	84.2	Confident	88.1	Confident	61 Å²	61	32.6 Å²	32.6	29%	0.285	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.7	166.3	-78.5	-168	-175.1	0	0	110.5	V299 R435	V299-E399 HydrophobicContact CG2-CG 3.82Å; E399-R435 HydrophobicContact CB-CB 4.45Å; E399-R435 PolarHBondContact O-N 3.46Å
400	I	89.8	Confident	87.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.5	-178.2	66.1	168.3	0	0	0	112.2	S297 G298 V300 V366 C394 D398 L402 I432 K434	S297-I400 WeakPolarHBondContact CA-O 3.25Å; G298-I400 PolarHBondContact N-O 2.98Å; G298-I400 PolarHBondContact O-N 2.85Å; V300-I400 HydrophobicContact CG2-CD1 3.53Å; V300-I400 HydrophobicContact CG2-CG1 3.9Å; V300-I400 HydrophobicContact CG2-CG2 4.19Å; V366-I400 HydrophobicContact CG1-CG1 4.46Å; V366-I400 HydrophobicContact CG2-CD1 3.85Å; C394-I400 HydrophobicContact CB-CG2 4.25Å; D398-I400 HydrophobicContact CB-CG2 4.24Å; D398-I400 PolarHBondContact O-N 2.67Å; I400-L402 HydrophobicContact CD1-CB 4.39Å; I400-L402 HydrophobicContact CD1-CD1 4.38Å; I400-I432 HydrophobicContact CB-CG2 4.03Å; I400-I432 HydrophobicContact CD1-CG2 4.4Å; I400-I432 HydrophobicContact CG2-CG2 3.93Å; I400-K434 HydrophobicContact CG2-CG 4.41Å
401	E	91.6	Very high	87.3	Confident	51 Å²	51	39.5 Å²	39.5	24%	0.238	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.4	158.8	-66.7	-177.5	179.2	0	0	107.7	I296 S433 R435	I296-E401 WeakPolarHBondContact O-CA 3.14Å; E401-S433 PolarHBondContact N-O 2.75Å; E401-S433 PolarHBondContact O-N 3.05Å; E401-R435 HydrophobicContact CG-CG 4.18Å; E401-R435 IonicContact OE1-CZ 2.55Å; E401-R435 IonicContact OE1-NE 2.81Å; E401-R435 PolarHBondContact OE1-NE 3.2Å; E401-R435 IonicContact OE1-NH2 3.02Å; E401-R435 PolarHBondContact OE1-NH2 2.87Å
402	L	92.7	Very high	86.7	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.7	-179	-176.8	148.3	0	0	0	108.8	R295 I296 C384 I400 I427 A429 I432	R295-L402 CarbonylContact C-O 3.59Å; R295-L402 WeakPolarHBondContact CA-O 3.23Å; I296-L402 PolarHBondContact N-O 3.45Å; I296-L402 PolarHBondContact O-N 3.06Å; C384-L402 HydrophobicContact CB-CD1 3.73Å; I400-L402 HydrophobicContact CD1-CB 4.39Å; I400-L402 HydrophobicContact CD1-CD1 4.38Å; L402-I427 HydrophobicContact CD2-CB 4.41Å; L402-I427 HydrophobicContact CD2-CG2 3.56Å; L402-A429 HydrophobicContact CD1-CB 3.89Å; L402-A429 HydrophobicContact CG-CB 4.2Å; L402-I432 HydrophobicContact CD1-CG1 4.34Å
403	S	93	Very high	86.4	Confident	4 Å²	4	38.6 Å²	38.6	3%	0.028	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	126.6	165.3	-52.8	0	0	0	0	108	V294 N430 Y431	V294-S403 CarbonylContact O-C 3.58Å; V294-S403 WeakPolarHBondContact O-CA 3.49Å; S403-N430 WeakPolarHBondContact O-CA 3.25Å; S403-N430 PolarHBondContact O-N 3.14Å; S403-Y431 PolarHBondContact N-O 3.37Å; S403-Y431 PolarHBondContact O-N 3.28Å
404	G	93.2	Very high	85.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	171.7	-173.8	0	0	0	0	0	112.9	V294 I428	V294-G404 WeakPolarHBondContact CG2-O 3.42Å; V294-G404 PolarHBondContact N-O 3.23Å; V294-G404 PolarHBondContact O-N 3.29Å; G404-I428 CarbonylContact C-O 3.3Å; G404-I428 WeakPolarHBondContact CA-O 3.07Å
405	I	93.7	Very high	85.6	Confident	11 Å²	11	40.3 Å²	40.3	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.6	-178.6	-50.9	176.5	0	0	0	107.5	P240 D241 L244 L293 T407 I427 I428	P240-I405 HydrophobicContact CB-CD1 3.81Å; P240-I405 HydrophobicContact CB-CG1 3.98Å; P240-I405 HydrophobicContact CG-CD1 3.95Å; P240-I405 HydrophobicContact CG-CG1 3.92Å; P240-I405 HydrophobicContact CG-CG2 4.01Å; D241-I405 WeakPolarHBondContact OD1-CD1 3.42Å; L244-I405 HydrophobicContact CD1-CD1 4.04Å; L293-I405 HydrophobicContact CD1-CG1 4.16Å; I405-T407 HydrophobicContact CB-CG2 4.33Å; I405-T407 HydrophobicContact CG2-CG2 3.87Å; I405-T407 PolarHBondContact O-N 3.19Å; I405-I427 WeakPolarHBondContact O-CA 3.45Å; I405-I428 PolarHBondContact N-O 3.13Å; I405-I428 PolarHBondContact O-N 3.08Å
406	Y	93.9	Very high	85.7	Confident	11 Å²	11	37.9 Å²	37.9	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	102.3	178.5	-175.8	-110.5	0	0	0	110.1	L285 N289 L290 N291 N292 T425 I427	L285-Y406 HydrophobicContact CB-CE2 4.38Å; L285-Y406 HydrophobicContact CD1-CD2 4.32Å; L285-Y406 HydrophobicContact CD1-CE2 4.08Å; N289-Y406 HydrophobicContact CB-CD1 4.19Å; L290-Y406 HydrophobicContact CD2-CD1 3.86Å; L290-Y406 HydrophobicContact CD2-CE1 3.73Å; L290-Y406 HydrophobicContact CG-CD1 4.37Å; L290-Y406 HydrophobicContact CG-CE1 4.32Å; N291-Y406 PolarHBondContact N-O 3.37Å; N292-Y406 PolarHBondContact O-N 2.79Å; Y406-T425 HydrophobicContact CE1-CG2 4.43Å; Y406-T425 VanDerWaalsContact OH-CB 3.26Å; Y406-T425 WeakPolarHBondContact OH-CB 3.33Å; Y406-T425 WeakPolarHBondContact OH-CG2 3.48Å; Y406-T425 PolarHBondContact OH-OG1 2.81Å; Y406-I427 HydrophobicContact CD2-CD1 4.19Å; Y406-I427 HydrophobicContact CD2-CG1 4Å
407	T	90.1	Very high	85.7	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.043	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	166.9	-174.8	64.8	0	0	0	0	112	I405 T425 V426 I428	I405-T407 HydrophobicContact CB-CG2 4.33Å; I405-T407 HydrophobicContact CG2-CG2 3.87Å; I405-T407 PolarHBondContact O-N 3.19Å; T407-T425 WeakPolarHBondContact O-CA 3.36Å; T407-V426 CarbonylContact C-O 3.42Å; T407-V426 WeakPolarHBondContact CA-O 3.41Å; T407-V426 PolarHBondContact N-O 3.47Å; T407-V426 PolarHBondContact O-N 3.36Å; T407-V426 VanDerWaalsContact O-O 3.11Å; T407-V426 PolarHBondContact OG1-O 3.13Å; T407-I428 HydrophobicContact CG2-CD1 3.79Å; T407-I428 HydrophobicContact CG2-CG1 4.14Å
408	H	89.4	Confident	86	Confident	75 Å²	75	49.2 Å²	49.2	35%	0.347	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.6	176.6	65	-72.5	0	0	0	110.5	L290 F423 A424	L290-H408 HydrophobicContact CD2-CB 4.07Å; H408-F423 HydrophobicContact CB-CB 4.2Å; H408-F423 AromaticContact CD2-CD1 3.91Å; H408-A424 CarbonylContact C-O 3.6Å; H408-A424 VanDerWaalsContact CA-O 3.24Å; H408-A424 WeakPolarHBondContact CA-O 3.34Å
409	N	85.7	Confident	86	Confident	44 Å²	44	51.6 Å²	51.6	24%	0.235	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.1	175.5	-67.8	-5.9	0	0	0	108.8	H332 D411 F423 A424	H332-N409 PolarHBondContact CE1-OD1 3.4Å; H332-N409 PolarHBondContact ND1-OD1 2.66Å; N409-D411 PolarHBondContact O-N 3.01Å; N409-F423 CarbonylContact O-C 3.59Å; N409-F423 WeakPolarHBondContact O-CA 3.45Å; N409-A424 PolarHBondContact N-O 2.79Å; N409-A424 PolarHBondContact O-N 3.18Å
410	Y	82.3	Confident	85.9	Confident	149 Å²	149	55.9 Å²	55.9	58%	0.584	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	116.9	170.2	-178.1	-104.2	0	0	0	109.2	N415 F423	Y410-N415 PolarHBondContact OH-ND2 2.95Å; Y410-F423 HydrophobicContact CD2-CD1 4.01Å; Y410-F423 AromaticContact CD2-CE1 3.6Å; Y410-F423 HydrophobicContact CD2-CE1 3.6Å; Y410-F423 HydrophobicContact CD2-CZ 4.28Å; Y410-F423 HydrophobicContact CG-CE1 4.32Å
411	D	79.1	Confident	85.5	Confident	53 Å²	53	60 Å²	60	28%	0.283	33%	0.333	S	S	.	.			trans	-113	112.9	174.7	-177.8	1.7	0	0	0	109.2	N409 S413 L414 N415 A424	N409-D411 PolarHBondContact O-N 3.01Å; D411-S413 PolarHBondContact O-N 2.87Å; D411-S413 VanDerWaalsContact OD1-CB 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.46Å; D411-S413 PolarHBondContact OD1-N 2.83Å; D411-S413 PolarHBondContact OD1-OG 2.9Å; D411-S413 PolarHBondContact OD2-OG 2.84Å; D411-L414 HydrophobicContact CB-CB 4.45Å; D411-L414 HydrophobicContact CB-CD1 4.09Å; D411-L414 HydrophobicContact CB-CG 4.34Å; D411-L414 WeakPolarHBondContact OD2-CG 3.19Å; D411-N415 PolarHBondContact O-N 3.07Å; D411-A424 HydrophobicContact CB-CB 4.18Å
412	G	78.3	Confident	85.1	Confident	42 Å²	42	60.1 Å²	60.1	43%	0.433	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-26.6	177.9	0	0	0	0	0	112.9	A416	G412-A416 PolarHBondContact O-N 2.84Å
413	S	80.6	Confident	84.7	Confident	58 Å²	58	64.4 Å²	64.4	41%	0.406	36%	0.356	S	S	.	.	H	α-helix	trans	-72.3	-38.2	-177.1	80.2	0	0	0	0	112.3	D411 A416 K417	D411-S413 PolarHBondContact O-N 2.87Å; D411-S413 VanDerWaalsContact OD1-CB 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.46Å; D411-S413 PolarHBondContact OD1-N 2.83Å; D411-S413 PolarHBondContact OD1-OG 2.9Å; D411-S413 PolarHBondContact OD2-OG 2.84Å; S413-A416 PolarHBondContact O-N 2.81Å; S413-K417 WeakPolarHBondContact O-CG 3.48Å; S413-K417 PolarHBondContact O-N 3.02Å
414	L	77.2	Confident	84.4	Confident	42 Å²	42	65.4 Å²	65.4	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-69.3	-37.1	176	-72.1	173	0	0	0	111.8	D411 A416 K417 H418 V422 A424	D411-L414 HydrophobicContact CB-CB 4.45Å; D411-L414 HydrophobicContact CB-CD1 4.09Å; D411-L414 HydrophobicContact CB-CG 4.34Å; D411-L414 WeakPolarHBondContact OD2-CG 3.19Å; L414-A416 VanDerWaalsContact C-N 3.33Å; L414-A416 PolarHBondContact O-N 2.92Å; L414-K417 PolarHBondContact O-N 3.33Å; L414-H418 PolarHBondContact O-CD2 3.39Å; L414-H418 PolarHBondContact O-N 2.81Å; L414-V422 HydrophobicContact CB-CB 4.25Å; L414-V422 HydrophobicContact CB-CG1 4.45Å; L414-V422 HydrophobicContact CD1-CG1 4.4Å; L414-A424 HydrophobicContact CD1-CB 4.06Å
415	N	80.2	Confident	84.2	Confident	46 Å²	46	67 Å²	67	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-62.1	-42.1	176.2	-170.7	23.8	0	0	0	111.5	Y410 D411 G419 F420 P421	Y410-N415 PolarHBondContact OH-ND2 2.95Å; D411-N415 PolarHBondContact O-N 3.07Å; N415-G419 WeakPolarHBondContact O-CA 3.48Å; N415-G419 PolarHBondContact O-N 3.48Å; N415-F420 WeakPolarHBondContact CA-O 3.27Å; N415-F420 PolarHBondContact OD1-O 2.55Å; N415-F420 VanDerWaalsContact OD1-O 3.09Å; N415-P421 WeakPolarHBondContact OD1-CA 3.4Å
416	A	83.9	Confident	84.1	Confident	86 Å²	86	67.2 Å²	67.2	71%	0.711	38%	0.376	S	S	*	.	H	α-helix	trans	-65.2	-39.2	176.8	0	0	0	0	0	112.7	G412 S413 L414	G412-A416 PolarHBondContact O-N 2.84Å; S413-A416 PolarHBondContact O-N 2.81Å; L414-A416 VanDerWaalsContact C-N 3.33Å; L414-A416 PolarHBondContact O-N 2.92Å
417	K	82.4	Confident	84.1	Confident	166 Å²	166	66.8 Å²	66.8	72%	0.722	38%	0.375	S	S	*	.	H	α-helix	trans	-73	-41.3	-178.7	-73	176.6	-179	176.5	0	113.2	S413 L414	S413-K417 WeakPolarHBondContact O-CG 3.48Å; S413-K417 PolarHBondContact O-N 3.02Å; L414-K417 PolarHBondContact O-N 3.33Å
418	H	81.8	Confident	84.3	Confident	110 Å²	110	68.5 Å²	68.5	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-93.2	-17.3	-174.5	-68.1	-63	0	0	0	113.6	L414 F420 V422	L414-H418 PolarHBondContact O-CD2 3.39Å; L414-H418 PolarHBondContact O-N 2.81Å; H418-F420 VanDerWaalsContact O-CD2 3.23Å; H418-F420 WeakPolarHBondContact O-CD2 3.45Å; H418-F420 PolarHBondContact O-N 3.25Å; H418-V422 HydrophobicContact CB-CG2 4.02Å
419	G	82.3	Confident	84.5	Confident	62 Å²	62	65.2 Å²	65.2	64%	0.639	37%	0.369	S	S	*	.	S	Bend	trans	68.6	6.5	-173.7	0	0	0	0	0	113.8	N415	N415-G419 WeakPolarHBondContact O-CA 3.48Å; N415-G419 PolarHBondContact O-N 3.48Å
420	F	81.9	Confident	84.9	Confident	151 Å²	151	63.7 Å²	63.7	66%	0.662	36%	0.361	S	S	*	.	S	Bend	trans	-125.7	147.2	175.8	-67.2	-78.1	0	0	0	108.8	N415 H418 V422	N415-F420 WeakPolarHBondContact CA-O 3.27Å; N415-F420 PolarHBondContact OD1-O 2.55Å; N415-F420 VanDerWaalsContact OD1-O 3.09Å; H418-F420 VanDerWaalsContact O-CD2 3.23Å; H418-F420 WeakPolarHBondContact O-CD2 3.45Å; H418-F420 PolarHBondContact O-N 3.25Å; F420-V422 VanDerWaalsContact C-N 3.28Å; F420-V422 HydrophobicContact CB-CG2 4.42Å; F420-V422 PolarHBondContact O-N 3.4Å
421	P	83.1	Confident	85.4	Confident	88 Å²	88	58.2 Å²	58.2	57%	0.571	34%	0.339	S	S	*	.			trans	-67.9	87.9	176.2	28.8	-34.5	0	0	0	110.1	N415	N415-P421 WeakPolarHBondContact OD1-CA 3.4Å
422	V	82.9	Confident	86	Confident	53 Å²	53	56.5 Å²	56.5	32%	0.321	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-95.3	122.6	175.9	179.8	0	0	0	0	108.4	L414 H418 F420	L414-V422 HydrophobicContact CB-CB 4.25Å; L414-V422 HydrophobicContact CB-CG1 4.45Å; L414-V422 HydrophobicContact CD1-CG1 4.4Å; H418-V422 HydrophobicContact CB-CG2 4.02Å; F420-V422 VanDerWaalsContact C-N 3.28Å; F420-V422 HydrophobicContact CB-CG2 4.42Å; F420-V422 PolarHBondContact O-N 3.4Å
423	F	84.7	Confident	86.5	Confident	94 Å²	94	54.9 Å²	54.9	41%	0.412	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.3	173.3	-61.9	-91.7	0	0	0	109.7	H408 N409 Y410	H408-F423 HydrophobicContact CB-CB 4.2Å; H408-F423 AromaticContact CD2-CD1 3.91Å; N409-F423 CarbonylContact O-C 3.59Å; N409-F423 WeakPolarHBondContact O-CA 3.45Å; Y410-F423 HydrophobicContact CD2-CD1 4.01Å; Y410-F423 AromaticContact CD2-CE1 3.6Å; Y410-F423 HydrophobicContact CD2-CE1 3.6Å; Y410-F423 HydrophobicContact CD2-CZ 4.28Å; Y410-F423 HydrophobicContact CG-CE1 4.32Å
424	A	86	Confident	86.6	Confident	26 Å²	26	54.3 Å²	54.3	22%	0.215	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.7	169.2	0	0	0	0	0	108.9	H408 N409 D411 L414	H408-A424 CarbonylContact C-O 3.6Å; H408-A424 VanDerWaalsContact CA-O 3.24Å; H408-A424 WeakPolarHBondContact CA-O 3.34Å; N409-A424 PolarHBondContact N-O 2.79Å; N409-A424 PolarHBondContact O-N 3.18Å; D411-A424 HydrophobicContact CB-CB 4.18Å; L414-A424 HydrophobicContact CD1-CB 4.06Å
425	T	89.2	Confident	86.4	Confident	34 Å²	34	54.9 Å²	54.9	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.4	-177.5	61.8	0	0	0	0	109.2	K382 Y406 T407	K382-T425 PolarHBondContact NZ-OG1 2.74Å; Y406-T425 HydrophobicContact CE1-CG2 4.43Å; Y406-T425 VanDerWaalsContact OH-CB 3.26Å; Y406-T425 WeakPolarHBondContact OH-CB 3.33Å; Y406-T425 WeakPolarHBondContact OH-CG2 3.48Å; Y406-T425 PolarHBondContact OH-OG1 2.81Å; T407-T425 WeakPolarHBondContact O-CA 3.36Å
426	V	92	Very high	85.5	Confident	15 Å²	15	55.3 Å²	55.3	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	144.1	-175.4	-175.5	0	0	0	0	109.4	I385 T407	I385-V426 HydrophobicContact CB-CG1 4.48Å; I385-V426 HydrophobicContact CD1-CB 4.49Å; I385-V426 HydrophobicContact CD1-CG1 3.44Å; I385-V426 VanDerWaalsContact CD1-CG1 3.44Å; I385-V426 HydrophobicContact CG1-CG1 3.55Å; T407-V426 CarbonylContact C-O 3.42Å; T407-V426 WeakPolarHBondContact CA-O 3.41Å; T407-V426 PolarHBondContact N-O 3.47Å; T407-V426 PolarHBondContact O-N 3.36Å; T407-V426 VanDerWaalsContact O-O 3.11Å; T407-V426 PolarHBondContact OG1-O 3.13Å
427	I	93.6	Very high	84.1	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.5	179.5	-42.6	-163	0	0	0	109.1	L285 V294 I296 K382 D383 C384 I385 L402 I405 Y406 A429	L285-I427 HydrophobicContact CD1-CD1 4.15Å; V294-I427 HydrophobicContact CG2-CG2 4.43Å; I296-I427 HydrophobicContact CD1-CD1 3.12Å; K382-I427 HydrophobicContact CB-CD1 4.45Å; D383-I427 PolarHBondContact O-N 2.85Å; C384-I427 CarbonylContact C-O 3.49Å; C384-I427 VanDerWaalsContact CA-O 3.23Å; C384-I427 WeakPolarHBondContact CA-O 3.37Å; I385-I427 PolarHBondContact N-O 2.84Å; L402-I427 HydrophobicContact CD2-CB 4.41Å; L402-I427 HydrophobicContact CD2-CG2 3.56Å; I405-I427 WeakPolarHBondContact O-CA 3.45Å; Y406-I427 HydrophobicContact CD2-CD1 4.19Å; Y406-I427 HydrophobicContact CD2-CG1 4Å; I427-A429 PolarHBondContact O-N 3.43Å
428	I	93.7	Very high	82.6	Confident	42 Å²	42	52.8 Å²	52.8	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.5	172.4	-58.2	178.5	0	0	0	107	L387 G404 I405 T407 N430	L387-I428 HydrophobicContact CD1-CG2 4.21Å; G404-I428 CarbonylContact C-O 3.3Å; G404-I428 WeakPolarHBondContact CA-O 3.07Å; I405-I428 PolarHBondContact N-O 3.13Å; I405-I428 PolarHBondContact O-N 3.08Å; T407-I428 HydrophobicContact CG2-CD1 3.79Å; T407-I428 HydrophobicContact CG2-CG1 4.14Å; I428-N430 PolarHBondContact O-N 2.83Å
429	A	94.3	Very high	81.2	Confident	6 Å²	6	51 Å²	51	5%	0.05	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126	-176.8	0	0	0	0	0	110.3	I385 L386 L390 L402 I427 I432	I385-A429 WeakPolarHBondContact O-CB 3.47Å; I385-A429 PolarHBondContact O-N 3.09Å; L386-A429 HydrophobicContact CD2-CB 3.35Å; L390-A429 HydrophobicContact CD1-CB 4.08Å; L390-A429 WeakPolarHBondContact CD1-O 3.43Å; L402-A429 HydrophobicContact CD1-CB 3.89Å; L402-A429 HydrophobicContact CG-CB 4.2Å; I427-A429 PolarHBondContact O-N 3.43Å; A429-I432 HydrophobicContact CB-CG1 4.46Å
430	N	92.9	Very high	79.6	Confident	12 Å²	12	48.7 Å²	48.7	6%	0.064	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-42.5	167.5	-174.7	18.1	0	0	0	110.6	L244 V271 R272 S403 I428	L244-N430 WeakPolarHBondContact CD2-ND2 3.38Å; V271-N430 PolarHBondContact O-OD1 3.07Å; R272-N430 WeakPolarHBondContact CD-O 3.29Å; R272-N430 PolarHBondContact NE-O 3.26Å; R272-N430 PolarHBondContact NH1-O 2.6Å; R272-N430 PolarHBondContact NH1-OD1 3.11Å; S403-N430 WeakPolarHBondContact O-CA 3.25Å; S403-N430 PolarHBondContact O-N 3.14Å; I428-N430 PolarHBondContact O-N 2.83Å
431	Y	92.4	Very high	78.3	Confident	35 Å²	35	46.8 Å²	46.8	14%	0.137	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	132.6	180	179.3	-119.2	0	0	0	110.8	V217 R272 I273 A274 S403 K438	V217-Y431 HydrophobicContact CG1-CE2 4.36Å; V217-Y431 HydrophobicContact CG2-CE2 4.04Å; R272-Y431 HydrophobicContact CB-CD2 3.69Å; R272-Y431 HydrophobicContact CB-CE2 4.46Å; R272-Y431 HydrophobicContact CB-CG 4.16Å; R272-Y431 HydrophobicContact CG-CD2 4.28Å; I273-Y431 WeakPolarHBondContact O-CB 3.22Å; I273-Y431 WeakPolarHBondContact O-CD1 3.36Å; A274-Y431 HydrophobicContact CB-CD1 4.15Å; A274-Y431 HydrophobicContact CB-CE1 3.78Å; S403-Y431 PolarHBondContact N-O 3.37Å; S403-Y431 PolarHBondContact O-N 3.28Å; Y431-K438 PolarHBondContact OH-NZ 2.73Å
432	I	92.4	Very high	76.9	Confident	17 Å²	17	46.7 Å²	46.7	9%	0.087	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.8	171.9	-63.2	167.3	0	0	0	108.5	L386 T393 I400 L402 A429	L386-I432 HydrophobicContact CD1-CD1 3.62Å; L386-I432 HydrophobicContact CD2-CD1 3.33Å; L386-I432 HydrophobicContact CD2-CG1 4.35Å; L386-I432 HydrophobicContact CG-CD1 4.11Å; T393-I432 WeakPolarHBondContact OG1-CD1 3.24Å; I400-I432 HydrophobicContact CB-CG2 4.03Å; I400-I432 HydrophobicContact CD1-CG2 4.4Å; I400-I432 HydrophobicContact CG2-CG2 3.93Å; L402-I432 HydrophobicContact CD1-CG1 4.34Å; A429-I432 HydrophobicContact CB-CG1 4.46Å
433	S	88.4	Confident	75.8	Confident	8 Å²	8	46.2 Å²	46.2	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.6	169.6	176.5	0	0	0	0	108.9	E401 K438	E401-S433 PolarHBondContact N-O 2.75Å; E401-S433 PolarHBondContact O-N 3.05Å; S433-K438 VanDerWaalsContact OG-CE 3.29Å; S433-K438 WeakPolarHBondContact OG-CE 3.5Å; S433-K438 PolarHBondContact OG-NZ 3.09Å
434	K	83.6	Confident	74.9	Confident	45 Å²	45	43.1 Å²	43.1	20%	0.196	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.1	166.6	-62.5	-170.1	-176.5	-165.5	0	109.5	T393 D398 I400 D437	T393-K434 WeakPolarHBondContact O-CE 3.42Å; T393-K434 PolarHBondContact O-NZ 2.88Å; D398-K434 VanDerWaalsContact OD2-CE 3.27Å; D398-K434 WeakPolarHBondContact OD2-CE 3.38Å; D398-K434 IonicContact OD2-NZ 2.95Å; D398-K434 PolarHBondContact OD2-NZ 2.87Å; I400-K434 HydrophobicContact CG2-CG 4.41Å; K434-D437 WeakPolarHBondContact CD-OD2 3.5Å
435	R	72.6	Confident	74.3	Confident	54 Å²	54	45.2 Å²	45.2	20%	0.204	25%	0.251	C	S	.	.	S	Bend	trans	-69.8	-38.6	171.9	-76.3	-172.6	170.4	148.2	7.4	111	E279 S297 E399 E401 D437 K438 V439	E279-R435 IonicContact OE1-NH2 3.97Å; E279-R435 PolarHBondContact OE1-NH2 2.99Å; S297-R435 PolarHBondContact OG-NH1 2.75Å; S297-R435 PolarHBondContact OG-NH2 2.82Å; E399-R435 HydrophobicContact CB-CB 4.45Å; E399-R435 PolarHBondContact O-N 3.46Å; E401-R435 HydrophobicContact CG-CG 4.18Å; E401-R435 IonicContact OE1-CZ 2.55Å; E401-R435 IonicContact OE1-NE 2.81Å; E401-R435 PolarHBondContact OE1-NE 3.2Å; E401-R435 IonicContact OE1-NH2 3.02Å; E401-R435 PolarHBondContact OE1-NH2 2.87Å; R435-D437 PolarHBondContact O-N 3.21Å; R435-K438 PolarHBondContact O-N 3.35Å; R435-V439 VanDerWaalsContact O-CG2 3.25Å; R435-V439 WeakPolarHBondContact O-CG2 3.49Å; R435-V439 PolarHBondContact O-N 3.02Å
436	E	61.8	Low	73.9	Confident	55 Å²	55	50 Å²	50	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-46.2	-172.1	-57.5	-168.8	176.6	0	0	113.4	K438 R530	E436-K438 VanDerWaalsContact C-N 3.28Å; E436-K438 PolarHBondContact O-N 3Å; E436-R530 IonicContact OE1-CZ 3.4Å; E436-R530 IonicContact OE1-NE 3.89Å; E436-R530 PolarHBondContact OE1-NE 2.72Å; E436-R530 IonicContact OE1-NH1 2.57Å; E436-R530 PolarHBondContact OE1-NH1 2.66Å; E436-R530 IonicContact OE2-CZ 2.66Å; E436-R530 IonicContact OE2-NE 3.99Å; E436-R530 IonicContact OE2-NH1 3.53Å; E436-R530 PolarHBondContact OE2-NH1 3.08Å
437	D	55.2	Low	73.5	Confident	118 Å²	118	55.4 Å²	55.4	63%	0.631	30%	0.304	S	S	*	.	H	α-helix	trans	-72.8	-20.8	-176.2	-67.2	-25.2	0	0	0	113.3	K434 R435	K434-D437 WeakPolarHBondContact CD-OD2 3.5Å; R435-D437 PolarHBondContact O-N 3.21Å
438	K	50.5	Low	72.9	Confident	82 Å²	82	56.3 Å²	56.3	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-89.5	-31.5	-179.7	-72.4	-176.4	179.7	175.8	0	112.4	Y431 S433 R435 E436 A440 S442	Y431-K438 PolarHBondContact OH-NZ 2.73Å; S433-K438 VanDerWaalsContact OG-CE 3.29Å; S433-K438 WeakPolarHBondContact OG-CE 3.5Å; S433-K438 PolarHBondContact OG-NZ 3.09Å; R435-K438 PolarHBondContact O-N 3.35Å; E436-K438 VanDerWaalsContact C-N 3.28Å; E436-K438 PolarHBondContact O-N 3Å; K438-A440 PolarHBondContact O-N 3.2Å; K438-S442 WeakPolarHBondContact CB-OG 3.25Å; K438-S442 WeakPolarHBondContact O-CB 3.16Å; K438-S442 PolarHBondContact O-N 3.29Å; K438-S442 VanDerWaalsContact O-N 3.07Å; K438-S442 PolarHBondContact O-OG 3.47Å
439	V	51.1	Low	72.4	Confident	72 Å²	72	56 Å²	56	44%	0.436	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-30.8	-173.5	171.9	0	0	0	0	111.8	R435 S443	R435-V439 VanDerWaalsContact O-CG2 3.25Å; R435-V439 WeakPolarHBondContact O-CG2 3.49Å; R435-V439 PolarHBondContact O-N 3.02Å; V439-S443 PolarHBondContact O-OG 3.31Å
440	A	50	Low	72.1	Confident	14 Å²	14	59.8 Å²	59.8	12%	0.116	33%	0.328	C	S	.	.	H	α-helix	trans	-89.4	-33	-172.1	0	0	0	0	0	115.6	K438 T721 E725	K438-A440 PolarHBondContact O-N 3.2Å; A440-T721 HydrophobicContact CB-CG2 3.53Å; A440-E725 WeakPolarHBondContact CB-OE1 3.49Å; A440-E725 VanDerWaalsContact CB-OE2 3.25Å; A440-E725 WeakPolarHBondContact CB-OE2 3.28Å
441	V	53.8	Low	71.8	Confident	111 Å²	111	63.5 Å²	63.5	67%	0.673	35%	0.345	S	S	*	.	H	α-helix	trans	-110.1	-30.6	-177.4	-174.5	0	0	0	0	113.1
442	S	54.9	Low	71.5	Confident	86 Å²	86	61.8 Å²	61.8	60%	0.601	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-14.7	-175.4	72.8	0	0	0	0	114.8	K438	K438-S442 WeakPolarHBondContact CB-OG 3.25Å; K438-S442 WeakPolarHBondContact O-CB 3.16Å; K438-S442 PolarHBondContact O-N 3.29Å; K438-S442 VanDerWaalsContact O-N 3.07Å; K438-S442 PolarHBondContact O-OG 3.47Å
443	S	58.4	Low	71.2	Confident	43 Å²	43	65.1 Å²	65.1	30%	0.301	35%	0.354	S	S	.	.	S	Bend	trans	-89.2	-8.7	177.7	78.3	0	0	0	0	114.1	V439 T445 K718	V439-S443 PolarHBondContact O-OG 3.31Å; S443-T445 PolarHBondContact O-N 3.45Å; S443-K718 PolarHBondContact O-NZ 2.96Å
444	L	66.6	Low	71.2	Confident	28 Å²	28	73.6 Å²	73.6	15%	0.147	39%	0.385	C	S	.	.			trans	-90.3	102.6	174	-86.8	75.4	0	0	0	108.3	V449 I452 K718 Y722	L444-V449 HydrophobicContact CB-CG2 4.2Å; L444-V449 HydrophobicContact CD2-CG2 3.9Å; L444-V449 HydrophobicContact CG-CG2 4.47Å; L444-I452 HydrophobicContact CD2-CD1 4.39Å; L444-K718 HydrophobicContact CD1-CB 4.42Å; L444-Y722 HydrophobicContact CD2-CD2 3.41Å; L444-Y722 VanDerWaalsContact CD2-CD2 3.41Å; L444-Y722 HydrophobicContact CD2-CE2 4.31Å; L444-Y722 HydrophobicContact CD2-CG 4.14Å
445	T	73.4	Confident	71.3	Confident	71 Å²	71	72.5 Å²	72.5	44%	0.436	38%	0.381	S	S	.	.			trans	-69	155	162.1	61.1	0	0	0	0	109.2	S443 D447 D448 V449	S443-T445 PolarHBondContact O-N 3.45Å; T445-D447 PolarHBondContact O-N 2.99Å; T445-D448 WeakPolarHBondContact CB-OD2 2.95Å; T445-D448 PolarHBondContact N-OD2 3.48Å; T445-D448 WeakPolarHBondContact O-CB 3.5Å; T445-D448 PolarHBondContact O-N 3.37Å; T445-D448 PolarHBondContact OG1-N 2.93Å; T445-D448 VanDerWaalsContact OG1-N 3.08Å; T445-D448 PolarHBondContact OG1-OD2 3.4Å; T445-V449 PolarHBondContact O-N 3.09Å; T445-V449 VanDerWaalsContact O-N 3.09Å
446	D	79.9	Confident	71.9	Confident	135 Å²	135	70.9 Å²	70.9	72%	0.722	38%	0.378	S	S	*	.	H	α-helix	trans	-56.3	-32.8	172.7	-64.8	-27	0	0	0	110.7	V449 D450	D446-V449 PolarHBondContact O-N 3.43Å; D446-D450 PolarHBondContact O-N 2.97Å
447	D	83	Confident	72.9	Confident	127 Å²	127	73.7 Å²	73.7	68%	0.679	40%	0.399	S	S	*	.	H	α-helix	trans	-64.4	-41.3	174.4	-64	-23.1	0	0	0	112.5	T445 V449 D450 E451	T445-D447 PolarHBondContact O-N 2.99Å; D447-V449 VanDerWaalsContact C-N 3.34Å; D447-D450 PolarHBondContact O-N 3.38Å; D447-E451 PolarHBondContact O-N 3.2Å
448	D	81.9	Confident	74.3	Confident	22 Å²	22	71.1 Å²	71.1	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-64.5	-40.5	175.8	-66.7	-61.8	0	0	0	111.1	T445 D450 E451 I452 K718	T445-D448 WeakPolarHBondContact CB-OD2 2.95Å; T445-D448 PolarHBondContact N-OD2 3.48Å; T445-D448 WeakPolarHBondContact O-CB 3.5Å; T445-D448 PolarHBondContact O-N 3.37Å; T445-D448 PolarHBondContact OG1-N 2.93Å; T445-D448 VanDerWaalsContact OG1-N 3.08Å; T445-D448 PolarHBondContact OG1-OD2 3.4Å; D448-D450 VanDerWaalsContact C-N 3.33Å; D448-E451 PolarHBondContact O-N 2.83Å; D448-I452 WeakPolarHBondContact O-CB 3.19Å; D448-I452 WeakPolarHBondContact O-CD1 3Å; D448-I452 WeakPolarHBondContact O-CG1 3.32Å; D448-I452 PolarHBondContact O-N 2.65Å; D448-K718 HydrophobicContact CB-CD 4.26Å; D448-K718 IonicContact OD1-NZ 3.68Å; D448-K718 PolarHBondContact OD1-NZ 2.77Å; D448-K718 IonicContact OD2-NZ 3.98Å; D448-K718 PolarHBondContact OD2-NZ 3.46Å
449	V	84.1	Confident	75.7	Confident	35 Å²	35	71.9 Å²	71.9	21%	0.212	40%	0.399	C	S	.	.	H	α-helix	trans	-62.7	-44.2	176.9	176.8	0	0	0	0	109.9	L444 T445 D446 D447 E451 I452 M453 Y722	L444-V449 HydrophobicContact CB-CG2 4.2Å; L444-V449 HydrophobicContact CD2-CG2 3.9Å; L444-V449 HydrophobicContact CG-CG2 4.47Å; T445-V449 PolarHBondContact O-N 3.09Å; T445-V449 VanDerWaalsContact O-N 3.09Å; D446-V449 PolarHBondContact O-N 3.43Å; D447-V449 VanDerWaalsContact C-N 3.34Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 3.25Å; V449-I452 WeakPolarHBondContact O-CB 3.34Å; V449-I452 PolarHBondContact O-N 3.13Å; V449-M453 HydrophobicContact CG1-CG 4.32Å; V449-M453 WeakPolarHBondContact O-CB 3.47Å; V449-M453 VanDerWaalsContact O-CG 3.24Å; V449-M453 WeakPolarHBondContact O-CG 3.3Å; V449-M453 PolarHBondContact O-N 3.32Å; V449-Y722 HydrophobicContact CG1-CE2 4.08Å; V449-Y722 HydrophobicContact CG2-CE2 4.29Å
450	D	87.4	Confident	77.2	Confident	85 Å²	85	73.5 Å²	73.5	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-40.1	176.3	-82.8	-5.8	0	0	0	112	D446 D447 D448 M453 R454	D446-D450 PolarHBondContact O-N 2.97Å; D447-D450 PolarHBondContact O-N 3.38Å; D448-D450 VanDerWaalsContact C-N 3.33Å; D450-M453 PolarHBondContact O-N 3.42Å; D450-R454 VanDerWaalsContact O-CG 3.26Å; D450-R454 WeakPolarHBondContact O-CG 3.42Å; D450-R454 PolarHBondContact O-N 3.48Å
451	E	86	Confident	78.9	Confident	90 Å²	90	72.9 Å²	72.9	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-44.8	174.8	-169.3	174.8	-172.2	0	0	111.8	D447 D448 V449 M453 R454 L455 L715	D447-E451 PolarHBondContact O-N 3.2Å; D448-E451 PolarHBondContact O-N 2.83Å; V449-E451 VanDerWaalsContact C-N 3.32Å; V449-E451 PolarHBondContact O-N 3.25Å; E451-M453 VanDerWaalsContact C-N 3.29Å; E451-M453 PolarHBondContact O-N 2.72Å; E451-R454 PolarHBondContact O-N 2.86Å; E451-L455 HydrophobicContact CG-CD1 4.46Å; E451-L455 WeakPolarHBondContact O-CG 3.06Å; E451-L455 PolarHBondContact O-N 2.98Å; E451-L715 HydrophobicContact CG-CD1 4.32Å; E451-L715 HydrophobicContact CG-CD2 4.02Å; E451-L715 WeakPolarHBondContact OE1-CD2 3.36Å
452	I	86.3	Confident	80.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-57.5	-43.8	174.8	-73.7	166.2	0	0	0	110.6	L444 D448 V449 L455 S456 L715 K718 Y719 Y722 L778	L444-I452 HydrophobicContact CD2-CD1 4.39Å; D448-I452 WeakPolarHBondContact O-CB 3.19Å; D448-I452 WeakPolarHBondContact O-CD1 3Å; D448-I452 WeakPolarHBondContact O-CG1 3.32Å; D448-I452 PolarHBondContact O-N 2.65Å; V449-I452 WeakPolarHBondContact O-CB 3.34Å; V449-I452 PolarHBondContact O-N 3.13Å; I452-L455 PolarHBondContact O-N 3.25Å; I452-S456 WeakPolarHBondContact O-CB 3.13Å; I452-S456 PolarHBondContact O-N 3.4Å; I452-L715 HydrophobicContact CG1-CD1 4.17Å; I452-K718 HydrophobicContact CD1-CB 4.27Å; I452-Y719 HydrophobicContact CB-CD2 4.28Å; I452-Y719 HydrophobicContact CG1-CD2 4.14Å; I452-Y719 HydrophobicContact CG2-CD2 3.67Å; I452-Y719 HydrophobicContact CG2-CE2 3.89Å; I452-Y722 HydrophobicContact CD1-CG 4.45Å; I452-Y722 HydrophobicContact CG2-CD1 3.84Å; I452-Y722 HydrophobicContact CG2-CE1 4.23Å; I452-Y722 HydrophobicContact CG2-CG 4.31Å; I452-L778 HydrophobicContact CG2-CD1 3.7Å
453	M	87	Confident	81.8	Confident	87 Å²	87	67.4 Å²	67.4	43%	0.429	36%	0.36	S	S	.	.	H	α-helix	trans	-67.4	-41.2	179.2	-71.7	-61.5	-70	0	0	111.8	V449 D450 E451 S456 T457 L778	V449-M453 HydrophobicContact CG1-CG 4.32Å; V449-M453 WeakPolarHBondContact O-CB 3.47Å; V449-M453 VanDerWaalsContact O-CG 3.24Å; V449-M453 WeakPolarHBondContact O-CG 3.3Å; V449-M453 PolarHBondContact O-N 3.32Å; D450-M453 PolarHBondContact O-N 3.42Å; E451-M453 VanDerWaalsContact C-N 3.29Å; E451-M453 PolarHBondContact O-N 2.72Å; M453-S456 PolarHBondContact O-N 3.3Å; M453-S456 PolarHBondContact O-OG 2.82Å; M453-T457 PolarHBondContact O-N 2.65Å; M453-T457 PolarHBondContact O-OG1 2.77Å; M453-T457 VanDerWaalsContact O-OG1 3.06Å; M453-L778 HydrophobicContact SD-CD1 4.26Å
454	R	88.5	Confident	83.1	Confident	185 Å²	185	66.9 Å²	66.9	70%	0.698	35%	0.352	S	S	*	.	H	α-helix	trans	-59.5	-47.5	173.6	-73.1	172.3	-166.2	179.8	8.8	111.3	D450 E451 S456 T457	D450-R454 VanDerWaalsContact O-CG 3.26Å; D450-R454 WeakPolarHBondContact O-CG 3.42Å; D450-R454 PolarHBondContact O-N 3.48Å; E451-R454 PolarHBondContact O-N 2.86Å; R454-S456 VanDerWaalsContact C-N 3.33Å; R454-S456 PolarHBondContact O-N 3.01Å; R454-T457 PolarHBondContact O-N 2.89Å
455	L	85.3	Confident	84.1	Confident	22 Å²	22	65.6 Å²	65.6	12%	0.115	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-37.6	178.1	-71.3	176.1	0	0	0	112.7	E451 I452 T457 D458 I461 L715	E451-L455 HydrophobicContact CG-CD1 4.46Å; E451-L455 WeakPolarHBondContact O-CG 3.06Å; E451-L455 PolarHBondContact O-N 2.98Å; I452-L455 PolarHBondContact O-N 3.25Å; L455-T457 PolarHBondContact O-N 3.43Å; L455-D458 WeakPolarHBondContact O-CB 3.25Å; L455-D458 PolarHBondContact O-N 2.82Å; L455-I461 HydrophobicContact CB-CD1 4.24Å; L455-L715 HydrophobicContact CD1-CD2 3.43Å; L455-L715 VanDerWaalsContact CD1-CD2 3.43Å; L455-L715 HydrophobicContact CD1-CG 4.21Å
456	S	84	Confident	84.9	Confident	21 Å²	21	63 Å²	63	15%	0.147	33%	0.328	C	S	.	.	H	α-helix	trans	-66.5	-22.5	-179.5	76.3	0	0	0	0	114	I452 M453 R454 D458 L778	I452-S456 WeakPolarHBondContact O-CB 3.13Å; I452-S456 PolarHBondContact O-N 3.4Å; M453-S456 PolarHBondContact O-N 3.3Å; M453-S456 PolarHBondContact O-OG 2.82Å; R454-S456 VanDerWaalsContact C-N 3.33Å; R454-S456 PolarHBondContact O-N 3.01Å; S456-D458 PolarHBondContact O-N 3.07Å; S456-L778 VanDerWaalsContact CB-CD1 3.41Å
457	T	84.1	Confident	85.1	Confident	113 Å²	113	57 Å²	57	69%	0.693	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-21.5	179.8	-55.7	0	0	0	0	111.5	M453 R454 L455	M453-T457 PolarHBondContact O-N 2.65Å; M453-T457 PolarHBondContact O-OG1 2.77Å; M453-T457 VanDerWaalsContact O-OG1 3.06Å; R454-T457 PolarHBondContact O-N 2.89Å; L455-T457 PolarHBondContact O-N 3.43Å
458	D	85	Confident	85.3	Confident	65 Å²	65	51 Å²	51	35%	0.348	27%	0.266	S	S	.	.	S	Bend	trans	-67.1	128.8	179.7	-71.8	-23.7	0	0	0	111.3	L455 S456 N460 I461 R464	L455-D458 WeakPolarHBondContact O-CB 3.25Å; L455-D458 PolarHBondContact O-N 2.82Å; S456-D458 PolarHBondContact O-N 3.07Å; D458-N460 PolarHBondContact O-N 3.21Å; D458-N460 VanDerWaalsContact O-N 3.15Å; D458-I461 WeakPolarHBondContact O-CB 3.43Å; D458-I461 WeakPolarHBondContact O-CG2 3.49Å; D458-I461 PolarHBondContact O-N 2.95Å; D458-R464 IonicContact OD2-NH1 3.66Å; D458-R464 PolarHBondContact OD2-NH1 3.4Å
459	P	79.6	Confident	85.5	Confident	98 Å²	98	50 Å²	50	64%	0.636	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.7	-179.4	25.1	-33.7	0	0	0	113.2
460	N	82	Confident	85.6	Confident	105 Å²	105	48.4 Å²	48.4	56%	0.561	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	14.6	-176.6	-62.7	-8.6	0	0	0	113.2	D458 T462 D463 R464	D458-N460 PolarHBondContact O-N 3.21Å; D458-N460 VanDerWaalsContact O-N 3.15Å; N460-T462 PolarHBondContact O-N 3.07Å; N460-T462 VanDerWaalsContact O-N 3.16Å; N460-D463 PolarHBondContact O-N 2.95Å; N460-R464 PolarHBondContact O-N 3.24Å
461	I	86.2	Confident	85.4	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-55.8	-33.9	-178.6	-172.9	56.3	0	0	0	112.7	L455 D458 D463 R464 I465 I711 R777	L455-I461 HydrophobicContact CB-CD1 4.24Å; D458-I461 WeakPolarHBondContact O-CB 3.43Å; D458-I461 WeakPolarHBondContact O-CG2 3.49Å; D458-I461 PolarHBondContact O-N 2.95Å; I461-D463 PolarHBondContact O-N 2.77Å; I461-R464 WeakPolarHBondContact O-CB 3.5Å; I461-R464 PolarHBondContact O-N 3.25Å; I461-I465 HydrophobicContact CD1-CD1 4.24Å; I461-I465 HydrophobicContact CD1-CG1 4.28Å; I461-I465 HydrophobicContact CG1-CD1 3.9Å; I461-I465 HydrophobicContact CG1-CG1 4.39Å; I461-I465 VanDerWaalsContact O-CG1 3.32Å; I461-I465 WeakPolarHBondContact O-CG1 3.41Å; I461-I465 PolarHBondContact O-N 3.18Å; I461-I711 HydrophobicContact CD1-CD1 3.97Å; I461-R777 HydrophobicContact CG2-CG 4.26Å
462	T	84.4	Confident	85.3	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.037	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-46.5	-179.8	52.3	0	0	0	0	111.7	N460 I465 F466 H773 L776 R777	N460-T462 PolarHBondContact O-N 3.07Å; N460-T462 VanDerWaalsContact O-N 3.16Å; T462-I465 PolarHBondContact O-N 2.86Å; T462-F466 WeakPolarHBondContact O-CD2 3.44Å; T462-F466 WeakPolarHBondContact O-CG 3.44Å; T462-F466 PolarHBondContact O-N 2.94Å; T462-H773 VanDerWaalsContact CG2-NE2 3.28Å; T462-H773 WeakPolarHBondContact CG2-NE2 3.45Å; T462-L776 HydrophobicContact CG2-CD2 4.13Å; T462-R777 HydrophobicContact CG2-CG 3.82Å
463	D	84.3	Confident	85.3	Confident	76 Å²	76	47.3 Å²	47.3	41%	0.406	26%	0.256	S	S	.	.	H	α-helix	trans	-74.3	-31.9	-178.5	-59.6	-33.5	0	0	0	111.4	N460 I461 F466 A467	N460-D463 PolarHBondContact O-N 2.95Å; I461-D463 PolarHBondContact O-N 2.77Å; D463-F466 PolarHBondContact O-N 2.81Å; D463-A467 WeakPolarHBondContact O-CB 3.38Å; D463-A467 PolarHBondContact O-N 2.87Å
464	R	86.1	Confident	85.2	Confident	31 Å²	31	47 Å²	47	12%	0.117	25%	0.251	C	S	.	.	H	α-helix	trans	-60.6	-45	170.2	-68.2	-177.4	72	179.5	1.6	111.4	D458 N460 I461 A467 S468 I708 E709 I711	D458-R464 IonicContact OD2-NH1 3.66Å; D458-R464 PolarHBondContact OD2-NH1 3.4Å; N460-R464 PolarHBondContact O-N 3.24Å; I461-R464 WeakPolarHBondContact O-CB 3.5Å; I461-R464 PolarHBondContact O-N 3.25Å; R464-A467 PolarHBondContact O-N 3.44Å; R464-S468 WeakPolarHBondContact O-CB 3.49Å; R464-S468 PolarHBondContact O-N 3.33Å; R464-S468 PolarHBondContact O-OG 3.2Å; R464-I708 HydrophobicContact CB-CG2 4.27Å; R464-I708 HydrophobicContact CG-CG2 3.68Å; R464-E709 PolarHBondContact NE-O 2.79Å; R464-E709 PolarHBondContact NH2-O 3.22Å; R464-E709 VanDerWaalsContact NH2-O 3.16Å; R464-E709 IonicContact NH2-OE2 2.72Å; R464-I711 HydrophobicContact CB-CD1 4.1Å; R464-I711 HydrophobicContact CB-CG1 4.41Å
465	I	88.5	Confident	84.9	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-65.9	-45	178	-66.6	166.8	0	0	0	110.4	I461 T462 A467 S468 I469 I711 L716 Y719 L776	I461-I465 HydrophobicContact CD1-CD1 4.24Å; I461-I465 HydrophobicContact CD1-CG1 4.28Å; I461-I465 HydrophobicContact CG1-CD1 3.9Å; I461-I465 HydrophobicContact CG1-CG1 4.39Å; I461-I465 VanDerWaalsContact O-CG1 3.32Å; I461-I465 WeakPolarHBondContact O-CG1 3.41Å; I461-I465 PolarHBondContact O-N 3.18Å; T462-I465 PolarHBondContact O-N 2.86Å; I465-A467 VanDerWaalsContact C-N 3.28Å; I465-A467 PolarHBondContact O-N 2.78Å; I465-S468 PolarHBondContact O-N 2.82Å; I465-I469 HydrophobicContact CG2-CD1 3.88Å; I465-I469 HydrophobicContact CG2-CG1 4.5Å; I465-I469 WeakPolarHBondContact O-CG1 3.08Å; I465-I469 PolarHBondContact O-N 3.45Å; I465-I469 VanDerWaalsContact O-N 3.1Å; I465-I711 HydrophobicContact CG1-CD1 3.91Å; I465-L716 HydrophobicContact CG1-CD1 4.34Å; I465-L716 HydrophobicContact CG2-CD1 4.04Å; I465-Y719 HydrophobicContact CD1-CD1 4.16Å; I465-Y719 HydrophobicContact CD1-CE1 3.63Å; I465-L776 HydrophobicContact CB-CD1 4.48Å; I465-L776 HydrophobicContact CD1-CD1 3.57Å; I465-L776 HydrophobicContact CD1-CG 3.82Å; I465-L776 HydrophobicContact CG2-CD1 3.98Å
466	F	88.7	Confident	84.8	Confident	15 Å²	15	41.5 Å²	41.5	7%	0.066	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-36.7	177.6	-57.9	-30.3	0	0	0	112.7	T462 D463 R481 A484 L776	T462-F466 WeakPolarHBondContact O-CD2 3.44Å; T462-F466 WeakPolarHBondContact O-CG 3.44Å; T462-F466 PolarHBondContact O-N 2.94Å; D463-F466 PolarHBondContact O-N 2.81Å; F466-R481 HydrophobicContact CD1-CB 4.28Å; F466-R481 HydrophobicContact CD1-CG 4.37Å; F466-R481 HydrophobicContact CE1-CB 4.24Å; F466-R481 HydrophobicContact CE1-CG 3.86Å; F466-R481 HydrophobicContact CE2-CG 4.03Å; F466-R481 HydrophobicContact CZ-CB 4.43Å; F466-R481 HydrophobicContact CZ-CG 3.68Å; F466-A484 HydrophobicContact CD1-CB 3.69Å; F466-A484 HydrophobicContact CE1-CB 3.67Å; F466-L776 HydrophobicContact CE1-CD2 3.86Å; F466-L776 HydrophobicContact CZ-CD2 4Å
467	A	85	Confident	84.9	Confident	11 Å²	11	45.1 Å²	45.1	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-71.5	-30.5	174.8	0	0	0	0	0	112.9	D463 R464 I465 I708 L710	D463-A467 WeakPolarHBondContact O-CB 3.38Å; D463-A467 PolarHBondContact O-N 2.87Å; R464-A467 PolarHBondContact O-N 3.44Å; I465-A467 VanDerWaalsContact C-N 3.28Å; I465-A467 PolarHBondContact O-N 2.78Å; A467-I708 HydrophobicContact CB-CG2 4.35Å; A467-L710 HydrophobicContact CB-CD2 4.36Å
468	S	86.5	Confident	85	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-79	-20.8	-178.5	-56.5	0	0	0	0	113.1	R464 I465 Y523 I711 Q713	R464-S468 WeakPolarHBondContact O-CB 3.49Å; R464-S468 PolarHBondContact O-N 3.33Å; R464-S468 PolarHBondContact O-OG 3.2Å; I465-S468 PolarHBondContact O-N 2.82Å; S468-Y523 PolarHBondContact O-OH 2.89Å; S468-I711 PolarHBondContact OG-N 3.28Å; S468-Q713 PolarHBondContact O-NE2 3.06Å
469	I	86.8	Confident	85.3	Confident	1 Å²	1	41 Å²	41	1%	0.005	22%	0.223	C	C	.	.	S	Bend	trans	-77.1	127.5	175.7	-71	165.3	0	0	0	110.3	I465 K480 A484 Y523 L716	I465-I469 HydrophobicContact CG2-CD1 3.88Å; I465-I469 HydrophobicContact CG2-CG1 4.5Å; I465-I469 WeakPolarHBondContact O-CG1 3.08Å; I465-I469 PolarHBondContact O-N 3.45Å; I465-I469 VanDerWaalsContact O-N 3.1Å; I469-K480 HydrophobicContact CG2-CB 4.36Å; I469-K480 HydrophobicContact CG2-CG 4.43Å; I469-K480 WeakPolarHBondContact O-CD 3.12Å; I469-K480 WeakPolarHBondContact O-CE 3.11Å; I469-K480 PolarHBondContact O-NZ 3.14Å; I469-A484 VanDerWaalsContact CD1-CA 3.48Å; I469-A484 HydrophobicContact CD1-CB 3.2Å; I469-Y523 HydrophobicContact CB-CE1 4.33Å; I469-Y523 HydrophobicContact CG2-CD1 4.43Å; I469-Y523 HydrophobicContact CG2-CE1 3.93Å; I469-L716 HydrophobicContact CG1-CD2 4.35Å
470	A	85.4	Confident	85.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.			trans	48.5	68.8	-178.1	0	0	0	0	0	112.6	S472 I473 K480 F520 Y523	A470-S472 PolarHBondContact O-N 3.44Å; A470-I473 HydrophobicContact CB-CD1 4.4Å; A470-I473 PolarHBondContact O-N 3.13Å; A470-K480 PolarHBondContact O-NZ 2.69Å; A470-F520 HydrophobicContact CB-CD1 3.85Å; A470-F520 HydrophobicContact CB-CE1 3.77Å; A470-Y523 HydrophobicContact CB-CD1 4.03Å; A470-Y523 HydrophobicContact CB-CE1 4.42Å; A470-Y523 HydrophobicContact CB-CG 4.24Å; A470-Y523 VanDerWaalsContact N-CZ 3.32Å
471	P	83.4	Confident	86.3	Confident	61 Å²	61	33.1 Å²	33.1	40%	0.396	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.8	-178.5	27.8	-35.1	0	0	0	112.5	I473 F666	P471-I473 VanDerWaalsContact C-N 3.27Å; P471-I473 PolarHBondContact O-N 2.89Å; P471-F666 WeakPolarHBondContact O-CZ 3.24Å
472	S	84	Confident	86.6	Confident	74 Å²	74	33.1 Å²	33.1	52%	0.517	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.4	179.1	56.6	0	0	0	0	114.5	A470 F666	A470-S472 PolarHBondContact O-N 3.44Å; S472-F666 VanDerWaalsContact O-CE1 3.3Å; S472-F666 WeakPolarHBondContact O-CE1 3.43Å
473	I	86.3	Confident	87	Confident	17 Å²	17	32.8 Å²	32.8	9%	0.087	17%	0.171	C	C	.	.	S	Bend	trans	-116.4	120.8	-178.7	-57	171	0	0	0	108.2	A470 P471 K480 A516 Q519 F520	A470-I473 HydrophobicContact CB-CD1 4.4Å; A470-I473 PolarHBondContact O-N 3.13Å; P471-I473 VanDerWaalsContact C-N 3.27Å; P471-I473 PolarHBondContact O-N 2.89Å; I473-K480 WeakPolarHBondContact O-CE 3.47Å; I473-K480 PolarHBondContact O-NZ 3.3Å; I473-A516 HydrophobicContact CD1-CB 4.1Å; I473-A516 HydrophobicContact CG1-CB 4.39Å; I473-Q519 HydrophobicContact CD1-CB 4Å; I473-F520 HydrophobicContact CB-CE1 4.25Å; I473-F520 HydrophobicContact CB-CZ 4.01Å; I473-F520 HydrophobicContact CD1-CD1 3.68Å; I473-F520 HydrophobicContact CD1-CD2 3.76Å; I473-F520 HydrophobicContact CD1-CE1 3.58Å; I473-F520 HydrophobicContact CD1-CE2 3.66Å; I473-F520 HydrophobicContact CD1-CG 3.77Å; I473-F520 HydrophobicContact CD1-CZ 3.57Å; I473-F520 HydrophobicContact CG1-CE1 4.49Å; I473-F520 HydrophobicContact CG1-CZ 4.39Å; I473-F520 HydrophobicContact CG2-CE1 4.31Å; I473-F520 HydrophobicContact CG2-CE2 4.05Å; I473-F520 HydrophobicContact CG2-CZ 3.58Å
474	Y	84.4	Confident	87.4	Confident	81 Å²	81	29.3 Å²	29.3	32%	0.318	15%	0.153	S	C	.	.			trans	-75.8	139.6	174.3	-176.7	-100.5	0	0	0	110.5	R662	Y474-R662 HydrophobicContact CE1-CB 4.2Å; Y474-R662 WeakPolarHBondContact OH-CD 3.42Å
475	G	82.2	Confident	87.7	Confident	19 Å²	19	27.9 Å²	27.9	20%	0.196	15%	0.147	C	C	.	.	S	Bend	trans	76.5	-149.6	177.1	0	0	0	0	0	114.8	E477 K480	G475-E477 PolarHBondContact O-N 3.13Å; G475-K480 VanDerWaalsContact O-CE 3.26Å; G475-K480 WeakPolarHBondContact O-CE 3.26Å
476	H	84.5	Confident	87.9	Confident	73 Å²	73	27.9 Å²	27.9	34%	0.338	15%	0.147	S	C	.	.			trans	49.8	45.9	179.6	-59.6	-61.9	0	0	0	115.5	E478 I479 K480 F520 V651	H476-E478 PolarHBondContact O-N 3.3Å; H476-I479 HydrophobicContact CB-CB 4.27Å; H476-I479 HydrophobicContact CB-CD1 3.81Å; H476-I479 HydrophobicContact CB-CG1 4.08Å; H476-I479 PolarHBondContact O-N 3.05Å; H476-I479 VanDerWaalsContact O-N 3.12Å; H476-K480 WeakPolarHBondContact O-CG 3.35Å; H476-K480 PolarHBondContact O-N 2.72Å; H476-F520 HydrophobicContact CB-CZ 4.02Å; H476-V651 WeakPolarHBondContact CE1-CG1 3.49Å
477	E	85.5	Confident	88	Confident	96 Å²	96	27.3 Å²	27.3	45%	0.449	15%	0.145	S	C	.	.	H	α-helix	trans	-62.3	-29.9	-177.4	-59.9	-170.3	163.6	0	0	113.1	G475 K480 R481 R705	G475-E477 PolarHBondContact O-N 3.13Å; E477-K480 PolarHBondContact O-N 3.05Å; E477-R481 VanDerWaalsContact O-CB 3.24Å; E477-R481 WeakPolarHBondContact O-CB 3.2Å; E477-R481 PolarHBondContact O-N 3.43Å; E477-R705 IonicContact OE1-CZ 3Å; E477-R705 VanDerWaalsContact OE1-CZ 3.29Å; E477-R705 IonicContact OE1-NH1 3.1Å; E477-R705 PolarHBondContact OE1-NH1 2.79Å; E477-R705 IonicContact OE1-NH2 2.73Å; E477-R705 PolarHBondContact OE1-NH2 2.87Å
478	E	86.8	Confident	88.2	Confident	88 Å²	88	26.8 Å²	26.8	41%	0.411	14%	0.141	S	C	.	.	H	α-helix	trans	-62.7	-44.9	174.9	-61.5	173.7	163.8	0	0	111.7	H476 R481 A482 Q800	H476-E478 PolarHBondContact O-N 3.3Å; E478-R481 PolarHBondContact O-N 3.21Å; E478-A482 PolarHBondContact O-N 3.04Å; E478-Q800 VanDerWaalsContact CD-NE2 3.29Å; E478-Q800 PolarHBondContact OE1-NE2 3.43Å; E478-Q800 PolarHBondContact OE2-NE2 2.97Å
479	I	91.7	Very high	88.2	Confident	5 Å²	5	27 Å²	27	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-68.4	-45.2	177.5	-50.1	179.1	0	0	0	109.6	H476 R481 A482 L483 I509 F520 C649 V651	H476-I479 HydrophobicContact CB-CB 4.27Å; H476-I479 HydrophobicContact CB-CD1 3.81Å; H476-I479 HydrophobicContact CB-CG1 4.08Å; H476-I479 PolarHBondContact O-N 3.05Å; H476-I479 VanDerWaalsContact O-N 3.12Å; I479-R481 VanDerWaalsContact C-N 3.28Å; I479-R481 PolarHBondContact O-N 3.06Å; I479-A482 PolarHBondContact O-N 3.04Å; I479-A482 VanDerWaalsContact O-N 3.14Å; I479-L483 HydrophobicContact CG2-CD1 4Å; I479-L483 HydrophobicContact CG2-CG 4.2Å; I479-L483 WeakPolarHBondContact O-CB 3.31Å; I479-L483 VanDerWaalsContact O-CG 3.32Å; I479-L483 WeakPolarHBondContact O-CG 3.22Å; I479-L483 PolarHBondContact O-N 2.84Å; I479-I509 HydrophobicContact CD1-CG2 4.49Å; I479-I509 HydrophobicContact CG2-CD1 3.81Å; I479-I509 HydrophobicContact CG2-CG1 4.34Å; I479-F520 HydrophobicContact CD1-CE2 4.32Å; I479-C649 HydrophobicContact CG1-CB 4.02Å; I479-V651 HydrophobicContact CD1-CG2 3.39Å
480	K	91.8	Very high	88.1	Confident	8 Å²	8	27.2 Å²	27.2	4%	0.035	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-41.3	178	-68.3	-177.3	-180	-157.9	0	111.6	I469 A470 I473 G475 H476 E477 L483 A484 F520	I469-K480 HydrophobicContact CG2-CB 4.36Å; I469-K480 HydrophobicContact CG2-CG 4.43Å; I469-K480 WeakPolarHBondContact O-CD 3.12Å; I469-K480 WeakPolarHBondContact O-CE 3.11Å; I469-K480 PolarHBondContact O-NZ 3.14Å; A470-K480 PolarHBondContact O-NZ 2.69Å; I473-K480 WeakPolarHBondContact O-CE 3.47Å; I473-K480 PolarHBondContact O-NZ 3.3Å; G475-K480 VanDerWaalsContact O-CE 3.26Å; G475-K480 WeakPolarHBondContact O-CE 3.26Å; H476-K480 WeakPolarHBondContact O-CG 3.35Å; H476-K480 PolarHBondContact O-N 2.72Å; E477-K480 PolarHBondContact O-N 3.05Å; K480-L483 PolarHBondContact O-N 3.04Å; K480-A484 WeakPolarHBondContact O-CB 3.15Å; K480-A484 PolarHBondContact O-N 2.75Å; K480-F520 HydrophobicContact CG-CE1 4.21Å
481	R	91	Very high	88.2	Confident	29 Å²	29	29.4 Å²	29.4	11%	0.109	16%	0.155	C	C	.	.	H	α-helix	trans	-62.4	-47	174	-174.5	-174.5	-57.8	156.2	5	111.6	F466 E477 E478 I479 A484 L485 V793 E796	F466-R481 HydrophobicContact CD1-CB 4.28Å; F466-R481 HydrophobicContact CD1-CG 4.37Å; F466-R481 HydrophobicContact CE1-CB 4.24Å; F466-R481 HydrophobicContact CE1-CG 3.86Å; F466-R481 HydrophobicContact CE2-CG 4.03Å; F466-R481 HydrophobicContact CZ-CB 4.43Å; F466-R481 HydrophobicContact CZ-CG 3.68Å; E477-R481 VanDerWaalsContact O-CB 3.24Å; E477-R481 WeakPolarHBondContact O-CB 3.2Å; E477-R481 PolarHBondContact O-N 3.43Å; E478-R481 PolarHBondContact O-N 3.21Å; I479-R481 VanDerWaalsContact C-N 3.28Å; I479-R481 PolarHBondContact O-N 3.06Å; R481-A484 WeakPolarHBondContact O-CB 3.46Å; R481-A484 PolarHBondContact O-N 3.14Å; R481-L485 HydrophobicContact CG-CD1 4.27Å; R481-L485 WeakPolarHBondContact O-CG 3.28Å; R481-L485 PolarHBondContact O-N 2.92Å; R481-L485 VanDerWaalsContact O-N 3.1Å; R481-V793 HydrophobicContact CG-CG2 4.39Å; R481-E796 IonicContact NH1-OE2 3.95Å; R481-E796 PolarHBondContact NH1-OE2 3.2Å
482	A	92.4	Very high	88.3	Confident	1 Å²	1	29 Å²	29	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-45	178	0	0	0	0	0	112	E478 I479 A484 L485 A486 V507 V647	E478-A482 PolarHBondContact O-N 3.04Å; I479-A482 PolarHBondContact O-N 3.04Å; I479-A482 VanDerWaalsContact O-N 3.14Å; A482-A484 PolarHBondContact O-N 2.88Å; A482-L485 PolarHBondContact O-N 3.01Å; A482-A486 WeakPolarHBondContact O-CB 3.49Å; A482-A486 PolarHBondContact O-N 3.19Å; A482-V507 HydrophobicContact CB-CG1 4.26Å; A482-V507 HydrophobicContact CB-CG2 4.49Å; A482-V647 HydrophobicContact CB-CG1 3.85Å
483	L	93	Very high	88.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-38.3	177.4	-67.5	177.9	0	0	0	112.3	I479 K480 A486 L487 I509 F520 V524 I615	I479-L483 HydrophobicContact CG2-CD1 4Å; I479-L483 HydrophobicContact CG2-CG 4.2Å; I479-L483 WeakPolarHBondContact O-CB 3.31Å; I479-L483 VanDerWaalsContact O-CG 3.32Å; I479-L483 WeakPolarHBondContact O-CG 3.22Å; I479-L483 PolarHBondContact O-N 2.84Å; K480-L483 PolarHBondContact O-N 3.04Å; L483-A486 PolarHBondContact O-N 3.32Å; L483-L487 WeakPolarHBondContact O-CB 3.06Å; L483-L487 WeakPolarHBondContact O-CG 3.15Å; L483-L487 PolarHBondContact O-N 3.36Å; L483-I509 HydrophobicContact CD2-CD1 4.46Å; L483-F520 HydrophobicContact CD1-CB 4.04Å; L483-F520 HydrophobicContact CD1-CD1 3.77Å; L483-F520 HydrophobicContact CD1-CG 4.17Å; L483-V524 HydrophobicContact CD1-CG2 4.05Å; L483-V524 HydrophobicContact CD2-CG2 4.11Å; L483-V524 HydrophobicContact CG-CG2 4.45Å; L483-I615 HydrophobicContact CD2-CD1 3.96Å; L483-I615 HydrophobicContact CD2-CG2 3.86Å
484	A	92.3	Very high	88.2	Confident	2 Å²	2	32.1 Å²	32.1	2%	0.017	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-48.1	174.8	0	0	0	0	0	111.8	F466 I469 K480 R481 A482 A486 L487 V488	F466-A484 HydrophobicContact CD1-CB 3.69Å; F466-A484 HydrophobicContact CE1-CB 3.67Å; I469-A484 VanDerWaalsContact CD1-CA 3.48Å; I469-A484 HydrophobicContact CD1-CB 3.2Å; K480-A484 WeakPolarHBondContact O-CB 3.15Å; K480-A484 PolarHBondContact O-N 2.75Å; R481-A484 WeakPolarHBondContact O-CB 3.46Å; R481-A484 PolarHBondContact O-N 3.14Å; A482-A484 PolarHBondContact O-N 2.88Å; A484-A486 VanDerWaalsContact C-N 3.34Å; A484-L487 PolarHBondContact O-N 3.28Å; A484-V488 PolarHBondContact O-N 2.91Å
485	L	92.2	Very high	87.9	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-38.2	179.7	-65.3	170.8	0	0	0	111	R481 A482 S489 L769 A772 H773	R481-L485 HydrophobicContact CG-CD1 4.27Å; R481-L485 WeakPolarHBondContact O-CG 3.28Å; R481-L485 PolarHBondContact O-N 2.92Å; R481-L485 VanDerWaalsContact O-N 3.1Å; A482-L485 PolarHBondContact O-N 3.01Å; L485-S489 PolarHBondContact O-N 3.26Å; L485-S489 VanDerWaalsContact O-N 3.08Å; L485-L769 HydrophobicContact CB-CD2 4.17Å; L485-L769 HydrophobicContact CD1-CD2 3.79Å; L485-A772 HydrophobicContact CB-CB 4.35Å; L485-A772 HydrophobicContact CD2-CB 4.11Å; L485-H773 HydrophobicContact CD2-CB 4.1Å
486	A	92.3	Very high	87.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-38.3	176.4	0	0	0	0	0	113.2	A482 L483 A484 V488 S489 I505 V507 I615	A482-A486 WeakPolarHBondContact O-CB 3.49Å; A482-A486 PolarHBondContact O-N 3.19Å; L483-A486 PolarHBondContact O-N 3.32Å; A484-A486 VanDerWaalsContact C-N 3.34Å; A486-V488 VanDerWaalsContact C-N 3.35Å; A486-V488 PolarHBondContact O-N 3.49Å; A486-S489 PolarHBondContact O-N 3.47Å; A486-I505 HydrophobicContact CB-CG2 4.49Å; A486-V507 HydrophobicContact CB-CG2 3.78Å; A486-I615 HydrophobicContact CB-CD1 4.03Å; A486-I615 HydrophobicContact CB-CG1 4.5Å
487	L	91	Very high	87.4	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-36.1	178.9	-82.5	170.6	0	0	0	113.3	L483 A484 V524 T527 A528 V571 I720	L483-L487 WeakPolarHBondContact O-CB 3.06Å; L483-L487 WeakPolarHBondContact O-CG 3.15Å; L483-L487 PolarHBondContact O-N 3.36Å; A484-L487 PolarHBondContact O-N 3.28Å; L487-V524 HydrophobicContact CD2-CG1 3.96Å; L487-V524 HydrophobicContact CG-CG1 4.5Å; L487-T527 HydrophobicContact CD1-CG2 4.38Å; L487-A528 HydrophobicContact CD2-CB 3.75Å; L487-V571 HydrophobicContact CD2-CG2 4.42Å; L487-I720 HydrophobicContact CB-CD1 4.45Å; L487-I720 HydrophobicContact CB-CG2 4.34Å; L487-I720 HydrophobicContact CD1-CD1 4.17Å
488	V	88.9	Confident	87.1	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-80.8	-32.4	178.3	179.9	0	0	0	0	111.4	A484 A486 I720 A723 K775 L776	A484-V488 PolarHBondContact O-N 2.91Å; A486-V488 VanDerWaalsContact C-N 3.35Å; A486-V488 PolarHBondContact O-N 3.49Å; V488-I720 HydrophobicContact CG2-CG2 4.42Å; V488-A723 HydrophobicContact CG1-CB 4.38Å; V488-K775 HydrophobicContact CG1-CB 3.34Å; V488-K775 HydrophobicContact CG1-CD 3.97Å; V488-K775 HydrophobicContact CG1-CG 4.28Å; V488-L776 HydrophobicContact CG2-CD1 4.02Å
489	S	86.9	Confident	86.6	Confident	5 Å²	5	47 Å²	47	4%	0.035	25%	0.249	C	C	.	.			trans	61.8	169.2	-176.3	-168.2	0	0	0	0	113.4	L485 A486 G503 D504	L485-S489 PolarHBondContact O-N 3.26Å; L485-S489 VanDerWaalsContact O-N 3.08Å; A486-S489 PolarHBondContact O-N 3.47Å; S489-G503 PolarHBondContact OG-O 3.16Å; S489-D504 WeakPolarHBondContact OG-CA 3.46Å; S489-D504 PolarHBondContact OG-OD1 2.86Å; S489-D504 VanDerWaalsContact OG-OD1 3.06Å
490	G	85	Confident	86.2	Confident	6 Å²	6	51 Å²	51	6%	0.062	27%	0.266	C	S	.	.			trans	-88.4	-162	175.6	0	0	0	0	0	112.7	G503 K775	G490-G503 WeakPolarHBondContact CA-O 3.38Å; G490-G503 PolarHBondContact N-O 3.42Å; G490-K775 PolarHBondContact O-NZ 3.27Å
491	E	87.2	Confident	85.9	Confident	45 Å²	45	53.9 Å²	53.9	21%	0.21	28%	0.281	C	S	.	.			trans	-103.3	133	175.5	-168.9	62.1	-158.8	0	0	111.2	G503 H728 E771 K775	E491-G503 WeakPolarHBondContact O-CA 3.33Å; E491-H728 IonicContact OE1-CE1 3.91Å; E491-H728 IonicContact OE1-CG 3.74Å; E491-H728 IonicContact OE1-ND1 3.48Å; E491-H728 PolarHBondContact OE1-ND1 3.08Å; E491-H728 IonicContact OE2-CE1 3.04Å; E491-H728 IonicContact OE2-CG 2.95Å; E491-H728 IonicContact OE2-ND1 3.82Å; E491-H728 PolarHBondContact OE2-ND1 3.39Å; E491-E771 WeakPolarHBondContact CB-OE2 3.47Å; E491-E771 PolarHBondContact N-OE2 3.41Å; E491-K775 WeakPolarHBondContact OE2-CE 3.38Å; E491-K775 IonicContact OE2-NZ 3.96Å; E491-K775 PolarHBondContact OE2-NZ 3.33Å
492	S	85.7	Confident	85.8	Confident	54 Å²	54	53.4 Å²	53.4	38%	0.378	28%	0.279	S	S	.	.			trans	-80.3	120.6	174.5	-64	0	0	0	0	109.9
493	K	84.4	Confident	85.5	Confident	57 Å²	57	53.4 Å²	53.4	25%	0.248	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-115.2	136.9	-175.1	-60.8	-179.4	-172	-177.5	0	111.6	P495 I501 L731 E771	K493-P495 VanDerWaalsContact C-CD 3.43Å; K493-P495 VanDerWaalsContact O-CD 3.23Å; K493-P495 WeakPolarHBondContact O-CD 3.39Å; K493-I501 HydrophobicContact CB-CB 4.45Å; K493-I501 PolarHBondContact N-O 3.08Å; K493-I501 PolarHBondContact O-N 3.03Å; K493-L731 VanDerWaalsContact NZ-CG 3.35Å; K493-E771 WeakPolarHBondContact CE-OE1 3.45Å; K493-E771 IonicContact NZ-OE1 3.97Å; K493-E771 PolarHBondContact NZ-OE1 2.66Å
494	N	83.4	Confident	85.4	Confident	99 Å²	99	53.7 Å²	53.7	53%	0.529	28%	0.281	S	S	.	.			trans	-115.4	74.3	175.3	-70.1	-15	0	0	0	110.4	G496 K500	N494-G496 PolarHBondContact O-N 3.26Å; N494-G496 VanDerWaalsContact O-N 3.07Å; N494-K500 VanDerWaalsContact OD1-CA 3.29Å; N494-K500 WeakPolarHBondContact OD1-CA 3.39Å; N494-K500 WeakPolarHBondContact OD1-CB 3.18Å; N494-K500 WeakPolarHBondContact OD1-CG 3.2Å
495	P	78.8	Confident	85.4	Confident	72 Å²	72	53.6 Å²	53.6	47%	0.468	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-57.5	116.7	174.6	25.3	-35.7	0	0	0	110.7	K493 K497 K498 H499 I501	K493-P495 VanDerWaalsContact C-CD 3.43Å; K493-P495 VanDerWaalsContact O-CD 3.23Å; K493-P495 WeakPolarHBondContact O-CD 3.39Å; P495-K497 VanDerWaalsContact C-N 3.25Å; P495-K497 PolarHBondContact O-N 2.76Å; P495-K497 VanDerWaalsContact O-N 3.15Å; P495-K498 PolarHBondContact O-N 2.73Å; P495-H499 VanDerWaalsContact CD-O 3.26Å; P495-H499 WeakPolarHBondContact CD-O 3.44Å; P495-I501 HydrophobicContact CG-CD1 3.74Å; P495-I501 HydrophobicContact CG-CG1 4.09Å
496	G	77.6	Confident	85.5	Confident	71 Å²	71	53.6 Å²	53.6	73%	0.732	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	61.9	22.5	172.4	0	0	0	0	0	116.1	N494 K498	N494-G496 PolarHBondContact O-N 3.26Å; N494-G496 VanDerWaalsContact O-N 3.07Å; G496-K498 PolarHBondContact O-N 3.47Å
497	K	78.1	Confident	85.6	Confident	207 Å²	207	53.5 Å²	53.5	90%	0.9	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	56.6	12.6	-177.3	-61.2	-176.1	178.2	-178.6	0	115.8	P495	P495-K497 VanDerWaalsContact C-N 3.25Å; P495-K497 PolarHBondContact O-N 2.76Å; P495-K497 VanDerWaalsContact O-N 3.15Å
498	K	78.4	Confident	85.7	Confident	176 Å²	176	53.4 Å²	53.4	77%	0.765	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-48	-177.7	-71.4	-174.1	178.7	-174.7	0	113.6	P495 G496	P495-K498 PolarHBondContact O-N 2.73Å; G496-K498 PolarHBondContact O-N 3.47Å
499	H	77.6	Confident	85.9	Confident	143 Å²	143	53.3 Å²	53.3	66%	0.662	28%	0.278	S	S	*	.			trans	-129.4	123.3	-176.2	-59.4	-62.8	0	0	0	108.7	P495	P495-H499 VanDerWaalsContact CD-O 3.26Å; P495-H499 WeakPolarHBondContact CD-O 3.44Å
500	K	81.6	Confident	86.1	Confident	90 Å²	90	53.1 Å²	53.1	39%	0.391	28%	0.277	S	S	.	.			trans	-81.5	115.4	171.5	176.9	164.2	-176.7	-115.4	0	108.6	N494	N494-K500 VanDerWaalsContact OD1-CA 3.29Å; N494-K500 WeakPolarHBondContact OD1-CA 3.39Å; N494-K500 WeakPolarHBondContact OD1-CB 3.18Å; N494-K500 WeakPolarHBondContact OD1-CG 3.2Å
501	I	85.4	Confident	86.3	Confident	67 Å²	67	52.8 Å²	52.8	34%	0.344	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-81.7	126.4	172.3	-59.4	175.7	0	0	0	107.4	K493 P495	K493-I501 HydrophobicContact CB-CB 4.45Å; K493-I501 PolarHBondContact N-O 3.08Å; K493-I501 PolarHBondContact O-N 3.03Å; P495-I501 HydrophobicContact CG-CD1 3.74Å; P495-I501 HydrophobicContact CG-CG1 4.09Å
502	R	88.9	Confident	86.4	Confident	20 Å²	20	51.3 Å²	51.3	8%	0.075	27%	0.267	C	S	.	.			trans	-63.7	137.3	177.2	79	-172.4	-167.1	101.7	-0	110.8	D504 N506 Q595 R644 D646 R768	R502-D504 PolarHBondContact NH1-O 3.13Å; R502-N506 PolarHBondContact NH1-ND2 3.46Å; R502-Q595 HydrophobicContact CB-CG 4.24Å; R502-R644 PolarHBondContact NH2-O 3Å; R502-R644 VanDerWaalsContact NH2-O 3.17Å; R502-D646 IonicContact CZ-OD1 2.98Å; R502-D646 IonicContact CZ-OD2 3.46Å; R502-D646 IonicContact NH1-OD2 2.75Å; R502-D646 IonicContact NH2-OD1 3.4Å; R502-D646 PolarHBondContact NH2-OD1 3.34Å; R502-D646 IonicContact NH2-OD2 2.73Å; R502-D646 PolarHBondContact NH2-OD2 2.98Å; R502-R768 VanDerWaalsContact CG-CZ 3.43Å; R502-R768 VanDerWaalsContact CG-NH2 3.33Å; R502-R768 PolarHBondContact O-NE 3.19Å
503	G	86.4	Confident	86.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.			trans	-96.6	-11.2	172	0	0	0	0	0	114	S489 G490 E491	S489-G503 PolarHBondContact OG-O 3.16Å; G490-G503 WeakPolarHBondContact CA-O 3.38Å; G490-G503 PolarHBondContact N-O 3.42Å; E491-G503 WeakPolarHBondContact O-CA 3.33Å
504	D	91.3	Very high	86.5	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.037	31%	0.305	C	S	.	.			trans	-77.7	145.9	-172.3	-59.1	-41.3	0	0	0	113.3	S489 R502 Q595	S489-D504 WeakPolarHBondContact OG-CA 3.46Å; S489-D504 PolarHBondContact OG-OD1 2.86Å; S489-D504 VanDerWaalsContact OG-OD1 3.06Å; R502-D504 PolarHBondContact NH1-O 3.13Å; D504-Q595 PolarHBondContact OD2-NE2 3.4Å
505	I	93.1	Very high	86.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.			trans	-109.2	111.7	-176.9	-62.4	169.5	0	0	0	109.2	A486 V507 S613 D646 R768 L769 A772	A486-I505 HydrophobicContact CB-CG2 4.49Å; I505-V507 HydrophobicContact CG2-CG2 4.37Å; I505-S613 PolarHBondContact N-OG 3.42Å; I505-S613 PolarHBondContact O-OG 3.49Å; I505-D646 WeakPolarHBondContact CA-OD2 3.45Å; I505-D646 HydrophobicContact CG2-CB 4.21Å; I505-R768 HydrophobicContact CD1-CB 4.46Å; I505-R768 HydrophobicContact CG1-CB 4.06Å; I505-L769 HydrophobicContact CD1-CD2 4.07Å; I505-L769 HydrophobicContact CG2-CD2 4.18Å; I505-A772 HydrophobicContact CD1-CB 3.52Å
506	N	94	Very high	87	Confident	1 Å²	1	49 Å²	49	1%	0.005	28%	0.28	C	S	.	.			trans	-91.4	130.8	-179.3	-64.5	-26.7	0	0	0	110.6	R502 M592 V614 R644 F645 D646 V647	R502-N506 PolarHBondContact NH1-ND2 3.46Å; N506-M592 HydrophobicContact CB-CE 4.03Å; N506-M592 WeakPolarHBondContact ND2-CE 3.36Å; N506-V614 CarbonylContact C-O 3.59Å; N506-V614 VanDerWaalsContact CA-O 3.28Å; N506-V614 WeakPolarHBondContact CA-O 3.08Å; N506-V614 PolarHBondContact OD1-N 3.36Å; N506-R644 PolarHBondContact ND2-O 2.68Å; N506-R644 VanDerWaalsContact ND2-O 3.12Å; N506-F645 HydrophobicContact CB-CD1 3.64Å; N506-F645 HydrophobicContact CB-CE1 4.1Å; N506-F645 HydrophobicContact CB-CG 4.43Å; N506-D646 PolarHBondContact N-OD2 2.94Å; N506-D646 PolarHBondContact O-N 2.94Å; N506-V647 PolarHBondContact O-N 2.95Å
507	V	94	Very high	87.5	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.3	-178	-177.3	0	0	0	0	110.1	A482 A486 I505 I509 V614 I615 A616 V647	A482-V507 HydrophobicContact CB-CG1 4.26Å; A482-V507 HydrophobicContact CB-CG2 4.49Å; A486-V507 HydrophobicContact CB-CG2 3.78Å; I505-V507 HydrophobicContact CG2-CG2 4.37Å; V507-I509 HydrophobicContact CG1-CG1 4.28Å; V507-V614 PolarHBondContact N-O 3.28Å; V507-I615 HydrophobicContact CB-CG1 4.39Å; V507-I615 HydrophobicContact CB-CG2 4.45Å; V507-I615 WeakPolarHBondContact O-CA 3.39Å; V507-A616 PolarHBondContact O-N 3.31Å; V507-V647 WeakPolarHBondContact CA-O 3.43Å; V507-V647 HydrophobicContact CG2-CB 4.4Å
508	L	93.3	Very high	88	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	118.1	173.8	-179.1	63.4	0	0	0	110.1	F577 A616 A618 F631 L637 L642 F645 V647 F648 C649	L508-F577 HydrophobicContact CD1-CD1 4.41Å; L508-A616 HydrophobicContact CD1-CB 3.76Å; L508-A618 HydrophobicContact CD1-CB 4.13Å; L508-F631 HydrophobicContact CD2-CE1 3.95Å; L508-F631 HydrophobicContact CD2-CZ 3.83Å; L508-L637 HydrophobicContact CD2-CD1 4.15Å; L508-L642 HydrophobicContact CD2-CD2 4.06Å; L508-F645 HydrophobicContact CB-CB 4.47Å; L508-F645 HydrophobicContact CB-CD1 3.77Å; L508-F645 HydrophobicContact CB-CD2 4.35Å; L508-F645 HydrophobicContact CB-CE1 4.04Å; L508-F645 HydrophobicContact CB-CG 3.95Å; L508-F645 HydrophobicContact CB-CZ 4.43Å; L508-F645 HydrophobicContact CD1-CZ 4.44Å; L508-F645 HydrophobicContact CD2-CD2 4.32Å; L508-F645 HydrophobicContact CD2-CE2 4.43Å; L508-V647 PolarHBondContact N-O 3.23Å; L508-F648 HydrophobicContact CB-CD1 4.19Å; L508-F648 HydrophobicContact CD2-CD1 4.05Å; L508-F648 HydrophobicContact CD2-CE1 4.15Å; L508-C649 PolarHBondContact O-N 3.05Å
509	I	93.2	Very high	88.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.5	175.8	-51.2	175.4	0	0	0	108.4	I479 L483 V507 K517 A616 A617 A618 C649 V651	I479-I509 HydrophobicContact CD1-CG2 4.49Å; I479-I509 HydrophobicContact CG2-CD1 3.81Å; I479-I509 HydrophobicContact CG2-CG1 4.34Å; L483-I509 HydrophobicContact CD2-CD1 4.46Å; V507-I509 HydrophobicContact CG1-CG1 4.28Å; I509-K517 HydrophobicContact CG2-CD 4Å; I509-K517 HydrophobicContact CG2-CG 4.08Å; I509-A616 PolarHBondContact N-O 3.46Å; I509-A617 CarbonylContact O-C 3.46Å; I509-A617 WeakPolarHBondContact O-CA 3.37Å; I509-A618 PolarHBondContact O-N 3.47Å; I509-C649 WeakPolarHBondContact CA-O 3.39Å; I509-C649 HydrophobicContact CG1-CB 4.5Å; I509-V651 HydrophobicContact CG2-CG2 3.95Å
510	C	90.8	Very high	89.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.5	174.2	-178.7	0	0	0	0	109.5	A618 F631 V635 C649 V650 V651	C510-A618 WeakPolarHBondContact CA-O 3.17Å; C510-F631 HydrophobicContact CB-CE2 3.61Å; C510-F631 HydrophobicContact CB-CZ 3.9Å; C510-V635 HydrophobicContact CB-CG2 4.47Å; C510-V635 VanDerWaalsContact SG-CG2 3.55Å; C510-C649 PolarHBondContact N-O 3.44Å; C510-V650 CarbonylContact O-C 3.6Å; C510-V650 WeakPolarHBondContact O-CA 3.38Å; C510-V651 PolarHBondContact O-N 3.27Å
511	G	88.2	Confident	89.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-174.4	175.7	0	0	0	0	0	113.9	K517 P620 V651	G511-K517 VanDerWaalsContact C-NZ 3.26Å; G511-K517 VanDerWaalsContact CA-CE 3.46Å; G511-K517 VanDerWaalsContact N-CE 3.29Å; G511-K517 VanDerWaalsContact N-NZ 3.17Å; G511-K517 VanDerWaalsContact O-CE 3.23Å; G511-K517 WeakPolarHBondContact O-CE 3.35Å; G511-K517 PolarHBondContact O-NZ 2.9Å; G511-P620 WeakPolarHBondContact O-CD 3.41Å; G511-V651 WeakPolarHBondContact CA-O 3.43Å
512	D	89.6	Confident	90.1	Very high	14 Å²	14	25.8 Å²	25.8	8%	0.075	16%	0.157	C	C	.	.			trans	-70.1	149.6	-176	-55.5	-33.1	0	0	0	111.5	T515 R624 Y625 D653	D512-T515 HydrophobicContact CB-CG2 4.09Å; D512-T515 WeakPolarHBondContact O-CB 3.47Å; D512-T515 WeakPolarHBondContact O-CG2 3.35Å; D512-T515 PolarHBondContact O-N 3.08Å; D512-T515 PolarHBondContact O-OG1 3.46Å; D512-R624 VanDerWaalsContact OD1-CA 3.24Å; D512-R624 WeakPolarHBondContact OD1-CA 3.39Å; D512-Y625 PolarHBondContact OD1-N 3.32Å; D512-D653 PolarHBondContact OD2-N 2.81Å
513	P	87.8	Confident	90.2	Very high	87 Å²	87	26.2 Å²	26.2	57%	0.565	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	138.7	171.1	27.6	-32.6	0	0	0	109.4	G623	P513-G623 WeakPolarHBondContact CD-O 3.28Å
514	G	84.8	Confident	90.5	Very high	84 Å²	84	26.2 Å²	26.2	87%	0.866	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.6	-6	-176.7	0	0	0	0	0	115.3	A516	G514-A516 PolarHBondContact O-N 2.66Å
515	T	85.4	Confident	90.3	Very high	23 Å²	23	26.9 Å²	26.9	14%	0.141	17%	0.165	C	C	.	.	S	Bend	trans	-79.2	28.2	178.8	55.5	0	0	0	0	114.7	D512 K517 V651	D512-T515 HydrophobicContact CB-CG2 4.09Å; D512-T515 WeakPolarHBondContact O-CB 3.47Å; D512-T515 WeakPolarHBondContact O-CG2 3.35Å; D512-T515 PolarHBondContact O-N 3.08Å; D512-T515 PolarHBondContact O-OG1 3.46Å; T515-K517 PolarHBondContact O-N 3.11Å; T515-K517 VanDerWaalsContact OG1-CE 3.28Å; T515-K517 WeakPolarHBondContact OG1-CE 3.48Å; T515-K517 WeakPolarHBondContact OG1-CG 3.43Å; T515-V651 HydrophobicContact CG2-CG1 3.87Å
516	A	86.8	Confident	89.9	Confident	38 Å²	38	30.1 Å²	30.1	31%	0.314	19%	0.188	S	C	.	.	S	Bend	trans	56	16.6	179.3	0	0	0	0	0	117	I473 G514 S518 Q519 F520	I473-A516 HydrophobicContact CD1-CB 4.1Å; I473-A516 HydrophobicContact CG1-CB 4.39Å; G514-A516 PolarHBondContact O-N 2.66Å; A516-S518 PolarHBondContact O-N 2.95Å; A516-Q519 HydrophobicContact CB-CB 4.45Å; A516-Q519 HydrophobicContact CB-CG 4.49Å; A516-Q519 WeakPolarHBondContact O-CA 3.18Å; A516-Q519 WeakPolarHBondContact O-CB 3.46Å; A516-Q519 PolarHBondContact O-N 3.46Å; A516-F520 PolarHBondContact O-N 3.08Å
517	K	89	Confident	89.6	Confident	11 Å²	11	30.2 Å²	30.2	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-53.5	-47.8	-179	-55.7	-174.6	-146.5	150.9	0	114.2	I509 G511 T515 Q519 F520 L521 A617 A618 N619	I509-K517 HydrophobicContact CG2-CD 4Å; I509-K517 HydrophobicContact CG2-CG 4.08Å; G511-K517 VanDerWaalsContact C-NZ 3.26Å; G511-K517 VanDerWaalsContact CA-CE 3.46Å; G511-K517 VanDerWaalsContact N-CE 3.29Å; G511-K517 VanDerWaalsContact N-NZ 3.17Å; G511-K517 VanDerWaalsContact O-CE 3.23Å; G511-K517 WeakPolarHBondContact O-CE 3.35Å; G511-K517 PolarHBondContact O-NZ 2.9Å; T515-K517 PolarHBondContact O-N 3.11Å; T515-K517 VanDerWaalsContact OG1-CE 3.28Å; T515-K517 WeakPolarHBondContact OG1-CE 3.48Å; T515-K517 WeakPolarHBondContact OG1-CG 3.43Å; K517-Q519 PolarHBondContact O-N 3.03Å; K517-F520 WeakPolarHBondContact O-CB 3.28Å; K517-F520 PolarHBondContact O-N 3.23Å; K517-L521 PolarHBondContact O-N 2.88Å; K517-A617 HydrophobicContact CB-CB 4.24Å; K517-A617 HydrophobicContact CD-CB 4.41Å; K517-A618 PolarHBondContact NZ-O 3.09Å; K517-N619 PolarHBondContact NZ-OD1 3.08Å
518	S	89	Confident	89.1	Confident	36 Å²	36	30.7 Å²	30.7	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-25.1	178.6	-47.2	0	0	0	0	112.2	A516 L521 R522 D575	A516-S518 PolarHBondContact O-N 2.95Å; S518-L521 PolarHBondContact O-N 3.3Å; S518-R522 WeakPolarHBondContact O-CG 3.29Å; S518-R522 PolarHBondContact O-N 3.47Å; S518-D575 WeakPolarHBondContact CB-OD2 3.35Å; S518-D575 PolarHBondContact OG-OD2 2.85Å
519	Q	90	Very high	88.2	Confident	95 Å²	95	33.7 Å²	33.7	44%	0.444	21%	0.212	S	C	.	.	H	α-helix	trans	-73	-35	174.1	-60.7	-64.6	11.4	0	0	112.3	I473 A516 K517 L521 R522 Y523	I473-Q519 HydrophobicContact CD1-CB 4Å; A516-Q519 HydrophobicContact CB-CB 4.45Å; A516-Q519 HydrophobicContact CB-CG 4.49Å; A516-Q519 WeakPolarHBondContact O-CA 3.18Å; A516-Q519 WeakPolarHBondContact O-CB 3.46Å; A516-Q519 PolarHBondContact O-N 3.46Å; K517-Q519 PolarHBondContact O-N 3.03Å; Q519-L521 VanDerWaalsContact C-N 3.34Å; Q519-R522 VanDerWaalsContact NE2-NH1 3.16Å; Q519-R522 PolarHBondContact O-N 3.31Å; Q519-Y523 WeakPolarHBondContact O-CB 3.46Å; Q519-Y523 PolarHBondContact O-N 2.67Å
520	F	93.1	Very high	87.6	Confident	2 Å²	2	35.8 Å²	35.8	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-46.2	170.8	-75.8	-67.8	0	0	0	111.1	A470 I473 H476 I479 K480 L483 A516 K517 R522 Y523 V524	A470-F520 HydrophobicContact CB-CD1 3.85Å; A470-F520 HydrophobicContact CB-CE1 3.77Å; I473-F520 HydrophobicContact CB-CE1 4.25Å; I473-F520 HydrophobicContact CB-CZ 4.01Å; I473-F520 HydrophobicContact CD1-CD1 3.68Å; I473-F520 HydrophobicContact CD1-CD2 3.76Å; I473-F520 HydrophobicContact CD1-CE1 3.58Å; I473-F520 HydrophobicContact CD1-CE2 3.66Å; I473-F520 HydrophobicContact CD1-CG 3.77Å; I473-F520 HydrophobicContact CD1-CZ 3.57Å; I473-F520 HydrophobicContact CG1-CE1 4.49Å; I473-F520 HydrophobicContact CG1-CZ 4.39Å; I473-F520 HydrophobicContact CG2-CE1 4.31Å; I473-F520 HydrophobicContact CG2-CE2 4.05Å; I473-F520 HydrophobicContact CG2-CZ 3.58Å; H476-F520 HydrophobicContact CB-CZ 4.02Å; I479-F520 HydrophobicContact CD1-CE2 4.32Å; K480-F520 HydrophobicContact CG-CE1 4.21Å; L483-F520 HydrophobicContact CD1-CB 4.04Å; L483-F520 HydrophobicContact CD1-CD1 3.77Å; L483-F520 HydrophobicContact CD1-CG 4.17Å; A516-F520 PolarHBondContact O-N 3.08Å; K517-F520 WeakPolarHBondContact O-CB 3.28Å; K517-F520 PolarHBondContact O-N 3.23Å; F520-R522 PolarHBondContact O-N 3.18Å; F520-Y523 PolarHBondContact O-N 2.87Å; F520-V524 VanDerWaalsContact O-CG2 3.29Å; F520-V524 WeakPolarHBondContact O-CG2 3.38Å; F520-V524 PolarHBondContact O-N 2.85Å
521	L	92.1	Very high	87.3	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-46.1	177.7	-64.5	-179.1	0	0	0	111.8	K517 S518 Q519 Y523 V524 A525 L533 L573 D575 I615 A617	K517-L521 PolarHBondContact O-N 2.88Å; S518-L521 PolarHBondContact O-N 3.3Å; Q519-L521 VanDerWaalsContact C-N 3.34Å; L521-Y523 VanDerWaalsContact C-N 3.34Å; L521-Y523 PolarHBondContact O-N 2.95Å; L521-V524 PolarHBondContact O-N 3.24Å; L521-A525 PolarHBondContact O-N 3.42Å; L521-L533 HydrophobicContact CB-CD1 4.13Å; L521-L533 HydrophobicContact CD1-CD1 4.47Å; L521-L573 HydrophobicContact CB-CD2 4.49Å; L521-L573 HydrophobicContact CD2-CB 4.3Å; L521-L573 HydrophobicContact CD2-CD2 3.66Å; L521-L573 WeakPolarHBondContact O-CD1 3.47Å; L521-D575 HydrophobicContact CD1-CB 3.94Å; L521-I615 HydrophobicContact CD2-CB 4.45Å; L521-I615 HydrophobicContact CD2-CG2 3.67Å; L521-A617 HydrophobicContact CD1-CB 3.81Å; L521-A617 HydrophobicContact CG-CB 4.49Å
522	R	90.8	Very high	87.2	Confident	123 Å²	123	38.3 Å²	38.3	46%	0.464	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-40.6	177.4	-71.3	-179.2	-159	117.7	4.1	112.9	S518 Q519 F520 A525 S526 L533	S518-R522 WeakPolarHBondContact O-CG 3.29Å; S518-R522 PolarHBondContact O-N 3.47Å; Q519-R522 VanDerWaalsContact NE2-NH1 3.16Å; Q519-R522 PolarHBondContact O-N 3.31Å; F520-R522 PolarHBondContact O-N 3.18Å; R522-A525 WeakPolarHBondContact O-CB 3.39Å; R522-A525 PolarHBondContact O-N 3.45Å; R522-S526 PolarHBondContact O-N 2.91Å; R522-L533 HydrophobicContact CG-CD2 4.33Å
523	Y	91.6	Very high	87.1	Confident	28 Å²	28	41.4 Å²	41.4	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-47.5	175.6	176.3	-98.5	0	0	0	110.8	S468 I469 A470 Q519 F520 L521 A525 S526 T527 Q713	S468-Y523 PolarHBondContact O-OH 2.89Å; I469-Y523 HydrophobicContact CB-CE1 4.33Å; I469-Y523 HydrophobicContact CG2-CD1 4.43Å; I469-Y523 HydrophobicContact CG2-CE1 3.93Å; A470-Y523 HydrophobicContact CB-CD1 4.03Å; A470-Y523 HydrophobicContact CB-CE1 4.42Å; A470-Y523 HydrophobicContact CB-CG 4.24Å; A470-Y523 VanDerWaalsContact N-CZ 3.32Å; Q519-Y523 WeakPolarHBondContact O-CB 3.46Å; Q519-Y523 PolarHBondContact O-N 2.67Å; F520-Y523 PolarHBondContact O-N 2.87Å; L521-Y523 VanDerWaalsContact C-N 3.34Å; L521-Y523 PolarHBondContact O-N 2.95Å; Y523-A525 VanDerWaalsContact C-N 3.32Å; Y523-A525 PolarHBondContact O-N 2.75Å; Y523-S526 PolarHBondContact O-N 3.41Å; Y523-S526 VanDerWaalsContact O-N 3.11Å; Y523-S526 PolarHBondContact O-OG 2.86Å; Y523-T527 PolarHBondContact O-N 3.43Å; Y523-T527 PolarHBondContact O-OG1 3.15Å; Y523-Q713 PolarHBondContact OH-NE2 3.39Å; Y523-Q713 PolarHBondContact OH-OE1 3.33Å
524	V	92.2	Very high	87	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-40	177.6	174.8	0	0	0	0	111.5	L483 L487 F520 L521 S526 T527 A528 V571 L573 I615	L483-V524 HydrophobicContact CD1-CG2 4.05Å; L483-V524 HydrophobicContact CD2-CG2 4.11Å; L483-V524 HydrophobicContact CG-CG2 4.45Å; L487-V524 HydrophobicContact CD2-CG1 3.96Å; L487-V524 HydrophobicContact CG-CG1 4.5Å; F520-V524 VanDerWaalsContact O-CG2 3.29Å; F520-V524 WeakPolarHBondContact O-CG2 3.38Å; F520-V524 PolarHBondContact O-N 2.85Å; L521-V524 PolarHBondContact O-N 3.24Å; V524-S526 PolarHBondContact O-N 3.27Å; V524-T527 PolarHBondContact O-N 3.34Å; V524-A528 VanDerWaalsContact O-CB 3.26Å; V524-A528 WeakPolarHBondContact O-CB 3.19Å; V524-A528 PolarHBondContact O-N 2.74Å; V524-V571 HydrophobicContact CG1-CG1 4.23Å; V524-L573 HydrophobicContact CB-CD2 4Å; V524-L573 HydrophobicContact CG1-CD1 4.38Å; V524-L573 HydrophobicContact CG1-CD2 3.67Å; V524-I615 HydrophobicContact CG1-CD1 4.03Å
525	A	88.3	Confident	87.1	Confident	21 Å²	21	37 Å²	37	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-57	-38.3	175.8	0	0	0	0	0	112.1	L521 R522 Y523 L573	L521-A525 PolarHBondContact O-N 3.42Å; R522-A525 WeakPolarHBondContact O-CB 3.39Å; R522-A525 PolarHBondContact O-N 3.45Å; Y523-A525 VanDerWaalsContact C-N 3.32Å; Y523-A525 PolarHBondContact O-N 2.75Å; A525-L573 VanDerWaalsContact CA-CD1 3.44Å; A525-L573 HydrophobicContact CB-CD1 3.41Å; A525-L573 VanDerWaalsContact CB-CD1 3.41Å
526	S	84.5	Confident	86.6	Confident	68 Å²	68	35.9 Å²	35.9	48%	0.476	20%	0.203	S	C	.	.	H	α-helix	trans	-81.1	-26.2	-179	73.6	0	0	0	0	114.1	R522 Y523 V524 K717	R522-S526 PolarHBondContact O-N 2.91Å; Y523-S526 PolarHBondContact O-N 3.41Å; Y523-S526 VanDerWaalsContact O-N 3.11Å; Y523-S526 PolarHBondContact O-OG 2.86Å; V524-S526 PolarHBondContact O-N 3.27Å; S526-K717 VanDerWaalsContact O-CE 3.3Å; S526-K717 WeakPolarHBondContact O-CE 3.47Å; S526-K717 PolarHBondContact O-NZ 2.87Å
527	T	86.1	Confident	86.1	Confident	4 Å²	4	39.2 Å²	39.2	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-93.8	-32.9	-176	-59.3	0	0	0	0	112.4	L487 Y523 V524 K717 I720	L487-T527 HydrophobicContact CD1-CG2 4.38Å; Y523-T527 PolarHBondContact O-N 3.43Å; Y523-T527 PolarHBondContact O-OG1 3.15Å; V524-T527 PolarHBondContact O-N 3.34Å; T527-K717 HydrophobicContact CG2-CG 4.09Å; T527-I720 HydrophobicContact CG2-CD1 4.06Å
528	A	83.7	Confident	85	Confident	10 Å²	10	41.2 Å²	41.2	8%	0.083	24%	0.236	C	C	.	.	S	Bend	trans	-64.1	142.5	176.3	0	0	0	0	0	110.6	L487 V524 R530 V571	L487-A528 HydrophobicContact CD2-CB 3.75Å; V524-A528 VanDerWaalsContact O-CB 3.26Å; V524-A528 WeakPolarHBondContact O-CB 3.19Å; V524-A528 PolarHBondContact O-N 2.74Å; A528-R530 PolarHBondContact O-N 3.3Å; A528-V571 HydrophobicContact CB-CB 4.41Å; A528-V571 HydrophobicContact CB-CG2 4.17Å
529	P	75.7	Confident	83.6	Confident	62 Å²	62	39.8 Å²	39.8	40%	0.403	23%	0.226	S	C	.	.	S	Bend	trans	-62.8	-28.1	176.4	25.2	-33.9	0	0	0	112.2
530	R	80.9	Confident	81.7	Confident	45 Å²	45	39.7 Å²	39.7	17%	0.17	24%	0.236	C	C	.	.	S	Bend	trans	-145.9	85.5	179.2	-172.5	170.7	170.4	166.5	-3.6	110.5	E436 A528 L566 D568 G570 V571	E436-R530 IonicContact OE1-CZ 3.4Å; E436-R530 IonicContact OE1-NE 3.89Å; E436-R530 PolarHBondContact OE1-NE 2.72Å; E436-R530 IonicContact OE1-NH1 2.57Å; E436-R530 PolarHBondContact OE1-NH1 2.66Å; E436-R530 IonicContact OE2-CZ 2.66Å; E436-R530 IonicContact OE2-NE 3.99Å; E436-R530 IonicContact OE2-NH1 3.53Å; E436-R530 PolarHBondContact OE2-NH1 3.08Å; A528-R530 PolarHBondContact O-N 3.3Å; R530-L566 VanDerWaalsContact CZ-O 3.22Å; R530-L566 PolarHBondContact NE-O 2.97Å; R530-L566 PolarHBondContact NH2-O 2.94Å; R530-D568 WeakPolarHBondContact CD-O 3.35Å; R530-D568 PolarHBondContact NE-O 3.34Å; R530-G570 CarbonylContact O-C 3.56Å; R530-G570 WeakPolarHBondContact O-CA 3.15Å; R530-V571 PolarHBondContact O-N 2.7Å
531	G	83.3	Confident	79.8	Confident	19 Å²	19	43.7 Å²	43.7	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.1	-178.4	0	0	0	0	0	112.6	V571	G531-V571 WeakPolarHBondContact CA-O 3.47Å
532	V	86.5	Confident	78.2	Confident	34 Å²	34	45.9 Å²	45.9	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.8	174.1	-179.3	0	0	0	0	109	A563 L566 A567 V571 L573	V532-A563 HydrophobicContact CG1-CB 4.12Å; V532-L566 HydrophobicContact CG2-CB 4.01Å; V532-A567 HydrophobicContact CB-CB 4.27Å; V532-A567 HydrophobicContact CG2-CB 4.03Å; V532-V571 PolarHBondContact N-O 3.06Å; V532-V571 VanDerWaalsContact N-O 3.08Å; V532-L573 WeakPolarHBondContact O-CB 3.32Å; V532-L573 PolarHBondContact O-N 2.84Å
533	L	87.8	Confident	77.2	Confident	79 Å²	79	40.8 Å²	40.8	41%	0.414	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124	175.5	-177.7	67.5	0	0	0	110.3	L521 R522 L573	L521-L533 HydrophobicContact CB-CD1 4.13Å; L521-L533 HydrophobicContact CD1-CD1 4.47Å; R522-L533 HydrophobicContact CG-CD2 4.33Å; L533-L573 HydrophobicContact CD1-CB 3.71Å
534	T	86	Confident	76.4	Confident	22 Å²	22	39.5 Å²	39.5	14%	0.135	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	160.9	174.9	-169.5	0	0	0	0	110.7	L544 A563 L573 I574 D575	T534-L544 HydrophobicContact CG2-CD2 3.65Å; T534-A563 HydrophobicContact CG2-CB 4.41Å; T534-L573 PolarHBondContact N-O 3.17Å; T534-I574 HydrophobicContact CG2-CB 4.34Å; T534-I574 HydrophobicContact CG2-CG1 3.82Å; T534-I574 HydrophobicContact CG2-CG2 4.34Å; T534-I574 WeakPolarHBondContact O-CA 3.49Å; T534-D575 PolarHBondContact O-N 3.12Å
535	T	86.6	Confident	75.7	Confident	55 Å²	55	40.1 Å²	40.1	34%	0.337	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.6	173.1	161.2	0	0	0	0	108.8	Q537 G538 D575	T535-Q537 PolarHBondContact O-N 3.25Å; T535-Q537 VanDerWaalsContact O-N 3.14Å; T535-G538 PolarHBondContact O-N 2.95Å; T535-D575 CarbonylContact C-O 3.57Å; T535-D575 WeakPolarHBondContact CA-O 3.44Å
536	G	75.5	Confident	75.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.6	-179.2	0	0	0	0	0	114.6	D575	G536-D575 PolarHBondContact N-O 2.96Å
537	Q	76.2	Confident	75.1	Confident	109 Å²	109	39.9 Å²	39.9	51%	0.509	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-32.9	176.2	-65.6	-169.8	-35.6	0	0	113.8	T535 A539 S540 K579	T535-Q537 PolarHBondContact O-N 3.25Å; T535-Q537 VanDerWaalsContact O-N 3.14Å; Q537-A539 PolarHBondContact O-N 3.34Å; Q537-S540 PolarHBondContact O-OG 3.39Å; Q537-K579 HydrophobicContact CG-CB 3.63Å; Q537-K579 HydrophobicContact CG-CD 4.14Å
538	G	64.2	Low	74.9	Confident	52 Å²	52	40.2 Å²	40.2	54%	0.536	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	4.7	-172.2	0	0	0	0	0	114.8	T535 S540	T535-G538 PolarHBondContact O-N 2.95Å; G538-S540 PolarHBondContact O-N 3.41Å
539	A	60.3	Low	74.7	Confident	6 Å²	6	43.4 Å²	43.4	5%	0.05	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.4	176.8	0	0	0	0	0	114.2	Q537 A541 G543 L544	Q537-A539 PolarHBondContact O-N 3.34Å; A539-A541 PolarHBondContact O-N 2.97Å; A539-G543 CarbonylContact O-C 3.53Å; A539-G543 WeakPolarHBondContact O-CA 3.4Å; A539-G543 PolarHBondContact O-N 3.19Å; A539-L544 HydrophobicContact CB-CB 4.49Å; A539-L544 HydrophobicContact CB-CD1 4.35Å; A539-L544 HydrophobicContact CB-CD2 3.75Å; A539-L544 HydrophobicContact CB-CG 3.52Å
540	S	51.1	Low	74.9	Confident	93 Å²	93	46.6 Å²	46.6	65%	0.65	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.7	-163.9	49.4	0	0	0	0	117.4	Q537 G538	Q537-S540 PolarHBondContact O-OG 3.39Å; G538-S540 PolarHBondContact O-N 3.41Å
541	A	52.7	Low	74.5	Confident	86 Å²	86	45 Å²	45	71%	0.711	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-45.7	178.9	0	0	0	0	0	113.6	A539	A539-A541 PolarHBondContact O-N 2.97Å
542	V	58.5	Low	73.8	Confident	47 Å²	47	48.7 Å²	48.7	29%	0.285	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-19.1	177.6	-178.7	0	0	0	0	111.5	H547 E560	V542-H547 WeakPolarHBondContact O-CB 3.41Å; V542-E560 HydrophobicContact CG1-CB 4.32Å; V542-E560 HydrophobicContact CG1-CG 3.71Å
543	G	68.9	Low	72.9	Confident	17 Å²	17	52.1 Å²	52.1	18%	0.175	31%	0.313	C	S	.	.			trans	95.5	158.2	-176	0	0	0	0	0	113.6	A539 T545	A539-G543 CarbonylContact O-C 3.53Å; A539-G543 WeakPolarHBondContact O-CA 3.4Å; A539-G543 PolarHBondContact O-N 3.19Å; G543-T545 CarbonylContact C-O 3.56Å
544	L	75.7	Confident	72.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-66.6	-30.5	154.3	-69.1	172.3	0	0	0	110.3	T534 A539 G562 A563 L564 M580 D584 I588	T534-L544 HydrophobicContact CG2-CD2 3.65Å; A539-L544 HydrophobicContact CB-CB 4.49Å; A539-L544 HydrophobicContact CB-CD1 4.35Å; A539-L544 HydrophobicContact CB-CD2 3.75Å; A539-L544 HydrophobicContact CB-CG 3.52Å; L544-G562 CarbonylContact O-C 3.56Å; L544-A563 HydrophobicContact CD2-CB 4.31Å; L544-A563 PolarHBondContact O-N 3.09Å; L544-L564 HydrophobicContact CB-CD1 4.29Å; L544-L564 WeakPolarHBondContact O-CB 3.44Å; L544-L564 PolarHBondContact O-N 3.18Å; L544-L564 VanDerWaalsContact O-N 3.08Å; L544-M580 HydrophobicContact CD1-CE 3.28Å; L544-M580 HydrophobicContact CD1-SD 4.1Å; L544-D584 HydrophobicContact CD1-CB 3.83Å; L544-I588 HydrophobicContact CD1-CD1 3.74Å; L544-I588 HydrophobicContact CD1-CG1 4.14Å
545	T	77.6	Confident	71.6	Confident	14 Å²	14	54.2 Å²	54.2	9%	0.086	32%	0.322	C	S	.	.	S	Bend	trans	-93.1	174.2	172.8	56.1	0	0	0	0	111.4	G543 G562 I597	G543-T545 CarbonylContact C-O 3.56Å; T545-G562 WeakPolarHBondContact O-CA 2.9Å; T545-G562 PolarHBondContact O-N 2.77Å; T545-I597 HydrophobicContact CG2-CD1 4.41Å; T545-I597 HydrophobicContact CG2-CG2 4.02Å
546	A	79.3	Confident	71.3	Confident	2 Å²	2	56 Å²	56	2%	0.017	33%	0.327	C	S	.	.			trans	-76.1	144.8	174.3	0	0	0	0	0	112.2	L559 E560 I599 L608	A546-L559 HydrophobicContact CB-CD1 4.3Å; A546-L559 HydrophobicContact CB-CD2 3.75Å; A546-L559 HydrophobicContact CB-CG 3.97Å; A546-E560 CarbonylContact C-O 3.6Å; A546-E560 WeakPolarHBondContact CA-O 3.24Å; A546-E560 WeakPolarHBondContact CB-O 3.26Å; A546-I599 HydrophobicContact CB-CD1 3.13Å; A546-I599 WeakPolarHBondContact O-CD1 3.23Å; A546-L608 HydrophobicContact CB-CD1 3.42Å; A546-L608 VanDerWaalsContact CB-CD1 3.42Å
547	H	80.4	Confident	71.7	Confident	81 Å²	81	62.5 Å²	62.5	38%	0.375	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	151.1	175.7	-168	60.2	0	0	0	110.3	V542 E560	V542-H547 WeakPolarHBondContact O-CB 3.41Å; H547-E560 PolarHBondContact N-O 3.29Å; H547-E560 PolarHBondContact O-N 3.27Å
548	V	81.6	Confident	71.9	Confident	12 Å²	12	57.8 Å²	57.8	7%	0.073	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.7	176	-178.2	0	0	0	0	107.5	W557 T558 I599 K601 A602 I604	V548-W557 HydrophobicContact CG1-CB 3.94Å; V548-W557 HydrophobicContact CG1-CD2 4.38Å; V548-W557 HydrophobicContact CG1-CE3 3.82Å; V548-W557 HydrophobicContact CG1-CG 4.49Å; V548-T558 CarbonylContact C-O 3.52Å; V548-T558 WeakPolarHBondContact CA-O 3.47Å; V548-I599 HydrophobicContact CG2-CG2 4.2Å; V548-K601 HydrophobicContact CG2-CB 3.96Å; V548-A602 HydrophobicContact CG1-CB 3.96Å; V548-I604 HydrophobicContact CG1-CD1 3.83Å; V548-I604 HydrophobicContact CG2-CD1 4.49Å
549	L	80.2	Confident	72.6	Confident	76 Å²	76	56.9 Å²	56.9	40%	0.398	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.5	-179.8	-176.7	68.2	0	0	0	108.8	H551 T558	L549-H551 PolarHBondContact O-N 3.36Å; L549-T558 PolarHBondContact N-O 3.08Å; L549-T558 PolarHBondContact O-N 2.96Å; L549-T558 PolarHBondContact O-OG1 3.31Å
550	R	81.1	Confident	73.5	Confident	130 Å²	130	58.3 Å²	58.3	49%	0.491	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.5	169.3	-167.1	176.2	-174.5	-168	-4.4	108.8	Q555 E556 W557	R550-Q555 WeakPolarHBondContact CG-O 3.48Å; R550-Q555 PolarHBondContact NE-O 2.72Å; R550-E556 CarbonylContact C-O 3.36Å; R550-E556 WeakPolarHBondContact CA-O 3.44Å; R550-W557 HydrophobicContact CB-CD2 4.44Å; R550-W557 HydrophobicContact CB-CE3 3.92Å; R550-W557 HydrophobicContact CB-CH2 4.48Å; R550-W557 HydrophobicContact CB-CZ3 3.97Å
551	H	71.5	Confident	74.9	Confident	10 Å²	10	54.4 Å²	54.4	5%	0.046	29%	0.291	C	S	.	.			trans	-63.4	130.6	179.8	-170.2	-75.3	0	0	0	109.7	L549 V553 T554 Q555 E556 T558	L549-H551 PolarHBondContact O-N 3.36Å; H551-V553 VanDerWaalsContact C-N 3.29Å; H551-V553 PolarHBondContact ND1-N 3.33Å; H551-V553 PolarHBondContact O-N 3.34Å; H551-T554 WeakPolarHBondContact CB-OG1 3.06Å; H551-T554 PolarHBondContact ND1-N 3.08Å; H551-Q555 VanDerWaalsContact O-CA 3.25Å; H551-Q555 WeakPolarHBondContact O-CA 2.92Å; H551-Q555 PolarHBondContact O-N 3.46Å; H551-E556 PolarHBondContact N-O 3.11Å; H551-T558 HydrophobicContact CB-CG2 3.87Å
552	P	69.3	Low	76.3	Confident	98 Å²	98	50.3 Å²	50.3	64%	0.636	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-31.8	-172.1	23.8	-33.6	0	0	0	113.2	Q555	P552-Q555 PolarHBondContact O-NE2 3.29Å
553	V	67.1	Low	77.5	Confident	106 Å²	106	48.7 Å²	48.7	64%	0.642	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-60.2	-178.6	-172.8	0	0	0	0	112.4	H551 Q555	H551-V553 VanDerWaalsContact C-N 3.29Å; H551-V553 PolarHBondContact ND1-N 3.33Å; H551-V553 PolarHBondContact O-N 3.34Å; V553-Q555 VanDerWaalsContact C-N 3.29Å; V553-Q555 PolarHBondContact O-N 3.18Å
554	T	71.5	Confident	78.3	Confident	51 Å²	51	47.9 Å²	47.9	31%	0.313	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.7	-177.1	60.7	0	0	0	0	113.7	T304 H551 E556	T304-T554 HydrophobicContact CG2-CG2 4.35Å; H551-T554 WeakPolarHBondContact CB-OG1 3.06Å; H551-T554 PolarHBondContact ND1-N 3.08Å; T554-E556 PolarHBondContact O-N 2.92Å
555	Q	75.6	Confident	78.8	Confident	94 Å²	94	48.8 Å²	48.8	44%	0.439	25%	0.246	S	C	.	.			trans	60	10.6	-173.8	-63.4	-67.4	-41.7	0	0	114.2	R550 H551 P552 V553	R550-Q555 WeakPolarHBondContact CG-O 3.48Å; R550-Q555 PolarHBondContact NE-O 2.72Å; H551-Q555 VanDerWaalsContact O-CA 3.25Å; H551-Q555 WeakPolarHBondContact O-CA 2.92Å; H551-Q555 PolarHBondContact O-N 3.46Å; P552-Q555 PolarHBondContact O-NE2 3.29Å; V553-Q555 VanDerWaalsContact C-N 3.29Å; V553-Q555 PolarHBondContact O-N 3.18Å
556	E	80.1	Confident	79.1	Confident	91 Å²	91	50.2 Å²	50.2	43%	0.425	25%	0.253	S	S	.	.			trans	-82.5	149.2	176	-65.9	172.5	170.4	0	0	110.6	R550 H551 T554 T558	R550-E556 CarbonylContact C-O 3.36Å; R550-E556 WeakPolarHBondContact CA-O 3.44Å; H551-E556 PolarHBondContact N-O 3.11Å; T554-E556 PolarHBondContact O-N 2.92Å; E556-T558 PolarHBondContact O-N 3.27Å
557	W	82.8	Confident	79.4	Confident	138 Å²	138	50.1 Å²	50.1	52%	0.523	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	111.4	170.5	-64.1	104.4	0	0	0	108.8	V548 R550 A602 I604	V548-W557 HydrophobicContact CG1-CB 3.94Å; V548-W557 HydrophobicContact CG1-CD2 4.38Å; V548-W557 HydrophobicContact CG1-CE3 3.82Å; V548-W557 HydrophobicContact CG1-CG 4.49Å; R550-W557 HydrophobicContact CB-CD2 4.44Å; R550-W557 HydrophobicContact CB-CE3 3.92Å; R550-W557 HydrophobicContact CB-CH2 4.48Å; R550-W557 HydrophobicContact CB-CZ3 3.97Å; W557-A602 HydrophobicContact CD2-CB 3.9Å; W557-A602 HydrophobicContact CE3-CB 4.04Å; W557-A602 HydrophobicContact CG-CB 4.29Å; W557-A602 HydrophobicContact CZ2-CB 4.47Å; W557-A602 HydrophobicContact CZ3-CB 4.34Å; W557-I604 HydrophobicContact CB-CD1 3.84Å; W557-I604 HydrophobicContact CB-CG1 4.48Å; W557-I604 WeakPolarHBondContact O-CD1 3.48Å
558	T	80.3	Confident	79.6	Confident	9 Å²	9	47.3 Å²	47.3	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	155.6	174.4	59.8	0	0	0	0	110	V548 L549 H551 E556	V548-T558 CarbonylContact C-O 3.52Å; V548-T558 WeakPolarHBondContact CA-O 3.47Å; L549-T558 PolarHBondContact N-O 3.08Å; L549-T558 PolarHBondContact O-N 2.96Å; L549-T558 PolarHBondContact O-OG1 3.31Å; H551-T558 HydrophobicContact CB-CG2 3.87Å; E556-T558 PolarHBondContact O-N 3.27Å
559	L	78.9	Confident	79.8	Confident	34 Å²	34	52.7 Å²	52.7	18%	0.178	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.4	179.8	-176.5	139.2	0	0	0	109.2	A546 I599 L608	A546-L559 HydrophobicContact CB-CD1 4.3Å; A546-L559 HydrophobicContact CB-CD2 3.75Å; A546-L559 HydrophobicContact CB-CG 3.97Å; L559-I599 HydrophobicContact CD1-CD1 4.12Å; L559-I599 HydrophobicContact CD1-CG2 4.46Å; L559-L608 HydrophobicContact CD1-CD1 4.23Å; L559-L608 HydrophobicContact CD2-CD1 3.62Å; L559-L608 HydrophobicContact CD2-CD2 4.12Å; L559-L608 HydrophobicContact CD2-CG 4.45Å; L559-L608 HydrophobicContact CG-CD1 4.48Å
560	E	80.3	Confident	80.1	Confident	36 Å²	36	49.1 Å²	49.1	17%	0.168	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.5	175.8	-170.1	175.9	-178.5	0	0	109.6	V542 A546 H547	V542-E560 HydrophobicContact CG1-CB 4.32Å; V542-E560 HydrophobicContact CG1-CG 3.71Å; A546-E560 CarbonylContact C-O 3.6Å; A546-E560 WeakPolarHBondContact CA-O 3.24Å; A546-E560 WeakPolarHBondContact CB-O 3.26Å; H547-E560 PolarHBondContact N-O 3.29Å; H547-E560 PolarHBondContact O-N 3.27Å
561	A	78.9	Confident	80.6	Confident	10 Å²	10	43.1 Å²	43.1	8%	0.083	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-74.9	127	-175.2	0	0	0	0	0	112.6	P396 V565 L566	P396-A561 HydrophobicContact CB-CB 4.02Å; A561-V565 HydrophobicContact CB-CB 4.14Å; A561-V565 HydrophobicContact CB-CG1 4.05Å; A561-L566 HydrophobicContact CB-CD2 3.92Å; A561-L566 HydrophobicContact CB-CG 4.44Å
562	G	82.6	Confident	81.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.01	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-79.5	171.7	171.4	0	0	0	0	0	114	L544 T545 L564 V565 L566	L544-G562 CarbonylContact O-C 3.56Å; T545-G562 WeakPolarHBondContact O-CA 2.9Å; T545-G562 PolarHBondContact O-N 2.77Å; G562-L564 VanDerWaalsContact C-N 3.25Å; G562-L564 PolarHBondContact O-N 3.1Å; G562-V565 PolarHBondContact O-N 3.44Å; G562-L566 WeakPolarHBondContact O-CG 3.42Å; G562-L566 PolarHBondContact O-N 3.02Å
563	A	84.3	Confident	82.7	Confident	12 Å²	12	38 Å²	38	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-53.2	-34.3	-173.4	0	0	0	0	0	115.2	V532 T534 L544 A567	V532-A563 HydrophobicContact CG1-CB 4.12Å; T534-A563 HydrophobicContact CG2-CB 4.41Å; L544-A563 HydrophobicContact CD2-CB 4.31Å; L544-A563 PolarHBondContact O-N 3.09Å; A563-A567 WeakPolarHBondContact O-CB 3.45Å; A563-A567 PolarHBondContact O-N 3.43Å
564	L	86.4	Confident	83.8	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-70.9	-36.9	178.7	-70.2	168.7	0	0	0	112.7	L544 G562 A567 C572 I588 A591 I597 A610	L544-L564 HydrophobicContact CB-CD1 4.29Å; L544-L564 WeakPolarHBondContact O-CB 3.44Å; L544-L564 PolarHBondContact O-N 3.18Å; L544-L564 VanDerWaalsContact O-N 3.08Å; G562-L564 VanDerWaalsContact C-N 3.25Å; G562-L564 PolarHBondContact O-N 3.1Å; L564-A567 PolarHBondContact O-N 3.36Å; L564-C572 HydrophobicContact CD2-CB 4.14Å; L564-I588 HydrophobicContact CD1-CG1 4.18Å; L564-A591 HydrophobicContact CD1-CB 4.06Å; L564-I597 HydrophobicContact CB-CD1 3.85Å; L564-I597 HydrophobicContact CD1-CD1 3.95Å; L564-A610 HydrophobicContact CB-CB 4.39Å
565	V	85.9	Confident	84.8	Confident	18 Å²	18	32 Å²	32	11%	0.109	15%	0.152	C	C	.	.	H	α-helix	trans	-74.6	-38.2	178.2	-176.8	0	0	0	0	109.7	A561 G562 A567 D568 I597 L608	A561-V565 HydrophobicContact CB-CB 4.14Å; A561-V565 HydrophobicContact CB-CG1 4.05Å; G562-V565 PolarHBondContact O-N 3.44Å; V565-A567 PolarHBondContact O-N 3.19Å; V565-D568 PolarHBondContact O-N 2.86Å; V565-I597 HydrophobicContact CG2-CD1 4.12Å; V565-L608 HydrophobicContact CG1-CB 4.4Å; V565-L608 HydrophobicContact CG1-CD1 4.45Å; V565-L608 HydrophobicContact CG2-CB 4.05Å; V565-L608 HydrophobicContact CG2-CD1 3.95Å
566	L	83.2	Confident	85.4	Confident	44 Å²	44	30 Å²	30	23%	0.23	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-25.2	170.9	-61.9	-177.4	0	0	0	112.5	R530 V532 A561 G562	R530-L566 VanDerWaalsContact CZ-O 3.22Å; R530-L566 PolarHBondContact NE-O 2.97Å; R530-L566 PolarHBondContact NH2-O 2.94Å; V532-L566 HydrophobicContact CG2-CB 4.01Å; A561-L566 HydrophobicContact CB-CD2 3.92Å; A561-L566 HydrophobicContact CB-CG 4.44Å; G562-L566 WeakPolarHBondContact O-CG 3.42Å; G562-L566 PolarHBondContact O-N 3.02Å
567	A	85.6	Confident	85.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	18.2	-179.9	0	0	0	0	0	114.2	V532 A563 L564 V565 K569 G570 C572 C612	V532-A567 HydrophobicContact CB-CB 4.27Å; V532-A567 HydrophobicContact CG2-CB 4.03Å; A563-A567 WeakPolarHBondContact O-CB 3.45Å; A563-A567 PolarHBondContact O-N 3.43Å; L564-A567 PolarHBondContact O-N 3.36Å; V565-A567 PolarHBondContact O-N 3.19Å; A567-K569 PolarHBondContact O-N 3.21Å; A567-G570 VanDerWaalsContact O-CA 3.28Å; A567-G570 WeakPolarHBondContact O-CA 3.47Å; A567-G570 PolarHBondContact O-N 3.28Å; A567-C572 HydrophobicContact CB-CB 4.02Å; A567-C612 HydrophobicContact CB-CB 4.05Å; A567-C612 WeakPolarHBondContact O-CB 3.38Å
568	D	85.5	Confident	86	Confident	23 Å²	23	21 Å²	21	12%	0.123	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.9	177.9	-172.9	43.1	0	0	0	111.7	R530 V565 G570 R611	R530-D568 WeakPolarHBondContact CD-O 3.35Å; R530-D568 PolarHBondContact NE-O 3.34Å; V565-D568 PolarHBondContact O-N 2.86Å; D568-G570 PolarHBondContact O-N 2.97Å; D568-R611 WeakPolarHBondContact OD1-CA 3.42Å; D568-R611 WeakPolarHBondContact OD1-CB 3.36Å; D568-R611 WeakPolarHBondContact OD1-CG 3.32Å; D568-R611 IonicContact OD1-CZ 2.64Å; D568-R611 PolarHBondContact OD1-N 2.91Å; D568-R611 IonicContact OD1-NE 3.23Å; D568-R611 PolarHBondContact OD1-NE 3.49Å; D568-R611 IonicContact OD1-NH2 3.53Å; D568-R611 IonicContact OD2-CZ 2.84Å; D568-R611 IonicContact OD2-NE 3Å; D568-R611 PolarHBondContact OD2-NE 2.81Å; D568-R611 IonicContact OD2-NH2 2.84Å; D568-R611 PolarHBondContact OD2-NH2 3.39Å
569	K	84.2	Confident	86.2	Confident	125 Å²	125	24.3 Å²	24.3	54%	0.543	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	20	-167.8	-54.2	179.6	-175.3	174.8	0	114	A567 R611 R724	A567-K569 PolarHBondContact O-N 3.21Å; K569-R611 WeakPolarHBondContact CA-O 3.45Å; K569-R611 VanDerWaalsContact CE-NH2 3.26Å; K569-R611 PolarHBondContact N-O 3.45Å; K569-R724 VanDerWaalsContact C-NH2 3.34Å; K569-R724 PolarHBondContact O-NH1 3.11Å; K569-R724 PolarHBondContact O-NH2 2.87Å
570	G	87.5	Confident	86.4	Confident	1 Å²	1	23 Å²	23	1%	0.01	12%	0.115	C	C	.	.	S	Bend	trans	-117.3	-154.5	-179.8	0	0	0	0	0	112.5	R530 A567 D568 S613	R530-G570 CarbonylContact O-C 3.56Å; R530-G570 WeakPolarHBondContact O-CA 3.15Å; A567-G570 VanDerWaalsContact O-CA 3.28Å; A567-G570 WeakPolarHBondContact O-CA 3.47Å; A567-G570 PolarHBondContact O-N 3.28Å; D568-G570 PolarHBondContact O-N 2.97Å; G570-S613 PolarHBondContact O-N 2.7Å
571	V	91.3	Very high	86.5	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126	173.8	-176.8	0	0	0	0	108.5	L487 V524 A528 R530 G531 V532 L573 S613 I615	L487-V571 HydrophobicContact CD2-CG2 4.42Å; V524-V571 HydrophobicContact CG1-CG1 4.23Å; A528-V571 HydrophobicContact CB-CB 4.41Å; A528-V571 HydrophobicContact CB-CG2 4.17Å; R530-V571 PolarHBondContact O-N 2.7Å; G531-V571 WeakPolarHBondContact CA-O 3.47Å; V532-V571 PolarHBondContact N-O 3.06Å; V532-V571 VanDerWaalsContact N-O 3.08Å; V571-L573 HydrophobicContact CG1-CD2 3.93Å; V571-L573 HydrophobicContact CG1-CG 4.17Å; V571-S613 CarbonylContact C-O 3.5Å; V571-S613 WeakPolarHBondContact CA-O 3.47Å; V571-I615 HydrophobicContact CG1-CB 4.42Å; V571-I615 HydrophobicContact CG1-CD1 3.52Å; V571-I615 HydrophobicContact CG1-CG1 3.85Å
572	C	91.4	Very high	86.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	121.3	171.7	-173.2	0	0	0	0	108.9	L564 A567 C612 S613 I615	L564-C572 HydrophobicContact CD2-CB 4.14Å; A567-C572 HydrophobicContact CB-CB 4.02Å; C572-C612 HydrophobicContact CB-CB 4.44Å; C572-S613 PolarHBondContact N-O 3.48Å; C572-I615 PolarHBondContact O-N 2.79Å
573	L	92.8	Very high	86.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.3	-176.2	-60	160.6	0	0	0	108.6	L521 V524 A525 V532 L533 T534 V571 I615	L521-L573 HydrophobicContact CB-CD2 4.49Å; L521-L573 HydrophobicContact CD2-CB 4.3Å; L521-L573 HydrophobicContact CD2-CD2 3.66Å; L521-L573 WeakPolarHBondContact O-CD1 3.47Å; V524-L573 HydrophobicContact CB-CD2 4Å; V524-L573 HydrophobicContact CG1-CD1 4.38Å; V524-L573 HydrophobicContact CG1-CD2 3.67Å; A525-L573 VanDerWaalsContact CA-CD1 3.44Å; A525-L573 HydrophobicContact CB-CD1 3.41Å; A525-L573 VanDerWaalsContact CB-CD1 3.41Å; V532-L573 WeakPolarHBondContact O-CB 3.32Å; V532-L573 PolarHBondContact O-N 2.84Å; L533-L573 HydrophobicContact CD1-CB 3.71Å; T534-L573 PolarHBondContact N-O 3.17Å; V571-L573 HydrophobicContact CG1-CD2 3.93Å; V571-L573 HydrophobicContact CG1-CG 4.17Å; L573-I615 WeakPolarHBondContact CA-O 2.9Å; L573-I615 HydrophobicContact CD2-CB 3.85Å; L573-I615 HydrophobicContact CD2-CD1 4.28Å; L573-I615 HydrophobicContact CD2-CG2 4.16Å
574	I	91.3	Very high	86.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.1	-178.4	-49.8	174.8	0	0	0	109	T534 F577 M580 I588 V614 I615 A616 A617	T534-I574 HydrophobicContact CG2-CB 4.34Å; T534-I574 HydrophobicContact CG2-CG1 3.82Å; T534-I574 HydrophobicContact CG2-CG2 4.34Å; T534-I574 WeakPolarHBondContact O-CA 3.49Å; I574-F577 HydrophobicContact CB-CD2 4.23Å; I574-F577 HydrophobicContact CD1-CD2 4.13Å; I574-F577 HydrophobicContact CD1-CE2 4.1Å; I574-F577 HydrophobicContact CG2-CB 4.48Å; I574-F577 HydrophobicContact CG2-CD2 3.87Å; I574-M580 HydrophobicContact CG2-SD 4.42Å; I574-I588 HydrophobicContact CD1-CD1 3.69Å; I574-V614 HydrophobicContact CD1-CG1 4.02Å; I574-I615 PolarHBondContact N-O 2.97Å; I574-A616 HydrophobicContact CB-CB 4.45Å; I574-A616 CarbonylContact O-C 3.49Å; I574-A616 WeakPolarHBondContact O-CA 3.28Å; I574-A617 PolarHBondContact O-N 3.34Å
575	D	91	Very high	86.3	Confident	31 Å²	31	37.5 Å²	37.5	17%	0.166	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	152.4	169.1	-154.4	-4.2	0	0	0	110.6	S518 L521 T534 T535 G536 F577	S518-D575 WeakPolarHBondContact CB-OD2 3.35Å; S518-D575 PolarHBondContact OG-OD2 2.85Å; L521-D575 HydrophobicContact CD1-CB 3.94Å; T534-D575 PolarHBondContact O-N 3.12Å; T535-D575 CarbonylContact C-O 3.57Å; T535-D575 WeakPolarHBondContact CA-O 3.44Å; G536-D575 PolarHBondContact N-O 2.96Å; D575-F577 PolarHBondContact O-N 3.08Å
576	E	89	Confident	86.2	Confident	51 Å²	51	40.9 Å²	40.9	24%	0.238	20%	0.203	C	C	.	.	S	Bend	trans	52.2	48.7	-178	-52.4	-165.1	141.2	0	0	113.8	D578 K579 A617	E576-D578 PolarHBondContact O-N 2.79Å; E576-D578 VanDerWaalsContact O-N 3.16Å; E576-K579 HydrophobicContact CB-CD 4.32Å; E576-K579 HydrophobicContact CB-CG 4.4Å; E576-K579 PolarHBondContact O-N 3.39Å; E576-K579 IonicContact OE1-NZ 2.82Å; E576-K579 PolarHBondContact OE1-NZ 3.45Å; E576-K579 WeakPolarHBondContact OE2-CD 3.49Å; E576-K579 WeakPolarHBondContact OE2-CE 3.28Å; E576-K579 IonicContact OE2-NZ 3.82Å; E576-K579 PolarHBondContact OE2-NZ 3.43Å; E576-A617 PolarHBondContact N-O 2.81Å
577	F	88.4	Confident	86.1	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25.5	-177.2	-170.5	-106.9	0	0	0	113.7	L508 I574 D575 K579 M580 I588 A616 A617 A618 L637 I641 F645	L508-F577 HydrophobicContact CD1-CD1 4.41Å; I574-F577 HydrophobicContact CB-CD2 4.23Å; I574-F577 HydrophobicContact CD1-CD2 4.13Å; I574-F577 HydrophobicContact CD1-CE2 4.1Å; I574-F577 HydrophobicContact CG2-CB 4.48Å; I574-F577 HydrophobicContact CG2-CD2 3.87Å; D575-F577 PolarHBondContact O-N 3.08Å; F577-K579 VanDerWaalsContact C-N 3.3Å; F577-K579 PolarHBondContact O-N 3.21Å; F577-M580 HydrophobicContact CD2-SD 3.44Å; F577-M580 WeakPolarHBondContact CD2-SD 3.18Å; F577-M580 HydrophobicContact CE2-SD 3.44Å; F577-M580 WeakPolarHBondContact CE2-SD 3.37Å; F577-M580 HydrophobicContact CG-SD 4.32Å; F577-M580 HydrophobicContact CZ-SD 4.33Å; F577-M580 WeakPolarHBondContact O-CG 3.38Å; F577-I588 HydrophobicContact CE2-CD1 3.86Å; F577-A616 HydrophobicContact CB-CB 4.08Å; F577-A616 HydrophobicContact CD1-CB 4.45Å; F577-A616 HydrophobicContact CD2-CB 3.93Å; F577-A616 HydrophobicContact CG-CB 3.91Å; F577-A617 WeakPolarHBondContact CB-O 3.46Å; F577-A617 PolarHBondContact N-O 3.33Å; F577-A618 HydrophobicContact CB-CB 4.41Å; F577-L637 HydrophobicContact CD1-CD1 3.74Å; F577-L637 HydrophobicContact CD1-CD2 3.71Å; F577-L637 HydrophobicContact CD1-CG 4.35Å; F577-L637 HydrophobicContact CE1-CD1 3.74Å; F577-L637 HydrophobicContact CE1-CD2 3.47Å; F577-L637 VanDerWaalsContact CE1-CD2 3.47Å; F577-L637 HydrophobicContact CE1-CG 4.26Å; F577-I641 HydrophobicContact CE1-CG2 3.97Å; F577-I641 HydrophobicContact CZ-CG2 4.06Å; F577-F645 HydrophobicContact CE1-CE2 4.2Å; F577-F645 HydrophobicContact CE1-CZ 4.35Å; F577-F645 HydrophobicContact CZ-CE2 4.31Å; F577-F645 HydrophobicContact CZ-CZ 4.25Å
578	D	87.1	Confident	86.1	Confident	39 Å²	39	39.5 Å²	39.5	21%	0.209	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-64.3	-31.1	175.6	52.5	-64.1	0	0	0	113	E576 M580 R585 N619	E576-D578 PolarHBondContact O-N 2.79Å; E576-D578 VanDerWaalsContact O-N 3.16Å; D578-M580 VanDerWaalsContact C-N 3.29Å; D578-M580 PolarHBondContact O-N 3.48Å; D578-R585 PolarHBondContact O-NH2 3.42Å; D578-R585 VanDerWaalsContact O-NH2 3.12Å; D578-N619 PolarHBondContact OD1-N 3.25Å
579	K	84.2	Confident	86.1	Confident	79 Å²	79	40.6 Å²	40.6	34%	0.343	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-88.1	13.9	-175	-56.9	-171.6	-165.7	161.5	0	114.7	Q537 E576 F577	Q537-K579 HydrophobicContact CG-CB 3.63Å; Q537-K579 HydrophobicContact CG-CD 4.14Å; E576-K579 HydrophobicContact CB-CD 4.32Å; E576-K579 HydrophobicContact CB-CG 4.4Å; E576-K579 PolarHBondContact O-N 3.39Å; E576-K579 IonicContact OE1-NZ 2.82Å; E576-K579 PolarHBondContact OE1-NZ 3.45Å; E576-K579 WeakPolarHBondContact OE2-CD 3.49Å; E576-K579 WeakPolarHBondContact OE2-CE 3.28Å; E576-K579 IonicContact OE2-NZ 3.82Å; E576-K579 PolarHBondContact OE2-NZ 3.43Å; F577-K579 VanDerWaalsContact C-N 3.3Å; F577-K579 PolarHBondContact O-N 3.21Å
580	M	83.3	Confident	86.3	Confident	7 Å²	7	37 Å²	37	3%	0.034	19%	0.187	C	C	.	.			trans	-72.8	144.3	-179.9	-76.7	-170.3	52.7	0	0	113.1	L544 I574 F577 D578 D584 R585 I588	L544-M580 HydrophobicContact CD1-CE 3.28Å; L544-M580 HydrophobicContact CD1-SD 4.1Å; I574-M580 HydrophobicContact CG2-SD 4.42Å; F577-M580 HydrophobicContact CD2-SD 3.44Å; F577-M580 WeakPolarHBondContact CD2-SD 3.18Å; F577-M580 HydrophobicContact CE2-SD 3.44Å; F577-M580 WeakPolarHBondContact CE2-SD 3.37Å; F577-M580 HydrophobicContact CG-SD 4.32Å; F577-M580 HydrophobicContact CZ-SD 4.33Å; F577-M580 WeakPolarHBondContact O-CG 3.38Å; D578-M580 VanDerWaalsContact C-N 3.29Å; D578-M580 PolarHBondContact O-N 3.48Å; M580-D584 HydrophobicContact CE-CB 3.48Å; M580-D584 VanDerWaalsContact CE-CB 3.48Å; M580-R585 HydrophobicContact CB-CG 4.12Å; M580-R585 HydrophobicContact CE-CG 4.37Å; M580-R585 PolarHBondContact O-NE 2.97Å; M580-I588 HydrophobicContact CE-CD1 3.42Å; M580-I588 VanDerWaalsContact CE-CD1 3.42Å; M580-I588 HydrophobicContact CE-CG1 4.18Å; M580-I588 HydrophobicContact SD-CD1 3.77Å
581	N	83.7	Confident	86.2	Confident	87 Å²	87	37.2 Å²	37.2	47%	0.465	19%	0.189	S	C	.	.			trans	-69.6	151.4	171.9	-62.2	-32.2	0	0	0	111.5	H583 D584 R585	N581-H583 VanDerWaalsContact C-N 3.31Å; N581-H583 PolarHBondContact O-N 2.74Å; N581-D584 PolarHBondContact O-N 3.32Å; N581-R585 WeakPolarHBondContact O-CG 3.4Å; N581-R585 PolarHBondContact O-N 3.2Å
582	D	82.9	Confident	86	Confident	115 Å²	115	37.4 Å²	37.4	62%	0.615	19%	0.189	S	C	*	.	H	α-helix	trans	-64.3	-30.9	-178	-68	-32.6	0	0	0	113.7	R585 T586	D582-R585 WeakPolarHBondContact O-CB 3.49Å; D582-R585 PolarHBondContact O-N 3.33Å; D582-R585 IonicContact OD1-CZ 3.29Å; D582-R585 IonicContact OD1-NE 2.74Å; D582-R585 IonicContact OD1-NH1 3.27Å; D582-R585 PolarHBondContact OD1-NH1 2.83Å; D582-T586 PolarHBondContact O-N 3.5Å; D582-T586 VanDerWaalsContact O-N 3.08Å
583	H	80.9	Confident	85.6	Confident	109 Å²	109	41.1 Å²	41.1	51%	0.505	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-45.5	174	-176.1	55.2	0	0	0	111.9	N581 R585 T586 S587	N581-H583 VanDerWaalsContact C-N 3.31Å; N581-H583 PolarHBondContact O-N 2.74Å; H583-R585 VanDerWaalsContact C-N 3.3Å; H583-R585 PolarHBondContact O-N 3.3Å; H583-T586 PolarHBondContact O-N 3.49Å; H583-T586 PolarHBondContact O-OG1 2.95Å; H583-S587 PolarHBondContact O-N 3.05Å; H583-S587 PolarHBondContact O-OG 3.31Å; H583-S587 VanDerWaalsContact O-OG 3.09Å
584	D	82.3	Confident	85.2	Confident	11 Å²	11	46.6 Å²	46.6	6%	0.059	23%	0.232	C	C	.	.	H	α-helix	trans	-67.7	-34.8	178.8	-63.2	-43.8	0	0	0	111.1	L544 M580 N581 S587 I588	L544-D584 HydrophobicContact CD1-CB 3.83Å; M580-D584 HydrophobicContact CE-CB 3.48Å; M580-D584 VanDerWaalsContact CE-CB 3.48Å; N581-D584 PolarHBondContact O-N 3.32Å; D584-S587 PolarHBondContact O-N 3.39Å; D584-I588 WeakPolarHBondContact O-CG1 3.48Å; D584-I588 PolarHBondContact O-N 3.44Å
585	R	81.6	Confident	85.1	Confident	42 Å²	42	47 Å²	47	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-58.7	-50.6	173.2	-69.3	174	178.9	-180	-10.2	111	D578 M580 N581 D582 H583 S587 I588 H589 D636 I641	D578-R585 PolarHBondContact O-NH2 3.42Å; D578-R585 VanDerWaalsContact O-NH2 3.12Å; M580-R585 HydrophobicContact CB-CG 4.12Å; M580-R585 HydrophobicContact CE-CG 4.37Å; M580-R585 PolarHBondContact O-NE 2.97Å; N581-R585 WeakPolarHBondContact O-CG 3.4Å; N581-R585 PolarHBondContact O-N 3.2Å; D582-R585 WeakPolarHBondContact O-CB 3.49Å; D582-R585 PolarHBondContact O-N 3.33Å; D582-R585 IonicContact OD1-CZ 3.29Å; D582-R585 IonicContact OD1-NE 2.74Å; D582-R585 IonicContact OD1-NH1 3.27Å; D582-R585 PolarHBondContact OD1-NH1 2.83Å; H583-R585 VanDerWaalsContact C-N 3.3Å; H583-R585 PolarHBondContact O-N 3.3Å; R585-S587 VanDerWaalsContact C-N 3.25Å; R585-S587 PolarHBondContact O-N 2.56Å; R585-I588 PolarHBondContact O-N 2.86Å; R585-H589 PolarHBondContact O-CD2 2.87Å; R585-H589 PolarHBondContact O-N 2.68Å; R585-H589 VanDerWaalsContact O-N 3.11Å; R585-D636 PolarHBondContact NH2-O 3.49Å; R585-I641 HydrophobicContact CB-CD1 4.45Å; R585-I641 HydrophobicContact CG-CD1 4.43Å
586	T	82.3	Confident	84.9	Confident	88 Å²	88	47.6 Å²	47.6	54%	0.54	24%	0.239	S	C	.	.	H	α-helix	trans	-57.9	-38.1	177.4	59.8	0	0	0	0	112.9	D582 H583 H589 E590	D582-T586 PolarHBondContact O-N 3.5Å; D582-T586 VanDerWaalsContact O-N 3.08Å; H583-T586 PolarHBondContact O-N 3.49Å; H583-T586 PolarHBondContact O-OG1 2.95Å; T586-H589 WeakPolarHBondContact O-CB 3.45Å; T586-H589 PolarHBondContact O-N 3.43Å; T586-E590 PolarHBondContact O-N 2.88Å
587	S	82.7	Confident	84.8	Confident	13 Å²	13	45.3 Å²	45.3	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-70.3	-40.9	179.6	-58.3	0	0	0	0	113	H583 D584 R585 H589 E590 A591	H583-S587 PolarHBondContact O-N 3.05Å; H583-S587 PolarHBondContact O-OG 3.31Å; H583-S587 VanDerWaalsContact O-OG 3.09Å; D584-S587 PolarHBondContact O-N 3.39Å; R585-S587 VanDerWaalsContact C-N 3.25Å; R585-S587 PolarHBondContact O-N 2.56Å; S587-H589 VanDerWaalsContact C-N 3.26Å; S587-H589 PolarHBondContact O-N 2.93Å; S587-E590 PolarHBondContact O-N 3Å; S587-A591 PolarHBondContact O-N 2.91Å; S587-A591 VanDerWaalsContact O-N 3.13Å
588	I	85.8	Confident	84.7	Confident	3 Å²	3	49 Å²	49	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-38	174.3	-74.5	-170.3	0	0	0	110.8	L544 L564 I574 F577 M580 D584 R585 E590 A591 M592	L544-I588 HydrophobicContact CD1-CD1 3.74Å; L544-I588 HydrophobicContact CD1-CG1 4.14Å; L564-I588 HydrophobicContact CD1-CG1 4.18Å; I574-I588 HydrophobicContact CD1-CD1 3.69Å; F577-I588 HydrophobicContact CE2-CD1 3.86Å; M580-I588 HydrophobicContact CE-CD1 3.42Å; M580-I588 VanDerWaalsContact CE-CD1 3.42Å; M580-I588 HydrophobicContact CE-CG1 4.18Å; M580-I588 HydrophobicContact SD-CD1 3.77Å; D584-I588 WeakPolarHBondContact O-CG1 3.48Å; D584-I588 PolarHBondContact O-N 3.44Å; R585-I588 PolarHBondContact O-N 2.86Å; I588-E590 VanDerWaalsContact C-N 3.29Å; I588-E590 PolarHBondContact O-N 3.48Å; I588-A591 PolarHBondContact O-N 3.29Å; I588-M592 HydrophobicContact CG2-CG 3.88Å; I588-M592 HydrophobicContact CG2-SD 3.47Å; I588-M592 WeakPolarHBondContact CG2-SD 3.23Å; I588-M592 WeakPolarHBondContact O-CB 3.28Å; I588-M592 VanDerWaalsContact O-CG 3.32Å; I588-M592 WeakPolarHBondContact O-CG 3.47Å; I588-M592 PolarHBondContact O-N 2.93Å
589	H	85.5	Confident	84.5	Confident	45 Å²	45	47.6 Å²	47.6	21%	0.208	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-37.9	176.3	-74.2	-81.4	0	0	0	112.8	R585 T586 S587 I641 R644	R585-H589 PolarHBondContact O-CD2 2.87Å; R585-H589 PolarHBondContact O-N 2.68Å; R585-H589 VanDerWaalsContact O-N 3.11Å; T586-H589 WeakPolarHBondContact O-CB 3.45Å; T586-H589 PolarHBondContact O-N 3.43Å; S587-H589 VanDerWaalsContact C-N 3.26Å; S587-H589 PolarHBondContact O-N 2.93Å; H589-I641 WeakPolarHBondContact CE1-CG1 3.36Å; H589-I641 PolarHBondContact CE1-N 3.3Å; H589-I641 VanDerWaalsContact CE1-N 3.29Å; H589-I641 WeakPolarHBondContact NE2-CG1 3.39Å; H589-R644 PolarHBondContact O-NH1 3.44Å
590	E	86.6	Confident	84.4	Confident	49 Å²	49	48 Å²	48	23%	0.229	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-51	174.5	-168.7	-175.5	157.4	0	0	110.2	T586 S587 I588 M592 E593 Q594 T598	T586-E590 PolarHBondContact O-N 2.88Å; S587-E590 PolarHBondContact O-N 3Å; I588-E590 VanDerWaalsContact C-N 3.29Å; I588-E590 PolarHBondContact O-N 3.48Å; E590-M592 VanDerWaalsContact C-N 3.35Å; E590-M592 PolarHBondContact O-N 3.46Å; E590-E593 PolarHBondContact O-N 3.4Å; E590-Q594 PolarHBondContact O-N 3.09Å; E590-T598 WeakPolarHBondContact OE1-CB 3.44Å; E590-T598 PolarHBondContact OE1-N 2.76Å; E590-T598 PolarHBondContact OE1-OG1 3.29Å
591	A	87.1	Confident	84.3	Confident	6 Å²	6	52 Å²	52	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-40.8	-178.5	0	0	0	0	0	113	L564 S587 I588 E593 Q595 I597 A610	L564-A591 HydrophobicContact CD1-CB 4.06Å; S587-A591 PolarHBondContact O-N 2.91Å; S587-A591 VanDerWaalsContact O-N 3.13Å; I588-A591 PolarHBondContact O-N 3.29Å; A591-E593 PolarHBondContact O-N 3.36Å; A591-Q595 WeakPolarHBondContact O-CA 3.18Å; A591-Q595 PolarHBondContact O-N 3.41Å; A591-I597 HydrophobicContact CB-CD1 4.27Å; A591-I597 HydrophobicContact CB-CG1 4Å; A591-A610 HydrophobicContact CB-CB 4.48Å
592	M	86.7	Confident	84.2	Confident	8 Å²	8	50.3 Å²	50.3	4%	0.039	27%	0.272	C	S	.	.	H	α-helix	trans	-71.8	-27.4	-178.1	-70.3	176.8	87	0	0	114	N506 I588 E590 V614 R644 F645	N506-M592 HydrophobicContact CB-CE 4.03Å; N506-M592 WeakPolarHBondContact ND2-CE 3.36Å; I588-M592 HydrophobicContact CG2-CG 3.88Å; I588-M592 HydrophobicContact CG2-SD 3.47Å; I588-M592 WeakPolarHBondContact CG2-SD 3.23Å; I588-M592 WeakPolarHBondContact O-CB 3.28Å; I588-M592 VanDerWaalsContact O-CG 3.32Å; I588-M592 WeakPolarHBondContact O-CG 3.47Å; I588-M592 PolarHBondContact O-N 2.93Å; E590-M592 VanDerWaalsContact C-N 3.35Å; E590-M592 PolarHBondContact O-N 3.46Å; M592-V614 HydrophobicContact CG-CG2 4.32Å; M592-R644 HydrophobicContact CB-CB 4.25Å; M592-R644 HydrophobicContact CB-CG 4.47Å; M592-R644 HydrophobicContact CE-CB 3.6Å; M592-R644 HydrophobicContact SD-CB 4.08Å; M592-F645 HydrophobicContact CE-CD1 4.14Å; M592-F645 HydrophobicContact CE-CD2 4.09Å; M592-F645 HydrophobicContact CE-CE1 3.95Å; M592-F645 HydrophobicContact CE-CE2 3.92Å; M592-F645 HydrophobicContact CE-CG 4.21Å; M592-F645 HydrophobicContact CE-CZ 3.84Å
593	E	82	Confident	83.9	Confident	78 Å²	78	48.9 Å²	48.9	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-88.2	-53.2	176.8	-160.1	68.1	142.6	0	0	111.8	E590 A591 R644 R761	E590-E593 PolarHBondContact O-N 3.4Å; A591-E593 PolarHBondContact O-N 3.36Å; E593-R644 VanDerWaalsContact CB-NH1 3.32Å; E593-R644 VanDerWaalsContact CD-NE 3.28Å; E593-R644 VanDerWaalsContact CG-NH2 3.33Å; E593-R644 IonicContact OE1-CZ 3.75Å; E593-R644 IonicContact OE1-NE 3.79Å; E593-R644 IonicContact OE1-NH2 2.64Å; E593-R644 PolarHBondContact OE1-NH2 3.46Å; E593-R644 VanDerWaalsContact OE2-CD 3.24Å; E593-R644 WeakPolarHBondContact OE2-CD 3.42Å; E593-R644 IonicContact OE2-CZ 2.72Å; E593-R644 IonicContact OE2-NE 2.96Å; E593-R644 PolarHBondContact OE2-NE 2.96Å; E593-R644 IonicContact OE2-NH1 3.89Å; E593-R644 IonicContact OE2-NH2 3.46Å; E593-R644 PolarHBondContact OE2-NH2 2.96Å; E593-R761 IonicContact OE1-CZ 2.79Å; E593-R761 IonicContact OE1-NE 3.07Å; E593-R761 IonicContact OE1-NH2 3.8Å; E593-R761 PolarHBondContact OE1-NH2 3.41Å; E593-R761 IonicContact OE2-CZ 2.84Å; E593-R761 IonicContact OE2-NE 3.97Å; E593-R761 IonicContact OE2-NH2 3.51Å
594	Q	85.2	Confident	83.8	Confident	115 Å²	115	45.8 Å²	45.8	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-93.1	-17.3	-164.6	-60.5	-176.6	-10.9	0	0	110.5	E590 T596	E590-Q594 PolarHBondContact O-N 3.09Å; Q594-T596 WeakPolarHBondContact CB-OG1 3.5Å; Q594-T596 PolarHBondContact O-N 3.46Å
595	Q	88	Confident	84	Confident	9 Å²	9	51 Å²	51	4%	0.042	30%	0.303	C	S	.	.	S	Bend	trans	55.5	28	-171.3	-55.5	-178.7	-48	0	0	112.4	R502 D504 A591 A610 R611	R502-Q595 HydrophobicContact CB-CG 4.24Å; D504-Q595 PolarHBondContact OD2-NE2 3.4Å; A591-Q595 WeakPolarHBondContact O-CA 3.18Å; A591-Q595 PolarHBondContact O-N 3.41Å; Q595-A610 CarbonylContact O-C 3.49Å; Q595-A610 PolarHBondContact O-N 2.96Å; Q595-R611 HydrophobicContact CB-CB 4.47Å; Q595-R611 HydrophobicContact CB-CG 3.98Å
596	T	88.5	Confident	84	Confident	44 Å²	44	51.2 Å²	51.2	27%	0.27	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.5	178.2	54.2	0	0	0	0	108.9	Q594 L608	Q594-T596 WeakPolarHBondContact CB-OG1 3.5Å; Q594-T596 PolarHBondContact O-N 3.46Å; T596-L608 CarbonylContact C-O 3.59Å; T596-L608 VanDerWaalsContact CA-O 3.25Å; T596-L608 WeakPolarHBondContact CA-O 3.4Å
597	I	86.2	Confident	84.1	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.2	174.6	-61.4	169.6	0	0	0	106.7	T545 L564 V565 A591 I599 L608 A610	T545-I597 HydrophobicContact CG2-CD1 4.41Å; T545-I597 HydrophobicContact CG2-CG2 4.02Å; L564-I597 HydrophobicContact CB-CD1 3.85Å; L564-I597 HydrophobicContact CD1-CD1 3.95Å; V565-I597 HydrophobicContact CG2-CD1 4.12Å; A591-I597 HydrophobicContact CB-CD1 4.27Å; A591-I597 HydrophobicContact CB-CG1 4Å; I597-I599 HydrophobicContact CG2-CD1 4.42Å; I597-I599 HydrophobicContact CG2-CG1 4.13Å; I597-L608 PolarHBondContact N-O 2.86Å; I597-L608 PolarHBondContact O-N 2.96Å; I597-A610 HydrophobicContact CD1-CB 3.75Å; I597-A610 HydrophobicContact CG1-CB 3.97Å
598	T	86.1	Confident	84.1	Confident	79 Å²	79	52 Å²	52	49%	0.485	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128.7	175.4	56.1	0	0	0	0	110.5	E590	E590-T598 WeakPolarHBondContact OE1-CB 3.44Å; E590-T598 PolarHBondContact OE1-N 2.76Å; E590-T598 PolarHBondContact OE1-OG1 3.29Å
599	I	83.5	Confident	84.2	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.046	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.4	178.5	-61.2	173.1	0	0	0	107.5	A546 V548 L559 I597 K601 I604 V605 S606 L608	A546-I599 HydrophobicContact CB-CD1 3.13Å; A546-I599 WeakPolarHBondContact O-CD1 3.23Å; V548-I599 HydrophobicContact CG2-CG2 4.2Å; L559-I599 HydrophobicContact CD1-CD1 4.12Å; L559-I599 HydrophobicContact CD1-CG2 4.46Å; I597-I599 HydrophobicContact CG2-CD1 4.42Å; I597-I599 HydrophobicContact CG2-CG1 4.13Å; I599-K601 HydrophobicContact CG2-CB 4.3Å; I599-K601 HydrophobicContact CG2-CG 4.41Å; I599-I604 VanDerWaalsContact O-O 3.11Å; I599-V605 WeakPolarHBondContact O-CA 3.26Å; I599-S606 PolarHBondContact N-O 3.02Å; I599-S606 PolarHBondContact O-N 3.33Å; I599-L608 HydrophobicContact CD1-CD1 3.7Å
600	S	82.4	Confident	84.2	Confident	87 Å²	87	54.8 Å²	54.8	61%	0.608	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	76.2	175.8	-63.7	0	0	0	0	108.3	I604	S600-I604 WeakPolarHBondContact CA-O 3.38Å
601	K	80.8	Confident	84.3	Confident	92 Å²	92	55.4 Å²	55.4	40%	0.4	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.1	-178.4	-69.8	-176	-179.5	176.4	0	109.8	V548 I599 G603 I604	V548-K601 HydrophobicContact CG2-CB 3.96Å; I599-K601 HydrophobicContact CG2-CB 4.3Å; I599-K601 HydrophobicContact CG2-CG 4.41Å; K601-G603 VanDerWaalsContact C-N 3.28Å; K601-G603 PolarHBondContact O-N 3.42Å; K601-I604 PolarHBondContact N-O 3.29Å; K601-I604 VanDerWaalsContact N-O 3.17Å; K601-I604 PolarHBondContact O-N 3.16Å
602	A	81	Confident	84.4	Confident	52 Å²	52	55.6 Å²	55.6	43%	0.43	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	37.8	175.8	0	0	0	0	0	115.4	V548 W557 I604	V548-A602 HydrophobicContact CG1-CB 3.96Å; W557-A602 HydrophobicContact CD2-CB 3.9Å; W557-A602 HydrophobicContact CE3-CB 4.04Å; W557-A602 HydrophobicContact CG-CB 4.29Å; W557-A602 HydrophobicContact CZ2-CB 4.47Å; W557-A602 HydrophobicContact CZ3-CB 4.34Å; A602-I604 PolarHBondContact O-N 2.89Å
603	G	77.5	Confident	84.6	Confident	84 Å²	84	55.3 Å²	55.3	87%	0.866	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-6.5	-179.8	0	0	0	0	0	114.8	K601	K601-G603 VanDerWaalsContact C-N 3.28Å; K601-G603 PolarHBondContact O-N 3.42Å
604	I	78.4	Confident	85.1	Confident	44 Å²	44	51.8 Å²	51.8	23%	0.226	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.7	173.8	-53.9	177.5	0	0	0	108.2	V548 W557 I599 S600 K601 A602	V548-I604 HydrophobicContact CG1-CD1 3.83Å; V548-I604 HydrophobicContact CG2-CD1 4.49Å; W557-I604 HydrophobicContact CB-CD1 3.84Å; W557-I604 HydrophobicContact CB-CG1 4.48Å; W557-I604 WeakPolarHBondContact O-CD1 3.48Å; I599-I604 VanDerWaalsContact O-O 3.11Å; S600-I604 WeakPolarHBondContact CA-O 3.38Å; K601-I604 PolarHBondContact N-O 3.29Å; K601-I604 VanDerWaalsContact N-O 3.17Å; K601-I604 PolarHBondContact O-N 3.16Å; A602-I604 PolarHBondContact O-N 2.89Å
605	V	85.4	Confident	85.6	Confident	122 Å²	122	46.3 Å²	46.3	74%	0.739	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	100.7	167.8	-178.5	0	0	0	0	107.3	I599	I599-V605 WeakPolarHBondContact O-CA 3.26Å
606	S	81.4	Confident	85.8	Confident	45 Å²	45	45.9 Å²	45.9	32%	0.315	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.6	-179.5	-173.3	0	0	0	0	111.1	I599	I599-S606 PolarHBondContact N-O 3.02Å; I599-S606 PolarHBondContact O-N 3.33Å
607	S	85	Confident	86	Confident	86 Å²	86	43.8 Å²	43.8	60%	0.601	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.2	173.2	62.7	0	0	0	0	109.5
608	L	84	Confident	86.3	Confident	31 Å²	31	43.7 Å²	43.7	16%	0.162	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	143.9	177.8	-60.2	169.6	0	0	0	110.1	A546 L559 V565 T596 I597 I599	A546-L608 HydrophobicContact CB-CD1 3.42Å; A546-L608 VanDerWaalsContact CB-CD1 3.42Å; L559-L608 HydrophobicContact CD1-CD1 4.23Å; L559-L608 HydrophobicContact CD2-CD1 3.62Å; L559-L608 HydrophobicContact CD2-CD2 4.12Å; L559-L608 HydrophobicContact CD2-CG 4.45Å; L559-L608 HydrophobicContact CG-CD1 4.48Å; V565-L608 HydrophobicContact CG1-CB 4.4Å; V565-L608 HydrophobicContact CG1-CD1 4.45Å; V565-L608 HydrophobicContact CG2-CB 4.05Å; V565-L608 HydrophobicContact CG2-CD1 3.95Å; T596-L608 CarbonylContact C-O 3.59Å; T596-L608 VanDerWaalsContact CA-O 3.25Å; T596-L608 WeakPolarHBondContact CA-O 3.4Å; I597-L608 PolarHBondContact N-O 2.86Å; I597-L608 PolarHBondContact O-N 2.96Å; I599-L608 HydrophobicContact CD1-CD1 3.7Å
609	Q	86.5	Confident	86.5	Confident	107 Å²	107	41.8 Å²	41.8	50%	0.5	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.4	174.9	-64	-179.1	-0.7	0	0	109.8	R611	Q609-R611 VanDerWaalsContact OE1-CZ 3.26Å; Q609-R611 VanDerWaalsContact OE1-NH2 3.07Å
610	A	86.6	Confident	86.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.008	26%	0.26	C	S	.	.			trans	-136	57.6	179.8	0	0	0	0	0	110.2	L564 A591 Q595 I597 C612	L564-A610 HydrophobicContact CB-CB 4.39Å; A591-A610 HydrophobicContact CB-CB 4.48Å; Q595-A610 CarbonylContact O-C 3.49Å; Q595-A610 PolarHBondContact O-N 2.96Å; I597-A610 HydrophobicContact CD1-CB 3.75Å; I597-A610 HydrophobicContact CG1-CB 3.97Å; A610-C612 PolarHBondContact O-N 3.12Å
611	R	88.3	Confident	87.2	Confident	61 Å²	61	43 Å²	43	23%	0.23	26%	0.259	C	S	.	.			trans	-81.3	70.7	-178.1	-53	167.3	-70.3	-160	-13.8	110	D568 K569 Q595 Q609	D568-R611 WeakPolarHBondContact OD1-CA 3.42Å; D568-R611 WeakPolarHBondContact OD1-CB 3.36Å; D568-R611 WeakPolarHBondContact OD1-CG 3.32Å; D568-R611 IonicContact OD1-CZ 2.64Å; D568-R611 PolarHBondContact OD1-N 2.91Å; D568-R611 IonicContact OD1-NE 3.23Å; D568-R611 PolarHBondContact OD1-NE 3.49Å; D568-R611 IonicContact OD1-NH2 3.53Å; D568-R611 IonicContact OD2-CZ 2.84Å; D568-R611 IonicContact OD2-NE 3Å; D568-R611 PolarHBondContact OD2-NE 2.81Å; D568-R611 IonicContact OD2-NH2 2.84Å; D568-R611 PolarHBondContact OD2-NH2 3.39Å; K569-R611 WeakPolarHBondContact CA-O 3.45Å; K569-R611 VanDerWaalsContact CE-NH2 3.26Å; K569-R611 PolarHBondContact N-O 3.45Å; Q595-R611 HydrophobicContact CB-CB 4.47Å; Q595-R611 HydrophobicContact CB-CG 3.98Å; Q609-R611 VanDerWaalsContact OE1-CZ 3.26Å; Q609-R611 VanDerWaalsContact OE1-NH2 3.07Å
612	C	89.1	Confident	87.3	Confident	11 Å²	11	42.4 Å²	42.4	7%	0.074	27%	0.267	C	S	.	.			trans	-118.7	149.6	-175.1	64.6	0	0	0	0	111.5	A567 C572 A610	A567-C612 HydrophobicContact CB-CB 4.05Å; A567-C612 WeakPolarHBondContact O-CB 3.38Å; C572-C612 HydrophobicContact CB-CB 4.44Å; A610-C612 PolarHBondContact O-N 3.12Å
613	S	91.6	Very high	87.5	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.1	168.5	-146.6	0	0	0	0	108.8	I505 G570 V571 C572	I505-S613 PolarHBondContact N-OG 3.42Å; I505-S613 PolarHBondContact O-OG 3.49Å; G570-S613 PolarHBondContact O-N 2.7Å; V571-S613 CarbonylContact C-O 3.5Å; V571-S613 WeakPolarHBondContact CA-O 3.47Å; C572-S613 PolarHBondContact N-O 3.48Å
614	V	92.8	Very high	87.9	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.4	179.8	-178	0	0	0	0	109.7	N506 V507 I574 M592 F645	N506-V614 CarbonylContact C-O 3.59Å; N506-V614 VanDerWaalsContact CA-O 3.28Å; N506-V614 WeakPolarHBondContact CA-O 3.08Å; N506-V614 PolarHBondContact OD1-N 3.36Å; V507-V614 PolarHBondContact N-O 3.28Å; I574-V614 HydrophobicContact CD1-CG1 4.02Å; M592-V614 HydrophobicContact CG-CG2 4.32Å; V614-F645 HydrophobicContact CG1-CE1 4.32Å; V614-F645 HydrophobicContact CG1-CZ 4.46Å
615	I	94.2	Very high	88.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.4	172.4	-57.5	178.4	0	0	0	107.7	L483 A486 V507 L521 V524 V571 C572 L573 I574	L483-I615 HydrophobicContact CD2-CD1 3.96Å; L483-I615 HydrophobicContact CD2-CG2 3.86Å; A486-I615 HydrophobicContact CB-CD1 4.03Å; A486-I615 HydrophobicContact CB-CG1 4.5Å; V507-I615 HydrophobicContact CB-CG1 4.39Å; V507-I615 HydrophobicContact CB-CG2 4.45Å; V507-I615 WeakPolarHBondContact O-CA 3.39Å; L521-I615 HydrophobicContact CD2-CB 4.45Å; L521-I615 HydrophobicContact CD2-CG2 3.67Å; V524-I615 HydrophobicContact CG1-CD1 4.03Å; V571-I615 HydrophobicContact CG1-CB 4.42Å; V571-I615 HydrophobicContact CG1-CD1 3.52Å; V571-I615 HydrophobicContact CG1-CG1 3.85Å; C572-I615 PolarHBondContact O-N 2.79Å; L573-I615 WeakPolarHBondContact CA-O 2.9Å; L573-I615 HydrophobicContact CD2-CB 3.85Å; L573-I615 HydrophobicContact CD2-CD1 4.28Å; L573-I615 HydrophobicContact CD2-CG2 4.16Å; I574-I615 PolarHBondContact N-O 2.97Å
616	A	93	Very high	88.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.7	-174.6	0	0	0	0	0	111.3	V507 L508 I509 I574 F577 F645	V507-A616 PolarHBondContact O-N 3.31Å; L508-A616 HydrophobicContact CD1-CB 3.76Å; I509-A616 PolarHBondContact N-O 3.46Å; I574-A616 HydrophobicContact CB-CB 4.45Å; I574-A616 CarbonylContact O-C 3.49Å; I574-A616 WeakPolarHBondContact O-CA 3.28Å; F577-A616 HydrophobicContact CB-CB 4.08Å; F577-A616 HydrophobicContact CD1-CB 4.45Å; F577-A616 HydrophobicContact CD2-CB 3.93Å; F577-A616 HydrophobicContact CG-CB 3.91Å; A616-F645 HydrophobicContact CB-CE1 4.3Å; A616-F645 HydrophobicContact CB-CZ 4.14Å
617	A	93.3	Very high	88.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.8	166.4	0	0	0	0	0	109.8	I509 K517 L521 I574 E576 F577	I509-A617 CarbonylContact O-C 3.46Å; I509-A617 WeakPolarHBondContact O-CA 3.37Å; K517-A617 HydrophobicContact CB-CB 4.24Å; K517-A617 HydrophobicContact CD-CB 4.41Å; L521-A617 HydrophobicContact CD1-CB 3.81Å; L521-A617 HydrophobicContact CG-CB 4.49Å; I574-A617 PolarHBondContact O-N 3.34Å; E576-A617 PolarHBondContact N-O 2.81Å; F577-A617 WeakPolarHBondContact CB-O 3.46Å; F577-A617 PolarHBondContact N-O 3.33Å
618	A	91.7	Very high	88.5	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.8	178.2	0	0	0	0	0	110.8	L508 I509 C510 K517 F577 V635	L508-A618 HydrophobicContact CD1-CB 4.13Å; I509-A618 PolarHBondContact O-N 3.47Å; C510-A618 WeakPolarHBondContact CA-O 3.17Å; K517-A618 PolarHBondContact NZ-O 3.09Å; F577-A618 HydrophobicContact CB-CB 4.41Å; A618-V635 HydrophobicContact CB-CG1 4.15Å
619	N	90.5	Very high	88.5	Confident	39 Å²	39	45 Å²	45	21%	0.209	23%	0.232	C	C	.	.			trans	-103.4	145.8	173.8	-63.7	-40	0	0	0	110.8	K517 D578	K517-N619 PolarHBondContact NZ-OD1 3.08Å; D578-N619 PolarHBondContact OD1-N 3.25Å
620	P	91.2	Very high	88.3	Confident	7 Å²	7	40.9 Å²	40.9	5%	0.045	21%	0.214	C	C	.	.			trans	-71.8	144.4	176.1	29.6	-35.8	0	0	0	110.3	G511 S622 G623	G511-P620 WeakPolarHBondContact O-CD 3.41Å; P620-S622 VanDerWaalsContact C-N 3.29Å; P620-S622 PolarHBondContact O-N 3.23Å; P620-G623 PolarHBondContact O-N 3.45Å; P620-G623 VanDerWaalsContact O-N 3.09Å
621	I	88.4	Confident	88.1	Confident	114 Å²	114	41 Å²	41	59%	0.585	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-39.8	-176.3	-59.7	162.8	0	0	0	111.9	G623 N634 D636	I621-G623 PolarHBondContact O-N 2.96Å; I621-N634 WeakPolarHBondContact CG1-O 3.45Å; I621-N634 PolarHBondContact N-O 3.44Å; I621-N634 VanDerWaalsContact N-O 3.16Å; I621-D636 HydrophobicContact CD1-CB 3.95Å; I621-D636 HydrophobicContact CG1-CB 4.34Å
622	S	84.2	Confident	87.8	Confident	81 Å²	81	40.2 Å²	40.2	57%	0.566	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	6.9	-178.3	40.5	0	0	0	0	114.5	P620 R624	P620-S622 VanDerWaalsContact C-N 3.29Å; P620-S622 PolarHBondContact O-N 3.23Å; S622-R624 PolarHBondContact O-N 3.43Å; S622-R624 PolarHBondContact OG-O 3.44Å
623	G	84.4	Confident	87.6	Confident	36 Å²	36	44.5 Å²	44.5	37%	0.371	24%	0.237	S	C	.	.	S	Bend	trans	70.3	-19.4	-173.2	0	0	0	0	0	114.4	P513 P620 I621	P513-G623 WeakPolarHBondContact CD-O 3.28Å; P620-G623 PolarHBondContact O-N 3.45Å; P620-G623 VanDerWaalsContact O-N 3.09Å; I621-G623 PolarHBondContact O-N 2.96Å
624	R	86.9	Confident	87.3	Confident	173 Å²	173	44.5 Å²	44.5	65%	0.653	24%	0.237	S	C	*	.	S	Bend	trans	-126.6	145.5	166.4	-70.9	-175.2	-178.8	-116.5	0.5	110.5	D512 S622 D626	D512-R624 VanDerWaalsContact OD1-CA 3.24Å; D512-R624 WeakPolarHBondContact OD1-CA 3.39Å; S622-R624 PolarHBondContact O-N 3.43Å; S622-R624 PolarHBondContact OG-O 3.44Å; R624-D626 PolarHBondContact O-N 3.15Å
625	Y	86.6	Confident	86.8	Confident	21 Å²	21	44.4 Å²	44.4	8%	0.082	24%	0.236	C	C	.	.			trans	-76.8	115	177.7	-171.3	-85.8	0	0	0	111.1	D512 F631 N634 V650 R652	D512-Y625 PolarHBondContact OD1-N 3.32Å; Y625-F631 HydrophobicContact CE2-CD2 4.04Å; Y625-F631 HydrophobicContact CE2-CE2 4.41Å; Y625-N634 HydrophobicContact CD2-CB 4.32Å; Y625-N634 HydrophobicContact CE2-CB 3.98Å; Y625-N634 WeakPolarHBondContact CE2-ND2 3.37Å; Y625-N634 VanDerWaalsContact CZ-ND2 3.35Å; Y625-V650 HydrophobicContact CD1-CG1 3.82Å; Y625-V650 HydrophobicContact CD2-CG1 3.89Å; Y625-V650 HydrophobicContact CE1-CG1 3.62Å; Y625-V650 HydrophobicContact CE2-CG1 3.67Å; Y625-V650 HydrophobicContact CE2-CG2 4.35Å; Y625-V650 HydrophobicContact CG-CG1 3.95Å; Y625-R652 HydrophobicContact CD1-CG 4.45Å
626	D	86.5	Confident	86.3	Confident	61 Å²	61	49.3 Å²	49.3	33%	0.326	26%	0.263	S	S	.	.			trans	-91.1	113.8	176.3	-173.5	-0.7	0	0	0	111.2	R624 S628 R629 N634	R624-D626 PolarHBondContact O-N 3.15Å; D626-S628 PolarHBondContact O-N 3.24Å; D626-S628 VanDerWaalsContact OD1-CB 3.27Å; D626-S628 WeakPolarHBondContact OD1-CB 3.46Å; D626-S628 PolarHBondContact OD1-N 3.27Å; D626-S628 PolarHBondContact OD1-OG 3.3Å; D626-S628 PolarHBondContact OD2-OG 2.94Å; D626-R629 PolarHBondContact O-N 3.34Å; D626-R629 IonicContact OD2-NE 3.07Å; D626-N634 PolarHBondContact O-ND2 2.96Å
627	A	83.9	Confident	85.7	Confident	20 Å²	20	49.8 Å²	49.8	17%	0.165	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.8	178.4	0	0	0	0	0	114.1	Y804	A627-Y804 PolarHBondContact O-N 3.44Å
628	S	84.6	Confident	85.1	Confident	70 Å²	70	51.8 Å²	51.8	49%	0.49	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-29.2	175.8	80	0	0	0	0	112.5	D626	D626-S628 PolarHBondContact O-N 3.24Å; D626-S628 VanDerWaalsContact OD1-CB 3.27Å; D626-S628 WeakPolarHBondContact OD1-CB 3.46Å; D626-S628 PolarHBondContact OD1-N 3.27Å; D626-S628 PolarHBondContact OD1-OG 3.3Å; D626-S628 PolarHBondContact OD2-OG 2.94Å
629	R	83.7	Confident	84.7	Confident	137 Å²	137	56.7 Å²	56.7	52%	0.517	31%	0.309	S	S	.	.	S	Bend	trans	-91.9	162.7	179.8	-62.9	-174.8	-174.8	-160	-1.9	111.5	D626 E633	D626-R629 PolarHBondContact O-N 3.34Å; D626-R629 IonicContact OD2-NE 3.07Å; R629-E633 HydrophobicContact CB-CB 4.28Å
630	T	82.3	Confident	84.3	Confident	20 Å²	20	57.7 Å²	57.7	12%	0.123	32%	0.322	C	S	.	.			trans	-73.2	156.8	172.7	62.9	0	0	0	0	110.6	S632 E633 N634 K803	T630-S632 PolarHBondContact O-N 3.05Å; T630-E633 PolarHBondContact N-OE2 3.37Å; T630-E633 PolarHBondContact O-N 3.32Å; T630-E633 VanDerWaalsContact O-N 3.1Å; T630-E633 VanDerWaalsContact OG1-CD 3.23Å; T630-E633 VanDerWaalsContact OG1-CG 3.27Å; T630-E633 WeakPolarHBondContact OG1-CG 3.46Å; T630-E633 PolarHBondContact OG1-N 2.95Å; T630-E633 PolarHBondContact OG1-OE2 3.43Å; T630-N634 PolarHBondContact O-N 2.92Å; T630-N634 VanDerWaalsContact O-N 3.13Å; T630-N634 PolarHBondContact O-ND2 3.29Å; T630-K803 HydrophobicContact CG2-CD 4.31Å; T630-K803 HydrophobicContact CG2-CG 4.03Å
631	F	83.2	Confident	84.1	Confident	3 Å²	3	57.6 Å²	57.6	1%	0.013	32%	0.321	C	S	.	.	H	α-helix	trans	-55.5	-39	174.3	-174.4	-96.4	0	0	0	113.1	L508 C510 Y625 E633 N634 V635 L642 F648 V650 T801	L508-F631 HydrophobicContact CD2-CE1 3.95Å; L508-F631 HydrophobicContact CD2-CZ 3.83Å; C510-F631 HydrophobicContact CB-CE2 3.61Å; C510-F631 HydrophobicContact CB-CZ 3.9Å; Y625-F631 HydrophobicContact CE2-CD2 4.04Å; Y625-F631 HydrophobicContact CE2-CE2 4.41Å; F631-E633 VanDerWaalsContact C-N 3.26Å; F631-E633 PolarHBondContact O-N 2.78Å; F631-N634 PolarHBondContact O-N 3.13Å; F631-V635 HydrophobicContact CD2-CG2 4.44Å; F631-V635 HydrophobicContact CE1-CG2 4.11Å; F631-V635 HydrophobicContact CE2-CG2 4.02Å; F631-V635 HydrophobicContact CZ-CG2 3.84Å; F631-V635 PolarHBondContact O-N 3.31Å; F631-V635 VanDerWaalsContact O-N 3.1Å; F631-L642 HydrophobicContact CD1-CD1 4.3Å; F631-L642 HydrophobicContact CD1-CD2 4.15Å; F631-L642 HydrophobicContact CE1-CD2 3.66Å; F631-F648 AromaticContact CE1-CD1 3.92Å; F631-F648 HydrophobicContact CE1-CD1 3.92Å; F631-F648 HydrophobicContact CE1-CE1 4.19Å; F631-F648 HydrophobicContact CZ-CD1 4.11Å; F631-V650 HydrophobicContact CD2-CG2 3.93Å; F631-V650 HydrophobicContact CE2-CG2 3.87Å; F631-T801 HydrophobicContact CB-CG2 4.17Å; F631-T801 WeakPolarHBondContact CB-O 3.36Å; F631-T801 HydrophobicContact CD2-CG2 4.14Å; F631-T801 HydrophobicContact CG-CG2 4.03Å; F631-T801 PolarHBondContact N-O 3.4Å
632	S	82.3	Confident	84	Confident	46 Å²	46	52.3 Å²	52.3	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-67.2	-23.8	178.7	-168.6	0	0	0	0	113.8	T630	T630-S632 PolarHBondContact O-N 3.05Å
633	E	83.9	Confident	84	Confident	100 Å²	100	49.4 Å²	49.4	47%	0.467	27%	0.274	S	S	.	.	H	α-helix	trans	-87.5	-24.1	175.1	-69.6	162.4	159.4	0	0	111.7	R629 T630 F631	R629-E633 HydrophobicContact CB-CB 4.28Å; T630-E633 PolarHBondContact N-OE2 3.37Å; T630-E633 PolarHBondContact O-N 3.32Å; T630-E633 VanDerWaalsContact O-N 3.1Å; T630-E633 VanDerWaalsContact OG1-CD 3.23Å; T630-E633 VanDerWaalsContact OG1-CG 3.27Å; T630-E633 WeakPolarHBondContact OG1-CG 3.46Å; T630-E633 PolarHBondContact OG1-N 2.95Å; T630-E633 PolarHBondContact OG1-OE2 3.43Å; F631-E633 VanDerWaalsContact C-N 3.26Å; F631-E633 PolarHBondContact O-N 2.78Å
634	N	85.7	Confident	84.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-80.5	-25.2	178.3	-76.3	-27.2	0	0	0	112.7	I621 Y625 D626 T630 F631	I621-N634 WeakPolarHBondContact CG1-O 3.45Å; I621-N634 PolarHBondContact N-O 3.44Å; I621-N634 VanDerWaalsContact N-O 3.16Å; Y625-N634 HydrophobicContact CD2-CB 4.32Å; Y625-N634 HydrophobicContact CE2-CB 3.98Å; Y625-N634 WeakPolarHBondContact CE2-ND2 3.37Å; Y625-N634 VanDerWaalsContact CZ-ND2 3.35Å; D626-N634 PolarHBondContact O-ND2 2.96Å; T630-N634 PolarHBondContact O-N 2.92Å; T630-N634 VanDerWaalsContact O-N 3.13Å; T630-N634 PolarHBondContact O-ND2 3.29Å; F631-N634 PolarHBondContact O-N 3.13Å
635	V	83.1	Confident	84.4	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-124.5	124.6	-178.8	-164.3	0	0	0	0	108.3	C510 A618 F631 L637	C510-V635 HydrophobicContact CB-CG2 4.47Å; C510-V635 VanDerWaalsContact SG-CG2 3.55Å; A618-V635 HydrophobicContact CB-CG1 4.15Å; F631-V635 HydrophobicContact CD2-CG2 4.44Å; F631-V635 HydrophobicContact CE1-CG2 4.11Å; F631-V635 HydrophobicContact CE2-CG2 4.02Å; F631-V635 HydrophobicContact CZ-CG2 3.84Å; F631-V635 PolarHBondContact O-N 3.31Å; F631-V635 VanDerWaalsContact O-N 3.1Å; V635-L637 HydrophobicContact CB-CD1 4.47Å; V635-L637 HydrophobicContact CG1-CB 4.44Å; V635-L637 HydrophobicContact CG1-CD1 3.49Å; V635-L637 VanDerWaalsContact CG1-CD1 3.49Å; V635-L637 HydrophobicContact CG1-CG 3.72Å; V635-L637 PolarHBondContact O-N 3.27Å
636	D	82.7	Confident	84.6	Confident	104 Å²	104	40.2 Å²	40.2	56%	0.556	23%	0.228	S	C	*	.			trans	-76.5	61.5	-178.3	-171	33.2	0	0	0	111.7	R585 I621	R585-D636 PolarHBondContact NH2-O 3.49Å; I621-D636 HydrophobicContact CD1-CB 3.95Å; I621-D636 HydrophobicContact CG1-CB 4.34Å
637	L	81.4	Confident	84.8	Confident	9 Å²	9	37.5 Å²	37.5	5%	0.047	21%	0.214	C	C	.	.			trans	-124.5	137.2	179.9	-67	171	0	0	0	110.1	L508 F577 V635 I641 L642	L508-L637 HydrophobicContact CD2-CD1 4.15Å; F577-L637 HydrophobicContact CD1-CD1 3.74Å; F577-L637 HydrophobicContact CD1-CD2 3.71Å; F577-L637 HydrophobicContact CD1-CG 4.35Å; F577-L637 HydrophobicContact CE1-CD1 3.74Å; F577-L637 HydrophobicContact CE1-CD2 3.47Å; F577-L637 VanDerWaalsContact CE1-CD2 3.47Å; F577-L637 HydrophobicContact CE1-CG 4.26Å; V635-L637 HydrophobicContact CB-CD1 4.47Å; V635-L637 HydrophobicContact CG1-CB 4.44Å; V635-L637 HydrophobicContact CG1-CD1 3.49Å; V635-L637 VanDerWaalsContact CG1-CD1 3.49Å; V635-L637 HydrophobicContact CG1-CG 3.72Å; V635-L637 PolarHBondContact O-N 3.27Å; L637-I641 HydrophobicContact CD2-CD1 3.97Å; L637-L642 HydrophobicContact CB-CD2 4.27Å; L637-L642 HydrophobicContact CB-CG 4.4Å; L637-L642 HydrophobicContact CD1-CD2 4.18Å
638	G	80.8	Confident	85.2	Confident	43 Å²	43	37.6 Å²	37.6	44%	0.443	21%	0.21	S	C	.	.			trans	-64.5	147.4	175.4	0	0	0	0	0	112.8	A640 I641 L642	G638-A640 PolarHBondContact O-N 3.08Å; G638-A640 VanDerWaalsContact O-N 3.13Å; G638-I641 WeakPolarHBondContact O-CB 3.42Å; G638-I641 PolarHBondContact O-N 2.9Å; G638-L642 PolarHBondContact O-N 3.21Å
639	E	82	Confident	85.5	Confident	104 Å²	104	34.5 Å²	34.5	49%	0.486	19%	0.189	S	C	.	.	H	α-helix	trans	-55.9	-32	177.9	-173.2	176.9	-174.2	0	0	112.3	I641 L642 S643 S757	E639-I641 VanDerWaalsContact C-N 3.29Å; E639-I641 PolarHBondContact O-N 3.34Å; E639-L642 PolarHBondContact O-N 3.5Å; E639-S643 WeakPolarHBondContact O-CB 3.48Å; E639-S643 PolarHBondContact O-N 3.35Å; E639-S757 PolarHBondContact OE1-OG 3.29Å
640	A	83.5	Confident	85.8	Confident	60 Å²	60	28.7 Å²	28.7	50%	0.496	17%	0.169	S	C	.	.	H	α-helix	trans	-62.4	-32.4	175.8	0	0	0	0	0	113.3	G638 R644	G638-A640 PolarHBondContact O-N 3.08Å; G638-A640 VanDerWaalsContact O-N 3.13Å; A640-R644 WeakPolarHBondContact O-CG 3.49Å
641	I	86.3	Confident	86.1	Confident	4 Å²	4	28 Å²	28	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-74.9	-49.4	176.2	-63.3	179	0	0	0	108.1	F577 R585 H589 L637 G638 E639 S643 R644 F645	F577-I641 HydrophobicContact CE1-CG2 3.97Å; F577-I641 HydrophobicContact CZ-CG2 4.06Å; R585-I641 HydrophobicContact CB-CD1 4.45Å; R585-I641 HydrophobicContact CG-CD1 4.43Å; H589-I641 WeakPolarHBondContact CE1-CG1 3.36Å; H589-I641 PolarHBondContact CE1-N 3.3Å; H589-I641 VanDerWaalsContact CE1-N 3.29Å; H589-I641 WeakPolarHBondContact NE2-CG1 3.39Å; L637-I641 HydrophobicContact CD2-CD1 3.97Å; G638-I641 WeakPolarHBondContact O-CB 3.42Å; G638-I641 PolarHBondContact O-N 2.9Å; E639-I641 VanDerWaalsContact C-N 3.29Å; E639-I641 PolarHBondContact O-N 3.34Å; I641-S643 VanDerWaalsContact C-N 3.27Å; I641-S643 PolarHBondContact O-N 3.27Å; I641-R644 WeakPolarHBondContact O-CB 3.44Å; I641-R644 PolarHBondContact O-N 3.44Å; I641-F645 HydrophobicContact CG2-CD2 4.09Å; I641-F645 HydrophobicContact CG2-CE2 3.56Å; I641-F645 WeakPolarHBondContact O-CD2 3.46Å
642	L	85.7	Confident	86.2	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-57.7	-42.5	-176.4	-64.8	179	0	0	0	111.3	L508 F631 L637 G638 E639 R644 F645 F648	L508-L642 HydrophobicContact CD2-CD2 4.06Å; F631-L642 HydrophobicContact CD1-CD1 4.3Å; F631-L642 HydrophobicContact CD1-CD2 4.15Å; F631-L642 HydrophobicContact CE1-CD2 3.66Å; L637-L642 HydrophobicContact CB-CD2 4.27Å; L637-L642 HydrophobicContact CB-CG 4.4Å; L637-L642 HydrophobicContact CD1-CD2 4.18Å; G638-L642 PolarHBondContact O-N 3.21Å; E639-L642 PolarHBondContact O-N 3.5Å; L642-R644 PolarHBondContact O-N 2.93Å; L642-F645 PolarHBondContact O-N 3.04Å; L642-F645 VanDerWaalsContact O-N 3.08Å; L642-F648 HydrophobicContact CB-CE1 4.45Å; L642-F648 HydrophobicContact CB-CZ 4.34Å; L642-F648 HydrophobicContact CD2-CE1 3.91Å; L642-F648 VanDerWaalsContact O-CZ 3.28Å; L642-F648 WeakPolarHBondContact O-CZ 3.44Å
643	S	85.6	Confident	86.3	Confident	19 Å²	19	33.5 Å²	33.5	13%	0.133	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.4	177.2	177.8	0	0	0	0	114.8	E639 I641 R761	E639-S643 WeakPolarHBondContact O-CB 3.48Å; E639-S643 PolarHBondContact O-N 3.35Å; I641-S643 VanDerWaalsContact C-N 3.27Å; I641-S643 PolarHBondContact O-N 3.27Å; S643-R761 WeakPolarHBondContact O-CD 3.27Å; S643-R761 WeakPolarHBondContact OG-CD 3.49Å; S643-R761 PolarHBondContact OG-NH1 3.44Å
644	R	88	Confident	86.2	Confident	30 Å²	30	34.4 Å²	34.4	11%	0.113	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10	-179.8	-63.2	-75.8	-177	73.4	1.2	113.7	R502 N506 H589 M592 E593 A640 I641 L642	R502-R644 PolarHBondContact NH2-O 3Å; R502-R644 VanDerWaalsContact NH2-O 3.17Å; N506-R644 PolarHBondContact ND2-O 2.68Å; N506-R644 VanDerWaalsContact ND2-O 3.12Å; H589-R644 PolarHBondContact O-NH1 3.44Å; M592-R644 HydrophobicContact CB-CB 4.25Å; M592-R644 HydrophobicContact CB-CG 4.47Å; M592-R644 HydrophobicContact CE-CB 3.6Å; M592-R644 HydrophobicContact SD-CB 4.08Å; E593-R644 VanDerWaalsContact CB-NH1 3.32Å; E593-R644 VanDerWaalsContact CD-NE 3.28Å; E593-R644 VanDerWaalsContact CG-NH2 3.33Å; E593-R644 IonicContact OE1-CZ 3.75Å; E593-R644 IonicContact OE1-NE 3.79Å; E593-R644 IonicContact OE1-NH2 2.64Å; E593-R644 PolarHBondContact OE1-NH2 3.46Å; E593-R644 VanDerWaalsContact OE2-CD 3.24Å; E593-R644 WeakPolarHBondContact OE2-CD 3.42Å; E593-R644 IonicContact OE2-CZ 2.72Å; E593-R644 IonicContact OE2-NE 2.96Å; E593-R644 PolarHBondContact OE2-NE 2.96Å; E593-R644 IonicContact OE2-NH1 3.89Å; E593-R644 IonicContact OE2-NH2 3.46Å; E593-R644 PolarHBondContact OE2-NH2 2.96Å; A640-R644 WeakPolarHBondContact O-CG 3.49Å; I641-R644 WeakPolarHBondContact O-CB 3.44Å; I641-R644 PolarHBondContact O-N 3.44Å; L642-R644 PolarHBondContact O-N 2.93Å
645	F	89.9	Confident	85.9	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	23%	0.231	C	C	.	.			trans	-85.7	135.2	171.5	-75.9	-77.3	0	0	0	109.7	N506 L508 F577 M592 V614 A616 I641 L642 F648	N506-F645 HydrophobicContact CB-CD1 3.64Å; N506-F645 HydrophobicContact CB-CE1 4.1Å; N506-F645 HydrophobicContact CB-CG 4.43Å; L508-F645 HydrophobicContact CB-CB 4.47Å; L508-F645 HydrophobicContact CB-CD1 3.77Å; L508-F645 HydrophobicContact CB-CD2 4.35Å; L508-F645 HydrophobicContact CB-CE1 4.04Å; L508-F645 HydrophobicContact CB-CG 3.95Å; L508-F645 HydrophobicContact CB-CZ 4.43Å; L508-F645 HydrophobicContact CD1-CZ 4.44Å; L508-F645 HydrophobicContact CD2-CD2 4.32Å; L508-F645 HydrophobicContact CD2-CE2 4.43Å; F577-F645 HydrophobicContact CE1-CE2 4.2Å; F577-F645 HydrophobicContact CE1-CZ 4.35Å; F577-F645 HydrophobicContact CZ-CE2 4.31Å; F577-F645 HydrophobicContact CZ-CZ 4.25Å; M592-F645 HydrophobicContact CE-CD1 4.14Å; M592-F645 HydrophobicContact CE-CD2 4.09Å; M592-F645 HydrophobicContact CE-CE1 3.95Å; M592-F645 HydrophobicContact CE-CE2 3.92Å; M592-F645 HydrophobicContact CE-CG 4.21Å; M592-F645 HydrophobicContact CE-CZ 3.84Å; V614-F645 HydrophobicContact CG1-CE1 4.32Å; V614-F645 HydrophobicContact CG1-CZ 4.46Å; A616-F645 HydrophobicContact CB-CE1 4.3Å; A616-F645 HydrophobicContact CB-CZ 4.14Å; I641-F645 HydrophobicContact CG2-CD2 4.09Å; I641-F645 HydrophobicContact CG2-CE2 3.56Å; I641-F645 WeakPolarHBondContact O-CD2 3.46Å; L642-F645 PolarHBondContact O-N 3.04Å; L642-F645 VanDerWaalsContact O-N 3.08Å; F645-F648 HydrophobicContact CB-CD1 4.48Å; F645-F648 HydrophobicContact CB-CE1 3.78Å; F645-F648 HydrophobicContact CB-CZ 3.96Å
646	D	90.7	Very high	85.7	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.037	24%	0.24	C	C	.	.	S	Bend	trans	-88	-37.4	-179.4	-59.2	-67.4	0	0	0	111.1	R502 I505 N506 S765 R768	R502-D646 IonicContact CZ-OD1 2.98Å; R502-D646 IonicContact CZ-OD2 3.46Å; R502-D646 IonicContact NH1-OD2 2.75Å; R502-D646 IonicContact NH2-OD1 3.4Å; R502-D646 PolarHBondContact NH2-OD1 3.34Å; R502-D646 IonicContact NH2-OD2 2.73Å; R502-D646 PolarHBondContact NH2-OD2 2.98Å; I505-D646 WeakPolarHBondContact CA-OD2 3.45Å; I505-D646 HydrophobicContact CG2-CB 4.21Å; N506-D646 PolarHBondContact N-OD2 2.94Å; N506-D646 PolarHBondContact O-N 2.94Å; D646-S765 VanDerWaalsContact OD1-CB 3.23Å; D646-S765 WeakPolarHBondContact OD1-CB 3.45Å; D646-S765 PolarHBondContact OD1-OG 3.11Å; D646-R768 IonicContact OD1-NH1 3.73Å; D646-R768 PolarHBondContact OD1-NH1 3.49Å; D646-R768 VanDerWaalsContact OD1-NH1 3.07Å
647	V	91.4	Very high	85.5	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.5	-177.7	-173.6	0	0	0	0	110.6	A482 N506 V507 L508 L769 V793	A482-V647 HydrophobicContact CB-CG1 3.85Å; N506-V647 PolarHBondContact O-N 2.95Å; V507-V647 WeakPolarHBondContact CA-O 3.43Å; V507-V647 HydrophobicContact CG2-CB 4.4Å; L508-V647 PolarHBondContact N-O 3.23Å; V647-L769 HydrophobicContact CG2-CD1 4.15Å; V647-L769 HydrophobicContact CG2-CD2 4.08Å; V647-V793 HydrophobicContact CG1-CG1 4.41Å; V647-V793 HydrophobicContact CG2-CG1 4.31Å
648	F	91.8	Very high	85.4	Confident	22 Å²	22	38.5 Å²	38.5	10%	0.096	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	131	166.5	-52.7	-80.1	0	0	0	110.4	L508 F631 L642 F645 S797 T801	L508-F648 HydrophobicContact CB-CD1 4.19Å; L508-F648 HydrophobicContact CD2-CD1 4.05Å; L508-F648 HydrophobicContact CD2-CE1 4.15Å; F631-F648 AromaticContact CE1-CD1 3.92Å; F631-F648 HydrophobicContact CE1-CD1 3.92Å; F631-F648 HydrophobicContact CE1-CE1 4.19Å; F631-F648 HydrophobicContact CZ-CD1 4.11Å; L642-F648 HydrophobicContact CB-CE1 4.45Å; L642-F648 HydrophobicContact CB-CZ 4.34Å; L642-F648 HydrophobicContact CD2-CE1 3.91Å; L642-F648 VanDerWaalsContact O-CZ 3.28Å; L642-F648 WeakPolarHBondContact O-CZ 3.44Å; F645-F648 HydrophobicContact CB-CD1 4.48Å; F645-F648 HydrophobicContact CB-CE1 3.78Å; F645-F648 HydrophobicContact CB-CZ 3.96Å; F648-S797 VanDerWaalsContact CA-OG 3.32Å; F648-S797 WeakPolarHBondContact CA-OG 3.31Å; F648-S797 WeakPolarHBondContact CB-OG 3.28Å; F648-S797 PolarHBondContact N-OG 3.21Å; F648-S797 WeakPolarHBondContact O-CB 3.34Å; F648-S797 PolarHBondContact O-OG 3.22Å; F648-T801 HydrophobicContact CB-CG2 3.71Å; F648-T801 HydrophobicContact CD2-CG2 4.05Å; F648-T801 HydrophobicContact CG-CG2 3.89Å
649	C	91.1	Very high	85.2	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.9	172	-63.7	0	0	0	0	109.2	I479 L508 I509 C510	I479-C649 HydrophobicContact CG1-CB 4.02Å; L508-C649 PolarHBondContact O-N 3.05Å; I509-C649 WeakPolarHBondContact CA-O 3.39Å; I509-C649 HydrophobicContact CG1-CB 4.5Å; C510-C649 PolarHBondContact N-O 3.44Å
650	V	90.5	Very high	85.4	Confident	14 Å²	14	39.3 Å²	39.3	9%	0.085	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.1	177.1	-178	0	0	0	0	109.6	C510 Y625 F631 R652 Q800	C510-V650 CarbonylContact O-C 3.6Å; C510-V650 WeakPolarHBondContact O-CA 3.38Å; Y625-V650 HydrophobicContact CD1-CG1 3.82Å; Y625-V650 HydrophobicContact CD2-CG1 3.89Å; Y625-V650 HydrophobicContact CE1-CG1 3.62Å; Y625-V650 HydrophobicContact CE2-CG1 3.67Å; Y625-V650 HydrophobicContact CE2-CG2 4.35Å; Y625-V650 HydrophobicContact CG-CG1 3.95Å; F631-V650 HydrophobicContact CD2-CG2 3.93Å; F631-V650 HydrophobicContact CE2-CG2 3.87Å; V650-R652 HydrophobicContact CG1-CG 4.14Å; V650-Q800 HydrophobicContact CB-CB 4.3Å; V650-Q800 HydrophobicContact CG2-CB 4.22Å
651	V	88.8	Confident	85.5	Confident	6 Å²	6	39.2 Å²	39.2	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.3	175.5	-163.6	0	0	0	0	109.4	H476 I479 I509 C510 G511 T515	H476-V651 WeakPolarHBondContact CE1-CG1 3.49Å; I479-V651 HydrophobicContact CD1-CG2 3.39Å; I509-V651 HydrophobicContact CG2-CG2 3.95Å; C510-V651 PolarHBondContact O-N 3.27Å; G511-V651 WeakPolarHBondContact CA-O 3.43Å; T515-V651 HydrophobicContact CG2-CG1 3.87Å
652	R	85	Confident	85.4	Confident	69 Å²	69	41.3 Å²	41.3	26%	0.26	23%	0.229	S	C	.	.			trans	-119.9	132.8	178.5	-59.4	-179.2	-175.7	-179.6	-0.3	108.9	Y625 V650 N654 Q800	Y625-R652 HydrophobicContact CD1-CG 4.45Å; V650-R652 HydrophobicContact CG1-CG 4.14Å; R652-N654 PolarHBondContact O-N 2.89Å; R652-Q800 PolarHBondContact NH2-O 3Å
653	D	84.6	Confident	85.4	Confident	96 Å²	96	44.9 Å²	44.9	51%	0.513	25%	0.248	S	C	.	.			trans	-84.8	95.8	171.2	-174.3	26.9	0	0	0	109.9	D512	D512-D653 PolarHBondContact OD2-N 2.81Å
654	N	81.3	Confident	85.5	Confident	119 Å²	119	46.6 Å²	46.6	64%	0.636	26%	0.263	S	S	*	.			trans	-102.3	120.2	173.9	-65.9	-28.3	0	0	0	108.8	R652 D656	R652-N654 PolarHBondContact O-N 2.89Å; N654-D656 PolarHBondContact O-N 2.98Å
655	A	79.1	Confident	85.5	Confident	97 Å²	97	50 Å²	50	80%	0.802	28%	0.279	S	S	*	.			trans	-69.5	100.9	176.5	0	0	0	0	0	111.4
656	D	78.5	Confident	85.3	Confident	35 Å²	35	52.7 Å²	52.7	19%	0.187	29%	0.29	C	S	.	.			trans	-118	113.9	169.7	-178.9	8.6	0	0	0	108.9	N654 V658 E659 D660 K833	N654-D656 PolarHBondContact O-N 2.98Å; D656-V658 PolarHBondContact O-N 3.06Å; D656-V658 VanDerWaalsContact O-N 3.09Å; D656-V658 PolarHBondContact OD1-N 3.44Å; D656-E659 HydrophobicContact CB-CB 4.17Å; D656-E659 HydrophobicContact CB-CG 4.24Å; D656-E659 PolarHBondContact O-N 2.98Å; D656-E659 WeakPolarHBondContact OD2-CG 3.42Å; D656-D660 VanDerWaalsContact O-CG 3.31Å; D656-D660 PolarHBondContact O-N 2.84Å; D656-K833 IonicContact OD2-NZ 3.53Å; D656-K833 PolarHBondContact OD2-NZ 2.9Å
657	A	79.4	Confident	85.2	Confident	61 Å²	61	55.3 Å²	55.3	50%	0.504	31%	0.307	S	S	.	.	H	α-helix	trans	-56.6	-31.7	-174.9	0	0	0	0	0	113.4	E661	A657-E661 PolarHBondContact O-N 2.84Å; A657-E661 VanDerWaalsContact O-N 3.11Å
658	V	79.3	Confident	85.1	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.055	33%	0.33	C	S	.	.	H	α-helix	trans	-73.4	-39.5	179.3	-179.3	0	0	0	0	111.4	D656 R662	D656-V658 PolarHBondContact O-N 3.06Å; D656-V658 VanDerWaalsContact O-N 3.09Å; D656-V658 PolarHBondContact OD1-N 3.44Å; V658-R662 WeakPolarHBondContact O-CG 3.26Å; V658-R662 PolarHBondContact O-N 3.43Å
659	E	77.7	Confident	84.9	Confident	86 Å²	86	60.6 Å²	60.6	40%	0.402	34%	0.337	S	S	.	.	H	α-helix	trans	-72.9	-37.4	178.7	-67.4	179.1	-178.5	0	0	110.5	D656 R662 L663 K833	D656-E659 HydrophobicContact CB-CB 4.17Å; D656-E659 HydrophobicContact CB-CG 4.24Å; D656-E659 PolarHBondContact O-N 2.98Å; D656-E659 WeakPolarHBondContact OD2-CG 3.42Å; E659-R662 PolarHBondContact O-N 3.3Å; E659-L663 WeakPolarHBondContact O-CB 3.08Å; E659-L663 PolarHBondContact O-N 3.4Å; E659-K833 IonicContact OE1-NZ 3.95Å; E659-K833 PolarHBondContact OE1-NZ 2.73Å
660	D	85.3	Confident	84.6	Confident	77 Å²	77	61.9 Å²	61.9	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-61.7	-43.9	174.2	-68	-20	0	0	0	112.1	D656 R662 L663 A664	D656-D660 VanDerWaalsContact O-CG 3.31Å; D656-D660 PolarHBondContact O-N 2.84Å; D660-R662 VanDerWaalsContact C-N 3.3Å; D660-R662 PolarHBondContact O-N 2.95Å; D660-L663 PolarHBondContact O-N 2.93Å; D660-A664 WeakPolarHBondContact O-CB 3.28Å; D660-A664 PolarHBondContact O-N 2.81Å
661	E	85.6	Confident	84.3	Confident	58 Å²	58	67.9 Å²	67.9	27%	0.271	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-40.4	176.4	-168.6	-168.5	148.9	0	0	111.2	A657 A664 K665 R890	A657-E661 PolarHBondContact O-N 2.84Å; A657-E661 VanDerWaalsContact O-N 3.11Å; E661-A664 PolarHBondContact O-N 3.46Å; E661-K665 WeakPolarHBondContact O-CB 3.47Å; E661-K665 WeakPolarHBondContact O-CG 3.41Å; E661-K665 PolarHBondContact O-N 3.42Å; E661-K665 WeakPolarHBondContact OE1-CE 3.44Å; E661-K665 IonicContact OE1-NZ 2.68Å; E661-K665 PolarHBondContact OE1-NZ 3.26Å; E661-R890 IonicContact OE1-CZ 3.71Å; E661-R890 IonicContact OE1-NH2 2.75Å; E661-R890 PolarHBondContact OE1-NH2 2.96Å; E661-R890 IonicContact OE2-CZ 3.08Å; E661-R890 IonicContact OE2-NH1 3.49Å; E661-R890 PolarHBondContact OE2-NH1 3.4Å; E661-R890 IonicContact OE2-NH2 2.86Å; E661-R890 PolarHBondContact OE2-NH2 3.17Å
662	R	83.6	Confident	84.3	Confident	49 Å²	49	72.3 Å²	72.3	19%	0.185	40%	0.395	C	S	.	.	H	α-helix	trans	-68.2	-44.9	178.5	-72.8	174.6	175.1	169	1.5	111.8	Y474 V658 E659 D660 A664 K665 F666 S888 N889	Y474-R662 HydrophobicContact CE1-CB 4.2Å; Y474-R662 WeakPolarHBondContact OH-CD 3.42Å; V658-R662 WeakPolarHBondContact O-CG 3.26Å; V658-R662 PolarHBondContact O-N 3.43Å; E659-R662 PolarHBondContact O-N 3.3Å; D660-R662 VanDerWaalsContact C-N 3.3Å; D660-R662 PolarHBondContact O-N 2.95Å; R662-A664 VanDerWaalsContact C-N 3.32Å; R662-K665 PolarHBondContact O-N 2.86Å; R662-F666 VanDerWaalsContact O-CB 3.31Å; R662-F666 WeakPolarHBondContact O-CB 3.28Å; R662-F666 PolarHBondContact O-N 2.93Å; R662-S888 PolarHBondContact NH2-O 3.38Å; R662-N889 VanDerWaalsContact CZ-OD1 3.23Å; R662-N889 PolarHBondContact NH1-OD1 3.49Å; R662-N889 VanDerWaalsContact NH2-CG 3.31Å; R662-N889 PolarHBondContact NH2-OD1 3.36Å
663	L	85.9	Confident	84.2	Confident	79 Å²	79	75.8 Å²	75.8	41%	0.414	41%	0.412	S	S	.	.	H	α-helix	trans	-60.2	-45.7	174.9	-177.8	66.8	0	0	0	110.2	E659 D660 K665 F666 V667	E659-L663 WeakPolarHBondContact O-CB 3.08Å; E659-L663 PolarHBondContact O-N 3.4Å; D660-L663 PolarHBondContact O-N 2.93Å; L663-K665 PolarHBondContact O-N 3.29Å; L663-F666 PolarHBondContact O-N 2.79Å; L663-V667 HydrophobicContact CD1-CG2 4.3Å; L663-V667 HydrophobicContact CG-CG2 4.4Å; L663-V667 WeakPolarHBondContact O-CB 3.42Å; L663-V667 VanDerWaalsContact O-CG2 3.26Å; L663-V667 WeakPolarHBondContact O-CG2 3.39Å; L663-V667 PolarHBondContact O-N 3.39Å
664	A	87.3	Confident	83.9	Confident	54 Å²	54	78.1 Å²	78.1	45%	0.446	42%	0.42	S	S	.	.	H	α-helix	trans	-60.6	-46.8	177.9	0	0	0	0	0	111.8	D660 E661 R662 F666 V667 V668	D660-A664 WeakPolarHBondContact O-CB 3.28Å; D660-A664 PolarHBondContact O-N 2.81Å; E661-A664 PolarHBondContact O-N 3.46Å; R662-A664 VanDerWaalsContact C-N 3.32Å; A664-F666 VanDerWaalsContact C-N 3.33Å; A664-F666 PolarHBondContact O-N 3.01Å; A664-V667 PolarHBondContact O-N 2.92Å; A664-V668 WeakPolarHBondContact O-CB 3.36Å; A664-V668 VanDerWaalsContact O-CG2 3.23Å; A664-V668 WeakPolarHBondContact O-CG2 3.35Å; A664-V668 PolarHBondContact O-N 3.49Å
665	K	89.6	Confident	83.8	Confident	103 Å²	103	77 Å²	77	45%	0.448	41%	0.41	S	S	.	.	H	α-helix	trans	-58.2	-46.9	174.6	-78.3	178	-174.7	170.5	0	111.5	E661 R662 L663 V668 Q669	E661-K665 WeakPolarHBondContact O-CB 3.47Å; E661-K665 WeakPolarHBondContact O-CG 3.41Å; E661-K665 PolarHBondContact O-N 3.42Å; E661-K665 WeakPolarHBondContact OE1-CE 3.44Å; E661-K665 IonicContact OE1-NZ 2.68Å; E661-K665 PolarHBondContact OE1-NZ 3.26Å; R662-K665 PolarHBondContact O-N 2.86Å; L663-K665 PolarHBondContact O-N 3.29Å; K665-V668 PolarHBondContact O-N 3.49Å; K665-Q669 WeakPolarHBondContact O-CB 3.48Å; K665-Q669 WeakPolarHBondContact O-CG 3.43Å; K665-Q669 PolarHBondContact O-N 3Å; K665-Q669 PolarHBondContact O-NE2 3.4Å; K665-Q669 PolarHBondContact O-OE1 3.33Å
666	F	85.7	Confident	83.9	Confident	57 Å²	57	76.6 Å²	76.6	25%	0.25	40%	0.4	C	S	.	.	H	α-helix	trans	-62.8	-44.9	-179.4	178.7	-93.2	0	0	0	112	P471 S472 R662 L663 A664 Q669 S670	P471-F666 WeakPolarHBondContact O-CZ 3.24Å; S472-F666 VanDerWaalsContact O-CE1 3.3Å; S472-F666 WeakPolarHBondContact O-CE1 3.43Å; R662-F666 VanDerWaalsContact O-CB 3.31Å; R662-F666 WeakPolarHBondContact O-CB 3.28Å; R662-F666 PolarHBondContact O-N 2.93Å; L663-F666 PolarHBondContact O-N 2.79Å; A664-F666 VanDerWaalsContact C-N 3.33Å; A664-F666 PolarHBondContact O-N 3.01Å; F666-Q669 PolarHBondContact O-N 2.94Å; F666-S670 WeakPolarHBondContact O-CB 3.45Å; F666-S670 PolarHBondContact O-N 2.97Å
667	V	87.9	Confident	83.8	Confident	62 Å²	62	80 Å²	80	38%	0.376	42%	0.418	S	S	.	.	H	α-helix	trans	-63.5	-45.6	176.9	171.2	0	0	0	0	110.8	L663 A664 Q669 S670 H671	L663-V667 HydrophobicContact CD1-CG2 4.3Å; L663-V667 HydrophobicContact CG-CG2 4.4Å; L663-V667 WeakPolarHBondContact O-CB 3.42Å; L663-V667 VanDerWaalsContact O-CG2 3.26Å; L663-V667 WeakPolarHBondContact O-CG2 3.39Å; L663-V667 PolarHBondContact O-N 3.39Å; A664-V667 PolarHBondContact O-N 2.92Å; V667-Q669 PolarHBondContact O-N 3.49Å; V667-S670 WeakPolarHBondContact O-CB 3.34Å; V667-S670 PolarHBondContact O-N 3.34Å; V667-H671 PolarHBondContact O-CD2 2.86Å; V667-H671 VanDerWaalsContact O-CD2 3.25Å; V667-H671 PolarHBondContact O-N 3.1Å
668	V	90.1	Very high	83	Confident	85 Å²	85	80.5 Å²	80.5	52%	0.515	41%	0.412	S	S	.	.	H	α-helix	trans	-60.6	-45.2	177.5	169.6	0	0	0	0	111.2	A664 K665 S670 H671 I672	A664-V668 WeakPolarHBondContact O-CB 3.36Å; A664-V668 VanDerWaalsContact O-CG2 3.23Å; A664-V668 WeakPolarHBondContact O-CG2 3.35Å; A664-V668 PolarHBondContact O-N 3.49Å; K665-V668 PolarHBondContact O-N 3.49Å; V668-S670 VanDerWaalsContact C-N 3.32Å; V668-S670 PolarHBondContact O-N 3.21Å; V668-H671 PolarHBondContact O-N 3.11Å; V668-I672 HydrophobicContact CG1-CD1 3.79Å; V668-I672 HydrophobicContact CG1-CG1 4.45Å; V668-I672 VanDerWaalsContact O-CG1 3.27Å; V668-I672 WeakPolarHBondContact O-CG1 3.4Å; V668-I672 PolarHBondContact O-N 3.14Å
669	Q	87.2	Confident	81.8	Confident	51 Å²	51	89.9 Å²	89.9	24%	0.238	45%	0.446	C	S	.	.	H	α-helix	trans	-63.3	-38.8	177	-69.5	152.4	12	0	0	112.2	K665 F666 V667 I672 K673 P701	K665-Q669 WeakPolarHBondContact O-CB 3.48Å; K665-Q669 WeakPolarHBondContact O-CG 3.43Å; K665-Q669 PolarHBondContact O-N 3Å; K665-Q669 PolarHBondContact O-NE2 3.4Å; K665-Q669 PolarHBondContact O-OE1 3.33Å; F666-Q669 PolarHBondContact O-N 2.94Å; V667-Q669 PolarHBondContact O-N 3.49Å; Q669-I672 PolarHBondContact O-N 3.19Å; Q669-K673 WeakPolarHBondContact O-CG 3.47Å; Q669-K673 PolarHBondContact O-N 3.05Å; Q669-K673 VanDerWaalsContact O-N 3.11Å; Q669-P701 HydrophobicContact CG-CG 3.88Å; Q669-P701 VanDerWaalsContact NE2-CB 3.34Å
670	S	84.4	Confident	80.6	Confident	33 Å²	33	93.1 Å²	93.1	23%	0.231	46%	0.461	C	S	.	.	H	α-helix	trans	-60.2	-50.5	173.7	-172.5	0	0	0	0	110.2	F666 V667 V668 I672 K673 H674	F666-S670 WeakPolarHBondContact O-CB 3.45Å; F666-S670 PolarHBondContact O-N 2.97Å; V667-S670 WeakPolarHBondContact O-CB 3.34Å; V667-S670 PolarHBondContact O-N 3.34Å; V668-S670 VanDerWaalsContact C-N 3.32Å; V668-S670 PolarHBondContact O-N 3.21Å; S670-I672 VanDerWaalsContact C-N 3.32Å; S670-I672 PolarHBondContact O-N 3.05Å; S670-K673 PolarHBondContact O-N 2.74Å; S670-K673 VanDerWaalsContact O-N 3.15Å; S670-H674 PolarHBondContact O-N 3.05Å; S670-H674 PolarHBondContact O-ND1 3.44Å; S670-H674 PolarHBondContact OG-CE1 3.27Å; S670-H674 PolarHBondContact OG-ND1 2.71Å
671	H	84.6	Confident	78.8	Confident	140 Å²	140	95.1 Å²	95.1	65%	0.648	47%	0.472	S	S	*	.	H	α-helix	trans	-61	-37.8	179	-82.9	-76.1	0	0	0	113.5	V667 V668 H674	V667-H671 PolarHBondContact O-CD2 2.86Å; V667-H671 VanDerWaalsContact O-CD2 3.25Å; V667-H671 PolarHBondContact O-N 3.1Å; V668-H671 PolarHBondContact O-N 3.11Å; H671-H674 PolarHBondContact O-N 3.21Å
672	I	88.2	Confident	77.1	Confident	98 Å²	98	100 Å²	100	50%	0.503	50%	0.495	S	S	.	.	H	α-helix	trans	-60.7	-47.7	175.2	-67.7	163.9	0	0	0	110.2	V668 Q669 S670 H674 H675 L678	V668-I672 HydrophobicContact CG1-CD1 3.79Å; V668-I672 HydrophobicContact CG1-CG1 4.45Å; V668-I672 VanDerWaalsContact O-CG1 3.27Å; V668-I672 WeakPolarHBondContact O-CG1 3.4Å; V668-I672 PolarHBondContact O-N 3.14Å; Q669-I672 PolarHBondContact O-N 3.19Å; S670-I672 VanDerWaalsContact C-N 3.32Å; S670-I672 PolarHBondContact O-N 3.05Å; I672-H674 VanDerWaalsContact C-N 3.29Å; I672-H674 PolarHBondContact O-N 2.92Å; I672-H675 PolarHBondContact O-N 3.24Å; I672-L678 HydrophobicContact CG2-CD1 4.01Å; I672-L678 WeakPolarHBondContact O-CD1 3.32Å
673	K	82.8	Confident	75.4	Confident	142 Å²	142	104.9 Å²	104.9	62%	0.617	52%	0.524	S	S	*	.	H	α-helix	trans	-64.9	-27.7	-178.2	-71.2	176.4	-179	-175.6	0	114.3	Q669 S670 H675	Q669-K673 WeakPolarHBondContact O-CG 3.47Å; Q669-K673 PolarHBondContact O-N 3.05Å; Q669-K673 VanDerWaalsContact O-N 3.11Å; S670-K673 PolarHBondContact O-N 2.74Å; S670-K673 VanDerWaalsContact O-N 3.15Å; K673-H675 VanDerWaalsContact C-N 3.35Å
674	H	77.9	Confident	73.4	Confident	145 Å²	145	106.8 Å²	106.8	67%	0.671	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	4	-176.8	-66.5	89	0	0	0	113.6	S670 H671 I672	S670-H674 PolarHBondContact O-N 3.05Å; S670-H674 PolarHBondContact O-ND1 3.44Å; S670-H674 PolarHBondContact OG-CE1 3.27Å; S670-H674 PolarHBondContact OG-ND1 2.71Å; H671-H674 PolarHBondContact O-N 3.21Å; I672-H674 VanDerWaalsContact C-N 3.29Å; I672-H674 PolarHBondContact O-N 2.92Å
675	H	80.8	Confident	70.7	Confident	95 Å²	95	112.6 Å²	112.6	44%	0.44	56%	0.557	S	S	.	*			trans	-69	131.5	175	-161.5	-85.6	0	0	0	110.5	I672 K673 D677 L678	I672-H675 PolarHBondContact O-N 3.24Å; K673-H675 VanDerWaalsContact C-N 3.35Å; H675-D677 VanDerWaalsContact C-N 3.26Å; H675-D677 IonicContact CE1-OD1 3.53Å; H675-D677 IonicContact CE1-OD2 3.58Å; H675-D677 PolarHBondContact CE1-OD2 3.06Å; H675-D677 WeakPolarHBondContact ND1-CB 3.41Å; H675-D677 PolarHBondContact ND1-N 2.98Å; H675-D677 IonicContact ND1-OD1 2.74Å; H675-D677 IonicContact ND1-OD2 3.73Å; H675-D677 PolarHBondContact ND1-OD2 3.31Å; H675-D677 PolarHBondContact O-N 2.64Å; H675-L678 HydrophobicContact CB-CD1 4.4Å; H675-L678 PolarHBondContact O-N 3.2Å
676	P	81.1	Confident	68	Low	90 Å²	90	113 Å²	113	58%	0.584	57%	0.572	S	S	*	*	H	α-helix	trans	-55.6	-38.1	-176.4	19.3	-31.5	0	0	0	113.3	L678 R679	P676-L678 VanDerWaalsContact C-N 3.28Å; P676-L678 PolarHBondContact O-N 3.33Å; P676-R679 WeakPolarHBondContact O-CB 3.38Å; P676-R679 PolarHBondContact O-N 3.46Å; P676-R679 VanDerWaalsContact O-N 3.11Å
677	D	74.8	Confident	65.4	Low	105 Å²	105	116.9 Å²	116.9	56%	0.561	60%	0.603	S	S	*	*	H	α-helix	trans	-63.2	-25.3	-177.7	-56	-1	0	0	0	114.9	H675	H675-D677 VanDerWaalsContact C-N 3.26Å; H675-D677 IonicContact CE1-OD1 3.53Å; H675-D677 IonicContact CE1-OD2 3.58Å; H675-D677 PolarHBondContact CE1-OD2 3.06Å; H675-D677 WeakPolarHBondContact ND1-CB 3.41Å; H675-D677 PolarHBondContact ND1-N 2.98Å; H675-D677 IonicContact ND1-OD1 2.74Å; H675-D677 IonicContact ND1-OD2 3.73Å; H675-D677 PolarHBondContact ND1-OD2 3.31Å; H675-D677 PolarHBondContact O-N 2.64Å
678	L	64.4	Low	62.5	Low	73 Å²	73	116.9 Å²	116.9	38%	0.382	62%	0.616	S	S	.	*	H	α-helix	trans	-79.7	-24.1	178.2	-81.4	158.1	0	0	0	112	I672 H675 P676 E680 N681	I672-L678 HydrophobicContact CG2-CD1 4.01Å; I672-L678 WeakPolarHBondContact O-CD1 3.32Å; H675-L678 HydrophobicContact CB-CD1 4.4Å; H675-L678 PolarHBondContact O-N 3.2Å; P676-L678 VanDerWaalsContact C-N 3.28Å; P676-L678 PolarHBondContact O-N 3.33Å; L678-E680 VanDerWaalsContact C-N 3.32Å; L678-E680 PolarHBondContact O-N 2.94Å; L678-N681 PolarHBondContact O-N 3.29Å
679	R	54.1	Low	59.8	Low	205 Å²	205	118.2 Å²	118.2	77%	0.774	63%	0.629	S	S	*	*	H	α-helix	trans	-71.2	-26.1	-175.2	-140.5	176	178.3	176.9	-1.6	112.8	P676 L683	P676-R679 WeakPolarHBondContact O-CB 3.38Å; P676-R679 PolarHBondContact O-N 3.46Å; P676-R679 VanDerWaalsContact O-N 3.11Å; R679-L683 WeakPolarHBondContact O-CD1 3.5Å
680	E	50.5	Low	57.2	Low	155 Å²	155	121.9 Å²	121.9	72%	0.724	66%	0.657	S	S	*	*	H	α-helix	trans	-80.1	-29.1	176.6	-70.3	-175.4	166.8	0	0	113.1	L678	L678-E680 VanDerWaalsContact C-N 3.32Å; L678-E680 PolarHBondContact O-N 2.94Å
681	N	47.9	Very low	54.6	Low	119 Å²	119	125.2 Å²	125.2	64%	0.636	68%	0.68	S	S	*	*	H	α-helix	trans	-84.9	-25.9	-172.7	-78.6	-37.3	0	0	0	114.4	L678	L678-N681 PolarHBondContact O-N 3.29Å
682	E	49.6	Very low	51.9	Low	161 Å²	161	124.2 Å²	124.2	75%	0.752	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-80.8	-17.8	179.7	-72.3	-172.8	159.6	0	0	113.7	V684	E682-V684 VanDerWaalsContact C-N 3.28Å; E682-V684 PolarHBondContact O-N 3.16Å
683	L	48.7	Very low	48.9	Very low	150 Å²	150	128.4 Å²	128.4	79%	0.785	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-77.6	-5	-179.6	-78.8	159.2	0	0	0	114.4	R679	R679-L683 WeakPolarHBondContact O-CD1 3.5Å
684	V	43.7	Very low	46.3	Very low	120 Å²	120	125.9 Å²	125.9	73%	0.727	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-103.9	-5.9	-175.6	-177	0	0	0	0	113.8	E682 S686	E682-V684 VanDerWaalsContact C-N 3.28Å; E682-V684 PolarHBondContact O-N 3.16Å; V684-S686 PolarHBondContact O-N 3.23Å
685	Q	31.4	Very low	43.8	Very low	176 Å²	176	126.9 Å²	126.9	82%	0.822	72%	0.718	S	S	*	*			trans	-103.4	84.2	-179.6	-68.7	-177.3	18.2	0	0	112.3
686	S	32.2	Very low	41.1	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	73%	0.729	S	S	*	*			trans	-61.2	146.9	164.4	-70.9	0	0	0	0	111.9	V684 G688	V684-S686 PolarHBondContact O-N 3.23Å; S686-G688 PolarHBondContact O-N 3.19Å
687	P	31.5	Very low	38.5	Very low	139 Å²	139	126.5 Å²	126.5	90%	0.903	74%	0.738	S	S	*	*			trans	-76.3	113.6	-171.2	30.7	-32.6	0	0	0	111
688	G	27	Very low	36.2	Very low	63 Å²	63	127.3 Å²	127.3	65%	0.649	75%	0.747	S	S	*	*			trans	-161.5	119.9	177.8	0	0	0	0	0	112.8	S686	S686-G688 PolarHBondContact O-N 3.19Å
689	S	33.2	Very low	34.4	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	77%	0.769	S	S	*	*			trans	89.3	120.8	168.2	76.6	0	0	0	0	118.5
690	P	33.1	Very low	33.1	Very low	129 Å²	129	127.2 Å²	127.2	84%	0.838	76%	0.757	S	S	*	*			trans	-92.7	120.9	165.5	33.5	-24	0	0	0	109.4
691	S	28.8	Very low	32.2	Very low	102 Å²	102	122.2 Å²	122.2	71%	0.713	74%	0.738	S	S	*	*			trans	-169.2	130.1	159.5	49.1	0	0	0	0	114.4
692	T	27.6	Very low	31.6	Very low	119 Å²	119	120.7 Å²	120.7	73%	0.73	74%	0.736	S	S	*	*			trans	75.2	103.2	146.1	8.3	0	0	0	0	120.7
693	E	26	Very low	30.7	Very low	186 Å²	186	120.8 Å²	120.8	87%	0.869	74%	0.737	S	S	*	*				28.4	112.1	124.4	-55.1	-179.3	177.7	0	0	118.4
694	A	28.1	Very low	30.4	Very low	89 Å²	89	120.2 Å²	120.2	74%	0.736	73%	0.73	S	S	*	*				156.1	124.4	125.2	0	0	0	0	0	111.3
695	D	26	Very low	30.4	Very low	167 Å²	167	119.2 Å²	119.2	89%	0.893	71%	0.713	S	S	*	*			trans	52.9	109	148.1	-60	-20.5	0	0	0	120.5
696	G	24.5	Very low	30.6	Very low	65 Å²	65	113.9 Å²	113.9	67%	0.67	71%	0.705	S	S	*	*			trans	156.7	96.1	159.4	0	0	0	0	0	114.1	T698	G696-T698 PolarHBondContact O-N 3.03Å
697	S	25.5	Very low	31.3	Very low	112 Å²	112	118.8 Å²	118.8	78%	0.783	71%	0.713	S	S	*	*			trans	-40.5	98	171.5	52.3	0	0	0	0	114.2
698	T	26.4	Very low	32.6	Very low	122 Å²	122	115.3 Å²	115.3	75%	0.748	69%	0.686	S	S	*	*			trans	-121.7	86.2	164.4	-52.4	0	0	0	0	107.4	G696 T700	G696-T698 PolarHBondContact O-N 3.03Å; T698-T700 PolarHBondContact O-N 3.32Å
699	F	26.7	Very low	34.3	Very low	190 Å²	190	119 Å²	119	83%	0.833	69%	0.687	S	S	*	*			trans	-64.2	101.9	175	-89.2	-97	0	0	0	109	P701	F699-P701 WeakPolarHBondContact O-CD 3.29Å
700	T	27.8	Very low	36.1	Very low	85 Å²	85	119.2 Å²	119.2	52%	0.521	68%	0.678	S	S	.	*			trans	-82.7	111.2	163.7	42.4	0	0	0	0	108.1	T698 S702	T698-T700 PolarHBondContact O-N 3.32Å; T700-S702 PolarHBondContact O-N 3.04Å
701	P	30.4	Very low	38.4	Very low	51 Å²	51	113.4 Å²	113.4	33%	0.331	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	41.5	-171.9	34.1	-27.1	0	0	0	110.7	Q669 F699	Q669-P701 HydrophobicContact CG-CG 3.88Å; Q669-P701 VanDerWaalsContact NE2-CB 3.34Å; F699-P701 WeakPolarHBondContact O-CD 3.29Å
702	S	36.3	Very low	41.1	Very low	86 Å²	86	112.5 Å²	112.5	60%	0.601	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.9	-9.4	-179.2	-37.6	0	0	0	0	111.9	T700	T700-S702 PolarHBondContact O-N 3.04Å
703	Q	30.6	Very low	43.8	Very low	163 Å²	163	109.8 Å²	109.8	76%	0.762	61%	0.611	S	S	*	*	S	Bend	trans	-95.7	-1.3	-172.9	-68.5	-173.5	-5.8	0	0	114.4	R705	Q703-R705 PolarHBondContact O-N 3.2Å
704	E	42.3	Very low	46.6	Very low	139 Å²	139	108.4 Å²	108.4	65%	0.65	60%	0.604	S	S	*	*	S	Bend	trans	-84.6	-2	-172.2	-66.4	-174.5	167.1	0	0	115
705	R	42.8	Very low	49.4	Very low	98 Å²	98	104.7 Å²	104.7	37%	0.37	57%	0.572	S	S	.	*	S	Bend	trans	-108.2	104	163.1	-71.4	-178.8	174.8	-141.5	-14.7	107.6	E477 Q703 K707	E477-R705 IonicContact OE1-CZ 3Å; E477-R705 VanDerWaalsContact OE1-CZ 3.29Å; E477-R705 IonicContact OE1-NH1 3.1Å; E477-R705 PolarHBondContact OE1-NH1 2.79Å; E477-R705 IonicContact OE1-NH2 2.73Å; E477-R705 PolarHBondContact OE1-NH2 2.87Å; Q703-R705 PolarHBondContact O-N 3.2Å; R705-K707 PolarHBondContact O-N 3.12Å
706	G	35.8	Very low	52.3	Low	64 Å²	64	96.7 Å²	96.7	66%	0.66	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.4	113.6	-171.3	0	0	0	0	0	113.9	I708	G706-I708 WeakPolarHBondContact O-CG1 3.3Å; G706-I708 PolarHBondContact O-N 2.76Å
707	K	46.9	Very low	55.3	Low	213 Å²	213	97.6 Å²	97.6	93%	0.926	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	27.1	166.9	-61.1	-176.9	177.7	-178.7	0	117.2	R705 E709	R705-K707 PolarHBondContact O-N 3.12Å; K707-E709 PolarHBondContact O-N 3.46Å
708	I	58.6	Low	58.2	Low	66 Å²	66	94.6 Å²	94.6	34%	0.338	49%	0.487	S	S	.	.			trans	-93.1	99	174.7	-50.7	-174.6	0	0	0	108.6	R464 A467 G706 L710	R464-I708 HydrophobicContact CB-CG2 4.27Å; R464-I708 HydrophobicContact CG-CG2 3.68Å; A467-I708 HydrophobicContact CB-CG2 4.35Å; G706-I708 WeakPolarHBondContact O-CG1 3.3Å; G706-I708 PolarHBondContact O-N 2.76Å; I708-L710 PolarHBondContact O-N 2.81Å
709	E	63.3	Low	61.2	Low	142 Å²	142	89 Å²	89	66%	0.664	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-66.6	117.7	172.4	-69.5	176.5	-178.7	0	0	110	R464 K707	R464-E709 PolarHBondContact NE-O 2.79Å; R464-E709 PolarHBondContact NH2-O 3.22Å; R464-E709 VanDerWaalsContact NH2-O 3.16Å; R464-E709 IonicContact NH2-OE2 2.72Å; K707-E709 PolarHBondContact O-N 3.46Å
710	L	71.7	Confident	64.1	Low	115 Å²	115	80.1 Å²	80.1	60%	0.602	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-62.2	136.5	175.6	-65.4	168.7	0	0	0	110	A467 I708	A467-L710 HydrophobicContact CB-CD2 4.36Å; I708-L710 PolarHBondContact O-N 2.81Å
711	I	79.8	Confident	66.9	Low	8 Å²	8	76.7 Å²	76.7	4%	0.041	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-81.8	131.9	176.3	-57.4	173.5	0	0	0	108	I461 R464 I465 S468 L715 L716	I461-I711 HydrophobicContact CD1-CD1 3.97Å; R464-I711 HydrophobicContact CB-CD1 4.1Å; R464-I711 HydrophobicContact CB-CG1 4.41Å; I465-I711 HydrophobicContact CG1-CD1 3.91Å; S468-I711 PolarHBondContact OG-N 3.28Å; I711-L715 HydrophobicContact CG2-CB 4.23Å; I711-L715 HydrophobicContact CG2-CD2 4.19Å; I711-L715 HydrophobicContact CG2-CG 4.31Å; I711-L716 HydrophobicContact CG2-CB 4.23Å
712	P	86	Confident	69.6	Low	82 Å²	82	76.1 Å²	76.1	53%	0.532	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-53.9	140.3	171.8	-25.5	34.5	0	0	0	111.7	E714 L715 L716	P712-E714 VanDerWaalsContact C-N 3.29Å; P712-E714 PolarHBondContact O-N 3.44Å; P712-L715 HydrophobicContact CB-CB 4.36Å; P712-L715 PolarHBondContact O-N 3.06Å; P712-L716 PolarHBondContact O-N 3.23Å
713	Q	84.6	Confident	72.1	Confident	63 Å²	63	72 Å²	72	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-34.8	-174.1	-67.2	-66.4	-31.4	0	0	112.8	S468 Y523 L716 K717	S468-Q713 PolarHBondContact O-NE2 3.06Å; Y523-Q713 PolarHBondContact OH-NE2 3.39Å; Y523-Q713 PolarHBondContact OH-OE1 3.33Å; Q713-L716 PolarHBondContact O-N 3.3Å; Q713-K717 WeakPolarHBondContact O-CG 3.48Å; Q713-K717 PolarHBondContact O-N 3.25Å; Q713-K717 VanDerWaalsContact O-N 3.08Å
714	E	84	Confident	74.7	Confident	156 Å²	156	66.8 Å²	66.8	73%	0.729	33%	0.329	S	S	*	.	H	α-helix	trans	-64.4	-47	176.9	-64.6	-175.1	173.3	0	0	111.6	P712 L716 K717 K718	P712-E714 VanDerWaalsContact C-N 3.29Å; P712-E714 PolarHBondContact O-N 3.44Å; E714-L716 VanDerWaalsContact C-N 3.33Å; E714-L716 PolarHBondContact O-N 3.37Å; E714-K717 PolarHBondContact O-N 3.19Å; E714-K718 PolarHBondContact O-N 3.15Å; E714-K718 VanDerWaalsContact O-N 3.09Å
715	L	86.7	Confident	76.7	Confident	11 Å²	11	64.3 Å²	64.3	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-38.4	177.4	-172.5	62.7	0	0	0	111.5	E451 I452 L455 I711 P712 K717 K718 Y719	E451-L715 HydrophobicContact CG-CD1 4.32Å; E451-L715 HydrophobicContact CG-CD2 4.02Å; E451-L715 WeakPolarHBondContact OE1-CD2 3.36Å; I452-L715 HydrophobicContact CG1-CD1 4.17Å; L455-L715 HydrophobicContact CD1-CD2 3.43Å; L455-L715 VanDerWaalsContact CD1-CD2 3.43Å; L455-L715 HydrophobicContact CD1-CG 4.21Å; I711-L715 HydrophobicContact CG2-CB 4.23Å; I711-L715 HydrophobicContact CG2-CD2 4.19Å; I711-L715 HydrophobicContact CG2-CG 4.31Å; P712-L715 HydrophobicContact CB-CB 4.36Å; P712-L715 PolarHBondContact O-N 3.06Å; L715-K717 PolarHBondContact O-N 3.16Å; L715-K718 PolarHBondContact O-N 3.14Å; L715-Y719 VanDerWaalsContact O-CB 3.28Å; L715-Y719 WeakPolarHBondContact O-CB 3.33Å; L715-Y719 PolarHBondContact O-N 3.22Å
716	L	87.6	Confident	78.8	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-41.8	175.2	-178.6	65.6	0	0	0	112	I465 I469 I711 P712 Q713 E714 Y719 I720	I465-L716 HydrophobicContact CG1-CD1 4.34Å; I465-L716 HydrophobicContact CG2-CD1 4.04Å; I469-L716 HydrophobicContact CG1-CD2 4.35Å; I711-L716 HydrophobicContact CG2-CB 4.23Å; P712-L716 PolarHBondContact O-N 3.23Å; Q713-L716 PolarHBondContact O-N 3.3Å; E714-L716 VanDerWaalsContact C-N 3.33Å; E714-L716 PolarHBondContact O-N 3.37Å; L716-Y719 WeakPolarHBondContact O-CB 3.43Å; L716-Y719 PolarHBondContact O-N 2.99Å; L716-I720 HydrophobicContact CD1-CD1 4.25Å; L716-I720 HydrophobicContact CD1-CG1 4.46Å; L716-I720 HydrophobicContact CG-CD1 4.06Å; L716-I720 WeakPolarHBondContact O-CG1 3.37Å; L716-I720 PolarHBondContact O-N 3.25Å
717	K	87.3	Confident	81.3	Confident	84 Å²	84	61.4 Å²	61.4	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-45	176.3	-69.5	-175.9	-162.7	-165.6	0	111.7	S526 T527 Q713 E714 L715 Y719 I720 T721	S526-K717 VanDerWaalsContact O-CE 3.3Å; S526-K717 WeakPolarHBondContact O-CE 3.47Å; S526-K717 PolarHBondContact O-NZ 2.87Å; T527-K717 HydrophobicContact CG2-CG 4.09Å; Q713-K717 WeakPolarHBondContact O-CG 3.48Å; Q713-K717 PolarHBondContact O-N 3.25Å; Q713-K717 VanDerWaalsContact O-N 3.08Å; E714-K717 PolarHBondContact O-N 3.19Å; L715-K717 PolarHBondContact O-N 3.16Å; K717-Y719 VanDerWaalsContact C-N 3.32Å; K717-Y719 PolarHBondContact O-N 3Å; K717-I720 PolarHBondContact O-N 2.94Å; K717-T721 WeakPolarHBondContact O-CB 3.42Å; K717-T721 PolarHBondContact O-N 2.79Å; K717-T721 VanDerWaalsContact O-N 3.08Å; K717-T721 PolarHBondContact O-OG1 2.76Å
718	K	86.7	Confident	83.3	Confident	48 Å²	48	56.2 Å²	56.2	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-43.2	174.8	-66.8	-176.3	-174.2	-174.9	0	111.1	S443 L444 D448 I452 E714 L715 T721 Y722	S443-K718 PolarHBondContact O-NZ 2.96Å; L444-K718 HydrophobicContact CD1-CB 4.42Å; D448-K718 HydrophobicContact CB-CD 4.26Å; D448-K718 IonicContact OD1-NZ 3.68Å; D448-K718 PolarHBondContact OD1-NZ 2.77Å; D448-K718 IonicContact OD2-NZ 3.98Å; D448-K718 PolarHBondContact OD2-NZ 3.46Å; I452-K718 HydrophobicContact CD1-CB 4.27Å; E714-K718 PolarHBondContact O-N 3.15Å; E714-K718 VanDerWaalsContact O-N 3.09Å; L715-K718 PolarHBondContact O-N 3.14Å; K718-T721 PolarHBondContact O-N 2.93Å; K718-Y722 WeakPolarHBondContact O-CB 3.13Å; K718-Y722 PolarHBondContact O-N 3.05Å
719	Y	89.4	Confident	84.8	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-49	177.8	-172	-85.6	0	0	0	112.5	I452 I465 L715 L716 K717 T721 Y722 A723 L776 L778	I452-Y719 HydrophobicContact CB-CD2 4.28Å; I452-Y719 HydrophobicContact CG1-CD2 4.14Å; I452-Y719 HydrophobicContact CG2-CD2 3.67Å; I452-Y719 HydrophobicContact CG2-CE2 3.89Å; I465-Y719 HydrophobicContact CD1-CD1 4.16Å; I465-Y719 HydrophobicContact CD1-CE1 3.63Å; L715-Y719 VanDerWaalsContact O-CB 3.28Å; L715-Y719 WeakPolarHBondContact O-CB 3.33Å; L715-Y719 PolarHBondContact O-N 3.22Å; L716-Y719 WeakPolarHBondContact O-CB 3.43Å; L716-Y719 PolarHBondContact O-N 2.99Å; K717-Y719 VanDerWaalsContact C-N 3.32Å; K717-Y719 PolarHBondContact O-N 3Å; Y719-T721 VanDerWaalsContact C-N 3.3Å; Y719-T721 PolarHBondContact O-N 3.36Å; Y719-Y722 PolarHBondContact O-N 2.69Å; Y719-A723 VanDerWaalsContact O-CB 3.29Å; Y719-A723 WeakPolarHBondContact O-CB 3.13Å; Y719-A723 PolarHBondContact O-N 3.16Å; Y719-L776 PolarHBondContact OH-O 2.99Å; Y719-L778 HydrophobicContact CE1-CD2 4.35Å; Y719-L778 HydrophobicContact CE2-CD1 4.04Å; Y719-L778 HydrophobicContact CE2-CD2 4.37Å; Y719-L778 HydrophobicContact CE2-CG 4.28Å
720	I	88.6	Confident	85.9	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-41.7	178.6	-67.7	165.2	0	0	0	110.4	L487 V488 T527 L716 K717 A723 R724	L487-I720 HydrophobicContact CB-CD1 4.45Å; L487-I720 HydrophobicContact CB-CG2 4.34Å; L487-I720 HydrophobicContact CD1-CD1 4.17Å; V488-I720 HydrophobicContact CG2-CG2 4.42Å; T527-I720 HydrophobicContact CG2-CD1 4.06Å; L716-I720 HydrophobicContact CD1-CD1 4.25Å; L716-I720 HydrophobicContact CD1-CG1 4.46Å; L716-I720 HydrophobicContact CG-CD1 4.06Å; L716-I720 WeakPolarHBondContact O-CG1 3.37Å; L716-I720 PolarHBondContact O-N 3.25Å; K717-I720 PolarHBondContact O-N 2.94Å; I720-A723 PolarHBondContact O-N 3.42Å; I720-R724 WeakPolarHBondContact O-CB 3.32Å; I720-R724 PolarHBondContact O-N 3.26Å
721	T	85.3	Confident	86.5	Confident	13 Å²	13	47 Å²	47	8%	0.08	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-47.8	179.1	-53.2	0	0	0	0	111	A440 K717 K718 Y719 A723 R724 E725	A440-T721 HydrophobicContact CB-CG2 3.53Å; K717-T721 WeakPolarHBondContact O-CB 3.42Å; K717-T721 PolarHBondContact O-N 2.79Å; K717-T721 VanDerWaalsContact O-N 3.08Å; K717-T721 PolarHBondContact O-OG1 2.76Å; K718-T721 PolarHBondContact O-N 2.93Å; Y719-T721 VanDerWaalsContact C-N 3.3Å; Y719-T721 PolarHBondContact O-N 3.36Å; T721-A723 PolarHBondContact O-N 3.23Å; T721-R724 PolarHBondContact O-N 2.83Å; T721-E725 PolarHBondContact O-N 3.42Å; T721-E725 VanDerWaalsContact O-N 3.14Å
722	Y	88.2	Confident	86.3	Confident	39 Å²	39	50.2 Å²	50.2	15%	0.153	27%	0.269	C	S	.	.	H	α-helix	trans	-57.6	-48.3	175	-175.3	-96.5	0	0	0	112.6	L444 V449 I452 K718 Y719 R724 E725 N726 L778	L444-Y722 HydrophobicContact CD2-CD2 3.41Å; L444-Y722 VanDerWaalsContact CD2-CD2 3.41Å; L444-Y722 HydrophobicContact CD2-CE2 4.31Å; L444-Y722 HydrophobicContact CD2-CG 4.14Å; V449-Y722 HydrophobicContact CG1-CE2 4.08Å; V449-Y722 HydrophobicContact CG2-CE2 4.29Å; I452-Y722 HydrophobicContact CD1-CG 4.45Å; I452-Y722 HydrophobicContact CG2-CD1 3.84Å; I452-Y722 HydrophobicContact CG2-CE1 4.23Å; I452-Y722 HydrophobicContact CG2-CG 4.31Å; K718-Y722 WeakPolarHBondContact O-CB 3.13Å; K718-Y722 PolarHBondContact O-N 3.05Å; Y719-Y722 PolarHBondContact O-N 2.69Å; Y722-R724 PolarHBondContact O-N 2.87Å; Y722-E725 PolarHBondContact O-N 3.44Å; Y722-N726 WeakPolarHBondContact CD2-ND2 3.24Å; Y722-N726 HydrophobicContact CE2-CB 4.46Å; Y722-N726 WeakPolarHBondContact CE2-ND2 3.48Å; Y722-N726 PolarHBondContact O-N 3.44Å; Y722-N726 VanDerWaalsContact O-N 3.09Å; Y722-L778 HydrophobicContact CD1-CD1 4.16Å; Y722-L778 HydrophobicContact CD1-CD2 3.99Å; Y722-L778 HydrophobicContact CE1-CD1 4.02Å; Y722-L778 HydrophobicContact CE1-CD2 4.35Å
723	A	88.8	Confident	85.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-31.9	-179.4	0	0	0	0	0	112.4	V488 Y719 I720 T721 L778	V488-A723 HydrophobicContact CG1-CB 4.38Å; Y719-A723 VanDerWaalsContact O-CB 3.29Å; Y719-A723 WeakPolarHBondContact O-CB 3.13Å; Y719-A723 PolarHBondContact O-N 3.16Å; I720-A723 PolarHBondContact O-N 3.42Å; T721-A723 PolarHBondContact O-N 3.23Å; A723-L778 HydrophobicContact CB-CD2 3.64Å
724	R	85.1	Confident	85	Confident	54 Å²	54	51.2 Å²	51.2	20%	0.204	27%	0.269	C	S	.	.	H	α-helix	trans	-78.7	-38.3	-178.6	-169.5	173.2	-174.4	-161.8	0.3	113	K569 I720 T721 Y722	K569-R724 VanDerWaalsContact C-NH2 3.34Å; K569-R724 PolarHBondContact O-NH1 3.11Å; K569-R724 PolarHBondContact O-NH2 2.87Å; I720-R724 WeakPolarHBondContact O-CB 3.32Å; I720-R724 PolarHBondContact O-N 3.26Å; T721-R724 PolarHBondContact O-N 2.83Å; Y722-R724 PolarHBondContact O-N 2.87Å
725	E	84.3	Confident	84.7	Confident	87 Å²	87	46.7 Å²	46.7	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-86.1	-41.3	-174.8	-67	-163.6	151.8	0	0	113.9	A440 T721 Y722 H728	A440-E725 WeakPolarHBondContact CB-OE1 3.49Å; A440-E725 VanDerWaalsContact CB-OE2 3.25Å; A440-E725 WeakPolarHBondContact CB-OE2 3.28Å; T721-E725 PolarHBondContact O-N 3.42Å; T721-E725 VanDerWaalsContact O-N 3.14Å; Y722-E725 PolarHBondContact O-N 3.44Å; E725-H728 PolarHBondContact O-NE2 2.87Å
726	N	85.9	Confident	84.7	Confident	91 Å²	91	53.4 Å²	53.4	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-93.7	-14.5	-168.4	-68.9	-34.4	0	0	0	114	Y722	Y722-N726 WeakPolarHBondContact CD2-ND2 3.24Å; Y722-N726 HydrophobicContact CE2-CB 4.46Å; Y722-N726 WeakPolarHBondContact CE2-ND2 3.48Å; Y722-N726 PolarHBondContact O-N 3.44Å; Y722-N726 VanDerWaalsContact O-N 3.09Å
727	I	88.6	Confident	84.7	Confident	9 Å²	9	59 Å²	59	5%	0.046	31%	0.31	C	S	.	.			trans	-118.7	116.6	-165.2	-54.1	-171.2	0	0	0	110.7	K775 L778	I727-K775 HydrophobicContact CB-CG 4.5Å; I727-K775 HydrophobicContact CG2-CG 4.22Å; I727-K775 WeakPolarHBondContact O-CE 3.45Å; I727-L778 HydrophobicContact CD1-CB 3.33Å; I727-L778 HydrophobicContact CD1-CD2 3.29Å; I727-L778 HydrophobicContact CD1-CG 3.81Å
728	H	88.3	Confident	84.6	Confident	104 Å²	104	59.2 Å²	59.2	48%	0.481	31%	0.311	S	S	.	.			trans	-120.8	93.5	179.1	-57.2	-63.4	0	0	0	108.8	E491 E725	E491-H728 IonicContact OE1-CE1 3.91Å; E491-H728 IonicContact OE1-CG 3.74Å; E491-H728 IonicContact OE1-ND1 3.48Å; E491-H728 PolarHBondContact OE1-ND1 3.08Å; E491-H728 IonicContact OE2-CE1 3.04Å; E491-H728 IonicContact OE2-CG 2.95Å; E491-H728 IonicContact OE2-ND1 3.82Å; E491-H728 PolarHBondContact OE2-ND1 3.39Å; E725-H728 PolarHBondContact O-NE2 2.87Å
729	P	90.3	Very high	84.7	Confident	7 Å²	7	57.4 Å²	57.4	5%	0.045	30%	0.304	C	S	.	.			trans	-71.1	135.8	-173.9	28.2	-34.7	0	0	0	112.2	E771 A774 K775 N780 V782	P729-E771 HydrophobicContact CG-CB 3.84Å; P729-E771 HydrophobicContact CG-CG 4.03Å; P729-A774 HydrophobicContact CB-CB 3.92Å; P729-A774 HydrophobicContact CG-CB 4.48Å; P729-K775 VanDerWaalsContact CD-CE 3.49Å; P729-K775 HydrophobicContact CG-CG 4.06Å; P729-N780 WeakPolarHBondContact CA-O 3.46Å; P729-V782 HydrophobicContact CB-CG2 4.4Å
730	S	86.9	Confident	84.6	Confident	65 Å²	65	60 Å²	60	46%	0.455	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-90.3	142.6	174	63.4	0	0	0	0	112	G732 N780 Y781 V782	S730-G732 VanDerWaalsContact C-N 3.34Å; S730-G732 PolarHBondContact O-N 3.14Å; S730-N780 PolarHBondContact N-O 3.28Å; S730-N780 PolarHBondContact OG-O 3.45Å; S730-Y781 WeakPolarHBondContact O-CA 3.45Å; S730-V782 PolarHBondContact O-N 3.26Å; S730-V782 VanDerWaalsContact O-N 3.13Å
731	L	84.8	Confident	84.7	Confident	59 Å²	59	65.9 Å²	65.9	31%	0.309	35%	0.351	S	S	.	.			trans	-91	18.5	-179.2	-63.5	-177.3	0	0	0	114.1	K493 Q733 V734 I767 E771 V782	K493-L731 VanDerWaalsContact NZ-CG 3.35Å; L731-Q733 PolarHBondContact O-N 3.01Å; L731-Q733 VanDerWaalsContact O-N 3.08Å; L731-V734 HydrophobicContact CB-CG2 4.02Å; L731-V734 HydrophobicContact CD2-CG2 3.93Å; L731-V734 WeakPolarHBondContact O-CG2 3.38Å; L731-V734 PolarHBondContact O-N 2.73Å; L731-I767 HydrophobicContact CD1-CG2 3.75Å; L731-I767 HydrophobicContact CD2-CG2 4.19Å; L731-E771 HydrophobicContact CD2-CG 4Å; L731-V782 HydrophobicContact CD2-CB 4.46Å; L731-V782 HydrophobicContact CD2-CG2 3.75Å
732	G	74.7	Confident	84.7	Confident	74 Å²	74	65.2 Å²	65.2	76%	0.763	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.9	-166.2	0	0	0	0	0	115.9	S730	S730-G732 VanDerWaalsContact C-N 3.34Å; S730-G732 PolarHBondContact O-N 3.14Å
733	Q	69.1	Low	84.7	Confident	141 Å²	141	65.5 Å²	65.5	66%	0.659	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	18.8	-172.9	-62.8	178.1	4	0	0	113.5	L731 D735	L731-Q733 PolarHBondContact O-N 3.01Å; L731-Q733 VanDerWaalsContact O-N 3.08Å; Q733-D735 PolarHBondContact O-N 3.23Å
734	V	74.2	Confident	84.7	Confident	26 Å²	26	67.7 Å²	67.7	16%	0.158	37%	0.366	C	S	.	.			trans	-69.5	126.8	-179.3	178.3	0	0	0	0	110.1	L731 Q736 I739 V782 V787	L731-V734 HydrophobicContact CB-CG2 4.02Å; L731-V734 HydrophobicContact CD2-CG2 3.93Å; L731-V734 WeakPolarHBondContact O-CG2 3.38Å; L731-V734 PolarHBondContact O-N 2.73Å; V734-Q736 PolarHBondContact O-N 2.75Å; V734-I739 HydrophobicContact CG1-CD1 3.62Å; V734-V782 HydrophobicContact CG2-CB 4.14Å; V734-V782 HydrophobicContact CG2-CG1 4.03Å; V734-V787 HydrophobicContact CG1-CG2 4.13Å
735	D	79.2	Confident	84.8	Confident	60 Å²	60	67.4 Å²	67.4	32%	0.321	37%	0.369	S	S	.	.			trans	-67.9	79.7	172.4	-71.7	-38.8	0	0	0	110.9	Q733 D737 K738 I739	Q733-D735 PolarHBondContact O-N 3.23Å; D735-D737 PolarHBondContact O-N 3.42Å; D735-K738 HydrophobicContact CB-CB 4.01Å; D735-K738 HydrophobicContact CB-CD 3.71Å; D735-K738 HydrophobicContact CB-CG 3.85Å; D735-K738 PolarHBondContact O-N 3.24Å; D735-K738 WeakPolarHBondContact OD2-CD 3.5Å; D735-K738 WeakPolarHBondContact OD2-CE 3.21Å; D735-K738 IonicContact OD2-NZ 2.76Å; D735-K738 PolarHBondContact OD2-NZ 3.5Å; D735-I739 PolarHBondContact O-N 2.86Å
736	Q	84.9	Confident	84.8	Confident	153 Å²	153	63.6 Å²	63.6	72%	0.715	35%	0.351	S	S	*	.	H	α-helix	trans	-54.3	-38.5	-178.9	-62.8	178.8	5.6	0	0	111.8	V734 K738 I739 A740	V734-Q736 PolarHBondContact O-N 2.75Å; Q736-K738 VanDerWaalsContact C-N 3.3Å; Q736-K738 PolarHBondContact O-N 3.06Å; Q736-I739 PolarHBondContact O-N 3.48Å; Q736-A740 WeakPolarHBondContact O-CB 3.33Å; Q736-A740 PolarHBondContact O-N 3.49Å
737	D	87.5	Confident	84.8	Confident	116 Å²	116	65 Å²	65	62%	0.62	35%	0.35	S	S	*	.	H	α-helix	trans	-62.7	-34.5	178.5	-70.6	-17.2	0	0	0	113.1	D735 K741	D735-D737 PolarHBondContact O-N 3.42Å; D737-K741 WeakPolarHBondContact O-CB 3.46Å; D737-K741 WeakPolarHBondContact O-CD 3.37Å; D737-K741 WeakPolarHBondContact O-CG 3.49Å; D737-K741 PolarHBondContact O-N 3.42Å
738	K	85.8	Confident	84.7	Confident	89 Å²	89	71.9 Å²	71.9	39%	0.387	38%	0.375	S	S	.	.	H	α-helix	trans	-70.2	-43.4	179.1	-73.2	-177.9	-174	162.2	0	110.7	D735 Q736 K741 L742	D735-K738 HydrophobicContact CB-CB 4.01Å; D735-K738 HydrophobicContact CB-CD 3.71Å; D735-K738 HydrophobicContact CB-CG 3.85Å; D735-K738 PolarHBondContact O-N 3.24Å; D735-K738 WeakPolarHBondContact OD2-CD 3.5Å; D735-K738 WeakPolarHBondContact OD2-CE 3.21Å; D735-K738 IonicContact OD2-NZ 2.76Å; D735-K738 PolarHBondContact OD2-NZ 3.5Å; Q736-K738 VanDerWaalsContact C-N 3.3Å; Q736-K738 PolarHBondContact O-N 3.06Å; K738-K741 PolarHBondContact O-N 2.83Å; K738-L742 WeakPolarHBondContact O-CB 3.26Å; K738-L742 PolarHBondContact O-N 3.45Å
739	I	88.2	Confident	84.4	Confident	11 Å²	11	68.7 Å²	68.7	6%	0.056	36%	0.361	C	S	.	.	H	α-helix	trans	-65.7	-43	177.7	-59.7	177	0	0	0	110	V734 D735 Q736 K741 L742 Y743 V763 I766 V787	V734-I739 HydrophobicContact CG1-CD1 3.62Å; D735-I739 PolarHBondContact O-N 2.86Å; Q736-I739 PolarHBondContact O-N 3.48Å; I739-K741 PolarHBondContact O-N 3.2Å; I739-L742 PolarHBondContact O-N 3.35Å; I739-Y743 WeakPolarHBondContact O-CB 3.17Å; I739-Y743 PolarHBondContact O-N 3.12Å; I739-V763 HydrophobicContact CG2-CG1 3.81Å; I739-I766 HydrophobicContact CD1-CG2 4.33Å; I739-V787 HydrophobicContact CD1-CG1 4.19Å; I739-V787 HydrophobicContact CG1-CG1 4.07Å
740	A	89.1	Confident	84	Confident	58 Å²	58	68.4 Å²	68.4	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-43.2	177.6	0	0	0	0	0	112.5	Q736 Y743 A744	Q736-A740 WeakPolarHBondContact O-CB 3.33Å; Q736-A740 PolarHBondContact O-N 3.49Å; A740-Y743 PolarHBondContact O-N 3.47Å; A740-A744 WeakPolarHBondContact O-CB 3.3Å; A740-A744 PolarHBondContact O-N 3.49Å
741	K	88.9	Confident	83.7	Confident	127 Å²	127	70.3 Å²	70.3	55%	0.552	36%	0.364	S	S	*	.	H	α-helix	trans	-61.9	-46.1	174.8	-75	167.1	-173.1	168.3	0	111.5	D737 K738 I739 Y743 A744 D745	D737-K741 WeakPolarHBondContact O-CB 3.46Å; D737-K741 WeakPolarHBondContact O-CD 3.37Å; D737-K741 WeakPolarHBondContact O-CG 3.49Å; D737-K741 PolarHBondContact O-N 3.42Å; K738-K741 PolarHBondContact O-N 2.83Å; I739-K741 PolarHBondContact O-N 3.2Å; K741-Y743 PolarHBondContact O-N 3.3Å; K741-A744 PolarHBondContact O-N 3.29Å; K741-D745 WeakPolarHBondContact O-CB 3.32Å; K741-D745 PolarHBondContact O-N 3.01Å
742	L	86.6	Confident	83.5	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-59.7	-48.3	176.9	177.1	68.9	0	0	0	111.4	K738 I739 A744 D745 M746 I766 M791 L795 F814	K738-L742 WeakPolarHBondContact O-CB 3.26Å; K738-L742 PolarHBondContact O-N 3.45Å; I739-L742 PolarHBondContact O-N 3.35Å; L742-A744 VanDerWaalsContact C-N 3.33Å; L742-A744 PolarHBondContact O-N 3.02Å; L742-D745 PolarHBondContact O-N 3.11Å; L742-M746 HydrophobicContact CD1-CG 3.95Å; L742-M746 HydrophobicContact CD1-SD 4.09Å; L742-M746 HydrophobicContact CD2-SD 4.13Å; L742-M746 HydrophobicContact CG-CG 4.13Å; L742-M746 HydrophobicContact CG-SD 3.84Å; L742-M746 WeakPolarHBondContact O-CB 3.32Å; L742-M746 VanDerWaalsContact O-CG 3.28Å; L742-M746 WeakPolarHBondContact O-CG 3.3Å; L742-M746 PolarHBondContact O-N 3.08Å; L742-I766 HydrophobicContact CD2-CD1 4.15Å; L742-M791 HydrophobicContact CB-CE 3.5Å; L742-M791 VanDerWaalsContact CB-CE 3.5Å; L742-M791 HydrophobicContact CD1-CE 4.28Å; L742-M791 HydrophobicContact CD2-CB 3.93Å; L742-M791 HydrophobicContact CD2-CE 3.41Å; L742-M791 VanDerWaalsContact CD2-CE 3.41Å; L742-M791 HydrophobicContact CD2-CG 3.71Å; L742-M791 HydrophobicContact CD2-SD 4.41Å; L742-M791 HydrophobicContact CG-CE 3.88Å; L742-L795 HydrophobicContact CD1-CD1 3.84Å; L742-L795 HydrophobicContact CD1-CD2 4.03Å; L742-L795 HydrophobicContact CD1-CG 4.17Å; L742-F814 HydrophobicContact CD1-CD1 4.29Å; L742-F814 HydrophobicContact CD1-CE1 4.13Å
743	Y	88.3	Confident	83.3	Confident	45 Å²	45	69.5 Å²	69.5	18%	0.176	36%	0.355	C	S	.	.	H	α-helix	trans	-59.1	-44.3	178.7	176.5	-100.6	0	0	0	111.8	I739 A740 K741 D745 M746 R747 I758 V763	I739-Y743 WeakPolarHBondContact O-CB 3.17Å; I739-Y743 PolarHBondContact O-N 3.12Å; A740-Y743 PolarHBondContact O-N 3.47Å; K741-Y743 PolarHBondContact O-N 3.3Å; Y743-D745 PolarHBondContact O-N 2.97Å; Y743-M746 PolarHBondContact O-N 2.93Å; Y743-R747 VanDerWaalsContact O-CB 3.28Å; Y743-R747 WeakPolarHBondContact O-CB 3.38Å; Y743-R747 PolarHBondContact O-N 3.27Å; Y743-R747 PolarHBondContact OH-NH1 3.37Å; Y743-R747 VanDerWaalsContact OH-NH1 3.1Å; Y743-I758 HydrophobicContact CD2-CG2 4Å; Y743-I758 HydrophobicContact CE2-CG2 3.62Å; Y743-I758 PolarHBondContact OH-O 3.18Å; Y743-V763 HydrophobicContact CD2-CG2 3.32Å; Y743-V763 HydrophobicContact CE2-CG2 3.91Å; Y743-V763 HydrophobicContact CG-CG2 3.78Å
744	A	87.9	Confident	83.1	Confident	45 Å²	45	68.3 Å²	68.3	37%	0.372	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-42.4	177.5	0	0	0	0	0	112.4	A740 K741 L742 R748	A740-A744 WeakPolarHBondContact O-CB 3.3Å; A740-A744 PolarHBondContact O-N 3.49Å; K741-A744 PolarHBondContact O-N 3.29Å; L742-A744 VanDerWaalsContact C-N 3.33Å; L742-A744 PolarHBondContact O-N 3.02Å; A744-R748 WeakPolarHBondContact O-CB 3.35Å; A744-R748 PolarHBondContact O-N 3.21Å
745	D	86.9	Confident	82.8	Confident	48 Å²	48	68 Å²	68	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-70.6	-43.2	178.8	-70.9	-23.6	0	0	0	111.6	K741 L742 Y743 R747 R748 E749 F814	K741-D745 WeakPolarHBondContact O-CB 3.32Å; K741-D745 PolarHBondContact O-N 3.01Å; L742-D745 PolarHBondContact O-N 3.11Å; Y743-D745 PolarHBondContact O-N 2.97Å; D745-R747 VanDerWaalsContact C-N 3.33Å; D745-R747 PolarHBondContact O-N 3.41Å; D745-R748 PolarHBondContact O-N 2.76Å; D745-R748 IonicContact OD1-CZ 3.94Å; D745-R748 IonicContact OD1-NH1 3.56Å; D745-R748 PolarHBondContact OD1-NH1 2.86Å; D745-E749 WeakPolarHBondContact O-CG 3.47Å; D745-E749 PolarHBondContact O-N 2.98Å; D745-F814 HydrophobicContact CB-CE1 4.1Å; D745-F814 HydrophobicContact CB-CZ 4.4Å
746	M	84.1	Confident	82.4	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.039	36%	0.358	C	S	.	.	H	α-helix	trans	-60.5	-43.9	175.5	-70.7	-179.6	68	0	0	111.1	L742 Y743 E749 S750 I758 L795 F798 F814	L742-M746 HydrophobicContact CD1-CG 3.95Å; L742-M746 HydrophobicContact CD1-SD 4.09Å; L742-M746 HydrophobicContact CD2-SD 4.13Å; L742-M746 HydrophobicContact CG-CG 4.13Å; L742-M746 HydrophobicContact CG-SD 3.84Å; L742-M746 WeakPolarHBondContact O-CB 3.32Å; L742-M746 VanDerWaalsContact O-CG 3.28Å; L742-M746 WeakPolarHBondContact O-CG 3.3Å; L742-M746 PolarHBondContact O-N 3.08Å; Y743-M746 PolarHBondContact O-N 2.93Å; M746-E749 PolarHBondContact O-N 3.21Å; M746-S750 VanDerWaalsContact O-CB 3.26Å; M746-S750 WeakPolarHBondContact O-CB 3.4Å; M746-S750 PolarHBondContact O-N 3.45Å; M746-S750 PolarHBondContact O-OG 2.87Å; M746-I758 HydrophobicContact CB-CD1 3.48Å; M746-I758 VanDerWaalsContact CB-CD1 3.48Å; M746-I758 HydrophobicContact CE-CD1 3.95Å; M746-I758 WeakPolarHBondContact O-CD1 3.32Å; M746-L795 HydrophobicContact CE-CD2 4.1Å; M746-L795 HydrophobicContact CG-CD2 3.91Å; M746-L795 HydrophobicContact SD-CD2 3.74Å; M746-F798 HydrophobicContact CE-CB 4.15Å; M746-F798 HydrophobicContact CE-CD1 4.04Å; M746-F798 HydrophobicContact CE-CD2 4.5Å; M746-F798 HydrophobicContact CE-CG 3.98Å; M746-F814 HydrophobicContact CG-CE1 4.29Å; M746-F814 HydrophobicContact CG-CZ 4.06Å
747	R	87	Confident	81.6	Confident	120 Å²	120	62.5 Å²	62.5	45%	0.453	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-45.3	178.2	-174.6	169.8	-178.6	156.9	-1.2	111.6	Y743 D745 E749 S750 D751	Y743-R747 VanDerWaalsContact O-CB 3.28Å; Y743-R747 WeakPolarHBondContact O-CB 3.38Å; Y743-R747 PolarHBondContact O-N 3.27Å; Y743-R747 PolarHBondContact OH-NH1 3.37Å; Y743-R747 VanDerWaalsContact OH-NH1 3.1Å; D745-R747 VanDerWaalsContact C-N 3.33Å; D745-R747 PolarHBondContact O-N 3.41Å; R747-E749 PolarHBondContact O-N 3.26Å; R747-S750 PolarHBondContact O-N 3.1Å; R747-D751 WeakPolarHBondContact O-CB 3.38Å; R747-D751 VanDerWaalsContact O-CG 3.26Å; R747-D751 PolarHBondContact O-N 2.68Å
748	R	86.9	Confident	81.4	Confident	153 Å²	153	57.5 Å²	57.5	58%	0.577	32%	0.315	S	S	*	.	H	α-helix	trans	-58.4	-46.4	177.6	-171.5	-172.4	-63	128.6	4.6	112.2	A744 D745 A752	A744-R748 WeakPolarHBondContact O-CB 3.35Å; A744-R748 PolarHBondContact O-N 3.21Å; D745-R748 PolarHBondContact O-N 2.76Å; D745-R748 IonicContact OD1-CZ 3.94Å; D745-R748 IonicContact OD1-NH1 3.56Å; D745-R748 PolarHBondContact OD1-NH1 2.86Å; R748-A752 PolarHBondContact O-N 3.04Å
749	E	82	Confident	81.3	Confident	38 Å²	38	55.2 Å²	55.2	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-71	-32.4	180	-67.4	-65.4	143.4	0	0	112.5	D745 M746 R747 T753 Q809 M810 F814	D745-E749 WeakPolarHBondContact O-CG 3.47Å; D745-E749 PolarHBondContact O-N 2.98Å; M746-E749 PolarHBondContact O-N 3.21Å; R747-E749 PolarHBondContact O-N 3.26Å; E749-T753 PolarHBondContact O-OG1 3.4Å; E749-Q809 PolarHBondContact OE2-NE2 3.25Å; E749-M810 HydrophobicContact CB-CE 4.11Å; E749-F814 HydrophobicContact CG-CE2 4.3Å; E749-F814 HydrophobicContact CG-CZ 4.23Å
750	S	80.4	Confident	81.3	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.007	33%	0.333	C	S	.	.	H	α-helix	trans	-73.8	-44.1	-179.8	-58.9	0	0	0	0	112.2	M746 R747 A752 T753 S754 S755 I758 F798	M746-S750 VanDerWaalsContact O-CB 3.26Å; M746-S750 WeakPolarHBondContact O-CB 3.4Å; M746-S750 PolarHBondContact O-N 3.45Å; M746-S750 PolarHBondContact O-OG 2.87Å; R747-S750 PolarHBondContact O-N 3.1Å; S750-A752 VanDerWaalsContact C-N 3.26Å; S750-A752 PolarHBondContact O-N 3Å; S750-T753 PolarHBondContact O-N 3.3Å; S750-S754 PolarHBondContact O-N 3.41Å; S750-S755 VanDerWaalsContact CA-OG 3.24Å; S750-S755 WeakPolarHBondContact CA-OG 3.32Å; S750-S755 VanDerWaalsContact CB-OG 3.28Å; S750-S755 WeakPolarHBondContact CB-OG 3.47Å; S750-S755 PolarHBondContact O-N 2.92Å; S750-S755 PolarHBondContact O-OG 3.41Å; S750-I758 WeakPolarHBondContact OG-CD1 3.24Å; S750-F798 WeakPolarHBondContact OG-CE1 3.48Å; S750-F798 WeakPolarHBondContact OG-CZ 3.34Å
751	D	82.2	Confident	81.1	Confident	105 Å²	105	59.6 Å²	59.6	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-61.4	-37.8	176.4	-70.2	-16.4	0	0	0	110.8	R747 T753	R747-D751 WeakPolarHBondContact O-CB 3.38Å; R747-D751 VanDerWaalsContact O-CG 3.26Å; R747-D751 PolarHBondContact O-N 2.68Å; D751-T753 PolarHBondContact O-N 3.16Å
752	A	80	Confident	81	Confident	80 Å²	80	54.5 Å²	54.5	66%	0.661	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.7	175.6	0	0	0	0	0	113.4	R748 S750	R748-A752 PolarHBondContact O-N 3.04Å; S750-A752 VanDerWaalsContact C-N 3.26Å; S750-A752 PolarHBondContact O-N 3Å
753	T	71.1	Confident	81.2	Confident	36 Å²	36	56 Å²	56	22%	0.221	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-0.3	-167	-49	0	0	0	0	113.9	E749 S750 D751 S755 V806	E749-T753 PolarHBondContact O-OG1 3.4Å; S750-T753 PolarHBondContact O-N 3.3Å; D751-T753 PolarHBondContact O-N 3.16Å; T753-S755 PolarHBondContact O-N 3.04Å; T753-V806 HydrophobicContact CG2-CB 3.79Å; T753-V806 HydrophobicContact CG2-CG1 3.36Å; T753-V806 HydrophobicContact CG2-CG2 3.1Å
754	S	64.6	Low	81.2	Confident	115 Å²	115	57.2 Å²	57.2	80%	0.804	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35	-173.3	-54.7	0	0	0	0	112.4	S750	S750-S754 PolarHBondContact O-N 3.41Å
755	S	67.5	Low	81.3	Confident	21 Å²	21	55.2 Å²	55.2	15%	0.147	30%	0.3	C	S	.	.			trans	-82.9	176.3	175.3	58.3	0	0	0	0	111.5	S750 T753 S757	S750-S755 VanDerWaalsContact CA-OG 3.24Å; S750-S755 WeakPolarHBondContact CA-OG 3.32Å; S750-S755 VanDerWaalsContact CB-OG 3.28Å; S750-S755 WeakPolarHBondContact CB-OG 3.47Å; S750-S755 PolarHBondContact O-N 2.92Å; S750-S755 PolarHBondContact O-OG 3.41Å; T753-S755 PolarHBondContact O-N 3.04Å; S755-S757 PolarHBondContact O-N 3.42Å
756	V	69.7	Low	81.5	Confident	41 Å²	41	53.1 Å²	53.1	25%	0.248	29%	0.289	C	S	.	.	S	Bend	trans	-45.3	131.9	171.5	-178.9	0	0	0	0	110.9	I758	V756-I758 PolarHBondContact O-N 3.1Å
757	S	69.8	Low	81.9	Confident	55 Å²	55	55.3 Å²	55.3	39%	0.385	30%	0.3	S	S	.	.			trans	-67.4	129.9	-176.5	66.4	0	0	0	0	111.3	E639 S755 T759	E639-S757 PolarHBondContact OE1-OG 3.29Å; S755-S757 PolarHBondContact O-N 3.42Å; S757-T759 PolarHBondContact O-N 3.13Å
758	I	81.5	Confident	82.1	Confident	11 Å²	11	50 Å²	50	6%	0.056	28%	0.28	C	S	.	.			trans	-87.3	111.4	178.5	-60	-179.1	0	0	0	109.5	Y743 M746 S750 V756 H762 F798	Y743-I758 HydrophobicContact CD2-CG2 4Å; Y743-I758 HydrophobicContact CE2-CG2 3.62Å; Y743-I758 PolarHBondContact OH-O 3.18Å; M746-I758 HydrophobicContact CB-CD1 3.48Å; M746-I758 VanDerWaalsContact CB-CD1 3.48Å; M746-I758 HydrophobicContact CE-CD1 3.95Å; M746-I758 WeakPolarHBondContact O-CD1 3.32Å; S750-I758 WeakPolarHBondContact OG-CD1 3.24Å; V756-I758 PolarHBondContact O-N 3.1Å; I758-H762 HydrophobicContact CG2-CB 4.39Å; I758-H762 WeakPolarHBondContact CG2-ND1 3.41Å; I758-F798 HydrophobicContact CD1-CE1 4.21Å; I758-F798 HydrophobicContact CD1-CE2 4.16Å; I758-F798 HydrophobicContact CD1-CZ 3.82Å; I758-F798 HydrophobicContact CG1-CE2 4Å; I758-F798 HydrophobicContact CG1-CZ 4.01Å
759	T	84.5	Confident	82.4	Confident	41 Å²	41	42.8 Å²	42.8	25%	0.252	25%	0.253	S	S	.	.			trans	-94.4	168.7	178.6	67.3	0	0	0	0	111.8	S757 R761 H762	S757-T759 PolarHBondContact O-N 3.13Å; T759-R761 PolarHBondContact O-N 3.49Å; T759-R761 WeakPolarHBondContact OG1-CB 3.41Å; T759-R761 PolarHBondContact OG1-N 3.1Å; T759-H762 PolarHBondContact O-N 3.35Å
760	V	87.3	Confident	82.9	Confident	94 Å²	94	41 Å²	41	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-59.3	-25	173.2	179.7	0	0	0	0	111.5	H762 V763 E764	V760-H762 VanDerWaalsContact C-N 3.26Å; V760-H762 PolarHBondContact O-N 2.8Å; V760-V763 WeakPolarHBondContact O-CA 3.35Å; V760-V763 VanDerWaalsContact O-CB 3.31Å; V760-V763 WeakPolarHBondContact O-CB 3.33Å; V760-V763 PolarHBondContact O-N 2.8Å; V760-E764 PolarHBondContact O-N 3.2Å
761	R	86	Confident	83.5	Confident	67 Å²	67	41.2 Å²	41.2	25%	0.253	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-35.1	178.5	-66.1	-178.8	177.1	147.1	-1.2	112.8	E593 S643 T759 V763 E764 S765	E593-R761 IonicContact OE1-CZ 2.79Å; E593-R761 IonicContact OE1-NE 3.07Å; E593-R761 IonicContact OE1-NH2 3.8Å; E593-R761 PolarHBondContact OE1-NH2 3.41Å; E593-R761 IonicContact OE2-CZ 2.84Å; E593-R761 IonicContact OE2-NE 3.97Å; E593-R761 IonicContact OE2-NH2 3.51Å; S643-R761 WeakPolarHBondContact O-CD 3.27Å; S643-R761 WeakPolarHBondContact OG-CD 3.49Å; S643-R761 PolarHBondContact OG-NH1 3.44Å; T759-R761 PolarHBondContact O-N 3.49Å; T759-R761 WeakPolarHBondContact OG1-CB 3.41Å; T759-R761 PolarHBondContact OG1-N 3.1Å; R761-V763 VanDerWaalsContact C-N 3.25Å; R761-V763 PolarHBondContact O-N 3.29Å; R761-E764 CarbonylContact O-C 3.51Å; R761-E764 WeakPolarHBondContact O-CA 3.36Å; R761-E764 WeakPolarHBondContact O-CB 3.35Å; R761-E764 PolarHBondContact O-N 3.23Å; R761-E764 VanDerWaalsContact O-N 3.11Å; R761-S765 PolarHBondContact O-N 3.42Å; R761-S765 PolarHBondContact O-OG 3.5Å
762	H	86.6	Confident	84	Confident	21 Å²	21	36.2 Å²	36.2	10%	0.097	22%	0.219	C	C	.	.	H	α-helix	trans	-65.4	-29.7	176.1	-58.5	144.8	0	0	0	112.6	I758 T759 V760 S765 I766	I758-H762 HydrophobicContact CG2-CB 4.39Å; I758-H762 WeakPolarHBondContact CG2-ND1 3.41Å; T759-H762 PolarHBondContact O-N 3.35Å; V760-H762 VanDerWaalsContact C-N 3.26Å; V760-H762 PolarHBondContact O-N 2.8Å; H762-S765 WeakPolarHBondContact O-CB 3.49Å; H762-S765 PolarHBondContact O-N 2.85Å; H762-I766 WeakPolarHBondContact O-CG1 3.44Å; H762-I766 PolarHBondContact O-N 3.04Å
763	V	89.7	Confident	84.5	Confident	32 Å²	32	32.5 Å²	32.5	19%	0.194	19%	0.188	C	C	.	.	H	α-helix	trans	-69.1	-40.6	173.2	-178.6	0	0	0	0	110.1	I739 Y743 V760 R761 S765 I766 I767	I739-V763 HydrophobicContact CG2-CG1 3.81Å; Y743-V763 HydrophobicContact CD2-CG2 3.32Å; Y743-V763 HydrophobicContact CE2-CG2 3.91Å; Y743-V763 HydrophobicContact CG-CG2 3.78Å; V760-V763 WeakPolarHBondContact O-CA 3.35Å; V760-V763 VanDerWaalsContact O-CB 3.31Å; V760-V763 WeakPolarHBondContact O-CB 3.33Å; V760-V763 PolarHBondContact O-N 2.8Å; R761-V763 VanDerWaalsContact C-N 3.25Å; R761-V763 PolarHBondContact O-N 3.29Å; V763-S765 VanDerWaalsContact C-N 3.32Å; V763-I766 PolarHBondContact O-N 3.46Å; V763-I767 HydrophobicContact CG1-CD1 4.5Å; V763-I767 WeakPolarHBondContact O-CG1 3.44Å; V763-I767 PolarHBondContact O-N 3.48Å; V763-I767 VanDerWaalsContact O-N 3.13Å
764	E	88.7	Confident	85.5	Confident	70 Å²	70	30.8 Å²	30.8	33%	0.327	18%	0.177	S	C	.	.	H	α-helix	trans	-63	-39.8	172.7	-55.9	177.4	172.3	0	0	111.6	V760 R761 I766 I767 R768	V760-E764 PolarHBondContact O-N 3.2Å; R761-E764 CarbonylContact O-C 3.51Å; R761-E764 WeakPolarHBondContact O-CA 3.36Å; R761-E764 WeakPolarHBondContact O-CB 3.35Å; R761-E764 PolarHBondContact O-N 3.23Å; R761-E764 VanDerWaalsContact O-N 3.11Å; E764-I766 VanDerWaalsContact C-N 3.33Å; E764-I766 PolarHBondContact O-N 3.28Å; E764-I767 PolarHBondContact O-N 2.77Å; E764-I767 VanDerWaalsContact O-N 3.13Å; E764-R768 WeakPolarHBondContact O-CG 3.35Å; E764-R768 PolarHBondContact O-N 2.88Å; E764-R768 IonicContact OE2-CZ 3.63Å; E764-R768 IonicContact OE2-NH2 3.2Å; E764-R768 PolarHBondContact OE2-NH2 2.75Å
765	S	90.3	Very high	86.8	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.014	14%	0.14	C	C	.	.	H	α-helix	trans	-57.4	-44.5	174.1	-53	0	0	0	0	111.6	D646 R761 H762 V763 I767 R768 L769	D646-S765 VanDerWaalsContact OD1-CB 3.23Å; D646-S765 WeakPolarHBondContact OD1-CB 3.45Å; D646-S765 PolarHBondContact OD1-OG 3.11Å; R761-S765 PolarHBondContact O-N 3.42Å; R761-S765 PolarHBondContact O-OG 3.5Å; H762-S765 WeakPolarHBondContact O-CB 3.49Å; H762-S765 PolarHBondContact O-N 2.85Å; V763-S765 VanDerWaalsContact C-N 3.32Å; S765-I767 VanDerWaalsContact C-N 3.32Å; S765-I767 PolarHBondContact O-N 2.62Å; S765-R768 PolarHBondContact O-N 2.73Å; S765-L769 WeakPolarHBondContact O-CB 3.23Å; S765-L769 VanDerWaalsContact O-CG 3.28Å; S765-L769 WeakPolarHBondContact O-CG 3.28Å; S765-L769 PolarHBondContact O-N 2.8Å
766	I	91.8	Very high	87.9	Confident	5 Å²	5	24.6 Å²	24.6	3%	0.026	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-46.4	175	-67.6	164.1	0	0	0	110.1	I739 L742 H762 V763 E764 R768 L769 C770 A790 M791 T794	I739-I766 HydrophobicContact CD1-CG2 4.33Å; L742-I766 HydrophobicContact CD2-CD1 4.15Å; H762-I766 WeakPolarHBondContact O-CG1 3.44Å; H762-I766 PolarHBondContact O-N 3.04Å; V763-I766 PolarHBondContact O-N 3.46Å; E764-I766 VanDerWaalsContact C-N 3.33Å; E764-I766 PolarHBondContact O-N 3.28Å; I766-R768 PolarHBondContact O-N 2.95Å; I766-L769 PolarHBondContact O-N 3.4Å; I766-C770 PolarHBondContact O-N 3.02Å; I766-C770 PolarHBondContact O-SG 3.24Å; I766-A790 HydrophobicContact CG2-CB 4.25Å; I766-M791 HydrophobicContact CG2-CG 4.35Å; I766-T794 HydrophobicContact CD1-CG2 4.24Å; I766-T794 HydrophobicContact CG1-CG2 3.88Å; I766-T794 WeakPolarHBondContact CG1-OG1 3.34Å
767	I	91.7	Very high	88.9	Confident	53 Å²	53	24.7 Å²	24.7	27%	0.272	13%	0.129	S	C	.	.	H	α-helix	trans	-62.7	-43.7	179.7	-65.3	168.5	0	0	0	111.3	L731 V763 E764 S765 L769 C770 E771	L731-I767 HydrophobicContact CD1-CG2 3.75Å; L731-I767 HydrophobicContact CD2-CG2 4.19Å; V763-I767 HydrophobicContact CG1-CD1 4.5Å; V763-I767 WeakPolarHBondContact O-CG1 3.44Å; V763-I767 PolarHBondContact O-N 3.48Å; V763-I767 VanDerWaalsContact O-N 3.13Å; E764-I767 PolarHBondContact O-N 2.77Å; E764-I767 VanDerWaalsContact O-N 3.13Å; S765-I767 VanDerWaalsContact C-N 3.32Å; S765-I767 PolarHBondContact O-N 2.62Å; I767-L769 VanDerWaalsContact C-N 3.35Å; I767-L769 PolarHBondContact O-N 3.04Å; I767-C770 WeakPolarHBondContact O-CB 3.4Å; I767-C770 PolarHBondContact O-N 3.28Å; I767-E771 WeakPolarHBondContact O-CG 3.32Å; I767-E771 PolarHBondContact O-N 3.19Å; I767-E771 VanDerWaalsContact O-N 3.08Å
768	R	92.6	Very high	89.8	Confident	10 Å²	10	23.3 Å²	23.3	4%	0.038	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-43.4	175.7	-68	175.4	-166.1	117.5	15	111.6	R502 I505 D646 E764 S765 I766 E771 A772	R502-R768 VanDerWaalsContact CG-CZ 3.43Å; R502-R768 VanDerWaalsContact CG-NH2 3.33Å; R502-R768 PolarHBondContact O-NE 3.19Å; I505-R768 HydrophobicContact CD1-CB 4.46Å; I505-R768 HydrophobicContact CG1-CB 4.06Å; D646-R768 IonicContact OD1-NH1 3.73Å; D646-R768 PolarHBondContact OD1-NH1 3.49Å; D646-R768 VanDerWaalsContact OD1-NH1 3.07Å; E764-R768 WeakPolarHBondContact O-CG 3.35Å; E764-R768 PolarHBondContact O-N 2.88Å; E764-R768 IonicContact OE2-CZ 3.63Å; E764-R768 IonicContact OE2-NH2 3.2Å; E764-R768 PolarHBondContact OE2-NH2 2.75Å; S765-R768 PolarHBondContact O-N 2.73Å; I766-R768 PolarHBondContact O-N 2.95Å; R768-E771 PolarHBondContact O-N 3.32Å; R768-A772 WeakPolarHBondContact O-CB 3.47Å; R768-A772 PolarHBondContact O-N 3.03Å
769	L	92.6	Very high	90.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-65.2	-37.4	177.2	-70.9	168	0	0	0	112	L485 I505 V647 S765 I766 I767 E771 A772 H773 A790 V793	L485-L769 HydrophobicContact CB-CD2 4.17Å; L485-L769 HydrophobicContact CD1-CD2 3.79Å; I505-L769 HydrophobicContact CD1-CD2 4.07Å; I505-L769 HydrophobicContact CG2-CD2 4.18Å; V647-L769 HydrophobicContact CG2-CD1 4.15Å; V647-L769 HydrophobicContact CG2-CD2 4.08Å; S765-L769 WeakPolarHBondContact O-CB 3.23Å; S765-L769 VanDerWaalsContact O-CG 3.28Å; S765-L769 WeakPolarHBondContact O-CG 3.28Å; S765-L769 PolarHBondContact O-N 2.8Å; I766-L769 PolarHBondContact O-N 3.4Å; I767-L769 VanDerWaalsContact C-N 3.35Å; I767-L769 PolarHBondContact O-N 3.04Å; L769-E771 VanDerWaalsContact C-N 3.34Å; L769-A772 PolarHBondContact O-N 3.22Å; L769-H773 WeakPolarHBondContact O-CB 3.49Å; L769-H773 PolarHBondContact O-N 3.33Å; L769-A790 HydrophobicContact CB-CB 3.77Å; L769-V793 HydrophobicContact CD1-CG1 4.3Å
770	C	92.5	Very high	90.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-46.1	173	-66.2	0	0	0	0	111.4	I766 I767 H773 A774 V782 A790	I766-C770 PolarHBondContact O-N 3.02Å; I766-C770 PolarHBondContact O-SG 3.24Å; I767-C770 WeakPolarHBondContact O-CB 3.4Å; I767-C770 PolarHBondContact O-N 3.28Å; C770-H773 PolarHBondContact O-N 3.23Å; C770-A774 PolarHBondContact O-N 2.82Å; C770-V782 HydrophobicContact CB-CG1 3.87Å; C770-V782 HydrophobicContact CB-CG2 4.49Å; C770-A790 HydrophobicContact CB-CB 4.43Å; C770-A790 WeakPolarHBondContact SG-CB 2.84Å
771	E	92.3	Very high	90.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-66.2	-45.5	179.4	-69.7	167.6	-172.5	0	0	111.7	E491 K493 P729 L731 I767 R768 L769 H773 A774 K775	E491-E771 WeakPolarHBondContact CB-OE2 3.47Å; E491-E771 PolarHBondContact N-OE2 3.41Å; K493-E771 WeakPolarHBondContact CE-OE1 3.45Å; K493-E771 IonicContact NZ-OE1 3.97Å; K493-E771 PolarHBondContact NZ-OE1 2.66Å; P729-E771 HydrophobicContact CG-CB 3.84Å; P729-E771 HydrophobicContact CG-CG 4.03Å; L731-E771 HydrophobicContact CD2-CG 4Å; I767-E771 WeakPolarHBondContact O-CG 3.32Å; I767-E771 PolarHBondContact O-N 3.19Å; I767-E771 VanDerWaalsContact O-N 3.08Å; R768-E771 PolarHBondContact O-N 3.32Å; L769-E771 VanDerWaalsContact C-N 3.34Å; E771-H773 VanDerWaalsContact C-N 3.27Å; E771-H773 PolarHBondContact O-N 3.09Å; E771-A774 PolarHBondContact O-N 2.88Å; E771-A774 VanDerWaalsContact O-N 3.16Å; E771-K775 WeakPolarHBondContact O-CG 3.26Å; E771-K775 PolarHBondContact O-N 3.25Å
772	A	92.6	Very high	90.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-39	176.5	0	0	0	0	0	111.6	L485 I505 R768 L769 K775 L776	L485-A772 HydrophobicContact CB-CB 4.35Å; L485-A772 HydrophobicContact CD2-CB 4.11Å; I505-A772 HydrophobicContact CD1-CB 3.52Å; R768-A772 WeakPolarHBondContact O-CB 3.47Å; R768-A772 PolarHBondContact O-N 3.03Å; L769-A772 PolarHBondContact O-N 3.22Å; A772-K775 PolarHBondContact O-N 3.22Å; A772-L776 WeakPolarHBondContact O-CB 3.32Å; A772-L776 PolarHBondContact O-N 3.22Å
773	H	91.7	Very high	90.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-38.6	175.8	-170.3	-102.8	0	0	0	112.8	T462 L485 L769 C770 E771 L776 R777 D786 M789	T462-H773 VanDerWaalsContact CG2-NE2 3.28Å; T462-H773 WeakPolarHBondContact CG2-NE2 3.45Å; L485-H773 HydrophobicContact CD2-CB 4.1Å; L769-H773 WeakPolarHBondContact O-CB 3.49Å; L769-H773 PolarHBondContact O-N 3.33Å; C770-H773 PolarHBondContact O-N 3.23Å; E771-H773 VanDerWaalsContact C-N 3.27Å; E771-H773 PolarHBondContact O-N 3.09Å; H773-L776 WeakPolarHBondContact O-CB 3.17Å; H773-L776 PolarHBondContact O-N 3.24Å; H773-R777 PolarHBondContact O-N 2.97Å; H773-D786 HydrophobicContact CB-CB 4.41Å; H773-D786 IonicContact CE1-OD1 3.2Å; H773-D786 PolarHBondContact CE1-OD1 2.84Å; H773-D786 IonicContact CG-OD1 3.79Å; H773-D786 IonicContact ND1-OD1 2.8Å; H773-D786 PolarHBondContact ND1-OD1 3.09Å; H773-M789 VanDerWaalsContact CD2-CE 3.46Å; H773-M789 WeakPolarHBondContact CD2-CE 3.37Å; H773-M789 PolarHBondContact CD2-SD 3.42Å; H773-M789 WeakPolarHBondContact CE1-CE 3.39Å; H773-M789 WeakPolarHBondContact NE2-CE 3.48Å; H773-M789 PolarHBondContact NE2-SD 3.27Å; H773-M789 VanDerWaalsContact NE2-SD 3.44Å
774	A	91.5	Very high	90.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.1	-42.9	173.2	0	0	0	0	0	111.5	P729 C770 E771 L776 R777 L778 R779 V782	P729-A774 HydrophobicContact CB-CB 3.92Å; P729-A774 HydrophobicContact CG-CB 4.48Å; C770-A774 PolarHBondContact O-N 2.82Å; E771-A774 PolarHBondContact O-N 2.88Å; E771-A774 VanDerWaalsContact O-N 3.16Å; A774-L776 VanDerWaalsContact C-N 3.34Å; A774-L776 PolarHBondContact O-N 2.84Å; A774-R777 CarbonylContact O-C 3.56Å; A774-R777 PolarHBondContact O-N 3.43Å; A774-R777 VanDerWaalsContact O-N 3.15Å; A774-L778 PolarHBondContact O-N 3.04Å; A774-R779 PolarHBondContact O-N 3.48Å; A774-V782 HydrophobicContact CB-CG2 4.19Å
775	K	91.6	Very high	90.7	Very high	5 Å²	5	28 Å²	28	2%	0.022	14%	0.138	C	C	.	.	H	α-helix	trans	-60.8	-41.2	173.4	-71.5	-173	-176.1	-165.5	0	111.9	V488 G490 E491 I727 P729 E771 A772 R777 L778	V488-K775 HydrophobicContact CG1-CB 3.34Å; V488-K775 HydrophobicContact CG1-CD 3.97Å; V488-K775 HydrophobicContact CG1-CG 4.28Å; G490-K775 PolarHBondContact O-NZ 3.27Å; E491-K775 WeakPolarHBondContact OE2-CE 3.38Å; E491-K775 IonicContact OE2-NZ 3.96Å; E491-K775 PolarHBondContact OE2-NZ 3.33Å; I727-K775 HydrophobicContact CB-CG 4.5Å; I727-K775 HydrophobicContact CG2-CG 4.22Å; I727-K775 WeakPolarHBondContact O-CE 3.45Å; P729-K775 VanDerWaalsContact CD-CE 3.49Å; P729-K775 HydrophobicContact CG-CG 4.06Å; E771-K775 WeakPolarHBondContact O-CG 3.26Å; E771-K775 PolarHBondContact O-N 3.25Å; A772-K775 PolarHBondContact O-N 3.22Å; K775-R777 PolarHBondContact O-N 2.74Å; K775-L778 PolarHBondContact O-N 3.34Å
776	L	90.6	Very high	90.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-26.5	176.4	-167	74.3	0	0	0	113.2	T462 I465 F466 V488 Y719 A772 H773 A774	T462-L776 HydrophobicContact CG2-CD2 4.13Å; I465-L776 HydrophobicContact CB-CD1 4.48Å; I465-L776 HydrophobicContact CD1-CD1 3.57Å; I465-L776 HydrophobicContact CD1-CG 3.82Å; I465-L776 HydrophobicContact CG2-CD1 3.98Å; F466-L776 HydrophobicContact CE1-CD2 3.86Å; F466-L776 HydrophobicContact CZ-CD2 4Å; V488-L776 HydrophobicContact CG2-CD1 4.02Å; Y719-L776 PolarHBondContact OH-O 2.99Å; A772-L776 WeakPolarHBondContact O-CB 3.32Å; A772-L776 PolarHBondContact O-N 3.22Å; H773-L776 WeakPolarHBondContact O-CB 3.17Å; H773-L776 PolarHBondContact O-N 3.24Å; A774-L776 VanDerWaalsContact C-N 3.34Å; A774-L776 PolarHBondContact O-N 2.84Å
777	R	90.1	Very high	90.6	Very high	44 Å²	44	27.7 Å²	27.7	17%	0.166	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	7.2	176.2	-72.9	-179.7	155.3	-179.5	-8.5	113.4	I461 T462 H773 A774 K775 R779 D786	I461-R777 HydrophobicContact CG2-CG 4.26Å; T462-R777 HydrophobicContact CG2-CG 3.82Å; H773-R777 PolarHBondContact O-N 2.97Å; A774-R777 CarbonylContact O-C 3.56Å; A774-R777 PolarHBondContact O-N 3.43Å; A774-R777 VanDerWaalsContact O-N 3.15Å; K775-R777 PolarHBondContact O-N 2.74Å; R777-R779 HydrophobicContact CB-CG 4.04Å; R777-R779 PolarHBondContact O-N 3.3Å; R777-D786 IonicContact NH1-OD1 2.8Å; R777-D786 PolarHBondContact NH1-OD1 3.12Å
778	L	90.2	Very high	90.4	Very high	25 Å²	25	26.4 Å²	26.4	13%	0.131	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	34.9	-171.4	-48.6	-178	0	0	0	114.8	I452 M453 S456 Y719 Y722 A723 I727 A774 K775	I452-L778 HydrophobicContact CG2-CD1 3.7Å; M453-L778 HydrophobicContact SD-CD1 4.26Å; S456-L778 VanDerWaalsContact CB-CD1 3.41Å; Y719-L778 HydrophobicContact CE1-CD2 4.35Å; Y719-L778 HydrophobicContact CE2-CD1 4.04Å; Y719-L778 HydrophobicContact CE2-CD2 4.37Å; Y719-L778 HydrophobicContact CE2-CG 4.28Å; Y722-L778 HydrophobicContact CD1-CD1 4.16Å; Y722-L778 HydrophobicContact CD1-CD2 3.99Å; Y722-L778 HydrophobicContact CE1-CD1 4.02Å; Y722-L778 HydrophobicContact CE1-CD2 4.35Å; A723-L778 HydrophobicContact CB-CD2 3.64Å; I727-L778 HydrophobicContact CD1-CB 3.33Å; I727-L778 HydrophobicContact CD1-CD2 3.29Å; I727-L778 HydrophobicContact CD1-CG 3.81Å; A774-L778 PolarHBondContact O-N 3.04Å; K775-L778 PolarHBondContact O-N 3.34Å
779	R	88.7	Confident	90.1	Very high	78 Å²	78	26.6 Å²	26.6	29%	0.294	13%	0.134	S	C	.	.			trans	-97.1	133.1	180	-66.1	-178.5	-178.7	176.4	-2.8	111.8	A774 R777 Y781	A774-R779 PolarHBondContact O-N 3.48Å; R777-R779 HydrophobicContact CB-CG 4.04Å; R777-R779 PolarHBondContact O-N 3.3Å; R779-Y781 VanDerWaalsContact C-N 3.25Å; R779-Y781 PolarHBondContact O-N 2.91Å
780	N	89.1	Confident	90	Very high	99 Å²	99	26.7 Å²	26.7	53%	0.529	13%	0.134	S	C	.	.	S	Bend	trans	-81.5	3.7	175.6	-66.9	-30.1	0	0	0	114.2	P729 S730	P729-N780 WeakPolarHBondContact CA-O 3.46Å; S730-N780 PolarHBondContact N-O 3.28Å; S730-N780 PolarHBondContact OG-O 3.45Å
781	Y	91.5	Very high	89.8	Confident	116 Å²	116	26.8 Å²	26.8	46%	0.455	14%	0.135	S	C	.	.	B	Isolated β-bridge	trans	-141.9	148.7	177.4	63.5	-88.3	0	0	0	109.8	S730 R779	S730-Y781 WeakPolarHBondContact O-CA 3.45Å; R779-Y781 VanDerWaalsContact C-N 3.25Å; R779-Y781 PolarHBondContact O-N 2.91Å
782	V	90.4	Very high	89.6	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	14%	0.136	C	C	.	.			trans	-84	124.9	176.5	177.2	0	0	0	0	110	P729 S730 L731 V734 C770 A774 D786 V787	P729-V782 HydrophobicContact CB-CG2 4.4Å; S730-V782 PolarHBondContact O-N 3.26Å; S730-V782 VanDerWaalsContact O-N 3.13Å; L731-V782 HydrophobicContact CD2-CB 4.46Å; L731-V782 HydrophobicContact CD2-CG2 3.75Å; V734-V782 HydrophobicContact CG2-CB 4.14Å; V734-V782 HydrophobicContact CG2-CG1 4.03Å; C770-V782 HydrophobicContact CB-CG1 3.87Å; C770-V782 HydrophobicContact CB-CG2 4.49Å; A774-V782 HydrophobicContact CB-CG2 4.19Å; V782-D786 HydrophobicContact CG1-CB 4.2Å; V782-V787 HydrophobicContact CG1-CG2 3.84Å
783	S	88.8	Confident	89.4	Confident	25 Å²	25	27.6 Å²	27.6	18%	0.175	14%	0.139	C	C	.	.			trans	-87.3	159.2	173.4	-179	0	0	0	0	111.9	D785 D786 V787	S783-D785 PolarHBondContact O-N 3.29Å; S783-D785 PolarHBondContact OG-N 3.45Å; S783-D786 VanDerWaalsContact CB-OD2 3.28Å; S783-D786 WeakPolarHBondContact CB-OD2 3.46Å; S783-D786 PolarHBondContact N-OD2 3.27Å; S783-D786 WeakPolarHBondContact O-CB 3.48Å; S783-D786 PolarHBondContact O-N 3.16Å; S783-D786 VanDerWaalsContact O-N 3.08Å; S783-V787 PolarHBondContact O-N 3.23Å; S783-V787 VanDerWaalsContact O-N 3.16Å
784	A	88.4	Confident	89.3	Confident	37 Å²	37	28 Å²	28	31%	0.306	14%	0.141	S	C	.	.	H	α-helix	trans	-59.2	-27.2	170.5	0	0	0	0	0	113	S788	A784-S788 WeakPolarHBondContact O-CB 3.49Å; A784-S788 PolarHBondContact O-N 2.93Å; A784-S788 PolarHBondContact O-OG 2.68Å
785	D	86.5	Confident	89.1	Confident	79 Å²	79	28 Å²	28	42%	0.422	14%	0.141	S	C	.	.	H	α-helix	trans	-67.4	-40.2	174.7	-62.4	-28.4	0	0	0	111.5	S783 S788 M789	S783-D785 PolarHBondContact O-N 3.29Å; S783-D785 PolarHBondContact OG-N 3.45Å; D785-S788 PolarHBondContact O-N 2.86Å; D785-M789 PolarHBondContact O-N 3.42Å
786	D	88.7	Confident	88.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-40.1	-179.4	-50.5	-37.1	0	0	0	109.7	H773 R777 V782 S783 M789 A790	H773-D786 HydrophobicContact CB-CB 4.41Å; H773-D786 IonicContact CE1-OD1 3.2Å; H773-D786 PolarHBondContact CE1-OD1 2.84Å; H773-D786 IonicContact CG-OD1 3.79Å; H773-D786 IonicContact ND1-OD1 2.8Å; H773-D786 PolarHBondContact ND1-OD1 3.09Å; R777-D786 IonicContact NH1-OD1 2.8Å; R777-D786 PolarHBondContact NH1-OD1 3.12Å; V782-D786 HydrophobicContact CG1-CB 4.2Å; S783-D786 VanDerWaalsContact CB-OD2 3.28Å; S783-D786 WeakPolarHBondContact CB-OD2 3.46Å; S783-D786 PolarHBondContact N-OD2 3.27Å; S783-D786 WeakPolarHBondContact O-CB 3.48Å; S783-D786 PolarHBondContact O-N 3.16Å; S783-D786 VanDerWaalsContact O-N 3.08Å; D786-M789 PolarHBondContact O-N 2.81Å; D786-A790 WeakPolarHBondContact O-CB 3.4Å; D786-A790 PolarHBondContact O-N 3.28Å
787	V	89.5	Confident	88.7	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-47.3	172	178.6	0	0	0	0	111	V734 I739 V782 S783 M789 A790 M791	V734-V787 HydrophobicContact CG1-CG2 4.13Å; I739-V787 HydrophobicContact CD1-CG1 4.19Å; I739-V787 HydrophobicContact CG1-CG1 4.07Å; V782-V787 HydrophobicContact CG1-CG2 3.84Å; S783-V787 PolarHBondContact O-N 3.23Å; S783-V787 VanDerWaalsContact O-N 3.16Å; V787-M789 VanDerWaalsContact C-N 3.31Å; V787-M789 PolarHBondContact O-N 3.39Å; V787-A790 PolarHBondContact O-N 3.21Å; V787-M791 HydrophobicContact CG1-CG 4.36Å; V787-M791 HydrophobicContact CG1-SD 3.82Å; V787-M791 WeakPolarHBondContact O-CB 3.43Å; V787-M791 WeakPolarHBondContact O-CG 3.49Å; V787-M791 PolarHBondContact O-N 3.01Å
788	S	88.6	Confident	88.4	Confident	25 Å²	25	27.4 Å²	27.4	18%	0.175	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-37.1	-179.5	-57.1	0	0	0	0	111.7	A784 D785 R792 F820	A784-S788 WeakPolarHBondContact O-CB 3.49Å; A784-S788 PolarHBondContact O-N 2.93Å; A784-S788 PolarHBondContact O-OG 2.68Å; D785-S788 PolarHBondContact O-N 2.86Å; S788-R792 PolarHBondContact O-N 3.49Å; S788-F820 VanDerWaalsContact CB-CD1 3.4Å
789	M	85.9	Confident	88.3	Confident	15 Å²	15	26.3 Å²	26.3	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-66.5	-47.5	173.2	-171.5	-164.6	-67.5	0	0	112	H773 D785 D786 V787 M791 R792 V793	H773-M789 VanDerWaalsContact CD2-CE 3.46Å; H773-M789 WeakPolarHBondContact CD2-CE 3.37Å; H773-M789 PolarHBondContact CD2-SD 3.42Å; H773-M789 WeakPolarHBondContact CE1-CE 3.39Å; H773-M789 WeakPolarHBondContact NE2-CE 3.48Å; H773-M789 PolarHBondContact NE2-SD 3.27Å; H773-M789 VanDerWaalsContact NE2-SD 3.44Å; D785-M789 PolarHBondContact O-N 3.42Å; D786-M789 PolarHBondContact O-N 2.81Å; V787-M789 VanDerWaalsContact C-N 3.31Å; V787-M789 PolarHBondContact O-N 3.39Å; M789-M791 VanDerWaalsContact C-N 3.29Å; M789-M791 PolarHBondContact O-N 3.39Å; M789-R792 WeakPolarHBondContact O-CA 3.43Å; M789-R792 WeakPolarHBondContact O-CB 3.3Å; M789-R792 PolarHBondContact O-N 2.7Å; M789-V793 HydrophobicContact CG-CG2 4.44Å; M789-V793 WeakPolarHBondContact O-CG2 3.45Å; M789-V793 PolarHBondContact O-N 3.22Å
790	A	89.8	Confident	88	Confident	2 Å²	2	23.6 Å²	23.6	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-41.4	179.7	0	0	0	0	0	111.6	I766 L769 C770 D786 V787 R792 V793 T794	I766-A790 HydrophobicContact CG2-CB 4.25Å; L769-A790 HydrophobicContact CB-CB 3.77Å; C770-A790 HydrophobicContact CB-CB 4.43Å; C770-A790 WeakPolarHBondContact SG-CB 2.84Å; D786-A790 WeakPolarHBondContact O-CB 3.4Å; D786-A790 PolarHBondContact O-N 3.28Å; V787-A790 PolarHBondContact O-N 3.21Å; A790-R792 VanDerWaalsContact C-N 3.34Å; A790-R792 PolarHBondContact O-N 3Å; A790-V793 PolarHBondContact O-N 3.33Å; A790-T794 WeakPolarHBondContact O-CB 3.37Å; A790-T794 PolarHBondContact O-N 3.04Å; A790-T794 PolarHBondContact O-OG1 3.28Å
791	M	89.4	Confident	87.8	Confident	4 Å²	4	19.2 Å²	19.2	2%	0.02	10%	0.102	C	C	.	.	H	α-helix	trans	-59.5	-44.1	172.3	-70.3	170.8	81.2	0	0	111.4	L742 I766 V787 M789 T794 L795 Y817	L742-M791 HydrophobicContact CB-CE 3.5Å; L742-M791 VanDerWaalsContact CB-CE 3.5Å; L742-M791 HydrophobicContact CD1-CE 4.28Å; L742-M791 HydrophobicContact CD2-CB 3.93Å; L742-M791 HydrophobicContact CD2-CE 3.41Å; L742-M791 VanDerWaalsContact CD2-CE 3.41Å; L742-M791 HydrophobicContact CD2-CG 3.71Å; L742-M791 HydrophobicContact CD2-SD 4.41Å; L742-M791 HydrophobicContact CG-CE 3.88Å; I766-M791 HydrophobicContact CG2-CG 4.35Å; V787-M791 HydrophobicContact CG1-CG 4.36Å; V787-M791 HydrophobicContact CG1-SD 3.82Å; V787-M791 WeakPolarHBondContact O-CB 3.43Å; V787-M791 WeakPolarHBondContact O-CG 3.49Å; V787-M791 PolarHBondContact O-N 3.01Å; M789-M791 VanDerWaalsContact C-N 3.29Å; M789-M791 PolarHBondContact O-N 3.39Å; M791-T794 PolarHBondContact O-N 3.28Å; M791-L795 WeakPolarHBondContact O-CB 3.1Å; M791-L795 WeakPolarHBondContact O-CG 3.35Å; M791-L795 PolarHBondContact O-N 3.49Å; M791-Y817 HydrophobicContact CE-CD1 4.12Å; M791-Y817 HydrophobicContact CE-CE1 4.03Å
792	R	88.1	Confident	87.5	Confident	12 Å²	12	13.8 Å²	13.8	5%	0.045	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-49.8	176.8	-178.8	-179.9	68.7	-173.3	1.9	111.7	S788 M789 A790 T794 L795 E796 F820 T821	S788-R792 PolarHBondContact O-N 3.49Å; M789-R792 WeakPolarHBondContact O-CA 3.43Å; M789-R792 WeakPolarHBondContact O-CB 3.3Å; M789-R792 PolarHBondContact O-N 2.7Å; A790-R792 VanDerWaalsContact C-N 3.34Å; A790-R792 PolarHBondContact O-N 3Å; R792-T794 VanDerWaalsContact C-N 3.32Å; R792-T794 PolarHBondContact O-N 2.98Å; R792-L795 PolarHBondContact O-N 3.47Å; R792-E796 HydrophobicContact CG-CG 4.26Å; R792-E796 WeakPolarHBondContact CG-OE1 3.49Å; R792-E796 WeakPolarHBondContact O-CB 3.44Å; R792-E796 WeakPolarHBondContact O-CG 3.46Å; R792-E796 PolarHBondContact O-N 3.17Å; R792-F820 PolarHBondContact NH1-O 3.32Å; R792-T821 PolarHBondContact NH1-OG1 3.27Å
793	V	88.5	Confident	87.2	Confident	9 Å²	9	17.6 Å²	17.6	6%	0.055	10%	0.098	C	C	.	.	H	α-helix	trans	-60.4	-43.9	-179.7	174.4	0	0	0	0	111.1	R481 V647 L769 M789 A790 E796 S797	R481-V793 HydrophobicContact CG-CG2 4.39Å; V647-V793 HydrophobicContact CG1-CG1 4.41Å; V647-V793 HydrophobicContact CG2-CG1 4.31Å; L769-V793 HydrophobicContact CD1-CG1 4.3Å; M789-V793 HydrophobicContact CG-CG2 4.44Å; M789-V793 WeakPolarHBondContact O-CG2 3.45Å; M789-V793 PolarHBondContact O-N 3.22Å; A790-V793 PolarHBondContact O-N 3.33Å; V793-E796 PolarHBondContact O-N 2.91Å; V793-S797 VanDerWaalsContact O-CB 3.32Å; V793-S797 WeakPolarHBondContact O-CB 3.38Å; V793-S797 PolarHBondContact O-N 3.3Å
794	T	88.9	Confident	86.8	Confident	9 Å²	9	23.4 Å²	23.4	6%	0.055	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-43	179.2	-52.1	0	0	0	0	111.5	I766 A790 M791 R792 F798	I766-T794 HydrophobicContact CD1-CG2 4.24Å; I766-T794 HydrophobicContact CG1-CG2 3.88Å; I766-T794 WeakPolarHBondContact CG1-OG1 3.34Å; A790-T794 WeakPolarHBondContact O-CB 3.37Å; A790-T794 PolarHBondContact O-N 3.04Å; A790-T794 PolarHBondContact O-OG1 3.28Å; M791-T794 PolarHBondContact O-N 3.28Å; R792-T794 VanDerWaalsContact C-N 3.32Å; R792-T794 PolarHBondContact O-N 2.98Å; T794-F798 WeakPolarHBondContact O-CB 3.3Å; T794-F798 PolarHBondContact O-N 3.06Å
795	L	88.1	Confident	86.5	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-67.3	-44.4	177.1	-80.2	173.2	0	0	0	112.6	L742 M746 M791 R792 S797 F798 I799 F814 Y817	L742-L795 HydrophobicContact CD1-CD1 3.84Å; L742-L795 HydrophobicContact CD1-CD2 4.03Å; L742-L795 HydrophobicContact CD1-CG 4.17Å; M746-L795 HydrophobicContact CE-CD2 4.1Å; M746-L795 HydrophobicContact CG-CD2 3.91Å; M746-L795 HydrophobicContact SD-CD2 3.74Å; M791-L795 WeakPolarHBondContact O-CB 3.1Å; M791-L795 WeakPolarHBondContact O-CG 3.35Å; M791-L795 PolarHBondContact O-N 3.49Å; R792-L795 PolarHBondContact O-N 3.47Å; L795-S797 VanDerWaalsContact C-N 3.29Å; L795-S797 PolarHBondContact O-N 3.15Å; L795-F798 PolarHBondContact O-N 3.34Å; L795-I799 VanDerWaalsContact O-CB 3.3Å; L795-I799 WeakPolarHBondContact O-CB 3.4Å; L795-I799 WeakPolarHBondContact O-CD1 3.38Å; L795-I799 WeakPolarHBondContact O-CG1 3.45Å; L795-I799 PolarHBondContact O-N 3.16Å; L795-F814 HydrophobicContact CD1-CB 4.36Å; L795-F814 HydrophobicContact CD1-CD1 4.4Å; L795-F814 HydrophobicContact CD2-CD1 4.2Å; L795-F814 HydrophobicContact CD2-CD2 4.34Å; L795-F814 HydrophobicContact CD2-CE1 4.5Å; L795-F814 HydrophobicContact CD2-CG 4.14Å; L795-Y817 HydrophobicContact CD1-CG 4.4Å
796	E	87	Confident	86.4	Confident	17 Å²	17	22.4 Å²	22.4	8%	0.079	11%	0.113	C	C	.	.	H	α-helix	trans	-56.2	-48.7	176.2	-79.6	172.4	174	0	0	110.1	R481 R792 V793 I799 Q800 M818	R481-E796 IonicContact NH1-OE2 3.95Å; R481-E796 PolarHBondContact NH1-OE2 3.2Å; R792-E796 HydrophobicContact CG-CG 4.26Å; R792-E796 WeakPolarHBondContact CG-OE1 3.49Å; R792-E796 WeakPolarHBondContact O-CB 3.44Å; R792-E796 WeakPolarHBondContact O-CG 3.46Å; R792-E796 PolarHBondContact O-N 3.17Å; V793-E796 PolarHBondContact O-N 2.91Å; E796-I799 PolarHBondContact O-N 3.23Å; E796-Q800 VanDerWaalsContact O-CG 3.3Å; E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 3.36Å; E796-Q800 VanDerWaalsContact O-N 3.14Å; E796-M818 HydrophobicContact CG-CE 4.13Å
797	S	85.5	Confident	86.1	Confident	6 Å²	6	22.8 Å²	22.8	4%	0.042	12%	0.115	C	C	.	.	H	α-helix	trans	-57.8	-51	176	-177.3	0	0	0	0	112.2	F648 V793 L795 I799 Q800 T801	F648-S797 VanDerWaalsContact CA-OG 3.32Å; F648-S797 WeakPolarHBondContact CA-OG 3.31Å; F648-S797 WeakPolarHBondContact CB-OG 3.28Å; F648-S797 PolarHBondContact N-OG 3.21Å; F648-S797 WeakPolarHBondContact O-CB 3.34Å; F648-S797 PolarHBondContact O-OG 3.22Å; V793-S797 VanDerWaalsContact O-CB 3.32Å; V793-S797 WeakPolarHBondContact O-CB 3.38Å; V793-S797 PolarHBondContact O-N 3.3Å; L795-S797 VanDerWaalsContact C-N 3.29Å; L795-S797 PolarHBondContact O-N 3.15Å; S797-I799 PolarHBondContact O-N 3.47Å; S797-Q800 PolarHBondContact O-N 3.33Å; S797-T801 PolarHBondContact O-N 3.37Å
798	F	85.5	Confident	85.8	Confident	15 Å²	15	29.2 Å²	29.2	7%	0.066	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-45.7	-179	-173.7	-106.4	0	0	0	111.9	M746 S750 I758 T794 L795 Q800 T801 Q802 M810	M746-F798 HydrophobicContact CE-CB 4.15Å; M746-F798 HydrophobicContact CE-CD1 4.04Å; M746-F798 HydrophobicContact CE-CD2 4.5Å; M746-F798 HydrophobicContact CE-CG 3.98Å; S750-F798 WeakPolarHBondContact OG-CE1 3.48Å; S750-F798 WeakPolarHBondContact OG-CZ 3.34Å; I758-F798 HydrophobicContact CD1-CE1 4.21Å; I758-F798 HydrophobicContact CD1-CE2 4.16Å; I758-F798 HydrophobicContact CD1-CZ 3.82Å; I758-F798 HydrophobicContact CG1-CE2 4Å; I758-F798 HydrophobicContact CG1-CZ 4.01Å; T794-F798 WeakPolarHBondContact O-CB 3.3Å; T794-F798 PolarHBondContact O-N 3.06Å; L795-F798 PolarHBondContact O-N 3.34Å; F798-Q800 PolarHBondContact O-N 3.23Å; F798-T801 PolarHBondContact O-N 3.11Å; F798-T801 VanDerWaalsContact O-N 3.16Å; F798-T801 PolarHBondContact O-OG1 3.42Å; F798-Q802 HydrophobicContact CE1-CG 4.32Å; F798-Q802 WeakPolarHBondContact O-CG 3.17Å; F798-M810 HydrophobicContact CD1-SD 4.1Å; F798-M810 HydrophobicContact CE1-CE 3.77Å; F798-M810 HydrophobicContact CE1-SD 3.79Å
799	I	86.5	Confident	85.6	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-35.7	-179.7	-72.6	169	0	0	0	111.3	L795 E796 S797 T801 Q802 M807 M810 R811 M818	L795-I799 VanDerWaalsContact O-CB 3.3Å; L795-I799 WeakPolarHBondContact O-CB 3.4Å; L795-I799 WeakPolarHBondContact O-CD1 3.38Å; L795-I799 WeakPolarHBondContact O-CG1 3.45Å; L795-I799 PolarHBondContact O-N 3.16Å; E796-I799 PolarHBondContact O-N 3.23Å; S797-I799 PolarHBondContact O-N 3.47Å; I799-T801 VanDerWaalsContact C-N 3.32Å; I799-T801 PolarHBondContact O-N 3.41Å; I799-Q802 PolarHBondContact O-N 2.78Å; I799-M807 HydrophobicContact CG2-CG 3.58Å; I799-M807 WeakPolarHBondContact O-CE 3.49Å; I799-M810 HydrophobicContact CG1-CB 4.12Å; I799-R811 HydrophobicContact CD1-CG 4.29Å; I799-R811 HydrophobicContact CG2-CG 3.78Å; I799-M818 HydrophobicContact CD1-SD 3.81Å
800	Q	84	Confident	85.4	Confident	21 Å²	21	31.9 Å²	31.9	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-68	-29.6	179.8	-74.6	179.1	8.4	0	0	114	E478 V650 R652 E796 S797 F798 Q802	E478-Q800 VanDerWaalsContact CD-NE2 3.29Å; E478-Q800 PolarHBondContact OE1-NE2 3.43Å; E478-Q800 PolarHBondContact OE2-NE2 2.97Å; V650-Q800 HydrophobicContact CB-CB 4.3Å; V650-Q800 HydrophobicContact CG2-CB 4.22Å; R652-Q800 PolarHBondContact NH2-O 3Å; E796-Q800 VanDerWaalsContact O-CG 3.3Å; E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 3.36Å; E796-Q800 VanDerWaalsContact O-N 3.14Å; S797-Q800 PolarHBondContact O-N 3.33Å; F798-Q800 PolarHBondContact O-N 3.23Å; Q800-Q802 VanDerWaalsContact C-N 3.29Å; Q800-Q802 PolarHBondContact O-N 2.94Å
801	T	84.4	Confident	85.1	Confident	6 Å²	6	36.3 Å²	36.3	4%	0.037	17%	0.165	C	C	.	.	H	α-helix	trans	-77	-14.7	179.8	66.6	0	0	0	0	113.7	F631 F648 S797 F798 I799	F631-T801 HydrophobicContact CB-CG2 4.17Å; F631-T801 WeakPolarHBondContact CB-O 3.36Å; F631-T801 HydrophobicContact CD2-CG2 4.14Å; F631-T801 HydrophobicContact CG-CG2 4.03Å; F631-T801 PolarHBondContact N-O 3.4Å; F648-T801 HydrophobicContact CB-CG2 3.71Å; F648-T801 HydrophobicContact CD2-CG2 4.05Å; F648-T801 HydrophobicContact CG-CG2 3.89Å; S797-T801 PolarHBondContact O-N 3.37Å; F798-T801 PolarHBondContact O-N 3.11Å; F798-T801 VanDerWaalsContact O-N 3.16Å; F798-T801 PolarHBondContact O-OG1 3.42Å; I799-T801 VanDerWaalsContact C-N 3.32Å; I799-T801 PolarHBondContact O-N 3.41Å
802	Q	84.6	Confident	84.7	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.014	19%	0.194	C	C	.	.	S	Bend	trans	-83.9	157.7	-175.6	-60.8	-54.4	-29.6	0	0	113.5	F798 I799 Q800 V806 M807 M810	F798-Q802 HydrophobicContact CE1-CG 4.32Å; F798-Q802 WeakPolarHBondContact O-CG 3.17Å; I799-Q802 PolarHBondContact O-N 2.78Å; Q800-Q802 VanDerWaalsContact C-N 3.29Å; Q800-Q802 PolarHBondContact O-N 2.94Å; Q802-V806 HydrophobicContact CB-CB 4.23Å; Q802-V806 HydrophobicContact CB-CG1 4.09Å; Q802-V806 HydrophobicContact CG-CG1 4.31Å; Q802-M807 WeakPolarHBondContact O-CE 3.37Å; Q802-M810 HydrophobicContact CG-SD 3.98Å
803	K	83.6	Confident	84.5	Confident	80 Å²	80	46.9 Å²	46.9	35%	0.348	21%	0.212	S	C	.	.			trans	-55.7	148.7	171	-60.2	-176.4	-178.2	178.6	0	110.6	T630 S805 V806 M807	T630-K803 HydrophobicContact CG2-CD 4.31Å; T630-K803 HydrophobicContact CG2-CG 4.03Å; K803-S805 PolarHBondContact O-N 2.73Å; K803-V806 HydrophobicContact CB-CG2 4.02Å; K803-V806 WeakPolarHBondContact O-CB 3.24Å; K803-V806 PolarHBondContact O-N 3.22Å; K803-V806 VanDerWaalsContact O-N 3.12Å; K803-M807 WeakPolarHBondContact O-CB 3.27Å; K803-M807 PolarHBondContact O-N 2.9Å
804	Y	82.2	Confident	84.1	Confident	148 Å²	148	46.6 Å²	46.6	58%	0.58	21%	0.211	S	C	*	.	H	α-helix	trans	-53.2	-42.7	-175.4	-176	-96.8	0	0	0	115.2	A627 R808	A627-Y804 PolarHBondContact O-N 3.44Å; Y804-R808 PolarHBondContact O-N 3.4Å
805	S	82.2	Confident	83.4	Confident	85 Å²	85	48.4 Å²	48.4	59%	0.594	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-44.6	179.2	49.3	0	0	0	0	112.2	K803 R808 Q809	K803-S805 PolarHBondContact O-N 2.73Å; S805-R808 PolarHBondContact O-N 2.69Å; S805-Q809 PolarHBondContact O-N 2.92Å
806	V	83.6	Confident	82.7	Confident	10 Å²	10	56.4 Å²	56.4	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-68.4	-44.9	-178.9	-178	0	0	0	0	110.6	T753 Q802 K803 R808 Q809 M810	T753-V806 HydrophobicContact CG2-CB 3.79Å; T753-V806 HydrophobicContact CG2-CG1 3.36Å; T753-V806 HydrophobicContact CG2-CG2 3.1Å; Q802-V806 HydrophobicContact CB-CB 4.23Å; Q802-V806 HydrophobicContact CB-CG1 4.09Å; Q802-V806 HydrophobicContact CG-CG1 4.31Å; K803-V806 HydrophobicContact CB-CG2 4.02Å; K803-V806 WeakPolarHBondContact O-CB 3.24Å; K803-V806 PolarHBondContact O-N 3.22Å; K803-V806 VanDerWaalsContact O-N 3.12Å; V806-R808 PolarHBondContact O-N 3.33Å; V806-Q809 WeakPolarHBondContact O-CB 2.98Å; V806-Q809 PolarHBondContact O-N 2.93Å; V806-M810 HydrophobicContact CG1-CE 3.8Å; V806-M810 HydrophobicContact CG1-CG 4.15Å; V806-M810 HydrophobicContact CG1-SD 4.02Å; V806-M810 PolarHBondContact O-N 2.84Å
807	M	82.6	Confident	82	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.039	27%	0.267	C	S	.	.	H	α-helix	trans	-51.7	-44.9	175.3	-177.3	-174.8	-63.8	0	0	111.1	I799 Q802 K803 R811	I799-M807 HydrophobicContact CG2-CG 3.58Å; I799-M807 WeakPolarHBondContact O-CE 3.49Å; Q802-M807 WeakPolarHBondContact O-CE 3.37Å; K803-M807 WeakPolarHBondContact O-CB 3.27Å; K803-M807 PolarHBondContact O-N 2.9Å; M807-R811 WeakPolarHBondContact O-CB 3.48Å; M807-R811 VanDerWaalsContact O-CG 3.3Å; M807-R811 WeakPolarHBondContact O-CG 3.5Å; M807-R811 PolarHBondContact O-N 3.39Å
808	R	82.5	Confident	81.3	Confident	136 Å²	136	60.1 Å²	60.1	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-68.1	-38.1	178.5	-167.6	177.2	-174.4	-172.4	1	112.5	Y804 S805 V806 R812	Y804-R808 PolarHBondContact O-N 3.4Å; S805-R808 PolarHBondContact O-N 2.69Å; V806-R808 PolarHBondContact O-N 3.33Å; R808-R812 WeakPolarHBondContact O-CG 3.49Å; R808-R812 PolarHBondContact O-N 3Å
809	Q	84.4	Confident	80.3	Confident	94 Å²	94	62 Å²	62	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-65.8	-50.3	175.5	177.5	175.1	-22.1	0	0	111.2	E749 S805 V806 R811 R812 V813	E749-Q809 PolarHBondContact OE2-NE2 3.25Å; S805-Q809 PolarHBondContact O-N 2.92Å; V806-Q809 WeakPolarHBondContact O-CB 2.98Å; V806-Q809 PolarHBondContact O-N 2.93Å; Q809-R811 PolarHBondContact O-N 2.73Å; Q809-R812 WeakPolarHBondContact O-CB 3.36Å; Q809-R812 PolarHBondContact O-N 2.83Å; Q809-V813 PolarHBondContact O-N 3.4Å; Q809-V813 VanDerWaalsContact O-N 3.11Å
810	M	83.1	Confident	79.1	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-42.1	179.8	-73	-171.7	172.5	0	0	111.9	E749 F798 I799 Q802 V806 R812 V813 F814	E749-M810 HydrophobicContact CB-CE 4.11Å; F798-M810 HydrophobicContact CD1-SD 4.1Å; F798-M810 HydrophobicContact CE1-CE 3.77Å; F798-M810 HydrophobicContact CE1-SD 3.79Å; I799-M810 HydrophobicContact CG1-CB 4.12Å; Q802-M810 HydrophobicContact CG-SD 3.98Å; V806-M810 HydrophobicContact CG1-CE 3.8Å; V806-M810 HydrophobicContact CG1-CG 4.15Å; V806-M810 HydrophobicContact CG1-SD 4.02Å; V806-M810 PolarHBondContact O-N 2.84Å; M810-R812 PolarHBondContact O-N 3.49Å; M810-V813 PolarHBondContact O-N 3.39Å; M810-F814 HydrophobicContact CB-CD2 4.15Å; M810-F814 HydrophobicContact CB-CE2 4.42Å; M810-F814 HydrophobicContact CG-CE2 4.43Å; M810-F814 WeakPolarHBondContact O-CB 3.31Å; M810-F814 VanDerWaalsContact O-CD2 3.26Å; M810-F814 WeakPolarHBondContact O-CD2 3.31Å; M810-F814 PolarHBondContact O-N 2.92Å
811	R	82.9	Confident	77.9	Confident	95 Å²	95	68.8 Å²	68.8	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-57.7	-34	174.6	-77.4	-178.4	-175.1	-170.6	0.5	113	I799 M807 Q809 S815 M818	I799-R811 HydrophobicContact CD1-CG 4.29Å; I799-R811 HydrophobicContact CG2-CG 3.78Å; M807-R811 WeakPolarHBondContact O-CB 3.48Å; M807-R811 VanDerWaalsContact O-CG 3.3Å; M807-R811 WeakPolarHBondContact O-CG 3.5Å; M807-R811 PolarHBondContact O-N 3.39Å; Q809-R811 PolarHBondContact O-N 2.73Å; R811-S815 WeakPolarHBondContact O-CA 3.26Å; R811-S815 WeakPolarHBondContact O-CB 3.45Å; R811-S815 PolarHBondContact O-N 3.4Å; R811-S815 VanDerWaalsContact O-N 3.09Å; R811-M818 HydrophobicContact CG-SD 4.18Å
812	R	81.4	Confident	76.8	Confident	167 Å²	167	71.8 Å²	71.8	63%	0.63	34%	0.339	S	S	*	.	H	α-helix	trans	-71.9	-46.3	176.4	-69.1	172.4	-177.9	164.2	-2.2	111.6	R808 Q809 M810 S815	R808-R812 WeakPolarHBondContact O-CG 3.49Å; R808-R812 PolarHBondContact O-N 3Å; Q809-R812 WeakPolarHBondContact O-CB 3.36Å; Q809-R812 PolarHBondContact O-N 2.83Å; M810-R812 PolarHBondContact O-N 3.49Å; R812-S815 WeakPolarHBondContact O-CB 3.47Å; R812-S815 PolarHBondContact O-N 3.23Å
813	V	82.5	Confident	75.8	Confident	70 Å²	70	76.4 Å²	76.4	42%	0.424	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-46.1	-179.6	177.1	0	0	0	0	110.7	Q809 M810	Q809-V813 PolarHBondContact O-N 3.4Å; Q809-V813 VanDerWaalsContact O-N 3.11Å; M810-V813 PolarHBondContact O-N 3.39Å
814	F	80.9	Confident	75	Confident	4 Å²	4	77.5 Å²	77.5	2%	0.018	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.9	-176.3	-61.9	-68.6	0	0	0	114.2	L742 D745 M746 E749 L795 M810 K816 Y817 M818	L742-F814 HydrophobicContact CD1-CD1 4.29Å; L742-F814 HydrophobicContact CD1-CE1 4.13Å; D745-F814 HydrophobicContact CB-CE1 4.1Å; D745-F814 HydrophobicContact CB-CZ 4.4Å; M746-F814 HydrophobicContact CG-CE1 4.29Å; M746-F814 HydrophobicContact CG-CZ 4.06Å; E749-F814 HydrophobicContact CG-CE2 4.3Å; E749-F814 HydrophobicContact CG-CZ 4.23Å; L795-F814 HydrophobicContact CD1-CB 4.36Å; L795-F814 HydrophobicContact CD1-CD1 4.4Å; L795-F814 HydrophobicContact CD2-CD1 4.2Å; L795-F814 HydrophobicContact CD2-CD2 4.34Å; L795-F814 HydrophobicContact CD2-CE1 4.5Å; L795-F814 HydrophobicContact CD2-CG 4.14Å; M810-F814 HydrophobicContact CB-CD2 4.15Å; M810-F814 HydrophobicContact CB-CE2 4.42Å; M810-F814 HydrophobicContact CG-CE2 4.43Å; M810-F814 WeakPolarHBondContact O-CB 3.31Å; M810-F814 VanDerWaalsContact O-CD2 3.26Å; M810-F814 WeakPolarHBondContact O-CD2 3.31Å; M810-F814 PolarHBondContact O-N 2.92Å; F814-K816 PolarHBondContact O-N 3.25Å; F814-Y817 AromaticContact CD1-CD2 4Å; F814-Y817 HydrophobicContact CD1-CD2 4Å; F814-Y817 HydrophobicContact CD1-CE2 4.33Å; F814-Y817 PolarHBondContact O-N 3.42Å; F814-M818 PolarHBondContact O-N 3.21Å; F814-M818 VanDerWaalsContact O-N 3.11Å
815	S	73.8	Confident	74.4	Confident	46 Å²	46	72.9 Å²	72.9	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-53.2	-32.2	-179.6	-175.7	0	0	0	0	112.6	R811 R812 Y817 M818 S819	R811-S815 WeakPolarHBondContact O-CA 3.26Å; R811-S815 WeakPolarHBondContact O-CB 3.45Å; R811-S815 PolarHBondContact O-N 3.4Å; R811-S815 VanDerWaalsContact O-N 3.09Å; R812-S815 WeakPolarHBondContact O-CB 3.47Å; R812-S815 PolarHBondContact O-N 3.23Å; S815-Y817 VanDerWaalsContact C-N 3.35Å; S815-Y817 PolarHBondContact O-N 3.24Å; S815-M818 PolarHBondContact O-N 3.4Å; S815-S819 WeakPolarHBondContact O-CB 3.21Å; S815-S819 PolarHBondContact O-N 3.49Å; S815-S819 VanDerWaalsContact O-N 3.08Å; S815-S819 PolarHBondContact O-OG 3.45Å
816	K	73.9	Confident	73.8	Confident	169 Å²	169	73.1 Å²	73.1	74%	0.735	35%	0.35	S	S	*	.	H	α-helix	trans	-63.6	-37	177.8	-175.3	-178.7	177.4	-174.7	0	113.1	F814 S819	F814-K816 PolarHBondContact O-N 3.25Å; K816-S819 PolarHBondContact O-OG 2.94Å
817	Y	71.8	Confident	73.2	Confident	68 Å²	68	74.1 Å²	74.1	27%	0.267	35%	0.354	S	S	.	.	H	α-helix	trans	-84.2	-31.5	179.6	-61.1	-75.9	0	0	0	111.3	M791 L795 F814 S815	M791-Y817 HydrophobicContact CE-CD1 4.12Å; M791-Y817 HydrophobicContact CE-CE1 4.03Å; L795-Y817 HydrophobicContact CD1-CG 4.4Å; F814-Y817 AromaticContact CD1-CD2 4Å; F814-Y817 HydrophobicContact CD1-CD2 4Å; F814-Y817 HydrophobicContact CD1-CE2 4.33Å; F814-Y817 PolarHBondContact O-N 3.42Å; S815-Y817 VanDerWaalsContact C-N 3.35Å; S815-Y817 PolarHBondContact O-N 3.24Å
818	M	70.9	Confident	72.9	Confident	33 Å²	33	73.9 Å²	73.9	16%	0.163	35%	0.353	C	S	.	.	H	α-helix	trans	-72.4	-32.1	178.5	-67	-172.6	76.6	0	0	113.6	E796 I799 R811 F814 S815 F820	E796-M818 HydrophobicContact CG-CE 4.13Å; I799-M818 HydrophobicContact CD1-SD 3.81Å; R811-M818 HydrophobicContact CG-SD 4.18Å; F814-M818 PolarHBondContact O-N 3.21Å; F814-M818 VanDerWaalsContact O-N 3.11Å; S815-M818 PolarHBondContact O-N 3.4Å; M818-F820 PolarHBondContact O-N 2.81Å
819	S	65.2	Low	72.7	Confident	56 Å²	56	68.1 Å²	68.1	39%	0.392	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.6	-178.9	59.7	0	0	0	0	113.9	S815 K816 T821	S815-S819 WeakPolarHBondContact O-CB 3.21Å; S815-S819 PolarHBondContact O-N 3.49Å; S815-S819 VanDerWaalsContact O-N 3.08Å; S815-S819 PolarHBondContact O-OG 3.45Å; K816-S819 PolarHBondContact O-OG 2.94Å; S819-T821 PolarHBondContact O-N 3.33Å
820	F	59.7	Low	72.1	Confident	76 Å²	76	69.9 Å²	69.9	33%	0.333	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	125	179.5	-167.1	-103	0	0	0	110.3	S788 R792 M818 Q822	S788-F820 VanDerWaalsContact CB-CD1 3.4Å; R792-F820 PolarHBondContact NH1-O 3.32Å; M818-F820 PolarHBondContact O-N 2.81Å; F820-Q822 VanDerWaalsContact C-N 3.25Å; F820-Q822 PolarHBondContact O-N 2.95Å
821	T	60	Low	71.8	Confident	89 Å²	89	70.7 Å²	70.7	55%	0.546	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	14.7	-179.1	63.6	0	0	0	0	117.7	R792 S819	R792-T821 PolarHBondContact NH1-OG1 3.27Å; S819-T821 PolarHBondContact O-N 3.33Å
822	Q	60.3	Low	71.8	Confident	69 Å²	69	66.1 Å²	66.1	32%	0.322	32%	0.323	S	S	.	.			trans	-78.5	131.8	162.3	-70	-168.5	-0.7	0	0	109	F820 N824 L827	F820-Q822 VanDerWaalsContact C-N 3.25Å; F820-Q822 PolarHBondContact O-N 2.95Å; Q822-N824 PolarHBondContact O-N 2.82Å; Q822-L827 HydrophobicContact CB-CD1 4.26Å; Q822-L827 HydrophobicContact CB-CG 4.14Å
823	D	64.4	Low	71.7	Confident	99 Å²	99	60 Å²	60	53%	0.529	30%	0.301	S	S	.	.			trans	-55.9	130	172.1	-69	-34	0	0	0	109.1	N825 H826 L827	D823-N825 PolarHBondContact O-N 3.33Å; D823-H826 HydrophobicContact CB-CB 4.35Å; D823-H826 WeakPolarHBondContact O-CA 3.31Å; D823-H826 WeakPolarHBondContact O-CB 3.11Å; D823-H826 PolarHBondContact O-N 3.4Å; D823-H826 IonicContact OD2-CD2 3.47Å; D823-L827 PolarHBondContact O-N 2.92Å
824	N	67.5	Low	71.6	Confident	103 Å²	103	59.5 Å²	59.5	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-51.8	-31.5	176	-68.3	-30.3	0	0	0	111.5	Q822 L827 L828 I874	Q822-N824 PolarHBondContact O-N 2.82Å; N824-L827 PolarHBondContact O-N 2.78Å; N824-L828 WeakPolarHBondContact O-CB 3.43Å; N824-L828 VanDerWaalsContact O-CG 3.31Å; N824-L828 WeakPolarHBondContact O-CG 3.06Å; N824-L828 PolarHBondContact O-N 3.44Å; N824-I874 HydrophobicContact CB-CD1 4.49Å
825	N	68.2	Low	71.7	Confident	52 Å²	52	59.5 Å²	59.5	28%	0.278	30%	0.295	S	S	.	.	H	α-helix	trans	-66.7	-39.7	176.3	-61.2	-21.5	0	0	0	112.4	D823 L828 L829 F880 L885	D823-N825 PolarHBondContact O-N 3.33Å; N825-L828 PolarHBondContact O-N 2.92Å; N825-L829 VanDerWaalsContact O-CB 3.31Å; N825-L829 WeakPolarHBondContact O-CB 3.5Å; N825-L829 PolarHBondContact O-N 3.41Å; N825-F880 HydrophobicContact CB-CD2 4.11Å; N825-F880 WeakPolarHBondContact O-CE2 3.35Å; N825-L885 HydrophobicContact CB-CD1 3.69Å
826	H	69.7	Low	72.1	Confident	90 Å²	90	57.4 Å²	57.4	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-67.9	-39.3	176.3	-87.7	-74.4	0	0	0	111.8	D823 L829 Y830	D823-H826 HydrophobicContact CB-CB 4.35Å; D823-H826 WeakPolarHBondContact O-CA 3.31Å; D823-H826 WeakPolarHBondContact O-CB 3.11Å; D823-H826 PolarHBondContact O-N 3.4Å; D823-H826 IonicContact OD2-CD2 3.47Å; H826-L829 PolarHBondContact O-N 2.91Å; H826-Y830 PolarHBondContact O-N 2.73Å
827	L	70.5	Confident	72.3	Confident	30 Å²	30	53.4 Å²	53.4	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-46.3	173.8	-75.1	168.4	0	0	0	111.9	Q822 D823 N824 L829 Y830 L831	Q822-L827 HydrophobicContact CB-CD1 4.26Å; Q822-L827 HydrophobicContact CB-CG 4.14Å; D823-L827 PolarHBondContact O-N 2.92Å; N824-L827 PolarHBondContact O-N 2.78Å; L827-L829 VanDerWaalsContact C-N 3.33Å; L827-L829 PolarHBondContact O-N 3.44Å; L827-Y830 PolarHBondContact O-N 2.92Å; L827-L831 WeakPolarHBondContact O-CG 3.42Å; L827-L831 PolarHBondContact O-N 3.39Å
828	L	76.9	Confident	72.8	Confident	3 Å²	3	54.1 Å²	54.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-40.4	176.3	-73.9	173.5	0	0	0	111.8	N824 N825 L831 L832 A869 I874 L877 F880	N824-L828 WeakPolarHBondContact O-CB 3.43Å; N824-L828 VanDerWaalsContact O-CG 3.31Å; N824-L828 WeakPolarHBondContact O-CG 3.06Å; N824-L828 PolarHBondContact O-N 3.44Å; N825-L828 PolarHBondContact O-N 2.92Å; L828-L831 PolarHBondContact O-N 3.45Å; L828-L832 VanDerWaalsContact O-CB 3.31Å; L828-L832 WeakPolarHBondContact O-CB 3.27Å; L828-L832 PolarHBondContact O-N 3.47Å; L828-A869 HydrophobicContact CD2-CB 3.95Å; L828-I874 HydrophobicContact CD1-CG2 4.26Å; L828-I874 HydrophobicContact CD2-CD1 4.38Å; L828-I874 HydrophobicContact CD2-CG2 4.31Å; L828-I874 HydrophobicContact CG-CD1 4.36Å; L828-L877 HydrophobicContact CD1-CD2 4.25Å; L828-L877 HydrophobicContact CD2-CD2 3.72Å; L828-F880 HydrophobicContact CB-CD1 4.13Å; L828-F880 HydrophobicContact CB-CD2 3.78Å; L828-F880 HydrophobicContact CB-CE1 4.16Å; L828-F880 HydrophobicContact CB-CE2 3.84Å; L828-F880 HydrophobicContact CB-CG 3.93Å; L828-F880 HydrophobicContact CB-CZ 4.03Å; L828-F880 HydrophobicContact CD1-CB 3.61Å; L828-F880 HydrophobicContact CD1-CD1 4.36Å; L828-F880 HydrophobicContact CD1-CD2 4.08Å; L828-F880 HydrophobicContact CD1-CG 3.76Å
829	L	77.8	Confident	73.2	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-41.9	175	-175.7	71.5	0	0	0	111.9	N825 H826 L827 L832 K833 F880 N889 F891	N825-L829 VanDerWaalsContact O-CB 3.31Å; N825-L829 WeakPolarHBondContact O-CB 3.5Å; N825-L829 PolarHBondContact O-N 3.41Å; H826-L829 PolarHBondContact O-N 2.91Å; L827-L829 VanDerWaalsContact C-N 3.33Å; L827-L829 PolarHBondContact O-N 3.44Å; L829-L832 PolarHBondContact O-N 3.38Å; L829-K833 WeakPolarHBondContact O-CB 3.43Å; L829-K833 PolarHBondContact O-N 2.93Å; L829-F880 HydrophobicContact CB-CE2 4.02Å; L829-F880 HydrophobicContact CB-CZ 4Å; L829-F880 HydrophobicContact CD1-CZ 4.19Å; L829-N889 HydrophobicContact CD1-CB 4.18Å; L829-N889 VanDerWaalsContact CD1-ND2 3.34Å; L829-N889 WeakPolarHBondContact CD1-ND2 3.4Å; L829-N889 WeakPolarHBondContact CD2-ND2 3.32Å; L829-F891 HydrophobicContact CD1-CD2 4.25Å; L829-F891 HydrophobicContact CD1-CE2 3.89Å
830	Y	72.8	Confident	73.8	Confident	131 Å²	131	54.3 Å²	54.3	51%	0.514	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-46.8	176.9	177.9	-99.1	0	0	0	111.7	H826 L827 L832 K833 Q834	H826-Y830 PolarHBondContact O-N 2.73Å; L827-Y830 PolarHBondContact O-N 2.92Å; Y830-L832 VanDerWaalsContact C-N 3.27Å; Y830-L832 PolarHBondContact O-N 2.96Å; Y830-K833 PolarHBondContact O-N 3.43Å; Y830-Q834 PolarHBondContact O-N 3.11Å
831	L	77.7	Confident	74.7	Confident	19 Å²	19	59.5 Å²	59.5	10%	0.099	29%	0.285	C	S	.	.	H	α-helix	trans	-59.8	-41.4	175.5	-71.2	-178.4	0	0	0	111.7	L827 L828 Q834 C835 L865 K868 L872	L827-L831 WeakPolarHBondContact O-CG 3.42Å; L827-L831 PolarHBondContact O-N 3.39Å; L828-L831 PolarHBondContact O-N 3.45Å; L831-Q834 WeakPolarHBondContact O-CB 3.27Å; L831-Q834 PolarHBondContact O-N 3.11Å; L831-C835 PolarHBondContact O-N 3.24Å; L831-C835 PolarHBondContact O-SG 3.1Å; L831-C835 VanDerWaalsContact O-SG 3.33Å; L831-L865 HydrophobicContact CB-CD1 4.06Å; L831-K868 HydrophobicContact CD1-CB 4.12Å; L831-K868 HydrophobicContact CD2-CB 4.19Å; L831-L872 HydrophobicContact CD1-CD1 3.63Å; L831-L872 HydrophobicContact CD1-CG 4.46Å; L831-L872 HydrophobicContact CG-CD1 4.26Å
832	L	82.2	Confident	75.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.1	-48.2	179	-164.8	153.3	0	0	0	111.6	L828 L829 Y830 Q834 C835 V836 L865 F880 F886 F891 I900	L828-L832 VanDerWaalsContact O-CB 3.31Å; L828-L832 WeakPolarHBondContact O-CB 3.27Å; L828-L832 PolarHBondContact O-N 3.47Å; L829-L832 PolarHBondContact O-N 3.38Å; Y830-L832 VanDerWaalsContact C-N 3.27Å; Y830-L832 PolarHBondContact O-N 2.96Å; L832-Q834 PolarHBondContact O-N 2.77Å; L832-C835 WeakPolarHBondContact O-CB 3.36Å; L832-C835 PolarHBondContact O-N 2.66Å; L832-C835 VanDerWaalsContact O-N 3.1Å; L832-V836 HydrophobicContact CD2-CG2 3.93Å; L832-V836 VanDerWaalsContact O-CG2 3.29Å; L832-V836 WeakPolarHBondContact O-CG2 3.16Å; L832-V836 PolarHBondContact O-N 3.03Å; L832-L865 HydrophobicContact CB-CD1 3.86Å; L832-L865 HydrophobicContact CD1-CD1 4.49Å; L832-L865 HydrophobicContact CD1-CD2 3.86Å; L832-L865 HydrophobicContact CG-CD1 4.36Å; L832-F880 HydrophobicContact CD1-CE1 3.77Å; L832-F880 HydrophobicContact CD1-CZ 4.38Å; L832-F886 HydrophobicContact CD1-CD2 4.34Å; L832-F886 HydrophobicContact CD1-CE2 3.84Å; L832-F891 HydrophobicContact CD2-CD1 3.49Å; L832-F891 VanDerWaalsContact CD2-CD1 3.49Å; L832-F891 HydrophobicContact CD2-CD2 3.94Å; L832-F891 HydrophobicContact CD2-CE1 3.07Å; L832-F891 HydrophobicContact CD2-CE2 3.58Å; L832-F891 HydrophobicContact CD2-CG 3.91Å; L832-F891 HydrophobicContact CD2-CZ 3.16Å; L832-I900 HydrophobicContact CD1-CD1 3.9Å; L832-I900 HydrophobicContact CD1-CG2 4.21Å
833	K	79.3	Confident	76.6	Confident	38 Å²	38	59.2 Å²	59.2	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-55.3	-40.5	172.2	-82.3	-162	171.1	-151.2	0	111.5	D656 E659 L829 Y830 V836 N837	D656-K833 IonicContact OD2-NZ 3.53Å; D656-K833 PolarHBondContact OD2-NZ 2.9Å; E659-K833 IonicContact OE1-NZ 3.95Å; E659-K833 PolarHBondContact OE1-NZ 2.73Å; L829-K833 WeakPolarHBondContact O-CB 3.43Å; L829-K833 PolarHBondContact O-N 2.93Å; Y830-K833 PolarHBondContact O-N 3.43Å; K833-V836 PolarHBondContact O-N 3.46Å; K833-N837 WeakPolarHBondContact O-CB 3.4Å; K833-N837 PolarHBondContact O-N 2.97Å
834	Q	81	Confident	77.1	Confident	60 Å²	60	57.1 Å²	57.1	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-44.5	176.3	-167.7	-169.3	-25.2	0	0	111.8	Y830 L831 L832 V836 N837 E838	Y830-Q834 PolarHBondContact O-N 3.11Å; L831-Q834 WeakPolarHBondContact O-CB 3.27Å; L831-Q834 PolarHBondContact O-N 3.11Å; L832-Q834 PolarHBondContact O-N 2.77Å; Q834-V836 VanDerWaalsContact C-N 3.32Å; Q834-V836 PolarHBondContact O-N 3.35Å; Q834-N837 PolarHBondContact O-N 3.14Å; Q834-E838 PolarHBondContact NE2-OE1 3.38Å; Q834-E838 WeakPolarHBondContact O-CB 3.34Å; Q834-E838 WeakPolarHBondContact O-CG 3.39Å; Q834-E838 PolarHBondContact O-N 3.07Å
835	C	81.9	Confident	77.5	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-41.9	174.4	-67.1	0	0	0	0	111.9	L831 L832 E838 Q839 V860 K868	L831-C835 PolarHBondContact O-N 3.24Å; L831-C835 PolarHBondContact O-SG 3.1Å; L831-C835 VanDerWaalsContact O-SG 3.33Å; L832-C835 WeakPolarHBondContact O-CB 3.36Å; L832-C835 PolarHBondContact O-N 2.66Å; L832-C835 VanDerWaalsContact O-N 3.1Å; C835-E838 PolarHBondContact O-N 3.41Å; C835-Q839 WeakPolarHBondContact O-CG 3.46Å; C835-Q839 PolarHBondContact O-N 3.03Å; C835-V860 HydrophobicContact CB-CG1 3.79Å; C835-K868 PolarHBondContact SG-NZ 2.92Å
836	V	81.7	Confident	78	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-51.8	175.6	173.7	0	0	0	0	110.2	L832 K833 Q834 E838 Q839 I840 I858 V860 F891 Q902	L832-V836 HydrophobicContact CD2-CG2 3.93Å; L832-V836 VanDerWaalsContact O-CG2 3.29Å; L832-V836 WeakPolarHBondContact O-CG2 3.16Å; L832-V836 PolarHBondContact O-N 3.03Å; K833-V836 PolarHBondContact O-N 3.46Å; Q834-V836 VanDerWaalsContact C-N 3.32Å; Q834-V836 PolarHBondContact O-N 3.35Å; V836-E838 PolarHBondContact O-N 3.15Å; V836-Q839 CarbonylContact O-C 3.58Å; V836-Q839 WeakPolarHBondContact O-CA 3.39Å; V836-Q839 WeakPolarHBondContact O-CB 3.34Å; V836-Q839 PolarHBondContact O-N 3.46Å; V836-I840 HydrophobicContact CG1-CD1 3.76Å; V836-I840 HydrophobicContact CG1-CG1 4.1Å; V836-I840 WeakPolarHBondContact O-CG1 3.44Å; V836-I840 PolarHBondContact O-N 2.91Å; V836-I858 HydrophobicContact CG1-CD1 3.84Å; V836-I858 HydrophobicContact CG1-CG2 4.16Å; V836-V860 HydrophobicContact CB-CG2 4.44Å; V836-V860 HydrophobicContact CG2-CG2 3.76Å; V836-F891 HydrophobicContact CG2-CE1 3.69Å; V836-F891 HydrophobicContact CG2-CZ 4.11Å; V836-Q902 VanDerWaalsContact CG2-OE1 3.24Å
837	N	78.4	Confident	78	Confident	85 Å²	85	60.1 Å²	60.1	46%	0.455	29%	0.292	S	S	.	.	H	α-helix	trans	-61.1	-36.2	-177.9	-77.7	-15.3	0	0	0	112	K833 Q834 R841	K833-N837 WeakPolarHBondContact O-CB 3.4Å; K833-N837 PolarHBondContact O-N 2.97Å; Q834-N837 PolarHBondContact O-N 3.14Å; N837-R841 WeakPolarHBondContact O-CB 3.2Å; N837-R841 PolarHBondContact O-N 3.04Å
838	E	81.8	Confident	77.7	Confident	83 Å²	83	69 Å²	69	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-45.4	170.4	-75.3	167.5	-172.8	0	0	111.1	Q834 C835 V836 R841 I842 K868	Q834-E838 PolarHBondContact NE2-OE1 3.38Å; Q834-E838 WeakPolarHBondContact O-CB 3.34Å; Q834-E838 WeakPolarHBondContact O-CG 3.39Å; Q834-E838 PolarHBondContact O-N 3.07Å; C835-E838 PolarHBondContact O-N 3.41Å; V836-E838 PolarHBondContact O-N 3.15Å; E838-R841 PolarHBondContact O-N 3.33Å; E838-I842 WeakPolarHBondContact O-CD1 3.39Å; E838-I842 VanDerWaalsContact O-CG1 3.24Å; E838-I842 WeakPolarHBondContact O-CG1 3.39Å; E838-I842 PolarHBondContact O-N 2.8Å; E838-K868 IonicContact OE1-NZ 2.82Å; E838-K868 IonicContact OE2-NZ 3.62Å; E838-K868 PolarHBondContact OE2-NZ 2.98Å
839	Q	80.8	Confident	76.9	Confident	47 Å²	47	73.5 Å²	73.5	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-39.4	176.3	-70.9	-62.7	-20.1	0	0	113.6	C835 V836 I842 K843 I858 V860	C835-Q839 WeakPolarHBondContact O-CG 3.46Å; C835-Q839 PolarHBondContact O-N 3.03Å; V836-Q839 CarbonylContact O-C 3.58Å; V836-Q839 WeakPolarHBondContact O-CA 3.39Å; V836-Q839 WeakPolarHBondContact O-CB 3.34Å; V836-Q839 PolarHBondContact O-N 3.46Å; Q839-I842 PolarHBondContact O-N 2.74Å; Q839-K843 WeakPolarHBondContact O-CB 3.23Å; Q839-K843 WeakPolarHBondContact O-CG 3.46Å; Q839-K843 PolarHBondContact O-N 3.37Å; Q839-I858 HydrophobicContact CB-CG2 3.94Å; Q839-V860 HydrophobicContact CG-CG2 4.17Å
840	I	77.9	Confident	76	Confident	47 Å²	47	79.4 Å²	79.4	24%	0.241	39%	0.387	C	S	.	.	H	α-helix	trans	-57.4	-53.5	172.5	-69	171.6	0	0	0	108.4	V836 I842 K843 T844 I858	V836-I840 HydrophobicContact CG1-CD1 3.76Å; V836-I840 HydrophobicContact CG1-CG1 4.1Å; V836-I840 WeakPolarHBondContact O-CG1 3.44Å; V836-I840 PolarHBondContact O-N 2.91Å; I840-I842 VanDerWaalsContact C-N 3.28Å; I840-I842 PolarHBondContact O-N 3.22Å; I840-K843 PolarHBondContact O-N 3.48Å; I840-K843 VanDerWaalsContact O-N 3.1Å; I840-T844 WeakPolarHBondContact O-CB 3.43Å; I840-T844 PolarHBondContact O-N 2.86Å; I840-T844 PolarHBondContact O-OG1 3.32Å; I840-I858 HydrophobicContact CD1-CD1 3.48Å; I840-I858 VanDerWaalsContact CD1-CD1 3.48Å; I840-I858 HydrophobicContact CG1-CD1 3.26Å; I840-I858 HydrophobicContact CG1-CG1 3.99Å
841	R	78.1	Confident	75.5	Confident	184 Å²	184	77.8 Å²	77.8	69%	0.694	39%	0.388	S	S	*	.	H	α-helix	trans	-59	-40	-178.4	-170.8	178.8	178.8	-164.2	-0.7	112.3	N837 E838 N845	N837-R841 WeakPolarHBondContact O-CB 3.2Å; N837-R841 PolarHBondContact O-N 3.04Å; E838-R841 PolarHBondContact O-N 3.33Å; R841-N845 WeakPolarHBondContact O-CB 3.29Å; R841-N845 VanDerWaalsContact O-CG 3.24Å; R841-N845 PolarHBondContact O-N 2.89Å; R841-N845 VanDerWaalsContact O-N 3.14Å; R841-N845 PolarHBondContact O-ND2 3.31Å
842	I	81.5	Confident	74.6	Confident	93 Å²	93	79 Å²	79	48%	0.477	40%	0.396	S	S	.	.	H	α-helix	trans	-63.3	-50.9	175.2	-68.9	163.3	0	0	0	110.2	E838 Q839 I840 T844 N845 V846	E838-I842 WeakPolarHBondContact O-CD1 3.39Å; E838-I842 VanDerWaalsContact O-CG1 3.24Å; E838-I842 WeakPolarHBondContact O-CG1 3.39Å; E838-I842 PolarHBondContact O-N 2.8Å; Q839-I842 PolarHBondContact O-N 2.74Å; I840-I842 VanDerWaalsContact C-N 3.28Å; I840-I842 PolarHBondContact O-N 3.22Å; I842-T844 PolarHBondContact O-N 2.98Å; I842-N845 PolarHBondContact O-N 3.1Å; I842-V846 VanDerWaalsContact O-CG2 3.28Å; I842-V846 WeakPolarHBondContact O-CG2 3.42Å; I842-V846 PolarHBondContact O-N 2.98Å; I842-V846 VanDerWaalsContact O-N 3.16Å
843	K	77.7	Confident	73.5	Confident	59 Å²	59	86.7 Å²	86.7	26%	0.257	44%	0.436	S	S	.	.	H	α-helix	trans	-64.3	-41.5	-178.9	-72.5	-172.1	178.4	-173.2	0	112.2	Q839 I840 N845 V846 L847 M855	Q839-K843 WeakPolarHBondContact O-CB 3.23Å; Q839-K843 WeakPolarHBondContact O-CG 3.46Å; Q839-K843 PolarHBondContact O-N 3.37Å; I840-K843 PolarHBondContact O-N 3.48Å; I840-K843 VanDerWaalsContact O-N 3.1Å; K843-N845 VanDerWaalsContact C-N 3.3Å; K843-N845 PolarHBondContact O-N 3.31Å; K843-V846 PolarHBondContact O-N 3.03Å; K843-V846 VanDerWaalsContact O-N 3.14Å; K843-L847 HydrophobicContact CB-CD1 4.27Å; K843-L847 WeakPolarHBondContact O-CB 3.08Å; K843-L847 WeakPolarHBondContact O-CD1 3.37Å; K843-L847 PolarHBondContact O-N 3.37Å; K843-M855 HydrophobicContact CB-CE 3.58Å; K843-M855 HydrophobicContact CB-SD 4.3Å; K843-M855 HydrophobicContact CD-CE 4.5Å
844	T	75.1	Confident	72.5	Confident	55 Å²	55	87.4 Å²	87.4	34%	0.337	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-36.4	176.5	-56.5	0	0	0	0	112.2	I840 I842 V846 V852	I840-T844 WeakPolarHBondContact O-CB 3.43Å; I840-T844 PolarHBondContact O-N 2.86Å; I840-T844 PolarHBondContact O-OG1 3.32Å; I842-T844 PolarHBondContact O-N 2.98Å; T844-V846 VanDerWaalsContact C-N 3.34Å; T844-V852 HydrophobicContact CG2-CG1 4.08Å; T844-V852 HydrophobicContact CG2-CG2 4.34Å
845	N	77.1	Confident	71.8	Confident	128 Å²	128	86.3 Å²	86.3	68%	0.684	45%	0.449	S	S	*	.	H	α-helix	trans	-73.8	-25.3	176.2	-73.6	-17.4	0	0	0	113.2	R841 I842 K843	R841-N845 WeakPolarHBondContact O-CB 3.29Å; R841-N845 VanDerWaalsContact O-CG 3.24Å; R841-N845 PolarHBondContact O-N 2.89Å; R841-N845 VanDerWaalsContact O-N 3.14Å; R841-N845 PolarHBondContact O-ND2 3.31Å; I842-N845 PolarHBondContact O-N 3.1Å; K843-N845 VanDerWaalsContact C-N 3.3Å; K843-N845 PolarHBondContact O-N 3.31Å
846	V	78.7	Confident	71.2	Confident	117 Å²	117	94.2 Å²	94.2	71%	0.709	48%	0.483	S	S	*	.	H	α-helix	trans	-87.1	-33.1	-178.8	172.3	0	0	0	0	111.9	I842 K843 T844	I842-V846 VanDerWaalsContact O-CG2 3.28Å; I842-V846 WeakPolarHBondContact O-CG2 3.42Å; I842-V846 PolarHBondContact O-N 2.98Å; I842-V846 VanDerWaalsContact O-N 3.16Å; K843-V846 PolarHBondContact O-N 3.03Å; K843-V846 VanDerWaalsContact O-N 3.14Å; T844-V846 VanDerWaalsContact C-N 3.34Å
847	L	69	Low	70.9	Confident	64 Å²	64	96.7 Å²	96.7	34%	0.335	50%	0.5	S	S	.	.	S	Bend	trans	-92	141.4	-175.6	-76.2	148.5	0	0	0	111.7	K843 D851 V852 M855	K843-L847 HydrophobicContact CB-CD1 4.27Å; K843-L847 WeakPolarHBondContact O-CB 3.08Å; K843-L847 WeakPolarHBondContact O-CD1 3.37Å; K843-L847 PolarHBondContact O-N 3.37Å; L847-D851 HydrophobicContact CB-CB 4.23Å; L847-D851 HydrophobicContact CD2-CB 3.62Å; L847-D851 HydrophobicContact CG-CB 4.47Å; L847-V852 HydrophobicContact CB-CG2 4.12Å; L847-M855 HydrophobicContact CB-CE 4.34Å; L847-M855 HydrophobicContact CD1-CE 3.11Å; L847-M855 HydrophobicContact CG-CE 4.29Å
848	R	63.5	Low	70.9	Confident	215 Å²	215	92.6 Å²	92.6	81%	0.811	48%	0.478	S	S	*	.			trans	-66.8	150.5	171.7	-77.3	-179.5	166.8	160.8	-3.5	109.3	D850 D851	R848-D850 PolarHBondContact O-N 3.09Å; R848-D851 PolarHBondContact O-N 3.11Å
849	S	60.9	Low	70.9	Confident	98 Å²	98	93.3 Å²	93.3	69%	0.685	48%	0.481	S	S	*	.	H	α-helix	trans	-45.8	-32.6	-171.8	-50	0	0	0	0	115.2
850	D	58.8	Low	71.1	Confident	140 Å²	140	91.1 Å²	91.1	75%	0.749	47%	0.471	S	S	*	.	H	α-helix	trans	-72.9	-35.5	-179.8	-65.9	-22.6	0	0	0	113.8	R848 V852	R848-D850 PolarHBondContact O-N 3.09Å; D850-V852 VanDerWaalsContact C-N 3.3Å; D850-V852 PolarHBondContact O-N 3.41Å
851	D	62	Low	71.3	Confident	97 Å²	97	92.8 Å²	92.8	52%	0.519	48%	0.478	S	S	.	.	H	α-helix	trans	-79.6	-16	-179.6	-67.9	-36.7	0	0	0	112.5	L847 R848 L853 G854	L847-D851 HydrophobicContact CB-CB 4.23Å; L847-D851 HydrophobicContact CD2-CB 3.62Å; L847-D851 HydrophobicContact CG-CB 4.47Å; R848-D851 PolarHBondContact O-N 3.11Å; D851-L853 VanDerWaalsContact C-N 3.33Å; D851-G854 PolarHBondContact O-N 2.93Å
852	V	59.5	Low	71.6	Confident	45 Å²	45	85.3 Å²	85.3	27%	0.273	45%	0.451	S	S	.	.	H	α-helix	trans	-68.7	-34.9	178.2	-178.1	0	0	0	0	111	T844 L847 D850 G854	T844-V852 HydrophobicContact CG2-CG1 4.08Å; T844-V852 HydrophobicContact CG2-CG2 4.34Å; L847-V852 HydrophobicContact CB-CG2 4.12Å; D850-V852 VanDerWaalsContact C-N 3.3Å; D850-V852 PolarHBondContact O-N 3.41Å; V852-G854 VanDerWaalsContact C-N 3.26Å; V852-G854 PolarHBondContact O-N 2.81Å
853	L	58.1	Low	71.7	Confident	161 Å²	161	85.2 Å²	85.2	84%	0.843	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.2	176.6	-78.9	142.8	0	0	0	113.2	D851	D851-L853 VanDerWaalsContact C-N 3.33Å
854	G	59.2	Low	72	Confident	53 Å²	53	85.2 Å²	85.2	55%	0.546	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	0.6	-177.5	0	0	0	0	0	115.5	D851 V852 K856	D851-G854 PolarHBondContact O-N 2.93Å; V852-G854 VanDerWaalsContact C-N 3.26Å; V852-G854 PolarHBondContact O-N 2.81Å; G854-K856 PolarHBondContact O-N 3.45Å; G854-K856 VanDerWaalsContact O-N 3.11Å
855	M	66.7	Low	72.4	Confident	36 Å²	36	82.6 Å²	82.6	18%	0.177	44%	0.438	C	S	.	.			trans	-69.3	107.6	-177.3	-69.3	-172.3	-177.6	0	0	111.6	K843 L847 L904	K843-M855 HydrophobicContact CB-CE 3.58Å; K843-M855 HydrophobicContact CB-SD 4.3Å; K843-M855 HydrophobicContact CD-CE 4.5Å; L847-M855 HydrophobicContact CB-CE 4.34Å; L847-M855 HydrophobicContact CD1-CE 3.11Å; L847-M855 HydrophobicContact CG-CE 4.29Å; M855-L904 HydrophobicContact CB-CD1 4.15Å; M855-L904 WeakPolarHBondContact O-CD1 3.49Å
856	K	69.4	Low	72.7	Confident	170 Å²	170	78.8 Å²	78.8	74%	0.739	42%	0.417	S	S	*	.			trans	-93.2	-21.4	176.5	-66.1	-176.9	179.8	-179	0	113.9	G854 L904	G854-K856 PolarHBondContact O-N 3.45Å; G854-K856 VanDerWaalsContact O-N 3.11Å; K856-L904 PolarHBondContact O-N 2.94Å
857	C	74.5	Confident	72.9	Confident	53 Å²	53	79.1 Å²	79.1	36%	0.358	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.3	-177.6	56.7	0	0	0	0	112.8	Q902	C857-Q902 VanDerWaalsContact CA-O 3.28Å; C857-Q902 WeakPolarHBondContact CA-O 3.42Å
858	I	78.9	Confident	73.3	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.6	171.7	-59.7	147.5	0	0	0	107.5	V836 Q839 I840 V860 T901 Q902 L904	V836-I858 HydrophobicContact CG1-CD1 3.84Å; V836-I858 HydrophobicContact CG1-CG2 4.16Å; Q839-I858 HydrophobicContact CB-CG2 3.94Å; I840-I858 HydrophobicContact CD1-CD1 3.48Å; I840-I858 VanDerWaalsContact CD1-CD1 3.48Å; I840-I858 HydrophobicContact CG1-CD1 3.26Å; I840-I858 HydrophobicContact CG1-CG1 3.99Å; I858-V860 HydrophobicContact CG2-CG2 4.39Å; I858-T901 CarbonylContact O-C 3.58Å; I858-T901 VanDerWaalsContact O-CA 3.31Å; I858-T901 WeakPolarHBondContact O-CA 3.35Å; I858-Q902 HydrophobicContact CB-CB 4.46Å; I858-Q902 PolarHBondContact N-O 3.31Å; I858-Q902 PolarHBondContact O-N 3.48Å; I858-L904 HydrophobicContact CD1-CD1 3.73Å; I858-L904 HydrophobicContact CD1-CD2 3.73Å; I858-L904 HydrophobicContact CD1-CG 3.73Å; I858-L904 HydrophobicContact CG1-CD1 4.16Å; I858-L904 HydrophobicContact CG1-CG 4.45Å
859	E	82.6	Confident	74.2	Confident	97 Å²	97	67.6 Å²	67.6	45%	0.453	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.7	-179.2	-70.4	-177.9	-176.4	0	0	107.9	I899 T901	E859-I899 HydrophobicContact CB-CG2 3.68Å; E859-I899 HydrophobicContact CG-CG2 3.89Å; E859-T901 HydrophobicContact CG-CG2 3.99Å
860	V	83.1	Confident	75.1	Confident	2 Å²	2	69 Å²	69	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.9	175.6	-179.4	0	0	0	0	108.2	C835 V836 Q839 I858 I900	C835-V860 HydrophobicContact CB-CG1 3.79Å; V836-V860 HydrophobicContact CB-CG2 4.44Å; V836-V860 HydrophobicContact CG2-CG2 3.76Å; Q839-V860 HydrophobicContact CG-CG2 4.17Å; I858-V860 HydrophobicContact CG2-CG2 4.39Å; V860-I900 HydrophobicContact CB-CB 4.49Å; V860-I900 PolarHBondContact N-O 3.39Å; V860-I900 PolarHBondContact O-N 3.14Å
861	H	84	Confident	76	Confident	81 Å²	81	70 Å²	70	38%	0.375	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.7	177.5	-159.6	-49.4	0	0	0	110.3	L863 D864	H861-L863 PolarHBondContact ND1-N 2.87Å; H861-L863 PolarHBondContact O-N 2.92Å; H861-D864 PolarHBondContact O-N 3.23Å
862	E	84	Confident	76.2	Confident	27 Å²	27	68.2 Å²	68.2	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-59	-29.1	179.4	176.2	171.6	-154.7	0	0	113.8	D864 L865 L866 Y881 Y893 K898	E862-D864 VanDerWaalsContact C-N 3.3Å; E862-D864 PolarHBondContact O-N 2.94Å; E862-L865 PolarHBondContact O-N 3.23Å; E862-L866 WeakPolarHBondContact O-CB 3.47Å; E862-L866 PolarHBondContact O-N 3.48Å; E862-Y881 PolarHBondContact OE1-OH 3.23Å; E862-Y893 HydrophobicContact CB-CE2 4.43Å; E862-Y893 HydrophobicContact CG-CE2 4.5Å; E862-Y893 PolarHBondContact OE1-OH 3.41Å; E862-Y893 WeakPolarHBondContact OE2-CE2 3.37Å; E862-Y893 PolarHBondContact OE2-OH 3.31Å; E862-K898 HydrophobicContact CB-CB 4.25Å; E862-K898 WeakPolarHBondContact CB-O 3.47Å; E862-K898 PolarHBondContact N-O 3.25Å
863	L	83.3	Confident	76.7	Confident	92 Å²	92	75.3 Å²	75.3	48%	0.482	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-39.4	-179.3	-67.5	175.2	0	0	0	111.2	H861 L865 L866 E867	H861-L863 PolarHBondContact ND1-N 2.87Å; H861-L863 PolarHBondContact O-N 2.92Å; L863-L865 VanDerWaalsContact C-N 3.31Å; L863-L865 PolarHBondContact O-N 3.22Å; L863-L866 PolarHBondContact O-N 3.42Å; L863-E867 WeakPolarHBondContact O-CB 3.49Å; L863-E867 WeakPolarHBondContact O-CG 3.22Å; L863-E867 PolarHBondContact O-N 2.98Å
864	D	83.7	Confident	77.3	Confident	59 Å²	59	69.1 Å²	69.1	32%	0.316	34%	0.343	S	S	.	.	H	α-helix	trans	-62.4	-40.3	178.8	-61.2	-17.6	0	0	0	111.4	H861 E862 K868	H861-D864 PolarHBondContact O-N 3.23Å; E862-D864 VanDerWaalsContact C-N 3.3Å; E862-D864 PolarHBondContact O-N 2.94Å; D864-K868 WeakPolarHBondContact O-CG 3.43Å; D864-K868 PolarHBondContact O-N 3.31Å
865	L	82.6	Confident	77.8	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-69.6	-43.8	176.6	-177.1	67	0	0	0	111.1	L831 L832 E862 L863 K868 A869 L877 I900	L831-L865 HydrophobicContact CB-CD1 4.06Å; L832-L865 HydrophobicContact CB-CD1 3.86Å; L832-L865 HydrophobicContact CD1-CD1 4.49Å; L832-L865 HydrophobicContact CD1-CD2 3.86Å; L832-L865 HydrophobicContact CG-CD1 4.36Å; E862-L865 PolarHBondContact O-N 3.23Å; L863-L865 VanDerWaalsContact C-N 3.31Å; L863-L865 PolarHBondContact O-N 3.22Å; L865-K868 PolarHBondContact O-N 3.17Å; L865-A869 VanDerWaalsContact O-CB 3.27Å; L865-A869 WeakPolarHBondContact O-CB 3.24Å; L865-A869 PolarHBondContact O-N 3.37Å; L865-L877 HydrophobicContact CD2-CD2 4Å; L865-L877 HydrophobicContact CG-CD2 4.31Å; L865-I900 HydrophobicContact CD2-CD1 3.69Å
866	L	84.3	Confident	77.9	Confident	48 Å²	48	78.8 Å²	78.8	25%	0.251	38%	0.377	S	S	.	.	H	α-helix	trans	-67	-37.7	-177.3	-168.9	150.6	0	0	0	111.6	E862 L863 A869 K870 L877	E862-L866 WeakPolarHBondContact O-CB 3.47Å; E862-L866 PolarHBondContact O-N 3.48Å; L863-L866 PolarHBondContact O-N 3.42Å; L866-A869 PolarHBondContact O-N 2.97Å; L866-K870 HydrophobicContact CD2-CD 3.76Å; L866-K870 HydrophobicContact CD2-CG 4.2Å; L866-K870 WeakPolarHBondContact O-CB 3.47Å; L866-K870 VanDerWaalsContact O-CG 3.32Å; L866-K870 WeakPolarHBondContact O-CG 3.34Å; L866-K870 PolarHBondContact O-N 2.99Å; L866-L877 HydrophobicContact CB-CD1 4.12Å; L866-L877 HydrophobicContact CD1-CD1 4.1Å; L866-L877 HydrophobicContact CG-CD1 4.23Å
867	E	83.8	Confident	78.2	Confident	124 Å²	124	71.1 Å²	71.1	58%	0.579	34%	0.344	S	S	*	.	H	α-helix	trans	-63.1	-43.5	173.7	-76.3	-177.2	-175	0	0	112.2	L863	L863-E867 WeakPolarHBondContact O-CB 3.49Å; L863-E867 WeakPolarHBondContact O-CG 3.22Å; L863-E867 PolarHBondContact O-N 2.98Å
868	K	76.9	Confident	78.3	Confident	37 Å²	37	72.2 Å²	72.2	16%	0.161	35%	0.353	C	S	.	.	H	α-helix	trans	-69.4	-37.9	175.1	-68.5	-175.9	-171.4	175.2	0	111.9	L831 C835 E838 D864 L865 K870 Q871	L831-K868 HydrophobicContact CD1-CB 4.12Å; L831-K868 HydrophobicContact CD2-CB 4.19Å; C835-K868 PolarHBondContact SG-NZ 2.92Å; E838-K868 IonicContact OE1-NZ 2.82Å; E838-K868 IonicContact OE2-NZ 3.62Å; E838-K868 PolarHBondContact OE2-NZ 2.98Å; D864-K868 WeakPolarHBondContact O-CG 3.43Å; D864-K868 PolarHBondContact O-N 3.31Å; L865-K868 PolarHBondContact O-N 3.17Å; K868-K870 VanDerWaalsContact C-N 3.35Å; K868-K870 PolarHBondContact O-N 2.89Å; K868-Q871 WeakPolarHBondContact O-CB 3.35Å; K868-Q871 PolarHBondContact O-N 3.3Å
869	A	81.1	Confident	78.1	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-66.5	-35.1	177.2	0	0	0	0	0	112.6	L828 L865 L866 Q871 L872 K873 I874 L877	L828-A869 HydrophobicContact CD2-CB 3.95Å; L865-A869 VanDerWaalsContact O-CB 3.27Å; L865-A869 WeakPolarHBondContact O-CB 3.24Å; L865-A869 PolarHBondContact O-N 3.37Å; L866-A869 PolarHBondContact O-N 2.97Å; A869-Q871 PolarHBondContact O-N 2.75Å; A869-L872 CarbonylContact O-C 3.54Å; A869-L872 WeakPolarHBondContact O-CA 3.42Å; A869-L872 PolarHBondContact O-N 2.86Å; A869-K873 PolarHBondContact O-N 3.36Å; A869-I874 PolarHBondContact O-N 2.82Å; A869-I874 VanDerWaalsContact O-N 3.16Å; A869-L877 HydrophobicContact CB-CD2 4.45Å
870	K	81.2	Confident	77.9	Confident	128 Å²	128	70.7 Å²	70.7	56%	0.557	36%	0.356	S	S	*	.	H	α-helix	trans	-59.4	-34.3	172.9	-84	175.3	172.7	166.9	0	112.7	L866 K868 L872 K873	L866-K870 HydrophobicContact CD2-CD 3.76Å; L866-K870 HydrophobicContact CD2-CG 4.2Å; L866-K870 WeakPolarHBondContact O-CB 3.47Å; L866-K870 VanDerWaalsContact O-CG 3.32Å; L866-K870 WeakPolarHBondContact O-CG 3.34Å; L866-K870 PolarHBondContact O-N 2.99Å; K868-K870 VanDerWaalsContact C-N 3.35Å; K868-K870 PolarHBondContact O-N 2.89Å; K870-L872 PolarHBondContact O-N 2.95Å; K870-K873 PolarHBondContact O-N 3.46Å
871	Q	76.3	Confident	77.7	Confident	159 Å²	159	72.1 Å²	72.1	74%	0.743	36%	0.362	S	S	*	.	H	α-helix	trans	-63.4	-27.4	175.3	-62	173.8	10.1	0	0	112	K868 A869	K868-Q871 WeakPolarHBondContact O-CB 3.35Å; K868-Q871 PolarHBondContact O-N 3.3Å; A869-Q871 PolarHBondContact O-N 2.75Å
872	L	68	Low	77.4	Confident	61 Å²	61	75.2 Å²	75.2	32%	0.319	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	8.2	175.5	-61	-179.4	0	0	0	113.5	L831 A869 K870 I874	L831-L872 HydrophobicContact CD1-CD1 3.63Å; L831-L872 HydrophobicContact CD1-CG 4.46Å; L831-L872 HydrophobicContact CG-CD1 4.26Å; A869-L872 CarbonylContact O-C 3.54Å; A869-L872 WeakPolarHBondContact O-CA 3.42Å; A869-L872 PolarHBondContact O-N 2.86Å; K870-L872 PolarHBondContact O-N 2.95Å; L872-I874 VanDerWaalsContact C-N 3.26Å; L872-I874 HydrophobicContact CB-CD1 4.39Å; L872-I874 HydrophobicContact CB-CG1 4.45Å; L872-I874 PolarHBondContact O-N 2.96Å
873	K	69.4	Low	77	Confident	193 Å²	193	74.7 Å²	74.7	84%	0.839	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	27.5	-178.1	-54.3	179.7	179.2	179.3	0	114.7	A869 K870	A869-K873 PolarHBondContact O-N 3.36Å; K870-K873 PolarHBondContact O-N 3.46Å
874	I	70.5	Confident	76.4	Confident	31 Å²	31	76.8 Å²	76.8	16%	0.159	39%	0.391	C	S	.	.			trans	-101.6	110.8	175.5	-57.1	172.5	0	0	0	108.4	N824 L828 A869 L872	N824-I874 HydrophobicContact CB-CD1 4.49Å; L828-I874 HydrophobicContact CD1-CG2 4.26Å; L828-I874 HydrophobicContact CD2-CD1 4.38Å; L828-I874 HydrophobicContact CD2-CG2 4.31Å; L828-I874 HydrophobicContact CG-CD1 4.36Å; A869-I874 PolarHBondContact O-N 2.82Å; A869-I874 VanDerWaalsContact O-N 3.16Å; L872-I874 VanDerWaalsContact C-N 3.26Å; L872-I874 HydrophobicContact CB-CD1 4.39Å; L872-I874 HydrophobicContact CB-CG1 4.45Å; L872-I874 PolarHBondContact O-N 2.96Å
875	E	68.9	Low	75.8	Confident	165 Å²	165	76.2 Å²	76.2	77%	0.771	39%	0.388	S	S	*	.			trans	-97.3	-22.3	-179.3	-62.5	-174.1	165.8	0	0	113.1
876	N	70.6	Confident	75.5	Confident	127 Å²	127	76.4 Å²	76.4	68%	0.679	39%	0.389	S	S	*	.			trans	-100.8	99	-174.7	-74.2	-33.7	0	0	0	112.3
877	L	75.6	Confident	75.2	Confident	9 Å²	9	78.6 Å²	78.6	5%	0.047	40%	0.404	C	S	.	.			trans	-87.4	-13.3	175.5	-66.8	162.3	0	0	0	113.6	L828 L865 L866 A869 A879 F880 Y881	L828-L877 HydrophobicContact CD1-CD2 4.25Å; L828-L877 HydrophobicContact CD2-CD2 3.72Å; L865-L877 HydrophobicContact CD2-CD2 4Å; L865-L877 HydrophobicContact CG-CD2 4.31Å; L866-L877 HydrophobicContact CB-CD1 4.12Å; L866-L877 HydrophobicContact CD1-CD1 4.1Å; L866-L877 HydrophobicContact CG-CD1 4.23Å; A869-L877 HydrophobicContact CB-CD2 4.45Å; L877-A879 VanDerWaalsContact C-N 3.34Å; L877-A879 PolarHBondContact O-N 2.86Å; L877-F880 WeakPolarHBondContact O-CB 3.4Å; L877-F880 PolarHBondContact O-N 2.75Å; L877-Y881 HydrophobicContact CB-CD2 4.49Å; L877-Y881 HydrophobicContact CB-CE2 3.83Å; L877-Y881 WeakPolarHBondContact O-CD2 3.42Å; L877-Y881 PolarHBondContact O-N 2.68Å; L877-Y881 VanDerWaalsContact O-N 3.14Å
878	S	74.9	Confident	74.8	Confident	77 Å²	77	74.8 Å²	74.8	54%	0.538	39%	0.391	S	S	.	.	H	α-helix	trans	-62	-38.6	-174.6	53.5	0	0	0	0	113.4	F880 L882	S878-F880 VanDerWaalsContact C-N 3.28Å; S878-F880 PolarHBondContact O-N 3.32Å; S878-L882 PolarHBondContact O-N 2.88Å
879	A	75.8	Confident	74.6	Confident	63 Å²	63	73.3 Å²	73.3	52%	0.521	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-32.8	175.8	0	0	0	0	0	112.1	L877 S883	L877-A879 VanDerWaalsContact C-N 3.34Å; L877-A879 PolarHBondContact O-N 2.86Å; A879-S883 PolarHBondContact O-N 3.14Å
880	F	77.9	Confident	74.2	Confident	1 Å²	1	77.7 Å²	77.7	0%	0.004	40%	0.402	C	S	.	.	H	α-helix	trans	-72.5	-41.3	179.3	177.7	-111.3	0	0	0	112	N825 L828 L829 L832 L877 S878 L882 S883 F886	N825-F880 HydrophobicContact CB-CD2 4.11Å; N825-F880 WeakPolarHBondContact O-CE2 3.35Å; L828-F880 HydrophobicContact CB-CD1 4.13Å; L828-F880 HydrophobicContact CB-CD2 3.78Å; L828-F880 HydrophobicContact CB-CE1 4.16Å; L828-F880 HydrophobicContact CB-CE2 3.84Å; L828-F880 HydrophobicContact CB-CG 3.93Å; L828-F880 HydrophobicContact CB-CZ 4.03Å; L828-F880 HydrophobicContact CD1-CB 3.61Å; L828-F880 HydrophobicContact CD1-CD1 4.36Å; L828-F880 HydrophobicContact CD1-CD2 4.08Å; L828-F880 HydrophobicContact CD1-CG 3.76Å; L829-F880 HydrophobicContact CB-CE2 4.02Å; L829-F880 HydrophobicContact CB-CZ 4Å; L829-F880 HydrophobicContact CD1-CZ 4.19Å; L832-F880 HydrophobicContact CD1-CE1 3.77Å; L832-F880 HydrophobicContact CD1-CZ 4.38Å; L877-F880 WeakPolarHBondContact O-CB 3.4Å; L877-F880 PolarHBondContact O-N 2.75Å; S878-F880 VanDerWaalsContact C-N 3.28Å; S878-F880 PolarHBondContact O-N 3.32Å; F880-L882 PolarHBondContact O-N 3.18Å; F880-S883 WeakPolarHBondContact O-CB 3.42Å; F880-S883 PolarHBondContact O-N 2.93Å; F880-S883 PolarHBondContact O-OG 2.79Å; F880-F886 HydrophobicContact CD1-CD2 4.1Å; F880-F886 AromaticContact CE1-CD2 3.55Å; F880-F886 HydrophobicContact CE1-CD2 3.55Å; F880-F886 HydrophobicContact CE1-CE2 4.1Å; F880-F886 AromaticContact CZ-CD2 3.97Å; F880-F886 HydrophobicContact CZ-CD2 3.97Å; F880-F886 WeakPolarHBondContact O-CB 3.39Å
881	Y	78.6	Confident	74.2	Confident	32 Å²	32	72 Å²	72	13%	0.125	38%	0.377	C	S	.	.	H	α-helix	trans	-64.8	-23.8	176.8	-59.5	-41.2	0	0	0	114	E862 L877 F886 Y893 I900	E862-Y881 PolarHBondContact OE1-OH 3.23Å; L877-Y881 HydrophobicContact CB-CD2 4.49Å; L877-Y881 HydrophobicContact CB-CE2 3.83Å; L877-Y881 WeakPolarHBondContact O-CD2 3.42Å; L877-Y881 PolarHBondContact O-N 2.68Å; L877-Y881 VanDerWaalsContact O-N 3.14Å; Y881-F886 HydrophobicContact CD1-CD2 4.29Å; Y881-F886 HydrophobicContact CD1-CE1 4.44Å; Y881-F886 AromaticContact CD1-CE2 3.86Å; Y881-F886 HydrophobicContact CD1-CE2 3.86Å; Y881-F886 AromaticContact CD1-CZ 3.93Å; Y881-F886 HydrophobicContact CD1-CZ 3.93Å; Y881-F886 HydrophobicContact CE1-CE2 4.23Å; Y881-F886 HydrophobicContact CE1-CZ 4.43Å; Y881-Y893 HydrophobicContact CD1-CD1 4.32Å; Y881-Y893 HydrophobicContact CD1-CG 4.09Å; Y881-Y893 AromaticContact CD2-CD1 3.64Å; Y881-Y893 HydrophobicContact CD2-CD1 3.64Å; Y881-Y893 AromaticContact CD2-CE1 3.73Å; Y881-Y893 HydrophobicContact CD2-CE1 3.73Å; Y881-Y893 HydrophobicContact CD2-CG 4.19Å; Y881-Y893 HydrophobicContact CE1-CD1 4.49Å; Y881-Y893 HydrophobicContact CE1-CD2 4.11Å; Y881-Y893 HydrophobicContact CE1-CG 4.1Å; Y881-Y893 AromaticContact CE2-CD1 3.83Å; Y881-Y893 HydrophobicContact CE2-CD1 3.83Å; Y881-Y893 HydrophobicContact CE2-CD2 4.32Å; Y881-Y893 AromaticContact CE2-CE1 3.58Å; Y881-Y893 HydrophobicContact CE2-CE1 3.58Å; Y881-Y893 HydrophobicContact CE2-CE2 4.11Å; Y881-Y893 HydrophobicContact CE2-CG 4.19Å; Y881-Y893 AromaticContact CE2-CZ 3.75Å; Y881-Y893 AromaticContact CG-CD1 3.91Å; Y881-Y893 HydrophobicContact CG-CD1 3.91Å; Y881-Y893 HydrophobicContact CG-CE1 4.45Å; Y881-Y893 HydrophobicContact CG-CG 4.15Å; Y881-Y893 AromaticContact CZ-CD2 3.97Å; Y881-Y893 AromaticContact CZ-CE2 3.92Å; Y881-I900 HydrophobicContact CE1-CD1 4.16Å
882	L	78.2	Confident	74.5	Confident	147 Å²	147	71 Å²	71	77%	0.77	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-11.1	175.3	-68.5	170.7	0	0	0	113	S878 F880	S878-L882 PolarHBondContact O-N 2.88Å; F880-L882 PolarHBondContact O-N 3.18Å
883	S	75.2	Confident	75.2	Confident	16 Å²	16	70.3 Å²	70.3	11%	0.112	36%	0.364	C	S	.	.	S	Bend	trans	-73.9	142.4	-176.2	72.8	0	0	0	0	111.6	A879 F880 L885 F886	A879-S883 PolarHBondContact O-N 3.14Å; F880-S883 WeakPolarHBondContact O-CB 3.42Å; F880-S883 PolarHBondContact O-N 2.93Å; F880-S883 PolarHBondContact O-OG 2.79Å; S883-L885 PolarHBondContact O-N 2.62Å; S883-L885 VanDerWaalsContact O-N 3.15Å; S883-F886 WeakPolarHBondContact O-CB 3.36Å; S883-F886 PolarHBondContact O-N 3.35Å
884	D	72.2	Confident	75.8	Confident	136 Å²	136	63.9 Å²	63.9	73%	0.727	34%	0.339	S	S	*	.	H	α-helix	trans	-61.1	-24.1	175.2	-62.2	-35.8	0	0	0	112	F886 T887 S888	D884-F886 VanDerWaalsContact C-N 3.28Å; D884-F886 PolarHBondContact O-N 2.9Å; D884-T887 PolarHBondContact O-N 2.87Å; D884-S888 WeakPolarHBondContact O-CB 3.28Å; D884-S888 PolarHBondContact O-N 3.26Å; D884-S888 PolarHBondContact O-OG 3.33Å
885	L	70.3	Confident	76.2	Confident	46 Å²	46	70.5 Å²	70.5	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-61.7	-35.2	172.9	-66.3	174.9	0	0	0	112.2	N825 S883 S888 N889	N825-L885 HydrophobicContact CB-CD1 3.69Å; S883-L885 PolarHBondContact O-N 2.62Å; S883-L885 VanDerWaalsContact O-N 3.15Å; L885-S888 WeakPolarHBondContact CA-OG 3.49Å; L885-S888 PolarHBondContact O-OG 2.98Å; L885-S888 VanDerWaalsContact O-OG 3.11Å; L885-N889 PolarHBondContact O-ND2 3.28Å
886	F	76.9	Confident	76.7	Confident	5 Å²	5	67.1 Å²	67.1	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-71.6	-46.3	177.2	-174.9	-98.5	0	0	0	111	L832 F880 Y881 S883 D884 N889 F891 I900	L832-F886 HydrophobicContact CD1-CD2 4.34Å; L832-F886 HydrophobicContact CD1-CE2 3.84Å; F880-F886 HydrophobicContact CD1-CD2 4.1Å; F880-F886 AromaticContact CE1-CD2 3.55Å; F880-F886 HydrophobicContact CE1-CD2 3.55Å; F880-F886 HydrophobicContact CE1-CE2 4.1Å; F880-F886 AromaticContact CZ-CD2 3.97Å; F880-F886 HydrophobicContact CZ-CD2 3.97Å; F880-F886 WeakPolarHBondContact O-CB 3.39Å; Y881-F886 HydrophobicContact CD1-CD2 4.29Å; Y881-F886 HydrophobicContact CD1-CE1 4.44Å; Y881-F886 AromaticContact CD1-CE2 3.86Å; Y881-F886 HydrophobicContact CD1-CE2 3.86Å; Y881-F886 AromaticContact CD1-CZ 3.93Å; Y881-F886 HydrophobicContact CD1-CZ 3.93Å; Y881-F886 HydrophobicContact CE1-CE2 4.23Å; Y881-F886 HydrophobicContact CE1-CZ 4.43Å; S883-F886 WeakPolarHBondContact O-CB 3.36Å; S883-F886 PolarHBondContact O-N 3.35Å; D884-F886 VanDerWaalsContact C-N 3.28Å; D884-F886 PolarHBondContact O-N 2.9Å; F886-N889 PolarHBondContact O-N 3.31Å; F886-F891 HydrophobicContact CD1-CB 3.95Å; F886-F891 WeakPolarHBondContact CD1-O 3.5Å; F886-F891 HydrophobicContact CD2-CB 3.73Å; F886-F891 HydrophobicContact CD2-CD2 4.48Å; F886-F891 HydrophobicContact CD2-CG 4.37Å; F886-F891 VanDerWaalsContact CE1-C 3.48Å; F886-F891 HydrophobicContact CE1-CB 3.65Å; F886-F891 WeakPolarHBondContact CE1-O 3.47Å; F886-F891 HydrophobicContact CE2-CB 3.42Å; F886-F891 VanDerWaalsContact CE2-CB 3.42Å; F886-F891 HydrophobicContact CE2-CG 4.14Å; F886-F891 HydrophobicContact CG-CB 3.99Å; F886-F891 HydrophobicContact CZ-CB 3.38Å; F886-F891 HydrophobicContact CZ-CG 4.49Å; F886-F891 WeakPolarHBondContact O-CB 3.45Å; F886-F891 PolarHBondContact O-N 2.93Å; F886-I900 HydrophobicContact CE2-CG2 4.03Å; F886-I900 HydrophobicContact CZ-CG2 3.86Å
887	T	77.8	Confident	77	Confident	93 Å²	93	68 Å²	68	57%	0.571	36%	0.364	S	S	*	.	H	α-helix	trans	-68.6	-41.5	-179.2	-50.4	0	0	0	0	112.3	D884 N889 R890	D884-T887 PolarHBondContact O-N 2.87Å; T887-N889 VanDerWaalsContact C-N 3.26Å; T887-N889 PolarHBondContact O-N 3.16Å; T887-R890 PolarHBondContact O-N 3.28Å
888	S	74.2	Confident	77.4	Confident	45 Å²	45	73.2 Å²	73.2	32%	0.315	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-29.1	179.8	56.7	0	0	0	0	113.1	R662 D884 L885 R890	R662-S888 PolarHBondContact NH2-O 3.38Å; D884-S888 WeakPolarHBondContact O-CB 3.28Å; D884-S888 PolarHBondContact O-N 3.26Å; D884-S888 PolarHBondContact O-OG 3.33Å; L885-S888 WeakPolarHBondContact CA-OG 3.49Å; L885-S888 PolarHBondContact O-OG 2.98Å; L885-S888 VanDerWaalsContact O-OG 3.11Å; S888-R890 PolarHBondContact O-N 3.14Å
889	N	72.3	Confident	77.8	Confident	6 Å²	6	71.1 Å²	71.1	3%	0.032	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	16.9	173.7	-67.9	-66.6	0	0	0	113.2	R662 L829 L885 F886 T887 F891	R662-N889 VanDerWaalsContact CZ-OD1 3.23Å; R662-N889 PolarHBondContact NH1-OD1 3.49Å; R662-N889 VanDerWaalsContact NH2-CG 3.31Å; R662-N889 PolarHBondContact NH2-OD1 3.36Å; L829-N889 HydrophobicContact CD1-CB 4.18Å; L829-N889 VanDerWaalsContact CD1-ND2 3.34Å; L829-N889 WeakPolarHBondContact CD1-ND2 3.4Å; L829-N889 WeakPolarHBondContact CD2-ND2 3.32Å; L885-N889 PolarHBondContact O-ND2 3.28Å; F886-N889 PolarHBondContact O-N 3.31Å; T887-N889 VanDerWaalsContact C-N 3.26Å; T887-N889 PolarHBondContact O-N 3.16Å; N889-F891 HydrophobicContact CB-CD2 3.51Å; N889-F891 HydrophobicContact CB-CE2 3.4Å; N889-F891 VanDerWaalsContact CB-CE2 3.4Å; N889-F891 PolarHBondContact O-N 2.78Å
890	R	74.5	Confident	78.2	Confident	92 Å²	92	68.1 Å²	68.1	35%	0.347	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	29.3	179.6	-62.7	-173.9	173.1	162.2	3.1	114.4	E661 T887 S888 F903 L904	E661-R890 IonicContact OE1-CZ 3.71Å; E661-R890 IonicContact OE1-NH2 2.75Å; E661-R890 PolarHBondContact OE1-NH2 2.96Å; E661-R890 IonicContact OE2-CZ 3.08Å; E661-R890 IonicContact OE2-NH1 3.49Å; E661-R890 PolarHBondContact OE2-NH1 3.4Å; E661-R890 IonicContact OE2-NH2 2.86Å; E661-R890 PolarHBondContact OE2-NH2 3.17Å; T887-R890 PolarHBondContact O-N 3.28Å; S888-R890 PolarHBondContact O-N 3.14Å; R890-F903 HydrophobicContact CB-CB 4.27Å; R890-F903 WeakPolarHBondContact CB-O 3.49Å; R890-F903 WeakPolarHBondContact CD-O 3.4Å; R890-F903 PolarHBondContact O-N 3.11Å; R890-F903 VanDerWaalsContact O-N 3.14Å; R890-L904 PolarHBondContact NH1-OXT 2.9Å
891	F	81.1	Confident	78.4	Confident	9 Å²	9	69.2 Å²	69.2	4%	0.039	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	135.1	170.1	-62.9	-70.2	0	0	0	110.4	L829 L832 V836 F886 N889 I900 T901 Q902	L829-F891 HydrophobicContact CD1-CD2 4.25Å; L829-F891 HydrophobicContact CD1-CE2 3.89Å; L832-F891 HydrophobicContact CD2-CD1 3.49Å; L832-F891 VanDerWaalsContact CD2-CD1 3.49Å; L832-F891 HydrophobicContact CD2-CD2 3.94Å; L832-F891 HydrophobicContact CD2-CE1 3.07Å; L832-F891 HydrophobicContact CD2-CE2 3.58Å; L832-F891 HydrophobicContact CD2-CG 3.91Å; L832-F891 HydrophobicContact CD2-CZ 3.16Å; V836-F891 HydrophobicContact CG2-CE1 3.69Å; V836-F891 HydrophobicContact CG2-CZ 4.11Å; F886-F891 HydrophobicContact CD1-CB 3.95Å; F886-F891 WeakPolarHBondContact CD1-O 3.5Å; F886-F891 HydrophobicContact CD2-CB 3.73Å; F886-F891 HydrophobicContact CD2-CD2 4.48Å; F886-F891 HydrophobicContact CD2-CG 4.37Å; F886-F891 VanDerWaalsContact CE1-C 3.48Å; F886-F891 HydrophobicContact CE1-CB 3.65Å; F886-F891 WeakPolarHBondContact CE1-O 3.47Å; F886-F891 HydrophobicContact CE2-CB 3.42Å; F886-F891 VanDerWaalsContact CE2-CB 3.42Å; F886-F891 HydrophobicContact CE2-CG 4.14Å; F886-F891 HydrophobicContact CG-CB 3.99Å; F886-F891 HydrophobicContact CZ-CB 3.38Å; F886-F891 HydrophobicContact CZ-CG 4.49Å; F886-F891 WeakPolarHBondContact O-CB 3.45Å; F886-F891 PolarHBondContact O-N 2.93Å; N889-F891 HydrophobicContact CB-CD2 3.51Å; N889-F891 HydrophobicContact CB-CE2 3.4Å; N889-F891 VanDerWaalsContact CB-CE2 3.4Å; N889-F891 PolarHBondContact O-N 2.78Å; F891-I900 HydrophobicContact CB-CG2 4.24Å; F891-I900 HydrophobicContact CD1-CG2 3.93Å; F891-I900 HydrophobicContact CG-CG2 4.43Å; F891-T901 WeakPolarHBondContact CA-O 3.39Å; F891-Q902 HydrophobicContact CD1-CB 3.7Å; F891-Q902 HydrophobicContact CD1-CG 3.85Å; F891-Q902 HydrophobicContact CE1-CB 3.46Å; F891-Q902 VanDerWaalsContact CE1-CB 3.46Å; F891-Q902 HydrophobicContact CE1-CG 3.43Å; F891-Q902 VanDerWaalsContact CE1-CG 3.43Å; F891-Q902 HydrophobicContact CZ-CB 4.45Å; F891-Q902 VanDerWaalsContact CZ-CD 3.47Å; F891-Q902 HydrophobicContact CZ-CG 3.98Å
892	K	82.1	Confident	78.4	Confident	136 Å²	136	68.2 Å²	68.2	59%	0.591	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.3	169.7	-175.1	177.6	-178	178.1	0	108.3	T901 F903	K892-T901 PolarHBondContact N-O 3.48Å; K892-T901 PolarHBondContact O-N 2.93Å; K892-T901 PolarHBondContact O-OG1 3.39Å; K892-T901 VanDerWaalsContact O-OG1 3.1Å; K892-F903 HydrophobicContact CB-CE2 4.05Å; K892-F903 HydrophobicContact CD-CE2 4.32Å
893	Y	81.8	Confident	78.2	Confident	48 Å²	48	65.8 Å²	65.8	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.3	176.9	176.3	-121.8	0	0	0	109.4	E862 Y881 K895 I900	E862-Y893 HydrophobicContact CB-CE2 4.43Å; E862-Y893 HydrophobicContact CG-CE2 4.5Å; E862-Y893 PolarHBondContact OE1-OH 3.41Å; E862-Y893 WeakPolarHBondContact OE2-CE2 3.37Å; E862-Y893 PolarHBondContact OE2-OH 3.31Å; Y881-Y893 HydrophobicContact CD1-CD1 4.32Å; Y881-Y893 HydrophobicContact CD1-CG 4.09Å; Y881-Y893 AromaticContact CD2-CD1 3.64Å; Y881-Y893 HydrophobicContact CD2-CD1 3.64Å; Y881-Y893 AromaticContact CD2-CE1 3.73Å; Y881-Y893 HydrophobicContact CD2-CE1 3.73Å; Y881-Y893 HydrophobicContact CD2-CG 4.19Å; Y881-Y893 HydrophobicContact CE1-CD1 4.49Å; Y881-Y893 HydrophobicContact CE1-CD2 4.11Å; Y881-Y893 HydrophobicContact CE1-CG 4.1Å; Y881-Y893 AromaticContact CE2-CD1 3.83Å; Y881-Y893 HydrophobicContact CE2-CD1 3.83Å; Y881-Y893 HydrophobicContact CE2-CD2 4.32Å; Y881-Y893 AromaticContact CE2-CE1 3.58Å; Y881-Y893 HydrophobicContact CE2-CE1 3.58Å; Y881-Y893 HydrophobicContact CE2-CE2 4.11Å; Y881-Y893 HydrophobicContact CE2-CG 4.19Å; Y881-Y893 AromaticContact CE2-CZ 3.75Å; Y881-Y893 AromaticContact CG-CD1 3.91Å; Y881-Y893 HydrophobicContact CG-CD1 3.91Å; Y881-Y893 HydrophobicContact CG-CE1 4.45Å; Y881-Y893 HydrophobicContact CG-CG 4.15Å; Y881-Y893 AromaticContact CZ-CD2 3.97Å; Y881-Y893 AromaticContact CZ-CE2 3.92Å; Y893-K895 HydrophobicContact CD1-CG 3.83Å; Y893-K895 HydrophobicContact CE1-CB 4.3Å; Y893-K895 HydrophobicContact CE1-CG 3.4Å; Y893-I900 HydrophobicContact CD2-CG1 3.83Å
894	D	83.1	Confident	77.6	Confident	58 Å²	58	68.6 Å²	68.6	31%	0.31	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.1	171.8	-171.8	-8.1	0	0	0	109.7	A896 K897 K898 I899	D894-A896 PolarHBondContact O-N 3.1Å; D894-A896 WeakPolarHBondContact OD1-CB 3.31Å; D894-A896 PolarHBondContact OD1-N 2.95Å; D894-K897 HydrophobicContact CB-CB 4.38Å; D894-K897 PolarHBondContact O-N 2.9Å; D894-K897 WeakPolarHBondContact OD2-CD 3.33Å; D894-K897 WeakPolarHBondContact OD2-CG 3.28Å; D894-K898 WeakPolarHBondContact O-CA 3.45Å; D894-K898 PolarHBondContact O-N 2.84Å; D894-I899 PolarHBondContact N-O 3.02Å
895	K	78.8	Confident	77.9	Confident	170 Å²	170	65.3 Å²	65.3	74%	0.739	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.6	177.6	-75.8	179.4	-179.5	-178.4	0	113	Y893	Y893-K895 HydrophobicContact CD1-CG 3.83Å; Y893-K895 HydrophobicContact CE1-CB 4.3Å; Y893-K895 HydrophobicContact CE1-CG 3.4Å
896	A	79.5	Confident	78.3	Confident	94 Å²	94	66.3 Å²	66.3	78%	0.777	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-37.3	-176.5	0	0	0	0	0	111.6	D894	D894-A896 PolarHBondContact O-N 3.1Å; D894-A896 WeakPolarHBondContact OD1-CB 3.31Å; D894-A896 PolarHBondContact OD1-N 2.95Å
897	K	76.8	Confident	78.4	Confident	145 Å²	145	69.7 Å²	69.7	63%	0.63	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.8	-178	-64.9	-176	-178.2	178.6	0	113.9	D894 I899	D894-K897 HydrophobicContact CB-CB 4.38Å; D894-K897 PolarHBondContact O-N 2.9Å; D894-K897 WeakPolarHBondContact OD2-CD 3.33Å; D894-K897 WeakPolarHBondContact OD2-CG 3.28Å; K897-I899 HydrophobicContact CB-CB 4.24Å; K897-I899 HydrophobicContact CB-CD1 3.92Å; K897-I899 HydrophobicContact CB-CG1 4Å; K897-I899 HydrophobicContact CD-CD1 4.43Å; K897-I899 PolarHBondContact O-N 3.1Å
898	K	82.8	Confident	78.4	Confident	118 Å²	118	68.3 Å²	68.3	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	34.6	-170.4	-57	-177.3	178.8	-179.7	0	112.4	E862 D894	E862-K898 HydrophobicContact CB-CB 4.25Å; E862-K898 WeakPolarHBondContact CB-O 3.47Å; E862-K898 PolarHBondContact N-O 3.25Å; D894-K898 WeakPolarHBondContact O-CA 3.45Å; D894-K898 PolarHBondContact O-N 2.84Å
899	I	84.4	Confident	78.7	Confident	33 Å²	33	69.8 Å²	69.8	17%	0.169	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.9	179.8	-62.7	172.5	0	0	0	108.2	E859 D894 K897 T901	E859-I899 HydrophobicContact CB-CG2 3.68Å; E859-I899 HydrophobicContact CG-CG2 3.89Å; D894-I899 PolarHBondContact N-O 3.02Å; K897-I899 HydrophobicContact CB-CB 4.24Å; K897-I899 HydrophobicContact CB-CD1 3.92Å; K897-I899 HydrophobicContact CB-CG1 4Å; K897-I899 HydrophobicContact CD-CD1 4.43Å; K897-I899 PolarHBondContact O-N 3.1Å; I899-T901 HydrophobicContact CG2-CG2 4.17Å
900	I	83.4	Confident	79.1	Confident	0 Å²	0	74 Å²	74	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	112.5	168.9	-57.5	166.1	0	0	0	106.7	L832 V860 L865 Y881 F886 F891 Y893	L832-I900 HydrophobicContact CD1-CD1 3.9Å; L832-I900 HydrophobicContact CD1-CG2 4.21Å; V860-I900 HydrophobicContact CB-CB 4.49Å; V860-I900 PolarHBondContact N-O 3.39Å; V860-I900 PolarHBondContact O-N 3.14Å; L865-I900 HydrophobicContact CD2-CD1 3.69Å; Y881-I900 HydrophobicContact CE1-CD1 4.16Å; F886-I900 HydrophobicContact CE2-CG2 4.03Å; F886-I900 HydrophobicContact CZ-CG2 3.86Å; F891-I900 HydrophobicContact CB-CG2 4.24Å; F891-I900 HydrophobicContact CD1-CG2 3.93Å; F891-I900 HydrophobicContact CG-CG2 4.43Å; Y893-I900 HydrophobicContact CD2-CG1 3.83Å
901	T	82.4	Confident	79.5	Confident	24 Å²	24	72.7 Å²	72.7	15%	0.147	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.6	175.3	51.6	0	0	0	0	109	I858 E859 F891 K892 I899	I858-T901 CarbonylContact O-C 3.58Å; I858-T901 VanDerWaalsContact O-CA 3.31Å; I858-T901 WeakPolarHBondContact O-CA 3.35Å; E859-T901 HydrophobicContact CG-CG2 3.99Å; F891-T901 WeakPolarHBondContact CA-O 3.39Å; K892-T901 PolarHBondContact N-O 3.48Å; K892-T901 PolarHBondContact O-N 2.93Å; K892-T901 PolarHBondContact O-OG1 3.39Å; K892-T901 VanDerWaalsContact O-OG1 3.1Å; I899-T901 HydrophobicContact CG2-CG2 4.17Å
902	Q	79.8	Confident	79.3	Confident	11 Å²	11	77.6 Å²	77.6	5%	0.051	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.2	162.8	-166.3	172.4	-10.8	0	0	109.3	V836 C857 I858 F891	V836-Q902 VanDerWaalsContact CG2-OE1 3.24Å; C857-Q902 VanDerWaalsContact CA-O 3.28Å; C857-Q902 WeakPolarHBondContact CA-O 3.42Å; I858-Q902 HydrophobicContact CB-CB 4.46Å; I858-Q902 PolarHBondContact N-O 3.31Å; I858-Q902 PolarHBondContact O-N 3.48Å; F891-Q902 HydrophobicContact CD1-CB 3.7Å; F891-Q902 HydrophobicContact CD1-CG 3.85Å; F891-Q902 HydrophobicContact CE1-CB 3.46Å; F891-Q902 VanDerWaalsContact CE1-CB 3.46Å; F891-Q902 HydrophobicContact CE1-CG 3.43Å; F891-Q902 VanDerWaalsContact CE1-CG 3.43Å; F891-Q902 HydrophobicContact CZ-CB 4.45Å; F891-Q902 VanDerWaalsContact CZ-CD 3.47Å; F891-Q902 HydrophobicContact CZ-CG 3.98Å
903	F	72.4	Confident	79.1	Confident	97 Å²	97	72.8 Å²	72.8	43%	0.425	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	122.9	165.4	-62.7	-83.3	0	0	0	108.4	R890 K892	R890-F903 HydrophobicContact CB-CB 4.27Å; R890-F903 WeakPolarHBondContact CB-O 3.49Å; R890-F903 WeakPolarHBondContact CD-O 3.4Å; R890-F903 PolarHBondContact O-N 3.11Å; R890-F903 VanDerWaalsContact O-N 3.14Å; K892-F903 HydrophobicContact CB-CE2 4.05Å; K892-F903 HydrophobicContact CD-CE2 4.32Å
904	L	64.2	Low	78.9	Confident	75 Å²	75	75 Å²	75	39%	0.393	38%	0.378	S	S	.	.			trans	-72.9	0	174.4	-73.4	167.6	0	0	0	109.6	M855 K856 I858 R890	M855-L904 HydrophobicContact CB-CD1 4.15Å; M855-L904 WeakPolarHBondContact O-CD1 3.49Å; K856-L904 PolarHBondContact O-N 2.94Å; I858-L904 HydrophobicContact CD1-CD1 3.73Å; I858-L904 HydrophobicContact CD1-CD2 3.73Å; I858-L904 HydrophobicContact CD1-CG 3.73Å; I858-L904 HydrophobicContact CG1-CD1 4.16Å; I858-L904 HydrophobicContact CG1-CG 4.45Å; R890-L904 PolarHBondContact NH1-OXT 2.9Å

Retrieved 904 of 904 residues in 3136.1 ms (Link to these results)

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