A0A087XDF5_POEFO Loading...

Zinc finger protein 592

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087XDF5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,230 aa.

						>A0A087XDF5_POEFO|A0A087XDF5
MGDMKTPDFDDLLAAFDIPDATGLDSKEAIQESHEEIDNQLKHSVICLDDSLLSNPDATTADIPLVSVIVKNTSRQESLEGFSDQLHSVTALQNGFKGQEACVKPVEPSNTSFSNSFQADLNGEGSRELPGEIPLQQKPDETAVFSPSLSHFSPPYSPQTEALYSNNQKVSKQEGPCCLEARILAEPLVPGREQKSDIFLFDASPKNTKESTPENGRSNDHLSDSYIRGETENTTRACCPFTSLSSEQNFKEAESQNTEDVTNSYSSAKFQTSKLPLSNEAPIAPNTKKDPTETTDPTESSASNSDCVKANNMAAISPRSPRSPNVVKRLMKPSDSPVSLCSDSSGKTSPAVASVSSPAIPRVRIKTIKTTSGQIKRTVTSVLPDSETDEIHSAYESSPSQSMISEDSYCNVSPRQSQAVDCSPGSNPAACTSSPKMPRRSEEKSRGFRTGFHRSSRAVQRSVAHDAQKPKRASSTTGLTSNTNFLPKAMHLASLNLVPHSVAASVAARPSSHQQSQNILPSSVCSTVPLVHQVKTATPFPRSSAPNTAAGTLNRLLTSANPVPVYVPNLSPPPECNIKLPPRGYCCLECGDSFGVERSLAFHYNRRSVQIEVGCTHCAKTLVFFNRCALLAHAREHKSNGSVMQCTQLHLKPISEEQMFVPLSSESANTGPYPSTFVSPVSEPVMPLYPDGVIRNRFRCLECNKQLPDYKALAGHYQKMSEDVEGLICKVCSMLLPNKCSFRTHQRLHAHKSPYCCPECGAPSRSADIQKHVKENCLHYARKAWYKCLHCDMVFRTLLGQKTHVEEKHCEVLYKCSVCPVAFKTSDGCEVHLKNKHKSSRQTPQLVFKCSCKALFNKKHNFFQHFHENANKRVTCVFKCPECNSVFPQKRLLMQHFKTVHVGNMTADTEKDSKEKEGLDWFPESHPVQREKSHITRKNTDSPRKKSEQDPKSRVKPRGWTCGECLQCFAERESYVSHMKINHGKSMKKYPCRHCELSFNAATSLRRHIRSEHDGKRRIYSCWYCTDPKTTFTTSVMLKNHISLMHGIKNPDLRQMPKSSIKEFKSPSGKGIILASPVRRRQADTPDRSDLDAPSAKRLKAQFRCSKCGFTTDDSTEFQQHIPQHKTDENTPQCLHCGLCFTSVVSLNRHLFIVHKVKDPKEDEEEDKEEEEEEEEMRDVGRSVGSAVTAHVNDYKPSLDEEPENPPYTNTSDFHLKLKPLSQTDSASSQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.6	Very low	38.8	Very low	249 Å²	249	142.9 Å²	142.9	100%	1.227	77%	0.769	S	S	*	*				0	126.2	0	-48.4	-174.8	-55.5	0	0	106.7
2	G	33.8	Very low	39.7	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	75%	0.751	S	S	*	*			cis	176.1	119	-7.7	0	0	0	0	0	109.5	M4	G2-M4 PolarHBondContact O-N 2.85Å; G2-M4 VanDerWaalsContact O-N 3.11Å
3	D	35.3	Very low	40.2	Very low	164 Å²	164	137.7 Å²	137.7	88%	0.877	74%	0.738	S	S	*	*			trans	-74.4	101.4	-177.9	-66.2	-41.3	0	0	0	110.8	K5	D3-K5 VanDerWaalsContact C-N 3.25Å; D3-K5 PolarHBondContact O-N 3.49Å
4	M	37.3	Very low	40.6	Very low	186 Å²	186	133.6 Å²	133.6	92%	0.916	73%	0.733	S	S	*	*			trans	-74.7	84.7	160.4	-78.5	-172.6	65.9	0	0	109.1	G2 T6	G2-M4 PolarHBondContact O-N 2.85Å; G2-M4 VanDerWaalsContact O-N 3.11Å; M4-T6 PolarHBondContact O-N 3.22Å
5	K	40.6	Very low	40.4	Very low	175 Å²	175	129.2 Å²	129.2	76%	0.761	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-57.4	125.7	160	-79.2	-169.5	167.7	-156.6	0	108.9	D3	D3-K5 VanDerWaalsContact C-N 3.25Å; D3-K5 PolarHBondContact O-N 3.49Å
6	T	37.1	Very low	40.2	Very low	122 Å²	122	132.1 Å²	132.1	75%	0.748	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-72.6	151	156.3	40.4	0	0	0	0	108.5	M4	M4-T6 PolarHBondContact O-N 3.22Å
7	P	40.9	Very low	40	Very low	100 Å²	100	133.7 Å²	133.7	65%	0.649	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-65.7	142.6	-175.1	-19.5	32.5	0	0	0	112
8	D	39.7	Very low	39.4	Very low	112 Å²	112	135.2 Å²	135.2	60%	0.599	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-73	150.6	169.5	-81.4	-57.5	0	0	0	110.1	D10 D11	D8-D10 PolarHBondContact O-N 3.45Å; D8-D10 VanDerWaalsContact O-N 3.17Å; D8-D11 PolarHBondContact O-N 3.44Å
9	F	37.6	Very low	39.2	Very low	155 Å²	155	134.5 Å²	134.5	68%	0.68	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-67.1	-21.5	-165.9	-166.5	-102.7	0	0	0	114	L12 L13	F9-L12 PolarHBondContact O-N 3.4Å; F9-L13 HydrophobicContact CD1-CD1 4.32Å; F9-L13 HydrophobicContact CE1-CD1 4.34Å
10	D	45.1	Very low	39.2	Very low	122 Å²	122	136 Å²	136	65%	0.652	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-71.4	-29.7	179.4	-64.5	-39.1	0	0	0	112.9	D8 L12 L13 A14	D8-D10 PolarHBondContact O-N 3.45Å; D8-D10 VanDerWaalsContact O-N 3.17Å; D10-L12 PolarHBondContact O-N 3.26Å; D10-L13 PolarHBondContact O-N 3.43Å; D10-A14 PolarHBondContact O-N 2.98Å; D10-A14 VanDerWaalsContact O-N 3.13Å
11	D	45.6	Very low	38.8	Very low	117 Å²	117	133.7 Å²	133.7	63%	0.626	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-63.3	-24.9	174.5	-73.3	-29.5	0	0	0	111.9	D8	D8-D11 PolarHBondContact O-N 3.44Å
12	L	49.5	Very low	38.9	Very low	105 Å²	105	128.7 Å²	128.7	55%	0.55	73%	0.73	S	S	.	*	G	3₁₀ helix	trans	-82.9	-15.9	175.6	-65.7	173.7	0	0	0	113.3	F9 D10	F9-L12 PolarHBondContact O-N 3.4Å; D10-L12 PolarHBondContact O-N 3.26Å
13	L	46.4	Very low	38.8	Very low	113 Å²	113	127.8 Å²	127.8	59%	0.592	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-28.7	174.5	-72.5	168.6	0	0	0	111.9	F9 D10 A15	F9-L13 HydrophobicContact CD1-CD1 4.32Å; F9-L13 HydrophobicContact CE1-CD1 4.34Å; D10-L13 PolarHBondContact O-N 3.43Å; L13-A15 PolarHBondContact O-N 3.1Å; L13-A15 VanDerWaalsContact O-N 3.15Å
14	A	45.3	Very low	38.7	Very low	80 Å²	80	127.5 Å²	127.5	66%	0.661	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-9.6	169.5	0	0	0	0	0	114	D10	D10-A14 PolarHBondContact O-N 2.98Å; D10-A14 VanDerWaalsContact O-N 3.13Å
15	A	38.9	Very low	38.4	Very low	68 Å²	68	124.8 Å²	124.8	56%	0.562	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	2.9	-176.8	0	0	0	0	0	115.3	L13	L13-A15 PolarHBondContact O-N 3.1Å; L13-A15 VanDerWaalsContact O-N 3.15Å
16	F	36.6	Very low	37.9	Very low	176 Å²	176	121.6 Å²	121.6	77%	0.772	71%	0.707	S	S	*	*			trans	-134.2	48.7	-169.6	-70.4	-75.8	0	0	0	115.2
17	D	36.7	Very low	37.6	Very low	159 Å²	159	123.7 Å²	123.7	85%	0.85	71%	0.705	S	S	*	*			trans	-76.9	123.8	165.9	-97.2	-28.9	0	0	0	112
18	I	28.8	Very low	37.4	Very low	160 Å²	160	126.2 Å²	126.2	82%	0.821	71%	0.709	S	S	*	*			trans	-140.6	136.5	164.8	-64.6	-173.2	0	0	0	107.5
19	P	35.9	Very low	36.9	Very low	123 Å²	123	125.2 Å²	125.2	80%	0.799	72%	0.716	S	S	*	*			trans	-98.7	-179.5	-144.1	38.7	-39.7	0	0	0	118.1
20	D	38.9	Very low	36.5	Very low	163 Å²	163	124.8 Å²	124.8	87%	0.872	72%	0.719	S	S	*	*			trans	-52.3	160.4	-176.3	-70.5	-60.7	0	0	0	118.4
21	A	31.7	Very low	35.7	Very low	88 Å²	88	125 Å²	125	73%	0.727	72%	0.716	S	S	*	*			trans	-145.7	95.6	157.2	0	0	0	0	0	113.5
22	T	35.7	Very low	34.8	Very low	145 Å²	145	127.3 Å²	127.3	89%	0.89	72%	0.723	S	S	*	*			trans	42.7	140.8	138	57.4	0	0	0	0	123.1
23	G	31.2	Very low	33.7	Very low	51 Å²	51	127.1 Å²	127.1	53%	0.526	73%	0.731	S	S	.	*			trans	159.8	74	151.4	0	0	0	0	0	120.9	N325	G23-N325 PolarHBondContact O-ND2 2.97Å
24	L	34.2	Very low	33	Very low	157 Å²	157	129.2 Å²	129.2	82%	0.822	74%	0.737	S	S	*	*			trans	33.4	108.3	144.1	-54.6	177.7	0	0	0	121.8
25	D	29.7	Very low	32.3	Very low	129 Å²	129	133.2 Å²	133.2	69%	0.69	74%	0.742	S	S	*	*				36.9	131.7	109.1	-165.3	41.1	0	0	0	123.2
26	S	31	Very low	32	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	75%	0.751	S	S	*	*				179.4	173.2	125.8	34.2	0	0	0	0	111.5
27	K	31.2	Very low	31.7	Very low	166 Å²	166	135.5 Å²	135.5	72%	0.722	75%	0.747	S	S	*	*			trans	-150.1	162.1	-151.1	-153.9	-171.6	-179.5	-150.3	0	114
28	E	35.2	Very low	31.3	Very low	154 Å²	154	132 Å²	132	72%	0.72	73%	0.728	S	S	*	*			trans	79.4	165	148.1	-101.5	155.1	-153.8	0	0	123.1
29	A	29.3	Very low	31.3	Very low	90 Å²	90	126.6 Å²	126.6	74%	0.744	70%	0.701	S	S	*	*			trans	83.4	143.1	166.6	0	0	0	0	0	121.3
30	I	29.7	Very low	31.2	Very low	147 Å²	147	126 Å²	126	75%	0.754	69%	0.687	S	S	*	*			cis	-171	159.8	-36.9	-118.3	167.5	0	0	0	111.3
31	Q	29.4	Very low	31	Very low	127 Å²	127	123.3 Å²	123.3	59%	0.593	67%	0.672	S	S	*	*			trans	63.1	128.8	160.8	-90.6	20	46.1	0	0	124.3
32	E	26.6	Very low	30.9	Very low	164 Å²	164	126.6 Å²	126.6	77%	0.766	67%	0.67	S	S	*	*				57.8	147.1	122.1	-71.2	165.3	-157.4	0	0	122.2
33	S	26	Very low	30.7	Very low	102 Å²	102	127.5 Å²	127.5	71%	0.713	66%	0.664	S	S	*	*			cis	-149.5	-160.5	11.2	50.5	0	0	0	0	110.2
34	H	31.1	Very low	30.5	Very low	156 Å²	156	130 Å²	130	72%	0.722	67%	0.673	S	S	*	*			cis	-152.2	-127	7.1	-141.6	-57.7	0	0	0	112.5
35	E	29.7	Very low	30.2	Very low	165 Å²	165	128.3 Å²	128.3	77%	0.771	67%	0.669	S	S	*	*			trans	-148.2	164.2	-155.7	-71.5	170	151.7	0	0	113.6
36	E	33.2	Very low	30.2	Very low	160 Å²	160	129.3 Å²	129.3	75%	0.748	67%	0.673	S	S	*	*			cis	-146.7	-113.2	-28	-146.3	-66.6	87.6	0	0	110.1
37	I	31.3	Very low	30	Very low	132 Å²	132	129.6 Å²	129.6	68%	0.677	67%	0.674	S	S	*	*			cis	-160	-177.7	-0.3	-154.6	159.5	0	0	0	113
38	D	28.6	Very low	29.9	Very low	85 Å²	85	128.3 Å²	128.3	46%	0.455	67%	0.674	S	S	.	*			trans	-53.8	132.1	-168	-86.2	-69.3	0	0	0	123
39	N	28.3	Very low	29.5	Very low	47 Å²	47	127.5 Å²	127.5	25%	0.251	67%	0.674	S	S	.	*				47.9	145.2	89	-40.8	-30.9	0	0	0	120.6	R1081	N39-R1081 VanDerWaalsContact CG-NH1 3.27Å; N39-R1081 PolarHBondContact ND2-NH1 3.39Å; N39-R1081 WeakPolarHBondContact OD1-CB 3.3Å; N39-R1081 WeakPolarHBondContact OD1-CD 3.29Å
40	Q	33.5	Very low	29.4	Very low	111 Å²	111	129.8 Å²	129.8	52%	0.519	67%	0.674	S	S	.	*				-176.5	150	63	-80.1	-162.7	40.9	0	0	117.2	Q1082	Q40-Q1082 VanDerWaalsContact CA-OE1 3.25Å
41	L	33.8	Very low	29.2	Very low	106 Å²	106	127.2 Å²	127.2	56%	0.555	67%	0.67	S	S	*	*			trans	61.5	169.8	138.6	-60.3	-177.7	0	0	0	122.3
42	K	29.8	Very low	29.1	Very low	157 Å²	157	128.4 Å²	128.4	68%	0.683	68%	0.679	S	S	*	*			cis	-164.7	153.8	-1.8	-129.1	172.6	-178.7	177.4	0	116
43	H	32.5	Very low	29.1	Very low	164 Å²	164	128 Å²	128	76%	0.759	68%	0.681	S	S	*	*			trans	51.1	164.6	148.1	-80.2	-46.9	0	0	0	123.4
44	S	27.1	Very low	29	Very low	102 Å²	102	129 Å²	129	71%	0.713	69%	0.688	S	S	*	*			cis	-164.8	-160	-11.8	47.3	0	0	0	0	108.9
45	V	27.1	Very low	28.7	Very low	122 Å²	122	129.1 Å²	129.1	74%	0.739	69%	0.694	S	S	*	*			cis	-164.3	164	2.9	75.8	0	0	0	0	112.8
46	I	30.3	Very low	29.6	Very low	150 Å²	150	125.9 Å²	125.9	77%	0.769	69%	0.687	S	S	*	*			trans	63.9	156.7	154	-136	168.3	0	0	0	123.9
47	C	27.4	Very low	29.2	Very low	115 Å²	115	125.5 Å²	125.5	78%	0.777	69%	0.691	S	S	*	*			trans	-162.1	166.6	170.4	-84	0	0	0	0	111.7
48	L	28.5	Very low	28.9	Very low	139 Å²	139	122.3 Å²	122.3	73%	0.728	68%	0.684	S	S	*	*			trans	-147.1	-178.6	172	-82.6	-175.5	0	0	0	113.4	N1130	L48-N1130 PolarHBondContact O-OD1 2.92Å
49	D	25.5	Very low	28.8	Very low	136 Å²	136	124.4 Å²	124.4	73%	0.727	70%	0.7	S	S	*	*			trans	-146.6	178.2	-132.7	-148	-10.6	0	0	0	118.2	N1130	D49-N1130 PolarHBondContact N-ND2 2.89Å; D49-N1130 PolarHBondContact O-ND2 3.34Å
50	D	27.7	Very low	28.8	Very low	138 Å²	138	128 Å²	128	74%	0.738	72%	0.724	S	S	*	*			trans	86.2	160.1	143.5	-137.7	-8.7	0	0	0	124.6
51	S	26.1	Very low	28.6	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	73%	0.731	S	S	*	*			trans	97.3	81.1	158.8	-68.2	0	0	0	0	123
52	L	27	Very low	28.1	Very low	151 Å²	151	129.2 Å²	129.2	79%	0.791	75%	0.746	S	S	*	*				71.1	146.9	112.1	-75.1	171.9	0	0	0	125.8
53	L	26.3	Very low	28.3	Very low	155 Å²	155	129.2 Å²	129.2	81%	0.812	75%	0.752	S	S	*	*			trans	68.8	118.3	157.5	-68.7	172.9	0	0	0	122.3
54	S	24.2	Very low	28.8	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	75%	0.749	S	S	*	*			trans	-166.9	133.7	139.8	-81.8	0	0	0	0	111.9
55	N	25.4	Very low	28.8	Very low	160 Å²	160	129.2 Å²	129.2	86%	0.856	75%	0.754	S	S	*	*			trans	-161.4	156.3	176.4	-119.6	2.5	0	0	0	107.9
56	P	48.1	Very low	28.7	Very low	96 Å²	96	129.1 Å²	129.1	62%	0.623	75%	0.754	S	S	*	*			cis	-134.1	-166.7	-42.2	29.7	-7.7	0	0	0	112.5
57	D	24.1	Very low	28.5	Very low	153 Å²	153	127.5 Å²	127.5	82%	0.818	76%	0.756	S	S	*	*				98.6	146.1	129.3	-103	-31.8	0	0	0	126.7
58	A	26.3	Very low	28.8	Very low	65 Å²	65	128.2 Å²	128.2	54%	0.537	76%	0.756	S	S	.	*			trans	72.7	112.7	140	0	0	0	0	0	124.8
59	T	26.8	Very low	28.7	Very low	128 Å²	128	129.3 Å²	129.3	79%	0.785	76%	0.761	S	S	*	*				67.5	160.1	127.7	65.6	0	0	0	0	120.6
60	T	27	Very low	29.4	Very low	124 Å²	124	129 Å²	129	76%	0.761	76%	0.764	S	S	*	*			cis	-157.7	159.8	-11.4	8.6	0	0	0	0	112
61	A	28.7	Very low	29.3	Very low	81 Å²	81	131.9 Å²	131.9	67%	0.669	77%	0.77	S	S	*	*			trans	70.9	149.9	139.2	0	0	0	0	0	124.7
62	D	25	Very low	29.4	Very low	161 Å²	161	134 Å²	134	86%	0.861	77%	0.774	S	S	*	*			trans	82.2	148.4	144.7	-65.4	-15.3	0	0	0	126.3
63	I	33.1	Very low	29.6	Very low	157 Å²	157	133 Å²	133	81%	0.805	77%	0.774	S	S	*	*			trans	-145.7	133.9	-169.3	-73.1	165.7	0	0	0	104.1
64	P	44	Very low	29.5	Very low	109 Å²	109	129.9 Å²	129.9	71%	0.708	77%	0.765	S	S	*	*				-160.7	160.6	111.8	38.9	-18.1	0	0	0	120.8
65	L	26	Very low	29.8	Very low	157 Å²	157	133.3 Å²	133.3	82%	0.822	76%	0.759	S	S	*	*			trans	86.6	136.9	135.1	-101.3	68.3	0	0	0	125
66	V	25.2	Very low	30	Very low	119 Å²	119	131.8 Å²	131.8	72%	0.721	75%	0.747	S	S	*	*			trans	6.4	137.2	163.2	-110.1	0	0	0	0	123
67	S	25.5	Very low	29.1	Very low	117 Å²	117	134.3 Å²	134.3	82%	0.818	75%	0.751	S	S	*	*				-179	161.9	97.2	-83.5	0	0	0	0	114.7
68	V	35.3	Very low	29.3	Very low	129 Å²	129	132.5 Å²	132.5	78%	0.782	75%	0.75	S	S	*	*			trans	-119.6	132.4	-178.2	175.4	0	0	0	0	110.7
69	I	26.4	Very low	29.6	Very low	163 Å²	163	137.5 Å²	137.5	84%	0.836	77%	0.766	S	S	*	*			trans	-134.6	134.7	159	-60.5	-177.7	0	0	0	109.2
70	V	38.7	Very low	29.7	Very low	128 Å²	128	139.6 Å²	139.6	78%	0.776	77%	0.767	S	S	*	*			trans	-124.5	132.3	167.9	174.7	0	0	0	0	107.7
71	K	27.2	Very low	29.9	Very low	199 Å²	199	136.5 Å²	136.5	87%	0.865	76%	0.76	S	S	*	*			trans	-146.6	153.2	163	-141.2	169.9	-175.8	179	0	111
72	N	28	Very low	30	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	77%	0.768	S	S	*	*			trans	-137.3	179.3	-173.4	-170.9	7.1	0	0	0	108.1
73	T	29.8	Very low	30.1	Very low	128 Å²	128	138 Å²	138	79%	0.785	76%	0.755	S	S	*	*			trans	79	151.1	-179.9	76.7	0	0	0	0	115.5
74	S	24.6	Very low	29.9	Very low	90 Å²	90	136.7 Å²	136.7	63%	0.629	75%	0.749	S	S	*	*			cis	-179.4	140.8	-20.5	166.7	0	0	0	0	111.6
75	R	30.3	Very low	29.5	Very low	196 Å²	196	139 Å²	139	74%	0.74	75%	0.75	S	S	*	*			trans	65.6	161.4	161.7	-74.1	166.7	166.7	-88.9	-5	116.2
76	Q	29.6	Very low	29.6	Very low	128 Å²	128	137.5 Å²	137.5	60%	0.598	74%	0.743	S	S	*	*			cis	-161	170.6	-1.7	-120.5	167	-76.4	0	0	108.8
77	E	28.6	Very low	29.8	Very low	149 Å²	149	140.1 Å²	140.1	70%	0.696	75%	0.747	S	S	*	*			cis	-131.1	-102.8	-7.6	-171	74.3	-74.9	0	0	112.3
78	S	30.3	Very low	29.9	Very low	114 Å²	114	139.1 Å²	139.1	80%	0.797	74%	0.74	S	S	*	*			cis	-155.5	-163.8	8.6	55.5	0	0	0	0	112.2
79	L	31.9	Very low	29.6	Very low	170 Å²	170	138.8 Å²	138.8	89%	0.89	74%	0.738	S	S	*	*			trans	-149.3	178.2	-155.2	-162.5	55.3	0	0	0	116.4
80	E	28.3	Very low	29.7	Very low	173 Å²	173	137 Å²	137	81%	0.808	74%	0.735	S	S	*	*			trans	86.9	127.3	167.9	-56.5	-161.2	138.4	0	0	119.9
81	G	30.6	Very low	29.2	Very low	59 Å²	59	135.2 Å²	135.2	61%	0.608	73%	0.733	S	S	*	*			cis	176.7	162.6	-10.2	0	0	0	0	0	116.3
82	F	30.9	Very low	29.4	Very low	191 Å²	191	133.4 Å²	133.4	84%	0.838	73%	0.732	S	S	*	*			trans	64.4	148.4	159.8	-53.2	-75.4	0	0	0	119.3
83	S	27.3	Very low	29.3	Very low	83 Å²	83	135.3 Å²	135.3	58%	0.58	74%	0.737	S	S	*	*			cis	-160.9	154.4	-7.8	-127.7	0	0	0	0	112.5
84	D	29.3	Very low	29.5	Very low	129 Å²	129	137.2 Å²	137.2	69%	0.69	74%	0.742	S	S	*	*			trans	62.5	145.1	142.6	-63.3	-43.1	0	0	0	123.8
85	Q	34.9	Very low	29.6	Very low	156 Å²	156	136.1 Å²	136.1	73%	0.729	75%	0.745	S	S	*	*			cis	-164.4	147.7	-15.2	-179.9	164.3	39.8	0	0	114
86	L	30	Very low	29.4	Very low	126 Å²	126	136.5 Å²	136.5	66%	0.66	75%	0.752	S	S	*	*			trans	59.8	135.3	163.3	-76.6	165.4	0	0	0	119
87	H	28.8	Very low	29.3	Very low	174 Å²	174	140 Å²	140	81%	0.806	77%	0.766	S	S	*	*			cis	-125.9	-124.7	38	-65.5	56.4	0	0	0	114.4
88	S	26.9	Very low	29.2	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	77%	0.768	S	S	*	*			trans	-135.3	147.8	-163.7	-157.3	0	0	0	0	111.1
89	V	30.4	Very low	29.1	Very low	122 Å²	122	139.1 Å²	139.1	74%	0.739	77%	0.768	S	S	*	*			cis	79.4	133.3	23.3	-167.7	0	0	0	0	111	A91	V89-A91 HydrophobicContact CG1-CB 4.34Å
90	T	27	Very low	28.7	Very low	126 Å²	126	138.8 Å²	138.8	77%	0.773	76%	0.762	S	S	*	*				-156.1	142.5	63.4	-64.2	0	0	0	0	108.4
91	A	27.7	Very low	28.6	Very low	89 Å²	89	135.6 Å²	135.6	74%	0.736	77%	0.766	S	S	*	*			cis	103.2	-172.8	29.6	0	0	0	0	0	114	V89	V89-A91 HydrophobicContact CG1-CB 4.34Å
92	L	32	Very low	28.3	Very low	161 Å²	161	138.8 Å²	138.8	84%	0.843	78%	0.777	S	S	*	*			trans	-113.2	170.7	-157.5	-74.8	167.4	0	0	0	115.8
93	Q	27.1	Very low	28.1	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	78%	0.777	S	S	*	*			trans	104.8	167.7	135.7	-123.4	161.9	2.5	0	0	120.4
94	N	32.8	Very low	28	Very low	167 Å²	167	141.6 Å²	141.6	89%	0.893	79%	0.79	S	S	*	*			trans	-106.1	156	-161.3	-52.9	-29.2	0	0	0	113.3
95	G	28	Very low	28.3	Very low	68 Å²	68	140.9 Å²	140.9	70%	0.701	79%	0.792	S	S	*	*			trans	169.7	106.1	155	0	0	0	0	0	120.9
96	F	25.6	Very low	27.8	Very low	203 Å²	203	139.7 Å²	139.7	89%	0.89	80%	0.795	S	S	*	*			trans	67.2	123.2	131.8	-90.7	-76.9	0	0	0	125.4
97	K	27.9	Very low	27.6	Very low	203 Å²	203	141.9 Å²	141.9	88%	0.883	80%	0.802	S	S	*	*				107.3	139.9	122.2	-138.4	175.4	-174.2	-173.6	0	120.9
98	G	26.6	Very low	28.2	Very low	72 Å²	72	138.5 Å²	138.5	74%	0.742	80%	0.796	S	S	*	*			trans	106.2	141.9	166.1	0	0	0	0	0	115.3
99	Q	26.4	Very low	28.1	Very low	171 Å²	171	138.5 Å²	138.5	80%	0.799	80%	0.796	S	S	*	*			cis	-156.3	174.1	-16.2	-164.8	159.6	-6.6	0	0	111
100	E	25.1	Very low	28	Very low	163 Å²	163	139.3 Å²	139.3	76%	0.762	80%	0.796	S	S	*	*			trans	-39.2	146.5	-174.4	-62.9	126.6	-125.6	0	0	120.7
101	A	26.1	Very low	28	Very low	107 Å²	107	139.5 Å²	139.5	88%	0.884	80%	0.797	S	S	*	*				-167.2	151.4	122.7	0	0	0	0	0	111.1
102	C	24.7	Very low	28	Very low	125 Å²	125	140.3 Å²	140.3	85%	0.845	80%	0.798	S	S	*	*			trans	-145.1	121.2	-179.2	178.2	0	0	0	0	112.4
103	V	25.7	Very low	27.8	Very low	140 Å²	140	141.8 Å²	141.8	85%	0.848	80%	0.797	S	S	*	*			trans	-145.7	114	165.3	-176.3	0	0	0	0	111.1
104	K	24.3	Very low	27.8	Very low	194 Å²	194	137.4 Å²	137.4	84%	0.843	79%	0.787	S	S	*	*			trans	-93.5	158.7	139.5	-78.9	-172.6	177.7	-172	0	106.4
105	P	36.7	Very low	27.5	Very low	114 Å²	114	136.9 Å²	136.9	74%	0.74	78%	0.784	S	S	*	*			cis	-132.8	-159.6	34.5	32.2	-6.6	0	0	0	112.1
106	V	24.7	Very low	27.4	Very low	131 Å²	131	138 Å²	138	79%	0.794	78%	0.781	S	S	*	*				-158.6	132.7	54.3	165	0	0	0	0	111.3
107	E	26.3	Very low	27.3	Very low	171 Å²	171	137 Å²	137	80%	0.799	78%	0.777	S	S	*	*			trans	-84.1	161.3	161.5	-113.2	-177.4	-125.8	0	0	109.3
108	P	39.7	Very low	27.1	Very low	103 Å²	103	134.7 Å²	134.7	67%	0.669	77%	0.769	S	S	*	*				-162.3	161.3	60	43.1	-21.2	0	0	0	120.3
109	S	26.3	Very low	27	Very low	97 Å²	97	135 Å²	135	68%	0.678	76%	0.764	S	S	*	*			trans	71.4	162.7	139.5	82.7	0	0	0	0	119.6
110	N	27	Very low	27	Very low	139 Å²	139	133.5 Å²	133.5	74%	0.743	76%	0.762	S	S	*	*			cis	-145	170.2	9.9	-141.7	-30.4	0	0	0	113.9
111	T	27.2	Very low	27.1	Very low	130 Å²	130	133.1 Å²	133.1	80%	0.798	77%	0.765	S	S	*	*			trans	70.8	162.2	-164.7	80	0	0	0	0	112.9
112	S	28.2	Very low	27.1	Very low	107 Å²	107	136 Å²	136	75%	0.748	77%	0.765	S	S	*	*			cis	-143.4	-178.1	9.2	-158.7	0	0	0	0	113.4
113	F	27.6	Very low	27.2	Very low	191 Å²	191	133.9 Å²	133.9	84%	0.838	76%	0.764	S	S	*	*			trans	-78.8	115.9	-168.3	-80.9	-95.8	0	0	0	115.5
114	S	26.6	Very low	27.2	Very low	90 Å²	90	137.1 Å²	137.1	63%	0.629	77%	0.77	S	S	*	*				44.4	120.7	122.3	-53.9	0	0	0	0	122
115	N	26.4	Very low	27.2	Very low	156 Å²	156	131.6 Å²	131.6	83%	0.834	77%	0.768	S	S	*	*				52.1	139	126.2	-65.8	-8	0	0	0	121.1
116	S	26.1	Very low	26.7	Very low	92 Å²	92	131.3 Å²	131.3	64%	0.643	77%	0.769	S	S	*	*			cis	-176.2	170.8	2.2	46	0	0	0	0	112.9
117	F	23.4	Very low	26.7	Very low	180 Å²	180	135.7 Å²	135.7	79%	0.789	77%	0.772	S	S	*	*			trans	81.8	138.1	156.3	-83.5	-75.7	0	0	0	122.6
118	Q	23.9	Very low	26.6	Very low	155 Å²	155	134.3 Å²	134.3	72%	0.724	77%	0.765	S	S	*	*			trans	33.9	109.5	150.1	-83.1	172.2	-100.1	0	0	123.6
119	A	25.5	Very low	25.9	Very low	78 Å²	78	136.9 Å²	136.9	65%	0.645	77%	0.773	S	S	*	*				72.6	158.8	98.1	0	0	0	0	0	123.6
120	D	25	Very low	26.4	Very low	140 Å²	140	138 Å²	138	75%	0.749	78%	0.777	S	S	*	*			trans	84.7	158	152.9	-61.2	-36.4	0	0	0	122
121	L	28	Very low	26.3	Very low	156 Å²	156	134.6 Å²	134.6	82%	0.817	78%	0.775	S	S	*	*			trans	83.4	101.6	165	-51.2	-172	0	0	0	121.2
122	N	26.8	Very low	26.3	Very low	166 Å²	166	138 Å²	138	89%	0.888	78%	0.782	S	S	*	*				20.8	137.9	124.1	-63.4	-7.8	0	0	0	120.8
123	G	26.9	Very low	26.2	Very low	81 Å²	81	140.5 Å²	140.5	84%	0.835	79%	0.786	S	S	*	*			trans	-174.8	77.7	162.9	0	0	0	0	0	114.4
124	E	24.7	Very low	26.5	Very low	208 Å²	208	136.4 Å²	136.4	97%	0.972	78%	0.778	S	S	*	*			trans	-78.7	137.6	158.7	-71.1	-171.9	118.1	0	0	109.4
125	G	24.6	Very low	26.3	Very low	78 Å²	78	139.4 Å²	139.4	80%	0.804	79%	0.786	S	S	*	*			trans	-174.7	99.1	178.8	0	0	0	0	0	112.3
126	S	24.9	Very low	26.3	Very low	109 Å²	109	139.3 Å²	139.3	76%	0.762	78%	0.781	S	S	*	*			trans	-96.9	161.5	178.3	-63.2	0	0	0	0	112
127	R	25.7	Very low	26.3	Very low	222 Å²	222	142.9 Å²	142.9	84%	0.838	79%	0.787	S	S	*	*			trans	76.8	165.9	167.2	-40.4	-174.7	-174.1	172.7	-0.5	113.8
128	E	24.4	Very low	26.4	Very low	142 Å²	142	140.9 Å²	140.9	66%	0.664	78%	0.778	S	S	*	*			cis	-155.6	132.2	14.8	-152.2	149.1	-109.4	0	0	114.4
129	L	25.4	Very low	27.3	Very low	158 Å²	158	139 Å²	139	83%	0.827	78%	0.78	S	S	*	*			trans	50.9	-156.8	153.7	-87.9	76	0	0	0	117.8
130	P	36.6	Very low	27.5	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	78%	0.775	S	S	*	*				-130.9	174.7	-85.3	41.5	-27.1	0	0	0	115
131	G	24.8	Very low	27.9	Very low	68 Å²	68	141.3 Å²	141.3	70%	0.701	78%	0.776	S	S	*	*			trans	157.3	133.6	152.5	0	0	0	0	0	119
132	E	26.7	Very low	28.2	Very low	200 Å²	200	138.2 Å²	138.2	94%	0.935	76%	0.764	S	S	*	*			trans	67.5	140.2	146	-50.6	-135.1	123.7	0	0	122.8
133	I	25.6	Very low	28.2	Very low	161 Å²	161	134.8 Å²	134.8	83%	0.826	76%	0.758	S	S	*	*			trans	-144.9	129	-178.2	-71.3	162.6	0	0	0	103.4
134	P	34.7	Very low	28.2	Very low	105 Å²	105	136.1 Å²	136.1	68%	0.682	75%	0.75	S	S	*	*				-157.5	149.1	106.6	36.9	-16.7	0	0	0	118.9
135	L	23	Very low	28.2	Very low	152 Å²	152	134.9 Å²	134.9	80%	0.796	74%	0.741	S	S	*	*			trans	62.9	138.7	142.8	-65.8	168.3	0	0	0	121.9
136	Q	25.8	Very low	28.7	Very low	155 Å²	155	136.3 Å²	136.3	72%	0.724	74%	0.739	S	S	*	*			trans	66.8	143.2	160.1	-71.6	173.6	-102.2	0	0	117.3
137	Q	25.6	Very low	29.1	Very low	167 Å²	167	136.1 Å²	136.1	78%	0.78	74%	0.735	S	S	*	*			cis	-153.5	176.7	-7.6	-136.1	158.2	-15.5	0	0	112.7
138	K	26.2	Very low	28.9	Very low	138 Å²	138	130.4 Å²	130.4	60%	0.6	73%	0.73	S	S	*	*			trans	-55.4	170	167.5	-111.3	-166.2	171.9	-162.2	0	112.6	D140 T142	K138-D140 WeakPolarHBondContact CD-OD1 3.47Å; K138-D140 WeakPolarHBondContact CE-OD1 3.2Å; K138-D140 IonicContact NZ-OD1 3.27Å; K138-D140 PolarHBondContact NZ-OD1 2.99Å; K138-T142 PolarHBondContact NZ-OG1 2.81Å
139	P	42.2	Very low	28.9	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	74%	0.735	S	S	*	*			cis	-132.9	-176.7	35.1	27	-2.3	0	0	0	114.2
140	D	30.2	Very low	29	Very low	101 Å²	101	128.1 Å²	128.1	54%	0.54	73%	0.73	S	S	.	*			cis	-156.8	173.5	-24.9	-107.7	-45.6	0	0	0	107.1	K138 T142	K138-D140 WeakPolarHBondContact CD-OD1 3.47Å; K138-D140 WeakPolarHBondContact CE-OD1 3.2Å; K138-D140 IonicContact NZ-OD1 3.27Å; K138-D140 PolarHBondContact NZ-OD1 2.99Å; D140-T142 PolarHBondContact OD1-OG1 3.42Å
141	E	32.7	Very low	28.5	Very low	164 Å²	164	131 Å²	131	77%	0.766	73%	0.732	S	S	*	*			cis	-141.5	136.6	5.8	-129.2	158.3	164.4	0	0	106.8
142	T	33.9	Very low	28.4	Very low	92 Å²	92	137.4 Å²	137.4	56%	0.564	74%	0.741	S	S	*	*				51.4	129.7	84.7	-22	0	0	0	0	111.7	K138 D140 V144	K138-T142 PolarHBondContact NZ-OG1 2.81Å; D140-T142 PolarHBondContact OD1-OG1 3.42Å; T142-V144 HydrophobicContact CG2-CG2 4.25Å
143	A	28.8	Very low	28.6	Very low	93 Å²	93	133 Å²	133	77%	0.769	73%	0.733	S	S	*	*			cis	-164.7	170	41.9	0	0	0	0	0	110.5
144	V	25.6	Very low	29.8	Very low	110 Å²	110	131.3 Å²	131.3	67%	0.667	73%	0.732	S	S	*	*			cis	-166.3	141.3	-14.9	125.5	0	0	0	0	109	T142	T142-V144 HydrophobicContact CG2-CG2 4.25Å
145	F	24.9	Very low	29.7	Very low	181 Å²	181	131.7 Å²	131.7	79%	0.794	74%	0.735	S	S	*	*			trans	46.4	113.9	154	-72	-123.4	0	0	0	121.9
146	S	34.1	Very low	29.6	Very low	108 Å²	108	134.8 Å²	134.8	76%	0.755	74%	0.738	S	S	*	*				-63.4	151.1	129	60.1	0	0	0	0	110.4
147	P	33.3	Very low	29.6	Very low	105 Å²	105	131.3 Å²	131.3	68%	0.682	73%	0.73	S	S	*	*				-158.1	175.4	87.3	42.3	-23.3	0	0	0	118.3
148	S	23.4	Very low	29.8	Very low	103 Å²	103	130 Å²	130	72%	0.72	74%	0.736	S	S	*	*			trans	75.5	166.1	139.5	73.8	0	0	0	0	123.1
149	L	24.4	Very low	29.7	Very low	149 Å²	149	131.1 Å²	131.1	78%	0.78	74%	0.744	S	S	*	*			trans	77.7	114.9	164.8	-76.5	156.8	0	0	0	120.2
150	S	27.3	Very low	28.9	Very low	102 Å²	102	131.9 Å²	131.9	71%	0.713	75%	0.746	S	S	*	*			trans	-69.7	142.9	156.4	50	0	0	0	0	111.7
151	H	25.4	Very low	28.7	Very low	180 Å²	180	134.9 Å²	134.9	83%	0.833	76%	0.757	S	S	*	*			trans	-143.1	161	151.4	-102.7	-82.6	0	0	0	111.3
152	F	23.3	Very low	29	Very low	203 Å²	203	131.5 Å²	131.5	89%	0.89	76%	0.757	S	S	*	*			trans	-76	159.8	179.4	-77.5	-119.8	0	0	0	111.7
153	S	30.3	Very low	28.6	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	77%	0.765	S	S	*	*			trans	-54.8	175.9	159.5	-36.3	0	0	0	0	112.4
154	P	51.6	Low	28.5	Very low	124 Å²	124	139 Å²	139	81%	0.805	77%	0.766	S	S	*	*			cis	-106.7	-158.7	-11.5	-0.7	27.8	0	0	0	110.7
155	P	31	Very low	28.5	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	77%	0.773	S	S	*	*			cis	-143.8	-175.3	19.7	42.5	-19.8	0	0	0	118.7
156	Y	22.4	Very low	28.5	Very low	218 Å²	218	136.7 Å²	136.7	86%	0.855	77%	0.767	S	S	*	*			trans	26.4	142.3	149	-85.9	-95.3	0	0	0	124.1
157	S	25.8	Very low	28.1	Very low	81 Å²	81	137.9 Å²	137.9	57%	0.566	77%	0.765	S	S	*	*			trans	58.6	120	146.9	-63	0	0	0	0	121.2	Q159	S157-Q159 VanDerWaalsContact C-N 3.34Å; S157-Q159 PolarHBondContact O-N 3.19Å; S157-Q159 VanDerWaalsContact O-N 3.15Å
158	P	28.3	Very low	27.6	Very low	140 Å²	140	141.9 Å²	141.9	91%	0.909	78%	0.775	S	S	*	*			trans	-78.1	85.1	150.2	33.7	-29.3	0	0	0	109.3
159	Q	24.9	Very low	27.9	Very low	162 Å²	162	146.4 Å²	146.4	76%	0.757	78%	0.782	S	S	*	*			trans	-123.4	85.1	166.1	-165.2	172.7	15.5	0	0	110.5	S157	S157-Q159 VanDerWaalsContact C-N 3.34Å; S157-Q159 PolarHBondContact O-N 3.19Å; S157-Q159 VanDerWaalsContact O-N 3.15Å
160	T	25.2	Very low	28	Very low	131 Å²	131	145.4 Å²	145.4	80%	0.804	78%	0.782	S	S	*	*			trans	-152.6	100.2	158.5	0.9	0	0	0	0	102.6
161	E	26.1	Very low	27.7	Very low	165 Å²	165	145.1 Å²	145.1	77%	0.771	78%	0.779	S	S	*	*				56.5	117.7	93.3	-70.3	-56.4	123.4	0	0	111.5
162	A	38.5	Very low	27.6	Very low	93 Å²	93	144.8 Å²	144.8	77%	0.769	78%	0.776	S	S	*	*			trans	-67	138.8	-176.1	0	0	0	0	0	110.9
163	L	26.7	Very low	27.5	Very low	140 Å²	140	143.4 Å²	143.4	73%	0.733	77%	0.772	S	S	*	*			trans	157.3	119.3	164.8	-85.4	151.9	0	0	0	105.6
164	Y	25.7	Very low	27.1	Very low	202 Å²	202	147.4 Å²	147.4	79%	0.792	78%	0.779	S	S	*	*			cis	-126.3	137.3	-2.6	-85.1	-95.6	0	0	0	111.1
165	S	25.6	Very low	25.9	Very low	114 Å²	114	144.6 Å²	144.6	80%	0.797	77%	0.772	S	S	*	*			trans	-142.3	148.9	149.9	-88.6	0	0	0	0	108.1
166	N	24.4	Very low	25.6	Very low	128 Å²	128	146 Å²	146	68%	0.684	78%	0.781	S	S	*	*	S	Bend	trans	72.4	118.7	-163.8	-63.9	-67.1	0	0	0	115.8
167	N	26	Very low	25.6	Very low	134 Å²	134	141 Å²	141	72%	0.717	78%	0.777	S	S	*	*				34.3	109.7	109.6	-50.2	-53.1	0	0	0	115.6	K169	N167-K169 PolarHBondContact O-N 2.91Å
168	Q	23.3	Very low	25.3	Very low	188 Å²	188	142.3 Å²	142.3	88%	0.879	79%	0.785	S	S	*	*			trans	-65.2	94.7	168.4	-167.3	176.3	29.5	0	0	109.7	V170	Q168-V170 VanDerWaalsContact C-N 3.33Å; Q168-V170 HydrophobicContact CG-CG2 4.45Å; Q168-V170 PolarHBondContact O-N 3.17Å
169	K	28.9	Very low	25	Very low	198 Å²	198	143.4 Å²	143.4	86%	0.861	78%	0.782	S	S	*	*			trans	-83.1	71.2	-170.7	-164.1	-177.8	-175.6	-178.3	0	111.6	N167 S171	N167-K169 PolarHBondContact O-N 2.91Å; K169-S171 PolarHBondContact O-N 3.43Å
170	V	27	Very low	25	Very low	129 Å²	129	141.2 Å²	141.2	78%	0.782	77%	0.772	S	S	*	*			trans	-76.5	114	166.3	-179.3	0	0	0	0	108.4	Q168	Q168-V170 VanDerWaalsContact C-N 3.33Å; Q168-V170 HydrophobicContact CG-CG2 4.45Å; Q168-V170 PolarHBondContact O-N 3.17Å
171	S	21.1	Very low	25.1	Very low	95 Å²	95	138.5 Å²	138.5	66%	0.664	76%	0.763	S	S	*	*			trans	-101.8	131.7	174.8	177.1	0	0	0	0	109.9	K169	K169-S171 PolarHBondContact O-N 3.43Å
172	K	23.3	Very low	25	Very low	174 Å²	174	140.6 Å²	140.6	76%	0.757	76%	0.764	S	S	*	*				179.3	124.1	126.5	-98.8	164.3	-177.3	-176.4	0	112.5
173	Q	22.1	Very low	24.5	Very low	173 Å²	173	142.6 Å²	142.6	81%	0.808	76%	0.76	S	S	*	*			trans	64.4	155.3	153.5	-70.5	160	-78.3	0	0	116.2
174	E	21.6	Very low	24.3	Very low	194 Å²	194	144.4 Å²	144.4	91%	0.907	77%	0.769	S	S	*	*			cis	-108.7	-166.7	12.7	-62.2	-177.2	126.4	0	0	114.2
175	G	26.6	Very low	24.3	Very low	65 Å²	65	138.3 Å²	138.3	67%	0.67	76%	0.761	S	S	*	*			trans	-83.1	-156.1	-178.7	0	0	0	0	0	114.3
176	P	24.2	Very low	24.4	Very low	141 Å²	141	142.3 Å²	142.3	92%	0.916	77%	0.767	S	S	*	*			cis	-88.1	162.9	21.1	-10.3	29.1	0	0	0	114.7
177	C	21.5	Very low	25.5	Very low	114 Å²	114	141 Å²	141	77%	0.77	77%	0.765	S	S	*	*			trans	-128.7	159.7	178.5	-156	0	0	0	0	111.6
178	C	21	Very low	25.4	Very low	109 Å²	109	141.9 Å²	141.9	74%	0.736	77%	0.769	S	S	*	*			trans	71.8	149.2	173.8	-54.1	0	0	0	0	115.7
179	L	22.2	Very low	25.7	Very low	163 Å²	163	139.2 Å²	139.2	85%	0.853	77%	0.765	S	S	*	*			cis	-150.6	-177.9	-12.1	-132.9	54.9	0	0	0	105.5
180	E	23.5	Very low	26.7	Very low	115 Å²	115	135.9 Å²	135.9	54%	0.537	76%	0.764	S	S	.	*			cis	-129.8	160.9	13.4	-170.3	-124	-126.6	0	0	110.3	R182	E180-R182 IonicContact OE1-CZ 2.72Å; E180-R182 IonicContact OE1-NE 2.97Å; E180-R182 PolarHBondContact OE1-NE 3.46Å; E180-R182 IonicContact OE1-NH2 3.9Å; E180-R182 PolarHBondContact OE1-NH2 3.21Å; E180-R182 WeakPolarHBondContact OE2-CG 3.46Å; E180-R182 IonicContact OE2-NE 2.81Å; E180-R182 PolarHBondContact OE2-NE 2.89Å
181	A	26.8	Very low	26.5	Very low	74 Å²	74	133 Å²	133	61%	0.612	76%	0.761	S	S	*	*			trans	-131.8	158.8	162.8	0	0	0	0	0	108.3	I183	A181-I183 WeakPolarHBondContact O-CD1 3.44Å; A181-I183 WeakPolarHBondContact O-CG1 3.4Å
182	R	25.3	Very low	27	Very low	210 Å²	210	139.3 Å²	139.3	79%	0.792	77%	0.77	S	S	*	*			trans	-118.3	108.1	166.7	-59.8	-162.8	171.9	-166.7	-7.7	109.9	E180	E180-R182 IonicContact OE1-CZ 2.72Å; E180-R182 IonicContact OE1-NE 2.97Å; E180-R182 PolarHBondContact OE1-NE 3.46Å; E180-R182 IonicContact OE1-NH2 3.9Å; E180-R182 PolarHBondContact OE1-NH2 3.21Å; E180-R182 WeakPolarHBondContact OE2-CG 3.46Å; E180-R182 IonicContact OE2-NE 2.81Å; E180-R182 PolarHBondContact OE2-NE 2.89Å
183	I	27	Very low	27.3	Very low	135 Å²	135	136.6 Å²	136.6	69%	0.692	76%	0.76	S	S	*	*				87	113.1	57.7	-70.8	164.2	0	0	0	111.7	A181	A181-I183 WeakPolarHBondContact O-CD1 3.44Å; A181-I183 WeakPolarHBondContact O-CG1 3.4Å
184	L	23.2	Very low	27.9	Very low	178 Å²	178	136 Å²	136	93%	0.932	76%	0.757	S	S	*	*			trans	-157.8	150.3	134.9	-86.6	-178.7	0	0	0	107.2
185	A	26.6	Very low	28.3	Very low	74 Å²	74	136.8 Å²	136.8	61%	0.612	76%	0.758	S	S	*	*				-171.7	134	-58.6	0	0	0	0	0	108.2
186	E	25.8	Very low	28.2	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	76%	0.757	S	S	*	*			trans	-156.3	166	171.7	-90.8	-135.5	119.1	0	0	112
187	P	47.5	Very low	28.2	Very low	100 Å²	100	138.1 Å²	138.1	65%	0.649	75%	0.749	S	S	*	*			trans	-127.5	168.2	-139.6	43.9	-33.3	0	0	0	120.2
188	L	24.3	Very low	28.4	Very low	153 Å²	153	139 Å²	139	80%	0.801	75%	0.745	S	S	*	*			trans	69.7	110.6	147	-100.5	81.7	0	0	0	123.9
189	V	30.2	Very low	28.5	Very low	132 Å²	132	142.5 Å²	142.5	80%	0.8	75%	0.748	S	S	*	*				76.1	145.8	118	163	0	0	0	0	121.6
190	P	48.8	Very low	28.7	Very low	128 Å²	128	140.6 Å²	140.6	83%	0.831	74%	0.738	S	S	*	*			trans	-139.3	-176.6	-150.7	44.2	-24.5	0	0	0	118.8
191	G	24.7	Very low	28.8	Very low	70 Å²	70	143.6 Å²	143.6	72%	0.722	75%	0.749	S	S	*	*			trans	166.5	155.2	160.9	0	0	0	0	0	110.1
192	R	31.2	Very low	28.6	Very low	227 Å²	227	147 Å²	147	86%	0.857	76%	0.758	S	S	*	*			cis	-169	159.4	-2.3	-107.6	-178.7	-166.1	-119.1	9.4	106
193	E	30.2	Very low	28.7	Very low	116 Å²	116	141.3 Å²	141.3	54%	0.542	76%	0.755	S	S	.	*			cis	-165.5	-177.2	-3.2	-147.1	177.3	-79.9	0	0	110.5
194	Q	34.3	Very low	28.5	Very low	161 Å²	161	140.3 Å²	140.3	75%	0.752	76%	0.76	S	S	*	*			trans	50.1	106.6	157.6	-65.7	-179.8	30	0	0	122
195	K	29.8	Very low	29.7	Very low	211 Å²	211	137 Å²	137	92%	0.917	75%	0.749	S	S	*	*				-167.8	-177.7	108.9	-109.7	178.6	-180	-179.2	0	112.2
196	S	24.3	Very low	29.9	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	76%	0.76	S	S	*	*			trans	-120.3	148.5	-151.6	53.6	0	0	0	0	116.6
197	D	24.3	Very low	29.8	Very low	140 Å²	140	140.3 Å²	140.3	75%	0.749	75%	0.754	S	S	*	*			trans	78.3	130.2	138.2	-72.9	-30.8	0	0	0	125.1
198	I	25.4	Very low	28.8	Very low	133 Å²	133	141 Å²	141	68%	0.682	76%	0.756	S	S	*	*			trans	86.7	109.3	131.9	-72.8	170.8	0	0	0	121.5
199	F	23.2	Very low	29.4	Very low	181 Å²	181	142 Å²	142	79%	0.794	75%	0.754	S	S	*	*			trans	56.9	176.2	143.2	-74.9	-114.7	0	0	0	119.9
200	L	25.8	Very low	29.4	Very low	123 Å²	123	143.5 Å²	143.5	64%	0.644	75%	0.753	S	S	*	*				-169.2	168.3	-58	-145.5	136.3	0	0	0	106.9
201	F	25.4	Very low	28.4	Very low	178 Å²	178	141.6 Å²	141.6	78%	0.781	74%	0.743	S	S	*	*			trans	79.3	122.6	161.3	-92.5	-63.9	0	0	0	122.6
202	D	23.4	Very low	28.4	Very low	147 Å²	147	144 Å²	144	79%	0.786	74%	0.744	S	S	*	*				80.8	166.3	127.5	-124.4	-24.9	0	0	0	125
203	A	26.7	Very low	29.2	Very low	89 Å²	89	138.2 Å²	138.2	74%	0.736	74%	0.735	S	S	*	*			trans	91.6	111.1	154.4	0	0	0	0	0	120.2
204	S	22.6	Very low	29.2	Very low	114 Å²	114	140.7 Å²	140.7	80%	0.797	75%	0.747	S	S	*	*			trans	-81.8	-178.6	147.2	-68.8	0	0	0	0	110.2
205	P	49.1	Very low	28.8	Very low	109 Å²	109	139.7 Å²	139.7	71%	0.708	75%	0.746	S	S	*	*			cis	-134	-180	-44.4	36.7	-20.4	0	0	0	113.2
206	K	31.1	Very low	28.7	Very low	190 Å²	190	132.9 Å²	132.9	83%	0.826	74%	0.736	S	S	*	*			trans	48.6	108.5	150.9	-71.2	173.2	180	177.2	0	120.2
207	N	23.8	Very low	28.9	Very low	151 Å²	151	140.1 Å²	140.1	81%	0.807	75%	0.749	S	S	*	*			trans	-165.7	166.3	131	-91.3	-43.4	0	0	0	106.9
208	T	26.3	Very low	29	Very low	113 Å²	113	139.1 Å²	139.1	69%	0.693	75%	0.753	S	S	*	*			cis	-143.8	145.2	17.7	-33.6	0	0	0	0	105.6
209	K	36.2	Very low	29.1	Very low	174 Å²	174	139.2 Å²	139.2	76%	0.757	76%	0.755	S	S	*	*				41.8	143.1	76.1	-68.9	-178.6	-177.9	-178.1	0	113.2
210	E	30.6	Very low	29.3	Very low	165 Å²	165	136.4 Å²	136.4	77%	0.771	75%	0.749	S	S	*	*			cis	-156.4	-176.7	46.8	-144	140.2	-123.5	0	0	109.7
211	S	27.8	Very low	29.4	Very low	88 Å²	88	137.9 Å²	137.9	62%	0.615	75%	0.752	S	S	*	*			cis	-163.1	149.8	20.8	59.2	0	0	0	0	115.5
212	T	25.1	Very low	29.7	Very low	121 Å²	121	136.8 Å²	136.8	74%	0.742	75%	0.753	S	S	*	*			trans	63.6	157.5	135.1	54.6	0	0	0	0	123.2
213	P	48.5	Very low	30.2	Very low	104 Å²	104	133.8 Å²	133.8	68%	0.675	74%	0.744	S	S	*	*			cis	-149	-179.3	-30.7	42	-23.9	0	0	0	117.1
214	E	28.6	Very low	30.4	Very low	169 Å²	169	136.3 Å²	136.3	79%	0.79	75%	0.745	S	S	*	*			trans	64.9	145.4	145.2	-66.4	-100	149.8	0	0	120.9
215	N	26.7	Very low	30.8	Very low	139 Å²	139	135.5 Å²	135.5	74%	0.743	74%	0.739	S	S	*	*			cis	-166.2	158.7	-22.3	-151.5	-23.1	0	0	0	110.4
216	G	28.1	Very low	29.8	Very low	69 Å²	69	140.4 Å²	140.4	71%	0.711	75%	0.745	S	S	*	*			trans	174	139.2	175.1	0	0	0	0	0	116.8
217	R	28.7	Very low	29.7	Very low	245 Å²	245	136.5 Å²	136.5	93%	0.925	73%	0.732	S	S	*	*			trans	-96.3	171	174	-56	175.8	177.4	174.5	-2.7	109.8
218	S	26.2	Very low	30	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	73%	0.729	S	S	*	*			cis	-155	-167.6	23.7	-41.8	0	0	0	0	112.4
219	N	27.9	Very low	30.1	Very low	136 Å²	136	136.2 Å²	136.2	73%	0.727	73%	0.726	S	S	*	*			trans	-103.1	166.6	-166.5	-134	54.4	0	0	0	114.8
220	D	27.2	Very low	29.8	Very low	122 Å²	122	135 Å²	135	65%	0.652	72%	0.723	S	S	*	*			trans	66.5	154.6	158.1	-55.5	-44.7	0	0	0	119.1
221	H	27.8	Very low	29.6	Very low	154 Å²	154	132.1 Å²	132.1	71%	0.713	72%	0.717	S	S	*	*			cis	-161.5	148	4.9	-129.2	-34.3	0	0	0	110.9
222	L	30.4	Very low	29.6	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	72%	0.72	S	S	*	*			trans	61.5	156.7	154	-68.9	160.5	0	0	0	119.6
223	S	34.4	Very low	29.6	Very low	83 Å²	83	134.7 Å²	134.7	58%	0.58	71%	0.714	S	S	*	*			cis	-154.5	173.6	-13.5	60.7	0	0	0	0	111.3
224	D	31	Very low	28.5	Very low	143 Å²	143	134.4 Å²	134.4	77%	0.765	71%	0.711	S	S	*	*			trans	65.5	157.9	161.5	-62.7	-57.4	0	0	0	118.8
225	S	31.1	Very low	28.3	Very low	97 Å²	97	132 Å²	132	68%	0.678	71%	0.708	S	S	*	*			cis	-155	143.4	-9.1	38.6	0	0	0	0	108.2
226	Y	27.8	Very low	28.7	Very low	212 Å²	212	136.1 Å²	136.1	83%	0.831	71%	0.713	S	S	*	*				52.5	132	83.1	-93.6	-51.8	0	0	0	113.3
227	I	30.1	Very low	28.5	Very low	108 Å²	108	137.4 Å²	137.4	55%	0.554	72%	0.717	S	S	*	*			cis	-159.6	148.6	31	-97.9	-77.1	0	0	0	110.9
228	R	29.2	Very low	28.2	Very low	197 Å²	197	131.5 Å²	131.5	74%	0.743	71%	0.712	S	S	*	*			trans	47.8	158.3	158.7	-81.8	172.6	-110.3	-75.9	1.8	121.3	E230	R228-E230 WeakPolarHBondContact CG-OE2 3.5Å; R228-E230 IonicContact NH1-OE2 3.33Å
229	G	28.6	Very low	29	Very low	61 Å²	61	131.3 Å²	131.3	63%	0.629	71%	0.709	S	S	*	*			cis	-154.8	141.4	-4.6	0	0	0	0	0	109.7
230	E	29.3	Very low	29.7	Very low	149 Å²	149	129.5 Å²	129.5	70%	0.696	71%	0.705	S	S	*	*				70.3	125.8	54.3	-63	-177.2	151.7	0	0	111.7	R228	R228-E230 WeakPolarHBondContact CG-OE2 3.5Å; R228-E230 IonicContact NH1-OE2 3.33Å
231	T	27	Very low	29.4	Very low	103 Å²	103	132.9 Å²	132.9	63%	0.632	71%	0.714	S	S	*	*			cis	-161.1	163.4	1.8	5	0	0	0	0	112.1
232	E	27	Very low	29.2	Very low	145 Å²	145	131.2 Å²	131.2	68%	0.678	72%	0.715	S	S	*	*			trans	67.1	164.3	142.6	-77.2	167.7	-119.5	0	0	119.9
233	N	26.8	Very low	29.2	Very low	119 Å²	119	128.9 Å²	128.9	64%	0.636	71%	0.712	S	S	*	*			cis	-136	127.9	-5.3	-110.7	-40.9	0	0	0	107
234	T	24.5	Very low	28.7	Very low	97 Å²	97	132.7 Å²	132.7	60%	0.595	73%	0.725	S	S	*	*				91.3	108.5	70.4	-69.2	0	0	0	0	113.6
235	T	24.4	Very low	28.8	Very low	119 Å²	119	130.2 Å²	130.2	73%	0.73	72%	0.718	S	S	*	*			trans	71.7	167.4	156	72	0	0	0	0	116.6
236	R	34.8	Very low	28.5	Very low	226 Å²	226	131 Å²	131	85%	0.853	72%	0.723	S	S	*	*			cis	-148.4	134.2	15.8	-151.8	156.1	-172.1	168.7	1.7	114.4
237	A	23.8	Very low	28.2	Very low	96 Å²	96	128.1 Å²	128.1	79%	0.793	72%	0.718	S	S	*	*			trans	40.8	93.9	156.8	0	0	0	0	0	118
238	C	23.3	Very low	28	Very low	121 Å²	121	129.7 Å²	129.7	82%	0.818	72%	0.723	S	S	*	*			trans	-104	159.3	149.3	-165.7	0	0	0	0	108.7
239	C	43.1	Very low	27.7	Very low	114 Å²	114	125.6 Å²	125.6	77%	0.77	72%	0.716	S	S	*	*			trans	67.3	164	-176.7	-56.3	0	0	0	0	114.5
240	P	42.6	Very low	27.3	Very low	98 Å²	98	132.9 Å²	132.9	64%	0.636	73%	0.73	S	S	*	*			cis	-122.5	-170.7	4.2	42.4	-28.1	0	0	0	113.4
241	F	21.3	Very low	27	Very low	193 Å²	193	134 Å²	134	85%	0.846	73%	0.733	S	S	*	*				-173	173.3	114.6	-101.9	-65.2	0	0	0	113.2
242	T	22.9	Very low	26.8	Very low	120 Å²	120	137.9 Å²	137.9	74%	0.736	74%	0.744	S	S	*	*			trans	-85.6	167.8	-155.2	38.1	0	0	0	0	116.5
243	S	29.8	Very low	26.6	Very low	106 Å²	106	135.2 Å²	135.2	74%	0.741	75%	0.746	S	S	*	*	S	Bend	trans	-60.5	147.3	158.7	49.5	0	0	0	0	112.9
244	L	24.9	Very low	26.6	Very low	163 Å²	163	138.3 Å²	138.3	85%	0.853	76%	0.757	S	S	*	*	S	Bend	trans	40.6	77.2	157.8	-100.3	157.3	0	0	0	117.3
245	S	31.9	Very low	26.8	Very low	91 Å²	91	139 Å²	139	64%	0.636	77%	0.766	S	S	*	*			trans	56.5	127.1	143.7	58.4	0	0	0	0	121
246	S	25.5	Very low	27.3	Very low	112 Å²	112	141 Å²	141	78%	0.783	77%	0.767	S	S	*	*			trans	75.3	162.2	160.7	-42.8	0	0	0	0	114.2
247	E	21.4	Very low	26.9	Very low	153 Å²	153	136.4 Å²	136.4	72%	0.715	76%	0.76	S	S	*	*			cis	-137.1	161.5	18.7	-75.8	-169.4	114.9	0	0	114.5
248	Q	25.2	Very low	27.1	Very low	140 Å²	140	136.6 Å²	136.6	65%	0.654	75%	0.751	S	S	*	*			trans	31.8	136.2	138.9	-53.8	167.4	33.7	0	0	120.4
249	N	23.1	Very low	27.4	Very low	112 Å²	112	138.8 Å²	138.8	60%	0.599	75%	0.749	S	S	*	*				-178.5	124.4	106.4	-100.5	-83.7	0	0	0	111.8
250	F	21.1	Very low	26.7	Very low	213 Å²	213	139.7 Å²	139.7	93%	0.934	75%	0.747	S	S	*	*			trans	-130.3	137.8	133	-115.6	-87.2	0	0	0	105.9
251	K	23	Very low	26.1	Very low	172 Å²	172	140.1 Å²	140.1	75%	0.748	75%	0.747	S	S	*	*			trans	-130.4	100	-179.8	-86.1	-175.5	178.5	-177.8	0	110.1
252	E	21.8	Very low	26.2	Very low	186 Å²	186	136.5 Å²	136.5	87%	0.869	74%	0.741	S	S	*	*			trans	-160.8	112.9	153.5	-102.7	155.5	-164.8	0	0	103
253	A	24	Very low	26.3	Very low	88 Å²	88	137.6 Å²	137.6	73%	0.727	74%	0.742	S	S	*	*				96.9	124.1	63.9	0	0	0	0	0	111
254	E	26.6	Very low	26.1	Very low	184 Å²	184	136.5 Å²	136.5	86%	0.86	74%	0.735	S	S	*	*			trans	71.2	121.3	166.1	-51.2	-162.2	129	0	0	121.2
255	S	29.4	Very low	26.1	Very low	113 Å²	113	139.4 Å²	139.4	79%	0.79	74%	0.736	S	S	*	*			trans	71.3	150.1	151	79.1	0	0	0	0	119.5
256	Q	33.2	Very low	25.8	Very low	159 Å²	159	139.5 Å²	139.5	74%	0.743	74%	0.737	S	S	*	*			cis	-164.4	147.8	-18.7	-115.7	177.7	15.9	0	0	109
257	N	27	Very low	26	Very low	131 Å²	131	139.5 Å²	139.5	70%	0.701	74%	0.737	S	S	*	*			trans	61.9	156.5	148.7	-59.6	-7.5	0	0	0	119
258	T	28.2	Very low	26.1	Very low	99 Å²	99	136.1 Å²	136.1	61%	0.607	74%	0.735	S	S	*	*			cis	-163.1	150.4	-13.9	19.4	0	0	0	0	108.4
259	E	29.2	Very low	26	Very low	167 Å²	167	138.7 Å²	138.7	78%	0.78	74%	0.744	S	S	*	*			trans	62	141.4	146	-69.9	164.3	-143.8	0	0	120.4
260	D	27.8	Very low	26	Very low	134 Å²	134	141.5 Å²	141.5	72%	0.717	75%	0.751	S	S	*	*			cis	-148.4	137.6	-11.2	-138.7	22.6	0	0	0	116
261	V	30.1	Very low	26.1	Very low	106 Å²	106	138.7 Å²	138.7	64%	0.642	74%	0.741	S	S	*	*			trans	40.6	106.4	138.4	172.8	0	0	0	0	120.5
262	T	24.9	Very low	26.3	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.724	74%	0.742	S	S	*	*			trans	29.1	144.1	133.7	77.1	0	0	0	0	121.1
263	N	25.1	Very low	26.4	Very low	142 Å²	142	131.5 Å²	131.5	76%	0.759	73%	0.727	S	S	*	*			cis	-157.7	155.2	33	-151.3	-2.5	0	0	0	116.2
264	S	25.5	Very low	27	Very low	84 Å²	84	137.2 Å²	137.2	59%	0.587	74%	0.736	S	S	*	*			trans	48.6	88.7	149.9	59.5	0	0	0	0	120.8
265	Y	24.9	Very low	26.9	Very low	224 Å²	224	136.6 Å²	136.6	88%	0.878	74%	0.738	S	S	*	*				47.4	109.4	116.1	-80.3	-82.7	0	0	0	121.6
266	S	24.8	Very low	27.7	Very low	93 Å²	93	136.9 Å²	136.9	65%	0.65	74%	0.737	S	S	*	*				47	128.3	125.2	67.9	0	0	0	0	122.6
267	S	29	Very low	27.3	Very low	112 Å²	112	137.5 Å²	137.5	78%	0.783	74%	0.744	S	S	*	*			trans	47.3	101	133.7	-52	0	0	0	0	118
268	A	23.7	Very low	27.6	Very low	82 Å²	82	135.2 Å²	135.2	68%	0.678	74%	0.739	S	S	*	*			cis	51.5	122.2	33.2	0	0	0	0	0	113.2
269	K	24.4	Very low	27.6	Very low	193 Å²	193	136.6 Å²	136.6	84%	0.839	74%	0.742	S	S	*	*			cis	-141.1	149.7	1.3	-88.4	146.4	-179.2	177	0	108.8
270	F	22.5	Very low	27.4	Very low	171 Å²	171	137 Å²	137	75%	0.75	75%	0.745	S	S	*	*				80	112.6	51	-101.2	-88.4	0	0	0	116.4
271	Q	24	Very low	27.4	Very low	154 Å²	154	134.8 Å²	134.8	72%	0.72	75%	0.745	S	S	*	*			trans	58.9	172.2	148.8	-77	173.1	-3.7	0	0	116.8
272	T	25.5	Very low	28.3	Very low	125 Å²	125	134.9 Å²	134.9	77%	0.767	75%	0.747	S	S	*	*			cis	-144.3	149.6	33.5	52.2	0	0	0	0	111.8
273	S	23.8	Very low	28.4	Very low	82 Å²	82	137 Å²	137	57%	0.573	75%	0.753	S	S	*	*			cis	57.6	84.6	26.7	74.4	0	0	0	0	115.7
274	K	38.2	Very low	28.4	Very low	208 Å²	208	134.2 Å²	134.2	90%	0.904	75%	0.749	S	S	*	*			trans	-63.4	147.4	-177.9	-62.9	-178.1	178.4	-177.7	0	113.2
275	L	24.8	Very low	29.3	Very low	171 Å²	171	135 Å²	135	90%	0.895	75%	0.752	S	S	*	*			trans	-127.7	139.3	165.4	-84.5	167.7	0	0	0	110.4
276	P	45.4	Very low	29.4	Very low	120 Å²	120	131.3 Å²	131.3	78%	0.779	75%	0.748	S	S	*	*			trans	-113.6	167.8	170.9	40.2	-31.3	0	0	0	113.2
277	L	24.9	Very low	29.5	Very low	171 Å²	171	133.3 Å²	133.3	90%	0.895	76%	0.756	S	S	*	*			trans	-159.1	134.4	172.2	-159.1	73.7	0	0	0	107.6
278	S	33.1	Very low	29.4	Very low	83 Å²	83	137 Å²	137	58%	0.58	76%	0.758	S	S	*	*			cis	-164.9	-173.6	-14.8	54.7	0	0	0	0	110.5
279	N	28.3	Very low	29.6	Very low	128 Å²	128	142.7 Å²	142.7	68%	0.684	77%	0.767	S	S	*	*			trans	73.2	137.4	169.3	-56.5	40	0	0	0	115.4
280	E	25.4	Very low	29.8	Very low	177 Å²	177	140.6 Å²	140.6	83%	0.827	77%	0.765	S	S	*	*			cis	-148.2	-174.2	-4.6	-133	160.4	-116.6	0	0	111.5
281	A	27.3	Very low	30.8	Very low	87 Å²	87	138.3 Å²	138.3	72%	0.719	77%	0.768	S	S	*	*			trans	-140	-165.8	-168.4	0	0	0	0	0	110.5
282	P	48.8	Very low	31	Very low	107 Å²	107	136.8 Å²	136.8	70%	0.695	77%	0.769	S	S	*	*			cis	-137.1	-155.8	-7.3	27.7	-0.6	0	0	0	113.7
283	I	26.3	Very low	31.2	Very low	164 Å²	164	139.1 Å²	139.1	84%	0.841	77%	0.771	S	S	*	*			trans	99.8	141.7	155.4	-58.8	169.7	0	0	0	118.3
284	A	26.1	Very low	31.2	Very low	83 Å²	83	140.9 Å²	140.9	69%	0.686	78%	0.779	S	S	*	*			trans	-135.6	-160	178.7	0	0	0	0	0	107.5
285	P	44.9	Very low	30.5	Very low	101 Å²	101	136.6 Å²	136.6	66%	0.656	77%	0.77	S	S	*	*			cis	-144.7	-172.6	0.7	45.7	-26.6	0	0	0	116.6
286	N	26.8	Very low	30.6	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	77%	0.766	S	S	*	*			trans	62.5	172.4	151.1	-62.1	-25.4	0	0	0	118.2
287	T	25.1	Very low	30.4	Very low	135 Å²	135	135.4 Å²	135.4	83%	0.828	77%	0.765	S	S	*	*			cis	-147	178.7	5.1	-25.6	0	0	0	0	112
288	K	27.2	Very low	30.6	Very low	188 Å²	188	133.3 Å²	133.3	82%	0.817	76%	0.759	S	S	*	*			trans	-84.9	162.7	169.4	-61	173.5	176.3	176.9	0	113
289	K	27.6	Very low	30.3	Very low	202 Å²	202	137.5 Å²	137.5	88%	0.878	77%	0.77	S	S	*	*			trans	115.1	132.4	142.6	-68.9	-172.1	171.9	-174.5	0	118.5
290	D	30.4	Very low	30.4	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	77%	0.77	S	S	*	*			trans	-48.6	159.6	145.1	-74.2	-72.5	0	0	0	113.6
291	P	42.4	Very low	30.4	Very low	123 Å²	123	132.7 Å²	132.7	80%	0.799	77%	0.766	S	S	*	*			cis	-149.2	-157.9	49	44.5	-22.5	0	0	0	117.1
292	T	28.5	Very low	30.7	Very low	123 Å²	123	132.9 Å²	132.9	76%	0.755	77%	0.767	S	S	*	*			trans	-81.4	166.8	-167.7	44.8	0	0	0	0	117
293	E	28.9	Very low	29.6	Very low	173 Å²	173	132.4 Å²	132.4	81%	0.808	77%	0.766	S	S	*	*			trans	110.1	144.7	137.4	-117.9	168	-148.9	0	0	121.3
294	T	25.3	Very low	29.8	Very low	119 Å²	119	131.8 Å²	131.8	73%	0.73	77%	0.765	S	S	*	*			trans	79.4	99.5	163.6	51.8	0	0	0	0	123.4
295	T	23.7	Very low	30	Very low	118 Å²	118	132.5 Å²	132.5	72%	0.724	77%	0.765	S	S	*	*				65.9	110.8	128.8	55.6	0	0	0	0	123.7
296	D	25.4	Very low	29.1	Very low	151 Å²	151	134 Å²	134	81%	0.807	77%	0.767	S	S	*	*				55.7	143.9	109.8	-70.8	6.6	0	0	0	121.6
297	P	42.8	Very low	29.3	Very low	115 Å²	115	132.2 Å²	132.2	75%	0.747	77%	0.765	S	S	*	*			cis	-143.1	162	47.6	40	-20.8	0	0	0	120
298	T	28	Very low	29.4	Very low	128 Å²	128	131.2 Å²	131.2	79%	0.785	76%	0.758	S	S	*	*			trans	47.6	121.7	142.8	-57.2	0	0	0	0	119.1
299	E	26.3	Very low	29.3	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	76%	0.76	S	S	*	*			cis	-151.2	-157.9	0.5	-138.3	-157.3	-94.9	0	0	108
300	S	31.1	Very low	29.2	Very low	99 Å²	99	126 Å²	126	69%	0.692	75%	0.751	S	S	*	*			cis	-152.3	-173.3	11.9	62.5	0	0	0	0	109.3
301	S	26	Very low	28.9	Very low	105 Å²	105	125.8 Å²	125.8	73%	0.734	75%	0.75	S	S	*	*			cis	-155.3	-164.7	8.1	64.5	0	0	0	0	111
302	A	32.1	Very low	27.9	Very low	90 Å²	90	126.5 Å²	126.5	74%	0.744	75%	0.747	S	S	*	*			trans	-120.5	169.9	179.2	0	0	0	0	0	112.4
303	S	26.7	Very low	27.6	Very low	97 Å²	97	128.3 Å²	128.3	68%	0.678	75%	0.749	S	S	*	*			cis	-154.4	135.1	15.5	58.7	0	0	0	0	116.2
304	N	31	Very low	27.3	Very low	152 Å²	152	123.9 Å²	123.9	81%	0.813	74%	0.742	S	S	*	*			trans	50.6	143.4	130.5	-50.4	-10.5	0	0	0	122
305	S	30.4	Very low	27.2	Very low	98 Å²	98	122.8 Å²	122.8	69%	0.685	75%	0.745	S	S	*	*			cis	-165.6	-171.7	-12.1	56.8	0	0	0	0	107.7
306	D	25.8	Very low	27.1	Very low	133 Å²	133	124.4 Å²	124.4	71%	0.711	75%	0.748	S	S	*	*			cis	-146.1	-176.2	7.2	-102.7	-63.2	0	0	0	108.1
307	C	29.9	Very low	27.2	Very low	107 Å²	107	122.7 Å²	122.7	72%	0.723	75%	0.747	S	S	*	*			cis	78.5	149.9	30.3	-123.6	0	0	0	0	115.4
308	V	26.9	Very low	26.9	Very low	115 Å²	115	121.5 Å²	121.5	70%	0.697	74%	0.74	S	S	*	*			cis	-151.5	155.1	16.3	-153.1	0	0	0	0	113.3
309	K	26.1	Very low	26.7	Very low	197 Å²	197	126.7 Å²	126.7	86%	0.857	75%	0.745	S	S	*	*			trans	77.5	128.3	143.1	-108.6	-178.4	-178.1	174.4	0	125.4
310	A	25.1	Very low	26.7	Very low	83 Å²	83	123.7 Å²	123.7	69%	0.686	74%	0.742	S	S	*	*				95.8	115.3	124.8	0	0	0	0	0	124.8
311	N	24.8	Very low	26.9	Very low	145 Å²	145	124.1 Å²	124.1	78%	0.775	74%	0.743	S	S	*	*				62.9	114.9	127.2	-75	13	0	0	0	125.6
312	N	22.1	Very low	26.9	Very low	137 Å²	137	130.7 Å²	130.7	73%	0.733	75%	0.752	S	S	*	*				70.6	140.2	121	-85.4	-10.4	0	0	0	125.5
313	M	21.7	Very low	26.8	Very low	162 Å²	162	131.4 Å²	131.4	80%	0.798	75%	0.751	S	S	*	*			trans	76.4	98.7	142.5	-70.9	-66.1	177.9	0	0	122.5
314	A	22.8	Very low	27.3	Very low	80 Å²	80	130.8 Å²	130.8	66%	0.661	75%	0.745	S	S	*	*				66.4	110.6	109.9	0	0	0	0	0	123
315	A	21.7	Very low	27	Very low	96 Å²	96	129.1 Å²	129.1	79%	0.793	74%	0.736	S	S	*	*				84.5	-178.6	120.5	0	0	0	0	0	120.8
316	I	21.5	Very low	26.9	Very low	152 Å²	152	130.7 Å²	130.7	78%	0.779	74%	0.741	S	S	*	*			trans	83	94.4	172	-52	173.3	0	0	0	116.3
317	S	28.8	Very low	27	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	74%	0.74	S	S	*	*			trans	-69	147.1	150	172.4	0	0	0	0	110.2
318	P	35.1	Very low	27	Very low	90 Å²	90	133.1 Å²	133.1	58%	0.584	74%	0.743	S	S	*	*			trans	-151.3	162	133	36.7	-19.6	0	0	0	117.9
319	R	24.1	Very low	27	Very low	237 Å²	237	138.9 Å²	138.9	89%	0.894	75%	0.752	S	S	*	*			trans	77.8	105.8	143.7	-76.4	160.1	-171.6	178	1.7	121.7
320	S	27.2	Very low	27	Very low	107 Å²	107	137 Å²	137	75%	0.748	75%	0.75	S	S	*	*			trans	-56.3	164	140.7	177	0	0	0	0	112.3
321	P	34.8	Very low	27.1	Very low	109 Å²	109	141 Å²	141	71%	0.708	76%	0.757	S	S	*	*				-145.4	149.8	111.5	37.6	-23.3	0	0	0	117.8
322	R	25.6	Very low	27.3	Very low	243 Å²	243	141.1 Å²	141.1	92%	0.917	75%	0.75	S	S	*	*			trans	70.7	127.1	143.5	-73	176.8	176.6	-165.2	-3.4	122.2
323	S	31.1	Very low	28.7	Very low	105 Å²	105	140 Å²	140	73%	0.734	75%	0.751	S	S	*	*			trans	-91.6	179.4	149.8	52.5	0	0	0	0	111.1
324	P	36.4	Very low	28.8	Very low	84 Å²	84	137.6 Å²	137.6	55%	0.545	75%	0.75	S	S	.	*				-142.4	152.1	111.9	37	-23.6	0	0	0	116.5
325	N	25.8	Very low	28.8	Very low	117 Å²	117	141.2 Å²	141.2	63%	0.626	76%	0.758	S	S	*	*			trans	37.2	125.7	137.4	-50.4	-30.7	0	0	0	119.5	G23	G23-N325 PolarHBondContact O-ND2 2.97Å
326	V	28.1	Very low	29.4	Very low	131 Å²	131	140.8 Å²	140.8	79%	0.794	75%	0.749	S	S	*	*				-175.9	148.8	84.9	142.6	0	0	0	0	109.3
327	V	26.6	Very low	30.1	Very low	113 Å²	113	139 Å²	139	69%	0.685	75%	0.748	S	S	*	*			cis	-166.6	162.6	-24.5	75.4	0	0	0	0	108.8
328	K	30.3	Very low	30.1	Very low	178 Å²	178	139.2 Å²	139.2	77%	0.774	74%	0.743	S	S	*	*			trans	67.5	107.4	177.5	-66.2	167	-174.9	173.4	0	114.5
329	R	27.4	Very low	29.5	Very low	236 Å²	236	140 Å²	140	89%	0.891	75%	0.751	S	S	*	*				70.4	129.3	86.3	-75.2	-177.4	-175.6	178.7	2	112.6
330	L	26.6	Very low	29.4	Very low	157 Å²	157	135.4 Å²	135.4	82%	0.822	74%	0.744	S	S	*	*			cis	-152.6	173.7	4.3	-172.6	53.4	0	0	0	111.7
331	M	27.1	Very low	29.2	Very low	167 Å²	167	135.3 Å²	135.3	82%	0.823	74%	0.742	S	S	*	*			trans	-57.4	160.9	-170	-70.2	-72.2	103.5	0	0	118.5
332	K	29.1	Very low	28.8	Very low	147 Å²	147	135 Å²	135	64%	0.639	74%	0.742	S	S	*	*			trans	-79.1	-179.6	163.3	-115.7	-166.1	164.3	-179.7	0	111.1	T909	K332-T909 VanDerWaalsContact NZ-CB 3.33Å; K332-T909 PolarHBondContact NZ-O 3.49Å; K332-T909 PolarHBondContact NZ-OG1 3.45Å
333	P	51.7	Low	28.7	Very low	114 Å²	114	131.5 Å²	131.5	74%	0.74	74%	0.741	S	S	*	*			trans	-97.3	170.4	-151.6	40.7	-41	0	0	0	115.7
334	S	24	Very low	28.5	Very low	112 Å²	112	131.6 Å²	131.6	78%	0.783	74%	0.742	S	S	*	*			trans	-178.9	148.6	156.3	46	0	0	0	0	108.3
335	D	22	Very low	28.1	Very low	156 Å²	156	133.6 Å²	133.6	83%	0.834	76%	0.758	S	S	*	*			cis	-155.7	179.6	-16.1	-141.4	-49.2	0	0	0	109.6
336	S	34.6	Very low	28.1	Very low	86 Å²	86	131.1 Å²	131.1	60%	0.601	76%	0.761	S	S	*	*			trans	-70	155.8	161.4	-137.9	0	0	0	0	110.3
337	P	35.1	Very low	28.1	Very low	116 Å²	116	134.9 Å²	134.9	75%	0.753	77%	0.766	S	S	*	*				-152.3	140.7	76.6	37.8	-17.8	0	0	0	118.2
338	V	29.1	Very low	28	Very low	118 Å²	118	136 Å²	136	72%	0.715	77%	0.774	S	S	*	*			trans	-15.3	127.5	135.8	-180	0	0	0	0	116
339	S	23.9	Very low	28.1	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	77%	0.773	S	S	*	*			trans	178	156.2	130.3	43.4	0	0	0	0	113.5
340	L	21.6	Very low	28.4	Very low	142 Å²	142	127.8 Å²	127.8	74%	0.743	77%	0.772	S	S	*	*			cis	-165.2	156.7	-25.5	-108.8	173.8	0	0	0	107.9
341	C	22.3	Very low	28.4	Very low	105 Å²	105	124.5 Å²	124.5	71%	0.709	77%	0.767	S	S	*	*			trans	65.8	125.4	164.4	-68.4	0	0	0	0	116.1
342	S	27.3	Very low	28.5	Very low	102 Å²	102	123.4 Å²	123.4	71%	0.713	77%	0.769	S	S	*	*				65.7	107.2	73.7	-53.7	0	0	0	0	113.2
343	D	22.2	Very low	28.4	Very low	169 Å²	169	121.4 Å²	121.4	90%	0.904	78%	0.78	S	S	*	*				-165.7	167.4	113	-102.2	-19	0	0	0	112.8
344	S	27.1	Very low	27.2	Very low	107 Å²	107	121.2 Å²	121.2	75%	0.748	78%	0.781	S	S	*	*			trans	-108.3	135	-175.2	58.1	0	0	0	0	113.5
345	S	28	Very low	27.3	Very low	126 Å²	126	122.6 Å²	122.6	88%	0.881	79%	0.785	S	S	*	*			trans	79.8	92.7	154.1	-157.8	0	0	0	0	120.2
346	G	25.9	Very low	27.8	Very low	66 Å²	66	119.5 Å²	119.5	68%	0.68	78%	0.776	S	S	*	*				102.6	170.1	113.1	0	0	0	0	0	120
347	K	28.4	Very low	27.5	Very low	210 Å²	210	120.7 Å²	120.7	91%	0.913	78%	0.784	S	S	*	*			trans	76.4	145.3	-173.9	-54.1	167.2	-173.5	173.3	0	112.5
348	T	23.6	Very low	27.6	Very low	137 Å²	137	120.4 Å²	120.4	84%	0.84	78%	0.782	S	S	*	*			cis	-114.8	146.4	24.1	51.4	0	0	0	0	116.1
349	S	32.6	Very low	27.9	Very low	108 Å²	108	119.6 Å²	119.6	76%	0.755	79%	0.787	S	S	*	*			trans	-81.9	169.5	162.6	-49.1	0	0	0	0	111.2
350	P	35.1	Very low	28.3	Very low	133 Å²	133	121.8 Å²	121.8	86%	0.864	79%	0.789	S	S	*	*				-134	175.5	91.9	37.6	-26.9	0	0	0	115.3
351	A	25.3	Very low	29	Very low	87 Å²	87	117.9 Å²	117.9	72%	0.719	77%	0.773	S	S	*	*			trans	-82.2	171.4	-179.9	0	0	0	0	0	112.2
352	V	29.7	Very low	29.7	Very low	145 Å²	145	123.2 Å²	123.2	88%	0.879	78%	0.778	S	S	*	*			cis	-153.7	151.9	-3.8	-121.6	0	0	0	0	108.1
353	A	27.8	Very low	30.6	Very low	105 Å²	105	122.1 Å²	122.1	87%	0.868	77%	0.766	S	S	*	*			trans	-150.2	160.8	163.7	0	0	0	0	0	111
354	S	25.8	Very low	31.7	Very low	109 Å²	109	124 Å²	124	76%	0.762	76%	0.761	S	S	*	*			trans	-105.9	-174.2	-176.9	52.7	0	0	0	0	112.5
355	V	26.5	Very low	32.9	Very low	141 Å²	141	123.7 Å²	123.7	86%	0.855	75%	0.75	S	S	*	*			trans	84.9	149.2	173.2	-168.3	0	0	0	0	115.3
356	S	31.8	Very low	33.7	Very low	92 Å²	92	125.1 Å²	125.1	64%	0.643	74%	0.74	S	S	*	*			trans	-95.7	173.3	-173.1	54.1	0	0	0	0	113.7
357	S	27.8	Very low	35.3	Very low	110 Å²	110	125.2 Å²	125.2	77%	0.769	73%	0.728	S	S	*	*			trans	73	167.4	166.4	-44	0	0	0	0	115.6
358	P	37.1	Very low	36.5	Very low	111 Å²	111	120.2 Å²	120.2	72%	0.721	71%	0.71	S	S	*	*			cis	-123.2	-172.2	-29.5	32.9	-14.5	0	0	0	112.1
359	A	36.3	Very low	37.6	Very low	100 Å²	100	121.2 Å²	121.2	83%	0.826	70%	0.703	S	S	*	*			trans	-78.8	153.9	168.6	0	0	0	0	0	112.8
360	I	32.5	Very low	38.7	Very low	153 Å²	153	119.7 Å²	119.7	79%	0.785	69%	0.689	S	S	*	*			trans	-133.2	138.5	179.2	-67.7	-177.8	0	0	0	108.7
361	P	36.2	Very low	38.9	Very low	60 Å²	60	121.1 Å²	121.1	39%	0.39	70%	0.695	S	S	.	*			trans	-82.6	163.9	-155.5	31.6	-38	0	0	0	115.9	V363 L383	P361-V363 WeakPolarHBondContact O-CG2 3.5Å; P361-L383 HydrophobicContact CB-CD2 3.94Å
362	R	37.7	Very low	40.1	Very low	217 Å²	217	121.8 Å²	121.8	82%	0.819	69%	0.694	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.5	138.8	173.5	-57.6	-177.9	83.4	176.9	6.6	110	S381 V382	R362-S381 WeakPolarHBondContact O-CA 3.33Å; R362-V382 PolarHBondContact O-N 3Å
363	V	44.5	Very low	41.1	Very low	78 Å²	78	117.7 Å²	117.7	47%	0.473	68%	0.682	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.9	132.4	-170.9	-152	0	0	0	0	110.5	P361 V379 T380	P361-V363 WeakPolarHBondContact O-CG2 3.5Å; V363-V379 HydrophobicContact CB-CG1 4.34Å; V363-V379 HydrophobicContact CG1-CG1 3.31Å; V363-T380 CarbonylContact C-O 3.57Å; V363-T380 WeakPolarHBondContact CA-O 3.21Å; V363-T380 VanDerWaalsContact CG1-C 3.44Å; V363-T380 VanDerWaalsContact CG1-O 3.26Å; V363-T380 WeakPolarHBondContact CG1-O 3.34Å
364	R	45.9	Very low	41.7	Very low	208 Å²	208	119 Å²	119	79%	0.785	67%	0.67	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.5	129.7	-177.4	-166.1	171.1	-171.9	152.7	1.4	109.9	V379 T380	R364-V379 WeakPolarHBondContact O-CA 3.26Å; R364-T380 PolarHBondContact N-O 2.91Å; R364-T380 PolarHBondContact O-N 3.38Å
365	I	52.6	Low	43.1	Very low	101 Å²	101	117.5 Å²	117.5	52%	0.518	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.3	125.7	-178.4	-52.2	-168.7	0	0	0	109.5	R377 T378 V379	I365-R377 HydrophobicContact CG2-CB 4.02Å; I365-R377 HydrophobicContact CG2-CG 4.5Å; I365-T378 CarbonylContact C-O 3.58Å; I365-T378 WeakPolarHBondContact CA-O 3.38Å; I365-V379 HydrophobicContact CB-CG2 4.45Å; I365-V379 HydrophobicContact CD1-CG2 4.09Å; I365-V379 HydrophobicContact CG1-CB 4.49Å; I365-V379 HydrophobicContact CG1-CG1 4.19Å; I365-V379 HydrophobicContact CG1-CG2 3.92Å; I365-V379 HydrophobicContact CG2-CG2 4.11Å
366	K	45.6	Very low	44	Very low	156 Å²	156	118.2 Å²	118.2	68%	0.678	64%	0.644	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.9	128.2	170.8	-152.8	173.1	-174.7	-178.4	0	108.8	R377 T378	K366-R377 WeakPolarHBondContact O-CA 3.37Å; K366-T378 PolarHBondContact N-O 3.08Å; K366-T378 PolarHBondContact O-N 3.3Å
367	T	59	Low	44.8	Very low	69 Å²	69	121.4 Å²	121.4	42%	0.423	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.6	131.6	179	-58.3	0	0	0	0	108.8	I375 R377	T367-I375 HydrophobicContact CG2-CG2 3.39Å; T367-R377 HydrophobicContact CG2-CG 3.9Å; T367-R377 WeakPolarHBondContact OG1-CD 3.39Å; T367-R377 WeakPolarHBondContact OG1-CG 3.14Å; T367-R377 PolarHBondContact OG1-NE 3.43Å
368	I	52.5	Low	46.1	Very low	105 Å²	105	120.8 Å²	120.8	54%	0.538	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.6	132.8	175.5	-54.3	179.3	0	0	0	108.7	K376	I368-K376 PolarHBondContact N-O 3.47Å; I368-K376 PolarHBondContact O-N 3.16Å; I368-K376 VanDerWaalsContact O-N 3.08Å
369	K	46.9	Very low	46.5	Very low	158 Å²	158	119.4 Å²	119.4	69%	0.687	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.7	131.1	167.3	-81.6	-176.2	172.2	-172.2	0	108.6	I375	K369-I375 HydrophobicContact CG-CG1 4.07Å
370	T	55.4	Low	47	Very low	76 Å²	76	119.7 Å²	119.7	47%	0.466	62%	0.615	S	S	.	*			trans	-91	158.9	165.7	52.9	0	0	0	0	110.2	S372 G373 Q374	T370-S372 PolarHBondContact O-N 2.94Å; T370-S372 VanDerWaalsContact O-N 3.11Å; T370-S372 PolarHBondContact OG1-OG 2.87Å; T370-S372 VanDerWaalsContact OG1-OG 3.06Å; T370-G373 PolarHBondContact O-N 3.43Å; T370-Q374 PolarHBondContact N-O 2.87Å
371	T	39.1	Very low	47	Very low	163 Å²	163	116.1 Å²	116.1	100%	1	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-16.3	-178.8	42.3	0	0	0	0	114	G373	T371-G373 PolarHBondContact O-N 3.35Å
372	S	51.6	Low	47.3	Very low	100 Å²	100	118.6 Å²	118.6	70%	0.699	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	7.8	169.7	55.1	0	0	0	0	115.1	T370 Q374	T370-S372 PolarHBondContact O-N 2.94Å; T370-S372 VanDerWaalsContact O-N 3.11Å; T370-S372 PolarHBondContact OG1-OG 2.87Å; T370-S372 VanDerWaalsContact OG1-OG 3.06Å; S372-Q374 VanDerWaalsContact C-N 3.31Å; S372-Q374 PolarHBondContact O-N 3.41Å
373	G	51.3	Low	47.1	Very low	60 Å²	60	115 Å²	115	62%	0.619	61%	0.613	S	S	*	*	S	Bend	trans	83	-9.7	173.1	0	0	0	0	0	116.2	T370 T371	T370-G373 PolarHBondContact O-N 3.43Å; T371-G373 PolarHBondContact O-N 3.35Å
374	Q	39.7	Very low	46.8	Very low	132 Å²	132	116.4 Å²	116.4	62%	0.617	62%	0.624	S	S	*	*			trans	-78.8	150.3	178.4	-136.5	-179	42.6	0	0	112.4	T370 S372	T370-Q374 PolarHBondContact N-O 2.87Å; S372-Q374 VanDerWaalsContact C-N 3.31Å; S372-Q374 PolarHBondContact O-N 3.41Å
375	I	54.2	Low	45.9	Very low	77 Å²	77	114.3 Å²	114.3	40%	0.395	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.1	119.9	-177.4	-49.2	-173.9	0	0	0	109.5	T367 K369	T367-I375 HydrophobicContact CG2-CG2 3.39Å; K369-I375 HydrophobicContact CG-CG1 4.07Å
376	K	46.7	Very low	45	Very low	157 Å²	157	114.5 Å²	114.5	68%	0.683	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.7	149.5	169.2	-73.6	-174.6	177.9	179	0	111	I368	I368-K376 PolarHBondContact N-O 3.47Å; I368-K376 PolarHBondContact O-N 3.16Å; I368-K376 VanDerWaalsContact O-N 3.08Å
377	R	48.8	Very low	44.3	Very low	159 Å²	159	115.8 Å²	115.8	60%	0.6	65%	0.647	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132.6	134.1	-178.7	-63.4	-168.6	169.3	105.7	-3.7	110.2	I365 K366 T367	I365-R377 HydrophobicContact CG2-CB 4.02Å; I365-R377 HydrophobicContact CG2-CG 4.5Å; K366-R377 WeakPolarHBondContact O-CA 3.37Å; T367-R377 HydrophobicContact CG2-CG 3.9Å; T367-R377 WeakPolarHBondContact OG1-CD 3.39Å; T367-R377 WeakPolarHBondContact OG1-CG 3.14Å; T367-R377 PolarHBondContact OG1-NE 3.43Å
378	T	54.3	Low	42.9	Very low	97 Å²	97	118.1 Å²	118.1	60%	0.595	66%	0.662	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.6	154.2	175.6	47.2	0	0	0	0	110.6	I365 K366	I365-T378 CarbonylContact C-O 3.58Å; I365-T378 WeakPolarHBondContact CA-O 3.38Å; K366-T378 PolarHBondContact N-O 3.08Å; K366-T378 PolarHBondContact O-N 3.3Å
379	V	45.1	Very low	41.7	Very low	82 Å²	82	119.8 Å²	119.8	50%	0.497	67%	0.672	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.7	123.9	-153.2	-179	0	0	0	0	110	V363 R364 I365	V363-V379 HydrophobicContact CB-CG1 4.34Å; V363-V379 HydrophobicContact CG1-CG1 3.31Å; R364-V379 WeakPolarHBondContact O-CA 3.26Å; I365-V379 HydrophobicContact CB-CG2 4.45Å; I365-V379 HydrophobicContact CD1-CG2 4.09Å; I365-V379 HydrophobicContact CG1-CB 4.49Å; I365-V379 HydrophobicContact CG1-CG1 4.19Å; I365-V379 HydrophobicContact CG1-CG2 3.92Å; I365-V379 HydrophobicContact CG2-CG2 4.11Å
380	T	47.5	Very low	40.9	Very low	105 Å²	105	116.6 Å²	116.6	64%	0.644	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-141.8	145.2	179.4	49.7	0	0	0	0	113.3	V363 R364	V363-T380 CarbonylContact C-O 3.57Å; V363-T380 WeakPolarHBondContact CA-O 3.21Å; V363-T380 VanDerWaalsContact CG1-C 3.44Å; V363-T380 VanDerWaalsContact CG1-O 3.26Å; V363-T380 WeakPolarHBondContact CG1-O 3.34Å; R364-T380 PolarHBondContact N-O 2.91Å; R364-T380 PolarHBondContact O-N 3.38Å
381	S	33	Very low	39.8	Very low	79 Å²	79	115.8 Å²	115.8	55%	0.552	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.6	153.4	-169.5	51.5	0	0	0	0	114.7	R362	R362-S381 WeakPolarHBondContact O-CA 3.33Å
382	V	41	Very low	39.3	Very low	112 Å²	112	115.5 Å²	115.5	68%	0.679	64%	0.638	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-139.5	143.4	174	-173.3	0	0	0	0	110.4	R362	R362-V382 PolarHBondContact O-N 3Å
383	L	34.7	Very low	38.1	Very low	140 Å²	140	115.4 Å²	115.4	73%	0.733	64%	0.638	S	S	*	*			trans	-103.8	155.8	-179.2	-72.5	165.2	0	0	0	112.3	P361	P361-L383 HydrophobicContact CB-CD2 3.94Å
384	P	37.1	Very low	37	Very low	108 Å²	108	116.6 Å²	116.6	70%	0.701	64%	0.642	S	S	*	*			trans	-120.8	141.4	168.7	37.9	-25.4	0	0	0	113.9
385	D	28.9	Very low	36.5	Very low	165 Å²	165	120.1 Å²	120.1	88%	0.882	65%	0.651	S	S	*	*			trans	-109.4	174.9	170.1	-64.3	-55.5	0	0	0	111.8
386	S	32.7	Very low	35.1	Very low	105 Å²	105	122.6 Å²	122.6	73%	0.734	66%	0.661	S	S	*	*			trans	-149.1	-177.8	-161.8	51.5	0	0	0	0	115.3
387	E	31	Very low	34.3	Very low	182 Å²	182	117.8 Å²	117.8	85%	0.85	65%	0.647	S	S	*	*			trans	98.5	179.1	164.8	-55.1	-174.5	-160.6	0	0	118.2
388	T	29.1	Very low	33.4	Very low	118 Å²	118	113.9 Å²	113.9	72%	0.724	64%	0.644	S	S	*	*			trans	-145.1	146.1	-149.9	47.9	0	0	0	0	112.9
389	D	27	Very low	32.9	Very low	140 Å²	140	112.9 Å²	112.9	75%	0.749	64%	0.64	S	S	*	*			trans	66.4	148.8	160	-53.8	-21.8	0	0	0	117.6
390	E	31.7	Very low	32.2	Very low	92 Å²	92	113.1 Å²	113.1	43%	0.43	65%	0.645	S	S	.	*			cis	-154.2	161.1	-13.7	-104.5	-174.7	145.8	0	0	107	T432 S433 S434	E390-T432 CarbonylContact C-O 3.44Å; E390-T432 WeakPolarHBondContact CA-O 3.36Å; E390-T432 WeakPolarHBondContact CG-O 3.3Å; E390-S433 VanDerWaalsContact CB-O 3.28Å; E390-S433 WeakPolarHBondContact CB-O 3.43Å; E390-S433 WeakPolarHBondContact CG-O 3.47Å; E390-S433 WeakPolarHBondContact OE1-CB 3.45Å; E390-S433 PolarHBondContact OE1-OG 2.9Å; E390-S434 VanDerWaalsContact OE1-CB 3.31Å; E390-S434 WeakPolarHBondContact OE1-CB 3.21Å; E390-S434 PolarHBondContact OE1-OG 3.45Å; E390-S434 VanDerWaalsContact OE1-OG 3.13Å
391	I	31.3	Very low	31.5	Very low	58 Å²	58	115.9 Å²	115.9	30%	0.297	65%	0.651	S	S	.	*			trans	161.2	-178.3	165.2	-59.4	-129.9	0	0	0	117.6	T432 S433 S434	I391-T432 PolarHBondContact N-O 3.33Å; I391-T432 CarbonylContact O-C 3.56Å; I391-T432 PolarHBondContact O-N 3.48Å; I391-S433 WeakPolarHBondContact CG1-O 3.33Å; I391-S434 VanDerWaalsContact CD1-C 3.5Å; I391-S434 WeakPolarHBondContact CD1-O 3.36Å; I391-S434 WeakPolarHBondContact CG1-O 3.36Å
392	H	28.8	Very low	31.4	Very low	157 Å²	157	116.1 Å²	116.1	73%	0.727	65%	0.652	S	S	*	*			trans	-93.7	144.7	-138	-87.7	-84.3	0	0	0	113.6
393	S	26	Very low	30.8	Very low	98 Å²	98	118.6 Å²	118.6	69%	0.685	66%	0.658	S	S	*	*				46.4	127.6	86.7	166.3	0	0	0	0	115
394	A	29.4	Very low	30.4	Very low	86 Å²	86	119.3 Å²	119.3	71%	0.711	66%	0.661	S	S	*	*			cis	-170.6	-176.3	-4.7	0	0	0	0	0	110.3
395	Y	29	Very low	29.9	Very low	205 Å²	205	119.3 Å²	119.3	80%	0.804	66%	0.663	S	S	*	*			trans	74.4	148	168.2	-120.7	-134.9	0	0	0	116.3
396	E	25.2	Very low	29.9	Very low	130 Å²	130	119.2 Å²	119.2	61%	0.607	66%	0.658	S	S	*	*			cis	-148.1	159.4	-1.8	-163.1	168.7	-157.9	0	0	112.6
397	S	29.1	Very low	29.6	Very low	56 Å²	56	120.1 Å²	120.1	39%	0.392	65%	0.654	S	S	.	*			trans	-29.7	144.7	179	-46.8	0	0	0	0	120.1	S423 P424 G425	S397-S423 CarbonylContact C-O 3.41Å; S397-S423 WeakPolarHBondContact CB-O 3.21Å; S397-P424 CarbonylContact O-C 3.52Å; S397-G425 PolarHBondContact O-N 2.9Å
398	S	30.3	Very low	29.5	Very low	77 Å²	77	116.4 Å²	116.4	54%	0.538	65%	0.649	S	S	.	*			cis	73.5	101.6	11.2	-56.3	0	0	0	0	120.6	S423	S398-S423 CarbonylContact C-O 3.55Å; S398-S423 VanDerWaalsContact CA-O 3.29Å; S398-S423 WeakPolarHBondContact CA-O 3.35Å; S398-S423 PolarHBondContact N-O 3.25Å
399	P	42.5	Very low	29.3	Very low	76 Å²	76	119 Å²	119	49%	0.494	65%	0.647	S	S	.	*			trans	-120.9	-119.7	-172.8	41.9	-28	0	0	0	117.4	S423 P424	P399-S423 VanDerWaalsContact CB-O 3.3Å; P399-S423 WeakPolarHBondContact CB-O 3.41Å; P399-S423 WeakPolarHBondContact CD-O 3.26Å; P399-S423 VanDerWaalsContact N-O 3.14Å; P399-P424 HydrophobicContact CG-CB 4.16Å
400	S	32.1	Very low	29.3	Very low	87 Å²	87	117.7 Å²	117.7	61%	0.608	65%	0.647	S	S	*	*			trans	-160.5	176.7	-141.4	62.2	0	0	0	0	113.9
401	Q	32.1	Very low	28.8	Very low	163 Å²	163	120.4 Å²	120.4	76%	0.762	66%	0.664	S	S	*	*			cis	-152.4	127	10.2	-135	153.5	34.8	0	0	108.7
402	S	30.2	Very low	28.7	Very low	83 Å²	83	124.3 Å²	124.3	58%	0.58	69%	0.691	S	S	*	*				75.7	147.4	104.1	81.8	0	0	0	0	116.4
403	M	28.3	Very low	28.5	Very low	164 Å²	164	122.4 Å²	122.4	81%	0.808	70%	0.695	S	S	*	*			cis	-118.9	-167	17.8	-76	-74.4	170.8	0	0	110.9
404	I	27.3	Very low	29.6	Very low	156 Å²	156	122.9 Å²	122.9	80%	0.8	70%	0.695	S	S	*	*			cis	-146.7	-170.7	12.8	-13	179.2	0	0	0	111.5
405	S	26.5	Very low	29.7	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	70%	0.7	S	S	*	*			trans	-127.4	172.5	160.7	-59.6	0	0	0	0	107.3
406	E	28.3	Very low	29.9	Very low	164 Å²	164	125.9 Å²	125.9	77%	0.766	69%	0.693	S	S	*	*			cis	-121.6	-174.6	17.3	-69.2	-175.8	106.7	0	0	110.2
407	D	25.8	Very low	30.1	Very low	123 Å²	123	123.1 Å²	123.1	66%	0.658	69%	0.688	S	S	*	*			cis	-143.5	154	16	172.8	50.3	0	0	0	113.2	Y409	D407-Y409 WeakPolarHBondContact OD1-CD2 3.3Å; D407-Y409 VanDerWaalsContact OD1-CE2 3.28Å; D407-Y409 WeakPolarHBondContact OD1-CE2 3.43Å
408	S	29.8	Very low	30.2	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	71%	0.711	S	S	*	*			trans	-171.3	136.4	162.2	179	0	0	0	0	109.1
409	Y	25.1	Very low	30.1	Very low	173 Å²	173	129.6 Å²	129.6	68%	0.678	72%	0.718	S	S	*	*			trans	-119	113.6	177.7	-91.2	-85.8	0	0	0	115.1	D407	D407-Y409 WeakPolarHBondContact OD1-CD2 3.3Å; D407-Y409 VanDerWaalsContact OD1-CE2 3.28Å; D407-Y409 WeakPolarHBondContact OD1-CE2 3.43Å
410	C	26.4	Very low	29.5	Very low	112 Å²	112	131.8 Å²	131.8	76%	0.757	73%	0.73	S	S	*	*			trans	-99.5	178.7	149.9	-72.5	0	0	0	0	109.6
411	N	21.2	Very low	29.3	Very low	149 Å²	149	134.5 Å²	134.5	80%	0.797	74%	0.737	S	S	*	*			trans	-151.4	117.7	168.2	-112.6	-58.5	0	0	0	111.6
412	V	30.3	Very low	29	Very low	140 Å²	140	131.8 Å²	131.8	85%	0.848	74%	0.735	S	S	*	*			trans	-146.9	149.6	173.1	-175.4	0	0	0	0	109.3
413	S	23.1	Very low	28.7	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	72%	0.721	S	S	*	*			trans	-71.4	165.6	-175	-60.1	0	0	0	0	115.4
414	P	50	Low	29.3	Very low	108 Å²	108	127.2 Å²	127.2	70%	0.701	72%	0.716	S	S	*	*			trans	-127.5	178.2	-146.3	45.9	-34.7	0	0	0	117.5
415	R	31.2	Very low	29.3	Very low	213 Å²	213	121.5 Å²	121.5	80%	0.804	70%	0.696	S	S	*	*			trans	74.1	147.3	162.5	-66.6	-178.8	178.1	-98.7	-4.7	115.8
416	Q	32.9	Very low	29.3	Very low	141 Å²	141	121.5 Å²	121.5	66%	0.659	70%	0.696	S	S	*	*			cis	-166.1	177.4	2.5	-124.8	-176.9	-120.7	0	0	109.7
417	S	29	Very low	29.3	Very low	73 Å²	73	120.9 Å²	120.9	51%	0.51	70%	0.698	S	S	.	*			cis	-163.9	160.8	-5.3	13	0	0	0	0	110.8
418	Q	31.1	Very low	30	Very low	187 Å²	187	120.4 Å²	120.4	87%	0.874	70%	0.702	S	S	*	*			trans	69.3	143.7	151.3	-73.2	167.4	-20.8	0	0	119.4
419	A	28.6	Very low	29.9	Very low	82 Å²	82	120 Å²	120	68%	0.678	71%	0.705	S	S	*	*			cis	-164.9	160.7	-13.5	0	0	0	0	0	113.8
420	V	30.6	Very low	30.1	Very low	122 Å²	122	116.1 Å²	116.1	74%	0.739	71%	0.708	S	S	*	*			trans	60.6	113.9	156.4	-68	0	0	0	0	123.4
421	D	26.6	Very low	30.1	Very low	144 Å²	144	116.3 Å²	116.3	77%	0.77	71%	0.71	S	S	*	*				63.7	117.8	126.3	-47.3	-18.6	0	0	0	123.7
422	C	26.7	Very low	30.5	Very low	105 Å²	105	112.6 Å²	112.6	71%	0.709	69%	0.693	S	S	*	*			trans	73.5	160.8	149.2	-71.5	0	0	0	0	120.9
423	S	23.9	Very low	30.4	Very low	41 Å²	41	109.5 Å²	109.5	29%	0.287	68%	0.677	S	S	.	*			cis	-146.8	-88.6	-33.9	-103.1	0	0	0	0	115.7	S397 S398 P399	S397-S423 CarbonylContact C-O 3.41Å; S397-S423 WeakPolarHBondContact CB-O 3.21Å; S398-S423 CarbonylContact C-O 3.55Å; S398-S423 VanDerWaalsContact CA-O 3.29Å; S398-S423 WeakPolarHBondContact CA-O 3.35Å; S398-S423 PolarHBondContact N-O 3.25Å; P399-S423 VanDerWaalsContact CB-O 3.3Å; P399-S423 WeakPolarHBondContact CB-O 3.41Å; P399-S423 WeakPolarHBondContact CD-O 3.26Å; P399-S423 VanDerWaalsContact N-O 3.14Å
424	P	41.9	Very low	30.8	Very low	110 Å²	110	106.9 Å²	106.9	71%	0.714	66%	0.659	S	S	*	*			trans	-120	144.1	-144.6	34.7	-17.8	0	0	0	116.5	S397 P399	S397-P424 CarbonylContact O-C 3.52Å; P399-P424 HydrophobicContact CG-CB 4.16Å
425	G	25.9	Very low	30.4	Very low	37 Å²	37	105.6 Å²	105.6	38%	0.381	65%	0.651	S	S	.	*			cis	-179.6	160.8	-1.4	0	0	0	0	0	111.7	S397	S397-G425 PolarHBondContact O-N 2.9Å
426	S	27.2	Very low	30.1	Very low	106 Å²	106	104.4 Å²	104.4	74%	0.741	65%	0.651	S	S	*	*			trans	68	124.9	176.2	66.5	0	0	0	0	120.2
427	N	28	Very low	29.8	Very low	151 Å²	151	106 Å²	106	81%	0.807	66%	0.661	S	S	*	*			trans	19.9	154.4	139.3	-72.1	-10.8	0	0	0	122.6
428	P	40.5	Very low	30.7	Very low	114 Å²	114	106.8 Å²	106.8	74%	0.74	66%	0.664	S	S	*	*			cis	-145.6	171.8	-14.1	39.6	-19.9	0	0	0	118.2
429	A	28.8	Very low	30.7	Very low	97 Å²	97	108.1 Å²	108.1	80%	0.802	66%	0.661	S	S	*	*			trans	67.5	142.2	143.5	0	0	0	0	0	124.9
430	A	29.1	Very low	30.9	Very low	90 Å²	90	113.8 Å²	113.8	74%	0.744	67%	0.665	S	S	*	*			trans	62.3	119.2	162.5	0	0	0	0	0	118.8
431	C	25.9	Very low	31.1	Very low	117 Å²	117	112.1 Å²	112.1	79%	0.791	66%	0.659	S	S	*	*				78.3	134.2	61.7	-63.6	0	0	0	0	113.3
432	T	28.8	Very low	31.5	Very low	71 Å²	71	112.7 Å²	112.7	44%	0.436	66%	0.657	S	S	.	*				-170.6	106.5	51.1	35.9	0	0	0	0	116.2	E390 I391	E390-T432 CarbonylContact C-O 3.44Å; E390-T432 WeakPolarHBondContact CA-O 3.36Å; E390-T432 WeakPolarHBondContact CG-O 3.3Å; I391-T432 PolarHBondContact N-O 3.33Å; I391-T432 CarbonylContact O-C 3.56Å; I391-T432 PolarHBondContact O-N 3.48Å
433	S	28.2	Very low	32.1	Very low	74 Å²	74	114.6 Å²	114.6	52%	0.517	66%	0.655	S	S	.	*			trans	56.4	132.3	146.8	180	0	0	0	0	125.2	E390 I391	E390-S433 VanDerWaalsContact CB-O 3.28Å; E390-S433 WeakPolarHBondContact CB-O 3.43Å; E390-S433 WeakPolarHBondContact CG-O 3.47Å; E390-S433 WeakPolarHBondContact OE1-CB 3.45Å; E390-S433 PolarHBondContact OE1-OG 2.9Å; I391-S433 WeakPolarHBondContact CG1-O 3.33Å
434	S	32.8	Very low	32.9	Very low	62 Å²	62	120.4 Å²	120.4	43%	0.434	68%	0.675	S	S	.	*			trans	68.7	146.5	159.4	-53.7	0	0	0	0	123.1	E390 I391	E390-S434 VanDerWaalsContact OE1-CB 3.31Å; E390-S434 WeakPolarHBondContact OE1-CB 3.21Å; E390-S434 PolarHBondContact OE1-OG 3.45Å; E390-S434 VanDerWaalsContact OE1-OG 3.13Å; I391-S434 VanDerWaalsContact CD1-C 3.5Å; I391-S434 WeakPolarHBondContact CD1-O 3.36Å; I391-S434 WeakPolarHBondContact CG1-O 3.36Å
435	P	40.5	Very low	32.7	Very low	81 Å²	81	119.3 Å²	119.3	53%	0.526	67%	0.671	S	S	.	*			cis	-154	170.3	34.6	43.4	-21.7	0	0	0	120.4
436	K	24.9	Very low	33.1	Very low	188 Å²	188	129.2 Å²	129.2	82%	0.817	70%	0.696	S	S	*	*			trans	59.1	114.1	155.1	-63.8	149	-172.7	164.7	0	119
437	M	27.3	Very low	33.4	Very low	173 Å²	173	127.3 Å²	127.3	85%	0.852	69%	0.693	S	S	*	*				60.7	147.1	60.2	-68.6	-75.4	-87	0	0	115.6
438	P	46.6	Very low	33.6	Very low	91 Å²	91	129 Å²	129	59%	0.591	69%	0.693	S	S	*	*			cis	-145.5	-170	-16.8	33.5	-9.8	0	0	0	116.5
439	R	31.6	Very low	33.3	Very low	215 Å²	215	132.4 Å²	132.4	81%	0.811	69%	0.692	S	S	*	*			trans	83.2	155.9	160.8	-58.1	179.1	176.7	-162.4	-0.2	117.5
440	R	32.6	Very low	33.6	Very low	201 Å²	201	134 Å²	134	76%	0.758	69%	0.691	S	S	*	*			cis	-162.8	150	-3.5	-132.4	-173.9	-177.7	-170.2	-1.7	113.8
441	S	35.1	Very low	33.6	Very low	86 Å²	86	132.6 Å²	132.6	60%	0.601	69%	0.686	S	S	*	*			trans	51.4	172.2	149.5	53.6	0	0	0	0	120
442	E	35.7	Very low	33.5	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.734	69%	0.688	S	S	*	*			cis	-164	151	21.6	-156	140.3	-94.4	0	0	116.1
443	E	39.2	Very low	33.6	Very low	144 Å²	144	139.1 Å²	139.1	67%	0.673	70%	0.697	S	S	*	*			trans	53.2	164.4	152.8	-79.1	-163.7	141.3	0	0	124.1
444	K	39.9	Very low	33.8	Very low	163 Å²	163	145.3 Å²	145.3	71%	0.709	71%	0.709	S	S	*	*			cis	-152.5	176.9	3	-130.9	169.6	177.3	77.8	0	107.6
445	S	37.6	Very low	33.7	Very low	88 Å²	88	146.8 Å²	146.8	62%	0.615	72%	0.72	S	S	*	*			cis	-147	-133.4	4.6	43.9	0	0	0	0	108.1
446	R	35.6	Very low	33.2	Very low	245 Å²	245	147.5 Å²	147.5	93%	0.925	73%	0.727	S	S	*	*			cis	-169.1	173.7	-3.1	-126.2	166.9	-167.5	160.5	3.1	105.8
447	G	32.2	Very low	33.6	Very low	65 Å²	65	150.3 Å²	150.3	67%	0.67	73%	0.732	S	S	*	*			cis	157.8	138.8	-9.5	0	0	0	0	0	112.9
448	F	32.2	Very low	33.7	Very low	186 Å²	186	146.2 Å²	146.2	82%	0.816	73%	0.726	S	S	*	*			trans	69.2	161	174.4	-75.1	178.5	0	0	0	117.9
449	R	34.3	Very low	32.8	Very low	186 Å²	186	147.5 Å²	147.5	70%	0.702	73%	0.731	S	S	*	*			cis	-160.7	171.9	-11.7	-115.2	171.5	-169.9	-101.6	-1.4	113.8
450	T	34.7	Very low	32.6	Very low	130 Å²	130	143.9 Å²	143.9	80%	0.798	72%	0.724	S	S	*	*			trans	27.2	129.7	160.4	54.6	0	0	0	0	122.5
451	G	29.7	Very low	32.3	Very low	62 Å²	62	144.1 Å²	144.1	64%	0.639	73%	0.725	S	S	*	*			cis	167.9	151.8	-8.2	0	0	0	0	0	115.8
452	F	25.1	Very low	31.7	Very low	190 Å²	190	144.4 Å²	144.4	83%	0.833	73%	0.727	S	S	*	*			trans	61.9	146	172.9	-50.2	-68.1	0	0	0	116.9
453	H	29.6	Very low	31.1	Very low	134 Å²	134	143.8 Å²	143.8	62%	0.62	73%	0.733	S	S	*	*			cis	-172.5	167	-16	-106.7	-10.5	0	0	0	105.6
454	R	32.8	Very low	30.5	Very low	204 Å²	204	140.6 Å²	140.6	77%	0.77	73%	0.732	S	S	*	*			cis	-161.4	-178.8	-1.8	-114.1	177.9	-148.7	178.6	8.8	104.5
455	S	30.8	Very low	29.9	Very low	93 Å²	93	141.1 Å²	141.1	65%	0.65	74%	0.736	S	S	*	*			cis	-167.3	174.5	-3.9	-117	0	0	0	0	106
456	S	30	Very low	29.3	Very low	96 Å²	96	144 Å²	144	67%	0.671	74%	0.744	S	S	*	*			cis	-160.8	139.3	-5.6	-110.1	0	0	0	0	109.3
457	R	33.4	Very low	28.9	Very low	248 Å²	248	135.8 Å²	135.8	94%	0.936	73%	0.729	S	S	*	*			trans	65.8	155	161.4	-69.8	-176.9	171.3	-178.2	-3.6	117.2
458	A	29.5	Very low	28.6	Very low	87 Å²	87	140.6 Å²	140.6	72%	0.719	73%	0.734	S	S	*	*			cis	-174	167.9	-18.3	0	0	0	0	0	110.1
459	V	27.7	Very low	28.2	Very low	117 Å²	117	140.4 Å²	140.4	71%	0.709	73%	0.733	S	S	*	*			cis	-175.5	163.2	-35.6	74.4	0	0	0	0	108.9
460	Q	26.8	Very low	28.3	Very low	139 Å²	139	136.5 Å²	136.5	65%	0.65	73%	0.732	S	S	*	*			trans	73.2	155.9	167	-72	173.1	28.2	0	0	116.9
461	R	25.7	Very low	27.7	Very low	207 Å²	207	139.6 Å²	139.6	78%	0.781	73%	0.734	S	S	*	*			cis	-154.7	168.2	6.7	-134.7	163.8	-176.4	157.8	-4	113.9
462	S	23.5	Very low	27.4	Very low	92 Å²	92	148 Å²	148	64%	0.643	75%	0.747	S	S	*	*			trans	2.9	139.2	156.2	50.4	0	0	0	0	121.3
463	V	23.9	Very low	27.2	Very low	144 Å²	144	143.3 Å²	143.3	87%	0.873	74%	0.743	S	S	*	*			cis	81.8	131.4	43.9	174.9	0	0	0	0	115.3
464	A	26.2	Very low	27	Very low	77 Å²	77	141.9 Å²	141.9	64%	0.636	75%	0.748	S	S	*	*			trans	110.5	127.7	156.8	0	0	0	0	0	119.5
465	H	27.4	Very low	26.8	Very low	173 Å²	173	136.6 Å²	136.6	80%	0.801	74%	0.742	S	S	*	*			trans	47.1	161.3	130.4	-70.5	-93.7	0	0	0	121.6
466	D	25.3	Very low	26.9	Very low	148 Å²	148	137.8 Å²	137.8	79%	0.791	75%	0.746	S	S	*	*			cis	-148.6	-163.6	7.8	-142	-16.2	0	0	0	114.3
467	A	25.3	Very low	27	Very low	73 Å²	73	139.2 Å²	139.2	60%	0.603	75%	0.75	S	S	*	*			trans	-104.8	161.4	-165.5	0	0	0	0	0	118
468	Q	26.3	Very low	26.7	Very low	166 Å²	166	130 Å²	130	78%	0.776	73%	0.733	S	S	*	*			trans	70.6	157.7	147.8	-75	-176.7	29	0	0	122.6
469	K	24.4	Very low	26.7	Very low	183 Å²	183	133.3 Å²	133.3	80%	0.796	74%	0.738	S	S	*	*			trans	83	157.7	152.6	-90.8	172.8	-177.4	169.4	0	117.5
470	P	35.7	Very low	26.6	Very low	104 Å²	104	133.4 Å²	133.4	68%	0.675	74%	0.739	S	S	*	*				-141.8	-175.1	-116.2	44.3	-25.7	0	0	0	117.2
471	K	23.1	Very low	26.6	Very low	195 Å²	195	130.8 Å²	130.8	85%	0.848	74%	0.736	S	S	*	*			trans	75.8	152.5	162.1	-66.9	179.5	175.7	179.2	0	117.9
472	R	22.2	Very low	26.7	Very low	239 Å²	239	127.8 Å²	127.8	90%	0.902	74%	0.735	S	S	*	*			trans	70	126.3	163	-85.4	-178.3	168.5	170.3	-4.5	117.8
473	A	21.7	Very low	26.9	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	73%	0.734	S	S	*	*				45.1	146.8	112	0	0	0	0	0	119.1
474	S	24.5	Very low	27.2	Very low	103 Å²	103	127.5 Å²	127.5	72%	0.72	73%	0.726	S	S	*	*			cis	-161	169.8	17.1	-144.8	0	0	0	0	113.5
475	S	28.8	Very low	27.2	Very low	93 Å²	93	133.2 Å²	133.2	65%	0.65	74%	0.737	S	S	*	*				9.8	161.8	128.1	80.5	0	0	0	0	120.1
476	T	34.2	Very low	27.6	Very low	119 Å²	119	132 Å²	132	73%	0.73	74%	0.735	S	S	*	*			cis	-164.3	-177.5	4.2	1	0	0	0	0	107.1
477	T	31.3	Very low	28.4	Very low	125 Å²	125	130.7 Å²	130.7	77%	0.767	74%	0.735	S	S	*	*			cis	-155.7	169.7	8	-2	0	0	0	0	106.8
478	G	28.1	Very low	29.3	Very low	56 Å²	56	136.7 Å²	136.7	58%	0.577	75%	0.747	S	S	*	*			cis	160.7	164.9	-7.9	0	0	0	0	0	112.8
479	L	28.1	Very low	29.4	Very low	156 Å²	156	133.9 Å²	133.9	82%	0.817	75%	0.752	S	S	*	*			trans	65.2	138.3	171.3	-61.8	98.5	0	0	0	116.5
480	T	26.6	Very low	29.6	Very low	119 Å²	119	133.1 Å²	133.1	73%	0.73	75%	0.753	S	S	*	*			cis	-166.7	160.4	-8.9	19.3	0	0	0	0	107.4
481	S	26.3	Very low	29.2	Very low	84 Å²	84	135.5 Å²	135.5	59%	0.587	76%	0.755	S	S	*	*			cis	-172	156.9	-8.3	49.4	0	0	0	0	110.8
482	N	28.9	Very low	29.2	Very low	143 Å²	143	134.2 Å²	134.2	77%	0.765	76%	0.757	S	S	*	*			trans	68.1	136.1	150.7	-61.5	-5	0	0	0	119.4
483	T	26.8	Very low	29.6	Very low	101 Å²	101	127.4 Å²	127.4	62%	0.62	75%	0.751	S	S	*	*			cis	-161.2	137.3	-4	12.2	0	0	0	0	112.1
484	N	29.2	Very low	29.7	Very low	130 Å²	130	128 Å²	128	70%	0.695	75%	0.751	S	S	*	*			trans	62.1	145.9	144.7	-50.8	-14.2	0	0	0	121.1
485	F	27.5	Very low	29.7	Very low	197 Å²	197	130 Å²	130	86%	0.864	75%	0.752	S	S	*	*			cis	-160.8	178.2	-30.7	-115.5	-60.6	0	0	0	110.1
486	L	35.9	Very low	29.6	Very low	147 Å²	147	131.8 Å²	131.8	77%	0.77	76%	0.755	S	S	*	*			trans	-127.1	171.9	-172	-110.4	170.8	0	0	0	110.2
487	P	42.5	Very low	29.3	Very low	121 Å²	121	133.5 Å²	133.5	79%	0.786	76%	0.758	S	S	*	*				-158.8	-156.5	71.5	43.7	-19.5	0	0	0	117.2
488	K	42.8	Very low	29.2	Very low	199 Å²	199	134 Å²	134	87%	0.865	76%	0.761	S	S	*	*			trans	-133.7	174.3	179	-77.1	179.3	175.1	174.7	0	111.3
489	A	28.3	Very low	30	Very low	107 Å²	107	136.6 Å²	136.6	88%	0.884	77%	0.768	S	S	*	*			trans	105.7	174.1	162.6	0	0	0	0	0	117
490	M	29.8	Very low	30	Very low	166 Å²	166	138.6 Å²	138.6	82%	0.818	77%	0.772	S	S	*	*			trans	-99.9	163.3	-162.1	-60.2	-167.8	-65.3	0	0	114.7
491	H	26.1	Very low	30.3	Very low	155 Å²	155	137.9 Å²	137.9	72%	0.718	77%	0.772	S	S	*	*			trans	79.5	136.3	151.4	-88.2	-73.7	0	0	0	121.3
492	L	23.8	Very low	30.6	Very low	168 Å²	168	140.8 Å²	140.8	88%	0.88	79%	0.786	S	S	*	*			trans	71.4	166.7	148.9	-67.5	165.2	0	0	0	118.2
493	A	29.4	Very low	30.6	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	79%	0.786	S	S	*	*			trans	-120.5	146.4	-170.4	0	0	0	0	0	112
494	S	24.2	Very low	30.7	Very low	105 Å²	105	138.1 Å²	138.1	73%	0.734	79%	0.794	S	S	*	*			trans	-145.5	130.8	166.8	36.2	0	0	0	0	107
495	L	25.9	Very low	30.9	Very low	144 Å²	144	137.4 Å²	137.4	75%	0.754	80%	0.799	S	S	*	*				61.4	124.6	67.5	-55.6	172.3	0	0	0	110.9
496	N	26.3	Very low	31	Very low	131 Å²	131	134.3 Å²	134.3	70%	0.701	80%	0.796	S	S	*	*			cis	-164.6	-173.7	5.7	-103	-23.5	0	0	0	111.2
497	L	28.2	Very low	30.8	Very low	155 Å²	155	132 Å²	132	81%	0.812	80%	0.798	S	S	*	*			trans	91.1	91.9	156.3	-51.5	-179	0	0	0	120.9
498	V	29.1	Very low	30.1	Very low	136 Å²	136	130.8 Å²	130.8	82%	0.824	80%	0.799	S	S	*	*				52.7	140.5	110.1	178.6	0	0	0	0	120.6
499	P	43.4	Very low	29.4	Very low	110 Å²	110	132.5 Å²	132.5	71%	0.714	80%	0.8	S	S	*	*			trans	-112.2	-179.3	-159.5	43.9	-34.9	0	0	0	116.3
500	H	29.8	Very low	29.9	Very low	197 Å²	197	132.2 Å²	132.2	91%	0.912	79%	0.789	S	S	*	*			trans	-133.9	170.5	159.7	-97.1	-80.9	0	0	0	112.7
501	S	32	Very low	29.8	Very low	105 Å²	105	129.3 Å²	129.3	73%	0.734	79%	0.785	S	S	*	*			trans	-135.8	-153	-150.4	58.8	0	0	0	0	114.1
502	V	32.2	Very low	29.9	Very low	144 Å²	144	126.9 Å²	126.9	87%	0.873	79%	0.785	S	S	*	*			trans	86.6	125.6	-179.3	-174	0	0	0	0	113.3
503	A	28.6	Very low	30.3	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	78%	0.779	S	S	*	*			cis	-141.4	-179.8	-3	0	0	0	0	0	109.5
504	A	29	Very low	30.4	Very low	96 Å²	96	128.8 Å²	128.8	79%	0.793	77%	0.773	S	S	*	*			cis	-150.2	176.7	11.5	0	0	0	0	0	113.1
505	S	33.2	Very low	30.7	Very low	114 Å²	114	131 Å²	131	80%	0.797	77%	0.772	S	S	*	*			trans	-70.1	176.8	-177.2	-47.6	0	0	0	0	113.8
506	V	31.2	Very low	30.7	Very low	132 Å²	132	128.7 Å²	128.7	80%	0.8	77%	0.768	S	S	*	*			cis	-161.5	136.6	49.2	170.1	0	0	0	0	112.5
507	A	31	Very low	31	Very low	98 Å²	98	131.1 Å²	131.1	81%	0.81	78%	0.775	S	S	*	*			trans	43.7	156.4	152.1	0	0	0	0	0	121.8
508	A	28.1	Very low	31	Very low	96 Å²	96	130.8 Å²	130.8	79%	0.793	77%	0.774	S	S	*	*			cis	-145.8	174.9	1.8	0	0	0	0	0	111.9
509	R	28.6	Very low	30.9	Very low	236 Å²	236	132.2 Å²	132.2	89%	0.891	78%	0.775	S	S	*	*			trans	-117.5	-177.8	168.1	-55	175.1	71.2	-173.2	2.7	107.7
510	P	39	Very low	30.1	Very low	101 Å²	101	134.1 Å²	134.1	66%	0.656	78%	0.779	S	S	*	*			cis	-138.5	-179.9	-0.1	42.4	-23.7	0	0	0	116.4
511	S	27	Very low	31.2	Very low	104 Å²	104	130.3 Å²	130.3	73%	0.727	77%	0.771	S	S	*	*			trans	28.8	139.4	143.8	66.6	0	0	0	0	121
512	S	28.2	Very low	31.1	Very low	105 Å²	105	131 Å²	131	73%	0.734	78%	0.776	S	S	*	*				179.9	175.8	56.2	58.3	0	0	0	0	113.5
513	H	32.3	Very low	31	Very low	160 Å²	160	128.6 Å²	128.6	74%	0.741	77%	0.766	S	S	*	*			trans	38.3	128.9	145.6	-96.9	-117.3	0	0	0	124.2
514	Q	31.1	Very low	31	Very low	142 Å²	142	130.2 Å²	130.2	66%	0.664	77%	0.766	S	S	*	*				82.5	106.5	119.1	-163.4	162.8	7.2	0	0	122.6
515	Q	30.3	Very low	30.9	Very low	152 Å²	152	131.3 Å²	131.3	71%	0.71	77%	0.767	S	S	*	*				54.1	96	122.7	-160.1	-175.8	-4.1	0	0	121.3
516	S	27.3	Very low	30.6	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	76%	0.76	S	S	*	*			trans	78.6	153.3	130.9	80.6	0	0	0	0	123.1
517	Q	31.5	Very low	30.6	Very low	182 Å²	182	129.7 Å²	129.7	85%	0.85	76%	0.756	S	S	*	*			trans	87.5	148.2	161.1	-57.4	-158.5	12.2	0	0	120.1
518	N	29.1	Very low	30.4	Very low	147 Å²	147	131.5 Å²	131.5	79%	0.786	76%	0.757	S	S	*	*			trans	-82.2	169	-170.7	-46.6	-46.8	0	0	0	112.1
519	I	25.2	Very low	30.9	Very low	166 Å²	166	132.7 Å²	132.7	85%	0.851	76%	0.756	S	S	*	*				-171.4	157.2	118.6	-98.2	156.4	0	0	0	112
520	L	28.3	Very low	31.1	Very low	150 Å²	150	129.5 Å²	129.5	79%	0.785	76%	0.756	S	S	*	*			trans	-91.7	-156.6	179.2	-96.6	85.4	0	0	0	110.5
521	P	52.7	Low	30.7	Very low	117 Å²	117	131.6 Å²	131.6	76%	0.76	77%	0.767	S	S	*	*			cis	-136.7	-172.3	-7.7	21.3	5.6	0	0	0	116.5
522	S	29.6	Very low	30.8	Very low	119 Å²	119	135.1 Å²	135.1	83%	0.832	77%	0.771	S	S	*	*			trans	114.4	135	139.3	-134.8	0	0	0	0	115.7
523	S	30.6	Very low	30.9	Very low	95 Å²	95	138.8 Å²	138.8	66%	0.664	78%	0.777	S	S	*	*			cis	-159.2	170.2	19.2	59.7	0	0	0	0	114.2
524	V	28	Very low	30.9	Very low	126 Å²	126	137.7 Å²	137.7	76%	0.764	78%	0.781	S	S	*	*			trans	63.7	115.6	165.1	-165.9	0	0	0	0	116.8
525	C	27.3	Very low	30.8	Very low	120 Å²	120	140 Å²	140	81%	0.811	79%	0.789	S	S	*	*			cis	89.9	141	40.2	-59.4	0	0	0	0	114.2
526	S	27.1	Very low	30.7	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	79%	0.791	S	S	*	*			cis	-156.1	152.7	14	-162.5	0	0	0	0	115.5
527	T	30.7	Very low	30.6	Very low	118 Å²	118	138.3 Å²	138.3	72%	0.724	80%	0.795	S	S	*	*			trans	34.8	116.9	148.7	50.1	0	0	0	0	120.7
528	V	26.8	Very low	30.6	Very low	136 Å²	136	135.8 Å²	135.8	82%	0.824	79%	0.791	S	S	*	*			cis	83.8	110.9	18.3	-166.2	0	0	0	0	117
529	P	39.3	Very low	31.5	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	78%	0.784	S	S	*	*			trans	-125.4	-167	178.9	43.7	-31.3	0	0	0	116.3
530	L	32.9	Very low	31.8	Very low	169 Å²	169	135 Å²	135	89%	0.885	79%	0.785	S	S	*	*			trans	-139.7	159.2	-178.1	-119.1	76.7	0	0	0	112.8
531	V	28.6	Very low	32.6	Very low	145 Å²	145	133.3 Å²	133.3	88%	0.879	78%	0.783	S	S	*	*			trans	160.3	159.9	141.6	155.9	0	0	0	0	113.3
532	H	31	Very low	31.7	Very low	179 Å²	179	139.4 Å²	139.4	83%	0.829	79%	0.791	S	S	*	*			trans	-83.2	171.6	-179.5	-85.7	64.9	0	0	0	115.4
533	Q	29.9	Very low	31.9	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	79%	0.793	S	S	*	*			trans	102.1	99.8	151.2	-52.6	-162.3	8.4	0	0	121.6
534	V	31.8	Very low	32.4	Very low	138 Å²	138	140.8 Å²	140.8	84%	0.836	80%	0.801	S	S	*	*				23.9	115.7	126.4	-168.3	0	0	0	0	121.2
535	K	28.5	Very low	32.9	Very low	190 Å²	190	138.7 Å²	138.7	83%	0.826	80%	0.797	S	S	*	*				-174.8	144.8	118.9	-111.8	177.2	179.5	172.2	0	116.3
536	T	29.4	Very low	33.5	Very low	124 Å²	124	137.4 Å²	137.4	76%	0.761	79%	0.787	S	S	*	*			trans	1.1	149.4	148.4	54.9	0	0	0	0	120.9
537	A	23.7	Very low	34.7	Very low	89 Å²	89	140.6 Å²	140.6	74%	0.736	80%	0.797	S	S	*	*			cis	-157.5	156.9	25.4	0	0	0	0	0	117.2
538	T	32.2	Very low	36.4	Very low	128 Å²	128	138.1 Å²	138.1	79%	0.785	78%	0.781	S	S	*	*			trans	-24.2	173.5	153.6	46.4	0	0	0	0	122.6
539	P	47.2	Very low	38.3	Very low	97 Å²	97	134.1 Å²	134.1	63%	0.63	76%	0.763	S	S	*	*			cis	-148.1	177.9	-26.4	39.5	-20.1	0	0	0	118.4
540	F	32.1	Very low	39.7	Very low	200 Å²	200	128.8 Å²	128.8	88%	0.877	73%	0.729	S	S	*	*			trans	65.6	157.7	154.3	-77.9	-66.2	0	0	0	121
541	P	45	Very low	41.4	Very low	114 Å²	114	121.8 Å²	121.8	74%	0.74	70%	0.697	S	S	*	*			cis	-123.1	147.2	-17.8	36.4	-21.5	0	0	0	115.2
542	R	34.9	Very low	43.4	Very low	246 Å²	246	118.6 Å²	118.6	93%	0.928	68%	0.678	S	S	*	*			trans	-126.6	129.7	151.9	-78.5	-172.7	176.4	-178.4	0	108.3	S544	R542-S544 PolarHBondContact O-N 2.82Å
543	S	33	Very low	45.2	Very low	124 Å²	124	111.6 Å²	111.6	87%	0.867	65%	0.646	S	S	*	*			trans	-70.8	119.6	179.5	53	0	0	0	0	111.4	A545	S543-A545 PolarHBondContact O-N 2.74Å
544	S	41.4	Very low	47.2	Very low	119 Å²	119	104.9 Å²	104.9	83%	0.832	62%	0.616	S	S	*	*			trans	-76.5	115	173.8	39.3	0	0	0	0	111.2	R542	R542-S544 PolarHBondContact O-N 2.82Å
545	A	37.6	Very low	49.1	Very low	82 Å²	82	106.4 Å²	106.4	68%	0.678	61%	0.607	S	S	*	*			trans	-89.9	122.6	166.9	0	0	0	0	0	109.3	S543	S543-A545 PolarHBondContact O-N 2.74Å
546	P	39.7	Very low	50.9	Low	93 Å²	93	103.3 Å²	103.3	60%	0.604	60%	0.599	S	S	*	*			trans	-75.2	153.7	-173.2	30.1	-35.9	0	0	0	113.1	T548	P546-T548 HydrophobicContact CB-CG2 4.07Å; P546-T548 HydrophobicContact CG-CG2 3.83Å; P546-T548 PolarHBondContact O-N 3.23Å; P546-T548 PolarHBondContact O-OG1 2.83Å; P546-T548 VanDerWaalsContact O-OG1 3.12Å
547	N	52.5	Low	52.7	Low	161 Å²	161	98.5 Å²	98.5	86%	0.861	57%	0.568	S	S	*	*	S	Bend	trans	-67.1	78.8	173.9	-77	-13.1	0	0	0	111.2
548	T	67.6	Low	54.5	Low	66 Å²	66	98.7 Å²	98.7	41%	0.405	56%	0.561	S	S	.	*			trans	-119.1	157.2	-177.1	52	0	0	0	0	110.5	P546 A550 G551 T552	P546-T548 HydrophobicContact CB-CG2 4.07Å; P546-T548 HydrophobicContact CG-CG2 3.83Å; P546-T548 PolarHBondContact O-N 3.23Å; P546-T548 PolarHBondContact O-OG1 2.83Å; P546-T548 VanDerWaalsContact O-OG1 3.12Å; T548-A550 PolarHBondContact O-N 2.93Å; T548-G551 WeakPolarHBondContact O-CA 3.33Å; T548-G551 PolarHBondContact O-N 3.06Å; T548-G551 PolarHBondContact OG1-N 3.43Å; T548-T552 PolarHBondContact O-N 3.19Å
549	A	65.3	Low	55.6	Low	52 Å²	52	95.8 Å²	95.8	43%	0.43	55%	0.546	S	S	.	.	H	α-helix	trans	-61.3	-29.8	179.7	0	0	0	0	0	113.1	T552 L553 L649	A549-T552 PolarHBondContact O-OG1 3.42Å; A549-T552 VanDerWaalsContact O-OG1 3.1Å; A549-L553 WeakPolarHBondContact O-CB 3.32Å; A549-L553 PolarHBondContact O-N 3.44Å; A549-L553 VanDerWaalsContact O-N 3.1Å; A549-L649 HydrophobicContact CB-CD2 3.96Å; A549-L649 HydrophobicContact CB-CG 4.47Å; A549-L649 WeakPolarHBondContact O-CD2 3.4Å
550	A	70.1	Confident	55.8	Low	8 Å²	8	95.9 Å²	95.9	7%	0.066	56%	0.555	C	S	.	*	H	α-helix	trans	-66.3	-44.2	169.7	0	0	0	0	0	111.6	T548 T552 L553 N554 C646 L649	T548-A550 PolarHBondContact O-N 2.93Å; A550-T552 PolarHBondContact O-N 3.45Å; A550-L553 PolarHBondContact O-N 3.38Å; A550-N554 WeakPolarHBondContact O-CB 3.46Å; A550-N554 PolarHBondContact O-N 3.06Å; A550-N554 PolarHBondContact O-ND2 3.39Å; A550-N554 PolarHBondContact O-OD1 3.14Å; A550-C646 HydrophobicContact CB-CB 4.42Å; A550-L649 HydrophobicContact CB-CB 4.18Å
551	G	67.9	Low	56.4	Low	22 Å²	22	93.3 Å²	93.3	23%	0.227	55%	0.55	C	S	.	.	H	α-helix	trans	-62.5	-36.6	176.6	0	0	0	0	0	114.1	T548 R555	T548-G551 WeakPolarHBondContact O-CA 3.33Å; T548-G551 PolarHBondContact O-N 3.06Å; T548-G551 PolarHBondContact OG1-N 3.43Å; G551-R555 WeakPolarHBondContact O-CG 3.24Å; G551-R555 PolarHBondContact O-N 2.94Å; G551-R555 VanDerWaalsContact O-N 3.15Å
552	T	70.8	Confident	56.4	Low	77 Å²	77	91.5 Å²	91.5	47%	0.472	54%	0.538	S	S	.	.	H	α-helix	trans	-73.9	-39.2	174.8	56	0	0	0	0	112.2	T548 A549 A550 N554 R555 L556	T548-T552 PolarHBondContact O-N 3.19Å; A549-T552 PolarHBondContact O-OG1 3.42Å; A549-T552 VanDerWaalsContact O-OG1 3.1Å; A550-T552 PolarHBondContact O-N 3.45Å; T552-N554 VanDerWaalsContact C-N 3.33Å; T552-N554 PolarHBondContact O-N 3.01Å; T552-R555 PolarHBondContact O-N 3.46Å; T552-L556 WeakPolarHBondContact O-CG 3.42Å; T552-L556 PolarHBondContact O-N 3.07Å
553	L	69.8	Low	57.2	Low	32 Å²	32	82.3 Å²	82.3	17%	0.168	51%	0.509	C	S	.	.	H	α-helix	trans	-58.1	-44.7	171	-180	61.1	0	0	0	111.4	A549 A550 R555 L556 L557 C646 L649	A549-L553 WeakPolarHBondContact O-CB 3.32Å; A549-L553 PolarHBondContact O-N 3.44Å; A549-L553 VanDerWaalsContact O-N 3.1Å; A550-L553 PolarHBondContact O-N 3.38Å; L553-R555 PolarHBondContact O-N 3.45Å; L553-L556 PolarHBondContact O-N 2.84Å; L553-L557 HydrophobicContact CD1-CD1 4.1Å; L553-L557 HydrophobicContact CD1-CG 4.33Å; L553-L557 HydrophobicContact CG-CD1 3.99Å; L553-L557 WeakPolarHBondContact O-CG 3.23Å; L553-L557 PolarHBondContact O-N 3.31Å; L553-C646 HydrophobicContact CD2-CB 4.05Å; L553-L649 HydrophobicContact CB-CD2 4.27Å; L553-L649 HydrophobicContact CD2-CD2 4.04Å
554	N	70.6	Confident	58	Low	40 Å²	40	80.8 Å²	80.8	21%	0.214	50%	0.496	C	S	.	.	H	α-helix	trans	-63.1	-40.1	178.7	-68.7	-17.8	0	0	0	112.9	A550 T552 L557 T558 C646	A550-N554 WeakPolarHBondContact O-CB 3.46Å; A550-N554 PolarHBondContact O-N 3.06Å; A550-N554 PolarHBondContact O-ND2 3.39Å; A550-N554 PolarHBondContact O-OD1 3.14Å; T552-N554 VanDerWaalsContact C-N 3.33Å; T552-N554 PolarHBondContact O-N 3.01Å; N554-L557 PolarHBondContact O-N 2.77Å; N554-T558 PolarHBondContact O-N 3.37Å; N554-T558 PolarHBondContact O-OG1 3.01Å; N554-C646 PolarHBondContact ND2-O 3.24Å; N554-C646 VanDerWaalsContact OD1-CB 3.32Å; N554-C646 WeakPolarHBondContact OD1-CB 3.33Å; N554-C646 PolarHBondContact OD1-N 3.36Å
555	R	71.1	Confident	58.8	Low	170 Å²	170	78.5 Å²	78.5	64%	0.642	48%	0.478	S	S	*	.	H	α-helix	trans	-63.1	-41.2	173.4	-73	175.2	-172.1	-103.7	7.6	111.9	G551 T552 L553 L557 T558 S559	G551-R555 WeakPolarHBondContact O-CG 3.24Å; G551-R555 PolarHBondContact O-N 2.94Å; G551-R555 VanDerWaalsContact O-N 3.15Å; T552-R555 PolarHBondContact O-N 3.46Å; L553-R555 PolarHBondContact O-N 3.45Å; R555-L557 VanDerWaalsContact C-N 3.31Å; R555-L557 PolarHBondContact O-N 3.01Å; R555-T558 WeakPolarHBondContact CA-OG1 3.47Å; R555-T558 PolarHBondContact O-N 3.38Å; R555-T558 PolarHBondContact O-OG1 3.15Å; R555-S559 PolarHBondContact O-N 3.2Å; R555-S559 PolarHBondContact O-OG 3.34Å
556	L	67.3	Low	59.5	Low	125 Å²	125	81.3 Å²	81.3	65%	0.654	47%	0.472	S	S	*	.	H	α-helix	trans	-68.1	-28.5	177	-70.3	169.1	0	0	0	113.3	T552 L553 S559	T552-L556 WeakPolarHBondContact O-CG 3.42Å; T552-L556 PolarHBondContact O-N 3.07Å; L553-L556 PolarHBondContact O-N 2.84Å; L556-S559 PolarHBondContact O-OG 3.37Å
557	L	66.4	Low	60.2	Low	23 Å²	23	81.7 Å²	81.7	12%	0.12	47%	0.472	C	S	.	.	H	α-helix	trans	-82.5	-20.4	175.8	-67.9	170.4	0	0	0	113.2	L553 N554 R555 A634 V643 M644	L553-L557 HydrophobicContact CD1-CD1 4.1Å; L553-L557 HydrophobicContact CD1-CG 4.33Å; L553-L557 HydrophobicContact CG-CD1 3.99Å; L553-L557 WeakPolarHBondContact O-CG 3.23Å; L553-L557 PolarHBondContact O-N 3.31Å; N554-L557 PolarHBondContact O-N 2.77Å; R555-L557 VanDerWaalsContact C-N 3.31Å; R555-L557 PolarHBondContact O-N 3.01Å; L557-A634 HydrophobicContact CD2-CB 4.09Å; L557-V643 HydrophobicContact CB-CG1 3.96Å; L557-V643 VanDerWaalsContact O-CG1 3.24Å; L557-V643 WeakPolarHBondContact O-CG1 3.5Å; L557-M644 HydrophobicContact CD1-CB 4.35Å; L557-M644 WeakPolarHBondContact CD1-O 3.47Å
558	T	62.1	Low	60.4	Low	93 Å²	93	75.2 Å²	75.2	57%	0.571	44%	0.439	S	S	*	.	H	α-helix	trans	-101	-19.4	178.5	46	0	0	0	0	114.7	N554 R555 V643	N554-T558 PolarHBondContact O-N 3.37Å; N554-T558 PolarHBondContact O-OG1 3.01Å; R555-T558 WeakPolarHBondContact CA-OG1 3.47Å; R555-T558 PolarHBondContact O-N 3.38Å; R555-T558 PolarHBondContact O-OG1 3.15Å; T558-V643 HydrophobicContact CG2-CG1 3.91Å
559	S	56.2	Low	59.7	Low	68 Å²	68	79.1 Å²	79.1	48%	0.476	46%	0.457	S	S	.	.	S	Bend	trans	-59.3	140.5	169	51.4	0	0	0	0	111.4	R555 L556	R555-S559 PolarHBondContact O-N 3.2Å; R555-S559 PolarHBondContact O-OG 3.34Å; L556-S559 PolarHBondContact O-OG 3.37Å
560	A	51	Low	59.1	Low	99 Å²	99	78.5 Å²	78.5	82%	0.818	45%	0.446	S	S	*	.	S	Bend	trans	-64.3	149.1	-161.6	0	0	0	0	0	115.1
561	N	44.5	Very low	58	Low	145 Å²	145	82.2 Å²	82.2	78%	0.775	47%	0.472	S	S	*	.	S	Bend	trans	71.7	159.5	179.4	-88.7	-30.4	0	0	0	116.5
562	P	44.5	Very low	57.2	Low	76 Å²	76	84 Å²	84	49%	0.494	48%	0.48	S	S	.	.			trans	-82.7	162	-149.5	31.7	-36.6	0	0	0	113.8	P564	P562-P564 WeakPolarHBondContact O-CD 3.48Å; P562-P564 WeakPolarHBondContact O-CG 3.49Å
563	V	52.6	Low	56.1	Low	53 Å²	53	84.6 Å²	84.6	32%	0.321	48%	0.484	S	S	.	.			trans	-70.3	102.1	155.8	178.8	0	0	0	0	106.3	R635	V563-R635 HydrophobicContact CB-CG 4.28Å; V563-R635 HydrophobicContact CG1-CG 4.31Å
564	P	49	Very low	55.2	Low	92 Å²	92	89.6 Å²	89.6	60%	0.597	52%	0.519	S	S	*	.			trans	-76.8	152.6	-175.3	-6.5	26.9	0	0	0	108.7	P562 Y566	P562-P564 WeakPolarHBondContact O-CD 3.48Å; P562-P564 WeakPolarHBondContact O-CG 3.49Å; P564-Y566 PolarHBondContact O-N 2.84Å
565	V	57.3	Low	53.9	Low	72 Å²	72	96.2 Å²	96.2	44%	0.436	55%	0.548	S	S	.	.			trans	-69.3	122.2	157	177.4	0	0	0	0	106.5	V567 G591 D592	V565-V567 HydrophobicContact CG1-CG2 4.03Å; V565-V567 PolarHBondContact O-N 2.82Å; V565-V567 VanDerWaalsContact O-N 3.14Å; V565-G591 VanDerWaalsContact CG1-O 3.23Å; V565-G591 WeakPolarHBondContact CG1-O 3.36Å; V565-D592 WeakPolarHBondContact CA-OD1 3.43Å
566	Y	52.4	Low	52.7	Low	141 Å²	141	90.9 Å²	90.9	55%	0.553	54%	0.537	S	S	*	.			trans	-69.9	112.6	177.5	-178.2	-105.1	0	0	0	109.2	P564 P568 D592 S593	P564-Y566 PolarHBondContact O-N 2.84Å; Y566-P568 HydrophobicContact CD1-CG 4.43Å; Y566-P568 HydrophobicContact CE1-CB 3.95Å; Y566-P568 HydrophobicContact CE1-CG 3.87Å; Y566-D592 PolarHBondContact N-OD1 3.02Å; Y566-S593 WeakPolarHBondContact CD1-O 3.18Å; Y566-S593 PolarHBondContact O-N 2.85Å; Y566-S593 VanDerWaalsContact O-O 3.1Å
567	V	56.2	Low	51.8	Low	100 Å²	100	93 Å²	93	61%	0.606	55%	0.549	S	S	*	.			trans	-122.1	97.9	174.7	-175.5	0	0	0	0	107.9	V565	V565-V567 HydrophobicContact CG1-CG2 4.03Å; V565-V567 PolarHBondContact O-N 2.82Å; V565-V567 VanDerWaalsContact O-N 3.14Å
568	P	56.2	Low	51.2	Low	26 Å²	26	96.8 Å²	96.8	17%	0.169	57%	0.568	C	S	.	*			trans	-68.1	147.5	173.8	28.4	-31.9	0	0	0	109.5	Y566 L570 S593	Y566-P568 HydrophobicContact CD1-CG 4.43Å; Y566-P568 HydrophobicContact CE1-CB 3.95Å; Y566-P568 HydrophobicContact CE1-CG 3.87Å; P568-L570 HydrophobicContact CG-CD2 4.14Å; P568-L570 WeakPolarHBondContact O-CG 3.44Å; P568-L570 PolarHBondContact O-N 3.33Å; P568-S593 WeakPolarHBondContact CD-O 3.31Å
569	N	51.4	Low	50.4	Low	147 Å²	147	102.2 Å²	102.2	79%	0.786	58%	0.584	S	S	*	*			trans	-68.1	129.2	175.9	-168.2	-2.3	0	0	0	110.1	S571	N569-S571 PolarHBondContact OD1-OG 3.33Å
570	L	53.7	Low	50.2	Low	40 Å²	40	101.9 Å²	101.9	21%	0.209	58%	0.576	C	S	.	*			trans	-107.2	17	-168.7	-58.8	-177.5	0	0	0	114	P568 P572	P568-L570 HydrophobicContact CG-CD2 4.14Å; P568-L570 WeakPolarHBondContact O-CG 3.44Å; P568-L570 PolarHBondContact O-N 3.33Å; L570-P572 WeakPolarHBondContact O-CD 3.29Å
571	S	47.5	Very low	50.2	Low	85 Å²	85	99.5 Å²	99.5	59%	0.594	55%	0.552	S	S	*	*			trans	-83	102.1	173.4	57.6	0	0	0	0	111.4	N569	N569-S571 PolarHBondContact OD1-OG 3.33Å
572	P	50.5	Low	50.6	Low	61 Å²	61	98.9 Å²	98.9	40%	0.396	56%	0.557	S	S	.	*			trans	-69.4	152.3	170.1	31.5	-36.5	0	0	0	110.8	L570 C576	L570-P572 WeakPolarHBondContact O-CD 3.29Å; P572-C576 HydrophobicContact CB-CB 4.18Å
573	P	47.8	Very low	50.9	Low	88 Å²	88	105.3 Å²	105.3	57%	0.571	57%	0.571	S	S	*	*			trans	-58.3	147.8	166.3	-22.3	34	0	0	0	111.1	E575 C576	P573-E575 PolarHBondContact O-N 2.95Å; P573-C576 WeakPolarHBondContact O-CB 3.18Å; P573-C576 PolarHBondContact O-N 3.42Å
574	P	49.9	Very low	51.3	Low	137 Å²	137	103.3 Å²	103.3	89%	0.89	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-15.5	-167.7	23.3	-34.4	0	0	0	115.6
575	E	45.1	Very low	52.1	Low	179 Å²	179	102.4 Å²	102.4	84%	0.836	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-11.1	177.3	-59.7	-174.2	-175.6	0	0	113.4	P573 N577	P573-E575 PolarHBondContact O-N 2.95Å; E575-N577 PolarHBondContact O-N 3.37Å
576	C	44.9	Very low	52.5	Low	59 Å²	59	101.7 Å²	101.7	40%	0.399	54%	0.543	S	S	.	.			trans	-85.6	102.1	-179.1	-74.4	0	0	0	0	111.6	P572 P573 I578	P572-C576 HydrophobicContact CB-CB 4.18Å; P573-C576 WeakPolarHBondContact O-CB 3.18Å; P573-C576 PolarHBondContact O-N 3.42Å; C576-I578 HydrophobicContact CB-CD1 4.2Å; C576-I578 HydrophobicContact CB-CG1 4.24Å; C576-I578 PolarHBondContact O-N 3.06Å
577	N	48.4	Very low	53.2	Low	170 Å²	170	95 Å²	95	91%	0.909	52%	0.517	S	S	*	.			trans	-70.6	57.1	173.4	-85.9	-79.2	0	0	0	113.3	E575	E575-N577 PolarHBondContact O-N 3.37Å
578	I	54.4	Low	53.4	Low	102 Å²	102	97.7 Å²	97.7	52%	0.523	53%	0.528	S	S	.	.			trans	-114.7	105.2	-178.8	-53.4	176.7	0	0	0	108.5	C576 L580	C576-I578 HydrophobicContact CB-CD1 4.2Å; C576-I578 HydrophobicContact CB-CG1 4.24Å; C576-I578 PolarHBondContact O-N 3.06Å; I578-L580 HydrophobicContact CG2-CD2 3.78Å; I578-L580 HydrophobicContact CG2-CG 4.02Å; I578-L580 PolarHBondContact O-N 2.82Å
579	K	44.8	Very low	53.6	Low	206 Å²	206	100.2 Å²	100.2	90%	0.896	54%	0.537	S	S	*	.			trans	-76.3	111.3	173.8	-68.7	-172.4	176.9	-175.5	0	109.9
580	L	51.5	Low	54	Low	61 Å²	61	93.5 Å²	93.5	32%	0.319	50%	0.501	S	S	.	.			trans	-110.1	145.4	172.5	-60.6	-176.2	0	0	0	110.6	I578 G595	I578-L580 HydrophobicContact CG2-CD2 3.78Å; I578-L580 HydrophobicContact CG2-CG 4.02Å; I578-L580 PolarHBondContact O-N 2.82Å; L580-G595 WeakPolarHBondContact CD2-O 3.33Å
581	P	52.2	Low	54.3	Low	49 Å²	49	93.5 Å²	93.5	32%	0.318	51%	0.511	S	S	.	.			trans	-63.5	143.3	169.8	-19.7	32.4	0	0	0	111.2	R583 G584 Y585	P581-R583 PolarHBondContact O-N 3.02Å; P581-G584 PolarHBondContact O-N 3.35Å; P581-Y585 HydrophobicContact CG-CE2 4.29Å
582	P	52	Low	55.3	Low	133 Å²	133	90.4 Å²	90.4	86%	0.864	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-7.5	-172.8	26.4	-35.6	0	0	0	115.4
583	R	51.8	Low	56	Low	211 Å²	211	88.1 Å²	88.1	80%	0.796	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	1.6	170.9	-67	-172.6	173.6	-160.3	-1.6	113.6	P581 S593	P581-R583 PolarHBondContact O-N 3.02Å; R583-S593 PolarHBondContact O-OG 3.45Å
584	G	60.3	Low	57	Low	10 Å²	10	85.2 Å²	85.2	10%	0.103	45%	0.452	C	S	.	.			trans	71.2	-170.2	-171.6	0	0	0	0	0	113	P581	P581-G584 PolarHBondContact O-N 3.35Å
585	Y	65.1	Low	57.3	Low	73 Å²	73	79.6 Å²	79.6	29%	0.286	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.8	174.3	-62.1	-93.2	0	0	0	108.5	P581 F594 E597	P581-Y585 HydrophobicContact CG-CE2 4.29Å; Y585-F594 PolarHBondContact N-O 2.9Å; Y585-F594 WeakPolarHBondContact O-CB 3.46Å; Y585-F594 WeakPolarHBondContact O-CD2 3.38Å; Y585-F594 PolarHBondContact O-N 2.83Å; Y585-E597 HydrophobicContact CD1-CB 3.79Å; Y585-E597 HydrophobicContact CD1-CG 4.05Å; Y585-E597 HydrophobicContact CD2-CB 4.42Å; Y585-E597 VanDerWaalsContact CD2-N 3.28Å; Y585-E597 HydrophobicContact CE1-CB 3.7Å; Y585-E597 HydrophobicContact CE1-CG 4.08Å; Y585-E597 HydrophobicContact CE2-CB 4.35Å; Y585-E597 HydrophobicContact CG-CB 4.16Å
586	C	65.6	Low	58.3	Low	57 Å²	57	74.9 Å²	74.9	39%	0.385	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	149	-177.7	56.4	0	0	0	0	113.6	D592 L600	C586-D592 CarbonylContact C-O 3.13Å; C586-D592 WeakPolarHBondContact CA-O 3.26Å; C586-L600 WeakPolarHBondContact O-CD2 3.44Å
587	C	67.3	Low	59.4	Low	1 Å²	1	78.2 Å²	78.2	1%	0.007	41%	0.412	C	S	.	.			trans	-85.5	118.7	171.1	179.7	0	0	0	0	110.5	E589 C590 G591 D592 F594 L600 H603 Y604	C587-E589 VanDerWaalsContact C-N 3.25Å; C587-E589 PolarHBondContact O-N 2.86Å; C587-C590 WeakPolarHBondContact CB-SG 3.35Å; C587-C590 PolarHBondContact O-N 3.47Å; C587-C590 PolarHBondContact SG-SG 3.34Å; C587-G591 WeakPolarHBondContact O-CA 3.48Å; C587-G591 PolarHBondContact O-N 3.18Å; C587-D592 PolarHBondContact N-O 3.08Å; C587-F594 HydrophobicContact CB-CE2 4.28Å; C587-L600 HydrophobicContact CB-CD1 3.59Å; C587-H603 PolarHBondContact SG-NE2 3.07Å; C587-Y604 HydrophobicContact CB-CE1 4.48Å; C587-Y604 WeakPolarHBondContact SG-CE1 3.32Å
588	L	61.5	Low	60.1	Low	157 Å²	157	78.8 Å²	78.8	82%	0.822	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22	-176.1	-59.9	178.7	0	0	0	113.3	Y604	L588-Y604 PolarHBondContact N-OH 2.84Å
589	E	59	Low	60.6	Low	78 Å²	78	76.5 Å²	76.5	36%	0.364	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-21.6	177.2	-76.5	175.9	-159.7	0	0	113.9	C587 R607 N626 A632	C587-E589 VanDerWaalsContact C-N 3.25Å; C587-E589 PolarHBondContact O-N 2.86Å; E589-R607 VanDerWaalsContact CD-NH1 3.31Å; E589-R607 IonicContact OE1-CZ 2.7Å; E589-R607 IonicContact OE1-NH1 3.1Å; E589-R607 PolarHBondContact OE1-NH1 3.24Å; E589-R607 IonicContact OE1-NH2 2.71Å; E589-R607 PolarHBondContact OE1-NH2 3.37Å; E589-R607 IonicContact OE2-CZ 3.13Å; E589-R607 VanDerWaalsContact OE2-CZ 3.27Å; E589-R607 IonicContact OE2-NH1 3.14Å; E589-R607 PolarHBondContact OE2-NH1 3.34Å; E589-R607 VanDerWaalsContact OE2-NH1 3.1Å; E589-R607 IonicContact OE2-NH2 3.1Å; E589-R607 PolarHBondContact OE2-NH2 3.49Å; E589-R607 VanDerWaalsContact OE2-NH2 3.13Å; E589-N626 PolarHBondContact OE2-ND2 3.44Å; E589-A632 WeakPolarHBondContact O-CB 3.35Å
590	C	60.8	Low	61.8	Low	6 Å²	6	67.7 Å²	67.7	4%	0.041	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.8	2.8	-167	82.6	0	0	0	0	114.9	C587 D592 H603 C628 R635	C587-C590 WeakPolarHBondContact CB-SG 3.35Å; C587-C590 PolarHBondContact O-N 3.47Å; C587-C590 PolarHBondContact SG-SG 3.34Å; C590-D592 PolarHBondContact O-N 2.81Å; C590-D592 PolarHBondContact SG-OD2 3.12Å; C590-H603 PolarHBondContact SG-CE1 3.45Å; C590-H603 PolarHBondContact SG-NE2 3.27Å; C590-C628 HydrophobicContact CB-CB 3.89Å; C590-R635 PolarHBondContact O-NH1 2.86Å; C590-R635 PolarHBondContact O-NH2 2.83Å
591	G	60.8	Low	62.4	Low	40 Å²	40	66.6 Å²	66.6	41%	0.412	36%	0.357	S	S	.	.			trans	75.3	-20.1	175.9	0	0	0	0	0	116.1	V565 C587 S593	V565-G591 VanDerWaalsContact CG1-O 3.23Å; V565-G591 WeakPolarHBondContact CG1-O 3.36Å; C587-G591 WeakPolarHBondContact O-CA 3.48Å; C587-G591 PolarHBondContact O-N 3.18Å; G591-S593 PolarHBondContact O-N 2.85Å
592	D	67.1	Low	63	Low	20 Å²	20	70.2 Å²	70.2	11%	0.107	37%	0.368	C	S	.	.			trans	-61	130.2	-173.5	-61.9	-47.6	0	0	0	112.3	V565 Y566 C586 C587 C590 F594 R635	V565-D592 WeakPolarHBondContact CA-OD1 3.43Å; Y566-D592 PolarHBondContact N-OD1 3.02Å; C586-D592 CarbonylContact C-O 3.13Å; C586-D592 WeakPolarHBondContact CA-O 3.26Å; C587-D592 PolarHBondContact N-O 3.08Å; C590-D592 PolarHBondContact O-N 2.81Å; C590-D592 PolarHBondContact SG-OD2 3.12Å; D592-F594 HydrophobicContact CB-CE2 3.95Å; D592-F594 HydrophobicContact CB-CZ 3.97Å; D592-F594 WeakPolarHBondContact O-CE2 3.3Å; D592-R635 IonicContact OD1-NH1 3.22Å; D592-R635 IonicContact OD2-NH1 3.38Å
593	S	65.3	Low	63.8	Low	13 Å²	13	65 Å²	65	9%	0.091	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.5	178.2	-89	0	0	0	0	111.7	Y566 P568 R583 G591	Y566-S593 WeakPolarHBondContact CD1-O 3.18Å; Y566-S593 PolarHBondContact O-N 2.85Å; Y566-S593 VanDerWaalsContact O-O 3.1Å; P568-S593 WeakPolarHBondContact CD-O 3.31Å; R583-S593 PolarHBondContact O-OG 3.45Å; G591-S593 PolarHBondContact O-N 2.85Å
594	F	69.8	Low	64.3	Low	27 Å²	27	58.4 Å²	58.4	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.1	178.8	-60.7	-82.7	0	0	0	110.3	Y585 C587 D592 V596 L600 H603	Y585-F594 PolarHBondContact N-O 2.9Å; Y585-F594 WeakPolarHBondContact O-CB 3.46Å; Y585-F594 WeakPolarHBondContact O-CD2 3.38Å; Y585-F594 PolarHBondContact O-N 2.83Å; C587-F594 HydrophobicContact CB-CE2 4.28Å; D592-F594 HydrophobicContact CB-CE2 3.95Å; D592-F594 HydrophobicContact CB-CZ 3.97Å; D592-F594 WeakPolarHBondContact O-CE2 3.3Å; F594-V596 PolarHBondContact O-N 2.81Å; F594-L600 HydrophobicContact CB-CB 4.31Å; F594-L600 HydrophobicContact CD2-CB 3.81Å; F594-L600 HydrophobicContact CD2-CD1 3.86Å; F594-L600 HydrophobicContact CD2-CG 4.42Å; F594-L600 HydrophobicContact CE2-CD1 3.98Å; F594-L600 HydrophobicContact CG-CB 4.23Å; F594-H603 HydrophobicContact CE1-CB 4.45Å; F594-H603 HydrophobicContact CE2-CB 4.21Å; F594-H603 HydrophobicContact CZ-CB 3.89Å; F594-H603 AromaticContact CZ-CG 3.81Å; F594-H603 AromaticContact CZ-ND1 3.44Å; F594-H603 WeakPolarHBondContact CZ-ND1 3.36Å
595	G	55.3	Low	64.2	Low	19 Å²	19	62.8 Å²	62.8	20%	0.196	33%	0.329	C	S	.	.	S	Bend	trans	-66.8	-15.6	177.5	0	0	0	0	0	114.5	L580	L580-G595 WeakPolarHBondContact CD2-O 3.33Å
596	V	66.3	Low	63.9	Low	80 Å²	80	67.8 Å²	67.8	49%	0.485	35%	0.347	S	S	.	.	S	Bend	trans	-142.7	135.9	-178.8	-170.2	0	0	0	0	110.4	F594 R598 S599 L600	F594-V596 PolarHBondContact O-N 2.81Å; V596-R598 HydrophobicContact CG1-CB 4.18Å; V596-R598 PolarHBondContact O-N 3.45Å; V596-R598 VanDerWaalsContact O-N 3.15Å; V596-S599 WeakPolarHBondContact O-CB 3.25Å; V596-S599 PolarHBondContact O-N 3.04Å; V596-L600 PolarHBondContact O-N 3.33Å
597	E	67.4	Low	63.5	Low	129 Å²	129	69.5 Å²	69.5	60%	0.603	35%	0.345	S	S	*	.	H	α-helix	trans	-49.2	-39.1	176.6	-166.3	-162.9	164.3	0	0	113.1	Y585 S599 L600 A601	Y585-E597 HydrophobicContact CD1-CB 3.79Å; Y585-E597 HydrophobicContact CD1-CG 4.05Å; Y585-E597 HydrophobicContact CD2-CB 4.42Å; Y585-E597 VanDerWaalsContact CD2-N 3.28Å; Y585-E597 HydrophobicContact CE1-CB 3.7Å; Y585-E597 HydrophobicContact CE1-CG 4.08Å; Y585-E597 HydrophobicContact CE2-CB 4.35Å; Y585-E597 HydrophobicContact CG-CB 4.16Å; E597-S599 PolarHBondContact O-N 3.44Å; E597-L600 PolarHBondContact O-N 3.23Å; E597-A601 WeakPolarHBondContact O-CB 3.27Å; E597-A601 PolarHBondContact O-N 3.03Å
598	R	64	Low	62.8	Low	182 Å²	182	72.6 Å²	72.6	69%	0.687	37%	0.367	S	S	*	.	H	α-helix	trans	-58.9	-32.1	177.4	-176.2	176.4	-71	145.9	-1.4	113	V596 F602	V596-R598 HydrophobicContact CG1-CB 4.18Å; V596-R598 PolarHBondContact O-N 3.45Å; V596-R598 VanDerWaalsContact O-N 3.15Å; R598-F602 WeakPolarHBondContact O-CB 3.46Å; R598-F602 PolarHBondContact O-N 3.13Å
599	S	64.6	Low	62.8	Low	55 Å²	55	67.2 Å²	67.2	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-77.3	-38.8	178	-57.2	0	0	0	0	111.6	V596 E597 A601 F602 H603	V596-S599 WeakPolarHBondContact O-CB 3.25Å; V596-S599 PolarHBondContact O-N 3.04Å; E597-S599 PolarHBondContact O-N 3.44Å; S599-A601 VanDerWaalsContact C-N 3.35Å; S599-F602 PolarHBondContact O-N 3.1Å; S599-H603 WeakPolarHBondContact O-CB 3.12Å; S599-H603 PolarHBondContact O-N 3.41Å
600	L	69.8	Low	63.2	Low	20 Å²	20	65.4 Å²	65.4	11%	0.105	33%	0.332	C	S	.	.	H	α-helix	trans	-62	-42.7	169.4	174.9	60.2	0	0	0	111.2	C586 C587 F594 V596 E597 F602 H603 Y604	C586-L600 WeakPolarHBondContact O-CD2 3.44Å; C587-L600 HydrophobicContact CB-CD1 3.59Å; F594-L600 HydrophobicContact CB-CB 4.31Å; F594-L600 HydrophobicContact CD2-CB 3.81Å; F594-L600 HydrophobicContact CD2-CD1 3.86Å; F594-L600 HydrophobicContact CD2-CG 4.42Å; F594-L600 HydrophobicContact CE2-CD1 3.98Å; F594-L600 HydrophobicContact CG-CB 4.23Å; V596-L600 PolarHBondContact O-N 3.33Å; E597-L600 PolarHBondContact O-N 3.23Å; L600-F602 VanDerWaalsContact C-N 3.34Å; L600-F602 PolarHBondContact O-N 3.29Å; L600-H603 WeakPolarHBondContact O-CB 3.5Å; L600-H603 PolarHBondContact O-N 2.88Å; L600-Y604 HydrophobicContact CD1-CD2 4.12Å; L600-Y604 HydrophobicContact CD1-CE1 4.4Å; L600-Y604 HydrophobicContact CD1-CE2 3.61Å; L600-Y604 HydrophobicContact CD2-CE2 4.13Å; L600-Y604 HydrophobicContact CG-CD2 4.08Å; L600-Y604 HydrophobicContact CG-CE2 3.68Å; L600-Y604 WeakPolarHBondContact O-CD2 3.45Å; L600-Y604 PolarHBondContact O-N 2.72Å
601	A	65.6	Low	63.9	Low	38 Å²	38	65.6 Å²	65.6	31%	0.314	33%	0.333	S	S	.	.	H	α-helix	trans	-60.8	-42.5	173.1	0	0	0	0	0	111.4	E597 S599 H603 Y604 N605	E597-A601 WeakPolarHBondContact O-CB 3.27Å; E597-A601 PolarHBondContact O-N 3.03Å; S599-A601 VanDerWaalsContact C-N 3.35Å; A601-H603 PolarHBondContact O-N 3.16Å; A601-Y604 PolarHBondContact O-N 2.9Å; A601-N605 PolarHBondContact O-N 2.66Å; A601-N605 PolarHBondContact O-ND2 2.86Å
602	F	63.3	Low	64.7	Low	126 Å²	126	65 Å²	65	55%	0.553	32%	0.319	S	S	*	.	H	α-helix	trans	-64.6	-38.7	176.1	-172.8	-110.9	0	0	0	112.6	R598 S599 L600 N605 R606	R598-F602 WeakPolarHBondContact O-CB 3.46Å; R598-F602 PolarHBondContact O-N 3.13Å; S599-F602 PolarHBondContact O-N 3.1Å; L600-F602 VanDerWaalsContact C-N 3.34Å; L600-F602 PolarHBondContact O-N 3.29Å; F602-N605 PolarHBondContact O-N 2.94Å; F602-R606 PolarHBondContact O-N 2.69Å
603	H	69.3	Low	65.4	Low	24 Å²	24	64.1 Å²	64.1	11%	0.111	31%	0.314	C	S	.	.	H	α-helix	trans	-57.7	-46.7	171	175	109.3	0	0	0	111.4	C587 C590 F594 S599 L600 A601 N605 R606 C628	C587-H603 PolarHBondContact SG-NE2 3.07Å; C590-H603 PolarHBondContact SG-CE1 3.45Å; C590-H603 PolarHBondContact SG-NE2 3.27Å; F594-H603 HydrophobicContact CE1-CB 4.45Å; F594-H603 HydrophobicContact CE2-CB 4.21Å; F594-H603 HydrophobicContact CZ-CB 3.89Å; F594-H603 AromaticContact CZ-CG 3.81Å; F594-H603 AromaticContact CZ-ND1 3.44Å; F594-H603 WeakPolarHBondContact CZ-ND1 3.36Å; S599-H603 WeakPolarHBondContact O-CB 3.12Å; S599-H603 PolarHBondContact O-N 3.41Å; L600-H603 WeakPolarHBondContact O-CB 3.5Å; L600-H603 PolarHBondContact O-N 2.88Å; A601-H603 PolarHBondContact O-N 3.16Å; H603-N605 PolarHBondContact O-N 2.93Å; H603-R606 PolarHBondContact O-N 3.43Å; H603-C628 PolarHBondContact CE1-SG 2.7Å; H603-C628 PolarHBondContact NE2-SG 3.39Å
604	Y	63.4	Low	66.1	Low	72 Å²	72	63.6 Å²	63.6	28%	0.282	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-29.7	175	-69.5	-41.7	0	0	0	114.6	C587 L588 L600 A601 R606 R607	C587-Y604 HydrophobicContact CB-CE1 4.48Å; C587-Y604 WeakPolarHBondContact SG-CE1 3.32Å; L588-Y604 PolarHBondContact N-OH 2.84Å; L600-Y604 HydrophobicContact CD1-CD2 4.12Å; L600-Y604 HydrophobicContact CD1-CE1 4.4Å; L600-Y604 HydrophobicContact CD1-CE2 3.61Å; L600-Y604 HydrophobicContact CD2-CE2 4.13Å; L600-Y604 HydrophobicContact CG-CD2 4.08Å; L600-Y604 HydrophobicContact CG-CE2 3.68Å; L600-Y604 WeakPolarHBondContact O-CD2 3.45Å; L600-Y604 PolarHBondContact O-N 2.72Å; A601-Y604 PolarHBondContact O-N 2.9Å; Y604-R606 PolarHBondContact O-N 3.47Å; Y604-R607 VanDerWaalsContact CD1-NH2 3.26Å; Y604-R607 WeakPolarHBondContact O-CG 3.03Å
605	N	58.2	Low	66.8	Low	102 Å²	102	62.5 Å²	62.5	55%	0.545	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	0	178.1	-77.2	-89.5	0	0	0	113.5	A601 F602 H603 R607	A601-N605 PolarHBondContact O-N 2.66Å; A601-N605 PolarHBondContact O-ND2 2.86Å; F602-N605 PolarHBondContact O-N 2.94Å; H603-N605 PolarHBondContact O-N 2.93Å; N605-R607 VanDerWaalsContact C-N 3.26Å; N605-R607 PolarHBondContact O-N 3.48Å
606	R	57.8	Low	67.8	Low	177 Å²	177	64.3 Å²	64.3	67%	0.668	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	9.7	171.8	-76.3	-178.9	167.2	-165.2	-6.8	114.2	F602 H603 Y604 S608	F602-R606 PolarHBondContact O-N 2.69Å; H603-R606 PolarHBondContact O-N 3.43Å; Y604-R606 PolarHBondContact O-N 3.47Å; R606-S608 PolarHBondContact O-N 3.2Å
607	R	57.4	Low	68.3	Low	93 Å²	93	64.6 Å²	64.6	35%	0.351	31%	0.31	S	S	.	.			trans	-84.3	103.7	175.2	-61.4	179.2	-156.6	-135.8	8.8	111.3	E589 Y604 N605 N626	E589-R607 VanDerWaalsContact CD-NH1 3.31Å; E589-R607 IonicContact OE1-CZ 2.7Å; E589-R607 IonicContact OE1-NH1 3.1Å; E589-R607 PolarHBondContact OE1-NH1 3.24Å; E589-R607 IonicContact OE1-NH2 2.71Å; E589-R607 PolarHBondContact OE1-NH2 3.37Å; E589-R607 IonicContact OE2-CZ 3.13Å; E589-R607 VanDerWaalsContact OE2-CZ 3.27Å; E589-R607 IonicContact OE2-NH1 3.14Å; E589-R607 PolarHBondContact OE2-NH1 3.34Å; E589-R607 VanDerWaalsContact OE2-NH1 3.1Å; E589-R607 IonicContact OE2-NH2 3.1Å; E589-R607 PolarHBondContact OE2-NH2 3.49Å; E589-R607 VanDerWaalsContact OE2-NH2 3.13Å; Y604-R607 VanDerWaalsContact CD1-NH2 3.26Å; Y604-R607 WeakPolarHBondContact O-CG 3.03Å; N605-R607 VanDerWaalsContact C-N 3.26Å; N605-R607 PolarHBondContact O-N 3.48Å; R607-N626 HydrophobicContact CG-CB 3.98Å
608	S	53.4	Low	68.8	Low	66 Å²	66	60.7 Å²	60.7	46%	0.462	30%	0.296	S	S	.	.			trans	-150	7.6	173	56.7	0	0	0	0	114.2	R606 I654	R606-S608 PolarHBondContact O-N 3.2Å; S608-I654 PolarHBondContact O-N 2.84Å
609	V	60.8	Low	69.3	Low	45 Å²	45	56.5 Å²	56.5	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.7	-171.3	-172.2	0	0	0	0	109.9	I611 F625 L651	V609-I611 HydrophobicContact CB-CG1 4.37Å; V609-I611 HydrophobicContact CG1-CG1 4.03Å; V609-F625 CarbonylContact O-C 2.88Å; V609-L651 HydrophobicContact CG1-CB 3.81Å; V609-L651 HydrophobicContact CG1-CD2 4.16Å; V609-L651 HydrophobicContact CG1-CG 4.28Å
610	Q	67.3	Low	69.9	Low	40 Å²	40	60.7 Å²	60.7	19%	0.187	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113	168.1	167.9	173.5	-21	0	0	107.9	E612 V623 F625 K652 I654	Q610-E612 HydrophobicContact CG-CG 4.21Å; Q610-E612 PolarHBondContact NE2-OE1 3.36Å; Q610-V623 HydrophobicContact CG-CG1 3.7Å; Q610-F625 HydrophobicContact CB-CD1 4.42Å; Q610-F625 HydrophobicContact CG-CE1 4.37Å; Q610-K652 HydrophobicContact CB-CB 4.27Å; Q610-K652 PolarHBondContact N-O 3.49Å; Q610-K652 PolarHBondContact O-N 3.46Å; Q610-I654 HydrophobicContact CB-CD1 4.14Å; Q610-I654 HydrophobicContact CB-CG1 3.86Å
611	I	75.3	Confident	70.3	Confident	10 Å²	10	64 Å²	64	5%	0.051	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	105.9	-177.6	-47.6	174.1	0	0	0	108.3	V609 V613 F624 R627 L630 L649 H650 L651	V609-I611 HydrophobicContact CB-CG1 4.37Å; V609-I611 HydrophobicContact CG1-CG1 4.03Å; I611-V613 HydrophobicContact CG2-CG2 3.7Å; I611-F624 HydrophobicContact CB-CB 4.42Å; I611-F624 WeakPolarHBondContact CB-O 3.43Å; I611-F624 PolarHBondContact N-O 3.14Å; I611-F624 PolarHBondContact O-N 3.34Å; I611-R627 HydrophobicContact CD1-CB 3.97Å; I611-L630 HydrophobicContact CG2-CD2 4.1Å; I611-L649 HydrophobicContact CG2-CD1 3.57Å; I611-H650 CarbonylContact C-O 3.18Å; I611-H650 WeakPolarHBondContact CA-O 3.07Å; I611-L651 HydrophobicContact CG1-CD2 4.48Å; I611-L651 HydrophobicContact CG1-CG 4.44Å; I611-L651 HydrophobicContact CG2-CG 4.29Å
612	E	78.3	Confident	70.9	Confident	28 Å²	28	64.4 Å²	64.4	13%	0.131	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.8	178.3	-55.1	172.3	165.1	0	0	108.5	Q610 V623 L649 H650 K652	Q610-E612 HydrophobicContact CG-CG 4.21Å; Q610-E612 PolarHBondContact NE2-OE1 3.36Å; E612-V623 HydrophobicContact CG-CG1 4.39Å; E612-V623 HydrophobicContact CG-CG2 4.33Å; E612-L649 WeakPolarHBondContact O-CA 3.4Å; E612-H650 HydrophobicContact CB-CB 4.18Å; E612-H650 PolarHBondContact N-O 3.16Å; E612-H650 PolarHBondContact O-N 3.09Å; E612-H650 IonicContact OE2-CG 3.66Å; E612-H650 IonicContact OE2-ND1 3.81Å; E612-H650 PolarHBondContact OE2-ND1 2.85Å; E612-H650 VanDerWaalsContact OE2-ND1 3.1Å; E612-K652 WeakPolarHBondContact OE1-CE 3.2Å; E612-K652 IonicContact OE1-NZ 2.61Å; E612-K652 PolarHBondContact OE1-NZ 2.77Å; E612-K652 VanDerWaalsContact OE2-CE 3.31Å; E612-K652 WeakPolarHBondContact OE2-CE 3.42Å; E612-K652 IonicContact OE2-NZ 3.4Å; E612-K652 PolarHBondContact OE2-NZ 3.39Å
613	V	81.1	Confident	71.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	112.8	-171.9	-167.4	0	0	0	0	111.1	I611 C615 T621 L622 F624 L630 M644 C646 Q648 L649	I611-V613 HydrophobicContact CG2-CG2 3.7Å; V613-C615 PolarHBondContact O-N 2.81Å; V613-T621 WeakPolarHBondContact O-CA 3.37Å; V613-L622 PolarHBondContact N-O 3.41Å; V613-L622 PolarHBondContact O-N 3.06Å; V613-F624 HydrophobicContact CB-CD2 4.38Å; V613-F624 HydrophobicContact CB-CE2 4.22Å; V613-F624 HydrophobicContact CG2-CD2 3.99Å; V613-F624 HydrophobicContact CG2-CE2 4.29Å; V613-L630 HydrophobicContact CB-CD1 4.3Å; V613-L630 HydrophobicContact CG1-CD1 4.15Å; V613-L630 HydrophobicContact CG2-CD1 3.84Å; V613-L630 HydrophobicContact CG2-CD2 4.12Å; V613-M644 HydrophobicContact CG1-CE 3.6Å; V613-C646 HydrophobicContact CG1-CB 4.26Å; V613-Q648 CarbonylContact C-O 3.56Å; V613-Q648 WeakPolarHBondContact CA-O 3.13Å; V613-L649 HydrophobicContact CG2-CD1 3.75Å
614	G	80.1	Confident	71.6	Confident	3 Å²	3	61.7 Å²	61.7	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	103.8	168.8	0	0	0	0	0	110.3	C646 T647 Q648	G614-C646 CarbonylContact O-C 3.21Å; G614-C646 VanDerWaalsContact O-CA 3.3Å; G614-C646 WeakPolarHBondContact O-CA 3.39Å; G614-T647 PolarHBondContact O-N 3.43Å; G614-T647 PolarHBondContact O-OG1 2.83Å; G614-Q648 PolarHBondContact N-O 2.85Å
615	C	83.7	Confident	71.6	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.3	176.6	-178.1	0	0	0	0	110.6	V613 C618 A619 K620 H637 M644	V613-C615 PolarHBondContact O-N 2.81Å; C615-C618 HydrophobicContact CB-CB 4.19Å; C615-C618 PolarHBondContact O-N 3.17Å; C615-A619 PolarHBondContact O-N 2.92Å; C615-A619 VanDerWaalsContact O-N 3.09Å; C615-K620 PolarHBondContact N-O 3.27Å; C615-K620 PolarHBondContact O-N 2.65Å; C615-H637 PolarHBondContact SG-NE2 2.88Å; C615-M644 HydrophobicContact CB-CE 4.06Å
616	T	77.8	Confident	72	Confident	57 Å²	57	59.3 Å²	59.3	35%	0.35	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-46.9	177.7	55.3	0	0	0	0	112	C618 A619 Q645 T647	T616-C618 VanDerWaalsContact C-N 3.29Å; T616-C618 PolarHBondContact O-N 2.82Å; T616-A619 PolarHBondContact O-N 3.38Å; T616-A619 VanDerWaalsContact O-N 3.08Å; T616-Q645 HydrophobicContact CG2-CB 4.09Å; T616-Q645 PolarHBondContact N-O 3.5Å; T616-Q645 WeakPolarHBondContact OG1-CB 3.42Å; T616-Q645 PolarHBondContact OG1-O 2.86Å; T616-T647 HydrophobicContact CG2-CG2 3.67Å
617	H	75.6	Confident	72.6	Confident	86 Å²	86	59.4 Å²	59.4	40%	0.398	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20.3	-174.4	-69.5	-86.6	0	0	0	113.7	H637 V643	H617-H637 WeakPolarHBondContact CB-CE1 3.4Å; H617-V643 PolarHBondContact NE2-O 2.8Å
618	C	78.6	Confident	73.2	Confident	47 Å²	47	55.7 Å²	55.7	32%	0.318	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-5.5	170.2	-84.2	0	0	0	0	114	C615 T616 K620 H637	C615-C618 HydrophobicContact CB-CB 4.19Å; C615-C618 PolarHBondContact O-N 3.17Å; T616-C618 VanDerWaalsContact C-N 3.29Å; T616-C618 PolarHBondContact O-N 2.82Å; C618-K620 HydrophobicContact CB-CB 4.39Å; C618-K620 VanDerWaalsContact O-CG 3.3Å; C618-K620 WeakPolarHBondContact O-CG 3.1Å; C618-K620 PolarHBondContact O-N 3.28Å; C618-K620 VanDerWaalsContact O-N 3.1Å; C618-H637 PolarHBondContact SG-CE1 2.85Å; C618-H637 PolarHBondContact SG-NE2 3.45Å
619	A	75.1	Confident	74.1	Confident	94 Å²	94	53.8 Å²	53.8	78%	0.777	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	31.3	-172.1	0	0	0	0	0	114.1	C615 T616	C615-A619 PolarHBondContact O-N 2.92Å; C615-A619 VanDerWaalsContact O-N 3.09Å; T616-A619 PolarHBondContact O-N 3.38Å; T616-A619 VanDerWaalsContact O-N 3.08Å
620	K	75.3	Confident	74.9	Confident	143 Å²	143	52.4 Å²	52.4	62%	0.622	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.6	-170.5	-75.1	169.9	-174.2	177.1	0	111.4	C615 C618 L622	C615-K620 PolarHBondContact N-O 3.27Å; C615-K620 PolarHBondContact O-N 2.65Å; C618-K620 HydrophobicContact CB-CB 4.39Å; C618-K620 VanDerWaalsContact O-CG 3.3Å; C618-K620 WeakPolarHBondContact O-CG 3.1Å; C618-K620 PolarHBondContact O-N 3.28Å; C618-K620 VanDerWaalsContact O-N 3.1Å; K620-L622 HydrophobicContact CB-CD2 4.13Å
621	T	78.6	Confident	75.2	Confident	89 Å²	89	53.2 Å²	53.2	55%	0.546	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	113.3	166.7	-53.8	0	0	0	0	108.9	V613	V613-T621 WeakPolarHBondContact O-CA 3.37Å
622	L	77.8	Confident	75	Confident	48 Å²	48	54.1 Å²	54.1	25%	0.251	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.6	-177.8	-59.5	178	0	0	0	109.9	V613 K620 F624 H633	V613-L622 PolarHBondContact N-O 3.41Å; V613-L622 PolarHBondContact O-N 3.06Å; K620-L622 HydrophobicContact CB-CD2 4.13Å; L622-F624 HydrophobicContact CB-CD2 4.38Å; L622-F624 HydrophobicContact CB-CE2 3.57Å; L622-F624 HydrophobicContact CB-CZ 3.69Å; L622-F624 HydrophobicContact CD1-CE2 4.37Å; L622-F624 HydrophobicContact CD1-CZ 3.85Å; L622-F624 HydrophobicContact CG-CZ 4.44Å; L622-H633 WeakPolarHBondContact CD1-NE2 3.44Å
623	V	74.3	Confident	75.1	Confident	64 Å²	64	53.4 Å²	53.4	39%	0.388	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	110.3	-177.8	-172.6	0	0	0	0	109.3	Q610 E612 F625	Q610-V623 HydrophobicContact CG-CG1 3.7Å; E612-V623 HydrophobicContact CG-CG1 4.39Å; E612-V623 HydrophobicContact CG-CG2 4.33Å; V623-F625 HydrophobicContact CG1-CE1 4.03Å; V623-F625 HydrophobicContact CG1-CE2 4.32Å; V623-F625 HydrophobicContact CG1-CZ 3.82Å
624	F	73.8	Confident	74.9	Confident	28 Å²	28	53.8 Å²	53.8	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.5	179.8	-57.7	-79.4	0	0	0	110.3	I611 V613 L622 N626 A629 L630 H633	I611-F624 HydrophobicContact CB-CB 4.42Å; I611-F624 WeakPolarHBondContact CB-O 3.43Å; I611-F624 PolarHBondContact N-O 3.14Å; I611-F624 PolarHBondContact O-N 3.34Å; V613-F624 HydrophobicContact CB-CD2 4.38Å; V613-F624 HydrophobicContact CB-CE2 4.22Å; V613-F624 HydrophobicContact CG2-CD2 3.99Å; V613-F624 HydrophobicContact CG2-CE2 4.29Å; L622-F624 HydrophobicContact CB-CD2 4.38Å; L622-F624 HydrophobicContact CB-CE2 3.57Å; L622-F624 HydrophobicContact CB-CZ 3.69Å; L622-F624 HydrophobicContact CD1-CE2 4.37Å; L622-F624 HydrophobicContact CD1-CZ 3.85Å; L622-F624 HydrophobicContact CG-CZ 4.44Å; F624-N626 PolarHBondContact O-N 3.38Å; F624-A629 HydrophobicContact CD1-CB 3.83Å; F624-L630 HydrophobicContact CB-CB 4.28Å; F624-L630 HydrophobicContact CD2-CB 3.99Å; F624-L630 HydrophobicContact CD2-CD1 3.9Å; F624-L630 HydrophobicContact CD2-CG 4.49Å; F624-L630 HydrophobicContact CE2-CB 4.47Å; F624-L630 HydrophobicContact CE2-CD1 3.75Å; F624-L630 HydrophobicContact CG-CB 4.03Å; F624-L630 HydrophobicContact CZ-CD1 4.48Å; F624-H633 HydrophobicContact CE1-CB 3.85Å; F624-H633 HydrophobicContact CZ-CB 3.62Å; F624-H633 AromaticContact CZ-CD2 3.6Å; F624-H633 AromaticContact CZ-CG 3.67Å
625	F	64.1	Low	74.7	Confident	119 Å²	119	55.6 Å²	55.6	52%	0.522	30%	0.297	S	S	.	.	S	Bend	trans	-77.4	7.4	172.5	-51.6	-79.2	0	0	0	113.1	V609 Q610 V623 I654	V609-F625 CarbonylContact O-C 2.88Å; Q610-F625 HydrophobicContact CB-CD1 4.42Å; Q610-F625 HydrophobicContact CG-CE1 4.37Å; V623-F625 HydrophobicContact CG1-CE1 4.03Å; V623-F625 HydrophobicContact CG1-CE2 4.32Å; V623-F625 HydrophobicContact CG1-CZ 3.82Å; F625-I654 HydrophobicContact CD1-CD1 4.11Å
626	N	66.4	Low	74.2	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.027	32%	0.32	C	S	.	.	S	Bend	trans	-149.6	127.9	-178.4	-173.3	2.6	0	0	0	110.3	E589 R607 F624 C628 A629 L630	E589-N626 PolarHBondContact OE2-ND2 3.44Å; R607-N626 HydrophobicContact CG-CB 3.98Å; F624-N626 PolarHBondContact O-N 3.38Å; N626-C628 PolarHBondContact O-N 3.08Å; N626-C628 WeakPolarHBondContact OD1-CB 3.33Å; N626-C628 PolarHBondContact OD1-N 2.81Å; N626-C628 PolarHBondContact OD1-SG 3.48Å; N626-C628 VanDerWaalsContact OD1-SG 3.37Å; N626-A629 HydrophobicContact CB-CB 4.17Å; N626-A629 PolarHBondContact O-N 3.01Å; N626-A629 VanDerWaalsContact O-N 3.09Å; N626-L630 PolarHBondContact O-N 3.39Å
627	R	69	Low	74.2	Confident	179 Å²	179	58.5 Å²	58.5	68%	0.675	31%	0.306	S	S	*	.	H	α-helix	trans	-57.7	-28.8	172.8	-177.1	172.3	177.1	154.6	-0.5	112.3	I611 L630 L631	I611-R627 HydrophobicContact CD1-CB 3.97Å; R627-L630 PolarHBondContact O-N 2.97Å; R627-L631 WeakPolarHBondContact O-CG 3.39Å; R627-L631 PolarHBondContact O-N 3.28Å; R627-L631 VanDerWaalsContact O-N 3.12Å
628	C	70.8	Confident	74	Confident	16 Å²	16	58.6 Å²	58.6	11%	0.108	31%	0.306	C	S	.	.	H	α-helix	trans	-74.6	-28.5	-180	-48.5	0	0	0	0	112.4	C590 H603 N626 L631 A632	C590-C628 HydrophobicContact CB-CB 3.89Å; H603-C628 PolarHBondContact CE1-SG 2.7Å; H603-C628 PolarHBondContact NE2-SG 3.39Å; N626-C628 PolarHBondContact O-N 3.08Å; N626-C628 WeakPolarHBondContact OD1-CB 3.33Å; N626-C628 PolarHBondContact OD1-N 2.81Å; N626-C628 PolarHBondContact OD1-SG 3.48Å; N626-C628 VanDerWaalsContact OD1-SG 3.37Å; C628-L631 PolarHBondContact O-N 3.01Å; C628-A632 PolarHBondContact O-N 3.12Å
629	A	72.6	Confident	73.4	Confident	26 Å²	26	60.9 Å²	60.9	22%	0.215	32%	0.322	C	S	.	.	H	α-helix	trans	-73.2	-38.4	172.8	0	0	0	0	0	111.7	F624 N626 L631 A632 H633	F624-A629 HydrophobicContact CD1-CB 3.83Å; N626-A629 HydrophobicContact CB-CB 4.17Å; N626-A629 PolarHBondContact O-N 3.01Å; N626-A629 VanDerWaalsContact O-N 3.09Å; A629-L631 VanDerWaalsContact C-N 3.31Å; A629-L631 PolarHBondContact O-N 2.97Å; A629-A632 WeakPolarHBondContact O-CB 3.4Å; A629-A632 PolarHBondContact O-N 2.75Å; A629-A632 VanDerWaalsContact O-N 3.13Å; A629-H633 PolarHBondContact O-N 3.1Å
630	L	77.2	Confident	73.3	Confident	15 Å²	15	61.8 Å²	61.8	8%	0.079	31%	0.314	C	S	.	.	H	α-helix	trans	-58.7	-42.4	169.1	173.9	58.6	0	0	0	111.7	I611 V613 F624 N626 R627 A632 H633 A634 M644	I611-L630 HydrophobicContact CG2-CD2 4.1Å; V613-L630 HydrophobicContact CB-CD1 4.3Å; V613-L630 HydrophobicContact CG1-CD1 4.15Å; V613-L630 HydrophobicContact CG2-CD1 3.84Å; V613-L630 HydrophobicContact CG2-CD2 4.12Å; F624-L630 HydrophobicContact CB-CB 4.28Å; F624-L630 HydrophobicContact CD2-CB 3.99Å; F624-L630 HydrophobicContact CD2-CD1 3.9Å; F624-L630 HydrophobicContact CD2-CG 4.49Å; F624-L630 HydrophobicContact CE2-CB 4.47Å; F624-L630 HydrophobicContact CE2-CD1 3.75Å; F624-L630 HydrophobicContact CG-CB 4.03Å; F624-L630 HydrophobicContact CZ-CD1 4.48Å; N626-L630 PolarHBondContact O-N 3.39Å; R627-L630 PolarHBondContact O-N 2.97Å; L630-A632 VanDerWaalsContact C-N 3.32Å; L630-A632 PolarHBondContact O-N 2.8Å; L630-H633 PolarHBondContact O-N 3.28Å; L630-A634 WeakPolarHBondContact O-CB 3.34Å; L630-A634 PolarHBondContact O-N 3Å; L630-M644 HydrophobicContact CD1-CE 3.82Å; L630-M644 HydrophobicContact CD1-SD 4.3Å
631	L	73.5	Confident	73	Confident	57 Å²	57	58.5 Å²	58.5	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-69.8	-26	175.7	-70	170.5	0	0	0	113.1	R627 C628 A629 R635	R627-L631 WeakPolarHBondContact O-CG 3.39Å; R627-L631 PolarHBondContact O-N 3.28Å; R627-L631 VanDerWaalsContact O-N 3.12Å; C628-L631 PolarHBondContact O-N 3.01Å; A629-L631 VanDerWaalsContact C-N 3.31Å; A629-L631 PolarHBondContact O-N 2.97Å; L631-R635 WeakPolarHBondContact O-CG 3.36Å; L631-R635 PolarHBondContact O-N 3.41Å; L631-R635 PolarHBondContact O-NE 3.31Å
632	A	72.3	Confident	72.7	Confident	30 Å²	30	56.2 Å²	56.2	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-49.4	170.4	0	0	0	0	0	111.2	E589 C628 A629 L630 A634 R635 E636	E589-A632 WeakPolarHBondContact O-CB 3.35Å; C628-A632 PolarHBondContact O-N 3.12Å; A629-A632 WeakPolarHBondContact O-CB 3.4Å; A629-A632 PolarHBondContact O-N 2.75Å; A629-A632 VanDerWaalsContact O-N 3.13Å; L630-A632 VanDerWaalsContact C-N 3.32Å; L630-A632 PolarHBondContact O-N 2.8Å; A632-A634 VanDerWaalsContact C-N 3.34Å; A632-A634 PolarHBondContact O-N 3.02Å; A632-R635 WeakPolarHBondContact O-CA 3.25Å; A632-R635 WeakPolarHBondContact O-CB 3.3Å; A632-R635 PolarHBondContact O-N 3.4Å; A632-E636 PolarHBondContact O-N 2.9Å
633	H	79.2	Confident	72.5	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.056	31%	0.311	C	S	.	.	H	α-helix	trans	-60.2	-39	175.3	177.4	57.6	0	0	0	113.1	L622 F624 A629 L630 R635 E636 H637	L622-H633 WeakPolarHBondContact CD1-NE2 3.44Å; F624-H633 HydrophobicContact CE1-CB 3.85Å; F624-H633 HydrophobicContact CZ-CB 3.62Å; F624-H633 AromaticContact CZ-CD2 3.6Å; F624-H633 AromaticContact CZ-CG 3.67Å; A629-H633 PolarHBondContact O-N 3.1Å; L630-H633 PolarHBondContact O-N 3.28Å; H633-R635 PolarHBondContact O-N 3.28Å; H633-E636 IonicContact ND1-OE2 3.99Å; H633-E636 PolarHBondContact ND1-OE2 3.35Å; H633-E636 WeakPolarHBondContact O-CB 3.49Å; H633-E636 PolarHBondContact O-N 3.41Å; H633-H637 AromaticContact CE1-CD2 3.46Å; H633-H637 PolarHBondContact CE1-CD2 2.84Å; H633-H637 VanDerWaalsContact CE1-CD2 3.46Å; H633-H637 AromaticContact CE1-NE2 3.05Å; H633-H637 PolarHBondContact CE1-NE2 2.78Å; H633-H637 AromaticContact ND1-NE2 3.96Å; H633-H637 AromaticContact NE2-CD2 3.67Å; H633-H637 AromaticContact NE2-NE2 3.42Å; H633-H637 PolarHBondContact NE2-NE2 2.6Å; H633-H637 PolarHBondContact O-N 3.07Å
634	A	77.8	Confident	72.7	Confident	8 Å²	8	53.4 Å²	53.4	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-28.4	173.1	0	0	0	0	0	113.3	L557 L630 A632 M644	L557-A634 HydrophobicContact CD2-CB 4.09Å; L630-A634 WeakPolarHBondContact O-CB 3.34Å; L630-A634 PolarHBondContact O-N 3Å; A632-A634 VanDerWaalsContact C-N 3.34Å; A632-A634 PolarHBondContact O-N 3.02Å; A634-M644 HydrophobicContact CB-CB 4.45Å; A634-M644 HydrophobicContact CB-SD 3.76Å
635	R	75.6	Confident	72.8	Confident	41 Å²	41	57 Å²	57	16%	0.155	31%	0.31	C	S	.	.	H	α-helix	trans	-81.1	-34.7	174.6	-78.4	173.2	-68.8	-166.1	8.2	112.6	V563 C590 D592 L631 A632 H633 H637 K638 S639	V563-R635 HydrophobicContact CB-CG 4.28Å; V563-R635 HydrophobicContact CG1-CG 4.31Å; C590-R635 PolarHBondContact O-NH1 2.86Å; C590-R635 PolarHBondContact O-NH2 2.83Å; D592-R635 IonicContact OD1-NH1 3.22Å; D592-R635 IonicContact OD2-NH1 3.38Å; L631-R635 WeakPolarHBondContact O-CG 3.36Å; L631-R635 PolarHBondContact O-N 3.41Å; L631-R635 PolarHBondContact O-NE 3.31Å; A632-R635 WeakPolarHBondContact O-CA 3.25Å; A632-R635 WeakPolarHBondContact O-CB 3.3Å; A632-R635 PolarHBondContact O-N 3.4Å; H633-R635 PolarHBondContact O-N 3.28Å; R635-H637 PolarHBondContact O-N 3.48Å; R635-K638 CarbonylContact O-C 2.98Å; R635-K638 WeakPolarHBondContact O-CA 3.24Å; R635-K638 PolarHBondContact O-N 2.05Å; R635-S639 PolarHBondContact O-N 2.89Å; R635-S639 PolarHBondContact O-OG 2.84Å
636	E	73.6	Confident	73.5	Confident	106 Å²	106	51.5 Å²	51.5	50%	0.495	29%	0.287	S	S	.	.	H	α-helix	trans	-56.7	-46.8	173.8	179.9	-174.6	-159.3	0	0	111.8	A632 H633 K638 S639 N640	A632-E636 PolarHBondContact O-N 2.9Å; H633-E636 IonicContact ND1-OE2 3.99Å; H633-E636 PolarHBondContact ND1-OE2 3.35Å; H633-E636 WeakPolarHBondContact O-CB 3.49Å; H633-E636 PolarHBondContact O-N 3.41Å; E636-K638 VanDerWaalsContact C-N 3.29Å; E636-K638 PolarHBondContact O-N 3.16Å; E636-S639 WeakPolarHBondContact CA-OG 3.23Å; E636-S639 PolarHBondContact O-OG 3.28Å; E636-N640 PolarHBondContact O-N 3.39Å; E636-N640 PolarHBondContact O-ND2 2.59Å; E636-N640 PolarHBondContact O-OD1 3.04Å
637	H	76.3	Confident	73.8	Confident	15 Å²	15	56 Å²	56	7%	0.069	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-38.4	172	-77.3	-59.4	0	0	0	112.5	C615 H617 C618 H633 R635 N640 G641 S642 M644	C615-H637 PolarHBondContact SG-NE2 2.88Å; H617-H637 WeakPolarHBondContact CB-CE1 3.4Å; C618-H637 PolarHBondContact SG-CE1 2.85Å; C618-H637 PolarHBondContact SG-NE2 3.45Å; H633-H637 AromaticContact CE1-CD2 3.46Å; H633-H637 PolarHBondContact CE1-CD2 2.84Å; H633-H637 VanDerWaalsContact CE1-CD2 3.46Å; H633-H637 AromaticContact CE1-NE2 3.05Å; H633-H637 PolarHBondContact CE1-NE2 2.78Å; H633-H637 AromaticContact ND1-NE2 3.96Å; H633-H637 AromaticContact NE2-CD2 3.67Å; H633-H637 AromaticContact NE2-NE2 3.42Å; H633-H637 PolarHBondContact NE2-NE2 2.6Å; H633-H637 PolarHBondContact O-N 3.07Å; R635-H637 PolarHBondContact O-N 3.48Å; H637-N640 CarbonylContact O-C 3.52Å; H637-N640 WeakPolarHBondContact O-CA 3.33Å; H637-N640 WeakPolarHBondContact O-CB 3.33Å; H637-N640 PolarHBondContact O-N 2.93Å; H637-N640 VanDerWaalsContact O-N 3.1Å; H637-G641 PolarHBondContact O-N 3.29Å; H637-S642 CarbonylContact C-O 3.16Å; H637-S642 PolarHBondContact O-N 2.9Å; H637-M644 HydrophobicContact CB-CB 4.2Å
638	K	72.6	Confident	73.7	Confident	89 Å²	89	52 Å²	52	39%	0.387	30%	0.304	S	S	.	.	H	α-helix	trans	-74.5	-31.5	-177.1	-168.7	159.5	-175.8	157.3	0	113.6	R635 E636 N640 G641 S642	R635-K638 CarbonylContact O-C 2.98Å; R635-K638 WeakPolarHBondContact O-CA 3.24Å; R635-K638 PolarHBondContact O-N 2.05Å; E636-K638 VanDerWaalsContact C-N 3.29Å; E636-K638 PolarHBondContact O-N 3.16Å; K638-N640 PolarHBondContact O-N 2.77Å; K638-G641 PolarHBondContact O-N 3.18Å; K638-S642 VanDerWaalsContact CA-O 3.26Å; K638-S642 WeakPolarHBondContact CA-O 3.48Å; K638-S642 PolarHBondContact N-O 3.06Å; K638-S642 VanDerWaalsContact N-O 3.16Å
639	S	66.1	Low	73.9	Confident	95 Å²	95	52.8 Å²	52.8	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-65.3	-30.1	165.9	45.8	0	0	0	0	111.7	R635 E636 G641	R635-S639 PolarHBondContact O-N 2.89Å; R635-S639 PolarHBondContact O-OG 2.84Å; E636-S639 WeakPolarHBondContact CA-OG 3.23Å; E636-S639 PolarHBondContact O-OG 3.28Å; S639-G641 PolarHBondContact O-N 2.91Å
640	N	72.3	Confident	73.6	Confident	112 Å²	112	55.2 Å²	55.2	60%	0.599	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	25.1	175.5	-55.8	-4.6	0	0	0	112.1	E636 H637 K638 S642	E636-N640 PolarHBondContact O-N 3.39Å; E636-N640 PolarHBondContact O-ND2 2.59Å; E636-N640 PolarHBondContact O-OD1 3.04Å; H637-N640 CarbonylContact O-C 3.52Å; H637-N640 WeakPolarHBondContact O-CA 3.33Å; H637-N640 WeakPolarHBondContact O-CB 3.33Å; H637-N640 PolarHBondContact O-N 2.93Å; H637-N640 VanDerWaalsContact O-N 3.1Å; K638-N640 PolarHBondContact O-N 2.77Å; N640-S642 PolarHBondContact O-N 3.29Å; N640-S642 VanDerWaalsContact O-N 3.14Å
641	G	69.8	Low	73.5	Confident	75 Å²	75	59.5 Å²	59.5	77%	0.773	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	1.7	174.8	0	0	0	0	0	116.6	H637 K638 S639	H637-G641 PolarHBondContact O-N 3.29Å; K638-G641 PolarHBondContact O-N 3.18Å; S639-G641 PolarHBondContact O-N 2.91Å
642	S	71.6	Confident	72.7	Confident	41 Å²	41	61.2 Å²	61.2	29%	0.287	34%	0.341	S	S	.	.			trans	-113.1	139.7	-172.4	-62.7	0	0	0	0	112.5	H637 K638 N640	H637-S642 CarbonylContact C-O 3.16Å; H637-S642 PolarHBondContact O-N 2.9Å; K638-S642 VanDerWaalsContact CA-O 3.26Å; K638-S642 WeakPolarHBondContact CA-O 3.48Å; K638-S642 PolarHBondContact N-O 3.06Å; K638-S642 VanDerWaalsContact N-O 3.16Å; N640-S642 PolarHBondContact O-N 3.29Å; N640-S642 VanDerWaalsContact O-N 3.14Å
643	V	73.8	Confident	71.6	Confident	50 Å²	50	65.3 Å²	65.3	30%	0.303	37%	0.365	S	S	.	.			trans	-88.2	113.3	170.8	178.8	0	0	0	0	108.9	L557 T558 H617 Q645	L557-V643 HydrophobicContact CB-CG1 3.96Å; L557-V643 VanDerWaalsContact O-CG1 3.24Å; L557-V643 WeakPolarHBondContact O-CG1 3.5Å; T558-V643 HydrophobicContact CG2-CG1 3.91Å; H617-V643 PolarHBondContact NE2-O 2.8Å; V643-Q645 WeakPolarHBondContact O-CG 3.23Å; V643-Q645 PolarHBondContact O-N 3.44Å
644	M	78	Confident	70.1	Confident	3 Å²	3	66.4 Å²	66.4	2%	0.015	37%	0.371	C	S	.	.			trans	-48.6	123.3	175.2	178.3	-171	178.5	0	0	111	L557 V613 C615 L630 A634 H637	L557-M644 HydrophobicContact CD1-CB 4.35Å; L557-M644 WeakPolarHBondContact CD1-O 3.47Å; V613-M644 HydrophobicContact CG1-CE 3.6Å; C615-M644 HydrophobicContact CB-CE 4.06Å; L630-M644 HydrophobicContact CD1-CE 3.82Å; L630-M644 HydrophobicContact CD1-SD 4.3Å; A634-M644 HydrophobicContact CB-CB 4.45Å; A634-M644 HydrophobicContact CB-SD 3.76Å; H637-M644 HydrophobicContact CB-CB 4.2Å
645	Q	75.6	Confident	68.2	Low	102 Å²	102	69.2 Å²	69.2	48%	0.477	39%	0.39	S	S	.	.			trans	-110.8	136.3	170.8	-45	-179.7	-4.2	0	0	109.8	T616 V643	T616-Q645 HydrophobicContact CG2-CB 4.09Å; T616-Q645 PolarHBondContact N-O 3.5Å; T616-Q645 WeakPolarHBondContact OG1-CB 3.42Å; T616-Q645 PolarHBondContact OG1-O 2.86Å; V643-Q645 WeakPolarHBondContact O-CG 3.23Å; V643-Q645 PolarHBondContact O-N 3.44Å
646	C	78.6	Confident	66.7	Low	4 Å²	4	75.7 Å²	75.7	3%	0.027	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.7	-179.5	175.1	0	0	0	0	109.9	A550 L553 N554 V613 G614 Q648	A550-C646 HydrophobicContact CB-CB 4.42Å; L553-C646 HydrophobicContact CD2-CB 4.05Å; N554-C646 PolarHBondContact ND2-O 3.24Å; N554-C646 VanDerWaalsContact OD1-CB 3.32Å; N554-C646 WeakPolarHBondContact OD1-CB 3.33Å; N554-C646 PolarHBondContact OD1-N 3.36Å; V613-C646 HydrophobicContact CG1-CB 4.26Å; G614-C646 CarbonylContact O-C 3.21Å; G614-C646 VanDerWaalsContact O-CA 3.3Å; G614-C646 WeakPolarHBondContact O-CA 3.39Å; C646-Q648 VanDerWaalsContact SG-C 3.5Å; C646-Q648 PolarHBondContact SG-O 3.01Å
647	T	74.6	Confident	65.1	Low	101 Å²	101	79.1 Å²	79.1	62%	0.62	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	-34.6	170.4	43.7	0	0	0	0	112.5	G614 T616	G614-T647 PolarHBondContact O-N 3.43Å; G614-T647 PolarHBondContact O-OG1 2.83Å; T616-T647 HydrophobicContact CG2-CG2 3.67Å
648	Q	66.1	Low	63.6	Low	94 Å²	94	84.4 Å²	84.4	44%	0.439	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	131.6	-174.2	-174.1	169.1	24.8	0	0	110	V613 G614 C646 H650	V613-Q648 CarbonylContact C-O 3.56Å; V613-Q648 WeakPolarHBondContact CA-O 3.13Å; G614-Q648 PolarHBondContact N-O 2.85Å; C646-Q648 VanDerWaalsContact SG-C 3.5Å; C646-Q648 PolarHBondContact SG-O 3.01Å; Q648-H650 PolarHBondContact NE2-CE1 3.21Å; Q648-H650 PolarHBondContact NE2-NE2 2.87Å
649	L	74.9	Confident	62.1	Low	32 Å²	32	84.7 Å²	84.7	17%	0.168	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.1	179.4	176.5	61.6	0	0	0	109.1	A549 A550 L553 I611 E612 V613 L651	A549-L649 HydrophobicContact CB-CD2 3.96Å; A549-L649 HydrophobicContact CB-CG 4.47Å; A549-L649 WeakPolarHBondContact O-CD2 3.4Å; A550-L649 HydrophobicContact CB-CB 4.18Å; L553-L649 HydrophobicContact CB-CD2 4.27Å; L553-L649 HydrophobicContact CD2-CD2 4.04Å; I611-L649 HydrophobicContact CG2-CD1 3.57Å; E612-L649 WeakPolarHBondContact O-CA 3.4Å; V613-L649 HydrophobicContact CG2-CD1 3.75Å; L649-L651 HydrophobicContact CD1-CD1 4.02Å; L649-L651 HydrophobicContact CD2-CD1 4.2Å; L649-L651 HydrophobicContact CG-CD1 3.8Å
650	H	67	Low	60.6	Low	77 Å²	77	88.3 Å²	88.3	36%	0.356	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142.8	169.1	-54.2	154	0	0	0	110.5	I611 E612 Q648	I611-H650 CarbonylContact C-O 3.18Å; I611-H650 WeakPolarHBondContact CA-O 3.07Å; E612-H650 HydrophobicContact CB-CB 4.18Å; E612-H650 PolarHBondContact N-O 3.16Å; E612-H650 PolarHBondContact O-N 3.09Å; E612-H650 IonicContact OE2-CG 3.66Å; E612-H650 IonicContact OE2-ND1 3.81Å; E612-H650 PolarHBondContact OE2-ND1 2.85Å; E612-H650 VanDerWaalsContact OE2-ND1 3.1Å; Q648-H650 PolarHBondContact NE2-CE1 3.21Å; Q648-H650 PolarHBondContact NE2-NE2 2.87Å
651	L	74.1	Confident	58.4	Low	105 Å²	105	88 Å²	88	55%	0.55	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.3	171.5	-69	90.4	0	0	0	108	V609 I611 L649	V609-L651 HydrophobicContact CG1-CB 3.81Å; V609-L651 HydrophobicContact CG1-CD2 4.16Å; V609-L651 HydrophobicContact CG1-CG 4.28Å; I611-L651 HydrophobicContact CG1-CD2 4.48Å; I611-L651 HydrophobicContact CG1-CG 4.44Å; I611-L651 HydrophobicContact CG2-CG 4.29Å; L649-L651 HydrophobicContact CD1-CD1 4.02Å; L649-L651 HydrophobicContact CD2-CD1 4.2Å; L649-L651 HydrophobicContact CG-CD1 3.8Å
652	K	57.2	Low	56.4	Low	94 Å²	94	89.5 Å²	89.5	41%	0.409	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.9	177.7	-66.9	171	-177.8	166.7	0	109.2	Q610 E612	Q610-K652 HydrophobicContact CB-CB 4.27Å; Q610-K652 PolarHBondContact N-O 3.49Å; Q610-K652 PolarHBondContact O-N 3.46Å; E612-K652 WeakPolarHBondContact OE1-CE 3.2Å; E612-K652 IonicContact OE1-NZ 2.61Å; E612-K652 PolarHBondContact OE1-NZ 2.77Å; E612-K652 VanDerWaalsContact OE2-CE 3.31Å; E612-K652 WeakPolarHBondContact OE2-CE 3.42Å; E612-K652 IonicContact OE2-NZ 3.4Å; E612-K652 PolarHBondContact OE2-NZ 3.39Å
653	P	48	Very low	54.3	Low	116 Å²	116	95.9 Å²	95.9	75%	0.753	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	133.5	169.2	29.2	-32.8	0	0	0	109.1
654	I	47.8	Very low	52	Low	35 Å²	35	98.1 Å²	98.1	18%	0.179	52%	0.517	C	S	.	.	P	Polyproline II helix	trans	-85.7	131.1	-176.3	-56.7	171.7	0	0	0	109	S608 Q610 F625 Q658 M659	S608-I654 PolarHBondContact O-N 2.84Å; Q610-I654 HydrophobicContact CB-CD1 4.14Å; Q610-I654 HydrophobicContact CB-CG1 3.86Å; F625-I654 HydrophobicContact CD1-CD1 4.11Å; I654-Q658 HydrophobicContact CG2-CB 4.16Å; I654-M659 HydrophobicContact CB-CE 3.78Å; I654-M659 HydrophobicContact CD1-CE 4.49Å; I654-M659 HydrophobicContact CG2-CE 3.81Å; I654-M659 HydrophobicContact CG2-CG 3.94Å
655	S	38.7	Very low	49.5	Very low	67 Å²	67	103.3 Å²	103.3	47%	0.469	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-74	148.6	172.7	59.5	0	0	0	0	111.4	E657 Q658	S655-E657 PolarHBondContact O-N 3.08Å; S655-Q658 PolarHBondContact O-N 3.05Å; S655-Q658 VanDerWaalsContact O-N 3.1Å
656	E	43.2	Very low	47.1	Very low	177 Å²	177	108.1 Å²	108.1	83%	0.827	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-57.6	-28	-174.7	-64.5	-165.2	124	0	0	113.3	Q658 M659	E656-Q658 PolarHBondContact O-N 3.1Å; E656-M659 PolarHBondContact O-N 3.3Å
657	E	40.3	Very low	44.6	Very low	177 Å²	177	113.5 Å²	113.5	83%	0.827	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-72	-25.7	-178.2	-61.4	-177.9	-148.8	0	0	113.5	S655	S655-E657 PolarHBondContact O-N 3.08Å
658	Q	44.9	Very low	42.2	Very low	127 Å²	127	113.6 Å²	113.6	59%	0.593	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-85.4	-8.3	178.5	-72.8	-174.6	-24.6	0	0	113.9	I654 S655 E656 F660	I654-Q658 HydrophobicContact CG2-CB 4.16Å; S655-Q658 PolarHBondContact O-N 3.05Å; S655-Q658 VanDerWaalsContact O-N 3.1Å; E656-Q658 PolarHBondContact O-N 3.1Å; Q658-F660 VanDerWaalsContact C-N 3.29Å; Q658-F660 PolarHBondContact O-N 3.28Å
659	M	41.8	Very low	40.3	Very low	94 Å²	94	116.2 Å²	116.2	46%	0.463	64%	0.641	S	S	.	*	G	3₁₀ helix	trans	-79.8	-6.6	178	-63.1	-164.5	-177.7	0	0	114.1	I654 E656	I654-M659 HydrophobicContact CB-CE 3.78Å; I654-M659 HydrophobicContact CD1-CE 4.49Å; I654-M659 HydrophobicContact CG2-CE 3.81Å; I654-M659 HydrophobicContact CG2-CG 3.94Å; E656-M659 PolarHBondContact O-N 3.3Å
660	F	33.9	Very low	38	Very low	172 Å²	172	121.9 Å²	121.9	75%	0.754	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-141.2	58.7	-177.9	-68	-72.6	0	0	0	113.9	Q658 P662	Q658-F660 VanDerWaalsContact C-N 3.29Å; Q658-F660 PolarHBondContact O-N 3.28Å; F660-P662 WeakPolarHBondContact O-CD 3.44Å
661	V	26.5	Very low	36	Very low	106 Å²	106	121.6 Å²	121.6	64%	0.642	70%	0.695	S	S	*	*			trans	-94.3	113.4	164.7	-179.5	0	0	0	0	109.7	L663	V661-L663 PolarHBondContact O-N 2.73Å
662	P	27.8	Very low	34.4	Very low	106 Å²	106	122.1 Å²	122.1	69%	0.688	71%	0.705	S	S	*	*			trans	-78.4	113.6	166.8	-3.2	22	0	0	0	108.9	F660 S664	F660-P662 WeakPolarHBondContact O-CD 3.44Å; P662-S664 PolarHBondContact O-N 2.8Å
663	L	26.9	Very low	32.9	Very low	174 Å²	174	128.2 Å²	128.2	91%	0.911	73%	0.727	S	S	*	*			trans	-72.4	120	163.6	-75.8	169.4	0	0	0	108.8	V661	V661-L663 PolarHBondContact O-N 2.73Å
664	S	25.2	Very low	32.5	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	73%	0.726	S	S	*	*			trans	-125.9	128.7	174.9	-71.2	0	0	0	0	110	P662	P662-S664 PolarHBondContact O-N 2.8Å
665	S	26.3	Very low	31.5	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	75%	0.752	S	S	*	*			trans	48.8	104	154.7	59.4	0	0	0	0	119.1
666	E	24.6	Very low	30.9	Very low	203 Å²	203	133.7 Å²	133.7	95%	0.949	76%	0.764	S	S	*	*				-114.8	161.3	129	-76.5	-167.7	123.9	0	0	108.9
667	S	26.1	Very low	30	Very low	117 Å²	117	134.4 Å²	134.4	82%	0.818	77%	0.765	S	S	*	*			trans	-139.6	141.4	-171.3	61.6	0	0	0	0	112.8
668	A	25.7	Very low	29.3	Very low	102 Å²	102	132.1 Å²	132.1	84%	0.843	76%	0.762	S	S	*	*			trans	-138.2	147.2	165.4	0	0	0	0	0	110.2
669	N	25.9	Very low	28.3	Very low	150 Å²	150	131.3 Å²	131.3	80%	0.802	77%	0.77	S	S	*	*			trans	-101.7	147.1	-170.8	-67.1	-54.9	0	0	0	113
670	T	26.6	Very low	28.2	Very low	150 Å²	150	132.2 Å²	132.2	92%	0.92	78%	0.784	S	S	*	*				173.5	157.7	120.6	30.4	0	0	0	0	111.9
671	G	25.4	Very low	27.8	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	79%	0.788	S	S	*	*			trans	-116.6	-153.2	176.1	0	0	0	0	0	112.1
672	P	40	Very low	27.8	Very low	116 Å²	116	131.4 Å²	131.4	75%	0.753	80%	0.797	S	S	*	*			cis	-135.8	173.2	1.8	40.8	-22.5	0	0	0	117.1
673	Y	25.6	Very low	27.8	Very low	223 Å²	223	134.6 Å²	134.6	88%	0.875	80%	0.803	S	S	*	*			trans	12.8	162.5	150.3	-64.8	-62.9	0	0	0	124.3
674	P	38.4	Very low	28.2	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	79%	0.794	S	S	*	*			cis	-142.2	170	-19.3	36.8	-16.9	0	0	0	118.3
675	S	27.2	Very low	28.2	Very low	104 Å²	104	133 Å²	133	73%	0.727	80%	0.798	S	S	*	*			trans	64.5	136.3	144.9	-165.7	0	0	0	0	123.7
676	T	25.7	Very low	28.1	Very low	116 Å²	116	135.2 Å²	135.2	71%	0.712	80%	0.798	S	S	*	*				144	126.9	123.2	-57.9	0	0	0	0	113.6
677	F	25.5	Very low	28.5	Very low	192 Å²	192	131.4 Å²	131.4	84%	0.842	79%	0.791	S	S	*	*			trans	0.3	149.2	163.3	-60.6	-100.5	0	0	0	120.5
678	V	25.3	Very low	28.6	Very low	129 Å²	129	133.2 Å²	133.2	78%	0.782	79%	0.791	S	S	*	*				-162.4	161.3	65.6	162.7	0	0	0	0	111.8
679	S	24.1	Very low	28.7	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	79%	0.79	S	S	*	*			trans	-130.4	157.9	163.1	-52	0	0	0	0	109.8
680	P	39.3	Very low	29.3	Very low	114 Å²	114	136.6 Å²	136.6	74%	0.74	79%	0.787	S	S	*	*				-153	155.3	95.1	37.4	-18.7	0	0	0	118.1
681	V	25.3	Very low	29.6	Very low	141 Å²	141	137.1 Å²	137.1	86%	0.855	78%	0.784	S	S	*	*			trans	54.8	110.9	142.2	179.7	0	0	0	0	120.2
682	S	27.1	Very low	30	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	78%	0.777	S	S	*	*				-163.5	116.4	111.4	59.1	0	0	0	0	111.5
683	E	27.1	Very low	30.2	Very low	174 Å²	174	136 Å²	136	81%	0.813	77%	0.772	S	S	*	*			trans	-110.7	161.1	167.1	-131.6	-159.7	-118.1	0	0	108
684	P	35.2	Very low	31.1	Very low	111 Å²	111	132.5 Å²	132.5	72%	0.721	77%	0.767	S	S	*	*				-149	-177	66.2	34.5	-11.6	0	0	0	117.1
685	V	26.6	Very low	31.3	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	77%	0.772	S	S	*	*			trans	102.9	118.6	157.8	-171.5	0	0	0	0	116.6
686	M	23.2	Very low	32.2	Very low	159 Å²	159	136 Å²	136	78%	0.783	75%	0.754	S	S	*	*			trans	-64.9	139.5	-177.4	-61.1	174.8	-76.1	0	0	114.9
687	P	32.9	Very low	33.6	Very low	124 Å²	124	139.6 Å²	139.6	81%	0.805	76%	0.755	S	S	*	*			trans	-73.5	129.9	151.8	-12.8	29.3	0	0	0	111	Y689	P687-Y689 PolarHBondContact O-N 2.99Å
688	L	29.1	Very low	35.6	Very low	154 Å²	154	133.6 Å²	133.6	81%	0.806	73%	0.728	S	S	*	*			trans	-79.3	86.3	178.2	-79.1	172.7	0	0	0	112.9
689	Y	27.9	Very low	38	Very low	209 Å²	209	132.4 Å²	132.4	82%	0.82	71%	0.71	S	S	*	*	S	Bend	trans	66.6	159	164	-78.9	-92.1	0	0	0	115.9	P687	P687-Y689 PolarHBondContact O-N 2.99Å
690	P	38.3	Very low	40.6	Very low	114 Å²	114	127.2 Å²	127.2	74%	0.74	67%	0.674	S	S	*	*			trans	-103	140	-141	5.6	14.5	0	0	0	114.3	G692	P690-G692 PolarHBondContact O-N 3.08Å; P690-G692 VanDerWaalsContact O-N 3.08Å
691	D	33.1	Very low	42.4	Very low	161 Å²	161	125 Å²	125	86%	0.861	66%	0.655	S	S	*	*			trans	-74.8	94.5	155.9	-165.4	-8.1	0	0	0	109.2
692	G	33.7	Very low	45	Very low	57 Å²	57	119.9 Å²	119.9	59%	0.588	62%	0.622	S	S	*	*			trans	-122.7	78.8	-174.3	0	0	0	0	0	112.1	P690	P690-G692 PolarHBondContact O-N 3.08Å; P690-G692 VanDerWaalsContact O-N 3.08Å
693	V	42.6	Very low	47.5	Very low	108 Å²	108	116.4 Å²	116.4	66%	0.655	60%	0.597	S	S	*	*			trans	62.8	78.3	159.5	-167.9	0	0	0	0	115	R695	V693-R695 HydrophobicContact CG1-CB 3.49Å; V693-R695 VanDerWaalsContact CG1-CB 3.49Å; V693-R695 PolarHBondContact O-N 2.98Å
694	I	44.7	Very low	49.8	Very low	148 Å²	148	113.5 Å²	113.5	76%	0.759	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	48.1	156.7	-42.1	-174.3	0	0	0	111
695	R	44.3	Very low	51.9	Low	226 Å²	226	114.5 Å²	114.5	85%	0.853	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.8	3.9	161.5	-152.4	175.2	-174.1	-174.3	2.4	111.6	V693	V693-R695 HydrophobicContact CG1-CB 3.49Å; V693-R695 VanDerWaalsContact CG1-CB 3.49Å; V693-R695 PolarHBondContact O-N 2.98Å
696	N	44.8	Very low	54.4	Low	64 Å²	64	113.7 Å²	113.7	34%	0.342	57%	0.568	S	S	.	*			trans	-99.5	75.6	168.4	-71.3	123.5	0	0	0	112.2	F698 R699 Q706	N696-F698 PolarHBondContact O-N 3.27Å; N696-R699 HydrophobicContact CB-CB 4.37Å; N696-R699 PolarHBondContact O-N 3.24Å; N696-Q706 VanDerWaalsContact CG-NE2 3.35Å; N696-Q706 PolarHBondContact ND2-NE2 3.25Å; N696-Q706 PolarHBondContact OD1-NE2 2.92Å
697	R	55.8	Low	57.1	Low	193 Å²	193	108.2 Å²	108.2	73%	0.728	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-7.8	173.5	-71.6	-174.8	174.5	-178.4	-0.6	114.7
698	F	66.8	Low	59	Low	65 Å²	65	107.1 Å²	107.1	29%	0.285	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	20.7	-170.7	-47.9	-43.7	0	0	0	113.9	N696 L707 P708 Y710	N696-F698 PolarHBondContact O-N 3.27Å; F698-L707 WeakPolarHBondContact CB-O 3.44Å; F698-L707 WeakPolarHBondContact O-CB 3.33Å; F698-L707 PolarHBondContact O-N 3.34Å; F698-L707 VanDerWaalsContact O-N 3.14Å; F698-P708 WeakPolarHBondContact CD2-O 3.46Å; F698-P708 WeakPolarHBondContact CE2-O 3.35Å; F698-Y710 VanDerWaalsContact CD1-N 3.26Å; F698-Y710 VanDerWaalsContact CE1-N 3.32Å
699	R	75.4	Confident	61.2	Low	105 Å²	105	103.8 Å²	103.8	40%	0.396	52%	0.518	S	S	.	.	B	Isolated β-bridge	trans	-80.5	130.1	171.2	-174.2	178.7	-79.5	169.2	0.9	110.6	N696 L701 N704 K705 Q706	N696-R699 HydrophobicContact CB-CB 4.37Å; N696-R699 PolarHBondContact O-N 3.24Å; R699-L701 PolarHBondContact O-N 3.42Å; R699-N704 WeakPolarHBondContact CD-O 3.31Å; R699-N704 VanDerWaalsContact CG-O 3.31Å; R699-N704 WeakPolarHBondContact CG-O 3.4Å; R699-N704 PolarHBondContact NE-O 3.01Å; R699-K705 WeakPolarHBondContact CA-O 3.43Å; R699-Q706 HydrophobicContact CB-CG 4.43Å; R699-Q706 HydrophobicContact CG-CG 4.5Å
700	C	79.9	Confident	63.2	Low	0 Å²	0	98.3 Å²	98.3	0%	0	50%	0.496	C	S	.	.			trans	-72.1	122.9	170.6	174.9	0	0	0	0	110.6	E702 C703 N704 K705 L713 H716 Y717	C700-E702 PolarHBondContact O-N 2.92Å; C700-E702 VanDerWaalsContact O-N 3.12Å; C700-C703 VanDerWaalsContact SG-SG 3.63Å; C700-N704 WeakPolarHBondContact O-CA 3.42Å; C700-N704 PolarHBondContact O-N 2.74Å; C700-K705 PolarHBondContact N-O 3.35Å; C700-L713 HydrophobicContact CB-CD1 4Å; C700-H716 PolarHBondContact SG-NE2 3.09Å; C700-H716 VanDerWaalsContact SG-NE2 3.38Å; C700-Y717 PolarHBondContact SG-OH 3.4Å; C700-Y717 VanDerWaalsContact SG-OH 3.36Å
701	L	76	Confident	64.9	Low	68 Å²	68	101 Å²	101	36%	0.356	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	12	-175.3	-53.8	-174.8	0	0	0	114.8	R699 R747 P754	R699-L701 PolarHBondContact O-N 3.42Å; L701-R747 PolarHBondContact O-NH2 2.85Å; L701-P754 HydrophobicContact CD1-CB 4.31Å; L701-P754 HydrophobicContact CD1-CG 3.45Å; L701-P754 VanDerWaalsContact CD1-CG 3.45Å
702	E	80.5	Confident	67.1	Low	33 Å²	33	94.9 Å²	94.9	15%	0.154	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-21.3	-178.7	-65.8	-66.1	169.6	0	0	113.7	C700 C740 R743 T744 R747	C700-E702 PolarHBondContact O-N 2.92Å; C700-E702 VanDerWaalsContact O-N 3.12Å; E702-C740 HydrophobicContact CB-CB 3.78Å; E702-C740 HydrophobicContact CG-CB 4.32Å; E702-R743 HydrophobicContact CG-CB 4.04Å; E702-R743 PolarHBondContact O-NH1 3.42Å; E702-R743 VanDerWaalsContact OE1-CB 3.31Å; E702-R743 WeakPolarHBondContact OE1-CB 3.29Å; E702-R743 WeakPolarHBondContact OE2-CB 3.08Å; E702-R743 WeakPolarHBondContact OE2-CD 3.45Å; E702-T744 HydrophobicContact CG-CG2 3.62Å; E702-T744 PolarHBondContact OE1-N 3.46Å; E702-R747 IonicContact OE1-CZ 3.59Å; E702-R747 VanDerWaalsContact OE1-CZ 3.23Å; E702-R747 IonicContact OE1-NE 2.71Å; E702-R747 PolarHBondContact OE1-NE 2.98Å; E702-R747 IonicContact OE1-NH2 3.97Å; E702-R747 PolarHBondContact OE1-NH2 3.1Å
703	C	78.9	Confident	69.2	Low	46 Å²	46	92.4 Å²	92.4	31%	0.311	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133	5.9	176.5	66.7	0	0	0	0	113.2	C700 K705 H716	C700-C703 VanDerWaalsContact SG-SG 3.63Å; C703-K705 HydrophobicContact CB-CG 4.47Å; C703-K705 PolarHBondContact O-N 3.44Å; C703-H716 VanDerWaalsContact SG-CE1 3.55Å
704	N	76.7	Confident	70.8	Confident	112 Å²	112	88 Å²	88	60%	0.599	42%	0.416	S	S	*	.			trans	53.7	7.4	-179.4	-67.7	-29.9	0	0	0	116.9	R699 C700 Q706	R699-N704 WeakPolarHBondContact CD-O 3.31Å; R699-N704 VanDerWaalsContact CG-O 3.31Å; R699-N704 WeakPolarHBondContact CG-O 3.4Å; R699-N704 PolarHBondContact NE-O 3.01Å; C700-N704 WeakPolarHBondContact O-CA 3.42Å; C700-N704 PolarHBondContact O-N 2.74Å; N704-Q706 PolarHBondContact O-N 3.19Å
705	K	79.1	Confident	72.2	Confident	133 Å²	133	82.7 Å²	82.7	58%	0.578	40%	0.397	S	S	*	.			trans	-64.3	121.1	175.3	-64.6	-169.7	178.2	-166.2	0	110.3	R699 C700 C703	R699-K705 WeakPolarHBondContact CA-O 3.43Å; C700-K705 PolarHBondContact N-O 3.35Å; C703-K705 HydrophobicContact CB-CG 4.47Å; C703-K705 PolarHBondContact O-N 3.44Å
706	Q	78.9	Confident	73.9	Confident	108 Å²	108	73.8 Å²	73.8	51%	0.505	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-68.7	144.7	162.7	-72.8	161.3	-24.7	0	0	108.9	N696 R699 N704	N696-Q706 VanDerWaalsContact CG-NE2 3.35Å; N696-Q706 PolarHBondContact ND2-NE2 3.25Å; N696-Q706 PolarHBondContact OD1-NE2 2.92Å; R699-Q706 HydrophobicContact CB-CG 4.43Å; R699-Q706 HydrophobicContact CG-CG 4.5Å; N704-Q706 PolarHBondContact O-N 3.19Å
707	L	78.9	Confident	75.3	Confident	44 Å²	44	70.8 Å²	70.8	23%	0.23	35%	0.349	C	S	.	.			trans	-132	155.6	176.6	-61.6	167.1	0	0	0	107.7	F698 D709 A712 L713 H716	F698-L707 WeakPolarHBondContact CB-O 3.44Å; F698-L707 WeakPolarHBondContact O-CB 3.33Å; F698-L707 PolarHBondContact O-N 3.34Å; F698-L707 VanDerWaalsContact O-N 3.14Å; L707-D709 VanDerWaalsContact C-N 3.35Å; L707-D709 PolarHBondContact O-N 2.95Å; L707-A712 HydrophobicContact CB-CB 4.09Å; L707-L713 HydrophobicContact CD1-CB 4.14Å; L707-L713 HydrophobicContact CD1-CD1 3.83Å; L707-H716 HydrophobicContact CD1-CB 3.49Å; L707-H716 VanDerWaalsContact CD1-CB 3.49Å
708	P	72.7	Confident	76.2	Confident	101 Å²	101	65.8 Å²	65.8	66%	0.656	33%	0.334	S	S	*	.	S	Bend	trans	-71.2	-30.1	-175.2	26.9	-35	0	0	0	113.2	F698 A712	F698-P708 WeakPolarHBondContact CD2-O 3.46Å; F698-P708 WeakPolarHBondContact CE2-O 3.35Å; P708-A712 HydrophobicContact CG-CB 3.97Å
709	D	77.1	Confident	76.6	Confident	85 Å²	85	70.1 Å²	70.1	46%	0.455	35%	0.353	S	S	.	.			trans	-139.3	156.6	-165.2	-85.2	-62.4	0	0	0	113.3	L707 K711 A712 L713	L707-D709 VanDerWaalsContact C-N 3.35Å; L707-D709 PolarHBondContact O-N 2.95Å; D709-K711 VanDerWaalsContact C-N 3.26Å; D709-K711 HydrophobicContact CB-CB 4.29Å; D709-K711 PolarHBondContact O-N 3.04Å; D709-A712 HydrophobicContact CB-CB 3.93Å; D709-A712 CarbonylContact O-C 3.57Å; D709-A712 WeakPolarHBondContact O-CB 3.41Å; D709-A712 PolarHBondContact O-N 2.91Å; D709-A712 VanDerWaalsContact O-N 3.09Å; D709-L713 PolarHBondContact O-N 3.25Å
710	Y	68.5	Low	76	Confident	93 Å²	93	70.6 Å²	70.6	37%	0.365	36%	0.361	S	S	.	.	H	α-helix	trans	-56.3	-40.8	161.9	-177.3	-111.9	0	0	0	112.3	F698 A712 L713 A714 C760 A762	F698-Y710 VanDerWaalsContact CD1-N 3.26Å; F698-Y710 VanDerWaalsContact CE1-N 3.32Å; Y710-A712 VanDerWaalsContact C-N 3.3Å; Y710-A712 PolarHBondContact O-N 3.17Å; Y710-L713 PolarHBondContact O-N 2.9Å; Y710-A714 WeakPolarHBondContact O-CB 3.03Å; Y710-A714 PolarHBondContact O-N 3.39Å; Y710-C760 VanDerWaalsContact CZ-O 3.23Å; Y710-C760 PolarHBondContact OH-O 2.88Å; Y710-A762 HydrophobicContact CE2-CB 4.49Å; Y710-A762 WeakPolarHBondContact OH-CB 3.14Å; Y710-A762 PolarHBondContact OH-N 3.26Å
711	K	75.6	Confident	75.4	Confident	172 Å²	172	72 Å²	72	75%	0.748	37%	0.37	S	S	*	.	H	α-helix	trans	-63.3	-36.2	175	-65.7	170.2	-175.4	164.4	0	111.7	D709 G715	D709-K711 VanDerWaalsContact C-N 3.26Å; D709-K711 HydrophobicContact CB-CB 4.29Å; D709-K711 PolarHBondContact O-N 3.04Å; K711-G715 PolarHBondContact O-N 2.74Å
712	A	77.9	Confident	74.5	Confident	31 Å²	31	77.4 Å²	77.4	26%	0.256	39%	0.394	S	S	.	.	H	α-helix	trans	-72.1	-35.6	174.6	0	0	0	0	0	112.1	L707 P708 D709 Y710 G715 H716	L707-A712 HydrophobicContact CB-CB 4.09Å; P708-A712 HydrophobicContact CG-CB 3.97Å; D709-A712 HydrophobicContact CB-CB 3.93Å; D709-A712 CarbonylContact O-C 3.57Å; D709-A712 WeakPolarHBondContact O-CB 3.41Å; D709-A712 PolarHBondContact O-N 2.91Å; D709-A712 VanDerWaalsContact O-N 3.09Å; Y710-A712 VanDerWaalsContact C-N 3.3Å; Y710-A712 PolarHBondContact O-N 3.17Å; A712-G715 CarbonylContact O-C 3.42Å; A712-G715 PolarHBondContact O-N 3.13Å; A712-H716 WeakPolarHBondContact O-CB 3.46Å; A712-H716 PolarHBondContact O-N 2.87Å
713	L	78.6	Confident	73.5	Confident	6 Å²	6	80.2 Å²	80.2	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-66.7	-41.9	172.5	-175.9	64.5	0	0	0	112.2	C700 L707 D709 Y710 H716 Y717 G761	C700-L713 HydrophobicContact CB-CD1 4Å; L707-L713 HydrophobicContact CD1-CB 4.14Å; L707-L713 HydrophobicContact CD1-CD1 3.83Å; D709-L713 PolarHBondContact O-N 3.25Å; Y710-L713 PolarHBondContact O-N 2.9Å; L713-H716 WeakPolarHBondContact O-CB 3.47Å; L713-H716 PolarHBondContact O-N 3.08Å; L713-Y717 HydrophobicContact CD1-CD2 4.21Å; L713-Y717 HydrophobicContact CD1-CE2 3.55Å; L713-Y717 HydrophobicContact CD2-CE2 4.44Å; L713-Y717 HydrophobicContact CG-CD2 4.23Å; L713-Y717 HydrophobicContact CG-CE2 3.78Å; L713-Y717 VanDerWaalsContact O-CD2 3.23Å; L713-Y717 WeakPolarHBondContact O-CD2 3.46Å; L713-Y717 PolarHBondContact O-N 2.74Å; L713-Y717 VanDerWaalsContact O-N 3.15Å; L713-G761 WeakPolarHBondContact CD2-O 3.43Å
714	A	75	Confident	72.6	Confident	16 Å²	16	79.9 Å²	79.9	13%	0.132	41%	0.407	C	S	.	.	H	α-helix	trans	-58.5	-48.3	169.8	0	0	0	0	0	111.2	Y710 H716 Y717 Q718 C760	Y710-A714 WeakPolarHBondContact O-CB 3.03Å; Y710-A714 PolarHBondContact O-N 3.39Å; A714-H716 VanDerWaalsContact C-N 3.31Å; A714-H716 PolarHBondContact O-N 3.36Å; A714-Y717 PolarHBondContact O-N 3.25Å; A714-Q718 WeakPolarHBondContact O-CB 3.37Å; A714-Q718 VanDerWaalsContact O-CG 3.28Å; A714-Q718 WeakPolarHBondContact O-CG 3.28Å; A714-Q718 PolarHBondContact O-N 3.12Å; A714-C760 WeakPolarHBondContact CB-O 3.2Å
715	G	74	Confident	71.5	Confident	35 Å²	35	81.2 Å²	81.2	36%	0.361	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-36.3	176	0	0	0	0	0	113.2	K711 A712 Q718 K719	K711-G715 PolarHBondContact O-N 2.74Å; A712-G715 CarbonylContact O-C 3.42Å; A712-G715 PolarHBondContact O-N 3.13Å; G715-Q718 PolarHBondContact O-N 3.31Å; G715-K719 WeakPolarHBondContact O-CB 3.37Å; G715-K719 PolarHBondContact O-N 2.97Å
716	H	81.1	Confident	70.6	Confident	40 Å²	40	78 Å²	78	19%	0.185	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-48.9	175.4	171.9	83.5	0	0	0	111.7	C700 C703 L707 A712 L713 A714 Q718 N738	C700-H716 PolarHBondContact SG-NE2 3.09Å; C700-H716 VanDerWaalsContact SG-NE2 3.38Å; C703-H716 VanDerWaalsContact SG-CE1 3.55Å; L707-H716 HydrophobicContact CD1-CB 3.49Å; L707-H716 VanDerWaalsContact CD1-CB 3.49Å; A712-H716 WeakPolarHBondContact O-CB 3.46Å; A712-H716 PolarHBondContact O-N 2.87Å; L713-H716 WeakPolarHBondContact O-CB 3.47Å; L713-H716 PolarHBondContact O-N 3.08Å; A714-H716 VanDerWaalsContact C-N 3.31Å; A714-H716 PolarHBondContact O-N 3.36Å; H716-Q718 VanDerWaalsContact C-N 3.28Å; H716-Q718 PolarHBondContact O-N 2.73Å; H716-N738 PolarHBondContact O-ND2 3.48Å
717	Y	74.2	Confident	70.3	Confident	1 Å²	1	73.4 Å²	73.4	0%	0.004	39%	0.393	C	S	.	.	H	α-helix	trans	-70.5	-23.1	176.4	-65.9	-62.7	0	0	0	113.4	C700 L713 A714 C740 S741 T744 P758	C700-Y717 PolarHBondContact SG-OH 3.4Å; C700-Y717 VanDerWaalsContact SG-OH 3.36Å; L713-Y717 HydrophobicContact CD1-CD2 4.21Å; L713-Y717 HydrophobicContact CD1-CE2 3.55Å; L713-Y717 HydrophobicContact CD2-CE2 4.44Å; L713-Y717 HydrophobicContact CG-CD2 4.23Å; L713-Y717 HydrophobicContact CG-CE2 3.78Å; L713-Y717 VanDerWaalsContact O-CD2 3.23Å; L713-Y717 WeakPolarHBondContact O-CD2 3.46Å; L713-Y717 PolarHBondContact O-N 2.74Å; L713-Y717 VanDerWaalsContact O-N 3.15Å; A714-Y717 PolarHBondContact O-N 3.25Å; Y717-C740 HydrophobicContact CD1-CB 4.12Å; Y717-C740 HydrophobicContact CE1-CB 3.99Å; Y717-S741 WeakPolarHBondContact O-CB 3.39Å; Y717-T744 HydrophobicContact CE1-CG2 3.84Å; Y717-P758 WeakPolarHBondContact CB-O 3.37Å
718	Q	73.6	Confident	70	Confident	88 Å²	88	74.2 Å²	74.2	41%	0.411	40%	0.397	S	S	.	.	H	α-helix	trans	-88.5	-19.3	177.5	-69.4	179.9	15.6	0	0	114.4	A714 G715 H716 M720 P737 E759	A714-Q718 WeakPolarHBondContact O-CB 3.37Å; A714-Q718 VanDerWaalsContact O-CG 3.28Å; A714-Q718 WeakPolarHBondContact O-CG 3.28Å; A714-Q718 PolarHBondContact O-N 3.12Å; G715-Q718 PolarHBondContact O-N 3.31Å; H716-Q718 VanDerWaalsContact C-N 3.28Å; H716-Q718 PolarHBondContact O-N 2.73Å; Q718-M720 PolarHBondContact O-N 2.76Å; Q718-P737 WeakPolarHBondContact O-CB 3.14Å; Q718-E759 PolarHBondContact NE2-O 2.66Å
719	K	75.3	Confident	70.3	Confident	156 Å²	156	69.6 Å²	69.6	68%	0.678	37%	0.367	S	S	*	.	S	Bend	trans	-66	125.9	178.5	178.2	171.6	-179.4	-179.6	0	110.3	G715 N738	G715-K719 WeakPolarHBondContact O-CB 3.37Å; G715-K719 PolarHBondContact O-N 2.97Å; K719-N738 PolarHBondContact O-ND2 2.87Å
720	M	63.2	Low	70.1	Confident	114 Å²	114	75.7 Å²	75.7	56%	0.562	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-62.8	138.4	171.2	67.2	83.4	87.8	0	0	110.8	Q718 P737	Q718-M720 PolarHBondContact O-N 2.76Å; M720-P737 CarbonylContact C-O 3.53Å; M720-P737 WeakPolarHBondContact CA-O 3.49Å
721	S	67.1	Low	70.3	Confident	29 Å²	29	76.5 Å²	76.5	20%	0.203	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-91.1	152.6	157.2	47.6	0	0	0	0	109.3	D723 V724 P737 N738	S721-D723 PolarHBondContact O-N 2.79Å; S721-D723 PolarHBondContact OG-O 2.89Å; S721-V724 WeakPolarHBondContact O-CG2 3.42Å; S721-P737 PolarHBondContact N-O 3.48Å; S721-P737 PolarHBondContact OG-O 2.83Å; S721-N738 WeakPolarHBondContact OG-CA 3.48Å
722	E	57.8	Low	70.1	Confident	183 Å²	183	69.6 Å²	69.6	86%	0.855	38%	0.377	S	S	*	.	S	Bend	trans	-60	-33	172.7	-74.5	137	-155	0	0	111.5	V724	E722-V724 PolarHBondContact O-N 3.37Å
723	D	58.4	Low	69.7	Low	91 Å²	91	71.6 Å²	71.6	49%	0.487	39%	0.389	S	S	.	.			trans	-70	62.4	167.6	-54.9	-35.6	0	0	0	113.1	S721 L727 K739	S721-D723 PolarHBondContact O-N 2.79Å; S721-D723 PolarHBondContact OG-O 2.89Å; D723-L727 WeakPolarHBondContact O-CD1 3.25Å; D723-K739 WeakPolarHBondContact OD2-CE 3.43Å; D723-K739 IonicContact OD2-NZ 3.99Å; D723-K739 PolarHBondContact OD2-NZ 2.79Å
724	V	60.5	Low	69.3	Low	39 Å²	39	71.4 Å²	71.4	24%	0.236	39%	0.388	C	S	.	.			trans	-78	-27.6	173.8	-170.4	0	0	0	0	111.6	S721 E722 G726 L727 L735	S721-V724 WeakPolarHBondContact O-CG2 3.42Å; E722-V724 PolarHBondContact O-N 3.37Å; V724-G726 PolarHBondContact O-N 2.95Å; V724-L727 PolarHBondContact O-N 3.39Å; V724-L735 HydrophobicContact CG1-CD1 4.11Å; V724-L735 HydrophobicContact CG1-CD2 4.08Å; V724-L735 HydrophobicContact CG1-CG 4.42Å
725	E	53.2	Low	69.2	Low	140 Å²	140	71 Å²	71	65%	0.654	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	128	-177.7	-62.8	-167.1	144.7	0	0	111.4	N871	E725-N871 VanDerWaalsContact OE1-CB 3.26Å; E725-N871 WeakPolarHBondContact OE1-CB 3.47Å; E725-N871 PolarHBondContact OE1-ND2 3.19Å
726	G	60.5	Low	69.3	Low	66 Å²	66	69.3 Å²	69.3	68%	0.68	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.9	-11.3	-178.9	0	0	0	0	0	116.3	V724 I728	V724-G726 PolarHBondContact O-N 2.95Å; G726-I728 PolarHBondContact O-N 3.15Å
727	L	72.4	Confident	68.9	Low	12 Å²	12	68 Å²	68	6%	0.063	36%	0.362	C	S	.	.			trans	-80.3	39.1	-178.2	-58.6	-176.4	0	0	0	114.5	D723 V724 L736 N738 K739 F742	D723-L727 WeakPolarHBondContact O-CD1 3.25Å; V724-L727 PolarHBondContact O-N 3.39Å; L727-L736 WeakPolarHBondContact CB-O 3.24Å; L727-L736 WeakPolarHBondContact CD1-O 3.47Å; L727-L736 PolarHBondContact O-N 3.32Å; L727-N738 VanDerWaalsContact CD1-C 3.48Å; L727-K739 HydrophobicContact CD1-CG 4.43Å; L727-K739 HydrophobicContact CD2-CG 3.94Å; L727-F742 HydrophobicContact CB-CD2 4.37Å; L727-F742 HydrophobicContact CD2-CB 4.04Å; L727-F742 HydrophobicContact CD2-CD1 4.5Å; L727-F742 HydrophobicContact CD2-CD2 4.4Å; L727-F742 HydrophobicContact CD2-CG 4.07Å
728	I	72.9	Confident	69.1	Low	60 Å²	60	68.7 Å²	68.7	31%	0.308	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-103.4	123.3	176.8	-59.1	172.2	0	0	0	109	G726 K730 M734 L735	G726-I728 PolarHBondContact O-N 3.15Å; I728-K730 PolarHBondContact O-N 3.09Å; I728-M734 WeakPolarHBondContact CA-O 3.25Å; I728-L735 HydrophobicContact CD1-CD1 4.43Å; I728-L735 HydrophobicContact CG1-CD1 3.58Å
729	C	79.3	Confident	69.5	Low	5 Å²	5	69.4 Å²	69.4	3%	0.034	37%	0.367	C	S	.	.			trans	-69.1	119.9	174.8	-178	0	0	0	0	111.1	V731 C732 S733 M734 L736 H745 H749	C729-V731 PolarHBondContact O-N 3.43Å; C729-V731 VanDerWaalsContact O-N 3.16Å; C729-V731 PolarHBondContact SG-N 3.41Å; C729-V731 VanDerWaalsContact SG-N 3.44Å; C729-C732 PolarHBondContact O-N 3.38Å; C729-S733 VanDerWaalsContact O-CA 3.29Å; C729-S733 WeakPolarHBondContact O-CA 3.13Å; C729-S733 PolarHBondContact O-N 2.87Å; C729-M734 PolarHBondContact N-O 3.19Å; C729-L736 HydrophobicContact CB-CD1 4.47Å; C729-H745 VanDerWaalsContact CB-CD2 3.48Å; C729-H745 WeakPolarHBondContact CB-CD2 3.36Å; C729-H745 WeakPolarHBondContact CB-NE2 3.44Å; C729-H745 PolarHBondContact SG-NE2 2.91Å; C729-H749 VanDerWaalsContact SG-CD2 3.58Å
730	K	72.5	Confident	69.9	Low	212 Å²	212	62.8 Å²	62.8	92%	0.922	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.8	178.5	-63.7	-173.6	178.4	-176.6	0	114.2	I728	I728-K730 PolarHBondContact O-N 3.09Å
731	V	73	Confident	70.8	Confident	110 Å²	110	57.3 Å²	57.3	67%	0.667	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-33.3	-177.4	-172.4	0	0	0	0	112.7	C729	C729-V731 PolarHBondContact O-N 3.43Å; C729-V731 VanDerWaalsContact O-N 3.16Å; C729-V731 PolarHBondContact SG-N 3.41Å; C729-V731 VanDerWaalsContact SG-N 3.44Å
732	C	71.4	Confident	71.5	Confident	28 Å²	28	57.8 Å²	57.8	19%	0.189	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-1	-175.5	70.1	0	0	0	0	115.5	C729 M734 H745 H749	C729-C732 PolarHBondContact O-N 3.38Å; C732-M734 PolarHBondContact O-N 3.39Å; C732-M734 VanDerWaalsContact SG-CB 3.55Å; C732-H745 PolarHBondContact SG-CE1 3.24Å; C732-H745 PolarHBondContact SG-NE2 3.46Å; C732-H749 PolarHBondContact SG-NE2 3.21Å
733	S	68.7	Low	72.6	Confident	72 Å²	72	55.2 Å²	55.2	50%	0.503	29%	0.294	S	S	.	.			trans	58.7	25.4	-178.4	-54.5	0	0	0	0	115.1	C729 A784	C729-S733 VanDerWaalsContact O-CA 3.29Å; C729-S733 WeakPolarHBondContact O-CA 3.13Å; C729-S733 PolarHBondContact O-N 2.87Å; S733-A784 PolarHBondContact O-N 3.28Å
734	M	71.2	Confident	73.7	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.015	27%	0.271	C	S	.	.			trans	-74.5	129.1	169.7	-177.4	-178.9	-177.6	0	0	110.3	I728 C729 C732 L736 P758 E759 H779 R782	I728-M734 WeakPolarHBondContact CA-O 3.25Å; C729-M734 PolarHBondContact N-O 3.19Å; C732-M734 PolarHBondContact O-N 3.39Å; C732-M734 VanDerWaalsContact SG-CB 3.55Å; M734-L736 HydrophobicContact CE-CD2 3.46Å; M734-L736 VanDerWaalsContact CE-CD2 3.46Å; M734-L736 HydrophobicContact CE-CG 4.13Å; M734-L736 HydrophobicContact CG-CD1 4.25Å; M734-L736 HydrophobicContact CG-CD2 4.37Å; M734-L736 HydrophobicContact CG-CG 4.02Å; M734-L736 HydrophobicContact SD-CD1 4.22Å; M734-L736 HydrophobicContact SD-CD2 3.82Å; M734-L736 HydrophobicContact SD-CG 4.07Å; M734-P758 HydrophobicContact CE-CG 4.47Å; M734-E759 HydrophobicContact CE-CG 4.11Å; M734-E759 WeakPolarHBondContact CE-OE1 3.34Å; M734-H779 PolarHBondContact SD-CE1 2.9Å; M734-R782 HydrophobicContact CE-CB 4.03Å; M734-R782 HydrophobicContact CE-CG 4.4Å; M734-R782 HydrophobicContact CG-CB 4.38Å; M734-R782 WeakPolarHBondContact CG-O 3.37Å
735	L	72.1	Confident	74.7	Confident	7 Å²	7	49.1 Å²	49.1	4%	0.037	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-84.6	131	165.7	-173.4	72.3	0	0	0	109.3	V724 I728 R782 A784 V874	V724-L735 HydrophobicContact CG1-CD1 4.11Å; V724-L735 HydrophobicContact CG1-CD2 4.08Å; V724-L735 HydrophobicContact CG1-CG 4.42Å; I728-L735 HydrophobicContact CD1-CD1 4.43Å; I728-L735 HydrophobicContact CG1-CD1 3.58Å; L735-R782 WeakPolarHBondContact O-CD 3.42Å; L735-A784 HydrophobicContact CB-CB 3.94Å; L735-V874 HydrophobicContact CD2-CB 4.26Å; L735-V874 HydrophobicContact CD2-CG1 3.76Å
736	L	76.2	Confident	76	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.			trans	-115.6	127.1	-175.9	-75.7	143	0	0	0	109.4	L727 C729 M734 N738 F742 H745 P758	L727-L736 WeakPolarHBondContact CB-O 3.24Å; L727-L736 WeakPolarHBondContact CD1-O 3.47Å; L727-L736 PolarHBondContact O-N 3.32Å; C729-L736 HydrophobicContact CB-CD1 4.47Å; M734-L736 HydrophobicContact CE-CD2 3.46Å; M734-L736 VanDerWaalsContact CE-CD2 3.46Å; M734-L736 HydrophobicContact CE-CG 4.13Å; M734-L736 HydrophobicContact CG-CD1 4.25Å; M734-L736 HydrophobicContact CG-CD2 4.37Å; M734-L736 HydrophobicContact CG-CG 4.02Å; M734-L736 HydrophobicContact SD-CD1 4.22Å; M734-L736 HydrophobicContact SD-CD2 3.82Å; M734-L736 HydrophobicContact SD-CG 4.07Å; L736-N738 PolarHBondContact O-N 2.65Å; L736-F742 HydrophobicContact CB-CB 4.24Å; L736-F742 HydrophobicContact CD1-CD2 4.09Å; L736-H745 HydrophobicContact CD1-CB 3.64Å; L736-H745 WeakPolarHBondContact CD1-CD2 3.48Å; L736-H745 HydrophobicContact CD2-CB 4.05Å; L736-P758 HydrophobicContact CD2-CB 3.9Å; L736-P758 HydrophobicContact CD2-CG 3.99Å
737	P	73.4	Confident	77	Confident	13 Å²	13	46 Å²	46	8%	0.084	23%	0.225	C	C	.	.	S	Bend	trans	-61.8	-23.3	-166.2	-27	36.5	0	0	0	115.3	Q718 M720 S721 S741 R782	Q718-P737 WeakPolarHBondContact O-CB 3.14Å; M720-P737 CarbonylContact C-O 3.53Å; M720-P737 WeakPolarHBondContact CA-O 3.49Å; S721-P737 PolarHBondContact N-O 3.48Å; S721-P737 PolarHBondContact OG-O 2.83Å; P737-S741 WeakPolarHBondContact CD-OG 3.45Å; P737-R782 VanDerWaalsContact CD-NH1 3.27Å
738	N	79.3	Confident	77.1	Confident	15 Å²	15	46.4 Å²	46.4	8%	0.08	23%	0.228	C	C	.	.	S	Bend	trans	-153.8	165.4	179.7	62.7	46	0	0	0	113.5	H716 K719 S721 L727 L736 C740 S741 F742	H716-N738 PolarHBondContact O-ND2 3.48Å; K719-N738 PolarHBondContact O-ND2 2.87Å; S721-N738 WeakPolarHBondContact OG-CA 3.48Å; L727-N738 VanDerWaalsContact CD1-C 3.48Å; L736-N738 PolarHBondContact O-N 2.65Å; N738-C740 PolarHBondContact O-N 3.22Å; N738-C740 WeakPolarHBondContact OD1-CB 3.34Å; N738-C740 PolarHBondContact OD1-N 2.92Å; N738-C740 VanDerWaalsContact OD1-N 3.16Å; N738-S741 PolarHBondContact N-OG 3.1Å; N738-S741 VanDerWaalsContact N-OG 3.13Å; N738-S741 PolarHBondContact O-N 3.2Å; N738-S741 VanDerWaalsContact O-N 3.09Å; N738-S741 PolarHBondContact O-OG 3.44Å; N738-S741 PolarHBondContact OD1-N 3.4Å; N738-S741 PolarHBondContact OD1-OG 2.84Å; N738-F742 PolarHBondContact O-N 3.31Å
739	K	81.6	Confident	77.3	Confident	103 Å²	103	46.4 Å²	46.4	45%	0.448	23%	0.226	S	C	.	.	H	α-helix	trans	-53.5	-28.4	-179.2	-68.1	167.1	176.2	173.2	0	113.7	D723 L727 R743	D723-K739 WeakPolarHBondContact OD2-CE 3.43Å; D723-K739 IonicContact OD2-NZ 3.99Å; D723-K739 PolarHBondContact OD2-NZ 2.79Å; L727-K739 HydrophobicContact CD1-CG 4.43Å; L727-K739 HydrophobicContact CD2-CG 3.94Å; K739-R743 WeakPolarHBondContact O-CG 3.49Å; K739-R743 PolarHBondContact O-N 3.16Å; K739-R743 VanDerWaalsContact O-N 3.15Å
740	C	82.3	Confident	77.3	Confident	16 Å²	16	48.9 Å²	48.9	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-79.1	-42.2	177.9	-62.5	0	0	0	0	112.5	E702 Y717 N738 F742 T744	E702-C740 HydrophobicContact CB-CB 3.78Å; E702-C740 HydrophobicContact CG-CB 4.32Å; Y717-C740 HydrophobicContact CD1-CB 4.12Å; Y717-C740 HydrophobicContact CE1-CB 3.99Å; N738-C740 PolarHBondContact O-N 3.22Å; N738-C740 WeakPolarHBondContact OD1-CB 3.34Å; N738-C740 PolarHBondContact OD1-N 2.92Å; N738-C740 VanDerWaalsContact OD1-N 3.16Å; C740-F742 VanDerWaalsContact C-N 3.28Å; C740-F742 PolarHBondContact O-N 3.35Å; C740-T744 PolarHBondContact O-N 2.73Å; C740-T744 PolarHBondContact O-OG1 2.95Å
741	S	82.6	Confident	77.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.2	-36.1	171.6	62.9	0	0	0	0	111.3	Y717 P737 N738 T744 H745	Y717-S741 WeakPolarHBondContact O-CB 3.39Å; P737-S741 WeakPolarHBondContact CD-OG 3.45Å; N738-S741 PolarHBondContact N-OG 3.1Å; N738-S741 VanDerWaalsContact N-OG 3.13Å; N738-S741 PolarHBondContact O-N 3.2Å; N738-S741 VanDerWaalsContact O-N 3.09Å; N738-S741 PolarHBondContact O-OG 3.44Å; N738-S741 PolarHBondContact OD1-N 3.4Å; N738-S741 PolarHBondContact OD1-OG 2.84Å; S741-T744 WeakPolarHBondContact CA-OG1 3.49Å; S741-T744 PolarHBondContact O-OG1 2.83Å; S741-T744 VanDerWaalsContact O-OG1 3.09Å; S741-H745 WeakPolarHBondContact O-CB 3.31Å; S741-H745 PolarHBondContact O-N 3.11Å
742	F	82.3	Confident	77.2	Confident	38 Å²	38	46 Å²	46	17%	0.167	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-51.3	175	-174.4	-98.7	0	0	0	112.9	L727 L736 N738 C740 H745 Q746	L727-F742 HydrophobicContact CB-CD2 4.37Å; L727-F742 HydrophobicContact CD2-CB 4.04Å; L727-F742 HydrophobicContact CD2-CD1 4.5Å; L727-F742 HydrophobicContact CD2-CD2 4.4Å; L727-F742 HydrophobicContact CD2-CG 4.07Å; L736-F742 HydrophobicContact CB-CB 4.24Å; L736-F742 HydrophobicContact CD1-CD2 4.09Å; N738-F742 PolarHBondContact O-N 3.31Å; C740-F742 VanDerWaalsContact C-N 3.28Å; C740-F742 PolarHBondContact O-N 3.35Å; F742-H745 WeakPolarHBondContact O-CB 3.18Å; F742-H745 PolarHBondContact O-N 3.33Å; F742-Q746 HydrophobicContact CD1-CG 4.38Å; F742-Q746 HydrophobicContact CE1-CG 4.09Å; F742-Q746 VanDerWaalsContact CE1-OE1 3.26Å; F742-Q746 HydrophobicContact CZ-CG 4.35Å; F742-Q746 WeakPolarHBondContact O-CG 3.39Å; F742-Q746 PolarHBondContact O-N 3.19Å
743	R	81.1	Confident	77	Confident	130 Å²	130	49 Å²	49	49%	0.491	25%	0.248	S	C	.	.	H	α-helix	trans	-67.9	-40.6	179.7	-70.1	177.6	-175.6	168.2	-2.7	113.6	E702 K739 H745 Q746 R747	E702-R743 HydrophobicContact CG-CB 4.04Å; E702-R743 PolarHBondContact O-NH1 3.42Å; E702-R743 VanDerWaalsContact OE1-CB 3.31Å; E702-R743 WeakPolarHBondContact OE1-CB 3.29Å; E702-R743 WeakPolarHBondContact OE2-CB 3.08Å; E702-R743 WeakPolarHBondContact OE2-CD 3.45Å; K739-R743 WeakPolarHBondContact O-CG 3.49Å; K739-R743 PolarHBondContact O-N 3.16Å; K739-R743 VanDerWaalsContact O-N 3.15Å; R743-H745 VanDerWaalsContact C-N 3.31Å; R743-H745 PolarHBondContact O-N 3.34Å; R743-Q746 WeakPolarHBondContact O-CB 3.38Å; R743-Q746 PolarHBondContact O-N 3.28Å; R743-Q746 VanDerWaalsContact O-N 3.16Å; R743-R747 PolarHBondContact O-N 2.61Å
744	T	80.6	Confident	77.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-40.3	174.2	44	0	0	0	0	111.6	E702 Y717 C740 S741 R747 L748 C756	E702-T744 HydrophobicContact CG-CG2 3.62Å; E702-T744 PolarHBondContact OE1-N 3.46Å; Y717-T744 HydrophobicContact CE1-CG2 3.84Å; C740-T744 PolarHBondContact O-N 2.73Å; C740-T744 PolarHBondContact O-OG1 2.95Å; S741-T744 WeakPolarHBondContact CA-OG1 3.49Å; S741-T744 PolarHBondContact O-OG1 2.83Å; S741-T744 VanDerWaalsContact O-OG1 3.09Å; T744-R747 WeakPolarHBondContact O-CB 3.43Å; T744-R747 PolarHBondContact O-N 3.3Å; T744-L748 PolarHBondContact O-N 3.3Å; T744-C756 HydrophobicContact CG2-CB 3.85Å
745	H	82.1	Confident	77.4	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-40.9	171.9	176.1	67.2	0	0	0	113.4	C729 C732 L736 S741 F742 R743 R747 L748 H749 P758 H779	C729-H745 VanDerWaalsContact CB-CD2 3.48Å; C729-H745 WeakPolarHBondContact CB-CD2 3.36Å; C729-H745 WeakPolarHBondContact CB-NE2 3.44Å; C729-H745 PolarHBondContact SG-NE2 2.91Å; C732-H745 PolarHBondContact SG-CE1 3.24Å; C732-H745 PolarHBondContact SG-NE2 3.46Å; L736-H745 HydrophobicContact CD1-CB 3.64Å; L736-H745 WeakPolarHBondContact CD1-CD2 3.48Å; L736-H745 HydrophobicContact CD2-CB 4.05Å; S741-H745 WeakPolarHBondContact O-CB 3.31Å; S741-H745 PolarHBondContact O-N 3.11Å; F742-H745 WeakPolarHBondContact O-CB 3.18Å; F742-H745 PolarHBondContact O-N 3.33Å; R743-H745 VanDerWaalsContact C-N 3.31Å; R743-H745 PolarHBondContact O-N 3.34Å; H745-R747 VanDerWaalsContact C-N 3.26Å; H745-R747 PolarHBondContact O-N 3.04Å; H745-L748 WeakPolarHBondContact O-CB 3.46Å; H745-L748 PolarHBondContact O-N 3.4Å; H745-H749 AromaticContact CD2-CD2 3.95Å; H745-H749 AromaticContact CE1-CD2 3.48Å; H745-H749 PolarHBondContact CE1-CD2 2.89Å; H745-H749 VanDerWaalsContact CE1-CD2 3.48Å; H745-H749 AromaticContact CE1-NE2 3.28Å; H745-H749 PolarHBondContact CE1-NE2 2.91Å; H745-H749 VanDerWaalsContact CE1-NE2 3.28Å; H745-H749 AromaticContact NE2-CD2 3.3Å; H745-H749 PolarHBondContact NE2-CD2 3.3Å; H745-H749 VanDerWaalsContact NE2-CD2 3.3Å; H745-H749 AromaticContact NE2-NE2 3.26Å; H745-H749 PolarHBondContact NE2-NE2 3.1Å; H745-H749 PolarHBondContact O-N 3.31Å; H745-P758 HydrophobicContact CB-CG 4.15Å; H745-H779 AromaticContact CE1-CE1 3.84Å; H745-H779 AromaticContact CE1-NE2 3.54Å; H745-H779 AromaticContact ND1-CE1 3.17Å; H745-H779 PolarHBondContact ND1-CE1 3.42Å; H745-H779 AromaticContact ND1-NE2 2.92Å; H745-H779 PolarHBondContact ND1-NE2 3.15Å
746	Q	81.3	Confident	77.5	Confident	93 Å²	93	50 Å²	50	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-60.5	-35.7	172.7	-73.6	-178.4	-56	0	0	111.9	F742 R743 L748 H749 A750	F742-Q746 HydrophobicContact CD1-CG 4.38Å; F742-Q746 HydrophobicContact CE1-CG 4.09Å; F742-Q746 VanDerWaalsContact CE1-OE1 3.26Å; F742-Q746 HydrophobicContact CZ-CG 4.35Å; F742-Q746 WeakPolarHBondContact O-CG 3.39Å; F742-Q746 PolarHBondContact O-N 3.19Å; R743-Q746 WeakPolarHBondContact O-CB 3.38Å; R743-Q746 PolarHBondContact O-N 3.28Å; R743-Q746 VanDerWaalsContact O-N 3.16Å; Q746-L748 VanDerWaalsContact C-N 3.31Å; Q746-L748 PolarHBondContact O-N 3.17Å; Q746-H749 PolarHBondContact O-N 2.88Å; Q746-A750 WeakPolarHBondContact O-CB 3.23Å; Q746-A750 PolarHBondContact O-N 2.83Å
747	R	80.4	Confident	77.6	Confident	48 Å²	48	50 Å²	50	18%	0.181	25%	0.25	C	S	.	.	H	α-helix	trans	-63.7	-32.7	172.2	-72.9	-165.4	-92.3	172.9	-26.7	113.3	L701 E702 R743 T744 H745 A750 H751 K752 P754	L701-R747 PolarHBondContact O-NH2 2.85Å; E702-R747 IonicContact OE1-CZ 3.59Å; E702-R747 VanDerWaalsContact OE1-CZ 3.23Å; E702-R747 IonicContact OE1-NE 2.71Å; E702-R747 PolarHBondContact OE1-NE 2.98Å; E702-R747 IonicContact OE1-NH2 3.97Å; E702-R747 PolarHBondContact OE1-NH2 3.1Å; R743-R747 PolarHBondContact O-N 2.61Å; T744-R747 WeakPolarHBondContact O-CB 3.43Å; T744-R747 PolarHBondContact O-N 3.3Å; H745-R747 VanDerWaalsContact C-N 3.26Å; H745-R747 PolarHBondContact O-N 3.04Å; R747-A750 PolarHBondContact O-N 3.27Å; R747-H751 PolarHBondContact O-N 3.14Å; R747-H751 VanDerWaalsContact O-N 3.07Å; R747-K752 PolarHBondContact O-N 3.4Å; R747-P754 PolarHBondContact NH1-O 3.46Å
748	L	75.2	Confident	77.5	Confident	21 Å²	21	49.4 Å²	49.4	11%	0.11	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-47.5	172.7	-57.4	-176.9	0	0	0	111.3	T744 H745 Q746 A750 H751 Y755 I769 H779	T744-L748 PolarHBondContact O-N 3.3Å; H745-L748 WeakPolarHBondContact O-CB 3.46Å; H745-L748 PolarHBondContact O-N 3.4Å; Q746-L748 VanDerWaalsContact C-N 3.31Å; Q746-L748 PolarHBondContact O-N 3.17Å; L748-A750 VanDerWaalsContact C-N 3.34Å; L748-A750 PolarHBondContact O-N 2.83Å; L748-H751 PolarHBondContact O-N 3.44Å; L748-Y755 HydrophobicContact CD2-CD1 3.92Å; L748-Y755 HydrophobicContact CD2-CG 4.46Å; L748-I769 HydrophobicContact CD2-CD1 4.07Å; L748-I769 HydrophobicContact CD2-CG1 3.86Å; L748-H779 WeakPolarHBondContact CD1-NE2 3.15Å
749	H	77.2	Confident	77.1	Confident	60 Å²	60	48.8 Å²	48.8	28%	0.278	24%	0.243	S	C	.	.	H	α-helix	trans	-65.9	-33.3	175.8	-81.9	-62.7	0	0	0	113.5	C729 C732 H745 Q746 H751	C729-H749 VanDerWaalsContact SG-CD2 3.58Å; C732-H749 PolarHBondContact SG-NE2 3.21Å; H745-H749 AromaticContact CD2-CD2 3.95Å; H745-H749 AromaticContact CE1-CD2 3.48Å; H745-H749 PolarHBondContact CE1-CD2 2.89Å; H745-H749 VanDerWaalsContact CE1-CD2 3.48Å; H745-H749 AromaticContact CE1-NE2 3.28Å; H745-H749 PolarHBondContact CE1-NE2 2.91Å; H745-H749 VanDerWaalsContact CE1-NE2 3.28Å; H745-H749 AromaticContact NE2-CD2 3.3Å; H745-H749 PolarHBondContact NE2-CD2 3.3Å; H745-H749 VanDerWaalsContact NE2-CD2 3.3Å; H745-H749 AromaticContact NE2-NE2 3.26Å; H745-H749 PolarHBondContact NE2-NE2 3.1Å; H745-H749 PolarHBondContact O-N 3.31Å; Q746-H749 PolarHBondContact O-N 2.88Å; H749-H751 VanDerWaalsContact C-N 3.25Å; H749-H751 PolarHBondContact O-CD2 2.97Å; H749-H751 PolarHBondContact O-N 3.32Å
750	A	78.3	Confident	76.5	Confident	56 Å²	56	44.6 Å²	44.6	46%	0.463	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.3	175.9	0	0	0	0	0	113.6	Q746 R747 L748 K752	Q746-A750 WeakPolarHBondContact O-CB 3.23Å; Q746-A750 PolarHBondContact O-N 2.83Å; R747-A750 PolarHBondContact O-N 3.27Å; L748-A750 VanDerWaalsContact C-N 3.34Å; L748-A750 PolarHBondContact O-N 2.83Å; A750-K752 HydrophobicContact CB-CD 4.28Å; A750-K752 HydrophobicContact CB-CG 3.97Å; A750-K752 WeakPolarHBondContact O-CG 3.37Å; A750-K752 PolarHBondContact O-N 2.74Å
751	H	72.8	Confident	75.9	Confident	123 Å²	123	43.8 Å²	43.8	57%	0.569	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	36.1	-174.1	-68.4	-93	0	0	0	114.4	R747 L748 H749 Y755	R747-H751 PolarHBondContact O-N 3.14Å; R747-H751 VanDerWaalsContact O-N 3.07Å; L748-H751 PolarHBondContact O-N 3.44Å; H749-H751 VanDerWaalsContact C-N 3.25Å; H749-H751 PolarHBondContact O-CD2 2.97Å; H749-H751 PolarHBondContact O-N 3.32Å; H751-Y755 PolarHBondContact O-OH 3.4Å
752	K	72.2	Confident	75.3	Confident	138 Å²	138	44.3 Å²	44.3	60%	0.6	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-96.9	122.1	-178.8	-63	-168.2	179	-175	0	111.1	R747 A750	R747-K752 PolarHBondContact O-N 3.4Å; A750-K752 HydrophobicContact CB-CD 4.28Å; A750-K752 HydrophobicContact CB-CG 3.97Å; A750-K752 WeakPolarHBondContact O-CG 3.37Å; A750-K752 PolarHBondContact O-N 2.74Å
753	S	66.9	Low	74.6	Confident	91 Å²	91	46.7 Å²	46.7	64%	0.636	25%	0.245	S	C	*	.	S	Bend	trans	-68.5	157.3	171.1	44.7	0	0	0	0	112
754	P	73.4	Confident	74	Confident	70 Å²	70	41.5 Å²	41.5	46%	0.455	23%	0.229	S	C	.	.	S	Bend	cis	-71.4	143.3	-14.8	31.1	-35.9	0	0	0	111.6	L701 R747	L701-P754 HydrophobicContact CD1-CB 4.31Å; L701-P754 HydrophobicContact CD1-CG 3.45Å; L701-P754 VanDerWaalsContact CD1-CG 3.45Å; R747-P754 PolarHBondContact NH1-O 3.46Å
755	Y	74.9	Confident	73.3	Confident	29 Å²	29	49.9 Å²	49.9	11%	0.114	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.2	-177.6	-56.7	-100.3	0	0	0	109.6	L748 H751 P763 S764 I769	L748-Y755 HydrophobicContact CD2-CD1 3.92Å; L748-Y755 HydrophobicContact CD2-CG 4.46Å; H751-Y755 PolarHBondContact O-OH 3.4Å; Y755-P763 CarbonylContact O-C 3.55Å; Y755-P763 WeakPolarHBondContact O-CA 3.44Å; Y755-S764 PolarHBondContact O-N 3.24Å; Y755-I769 HydrophobicContact CD1-CG1 4.47Å; Y755-I769 HydrophobicContact CD1-CG2 4.05Å; Y755-I769 HydrophobicContact CG-CG2 4.29Å
756	C	73.4	Confident	72.5	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.034	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.8	172.5	-71.7	0	0	0	0	110	T744 P758 A762	T744-C756 HydrophobicContact CG2-CB 3.85Å; C756-P758 WeakPolarHBondContact O-CD 3.46Å; C756-A762 WeakPolarHBondContact CA-O 3.34Å
757	C	78.9	Confident	71.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.285	C	S	.	.			trans	-79.3	116.3	176.3	-177	0	0	0	0	110.4	E759 C760 G761 A762 I769	C757-E759 PolarHBondContact O-N 3.25Å; C757-E759 VanDerWaalsContact O-N 3.13Å; C757-C760 VanDerWaalsContact CB-SG 3.57Å; C757-C760 PolarHBondContact O-N 2.95Å; C757-G761 WeakPolarHBondContact O-CA 3.21Å; C757-G761 PolarHBondContact O-N 3.39Å; C757-A762 HydrophobicContact CB-CB 4.4Å; C757-A762 PolarHBondContact N-O 2.92Å; C757-I769 HydrophobicContact CB-CD1 4.05Å
758	P	70.6	Confident	70.9	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.006	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15	-175.5	30.5	-38.9	0	0	0	113.3	Y717 M734 L736 H745 C756 H779	Y717-P758 WeakPolarHBondContact CB-O 3.37Å; M734-P758 HydrophobicContact CE-CG 4.47Å; L736-P758 HydrophobicContact CD2-CB 3.9Å; L736-P758 HydrophobicContact CD2-CG 3.99Å; H745-P758 HydrophobicContact CB-CG 4.15Å; C756-P758 WeakPolarHBondContact O-CD 3.46Å; P758-H779 WeakPolarHBondContact CG-CE1 3.3Å
759	E	70.9	Confident	70.7	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.5	-179.4	-76.6	-56.4	120.6	0	0	114.5	Q718 M734 C757 C777 H779 R782 K890	Q718-E759 PolarHBondContact NE2-O 2.66Å; M734-E759 HydrophobicContact CE-CG 4.11Å; M734-E759 WeakPolarHBondContact CE-OE1 3.34Å; C757-E759 PolarHBondContact O-N 3.25Å; C757-E759 VanDerWaalsContact O-N 3.13Å; E759-C777 VanDerWaalsContact CB-SG 3.56Å; E759-H779 HydrophobicContact CG-CB 4.5Å; E759-R782 VanDerWaalsContact CD-CZ 3.46Å; E759-R782 WeakPolarHBondContact OE1-CD 3.34Å; E759-R782 IonicContact OE1-CZ 3.79Å; E759-R782 IonicContact OE1-NE 2.66Å; E759-R782 PolarHBondContact OE1-NE 3.01Å; E759-R782 IonicContact OE1-NH1 3.13Å; E759-R782 PolarHBondContact OE1-NH1 3.38Å; E759-R782 IonicContact OE1-NH2 2.74Å; E759-R782 PolarHBondContact OE1-NH2 3.22Å; E759-R782 IonicContact OE2-CZ 2.74Å; E759-R782 IonicContact OE2-NE 3.6Å; E759-R782 PolarHBondContact OE2-NE 3.35Å; E759-R782 IonicContact OE2-NH2 3.74Å; E759-R782 PolarHBondContact OE2-NH2 3.49Å; E759-K890 PolarHBondContact O-NZ 2.98Å
760	C	69.9	Low	70.4	Confident	15 Å²	15	56.1 Å²	56.1	10%	0.101	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.9	-12	-175.9	63.2	0	0	0	0	115	Y710 A714 C757 A762 H772 C777	Y710-C760 VanDerWaalsContact CZ-O 3.23Å; Y710-C760 PolarHBondContact OH-O 2.88Å; A714-C760 WeakPolarHBondContact CB-O 3.2Å; C757-C760 VanDerWaalsContact CB-SG 3.57Å; C757-C760 PolarHBondContact O-N 2.95Å; C760-A762 VanDerWaalsContact C-N 3.3Å; C760-A762 PolarHBondContact O-N 2.9Å; C760-A762 WeakPolarHBondContact SG-CB 3.44Å; C760-A762 PolarHBondContact SG-N 3.28Å; C760-A762 VanDerWaalsContact SG-N 3.36Å; C760-H772 PolarHBondContact SG-NE2 3.4Å; C760-C777 VanDerWaalsContact SG-SG 3.67Å
761	G	68.7	Low	70.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.			trans	79.9	0.8	-175.5	0	0	0	0	0	115.3	L713 C757 P763	L713-G761 WeakPolarHBondContact CD2-O 3.43Å; C757-G761 WeakPolarHBondContact O-CA 3.21Å; C757-G761 PolarHBondContact O-N 3.39Å; G761-P763 VanDerWaalsContact O-CD 3.23Å; G761-P763 WeakPolarHBondContact O-CD 3.26Å
762	A	70.1	Confident	70.2	Confident	10 Å²	10	55.6 Å²	55.6	8%	0.083	30%	0.298	C	S	.	.			trans	-57.5	118.9	178.6	0	0	0	0	0	111.6	Y710 C756 C757 C760 S764	Y710-A762 HydrophobicContact CE2-CB 4.49Å; Y710-A762 WeakPolarHBondContact OH-CB 3.14Å; Y710-A762 PolarHBondContact OH-N 3.26Å; C756-A762 WeakPolarHBondContact CA-O 3.34Å; C757-A762 HydrophobicContact CB-CB 4.4Å; C757-A762 PolarHBondContact N-O 2.92Å; C760-A762 VanDerWaalsContact C-N 3.3Å; C760-A762 PolarHBondContact O-N 2.9Å; C760-A762 WeakPolarHBondContact SG-CB 3.44Å; C760-A762 PolarHBondContact SG-N 3.28Å; C760-A762 VanDerWaalsContact SG-N 3.36Å; A762-S764 PolarHBondContact O-N 3.36Å
763	P	68.9	Low	70.2	Confident	89 Å²	89	49.3 Å²	49.3	58%	0.578	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	117.4	155.8	31.1	-29.6	0	0	0	107.9	Y755 G761	Y755-P763 CarbonylContact O-C 3.55Å; Y755-P763 WeakPolarHBondContact O-CA 3.44Å; G761-P763 VanDerWaalsContact O-CD 3.23Å; G761-P763 WeakPolarHBondContact O-CD 3.26Å
764	S	66.9	Low	70.1	Confident	21 Å²	21	51.6 Å²	51.6	15%	0.147	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.9	178.5	-58.7	0	0	0	0	110.5	Y755 A762	Y755-S764 PolarHBondContact O-N 3.24Å; A762-S764 PolarHBondContact O-N 3.36Å
765	R	65.6	Low	69.7	Low	175 Å²	175	52.6 Å²	52.6	66%	0.66	27%	0.269	S	S	*	.			trans	-74.1	161.3	166.6	-62.1	175.9	171.9	173.3	-1.3	109	A767 D768 I769	R765-A767 PolarHBondContact O-N 3.14Å; R765-A767 VanDerWaalsContact O-N 3.14Å; R765-D768 WeakPolarHBondContact CB-OD2 3.05Å; R765-D768 PolarHBondContact O-N 3.42Å; R765-I769 PolarHBondContact O-N 2.83Å
766	S	66	Low	69.1	Low	52 Å²	52	56.4 Å²	56.4	36%	0.364	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.6	-168.5	58.3	0	0	0	0	115.2	I769	S766-I769 WeakPolarHBondContact O-CG2 3.36Å
767	A	61	Low	68.9	Low	73 Å²	73	56.3 Å²	56.3	60%	0.603	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-43.2	176.5	0	0	0	0	0	111.9	R765 I769	R765-A767 PolarHBondContact O-N 3.14Å; R765-A767 VanDerWaalsContact O-N 3.14Å; A767-I769 PolarHBondContact O-N 3.36Å
768	D	67.6	Low	68.2	Low	86 Å²	86	56.5 Å²	56.5	46%	0.46	29%	0.291	S	S	.	.	H	α-helix	trans	-75.9	-25.8	-170.9	-47.2	-55	0	0	0	112.6	R765 Q770 K771 H772	R765-D768 WeakPolarHBondContact CB-OD2 3.05Å; R765-D768 PolarHBondContact O-N 3.42Å; D768-Q770 PolarHBondContact O-N 2.85Å; D768-K771 PolarHBondContact O-N 2.9Å; D768-H772 VanDerWaalsContact O-CB 3.25Å; D768-H772 WeakPolarHBondContact O-CB 3.46Å; D768-H772 PolarHBondContact O-N 3.38Å
769	I	71.4	Confident	67.6	Low	12 Å²	12	56.6 Å²	56.6	6%	0.062	29%	0.292	C	S	.	.	H	α-helix	trans	-57.4	-34.8	-177.7	-171.7	59.5	0	0	0	112.4	L748 Y755 C757 R765 S766 A767 V773	L748-I769 HydrophobicContact CD2-CD1 4.07Å; L748-I769 HydrophobicContact CD2-CG1 3.86Å; Y755-I769 HydrophobicContact CD1-CG1 4.47Å; Y755-I769 HydrophobicContact CD1-CG2 4.05Å; Y755-I769 HydrophobicContact CG-CG2 4.29Å; C757-I769 HydrophobicContact CB-CD1 4.05Å; R765-I769 PolarHBondContact O-N 2.83Å; S766-I769 WeakPolarHBondContact O-CG2 3.36Å; A767-I769 PolarHBondContact O-N 3.36Å; I769-V773 HydrophobicContact CD1-CG2 4.15Å; I769-V773 HydrophobicContact CG1-CG2 4.28Å; I769-V773 WeakPolarHBondContact O-CB 3.4Å; I769-V773 WeakPolarHBondContact O-CG2 3.49Å; I769-V773 PolarHBondContact O-N 2.75Å
770	Q	69.9	Low	67	Low	131 Å²	131	63.1 Å²	63.1	61%	0.612	32%	0.317	S	S	*	.	H	α-helix	trans	-70.8	-46.9	179.1	-68.2	-168.6	-0.5	0	0	112.5	D768 H772 V773 K774	D768-Q770 PolarHBondContact O-N 2.85Å; Q770-H772 VanDerWaalsContact C-N 3.33Å; Q770-H772 PolarHBondContact O-N 3.09Å; Q770-V773 PolarHBondContact O-N 2.82Å; Q770-K774 WeakPolarHBondContact O-CB 3.49Å; Q770-K774 PolarHBondContact O-N 3.16Å
771	K	71.1	Confident	66.6	Low	133 Å²	133	62.5 Å²	62.5	58%	0.578	31%	0.313	S	S	*	.	H	α-helix	trans	-61.6	-42.3	173.4	-67	-172.5	178.6	-174.8	0	111.2	D768 V773 K774 E775	D768-K771 PolarHBondContact O-N 2.9Å; K771-V773 PolarHBondContact O-N 2.72Å; K771-K774 PolarHBondContact O-N 3.07Å; K771-E775 WeakPolarHBondContact CB-OE2 3.49Å; K771-E775 WeakPolarHBondContact O-CB 3.23Å; K771-E775 PolarHBondContact O-N 3.28Å
772	H	75.4	Confident	66.4	Low	35 Å²	35	63.2 Å²	63.2	16%	0.162	32%	0.316	C	S	.	.	I	π-helix	trans	-58.9	-46.8	173.9	-178	80.8	0	0	0	111.9	C760 D768 Q770 N776 C777	C760-H772 PolarHBondContact SG-NE2 3.4Å; D768-H772 VanDerWaalsContact O-CB 3.25Å; D768-H772 WeakPolarHBondContact O-CB 3.46Å; D768-H772 PolarHBondContact O-N 3.38Å; Q770-H772 VanDerWaalsContact C-N 3.33Å; Q770-H772 PolarHBondContact O-N 3.09Å; H772-N776 PolarHBondContact O-N 3.13Å; H772-C777 VanDerWaalsContact NE2-CB 3.32Å; H772-C777 WeakPolarHBondContact NE2-CB 3.45Å; H772-C777 PolarHBondContact NE2-SG 3.07Å; H772-C777 WeakPolarHBondContact O-CB 3.49Å; H772-C777 PolarHBondContact O-N 2.95Å
773	V	71.6	Confident	66.2	Low	7 Å²	7	66.9 Å²	66.9	4%	0.042	33%	0.33	C	S	.	.	I	π-helix	trans	-63.1	-41.4	177.1	150.6	0	0	0	0	112.8	I769 Q770 K771 L778 H779 Y780	I769-V773 HydrophobicContact CD1-CG2 4.15Å; I769-V773 HydrophobicContact CG1-CG2 4.28Å; I769-V773 WeakPolarHBondContact O-CB 3.4Å; I769-V773 WeakPolarHBondContact O-CG2 3.49Å; I769-V773 PolarHBondContact O-N 2.75Å; Q770-V773 PolarHBondContact O-N 2.82Å; K771-V773 PolarHBondContact O-N 2.72Å; V773-L778 CarbonylContact O-C 3.58Å; V773-L778 VanDerWaalsContact O-CA 3.26Å; V773-L778 WeakPolarHBondContact O-CA 3.49Å; V773-L778 PolarHBondContact O-N 3.48Å; V773-H779 HydrophobicContact CB-CB 4.13Å; V773-H779 HydrophobicContact CG1-CB 3.97Å; V773-H779 HydrophobicContact CG2-CB 3.75Å; V773-H779 PolarHBondContact O-N 3.3Å; V773-Y780 HydrophobicContact CG1-CD2 3.73Å; V773-Y780 HydrophobicContact CG1-CE2 3.31Å
774	K	66.6	Low	65.8	Low	139 Å²	139	63.4 Å²	63.4	60%	0.604	31%	0.308	S	S	*	.	I	π-helix	trans	-87.2	-35.7	-172.4	-169.6	-168.8	173.1	-162.9	0	114.1	Q770 K771 L778	Q770-K774 WeakPolarHBondContact O-CB 3.49Å; Q770-K774 PolarHBondContact O-N 3.16Å; K771-K774 PolarHBondContact O-N 3.07Å; K774-L778 WeakPolarHBondContact O-CD2 3.33Å
775	E	63.5	Low	65.8	Low	91 Å²	91	65.1 Å²	65.1	43%	0.425	31%	0.312	S	S	.	.	I	π-helix	trans	-112.3	-47.8	-170.7	-65.2	139.1	-155.5	0	0	111.8	K771	K771-E775 WeakPolarHBondContact CB-OE2 3.49Å; K771-E775 WeakPolarHBondContact O-CB 3.23Å; K771-E775 PolarHBondContact O-N 3.28Å
776	N	62.9	Low	65.7	Low	109 Å²	109	58.5 Å²	58.5	58%	0.583	29%	0.287	S	S	*	.	I	π-helix	trans	-91.3	-23.3	-167.6	-70.5	-96.3	0	0	0	114.1	H772	H772-N776 PolarHBondContact O-N 3.13Å
777	C	68.4	Low	65.7	Low	2 Å²	2	58.9 Å²	58.9	1%	0.014	28%	0.282	C	S	.	.	S	Bend	trans	-132.7	-15.8	-165.8	-151.6	0	0	0	0	114.3	E759 C760 H772 H779 K890	E759-C777 VanDerWaalsContact CB-SG 3.56Å; C760-C777 VanDerWaalsContact SG-SG 3.67Å; H772-C777 VanDerWaalsContact NE2-CB 3.32Å; H772-C777 WeakPolarHBondContact NE2-CB 3.45Å; H772-C777 PolarHBondContact NE2-SG 3.07Å; H772-C777 WeakPolarHBondContact O-CB 3.49Å; H772-C777 PolarHBondContact O-N 2.95Å; C777-H779 VanDerWaalsContact C-N 3.35Å; C777-H779 PolarHBondContact O-N 2.77Å; C777-K890 WeakPolarHBondContact O-CE 3.47Å; C777-K890 PolarHBondContact SG-NZ 3.01Å
778	L	64.5	Low	66.3	Low	5 Å²	5	55.4 Å²	55.4	3%	0.026	25%	0.254	C	S	.	.			trans	43.7	54.3	-177.9	-62.8	-172.2	0	0	0	113.4	V773 K774 Y780 A781 P881 L893 M894 F897	V773-L778 CarbonylContact O-C 3.58Å; V773-L778 VanDerWaalsContact O-CA 3.26Å; V773-L778 WeakPolarHBondContact O-CA 3.49Å; V773-L778 PolarHBondContact O-N 3.48Å; K774-L778 WeakPolarHBondContact O-CD2 3.33Å; L778-Y780 VanDerWaalsContact C-N 3.32Å; L778-Y780 PolarHBondContact O-N 3.23Å; L778-A781 HydrophobicContact CB-CB 3.93Å; L778-A781 WeakPolarHBondContact O-CB 3.33Å; L778-A781 PolarHBondContact O-N 2.88Å; L778-P881 HydrophobicContact CD2-CG 3.93Å; L778-L893 HydrophobicContact CB-CD2 4.35Å; L778-L893 HydrophobicContact CD1-CD1 4.26Å; L778-L893 HydrophobicContact CD1-CD2 3.69Å; L778-L893 HydrophobicContact CD1-CG 3.76Å; L778-M894 HydrophobicContact CD1-CE 3.7Å; L778-M894 HydrophobicContact CG-CE 3.7Å; L778-F897 HydrophobicContact CD1-CB 4.07Å; L778-F897 HydrophobicContact CD1-CD1 4.18Å; L778-F897 HydrophobicContact CD1-CD2 4.25Å; L778-F897 HydrophobicContact CD1-CG 3.91Å; L778-F897 HydrophobicContact CD2-CE1 4.36Å; L778-F897 HydrophobicContact CD2-CZ 4.4Å
779	H	58.4	Low	66.2	Low	3 Å²	3	53 Å²	53	1%	0.014	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-60.4	-40	-173.5	175.6	39.4	0	0	0	112.8	M734 H745 L748 P758 E759 V773 C777 A781	M734-H779 PolarHBondContact SD-CE1 2.9Å; H745-H779 AromaticContact CE1-CE1 3.84Å; H745-H779 AromaticContact CE1-NE2 3.54Å; H745-H779 AromaticContact ND1-CE1 3.17Å; H745-H779 PolarHBondContact ND1-CE1 3.42Å; H745-H779 AromaticContact ND1-NE2 2.92Å; H745-H779 PolarHBondContact ND1-NE2 3.15Å; L748-H779 WeakPolarHBondContact CD1-NE2 3.15Å; P758-H779 WeakPolarHBondContact CG-CE1 3.3Å; E759-H779 HydrophobicContact CG-CB 4.5Å; V773-H779 HydrophobicContact CB-CB 4.13Å; V773-H779 HydrophobicContact CG1-CB 3.97Å; V773-H779 HydrophobicContact CG2-CB 3.75Å; V773-H779 PolarHBondContact O-N 3.3Å; C777-H779 VanDerWaalsContact C-N 3.35Å; C777-H779 PolarHBondContact O-N 2.77Å; H779-A781 PolarHBondContact O-N 3.36Å
780	Y	59.4	Low	66	Low	138 Å²	138	55.2 Å²	55.2	54%	0.541	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-71.4	-7.2	176.8	-58.5	-56.5	0	0	0	115	V773 L778 K783	V773-Y780 HydrophobicContact CG1-CD2 3.73Å; V773-Y780 HydrophobicContact CG1-CE2 3.31Å; L778-Y780 VanDerWaalsContact C-N 3.32Å; L778-Y780 PolarHBondContact O-N 3.23Å; Y780-K783 WeakPolarHBondContact O-CE 3.35Å
781	A	61.1	Low	66.1	Low	2 Å²	2	51 Å²	51	2%	0.017	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-74.2	-35.1	-179.4	0	0	0	0	0	113.1	L778 H779 K783 F878 K879 L893	L778-A781 HydrophobicContact CB-CB 3.93Å; L778-A781 WeakPolarHBondContact O-CB 3.33Å; L778-A781 PolarHBondContact O-N 2.88Å; H779-A781 PolarHBondContact O-N 3.36Å; A781-K783 PolarHBondContact O-N 3.49Å; A781-F878 CarbonylContact O-C 3.2Å; A781-F878 WeakPolarHBondContact O-CA 3.41Å; A781-K879 WeakPolarHBondContact CA-O 3.48Å; A781-K879 WeakPolarHBondContact CB-O 3.23Å; A781-K879 PolarHBondContact O-N 3.42Å; A781-L893 HydrophobicContact CB-CD2 3.3Å
782	R	64.4	Low	65.8	Low	14 Å²	14	50.9 Å²	50.9	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	115.7	-178.6	-174.9	-177.2	-68.4	-171.2	9.1	109.3	M734 L735 P737 E759 C876 F878	M734-R782 HydrophobicContact CE-CB 4.03Å; M734-R782 HydrophobicContact CE-CG 4.4Å; M734-R782 HydrophobicContact CG-CB 4.38Å; M734-R782 WeakPolarHBondContact CG-O 3.37Å; L735-R782 WeakPolarHBondContact O-CD 3.42Å; P737-R782 VanDerWaalsContact CD-NH1 3.27Å; E759-R782 VanDerWaalsContact CD-CZ 3.46Å; E759-R782 WeakPolarHBondContact OE1-CD 3.34Å; E759-R782 IonicContact OE1-CZ 3.79Å; E759-R782 IonicContact OE1-NE 2.66Å; E759-R782 PolarHBondContact OE1-NE 3.01Å; E759-R782 IonicContact OE1-NH1 3.13Å; E759-R782 PolarHBondContact OE1-NH1 3.38Å; E759-R782 IonicContact OE1-NH2 2.74Å; E759-R782 PolarHBondContact OE1-NH2 3.22Å; E759-R782 IonicContact OE2-CZ 2.74Å; E759-R782 IonicContact OE2-NE 3.6Å; E759-R782 PolarHBondContact OE2-NE 3.35Å; E759-R782 IonicContact OE2-NH2 3.74Å; E759-R782 PolarHBondContact OE2-NH2 3.49Å; R782-C876 HydrophobicContact CG-CB 4Å; R782-F878 HydrophobicContact CB-CD1 4.03Å; R782-F878 HydrophobicContact CB-CE1 3.91Å; R782-F878 HydrophobicContact CG-CE1 4.2Å; R782-F878 HydrophobicContact CG-CZ 4.42Å
783	K	65.1	Low	65.5	Low	87 Å²	87	54.3 Å²	54.3	38%	0.378	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.3	175.5	-64.7	-167.1	175.1	-168.6	0	110.9	Y780 A781 W785 V877	Y780-K783 WeakPolarHBondContact O-CE 3.35Å; A781-K783 PolarHBondContact O-N 3.49Å; K783-W785 PolarHBondContact O-N 3.21Å; K783-V877 PolarHBondContact N-O 2.92Å; K783-V877 PolarHBondContact O-N 2.95Å; K783-V877 VanDerWaalsContact O-N 3.1Å
784	A	61.9	Low	65.6	Low	16 Å²	16	56.1 Å²	56.1	13%	0.132	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.6	172.8	0	0	0	0	0	109.9	S733 L735 V874	S733-A784 PolarHBondContact O-N 3.28Å; L735-A784 HydrophobicContact CB-CB 3.94Å; A784-V874 HydrophobicContact CB-CG1 4.3Å
785	W	66.9	Low	65.7	Low	58 Å²	58	51.4 Å²	51.4	22%	0.22	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.1	165.9	-59.9	55.1	0	0	0	109.9	K783 V794 F795 R796 T875 V877 V886	K783-W785 PolarHBondContact O-N 3.21Å; W785-V794 HydrophobicContact CB-CG1 3.39Å; W785-V794 HydrophobicContact CD2-CG1 4.41Å; W785-V794 HydrophobicContact CE3-CG1 4.15Å; W785-V794 HydrophobicContact CG-CG1 4.17Å; W785-F795 WeakPolarHBondContact CA-O 3.49Å; W785-F795 WeakPolarHBondContact CB-O 3.32Å; W785-F795 VanDerWaalsContact CE3-C 3.45Å; W785-R796 HydrophobicContact CD2-CB 4.47Å; W785-R796 HydrophobicContact CE3-CB 4.17Å; W785-R796 VanDerWaalsContact CE3-N 3.35Å; W785-R796 HydrophobicContact CH2-CB 4.3Å; W785-R796 HydrophobicContact CZ3-CB 4.08Å; W785-T875 PolarHBondContact N-O 3.32Å; W785-T875 PolarHBondContact O-N 2.85Å; W785-T875 VanDerWaalsContact O-O 3.06Å; W785-T875 PolarHBondContact O-OG1 3.25Å; W785-V877 HydrophobicContact CB-CG2 3.59Å; W785-V877 HydrophobicContact CG-CB 4.41Å; W785-V877 HydrophobicContact CG-CG2 3.78Å; W785-V886 HydrophobicContact CH2-CG2 4.21Å; W785-V886 HydrophobicContact CZ2-CG2 4.1Å
786	Y	63.1	Low	65.7	Low	36 Å²	36	56.7 Å²	56.7	14%	0.141	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.6	-172.2	-54.9	-86.5	0	0	0	110	V794 F795 T797 L798 V874	Y786-V794 WeakPolarHBondContact O-CA 3.49Å; Y786-F795 PolarHBondContact N-O 3.44Å; Y786-F795 PolarHBondContact O-N 2.72Å; Y786-T797 VanDerWaalsContact CD2-C 3.47Å; Y786-L798 HydrophobicContact CD1-CD2 3.39Å; Y786-L798 HydrophobicContact CD1-CG 3.86Å; Y786-L798 HydrophobicContact CD2-CG 4.35Å; Y786-L798 HydrophobicContact CE1-CD1 4.25Å; Y786-L798 HydrophobicContact CE1-CD2 3.53Å; Y786-L798 HydrophobicContact CE1-CG 3.58Å; Y786-L798 HydrophobicContact CE2-CG 4.12Å; Y786-L798 HydrophobicContact CG-CD2 3.95Å; Y786-L798 HydrophobicContact CG-CG 4.24Å; Y786-V874 HydrophobicContact CD1-CG1 4.37Å; Y786-V874 HydrophobicContact CD1-CG2 3.99Å; Y786-V874 HydrophobicContact CE1-CG1 4.17Å; Y786-V874 HydrophobicContact CE1-CG2 3.83Å
787	K	65.1	Low	65.9	Low	59 Å²	59	54.7 Å²	54.7	26%	0.257	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	135.8	178.7	-174.3	180	-178.6	-174.8	0	110.5	D792 V794 Q801 R873 T875	K787-D792 WeakPolarHBondContact CE-OD1 3.42Å; K787-D792 IonicContact NZ-OD1 2.69Å; K787-D792 PolarHBondContact NZ-OD1 2.87Å; K787-V794 HydrophobicContact CB-CG2 4.13Å; K787-V794 HydrophobicContact CG-CG2 4Å; K787-Q801 PolarHBondContact O-NE2 2.86Å; K787-R873 PolarHBondContact N-O 3.46Å; K787-T875 HydrophobicContact CB-CG2 3.89Å; K787-T875 HydrophobicContact CD-CG2 4.33Å
788	C	73.4	Confident	65.9	Low	1 Å²	1	57.3 Å²	57.3	1%	0.007	27%	0.27	C	S	.	.			trans	-58.5	145.2	174	-176.9	0	0	0	0	111.7	H790 C791 M793 H804 V805 H809	C788-H790 VanDerWaalsContact C-N 3.29Å; C788-H790 PolarHBondContact SG-N 3.39Å; C788-H790 VanDerWaalsContact SG-N 3.42Å; C788-C791 WeakPolarHBondContact CB-O 3.35Å; C788-C791 VanDerWaalsContact O-O 3.11Å; C788-M793 PolarHBondContact N-O 3.09Å; C788-H804 PolarHBondContact SG-NE2 2.85Å; C788-H804 VanDerWaalsContact SG-NE2 3.39Å; C788-V805 VanDerWaalsContact SG-CG2 3.6Å; C788-H809 PolarHBondContact SG-CD2 3.12Å
789	L	66	Low	66.4	Low	34 Å²	34	62.8 Å²	62.8	18%	0.178	30%	0.298	C	S	.	.	S	Bend	trans	-73	-24.3	177.3	-80.4	157.9	0	0	0	112.8	F866 N869 R873	L789-F866 HydrophobicContact CD1-CD2 3.83Å; L789-F866 HydrophobicContact CD1-CE2 4.15Å; L789-N869 HydrophobicContact CD1-CB 3.53Å; L789-N869 HydrophobicContact CD2-CB 3.84Å; L789-N869 HydrophobicContact CG-CB 4.34Å; L789-R873 HydrophobicContact CD2-CG 4.38Å; L789-R873 PolarHBondContact O-NH1 3.16Å
790	H	67	Low	67.2	Low	60 Å²	60	63.5 Å²	63.5	28%	0.278	31%	0.307	S	S	.	.	S	Bend	trans	-118.5	-6.8	-168.4	-52	-56.7	0	0	0	114.1	C788 H809 C850	C788-H790 VanDerWaalsContact C-N 3.29Å; C788-H790 PolarHBondContact SG-N 3.39Å; C788-H790 VanDerWaalsContact SG-N 3.42Å; H790-H809 HydrophobicContact CB-CB 4.19Å; H790-H809 VanDerWaalsContact CB-ND1 3.34Å; H790-H809 WeakPolarHBondContact CB-ND1 3.47Å; H790-H809 AromaticContact CD2-CG 3.9Å; H790-C850 VanDerWaalsContact CE1-SG 3.54Å
791	C	71.4	Confident	67.9	Low	42 Å²	42	56.9 Å²	56.9	28%	0.284	28%	0.281	S	S	.	.	S	Bend	trans	-149.9	174.2	169	77	0	0	0	0	111.7	C788 M793 H804 H809	C788-C791 WeakPolarHBondContact CB-O 3.35Å; C788-C791 VanDerWaalsContact O-O 3.11Å; C791-M793 VanDerWaalsContact C-N 3.25Å; C791-M793 PolarHBondContact O-N 2.92Å; C791-M793 VanDerWaalsContact SG-CB 3.55Å; C791-M793 PolarHBondContact SG-N 2.94Å; C791-H804 PolarHBondContact SG-NE2 3.15Å; C791-H809 PolarHBondContact SG-NE2 3.15Å; C791-H809 VanDerWaalsContact SG-NE2 3.43Å
792	D	64.9	Low	68.5	Low	130 Å²	130	59.4 Å²	59.4	70%	0.695	29%	0.291	S	S	*	.	S	Bend	trans	-82.3	10.9	-179	-67.5	-60.2	0	0	0	115	K787	K787-D792 WeakPolarHBondContact CE-OD1 3.42Å; K787-D792 IonicContact NZ-OD1 2.69Å; K787-D792 PolarHBondContact NZ-OD1 2.87Å
793	M	69.9	Low	69.2	Low	108 Å²	108	61.6 Å²	61.6	53%	0.532	31%	0.306	S	S	.	.			trans	-74	142.9	177.8	-159.9	63.9	72.6	0	0	111.6	C788 C791 F795	C788-M793 PolarHBondContact N-O 3.09Å; C791-M793 VanDerWaalsContact C-N 3.25Å; C791-M793 PolarHBondContact O-N 2.92Å; C791-M793 VanDerWaalsContact SG-CB 3.55Å; C791-M793 PolarHBondContact SG-N 2.94Å; M793-F795 HydrophobicContact CB-CE2 3.74Å; M793-F795 HydrophobicContact CB-CZ 3.91Å; M793-F795 HydrophobicContact CG-CE1 4.12Å; M793-F795 HydrophobicContact CG-CE2 3.56Å; M793-F795 HydrophobicContact CG-CZ 3.29Å
794	V	72.9	Confident	69.9	Low	44 Å²	44	58.6 Å²	58.6	27%	0.267	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.7	-170.4	-178.4	0	0	0	0	110.6	W785 Y786 K787 V877	W785-V794 HydrophobicContact CB-CG1 3.39Å; W785-V794 HydrophobicContact CD2-CG1 4.41Å; W785-V794 HydrophobicContact CE3-CG1 4.15Å; W785-V794 HydrophobicContact CG-CG1 4.17Å; Y786-V794 WeakPolarHBondContact O-CA 3.49Å; K787-V794 HydrophobicContact CB-CG2 4.13Å; K787-V794 HydrophobicContact CG-CG2 4Å; V794-V877 HydrophobicContact CG1-CG2 3.97Å
795	F	70.4	Confident	70.5	Confident	40 Å²	40	57.9 Å²	57.9	18%	0.175	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.4	-166.4	-62.6	-88.6	0	0	0	113.4	W785 Y786 M793 T797 G800 Q801 H804	W785-F795 WeakPolarHBondContact CA-O 3.49Å; W785-F795 WeakPolarHBondContact CB-O 3.32Å; W785-F795 VanDerWaalsContact CE3-C 3.45Å; Y786-F795 PolarHBondContact N-O 3.44Å; Y786-F795 PolarHBondContact O-N 2.72Å; M793-F795 HydrophobicContact CB-CE2 3.74Å; M793-F795 HydrophobicContact CB-CZ 3.91Å; M793-F795 HydrophobicContact CG-CE1 4.12Å; M793-F795 HydrophobicContact CG-CE2 3.56Å; M793-F795 HydrophobicContact CG-CZ 3.29Å; F795-T797 PolarHBondContact O-N 2.97Å; F795-G800 WeakPolarHBondContact CD1-O 3.45Å; F795-G800 WeakPolarHBondContact CE1-O 3.46Å; F795-Q801 HydrophobicContact CB-CB 4.02Å; F795-Q801 HydrophobicContact CD2-CB 3.95Å; F795-Q801 HydrophobicContact CD2-CG 4.07Å; F795-Q801 HydrophobicContact CG-CB 4.14Å; F795-H804 HydrophobicContact CE1-CB 3.77Å; F795-H804 HydrophobicContact CE2-CB 3.89Å; F795-H804 AromaticContact CE2-CD2 3.36Å; F795-H804 WeakPolarHBondContact CE2-CD2 3.31Å; F795-H804 AromaticContact CE2-CG 3.62Å; F795-H804 HydrophobicContact CZ-CB 3.32Å; F795-H804 AromaticContact CZ-CD2 3.46Å; F795-H804 VanDerWaalsContact CZ-CD2 3.46Å; F795-H804 WeakPolarHBondContact CZ-CD2 3.42Å; F795-H804 AromaticContact CZ-CG 3.19Å; F795-H804 AromaticContact CZ-ND1 3.77Å
796	R	63.3	Low	71	Confident	202 Å²	202	57.9 Å²	57.9	76%	0.762	29%	0.29	S	S	*	.	S	Bend	trans	-65.6	-17.4	178.5	58.9	174.5	176.2	176.1	-1.5	114.6	W785	W785-R796 HydrophobicContact CD2-CB 4.47Å; W785-R796 HydrophobicContact CE3-CB 4.17Å; W785-R796 VanDerWaalsContact CE3-N 3.35Å; W785-R796 HydrophobicContact CH2-CB 4.3Å; W785-R796 HydrophobicContact CZ3-CB 4.08Å
797	T	67.1	Low	71.5	Confident	67 Å²	67	61.9 Å²	61.9	41%	0.411	31%	0.31	S	S	.	.	S	Bend	trans	-144.8	151.3	-178.2	54.1	0	0	0	0	110.9	Y786 F795 L799 G800 Q801	Y786-T797 VanDerWaalsContact CD2-C 3.47Å; F795-T797 PolarHBondContact O-N 2.97Å; T797-L799 PolarHBondContact O-N 2.89Å; T797-G800 PolarHBondContact O-N 3.32Å; T797-G800 PolarHBondContact OG1-N 3.1Å; T797-Q801 PolarHBondContact O-N 2.89Å; T797-Q801 VanDerWaalsContact O-N 3.14Å
798	L	68	Low	71.9	Confident	58 Å²	58	65.2 Å²	65.2	30%	0.304	33%	0.325	S	S	.	.	H	α-helix	trans	-54.8	-38.9	170.4	-77.6	168.9	0	0	0	111.6	Y786 G800 Q801 K802 A870	Y786-L798 HydrophobicContact CD1-CD2 3.39Å; Y786-L798 HydrophobicContact CD1-CG 3.86Å; Y786-L798 HydrophobicContact CD2-CG 4.35Å; Y786-L798 HydrophobicContact CE1-CD1 4.25Å; Y786-L798 HydrophobicContact CE1-CD2 3.53Å; Y786-L798 HydrophobicContact CE1-CG 3.58Å; Y786-L798 HydrophobicContact CE2-CG 4.12Å; Y786-L798 HydrophobicContact CG-CD2 3.95Å; Y786-L798 HydrophobicContact CG-CG 4.24Å; L798-G800 PolarHBondContact O-N 3.42Å; L798-Q801 WeakPolarHBondContact O-CB 3.23Å; L798-Q801 PolarHBondContact O-N 3.23Å; L798-K802 VanDerWaalsContact O-CB 3.23Å; L798-K802 WeakPolarHBondContact O-CB 3.47Å; L798-K802 PolarHBondContact O-N 3.41Å; L798-A870 HydrophobicContact CD2-CB 4.49Å
799	L	75.5	Confident	71.9	Confident	119 Å²	119	66.3 Å²	66.3	62%	0.623	33%	0.33	S	S	*	.	H	α-helix	trans	-62.2	-41.7	179.2	-174.4	59.8	0	0	0	112.4	T797 K802 T803	T797-L799 PolarHBondContact O-N 2.89Å; L799-K802 HydrophobicContact CD1-CD 4.5Å; L799-K802 WeakPolarHBondContact O-CB 3.43Å; L799-K802 PolarHBondContact O-N 3.04Å; L799-T803 PolarHBondContact O-N 3.16Å; L799-T803 PolarHBondContact O-OG1 3.34Å
800	G	74.3	Confident	72.3	Confident	18 Å²	18	65.6 Å²	65.6	19%	0.186	33%	0.327	C	S	.	.	H	α-helix	trans	-71.1	-31.7	176.2	0	0	0	0	0	113.7	F795 T797 L798 T803 H804	F795-G800 WeakPolarHBondContact CD1-O 3.45Å; F795-G800 WeakPolarHBondContact CE1-O 3.46Å; T797-G800 PolarHBondContact O-N 3.32Å; T797-G800 PolarHBondContact OG1-N 3.1Å; L798-G800 PolarHBondContact O-N 3.42Å; G800-T803 PolarHBondContact O-OG1 3.29Å; G800-H804 WeakPolarHBondContact O-CB 2.89Å; G800-H804 PolarHBondContact O-N 2.98Å
801	Q	74.8	Confident	72.8	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-67.3	-39.6	170.9	-166.7	-157.5	17.3	0	0	110.9	K787 F795 T797 L798 V805 F866	K787-Q801 PolarHBondContact O-NE2 2.86Å; F795-Q801 HydrophobicContact CB-CB 4.02Å; F795-Q801 HydrophobicContact CD2-CB 3.95Å; F795-Q801 HydrophobicContact CD2-CG 4.07Å; F795-Q801 HydrophobicContact CG-CB 4.14Å; T797-Q801 PolarHBondContact O-N 2.89Å; T797-Q801 VanDerWaalsContact O-N 3.14Å; L798-Q801 WeakPolarHBondContact O-CB 3.23Å; L798-Q801 PolarHBondContact O-N 3.23Å; Q801-V805 WeakPolarHBondContact O-CB 3.2Å; Q801-V805 WeakPolarHBondContact O-CG2 3.46Å; Q801-V805 PolarHBondContact O-N 2.85Å; Q801-F866 HydrophobicContact CB-CZ 4.38Å; Q801-F866 VanDerWaalsContact CD-CZ 3.5Å; Q801-F866 HydrophobicContact CG-CE2 4.42Å; Q801-F866 HydrophobicContact CG-CZ 3.85Å
802	K	72.6	Confident	73.2	Confident	54 Å²	54	68.4 Å²	68.4	24%	0.235	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-52.6	179.8	-177.6	-173.7	176.8	-178.7	0	111.7	L798 L799 H804 V805 E806 F863 F866	L798-K802 VanDerWaalsContact O-CB 3.23Å; L798-K802 WeakPolarHBondContact O-CB 3.47Å; L798-K802 PolarHBondContact O-N 3.41Å; L799-K802 HydrophobicContact CD1-CD 4.5Å; L799-K802 WeakPolarHBondContact O-CB 3.43Å; L799-K802 PolarHBondContact O-N 3.04Å; K802-H804 VanDerWaalsContact C-N 3.32Å; K802-H804 PolarHBondContact O-N 3.34Å; K802-V805 PolarHBondContact O-N 2.92Å; K802-V805 VanDerWaalsContact O-N 3.09Å; K802-E806 WeakPolarHBondContact CE-OE1 3.48Å; K802-E806 WeakPolarHBondContact CG-OE1 3.48Å; K802-E806 WeakPolarHBondContact O-CG 3.49Å; K802-E806 PolarHBondContact O-N 3.09Å; K802-F863 HydrophobicContact CD-CD1 4.45Å; K802-F863 HydrophobicContact CD-CE1 4.15Å; K802-F863 HydrophobicContact CD-CZ 4.46Å; K802-F863 HydrophobicContact CG-CD1 4.28Å; K802-F863 HydrophobicContact CG-CE1 3.89Å; K802-F866 HydrophobicContact CB-CE1 4.18Å
803	T	79	Confident	74	Confident	60 Å²	60	63.6 Å²	63.6	37%	0.368	31%	0.314	S	S	.	.	H	α-helix	trans	-59.7	-43.6	177.6	56.7	0	0	0	0	111.4	L799 G800 V805 E806 E807	L799-T803 PolarHBondContact O-N 3.16Å; L799-T803 PolarHBondContact O-OG1 3.34Å; G800-T803 PolarHBondContact O-OG1 3.29Å; T803-V805 VanDerWaalsContact C-N 3.3Å; T803-V805 PolarHBondContact O-N 3.33Å; T803-E806 PolarHBondContact O-N 2.73Å; T803-E807 WeakPolarHBondContact O-CB 3.44Å; T803-E807 WeakPolarHBondContact O-CG 3.33Å; T803-E807 PolarHBondContact O-N 2.88Å
804	H	81	Confident	74.4	Confident	24 Å²	24	61 Å²	61	11%	0.111	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-38.7	174.6	165.2	69.2	0	0	0	113.5	C788 C791 F795 G800 K802 E807 K808 H809	C788-H804 PolarHBondContact SG-NE2 2.85Å; C788-H804 VanDerWaalsContact SG-NE2 3.39Å; C791-H804 PolarHBondContact SG-NE2 3.15Å; F795-H804 HydrophobicContact CE1-CB 3.77Å; F795-H804 HydrophobicContact CE2-CB 3.89Å; F795-H804 AromaticContact CE2-CD2 3.36Å; F795-H804 WeakPolarHBondContact CE2-CD2 3.31Å; F795-H804 AromaticContact CE2-CG 3.62Å; F795-H804 HydrophobicContact CZ-CB 3.32Å; F795-H804 AromaticContact CZ-CD2 3.46Å; F795-H804 VanDerWaalsContact CZ-CD2 3.46Å; F795-H804 WeakPolarHBondContact CZ-CD2 3.42Å; F795-H804 AromaticContact CZ-CG 3.19Å; F795-H804 AromaticContact CZ-ND1 3.77Å; G800-H804 WeakPolarHBondContact O-CB 2.89Å; G800-H804 PolarHBondContact O-N 2.98Å; K802-H804 VanDerWaalsContact C-N 3.32Å; K802-H804 PolarHBondContact O-N 3.34Å; H804-E807 PolarHBondContact O-N 3.26Å; H804-K808 WeakPolarHBondContact O-CB 2.98Å; H804-K808 PolarHBondContact O-N 3.4Å; H804-H809 AromaticContact CE1-CD2 3.98Å; H804-H809 AromaticContact CE1-NE2 3.77Å; H804-H809 AromaticContact NE2-CD2 3.5Å; H804-H809 AromaticContact NE2-NE2 3.41Å; H804-H809 PolarHBondContact NE2-NE2 3.27Å
805	V	74.3	Confident	74.7	Confident	2 Å²	2	62 Å²	62	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-73.9	-35.5	177.2	165	0	0	0	0	111.9	C788 Q801 K802 T803 H809 C810 F862 F866	C788-V805 VanDerWaalsContact SG-CG2 3.6Å; Q801-V805 WeakPolarHBondContact O-CB 3.2Å; Q801-V805 WeakPolarHBondContact O-CG2 3.46Å; Q801-V805 PolarHBondContact O-N 2.85Å; K802-V805 PolarHBondContact O-N 2.92Å; K802-V805 VanDerWaalsContact O-N 3.09Å; T803-V805 VanDerWaalsContact C-N 3.3Å; T803-V805 PolarHBondContact O-N 3.33Å; V805-H809 HydrophobicContact CG1-CB 4.33Å; V805-H809 CarbonylContact O-C 3.57Å; V805-H809 WeakPolarHBondContact O-CA 3.41Å; V805-H809 PolarHBondContact O-N 2.88Å; V805-H809 VanDerWaalsContact O-N 3.15Å; V805-C810 PolarHBondContact O-N 3.44Å; V805-F862 HydrophobicContact CG1-CZ 3.88Å; V805-F866 HydrophobicContact CB-CD2 4.48Å; V805-F866 HydrophobicContact CB-CE2 4.12Å; V805-F866 HydrophobicContact CG1-CD2 3.97Å; V805-F866 HydrophobicContact CG1-CE2 4.11Å; V805-F866 HydrophobicContact CG2-CD2 4.4Å; V805-F866 HydrophobicContact CG2-CE2 3.75Å; V805-F866 HydrophobicContact CG2-CZ 4.33Å
806	E	76.3	Confident	75.2	Confident	58 Å²	58	60.2 Å²	60.2	27%	0.271	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-42.6	168.8	-69.7	-177.7	-117	0	0	111.8	K802 T803 K859 F862 F863	K802-E806 WeakPolarHBondContact CE-OE1 3.48Å; K802-E806 WeakPolarHBondContact CG-OE1 3.48Å; K802-E806 WeakPolarHBondContact O-CG 3.49Å; K802-E806 PolarHBondContact O-N 3.09Å; T803-E806 PolarHBondContact O-N 2.73Å; E806-K859 WeakPolarHBondContact OE2-CE 3.06Å; E806-K859 IonicContact OE2-NZ 2.59Å; E806-K859 PolarHBondContact OE2-NZ 3.44Å; E806-F862 HydrophobicContact CG-CE1 4.34Å; E806-F863 VanDerWaalsContact CD-CZ 3.42Å; E806-F863 HydrophobicContact CG-CE1 3.74Å; E806-F863 HydrophobicContact CG-CZ 4.13Å; E806-F863 VanDerWaalsContact OE1-CE1 3.29Å; E806-F863 WeakPolarHBondContact OE1-CE1 3.37Å; E806-F863 WeakPolarHBondContact OE1-CZ 3.39Å
807	E	75.1	Confident	75.8	Confident	120 Å²	120	52.2 Å²	52.2	56%	0.561	27%	0.267	S	S	*	.	H	α-helix	trans	-79.2	-38.2	-176.1	-75	174.3	-133.5	0	0	115.5	T803 H804	T803-E807 WeakPolarHBondContact O-CB 3.44Å; T803-E807 WeakPolarHBondContact O-CG 3.33Å; T803-E807 PolarHBondContact O-N 2.88Å; H804-E807 PolarHBondContact O-N 3.26Å
808	K	71.9	Confident	76.1	Confident	128 Å²	128	52.9 Å²	52.9	56%	0.557	27%	0.271	S	S	*	.	H	α-helix	trans	-115.4	-11.7	-167.2	-50.9	-55	171	-141.4	0	113.8	H804	H804-K808 WeakPolarHBondContact O-CB 2.98Å; H804-K808 PolarHBondContact O-N 3.4Å
809	H	73.5	Confident	76.7	Confident	25 Å²	25	51.6 Å²	51.6	12%	0.116	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.3	-4.9	-171.5	-65.1	-57.5	0	0	0	115.5	C788 H790 C791 H804 V805 S851	C788-H809 PolarHBondContact SG-CD2 3.12Å; H790-H809 HydrophobicContact CB-CB 4.19Å; H790-H809 VanDerWaalsContact CB-ND1 3.34Å; H790-H809 WeakPolarHBondContact CB-ND1 3.47Å; H790-H809 AromaticContact CD2-CG 3.9Å; C791-H809 PolarHBondContact SG-NE2 3.15Å; C791-H809 VanDerWaalsContact SG-NE2 3.43Å; H804-H809 AromaticContact CE1-CD2 3.98Å; H804-H809 AromaticContact CE1-NE2 3.77Å; H804-H809 AromaticContact NE2-CD2 3.5Å; H804-H809 AromaticContact NE2-NE2 3.41Å; H804-H809 PolarHBondContact NE2-NE2 3.27Å; V805-H809 HydrophobicContact CG1-CB 4.33Å; V805-H809 CarbonylContact O-C 3.57Å; V805-H809 WeakPolarHBondContact O-CA 3.41Å; V805-H809 PolarHBondContact O-N 2.88Å; V805-H809 VanDerWaalsContact O-N 3.15Å; H809-S851 VanDerWaalsContact CA-OG 3.24Å; H809-S851 WeakPolarHBondContact CA-OG 3.41Å; H809-S851 WeakPolarHBondContact CB-OG 3.47Å; H809-S851 PolarHBondContact ND1-OG 2.84Å; H809-S851 PolarHBondContact O-N 3.39Å; H809-S851 PolarHBondContact O-OG 2.99Å
810	C	75.9	Confident	76.7	Confident	19 Å²	19	52.2 Å²	52.2	13%	0.128	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.3	167.5	-172.4	0	0	0	0	109.7	V805 K849 F862	V805-C810 PolarHBondContact O-N 3.44Å; C810-K849 WeakPolarHBondContact CA-O 3.4Å; C810-F862 HydrophobicContact CB-CE1 4.25Å; C810-F862 HydrophobicContact CB-CE2 4.2Å; C810-F862 HydrophobicContact CB-CZ 3.67Å
811	E	76.8	Confident	76.9	Confident	102 Å²	102	54.6 Å²	54.6	48%	0.477	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	120.5	160.7	-69	177.1	-179.2	0	0	107.6	K849	E811-K849 HydrophobicContact CB-CB 4.2Å; E811-K849 HydrophobicContact CB-CD 4.39Å; E811-K849 PolarHBondContact N-O 3.17Å; E811-K849 WeakPolarHBondContact O-CB 3Å; E811-K849 PolarHBondContact O-N 2.87Å; E811-K849 IonicContact OE1-NZ 3.47Å; E811-K849 WeakPolarHBondContact OE2-CD 3.14Å; E811-K849 WeakPolarHBondContact OE2-CE 3.31Å; E811-K849 IonicContact OE2-NZ 2.9Å; E811-K849 PolarHBondContact OE2-NZ 3.12Å
812	V	79.7	Confident	77.3	Confident	59 Å²	59	57.1 Å²	57.1	36%	0.358	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	128.2	170.4	-178.1	0	0	0	0	108.2	Y814 L846 F848	V812-Y814 HydrophobicContact CG1-CE2 4.31Å; V812-L846 HydrophobicContact CG1-CD2 3.92Å; V812-L846 HydrophobicContact CG1-CG 4.14Å; V812-F848 HydrophobicContact CG2-CD1 4.08Å; V812-F848 HydrophobicContact CG2-CE1 4.12Å
813	L	81.1	Confident	77.6	Confident	28 Å²	28	57 Å²	57	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	147.1	176.6	-60.6	176.1	0	0	0	109.8	A822 F823 K824 V847 K849	L813-A822 HydrophobicContact CB-CB 4.44Å; L813-F823 CarbonylContact C-O 3.47Å; L813-F823 WeakPolarHBondContact CA-O 3.36Å; L813-K824 HydrophobicContact CD2-CG 3.99Å; L813-V847 PolarHBondContact N-O 3.34Å; L813-V847 PolarHBondContact O-N 2.8Å; L813-K849 HydrophobicContact CD1-CB 4.16Å; L813-K849 HydrophobicContact CD1-CD 3.91Å
814	Y	79.1	Confident	77.5	Confident	54 Å²	54	62.5 Å²	62.5	21%	0.212	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	106.1	178.4	-63.3	-99.1	0	0	0	107.5	V812 A822 F823 P844 L846	V812-Y814 HydrophobicContact CG1-CE2 4.31Å; Y814-A822 CarbonylContact O-C 3.58Å; Y814-A822 WeakPolarHBondContact O-CA 3.49Å; Y814-F823 PolarHBondContact N-O 3.44Å; Y814-F823 PolarHBondContact O-N 3.42Å; Y814-P844 HydrophobicContact CD1-CB 4.27Å; Y814-P844 HydrophobicContact CD1-CG 4.22Å; Y814-L846 HydrophobicContact CD1-CD1 3.94Å; Y814-L846 HydrophobicContact CD1-CG 4.48Å; Y814-L846 HydrophobicContact CE1-CD1 3.76Å; Y814-L846 HydrophobicContact CE1-CG 4.3Å
815	K	78.8	Confident	77.4	Confident	65 Å²	65	64.9 Å²	64.9	28%	0.283	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.2	172.8	69.6	174.9	169.8	120.2	0	110.3	V821 A822 Q845 V847	K815-V821 WeakPolarHBondContact CA-O 3.46Å; K815-A822 HydrophobicContact CB-CB 4.23Å; K815-Q845 HydrophobicContact CD-CB 4.48Å; K815-Q845 VanDerWaalsContact CE-OE1 3.26Å; K815-Q845 HydrophobicContact CG-CB 3.87Å; K815-Q845 WeakPolarHBondContact CG-O 3.34Å; K815-Q845 PolarHBondContact N-O 2.69Å; K815-Q845 PolarHBondContact O-N 3.42Å; K815-Q845 VanDerWaalsContact O-N 3.07Å; K815-V847 HydrophobicContact CB-CG2 4.24Å; K815-V847 HydrophobicContact CD-CG2 3.6Å; K815-V847 HydrophobicContact CG-CG2 3.76Å
816	C	81.1	Confident	77.7	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.02	36%	0.356	C	S	.	.			trans	-59.2	144.5	165.8	-174.3	0	0	0	0	109.4	V818 C819 V821 H837	C816-V818 VanDerWaalsContact C-N 3.32Å; C816-V818 PolarHBondContact SG-N 3.27Å; C816-V818 VanDerWaalsContact SG-N 3.37Å; C816-C819 WeakPolarHBondContact CB-O 3.12Å; C816-C819 VanDerWaalsContact CB-SG 3.58Å; C816-V821 PolarHBondContact N-O 2.93Å; C816-H837 PolarHBondContact SG-CD2 2.91Å
817	S	75.9	Confident	77.8	Confident	33 Å²	33	69 Å²	69	23%	0.231	37%	0.37	C	S	.	.	S	Bend	trans	-77.4	-21.5	173.8	55	0	0	0	0	112.6	Q842	S817-Q842 WeakPolarHBondContact OG-CB 3.18Å; S817-Q842 PolarHBondContact OG-OE1 2.78Å
818	V	74.3	Confident	78.2	Confident	82 Å²	82	64.4 Å²	64.4	50%	0.497	36%	0.356	S	S	.	.	S	Bend	trans	-105.9	-18.8	-172.8	-167.6	0	0	0	0	112.8	C816 L833 H837	C816-V818 VanDerWaalsContact C-N 3.32Å; C816-V818 PolarHBondContact SG-N 3.27Å; C816-V818 VanDerWaalsContact SG-N 3.37Å; V818-L833 HydrophobicContact CG2-CD1 4.3Å; V818-H837 HydrophobicContact CB-CB 4.43Å; V818-H837 WeakPolarHBondContact CG1-ND1 3.38Å; V818-H837 HydrophobicContact CG2-CB 4.23Å
819	C	79.6	Confident	78.6	Confident	30 Å²	30	58.4 Å²	58.4	20%	0.203	33%	0.33	C	S	.	.	S	Bend	trans	-141.8	161.9	-179.2	89	0	0	0	0	112.3	C816 V821 H832	C816-C819 WeakPolarHBondContact CB-O 3.12Å; C816-C819 VanDerWaalsContact CB-SG 3.58Å; C819-V821 PolarHBondContact O-N 2.93Å; C819-V821 VanDerWaalsContact O-N 3.15Å; C819-H832 PolarHBondContact SG-NE2 3.43Å
820	P	75.8	Confident	78.9	Confident	133 Å²	133	61 Å²	61	86%	0.864	34%	0.342	S	S	*	.	S	Bend	trans	-76.5	4.7	-174.4	31.8	-36.7	0	0	0	114.8
821	V	78.9	Confident	79.2	Confident	68 Å²	68	64 Å²	64	41%	0.412	36%	0.359	S	S	.	.			trans	-78.1	136.1	-177.1	-173.4	0	0	0	0	110.8	K815 C816 C819 F823	K815-V821 WeakPolarHBondContact CA-O 3.46Å; C816-V821 PolarHBondContact N-O 2.93Å; C819-V821 PolarHBondContact O-N 2.93Å; C819-V821 VanDerWaalsContact O-N 3.15Å; V821-F823 HydrophobicContact CB-CE2 4.05Å; V821-F823 HydrophobicContact CB-CZ 4.26Å; V821-F823 HydrophobicContact CG1-CD2 4.34Å; V821-F823 HydrophobicContact CG1-CE1 4.18Å; V821-F823 HydrophobicContact CG1-CE2 3.57Å; V821-F823 HydrophobicContact CG1-CZ 3.46Å; V821-F823 VanDerWaalsContact CG1-CZ 3.46Å
822	A	82.3	Confident	79.4	Confident	53 Å²	53	60.5 Å²	60.5	44%	0.438	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.7	176.9	0	0	0	0	0	112	L813 Y814 K815	L813-A822 HydrophobicContact CB-CB 4.44Å; Y814-A822 CarbonylContact O-C 3.58Å; Y814-A822 WeakPolarHBondContact O-CA 3.49Å; K815-A822 HydrophobicContact CB-CB 4.23Å
823	F	80.2	Confident	79.5	Confident	51 Å²	51	58.7 Å²	58.7	22%	0.224	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	157.7	-175.9	-59.5	-92.1	0	0	0	111	L813 Y814 V821 C829 H832	L813-F823 CarbonylContact C-O 3.47Å; L813-F823 WeakPolarHBondContact CA-O 3.36Å; Y814-F823 PolarHBondContact N-O 3.44Å; Y814-F823 PolarHBondContact O-N 3.42Å; V821-F823 HydrophobicContact CB-CE2 4.05Å; V821-F823 HydrophobicContact CB-CZ 4.26Å; V821-F823 HydrophobicContact CG1-CD2 4.34Å; V821-F823 HydrophobicContact CG1-CE1 4.18Å; V821-F823 HydrophobicContact CG1-CE2 3.57Å; V821-F823 HydrophobicContact CG1-CZ 3.46Å; V821-F823 VanDerWaalsContact CG1-CZ 3.46Å; F823-C829 HydrophobicContact CB-CB 4.05Å; F823-C829 HydrophobicContact CD2-CB 3.67Å; F823-C829 HydrophobicContact CG-CB 4.06Å; F823-H832 HydrophobicContact CE1-CB 4.02Å; F823-H832 HydrophobicContact CE2-CB 3.72Å; F823-H832 AromaticContact CE2-CD2 3.55Å; F823-H832 AromaticContact CE2-CG 3.52Å; F823-H832 HydrophobicContact CZ-CB 3.39Å; F823-H832 AromaticContact CZ-CD2 3.83Å; F823-H832 AromaticContact CZ-CG 3.31Å; F823-H832 AromaticContact CZ-ND1 3.64Å
824	K	76.4	Confident	79.4	Confident	176 Å²	176	63.2 Å²	63.2	77%	0.765	35%	0.35	S	S	*	.	S	Bend	trans	-86.1	-14.4	178.2	-65.4	-178	179.1	179.8	0	114	L813	L813-K824 HydrophobicContact CD2-CG 3.99Å
825	T	78.8	Confident	79.4	Confident	74 Å²	74	65.9 Å²	65.9	45%	0.454	37%	0.368	S	S	.	.	S	Bend	trans	-130.6	152.9	-178.4	54.6	0	0	0	0	110	G828 C829	T825-G828 PolarHBondContact OG1-N 2.8Å; T825-C829 PolarHBondContact O-N 3.06Å
826	S	79.4	Confident	79.1	Confident	37 Å²	37	70.2 Å²	70.2	26%	0.259	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-52.1	178.2	-167.5	0	0	0	0	110.3	G828 C829 E830	S826-G828 VanDerWaalsContact C-N 3.29Å; S826-G828 PolarHBondContact O-N 3.09Å; S826-C829 CarbonylContact O-C 3.58Å; S826-C829 WeakPolarHBondContact O-CA 3.39Å; S826-C829 WeakPolarHBondContact O-CB 3.35Å; S826-C829 PolarHBondContact O-N 3.47Å; S826-E830 PolarHBondContact O-N 3.04Å
827	D	80.1	Confident	78.9	Confident	108 Å²	108	72.3 Å²	72.3	58%	0.578	40%	0.396	S	S	*	.	H	α-helix	trans	-59.9	-37.3	-176.5	-13.7	-54.5	0	0	0	111.7	C829 E830 V831	D827-C829 VanDerWaalsContact C-N 3.33Å; D827-C829 PolarHBondContact O-N 2.93Å; D827-E830 PolarHBondContact O-N 2.96Å; D827-V831 VanDerWaalsContact O-CB 3.3Å; D827-V831 WeakPolarHBondContact O-CB 3.23Å; D827-V831 VanDerWaalsContact O-CG2 3.25Å; D827-V831 WeakPolarHBondContact O-CG2 3.38Å; D827-V831 PolarHBondContact O-N 3.13Å
828	G	82.1	Confident	78.5	Confident	25 Å²	25	79 Å²	79	26%	0.258	42%	0.421	S	S	.	.	H	α-helix	trans	-63.4	-37.4	173.3	0	0	0	0	0	112.9	T825 S826 H832	T825-G828 PolarHBondContact OG1-N 2.8Å; S826-G828 VanDerWaalsContact C-N 3.29Å; S826-G828 PolarHBondContact O-N 3.09Å; G828-H832 VanDerWaalsContact O-CB 3.29Å; G828-H832 WeakPolarHBondContact O-CB 3.5Å; G828-H832 PolarHBondContact O-N 2.83Å
829	C	80.3	Confident	77.6	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.007	44%	0.441	C	S	.	.	H	α-helix	trans	-75	-35	173.8	-165.1	0	0	0	0	112.5	F823 T825 S826 D827 H832 L833 P844	F823-C829 HydrophobicContact CB-CB 4.05Å; F823-C829 HydrophobicContact CD2-CB 3.67Å; F823-C829 HydrophobicContact CG-CB 4.06Å; T825-C829 PolarHBondContact O-N 3.06Å; S826-C829 CarbonylContact O-C 3.58Å; S826-C829 WeakPolarHBondContact O-CA 3.39Å; S826-C829 WeakPolarHBondContact O-CB 3.35Å; S826-C829 PolarHBondContact O-N 3.47Å; D827-C829 VanDerWaalsContact C-N 3.33Å; D827-C829 PolarHBondContact O-N 2.93Å; C829-H832 PolarHBondContact O-N 3.37Å; C829-L833 WeakPolarHBondContact O-CB 3.19Å; C829-L833 PolarHBondContact O-N 3.48Å; C829-P844 HydrophobicContact CB-CB 4.12Å
830	E	79.4	Confident	76.3	Confident	80 Å²	80	83.3 Å²	83.3	37%	0.374	46%	0.455	S	S	.	.	H	α-helix	trans	-73	-42.8	-180	-166.3	-175.1	144.2	0	0	111.9	S826 D827 H832 L833 K834	S826-E830 PolarHBondContact O-N 3.04Å; D827-E830 PolarHBondContact O-N 2.96Å; E830-H832 VanDerWaalsContact C-N 3.31Å; E830-H832 PolarHBondContact O-N 3.29Å; E830-L833 PolarHBondContact O-N 3.35Å; E830-K834 HydrophobicContact CG-CD 4.39Å; E830-K834 WeakPolarHBondContact O-CB 3.28Å; E830-K834 WeakPolarHBondContact O-CG 3.4Å; E830-K834 PolarHBondContact O-N 3.12Å; E830-K834 WeakPolarHBondContact OE1-CE 3.49Å; E830-K834 IonicContact OE1-NZ 3.33Å; E830-K834 PolarHBondContact OE1-NZ 3.19Å
831	V	82.1	Confident	75.2	Confident	81 Å²	81	89.3 Å²	89.3	49%	0.491	46%	0.461	S	S	.	.	H	α-helix	trans	-61.5	-41.1	170.9	170.5	0	0	0	0	110.3	D827 N835	D827-V831 VanDerWaalsContact O-CB 3.3Å; D827-V831 WeakPolarHBondContact O-CB 3.23Å; D827-V831 VanDerWaalsContact O-CG2 3.25Å; D827-V831 WeakPolarHBondContact O-CG2 3.38Å; D827-V831 PolarHBondContact O-N 3.13Å; V831-N835 WeakPolarHBondContact CG1-ND2 3.39Å; V831-N835 WeakPolarHBondContact O-CB 3.25Å; V831-N835 PolarHBondContact O-N 2.99Å; V831-N835 PolarHBondContact O-ND2 2.87Å
832	H	82.6	Confident	74.3	Confident	29 Å²	29	90.4 Å²	90.4	13%	0.134	46%	0.461	C	S	.	.	H	α-helix	trans	-60.1	-46.8	171.6	165.2	78.5	0	0	0	112.2	C819 F823 G828 C829 E830 N835 K836 H837	C819-H832 PolarHBondContact SG-NE2 3.43Å; F823-H832 HydrophobicContact CE1-CB 4.02Å; F823-H832 HydrophobicContact CE2-CB 3.72Å; F823-H832 AromaticContact CE2-CD2 3.55Å; F823-H832 AromaticContact CE2-CG 3.52Å; F823-H832 HydrophobicContact CZ-CB 3.39Å; F823-H832 AromaticContact CZ-CD2 3.83Å; F823-H832 AromaticContact CZ-CG 3.31Å; F823-H832 AromaticContact CZ-ND1 3.64Å; G828-H832 VanDerWaalsContact O-CB 3.29Å; G828-H832 WeakPolarHBondContact O-CB 3.5Å; G828-H832 PolarHBondContact O-N 2.83Å; C829-H832 PolarHBondContact O-N 3.37Å; E830-H832 VanDerWaalsContact C-N 3.31Å; E830-H832 PolarHBondContact O-N 3.29Å; H832-N835 PolarHBondContact O-N 3.24Å; H832-K836 WeakPolarHBondContact O-CB 3.42Å; H832-K836 PolarHBondContact O-N 3.25Å; H832-H837 AromaticContact CE1-NE2 3.77Å; H832-H837 AromaticContact NE2-CD2 3.52Å; H832-H837 AromaticContact NE2-NE2 3.34Å; H832-H837 PolarHBondContact NE2-NE2 3.36Å
833	L	80.5	Confident	73.1	Confident	21 Å²	21	93.3 Å²	93.3	11%	0.11	47%	0.474	C	S	.	.	H	α-helix	trans	-61.6	-50	179.3	-163.7	80	0	0	0	110.9	V818 C829 E830 N835 H837 Q842	V818-L833 HydrophobicContact CG2-CD1 4.3Å; C829-L833 WeakPolarHBondContact O-CB 3.19Å; C829-L833 PolarHBondContact O-N 3.48Å; E830-L833 PolarHBondContact O-N 3.35Å; L833-N835 VanDerWaalsContact C-N 3.31Å; L833-N835 PolarHBondContact O-N 3.24Å; L833-H837 HydrophobicContact CD1-CB 3.97Å; L833-H837 HydrophobicContact CG-CB 4.34Å; L833-H837 CarbonylContact O-C 3.59Å; L833-H837 VanDerWaalsContact O-CA 3.23Å; L833-H837 WeakPolarHBondContact O-CA 3.25Å; L833-H837 WeakPolarHBondContact O-CB 3.45Å; L833-H837 PolarHBondContact O-N 2.99Å; L833-Q842 WeakPolarHBondContact CD2-O 3.49Å
834	K	79.5	Confident	72.4	Confident	124 Å²	124	92.3 Å²	92.3	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-58.2	-39.4	176.5	-72.5	173.9	-179.9	171.6	0	112.7	E830 K838	E830-K834 HydrophobicContact CG-CD 4.39Å; E830-K834 WeakPolarHBondContact O-CB 3.28Å; E830-K834 WeakPolarHBondContact O-CG 3.4Å; E830-K834 PolarHBondContact O-N 3.12Å; E830-K834 WeakPolarHBondContact OE1-CE 3.49Å; E830-K834 IonicContact OE1-NZ 3.33Å; E830-K834 PolarHBondContact OE1-NZ 3.19Å; K834-K838 WeakPolarHBondContact O-CG 3.44Å
835	N	79.4	Confident	72.1	Confident	110 Å²	110	88.2 Å²	88.2	59%	0.588	46%	0.456	S	S	*	.	H	α-helix	trans	-88.9	-26.3	-173.8	-68.1	-11.1	0	0	0	114.8	V831 H832 L833	V831-N835 WeakPolarHBondContact CG1-ND2 3.39Å; V831-N835 WeakPolarHBondContact O-CB 3.25Å; V831-N835 PolarHBondContact O-N 2.99Å; V831-N835 PolarHBondContact O-ND2 2.87Å; H832-N835 PolarHBondContact O-N 3.24Å; L833-N835 VanDerWaalsContact C-N 3.31Å; L833-N835 PolarHBondContact O-N 3.24Å
836	K	72.9	Confident	71.9	Confident	156 Å²	156	88 Å²	88	68%	0.678	45%	0.451	S	S	*	.	H	α-helix	trans	-114.4	-19	-177.3	-63	-60	-174	-177.9	0	114.3	H832	H832-K836 WeakPolarHBondContact O-CB 3.42Å; H832-K836 PolarHBondContact O-N 3.25Å
837	H	77.1	Confident	71.9	Confident	47 Å²	47	87 Å²	87	22%	0.218	44%	0.443	C	S	.	.	S	Bend	trans	-132.5	56.5	-176.5	-56.6	-62.6	0	0	0	110.1	C816 V818 H832 L833 S839	C816-H837 PolarHBondContact SG-CD2 2.91Å; V818-H837 HydrophobicContact CB-CB 4.43Å; V818-H837 WeakPolarHBondContact CG1-ND1 3.38Å; V818-H837 HydrophobicContact CG2-CB 4.23Å; H832-H837 AromaticContact CE1-NE2 3.77Å; H832-H837 AromaticContact NE2-CD2 3.52Å; H832-H837 AromaticContact NE2-NE2 3.34Å; H832-H837 PolarHBondContact NE2-NE2 3.36Å; L833-H837 HydrophobicContact CD1-CB 3.97Å; L833-H837 HydrophobicContact CG-CB 4.34Å; L833-H837 CarbonylContact O-C 3.59Å; L833-H837 VanDerWaalsContact O-CA 3.23Å; L833-H837 WeakPolarHBondContact O-CA 3.25Å; L833-H837 WeakPolarHBondContact O-CB 3.45Å; L833-H837 PolarHBondContact O-N 2.99Å; H837-S839 PolarHBondContact O-N 2.86Å
838	K	67.3	Low	71.7	Confident	174 Å²	174	82.7 Å²	82.7	76%	0.757	42%	0.42	S	S	*	.			trans	-51.3	133	178.3	-71.6	-175.7	176	-174.9	0	110.6	K834	K834-K838 WeakPolarHBondContact O-CG 3.44Å
839	S	55.8	Low	71.3	Confident	129 Å²	129	84.7 Å²	84.7	90%	0.902	42%	0.422	S	S	*	.	S	Bend	trans	72	54.7	169.6	-51.8	0	0	0	0	117.9	H837	H837-S839 PolarHBondContact O-N 2.86Å
840	S	51.4	Low	71.1	Confident	73 Å²	73	84.8 Å²	84.8	51%	0.51	42%	0.422	S	S	.	.			trans	-146.7	139.6	149.3	-155.7	0	0	0	0	112.8	Q842	S840-Q842 PolarHBondContact O-N 3.24Å
841	R	53	Low	70.7	Confident	259 Å²	259	84.1 Å²	84.1	98%	0.977	43%	0.426	S	S	*	.			trans	-77.5	43.4	179.3	-68.2	-175.9	174.8	-178.6	-1.8	112.5
842	Q	59.2	Low	69.8	Low	90 Å²	90	83 Å²	83	42%	0.421	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-89.4	127.4	179.1	-65.7	-174.5	-0	0	0	110.5	S817 L833 S840	S817-Q842 WeakPolarHBondContact OG-CB 3.18Å; S817-Q842 PolarHBondContact OG-OE1 2.78Å; L833-Q842 WeakPolarHBondContact CD2-O 3.49Å; S840-Q842 PolarHBondContact O-N 3.24Å
843	T	57	Low	68.9	Low	115 Å²	115	90.2 Å²	90.2	71%	0.706	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-76.4	147	175.6	47.1	0	0	0	0	111.2	Q845	T843-Q845 PolarHBondContact O-N 3.14Å
844	P	65.8	Low	68.6	Low	29 Å²	29	90.7 Å²	90.7	19%	0.188	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-63.3	129.1	176.7	27.3	-34.8	0	0	0	110	Y814 C829 L846	Y814-P844 HydrophobicContact CD1-CB 4.27Å; Y814-P844 HydrophobicContact CD1-CG 4.22Å; C829-P844 HydrophobicContact CB-CB 4.12Å; P844-L846 PolarHBondContact O-N 3.24Å
845	Q	70.9	Confident	68.4	Low	90 Å²	90	90.1 Å²	90.1	42%	0.421	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.5	-177.5	-67.1	-175.2	8.5	0	0	109.8	K815 T843	K815-Q845 HydrophobicContact CD-CB 4.48Å; K815-Q845 VanDerWaalsContact CE-OE1 3.26Å; K815-Q845 HydrophobicContact CG-CB 3.87Å; K815-Q845 WeakPolarHBondContact CG-O 3.34Å; K815-Q845 PolarHBondContact N-O 2.69Å; K815-Q845 PolarHBondContact O-N 3.42Å; K815-Q845 VanDerWaalsContact O-N 3.07Å; T843-Q845 PolarHBondContact O-N 3.14Å
846	L	75.3	Confident	68.3	Low	70 Å²	70	86.3 Å²	86.3	37%	0.366	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.1	174.2	-90.7	72.9	0	0	0	111.3	V812 Y814 P844 F848	V812-L846 HydrophobicContact CG1-CD2 3.92Å; V812-L846 HydrophobicContact CG1-CG 4.14Å; Y814-L846 HydrophobicContact CD1-CD1 3.94Å; Y814-L846 HydrophobicContact CD1-CG 4.48Å; Y814-L846 HydrophobicContact CE1-CD1 3.76Å; Y814-L846 HydrophobicContact CE1-CG 4.3Å; P844-L846 PolarHBondContact O-N 3.24Å; L846-F848 HydrophobicContact CB-CE2 4.13Å; L846-F848 HydrophobicContact CB-CZ 4.28Å; L846-F848 HydrophobicContact CD2-CE1 4.34Å; L846-F848 HydrophobicContact CD2-CE2 4.46Å; L846-F848 HydrophobicContact CD2-CZ 3.78Å
847	V	78.7	Confident	68.2	Low	15 Å²	15	83.7 Å²	83.7	9%	0.091	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.4	168.8	178.8	0	0	0	0	108.6	L813 K815 L855 F856	L813-V847 PolarHBondContact N-O 3.34Å; L813-V847 PolarHBondContact O-N 2.8Å; K815-V847 HydrophobicContact CB-CG2 4.24Å; K815-V847 HydrophobicContact CD-CG2 3.6Å; K815-V847 HydrophobicContact CG-CG2 3.76Å; V847-L855 HydrophobicContact CG1-CB 3.89Å; V847-L855 HydrophobicContact CG1-CD2 4.05Å; V847-L855 HydrophobicContact CG1-CG 4.44Å; V847-F856 CarbonylContact C-O 3.12Å; V847-F856 WeakPolarHBondContact CA-O 3.23Å
848	F	75.3	Confident	68.1	Low	18 Å²	18	87.7 Å²	87.7	8%	0.079	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	112.9	174.5	-57.7	-87.8	0	0	0	108.2	V812 L846 F856 K859 F862	V812-F848 HydrophobicContact CG2-CD1 4.08Å; V812-F848 HydrophobicContact CG2-CE1 4.12Å; L846-F848 HydrophobicContact CB-CE2 4.13Å; L846-F848 HydrophobicContact CB-CZ 4.28Å; L846-F848 HydrophobicContact CD2-CE1 4.34Å; L846-F848 HydrophobicContact CD2-CE2 4.46Å; L846-F848 HydrophobicContact CD2-CZ 3.78Å; F848-F856 HydrophobicContact CB-CB 4.39Å; F848-F856 PolarHBondContact N-O 3.47Å; F848-F856 PolarHBondContact O-N 2.97Å; F848-K859 HydrophobicContact CD1-CG 4.47Å; F848-K859 HydrophobicContact CD2-CB 4.42Å; F848-K859 HydrophobicContact CE1-CB 4.41Å; F848-K859 HydrophobicContact CE1-CD 4.31Å; F848-K859 HydrophobicContact CE1-CG 3.92Å; F848-K859 HydrophobicContact CE2-CB 3.75Å; F848-K859 HydrophobicContact CE2-CG 4.15Å; F848-K859 HydrophobicContact CZ-CB 3.74Å; F848-K859 HydrophobicContact CZ-CD 4.22Å; F848-K859 HydrophobicContact CZ-CG 3.75Å; F848-F862 HydrophobicContact CB-CB 4.01Å; F848-F862 HydrophobicContact CB-CD2 4.2Å; F848-F862 HydrophobicContact CB-CG 4.05Å; F848-F862 HydrophobicContact CG-CB 4.44Å
849	K	74.1	Confident	68.3	Low	68 Å²	68	83.9 Å²	83.9	30%	0.296	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	112.8	177.9	173.5	-177.6	163.6	-156.2	0	109.7	C810 E811 L813 L855	C810-K849 WeakPolarHBondContact CA-O 3.4Å; E811-K849 HydrophobicContact CB-CB 4.2Å; E811-K849 HydrophobicContact CB-CD 4.39Å; E811-K849 PolarHBondContact N-O 3.17Å; E811-K849 WeakPolarHBondContact O-CB 3Å; E811-K849 PolarHBondContact O-N 2.87Å; E811-K849 IonicContact OE1-NZ 3.47Å; E811-K849 WeakPolarHBondContact OE2-CD 3.14Å; E811-K849 WeakPolarHBondContact OE2-CE 3.31Å; E811-K849 IonicContact OE2-NZ 2.9Å; E811-K849 PolarHBondContact OE2-NZ 3.12Å; L813-K849 HydrophobicContact CD1-CB 4.16Å; L813-K849 HydrophobicContact CD1-CD 3.91Å; K849-L855 HydrophobicContact CB-CD2 3.61Å; K849-L855 HydrophobicContact CD-CD2 4.24Å; K849-L855 HydrophobicContact CG-CD2 3.71Å
850	C	76.5	Confident	69.2	Low	2 Å²	2	83.6 Å²	83.6	1%	0.014	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	147.5	172.1	178.2	0	0	0	0	111.2	H790 C852 K853 A854 F856 F862	H790-C850 VanDerWaalsContact CE1-SG 3.54Å; C850-C852 HydrophobicContact CB-CB 4.3Å; C850-C852 WeakPolarHBondContact CB-SG 3.28Å; C850-C852 PolarHBondContact O-N 2.88Å; C850-C852 WeakPolarHBondContact SG-CB 3.21Å; C850-C852 PolarHBondContact SG-N 2.84Å; C850-C852 CovalentContact SG-SG 2.05Å; C850-C852 PolarHBondContact SG-SG 3.43Å; C850-K853 WeakPolarHBondContact O-CA 3.44Å; C850-K853 PolarHBondContact O-N 2.87Å; C850-A854 HydrophobicContact CB-CB 4.24Å; C850-A854 WeakPolarHBondContact CB-O 3.45Å; C850-A854 PolarHBondContact N-O 3.25Å; C850-F856 HydrophobicContact CB-CE2 4.09Å; C850-F862 HydrophobicContact CB-CE2 4.37Å
851	S	70.1	Confident	70.4	Confident	67 Å²	67	82.9 Å²	82.9	47%	0.469	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-20.9	166.7	-67.6	0	0	0	0	113.2	H809 K853	H809-S851 VanDerWaalsContact CA-OG 3.24Å; H809-S851 WeakPolarHBondContact CA-OG 3.41Å; H809-S851 WeakPolarHBondContact CB-OG 3.47Å; H809-S851 PolarHBondContact ND1-OG 2.84Å; H809-S851 PolarHBondContact O-N 3.39Å; H809-S851 PolarHBondContact O-OG 2.99Å; S851-K853 PolarHBondContact O-N 3.45Å
852	C	64.2	Low	71.5	Confident	57 Å²	57	70.7 Å²	70.7	39%	0.385	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	8.2	170.3	63.5	0	0	0	0	115.1	C850 A854 H865	C850-C852 HydrophobicContact CB-CB 4.3Å; C850-C852 WeakPolarHBondContact CB-SG 3.28Å; C850-C852 PolarHBondContact O-N 2.88Å; C850-C852 WeakPolarHBondContact SG-CB 3.21Å; C850-C852 PolarHBondContact SG-N 2.84Å; C850-C852 CovalentContact SG-SG 2.05Å; C850-C852 PolarHBondContact SG-SG 3.43Å; C852-A854 PolarHBondContact O-N 2.98Å; C852-A854 VanDerWaalsContact O-N 3.16Å; C852-H865 PolarHBondContact SG-NE2 2.96Å
853	K	64.2	Low	72	Confident	180 Å²	180	67.8 Å²	67.8	78%	0.783	35%	0.348	S	S	*	.	S	Bend	trans	66.5	-6.5	-173.8	-53.9	-178.5	-179.7	179.8	0	116.5	C850 S851	C850-K853 WeakPolarHBondContact O-CA 3.44Å; C850-K853 PolarHBondContact O-N 2.87Å; S851-K853 PolarHBondContact O-N 3.45Å
854	A	72.7	Confident	72.8	Confident	32 Å²	32	66.5 Å²	66.5	26%	0.264	33%	0.334	S	S	.	.			trans	-63.9	139.9	172.5	0	0	0	0	0	111.4	C850 C852 F856	C850-A854 HydrophobicContact CB-CB 4.24Å; C850-A854 WeakPolarHBondContact CB-O 3.45Å; C850-A854 PolarHBondContact N-O 3.25Å; C852-A854 PolarHBondContact O-N 2.98Å; C852-A854 VanDerWaalsContact O-N 3.16Å; A854-F856 HydrophobicContact CB-CE2 3.54Å; A854-F856 HydrophobicContact CB-CZ 3.55Å
855	L	75.3	Confident	73.2	Confident	111 Å²	111	67.6 Å²	67.6	58%	0.581	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	128.3	-178.2	-61.9	178.9	0	0	0	109.8	V847 K849	V847-L855 HydrophobicContact CG1-CB 3.89Å; V847-L855 HydrophobicContact CG1-CD2 4.05Å; V847-L855 HydrophobicContact CG1-CG 4.44Å; K849-L855 HydrophobicContact CB-CD2 3.61Å; K849-L855 HydrophobicContact CD-CD2 4.24Å; K849-L855 HydrophobicContact CG-CD2 3.71Å
856	F	77.6	Confident	73	Confident	30 Å²	30	63.5 Å²	63.5	13%	0.132	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	123.5	-177.9	-57.1	-82.4	0	0	0	111.2	V847 F848 C850 A854 K858 N861 F862 H865	V847-F856 CarbonylContact C-O 3.12Å; V847-F856 WeakPolarHBondContact CA-O 3.23Å; F848-F856 HydrophobicContact CB-CB 4.39Å; F848-F856 PolarHBondContact N-O 3.47Å; F848-F856 PolarHBondContact O-N 2.97Å; C850-F856 HydrophobicContact CB-CE2 4.09Å; A854-F856 HydrophobicContact CB-CE2 3.54Å; A854-F856 HydrophobicContact CB-CZ 3.55Å; F856-K858 VanDerWaalsContact C-N 3.27Å; F856-K858 PolarHBondContact O-N 3.29Å; F856-N861 HydrophobicContact CB-CB 4.47Å; F856-N861 HydrophobicContact CD1-CB 4.01Å; F856-F862 HydrophobicContact CB-CB 3.93Å; F856-F862 HydrophobicContact CD2-CB 3.96Å; F856-F862 AromaticContact CD2-CD2 3.81Å; F856-F862 HydrophobicContact CD2-CD2 3.81Å; F856-F862 HydrophobicContact CD2-CG 4.4Å; F856-F862 HydrophobicContact CE2-CD2 4.18Å; F856-F862 HydrophobicContact CG-CB 3.98Å; F856-H865 HydrophobicContact CE1-CB 3.62Å; F856-H865 AromaticContact CE1-CG 3.97Å; F856-H865 HydrophobicContact CE2-CB 4.27Å; F856-H865 AromaticContact CE2-CD2 3.86Å; F856-H865 HydrophobicContact CZ-CB 3.43Å; F856-H865 VanDerWaalsContact CZ-CB 3.43Å; F856-H865 AromaticContact CZ-CD2 3.52Å; F856-H865 AromaticContact CZ-CG 3.3Å; F856-H865 AromaticContact CZ-ND1 3.86Å
857	N	71.8	Confident	72.7	Confident	102 Å²	102	63.6 Å²	63.6	55%	0.545	32%	0.316	S	S	.	.	S	Bend	trans	-78.3	-3.6	178.6	61.2	-6.2	0	0	0	114.6
858	K	74.9	Confident	72	Confident	130 Å²	130	67.4 Å²	67.4	57%	0.565	33%	0.333	S	S	*	.	S	Bend	trans	-143.1	139.9	179.1	-65.2	-172.4	178.3	-176.5	0	110	F856 H860 N861 F862	F856-K858 VanDerWaalsContact C-N 3.27Å; F856-K858 PolarHBondContact O-N 3.29Å; K858-H860 PolarHBondContact O-N 3.45Å; K858-N861 PolarHBondContact O-N 3.38Å; K858-N861 VanDerWaalsContact O-N 3.08Å; K858-F862 PolarHBondContact O-N 3.05Å
859	K	71.8	Confident	71.3	Confident	95 Å²	95	68.6 Å²	68.6	41%	0.413	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-34.1	179.8	-153.7	-178.5	-171	-169.8	0	112.2	E806 F848 F863	E806-K859 WeakPolarHBondContact OE2-CE 3.06Å; E806-K859 IonicContact OE2-NZ 2.59Å; E806-K859 PolarHBondContact OE2-NZ 3.44Å; F848-K859 HydrophobicContact CD1-CG 4.47Å; F848-K859 HydrophobicContact CD2-CB 4.42Å; F848-K859 HydrophobicContact CE1-CB 4.41Å; F848-K859 HydrophobicContact CE1-CD 4.31Å; F848-K859 HydrophobicContact CE1-CG 3.92Å; F848-K859 HydrophobicContact CE2-CB 3.75Å; F848-K859 HydrophobicContact CE2-CG 4.15Å; F848-K859 HydrophobicContact CZ-CB 3.74Å; F848-K859 HydrophobicContact CZ-CD 4.22Å; F848-K859 HydrophobicContact CZ-CG 3.75Å; K859-F863 HydrophobicContact CD-CE2 3.84Å; K859-F863 HydrophobicContact CD-CZ 4.04Å; K859-F863 HydrophobicContact CG-CD2 4.29Å; K859-F863 HydrophobicContact CG-CE2 3.68Å; K859-F863 HydrophobicContact CG-CZ 4Å; K859-F863 VanDerWaalsContact O-CD2 3.25Å; K859-F863 WeakPolarHBondContact O-CD2 3.31Å; K859-F863 WeakPolarHBondContact O-CG 3.47Å; K859-F863 PolarHBondContact O-N 3.21Å; K859-F863 VanDerWaalsContact O-N 3.1Å
860	H	73.6	Confident	70.6	Confident	122 Å²	122	65.4 Å²	65.4	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-56.1	-50.2	172	-178.9	-88.2	0	0	0	112.2	K858 F862 F863 Q864	K858-H860 PolarHBondContact O-N 3.45Å; H860-F862 VanDerWaalsContact C-N 3.32Å; H860-F862 PolarHBondContact O-N 3.37Å; H860-F863 CarbonylContact O-C 3.57Å; H860-F863 WeakPolarHBondContact O-CA 3.36Å; H860-F863 PolarHBondContact O-N 2.94Å; H860-Q864 PolarHBondContact CE1-OE1 3.08Å; H860-Q864 PolarHBondContact O-N 2.74Å
861	N	76.6	Confident	69.6	Low	58 Å²	58	68.6 Å²	68.6	31%	0.31	34%	0.343	S	S	.	.	H	α-helix	trans	-69.1	-33	-173.6	-61.6	11.9	0	0	0	111.8	F856 K858 Q864 H865	F856-N861 HydrophobicContact CB-CB 4.47Å; F856-N861 HydrophobicContact CD1-CB 4.01Å; K858-N861 PolarHBondContact O-N 3.38Å; K858-N861 VanDerWaalsContact O-N 3.08Å; N861-Q864 PolarHBondContact O-N 2.71Å; N861-H865 WeakPolarHBondContact O-CB 3.46Å; N861-H865 PolarHBondContact O-N 3.37Å
862	F	75.8	Confident	68.9	Low	3 Å²	3	72.7 Å²	72.7	1%	0.013	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-46.6	168.4	171.8	-106.2	0	0	0	111.7	V805 E806 C810 F848 C850 F856 K858 H860 F866	V805-F862 HydrophobicContact CG1-CZ 3.88Å; E806-F862 HydrophobicContact CG-CE1 4.34Å; C810-F862 HydrophobicContact CB-CE1 4.25Å; C810-F862 HydrophobicContact CB-CE2 4.2Å; C810-F862 HydrophobicContact CB-CZ 3.67Å; F848-F862 HydrophobicContact CB-CB 4.01Å; F848-F862 HydrophobicContact CB-CD2 4.2Å; F848-F862 HydrophobicContact CB-CG 4.05Å; F848-F862 HydrophobicContact CG-CB 4.44Å; C850-F862 HydrophobicContact CB-CE2 4.37Å; F856-F862 HydrophobicContact CB-CB 3.93Å; F856-F862 HydrophobicContact CD2-CB 3.96Å; F856-F862 AromaticContact CD2-CD2 3.81Å; F856-F862 HydrophobicContact CD2-CD2 3.81Å; F856-F862 HydrophobicContact CD2-CG 4.4Å; F856-F862 HydrophobicContact CE2-CD2 4.18Å; F856-F862 HydrophobicContact CG-CB 3.98Å; K858-F862 PolarHBondContact O-N 3.05Å; H860-F862 VanDerWaalsContact C-N 3.32Å; H860-F862 PolarHBondContact O-N 3.37Å; F862-F866 WeakPolarHBondContact O-CB 3.41Å; F862-F866 PolarHBondContact O-N 3.42Å
863	F	70	Confident	68.6	Low	29 Å²	29	75.8 Å²	75.8	13%	0.127	36%	0.356	C	S	.	.	H	α-helix	trans	-67.7	-35.2	176	-66.7	-40.3	0	0	0	113.4	K802 E806 K859 H860 F866 H867	K802-F863 HydrophobicContact CD-CD1 4.45Å; K802-F863 HydrophobicContact CD-CE1 4.15Å; K802-F863 HydrophobicContact CD-CZ 4.46Å; K802-F863 HydrophobicContact CG-CD1 4.28Å; K802-F863 HydrophobicContact CG-CE1 3.89Å; E806-F863 VanDerWaalsContact CD-CZ 3.42Å; E806-F863 HydrophobicContact CG-CE1 3.74Å; E806-F863 HydrophobicContact CG-CZ 4.13Å; E806-F863 VanDerWaalsContact OE1-CE1 3.29Å; E806-F863 WeakPolarHBondContact OE1-CE1 3.37Å; E806-F863 WeakPolarHBondContact OE1-CZ 3.39Å; K859-F863 HydrophobicContact CD-CE2 3.84Å; K859-F863 HydrophobicContact CD-CZ 4.04Å; K859-F863 HydrophobicContact CG-CD2 4.29Å; K859-F863 HydrophobicContact CG-CE2 3.68Å; K859-F863 HydrophobicContact CG-CZ 4Å; K859-F863 VanDerWaalsContact O-CD2 3.25Å; K859-F863 WeakPolarHBondContact O-CD2 3.31Å; K859-F863 WeakPolarHBondContact O-CG 3.47Å; K859-F863 PolarHBondContact O-N 3.21Å; K859-F863 VanDerWaalsContact O-N 3.1Å; H860-F863 CarbonylContact O-C 3.57Å; H860-F863 WeakPolarHBondContact O-CA 3.36Å; H860-F863 PolarHBondContact O-N 2.94Å; F863-F866 CarbonylContact O-C 3.59Å; F863-F866 WeakPolarHBondContact O-CB 3.44Å; F863-F866 PolarHBondContact O-N 3.16Å; F863-H867 WeakPolarHBondContact O-CB 3.07Å; F863-H867 PolarHBondContact O-CD2 3.37Å; F863-H867 PolarHBondContact O-N 3.21Å
864	Q	73.6	Confident	68.5	Low	89 Å²	89	69 Å²	69	42%	0.416	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-52.1	175.8	176.5	172.8	-10.1	0	0	110.4	H860 N861 F866 H867 E868	H860-Q864 PolarHBondContact CE1-OE1 3.08Å; H860-Q864 PolarHBondContact O-N 2.74Å; N861-Q864 PolarHBondContact O-N 2.71Å; Q864-F866 PolarHBondContact O-N 2.83Å; Q864-H867 PolarHBondContact O-N 3.16Å; Q864-H867 VanDerWaalsContact O-N 3.09Å; Q864-E868 HydrophobicContact CG-CG 4.27Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.38Å; Q864-E868 PolarHBondContact NE2-OE1 3.42Å; Q864-E868 WeakPolarHBondContact O-CB 3.06Å; Q864-E868 VanDerWaalsContact O-CG 3.28Å; Q864-E868 WeakPolarHBondContact O-CG 3.45Å; Q864-E868 PolarHBondContact O-N 3.48Å
865	H	74.3	Confident	67.9	Low	51 Å²	51	69.5 Å²	69.5	24%	0.236	33%	0.329	C	S	.	.	H	α-helix	trans	-55.9	-35.6	173.1	172.1	77.9	0	0	0	112.8	C852 F856 N861 N869	C852-H865 PolarHBondContact SG-NE2 2.96Å; F856-H865 HydrophobicContact CE1-CB 3.62Å; F856-H865 AromaticContact CE1-CG 3.97Å; F856-H865 HydrophobicContact CE2-CB 4.27Å; F856-H865 AromaticContact CE2-CD2 3.86Å; F856-H865 HydrophobicContact CZ-CB 3.43Å; F856-H865 VanDerWaalsContact CZ-CB 3.43Å; F856-H865 AromaticContact CZ-CD2 3.52Å; F856-H865 AromaticContact CZ-CG 3.3Å; F856-H865 AromaticContact CZ-ND1 3.86Å; N861-H865 WeakPolarHBondContact O-CB 3.46Å; N861-H865 PolarHBondContact O-N 3.37Å; H865-N869 PolarHBondContact O-ND2 3.06Å
866	F	67.9	Low	67.1	Low	5 Å²	5	66 Å²	66	2%	0.022	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-50	173	171.9	-107.9	0	0	0	112.1	L789 Q801 K802 V805 F862 F863 Q864 N869 A870	L789-F866 HydrophobicContact CD1-CD2 3.83Å; L789-F866 HydrophobicContact CD1-CE2 4.15Å; Q801-F866 HydrophobicContact CB-CZ 4.38Å; Q801-F866 VanDerWaalsContact CD-CZ 3.5Å; Q801-F866 HydrophobicContact CG-CE2 4.42Å; Q801-F866 HydrophobicContact CG-CZ 3.85Å; K802-F866 HydrophobicContact CB-CE1 4.18Å; V805-F866 HydrophobicContact CB-CD2 4.48Å; V805-F866 HydrophobicContact CB-CE2 4.12Å; V805-F866 HydrophobicContact CG1-CD2 3.97Å; V805-F866 HydrophobicContact CG1-CE2 4.11Å; V805-F866 HydrophobicContact CG2-CD2 4.4Å; V805-F866 HydrophobicContact CG2-CE2 3.75Å; V805-F866 HydrophobicContact CG2-CZ 4.33Å; F862-F866 WeakPolarHBondContact O-CB 3.41Å; F862-F866 PolarHBondContact O-N 3.42Å; F863-F866 CarbonylContact O-C 3.59Å; F863-F866 WeakPolarHBondContact O-CB 3.44Å; F863-F866 PolarHBondContact O-N 3.16Å; Q864-F866 PolarHBondContact O-N 2.83Å; F866-N869 CarbonylContact O-C 3.58Å; F866-N869 PolarHBondContact O-N 3.21Å; F866-N869 VanDerWaalsContact O-N 3.08Å; F866-A870 HydrophobicContact CE1-CB 4.28Å; F866-A870 HydrophobicContact CE2-CB 4.36Å; F866-A870 HydrophobicContact CZ-CB 4.16Å; F866-A870 VanDerWaalsContact O-CB 3.31Å; F866-A870 WeakPolarHBondContact O-CB 3.11Å; F866-A870 PolarHBondContact O-N 3.26Å
867	H	67.5	Low	66.6	Low	71 Å²	71	65 Å²	65	33%	0.329	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-43.8	-178	-81.9	-65.8	0	0	0	112.7	F863 Q864 N869 A870 N871	F863-H867 WeakPolarHBondContact O-CB 3.07Å; F863-H867 PolarHBondContact O-CD2 3.37Å; F863-H867 PolarHBondContact O-N 3.21Å; Q864-H867 PolarHBondContact O-N 3.16Å; Q864-H867 VanDerWaalsContact O-N 3.09Å; H867-N869 PolarHBondContact O-N 3.18Å; H867-A870 PolarHBondContact O-N 3.48Å; H867-A870 VanDerWaalsContact O-N 3.12Å; H867-N871 PolarHBondContact O-N 3.3Å
868	E	64.4	Low	66.4	Low	95 Å²	95	60.8 Å²	60.8	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-55.9	-18.6	172.8	-72.9	170.1	-178.6	0	0	113	Q864 K872	Q864-E868 HydrophobicContact CG-CG 4.27Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.38Å; Q864-E868 PolarHBondContact NE2-OE1 3.42Å; Q864-E868 WeakPolarHBondContact O-CB 3.06Å; Q864-E868 VanDerWaalsContact O-CG 3.28Å; Q864-E868 WeakPolarHBondContact O-CG 3.45Å; Q864-E868 PolarHBondContact O-N 3.48Å; E868-K872 VanDerWaalsContact O-CD 3.25Å; E868-K872 WeakPolarHBondContact O-CD 3.49Å; E868-K872 WeakPolarHBondContact O-CE 3.4Å; E868-K872 PolarHBondContact O-NZ 3.22Å
869	N	61.1	Low	65.9	Low	44 Å²	44	57 Å²	57	24%	0.235	27%	0.271	C	S	.	.	H	α-helix	trans	-115.4	-17	177.9	-67.9	-58.1	0	0	0	113.8	L789 H865 F866 H867	L789-N869 HydrophobicContact CD1-CB 3.53Å; L789-N869 HydrophobicContact CD2-CB 3.84Å; L789-N869 HydrophobicContact CG-CB 4.34Å; H865-N869 PolarHBondContact O-ND2 3.06Å; F866-N869 CarbonylContact O-C 3.58Å; F866-N869 PolarHBondContact O-N 3.21Å; F866-N869 VanDerWaalsContact O-N 3.08Å; H867-N869 PolarHBondContact O-N 3.18Å
870	A	59.2	Low	65.9	Low	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.5	-42.7	176.7	0	0	0	0	0	111.4	L798 F866 H867 K872 R873 V874	L798-A870 HydrophobicContact CD2-CB 4.49Å; F866-A870 HydrophobicContact CE1-CB 4.28Å; F866-A870 HydrophobicContact CE2-CB 4.36Å; F866-A870 HydrophobicContact CZ-CB 4.16Å; F866-A870 VanDerWaalsContact O-CB 3.31Å; F866-A870 WeakPolarHBondContact O-CB 3.11Å; F866-A870 PolarHBondContact O-N 3.26Å; H867-A870 PolarHBondContact O-N 3.48Å; H867-A870 VanDerWaalsContact O-N 3.12Å; A870-K872 PolarHBondContact O-N 3.15Å; A870-R873 CarbonylContact O-C 3.51Å; A870-R873 PolarHBondContact O-N 3.44Å; A870-V874 PolarHBondContact O-N 3.28Å
871	N	54.7	Low	65.5	Low	69 Å²	69	50.2 Å²	50.2	37%	0.369	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-62.1	-35.6	174.8	-66.9	11	0	0	0	111	E725 H867 R873	E725-N871 VanDerWaalsContact OE1-CB 3.26Å; E725-N871 WeakPolarHBondContact OE1-CB 3.47Å; E725-N871 PolarHBondContact OE1-ND2 3.19Å; H867-N871 PolarHBondContact O-N 3.3Å; N871-R873 PolarHBondContact O-N 3.48Å; N871-R873 VanDerWaalsContact O-N 3.09Å
872	K	56.6	Low	64.9	Low	154 Å²	154	52.8 Å²	52.8	67%	0.67	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.4	-4.9	173.2	-60.7	178.1	-177.8	133.2	0	114.2	E868 A870	E868-K872 VanDerWaalsContact O-CD 3.25Å; E868-K872 WeakPolarHBondContact O-CD 3.49Å; E868-K872 WeakPolarHBondContact O-CE 3.4Å; E868-K872 PolarHBondContact O-NZ 3.22Å; A870-K872 PolarHBondContact O-N 3.15Å
873	R	56.7	Low	64.7	Low	121 Å²	121	54.5 Å²	54.5	46%	0.457	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-138.5	35.5	178.5	-67.5	-163.7	179.7	169	2.3	114.3	K787 L789 A870 N871 T875	K787-R873 PolarHBondContact N-O 3.46Å; L789-R873 HydrophobicContact CD2-CG 4.38Å; L789-R873 PolarHBondContact O-NH1 3.16Å; A870-R873 CarbonylContact O-C 3.51Å; A870-R873 PolarHBondContact O-N 3.44Å; N871-R873 PolarHBondContact O-N 3.48Å; N871-R873 VanDerWaalsContact O-N 3.09Å; R873-T875 PolarHBondContact O-N 3.46Å
874	V	62.2	Low	64.6	Low	37 Å²	37	59.9 Å²	59.9	22%	0.224	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	116.6	159.8	-166.8	0	0	0	0	108.2	L735 A784 Y786 A870	L735-V874 HydrophobicContact CD2-CB 4.26Å; L735-V874 HydrophobicContact CD2-CG1 3.76Å; A784-V874 HydrophobicContact CB-CG1 4.3Å; Y786-V874 HydrophobicContact CD1-CG1 4.37Å; Y786-V874 HydrophobicContact CD1-CG2 3.99Å; Y786-V874 HydrophobicContact CE1-CG1 4.17Å; Y786-V874 HydrophobicContact CE1-CG2 3.83Å; A870-V874 PolarHBondContact O-N 3.28Å
875	T	59.7	Low	64.4	Low	43 Å²	43	56.9 Å²	56.9	26%	0.264	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.7	-177.9	49.7	0	0	0	0	110.5	W785 K787 R873 V877	W785-T875 PolarHBondContact N-O 3.32Å; W785-T875 PolarHBondContact O-N 2.85Å; W785-T875 VanDerWaalsContact O-O 3.06Å; W785-T875 PolarHBondContact O-OG1 3.25Å; K787-T875 HydrophobicContact CB-CG2 3.89Å; K787-T875 HydrophobicContact CD-CG2 4.33Å; R873-T875 PolarHBondContact O-N 3.46Å; T875-V877 VanDerWaalsContact O-CG2 3.25Å; T875-V877 WeakPolarHBondContact O-CG2 3.35Å; T875-V877 PolarHBondContact O-N 2.87Å
876	C	60	Low	64.4	Low	37 Å²	37	57 Å²	57	25%	0.25	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	121.7	165	-70.5	0	0	0	0	109.5	R782	R782-C876 HydrophobicContact CG-CB 4Å
877	V	66.6	Low	64.5	Low	10 Å²	10	58.3 Å²	58.3	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.7	176.9	-138.8	0	0	0	0	109.4	K783 W785 V794 T875 V886 F887	K783-V877 PolarHBondContact N-O 2.92Å; K783-V877 PolarHBondContact O-N 2.95Å; K783-V877 VanDerWaalsContact O-N 3.1Å; W785-V877 HydrophobicContact CB-CG2 3.59Å; W785-V877 HydrophobicContact CG-CB 4.41Å; W785-V877 HydrophobicContact CG-CG2 3.78Å; V794-V877 HydrophobicContact CG1-CG2 3.97Å; T875-V877 VanDerWaalsContact O-CG2 3.25Å; T875-V877 WeakPolarHBondContact O-CG2 3.35Å; T875-V877 PolarHBondContact O-N 2.87Å; V877-V886 HydrophobicContact CB-CG1 3.93Å; V877-V886 HydrophobicContact CG1-CG1 3.32Å; V877-F887 VanDerWaalsContact CG1-O 3.25Å; V877-F887 WeakPolarHBondContact CG1-O 3.35Å
878	F	67.9	Low	64.3	Low	13 Å²	13	58.8 Å²	58.8	6%	0.057	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.3	-171.1	-61.2	-96.5	0	0	0	109	A781 R782 F887 K890 L893	A781-F878 CarbonylContact O-C 3.2Å; A781-F878 WeakPolarHBondContact O-CA 3.41Å; R782-F878 HydrophobicContact CB-CD1 4.03Å; R782-F878 HydrophobicContact CB-CE1 3.91Å; R782-F878 HydrophobicContact CG-CE1 4.2Å; R782-F878 HydrophobicContact CG-CZ 4.42Å; F878-F887 PolarHBondContact N-O 3.44Å; F878-F887 PolarHBondContact O-N 3.24Å; F878-K890 HydrophobicContact CD1-CB 4.09Å; F878-K890 HydrophobicContact CD1-CG 4.3Å; F878-K890 HydrophobicContact CE1-CB 3.68Å; F878-K890 HydrophobicContact CE1-CG 4.02Å; F878-K890 HydrophobicContact CE2-CB 4.35Å; F878-K890 HydrophobicContact CZ-CB 3.83Å; F878-L893 HydrophobicContact CB-CB 4.06Å; F878-L893 HydrophobicContact CB-CD2 3.74Å
879	K	63.5	Low	64.2	Low	52 Å²	52	59.2 Å²	59.2	23%	0.226	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	138.3	173.8	-162.6	-141.3	174.8	-146.9	0	109.9	A781 C883 N884 S885 V886	A781-K879 WeakPolarHBondContact CA-O 3.48Å; A781-K879 WeakPolarHBondContact CB-O 3.23Å; A781-K879 PolarHBondContact O-N 3.42Å; K879-C883 WeakPolarHBondContact CE-O 3.28Å; K879-C883 PolarHBondContact NZ-O 3.17Å; K879-C883 VanDerWaalsContact NZ-O 3.12Å; K879-N884 WeakPolarHBondContact CE-OD1 3.33Å; K879-N884 PolarHBondContact NZ-OD1 3.35Å; K879-S885 WeakPolarHBondContact CA-O 3.31Å; K879-S885 WeakPolarHBondContact CG-O 3.19Å; K879-V886 HydrophobicContact CB-CG2 4.35Å; K879-V886 HydrophobicContact CG-CG2 3.97Å
880	C	71.8	Confident	64.5	Low	0 Å²	0	59 Å²	59	0%	0	31%	0.306	C	S	.	.			trans	-61.4	138.4	165.7	-169.8	0	0	0	0	110.2	E882 S885 L893	C880-E882 VanDerWaalsContact C-N 3.31Å; C880-S885 WeakPolarHBondContact CB-OG 3.48Å; C880-S885 PolarHBondContact N-O 3.4Å; C880-L893 HydrophobicContact CB-CD1 3.74Å
881	P	65.6	Low	65	Low	73 Å²	73	68.4 Å²	68.4	47%	0.474	34%	0.342	S	S	.	.	S	Bend	trans	-63	-40.9	171.5	-19.6	31.1	0	0	0	111.7	L778	L778-P881 HydrophobicContact CD2-CG 3.93Å
882	E	63.3	Low	66	Low	113 Å²	113	67.9 Å²	67.9	53%	0.528	34%	0.339	S	S	.	.	S	Bend	trans	-95.4	-10.4	-167.7	-69.8	176.9	-151.9	0	0	114.6	C880 F897 H901	C880-E882 VanDerWaalsContact C-N 3.31Å; E882-F897 HydrophobicContact CG-CE2 4.42Å; E882-F897 WeakPolarHBondContact OE1-CE2 3.47Å; E882-H901 WeakPolarHBondContact CB-CE1 3.39Å; E882-H901 WeakPolarHBondContact CB-ND1 3.17Å; E882-H901 IonicContact OE2-CE1 2.88Å; E882-H901 IonicContact OE2-CG 2.61Å; E882-H901 IonicContact OE2-ND1 2.71Å; E882-H901 PolarHBondContact OE2-ND1 3.44Å
883	C	72.4	Confident	66.9	Low	38 Å²	38	60.6 Å²	60.6	26%	0.257	31%	0.307	S	S	.	.	S	Bend	trans	-146.1	176.9	169.5	75.3	0	0	0	0	112.5	K879 S885 H896 H901	K879-C883 WeakPolarHBondContact CE-O 3.28Å; K879-C883 PolarHBondContact NZ-O 3.17Å; K879-C883 VanDerWaalsContact NZ-O 3.12Å; C883-S885 VanDerWaalsContact C-N 3.27Å; C883-S885 PolarHBondContact O-N 3.01Å; C883-S885 PolarHBondContact SG-OG 3.02Å; C883-H896 PolarHBondContact SG-NE2 3.32Å; C883-H901 PolarHBondContact SG-NE2 3.1Å; C883-H901 VanDerWaalsContact SG-NE2 3.36Å
884	N	68.3	Low	67.7	Low	142 Å²	142	57.2 Å²	57.2	76%	0.759	30%	0.297	S	S	*	.	S	Bend	trans	-87.5	16.9	-175	-70	-33.4	0	0	0	114.8	K879	K879-N884 WeakPolarHBondContact CE-OD1 3.33Å; K879-N884 PolarHBondContact NZ-OD1 3.35Å
885	S	69.5	Low	68.3	Low	27 Å²	27	61.4 Å²	61.4	19%	0.189	31%	0.314	C	S	.	.			trans	-71.7	146.1	172.7	64.7	0	0	0	0	112	K879 C880 C883 F887 H896	K879-S885 WeakPolarHBondContact CA-O 3.31Å; K879-S885 WeakPolarHBondContact CG-O 3.19Å; C880-S885 WeakPolarHBondContact CB-OG 3.48Å; C880-S885 PolarHBondContact N-O 3.4Å; C883-S885 VanDerWaalsContact C-N 3.27Å; C883-S885 PolarHBondContact O-N 3.01Å; C883-S885 PolarHBondContact SG-OG 3.02Å; S885-F887 VanDerWaalsContact OG-CE2 3.23Å; S885-F887 WeakPolarHBondContact OG-CE2 3.44Å; S885-H896 PolarHBondContact OG-CD2 3.2Å; S885-H896 VanDerWaalsContact OG-CD2 3.24Å; S885-H896 PolarHBondContact OG-NE2 3.31Å
886	V	73.1	Confident	69.2	Low	54 Å²	54	60.9 Å²	60.9	33%	0.327	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.6	-174.2	173.7	0	0	0	0	109.1	W785 V877 K879	W785-V886 HydrophobicContact CH2-CG2 4.21Å; W785-V886 HydrophobicContact CZ2-CG2 4.1Å; V877-V886 HydrophobicContact CB-CG1 3.93Å; V877-V886 HydrophobicContact CG1-CG1 3.32Å; K879-V886 HydrophobicContact CB-CG2 4.35Å; K879-V886 HydrophobicContact CG-CG2 3.97Å
887	F	70.7	Confident	69.9	Low	31 Å²	31	60 Å²	60	14%	0.136	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.6	-171.8	-57.2	-84.3	0	0	0	112.7	V877 F878 S885 Q889 L892 L893 H896	V877-F887 VanDerWaalsContact CG1-O 3.25Å; V877-F887 WeakPolarHBondContact CG1-O 3.35Å; F878-F887 PolarHBondContact N-O 3.44Å; F878-F887 PolarHBondContact O-N 3.24Å; S885-F887 VanDerWaalsContact OG-CE2 3.23Å; S885-F887 WeakPolarHBondContact OG-CE2 3.44Å; F887-Q889 PolarHBondContact O-N 2.88Å; F887-L892 HydrophobicContact CB-CB 4.12Å; F887-L892 HydrophobicContact CD1-CB 3.86Å; F887-L892 HydrophobicContact CG-CB 4.23Å; F887-L893 HydrophobicContact CB-CB 4.23Å; F887-L893 HydrophobicContact CD2-CB 3.65Å; F887-L893 HydrophobicContact CD2-CD1 3.7Å; F887-L893 HydrophobicContact CD2-CG 4.23Å; F887-L893 HydrophobicContact CE2-CB 4.36Å; F887-L893 HydrophobicContact CE2-CD1 3.71Å; F887-L893 HydrophobicContact CG-CB 4.13Å; F887-H896 HydrophobicContact CE1-CB 4.02Å; F887-H896 HydrophobicContact CE2-CB 3.9Å; F887-H896 AromaticContact CE2-CD2 3.35Å; F887-H896 WeakPolarHBondContact CE2-CD2 3.49Å; F887-H896 AromaticContact CE2-CG 3.72Å; F887-H896 HydrophobicContact CZ-CB 3.41Å; F887-H896 VanDerWaalsContact CZ-CB 3.41Å; F887-H896 AromaticContact CZ-CD2 3.4Å; F887-H896 VanDerWaalsContact CZ-CD2 3.4Å; F887-H896 WeakPolarHBondContact CZ-CD2 3.19Å; F887-H896 AromaticContact CZ-CG 3.3Å; F887-H896 AromaticContact CZ-ND1 3.99Å
888	P	62.7	Low	70.4	Confident	81 Å²	81	66.8 Å²	66.8	53%	0.526	33%	0.329	S	S	.	.	S	Bend	trans	-73	-7.6	178.7	31.1	-36.4	0	0	0	113.9	L892 V955	P888-L892 HydrophobicContact CG-CD1 4.24Å; P888-V955 HydrophobicContact CG-CG2 4.25Å
889	Q	63.3	Low	70.8	Confident	104 Å²	104	70.3 Å²	70.3	49%	0.486	35%	0.352	S	S	.	.	S	Bend	trans	-147.8	138.2	-177.5	-162.4	-176	57.7	0	0	111.8	F887 R891 L892 L893	F887-Q889 PolarHBondContact O-N 2.88Å; Q889-R891 VanDerWaalsContact C-N 3.25Å; Q889-R891 PolarHBondContact O-N 3.29Å; Q889-R891 VanDerWaalsContact O-N 3.16Å; Q889-L892 HydrophobicContact CB-CD1 4.45Å; Q889-L892 PolarHBondContact O-N 3.12Å; Q889-L893 PolarHBondContact O-N 3.05Å
890	K	66.8	Low	71.3	Confident	40 Å²	40	72 Å²	72	17%	0.174	37%	0.367	C	S	.	.	H	α-helix	trans	-49.6	-40.6	178.8	-166.6	-177.3	-176.7	-172.9	0	113.7	E759 C777 F878 L892 L893 M894	E759-K890 PolarHBondContact O-NZ 2.98Å; C777-K890 WeakPolarHBondContact O-CE 3.47Å; C777-K890 PolarHBondContact SG-NZ 3.01Å; F878-K890 HydrophobicContact CD1-CB 4.09Å; F878-K890 HydrophobicContact CD1-CG 4.3Å; F878-K890 HydrophobicContact CE1-CB 3.68Å; F878-K890 HydrophobicContact CE1-CG 4.02Å; F878-K890 HydrophobicContact CE2-CB 4.35Å; F878-K890 HydrophobicContact CZ-CB 3.83Å; K890-L892 VanDerWaalsContact C-N 3.34Å; K890-L892 PolarHBondContact O-N 3.5Å; K890-L893 PolarHBondContact O-N 3.46Å; K890-M894 HydrophobicContact CG-CG 4.14Å; K890-M894 WeakPolarHBondContact O-CB 3.22Å; K890-M894 WeakPolarHBondContact O-CG 3.44Å; K890-M894 PolarHBondContact O-N 3.33Å
891	R	70.1	Confident	71.3	Confident	198 Å²	198	74.7 Å²	74.7	75%	0.747	38%	0.379	S	S	*	.	H	α-helix	trans	-59.1	-42.1	179	-69.8	-175.6	178.9	178	0	112.6	Q889 M894 Q895	Q889-R891 VanDerWaalsContact C-N 3.25Å; Q889-R891 PolarHBondContact O-N 3.29Å; Q889-R891 VanDerWaalsContact O-N 3.16Å; R891-M894 PolarHBondContact O-N 3.19Å; R891-Q895 WeakPolarHBondContact O-CB 3.41Å; R891-Q895 PolarHBondContact O-N 2.86Å
892	L	74.7	Confident	71.1	Confident	57 Å²	57	75.6 Å²	75.6	30%	0.298	38%	0.383	S	S	.	.	H	α-helix	trans	-69.8	-38	179.8	-62.3	175.1	0	0	0	111.6	F887 P888 Q889 K890 H896 V955	F887-L892 HydrophobicContact CB-CB 4.12Å; F887-L892 HydrophobicContact CD1-CB 3.86Å; F887-L892 HydrophobicContact CG-CB 4.23Å; P888-L892 HydrophobicContact CG-CD1 4.24Å; Q889-L892 HydrophobicContact CB-CD1 4.45Å; Q889-L892 PolarHBondContact O-N 3.12Å; K890-L892 VanDerWaalsContact C-N 3.34Å; K890-L892 PolarHBondContact O-N 3.5Å; L892-H896 WeakPolarHBondContact O-CB 3.46Å; L892-H896 PolarHBondContact O-N 3.1Å; L892-V955 HydrophobicContact CD1-CG2 4.33Å
893	L	76.4	Confident	70.2	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.005	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-44.9	170.8	174	59.7	0	0	0	111.5	L778 A781 F878 C880 F887 Q889 K890 Q895 H896 F897	L778-L893 HydrophobicContact CB-CD2 4.35Å; L778-L893 HydrophobicContact CD1-CD1 4.26Å; L778-L893 HydrophobicContact CD1-CD2 3.69Å; L778-L893 HydrophobicContact CD1-CG 3.76Å; A781-L893 HydrophobicContact CB-CD2 3.3Å; F878-L893 HydrophobicContact CB-CB 4.06Å; F878-L893 HydrophobicContact CB-CD2 3.74Å; C880-L893 HydrophobicContact CB-CD1 3.74Å; F887-L893 HydrophobicContact CB-CB 4.23Å; F887-L893 HydrophobicContact CD2-CB 3.65Å; F887-L893 HydrophobicContact CD2-CD1 3.7Å; F887-L893 HydrophobicContact CD2-CG 4.23Å; F887-L893 HydrophobicContact CE2-CB 4.36Å; F887-L893 HydrophobicContact CE2-CD1 3.71Å; F887-L893 HydrophobicContact CG-CB 4.13Å; Q889-L893 PolarHBondContact O-N 3.05Å; K890-L893 PolarHBondContact O-N 3.46Å; L893-Q895 VanDerWaalsContact C-N 3.31Å; L893-Q895 PolarHBondContact O-N 3.36Å; L893-H896 PolarHBondContact O-N 3.21Å; L893-F897 VanDerWaalsContact O-CB 3.31Å; L893-F897 WeakPolarHBondContact O-CB 3.47Å; L893-F897 PolarHBondContact O-N 3.36Å
894	M	73.3	Confident	68.7	Low	51 Å²	51	77.5 Å²	77.5	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-63.6	-38.3	-179.2	-64.5	-97.5	57	0	0	111.7	L778 K890 R891 F897 K898	L778-M894 HydrophobicContact CD1-CE 3.7Å; L778-M894 HydrophobicContact CG-CE 3.7Å; K890-M894 HydrophobicContact CG-CG 4.14Å; K890-M894 WeakPolarHBondContact O-CB 3.22Å; K890-M894 WeakPolarHBondContact O-CG 3.44Å; K890-M894 PolarHBondContact O-N 3.33Å; R891-M894 PolarHBondContact O-N 3.19Å; M894-F897 HydrophobicContact CE-CD1 4.41Å; M894-K898 WeakPolarHBondContact O-CB 3.44Å; M894-K898 PolarHBondContact O-N 2.99Å
895	Q	75.2	Confident	67	Low	125 Å²	125	78.9 Å²	78.9	58%	0.584	41%	0.407	S	S	*	.	H	α-helix	trans	-61.6	-53.8	171.1	-174.7	176.1	5.4	0	0	110.8	R891 L893 F897 K898 T899	R891-Q895 WeakPolarHBondContact O-CB 3.41Å; R891-Q895 PolarHBondContact O-N 2.86Å; L893-Q895 VanDerWaalsContact C-N 3.31Å; L893-Q895 PolarHBondContact O-N 3.36Å; Q895-F897 PolarHBondContact O-N 2.85Å; Q895-K898 PolarHBondContact O-N 3.02Å; Q895-K898 VanDerWaalsContact O-N 3.17Å; Q895-T899 HydrophobicContact CG-CG2 4.4Å; Q895-T899 WeakPolarHBondContact O-CG2 3.47Å; Q895-T899 PolarHBondContact O-N 3.47Å; Q895-T899 PolarHBondContact O-OG1 3.19Å; Q895-T899 VanDerWaalsContact O-OG1 3.12Å
896	H	77.6	Confident	65.3	Low	31 Å²	31	84.6 Å²	84.6	14%	0.144	44%	0.44	C	S	.	.	H	α-helix	trans	-58.4	-43.5	179	165.2	67.1	0	0	0	113.4	C883 S885 F887 L892 L893 T899 V900 H901	C883-H896 PolarHBondContact SG-NE2 3.32Å; S885-H896 PolarHBondContact OG-CD2 3.2Å; S885-H896 VanDerWaalsContact OG-CD2 3.24Å; S885-H896 PolarHBondContact OG-NE2 3.31Å; F887-H896 HydrophobicContact CE1-CB 4.02Å; F887-H896 HydrophobicContact CE2-CB 3.9Å; F887-H896 AromaticContact CE2-CD2 3.35Å; F887-H896 WeakPolarHBondContact CE2-CD2 3.49Å; F887-H896 AromaticContact CE2-CG 3.72Å; F887-H896 HydrophobicContact CZ-CB 3.41Å; F887-H896 VanDerWaalsContact CZ-CB 3.41Å; F887-H896 AromaticContact CZ-CD2 3.4Å; F887-H896 VanDerWaalsContact CZ-CD2 3.4Å; F887-H896 WeakPolarHBondContact CZ-CD2 3.19Å; F887-H896 AromaticContact CZ-CG 3.3Å; F887-H896 AromaticContact CZ-ND1 3.99Å; L892-H896 WeakPolarHBondContact O-CB 3.46Å; L892-H896 PolarHBondContact O-N 3.1Å; L893-H896 PolarHBondContact O-N 3.21Å; H896-T899 PolarHBondContact O-N 3.21Å; H896-T899 PolarHBondContact O-OG1 2.99Å; H896-V900 VanDerWaalsContact ND1-CG2 3.35Å; H896-V900 WeakPolarHBondContact ND1-CG2 3.48Å; H896-V900 VanDerWaalsContact O-CB 3.29Å; H896-V900 WeakPolarHBondContact O-CB 3.45Å; H896-V900 WeakPolarHBondContact O-CG2 3.48Å; H896-V900 PolarHBondContact O-N 3.28Å; H896-H901 AromaticContact NE2-CD2 3.99Å; H896-H901 AromaticContact NE2-NE2 3.75Å
897	F	75.1	Confident	63.5	Low	18 Å²	18	86.6 Å²	86.6	8%	0.079	46%	0.463	C	S	.	.	H	α-helix	trans	-61	-47.8	175.9	-171.8	-109.6	0	0	0	110.1	L778 E882 L893 M894 Q895 T899 H901 V902	L778-F897 HydrophobicContact CD1-CB 4.07Å; L778-F897 HydrophobicContact CD1-CD1 4.18Å; L778-F897 HydrophobicContact CD1-CD2 4.25Å; L778-F897 HydrophobicContact CD1-CG 3.91Å; L778-F897 HydrophobicContact CD2-CE1 4.36Å; L778-F897 HydrophobicContact CD2-CZ 4.4Å; E882-F897 HydrophobicContact CG-CE2 4.42Å; E882-F897 WeakPolarHBondContact OE1-CE2 3.47Å; L893-F897 VanDerWaalsContact O-CB 3.31Å; L893-F897 WeakPolarHBondContact O-CB 3.47Å; L893-F897 PolarHBondContact O-N 3.36Å; M894-F897 HydrophobicContact CE-CD1 4.41Å; Q895-F897 PolarHBondContact O-N 2.85Å; F897-T899 VanDerWaalsContact C-N 3.34Å; F897-T899 PolarHBondContact O-N 3.39Å; F897-H901 HydrophobicContact CD2-CB 3.79Å; F897-H901 HydrophobicContact CE2-CB 3.9Å; F897-H901 HydrophobicContact CG-CB 4.46Å; F897-H901 WeakPolarHBondContact O-CA 3.44Å; F897-H901 WeakPolarHBondContact O-CB 3.44Å; F897-H901 PolarHBondContact O-N 3.41Å; F897-V902 HydrophobicContact CD1-CG2 3.95Å; F897-V902 HydrophobicContact CE1-CG2 3.78Å; F897-V902 HydrophobicContact CZ-CG2 4.32Å; F897-V902 PolarHBondContact O-N 3.28Å
898	K	77.8	Confident	61.5	Low	154 Å²	154	92.4 Å²	92.4	67%	0.67	50%	0.495	S	S	*	.	H	α-helix	trans	-63.9	-33.4	177.5	-169.7	168.6	-177.8	178.7	0	113.6	M894 Q895 V902 G903	M894-K898 WeakPolarHBondContact O-CB 3.44Å; M894-K898 PolarHBondContact O-N 2.99Å; Q895-K898 PolarHBondContact O-N 3.02Å; Q895-K898 VanDerWaalsContact O-N 3.17Å; K898-V902 CarbonylContact O-C 3.58Å; K898-G903 PolarHBondContact O-N 2.92Å
899	T	75.9	Confident	59.9	Low	87 Å²	87	93.2 Å²	93.2	53%	0.534	50%	0.499	S	S	.	.	H	α-helix	trans	-94.8	-17.4	-176.5	62.7	0	0	0	0	115.4	Q895 H896 F897	Q895-T899 HydrophobicContact CG-CG2 4.4Å; Q895-T899 WeakPolarHBondContact O-CG2 3.47Å; Q895-T899 PolarHBondContact O-N 3.47Å; Q895-T899 PolarHBondContact O-OG1 3.19Å; Q895-T899 VanDerWaalsContact O-OG1 3.12Å; H896-T899 PolarHBondContact O-N 3.21Å; H896-T899 PolarHBondContact O-OG1 2.99Å; F897-T899 VanDerWaalsContact C-N 3.34Å; F897-T899 PolarHBondContact O-N 3.39Å
900	V	73.4	Confident	58.4	Low	88 Å²	88	95.9 Å²	95.9	53%	0.533	51%	0.511	S	S	.	.	H	α-helix	trans	-117.6	-25.2	-176	-176.9	0	0	0	0	112.7	H896	H896-V900 VanDerWaalsContact ND1-CG2 3.35Å; H896-V900 WeakPolarHBondContact ND1-CG2 3.48Å; H896-V900 VanDerWaalsContact O-CB 3.29Å; H896-V900 WeakPolarHBondContact O-CB 3.45Å; H896-V900 WeakPolarHBondContact O-CG2 3.48Å; H896-V900 PolarHBondContact O-N 3.28Å
901	H	71.3	Confident	56.7	Low	55 Å²	55	101.4 Å²	101.4	26%	0.255	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-33.2	-177.5	-67.4	-87.2	0	0	0	112.8	E882 C883 H896 F897	E882-H901 WeakPolarHBondContact CB-CE1 3.39Å; E882-H901 WeakPolarHBondContact CB-ND1 3.17Å; E882-H901 IonicContact OE2-CE1 2.88Å; E882-H901 IonicContact OE2-CG 2.61Å; E882-H901 IonicContact OE2-ND1 2.71Å; E882-H901 PolarHBondContact OE2-ND1 3.44Å; C883-H901 PolarHBondContact SG-NE2 3.1Å; C883-H901 VanDerWaalsContact SG-NE2 3.36Å; H896-H901 AromaticContact NE2-CD2 3.99Å; H896-H901 AromaticContact NE2-NE2 3.75Å; F897-H901 HydrophobicContact CD2-CB 3.79Å; F897-H901 HydrophobicContact CE2-CB 3.9Å; F897-H901 HydrophobicContact CG-CB 4.46Å; F897-H901 WeakPolarHBondContact O-CA 3.44Å; F897-H901 WeakPolarHBondContact O-CB 3.44Å; F897-H901 PolarHBondContact O-N 3.41Å
902	V	63.1	Low	54.6	Low	93 Å²	93	98.1 Å²	98.1	56%	0.564	53%	0.532	S	S	*	.	S	Bend	trans	-104.3	-2.8	178.2	-165.1	0	0	0	0	112.2	F897 K898	F897-V902 HydrophobicContact CD1-CG2 3.95Å; F897-V902 HydrophobicContact CE1-CG2 3.78Å; F897-V902 HydrophobicContact CZ-CG2 4.32Å; F897-V902 PolarHBondContact O-N 3.28Å; K898-V902 CarbonylContact O-C 3.58Å
903	G	43.6	Very low	52.7	Low	35 Å²	35	99.4 Å²	99.4	36%	0.361	55%	0.547	S	S	.	.			trans	-103.6	82.6	-173.9	0	0	0	0	0	113.6	K898	K898-G903 PolarHBondContact O-N 2.92Å
904	N	40.6	Very low	50.3	Low	156 Å²	156	109.1 Å²	109.1	83%	0.834	59%	0.589	S	S	*	*	S	Bend	trans	174.5	61.8	144	-94.4	7.4	0	0	0	111.8
905	M	32.3	Very low	48.1	Very low	171 Å²	171	114.8 Å²	114.8	84%	0.842	61%	0.614	S	S	*	*	S	Bend	trans	-139.3	146	157	-80.8	-62.3	150.3	0	0	108.8
906	T	34.8	Very low	45.7	Very low	146 Å²	146	118.2 Å²	118.2	90%	0.896	63%	0.627	S	S	*	*	S	Bend	trans	56.5	75.7	-177.1	57.6	0	0	0	0	115.3
907	A	34	Very low	43.2	Very low	97 Å²	97	124.5 Å²	124.5	80%	0.802	66%	0.657	S	S	*	*			trans	-140.6	33.6	163.7	0	0	0	0	0	112.3
908	D	30.2	Very low	40.8	Very low	153 Å²	153	126.9 Å²	126.9	82%	0.818	69%	0.686	S	S	*	*			trans	-129.6	102.8	174.8	-93.6	-52.8	0	0	0	111.5
909	T	28.4	Very low	38.2	Very low	98 Å²	98	126.9 Å²	126.9	60%	0.601	69%	0.693	S	S	*	*			trans	157.8	61	134.9	46.4	0	0	0	0	111.4	K332	K332-T909 VanDerWaalsContact NZ-CB 3.33Å; K332-T909 PolarHBondContact NZ-O 3.49Å; K332-T909 PolarHBondContact NZ-OG1 3.45Å
910	E	32.5	Very low	35.5	Very low	159 Å²	159	128.8 Å²	128.8	74%	0.743	70%	0.7	S	S	*	*				-57.4	140.5	128.1	-59.8	-174	175.2	0	0	106.3
911	K	29.9	Very low	33	Very low	157 Å²	157	135 Å²	135	68%	0.683	71%	0.714	S	S	*	*			cis	-156	-172.1	32.1	-112.9	135.5	-179.5	150.4	0	107.8
912	D	26.4	Very low	31	Very low	128 Å²	128	141.3 Å²	141.3	68%	0.684	74%	0.741	S	S	*	*			cis	-141.4	155.9	8.1	-136.2	-41	0	0	0	114.1
913	S	34.1	Very low	29.2	Very low	85 Å²	85	141.7 Å²	141.7	59%	0.594	75%	0.745	S	S	*	*			trans	-46.8	155.7	159.3	-16.8	0	0	0	0	113.9
914	K	26	Very low	28.2	Very low	205 Å²	205	146.3 Å²	146.3	89%	0.891	76%	0.757	S	S	*	*				-151.8	136.5	119.6	-122.2	172.7	-176.1	178.8	0	112.3
915	E	27.2	Very low	27.4	Very low	169 Å²	169	144.7 Å²	144.7	79%	0.79	76%	0.758	S	S	*	*			trans	-72.4	165.8	172.5	-62.1	126.2	127.6	0	0	111.3
916	K	25.6	Very low	27.2	Very low	197 Å²	197	143 Å²	143	86%	0.857	75%	0.748	S	S	*	*			trans	-131.3	149	137.9	-98.2	-158	168.6	-163.5	0	110.3
917	E	24	Very low	27.3	Very low	164 Å²	164	141.2 Å²	141.2	77%	0.766	74%	0.739	S	S	*	*			trans	-58.9	160.9	173.6	-56.4	94.9	156.5	0	0	111.3
918	G	25.3	Very low	26.8	Very low	67 Å²	67	142.4 Å²	142.4	69%	0.691	74%	0.736	S	S	*	*			cis	108.9	61.6	12.3	0	0	0	0	0	111.9
919	L	22.9	Very low	26.6	Very low	154 Å²	154	142 Å²	142	81%	0.806	73%	0.729	S	S	*	*			trans	-137	130.3	153.2	-81.8	116.4	0	0	0	104.2
920	D	20.9	Very low	26.4	Very low	128 Å²	128	146.5 Å²	146.5	68%	0.684	74%	0.735	S	S	*	*				60.6	128.7	74	-63.8	-39.8	0	0	0	111.7
921	W	20.9	Very low	25.9	Very low	218 Å²	218	144.1 Å²	144.1	83%	0.826	72%	0.724	S	S	*	*			cis	-150.7	144.3	15.8	-175.7	-110.9	0	0	0	110.7
922	F	29	Very low	25.6	Very low	187 Å²	187	144.6 Å²	144.6	82%	0.82	73%	0.726	S	S	*	*			trans	-75.4	134.4	164.6	-90	-92.1	0	0	0	109.1
923	P	25	Very low	25.4	Very low	101 Å²	101	143.3 Å²	143.3	66%	0.656	73%	0.727	S	S	*	*				-136.8	141.5	112.8	36.5	-25	0	0	0	111.1
924	E	22.8	Very low	25	Very low	133 Å²	133	148.6 Å²	148.6	62%	0.621	74%	0.742	S	S	*	*				60.3	108	59.2	-73.5	-159	129.7	0	0	114.6	H926	E924-H926 VanDerWaalsContact CD-NE2 3.28Å; E924-H926 IonicContact OE1-CD2 3.63Å; E924-H926 IonicContact OE1-CE1 3.79Å; E924-H926 IonicContact OE1-NE2 3.93Å; E924-H926 PolarHBondContact OE1-NE2 3.14Å; E924-H926 IonicContact OE2-NE2 2.6Å
925	S	23.7	Very low	24.8	Very low	122 Å²	122	145.8 Å²	145.8	85%	0.853	74%	0.735	S	S	*	*			trans	-153.4	116.1	137.9	-72.3	0	0	0	0	105.7
926	H	28.4	Very low	24.7	Very low	134 Å²	134	143.6 Å²	143.6	62%	0.62	73%	0.734	S	S	*	*			cis	61.1	149.7	44.2	-66.5	-49.9	0	0	0	113.4	E924	E924-H926 VanDerWaalsContact CD-NE2 3.28Å; E924-H926 IonicContact OE1-CD2 3.63Å; E924-H926 IonicContact OE1-CE1 3.79Å; E924-H926 IonicContact OE1-NE2 3.93Å; E924-H926 PolarHBondContact OE1-NE2 3.14Å; E924-H926 IonicContact OE2-NE2 2.6Å
927	P	35.5	Very low	24.7	Very low	109 Å²	109	144 Å²	144	71%	0.708	73%	0.73	S	S	*	*			cis	-108.6	177.6	10.4	32.2	-13.8	0	0	0	112.8
928	V	23.9	Very low	24.7	Very low	123 Å²	123	144 Å²	144	75%	0.745	73%	0.727	S	S	*	*	S	Bend	cis	-158.1	139	45.9	167.8	0	0	0	0	108.7
929	Q	26.8	Very low	24.6	Very low	144 Å²	144	147.8 Å²	147.8	67%	0.673	73%	0.732	S	S	*	*			cis	-161.6	174.6	-11	-119.6	-159.8	108.6	0	0	112
930	R	23.5	Very low	24.7	Very low	192 Å²	192	145.8 Å²	145.8	73%	0.725	73%	0.726	S	S	*	*			trans	-7.2	160.6	135.2	-72	-178.7	114.9	159	6.5	119.2
931	E	21.3	Very low	24.9	Very low	109 Å²	109	146.6 Å²	146.6	51%	0.509	73%	0.73	S	S	.	*			cis	-171.8	159.1	-22.3	-115.4	-172.5	113.8	0	0	108.1
932	K	23.7	Very low	25.2	Very low	168 Å²	168	141.4 Å²	141.4	73%	0.73	73%	0.727	S	S	*	*			trans	35.8	107	146.7	-67.9	173.8	-176.6	146.4	0	121.3
933	S	22.2	Very low	25.6	Very low	101 Å²	101	137.4 Å²	137.4	71%	0.706	72%	0.72	S	S	*	*				56.3	129.9	123.7	67.8	0	0	0	0	122.3
934	H	25.8	Very low	25.7	Very low	196 Å²	196	143.4 Å²	143.4	91%	0.907	73%	0.73	S	S	*	*			trans	-142.3	161.7	133.9	-106.4	-82.8	0	0	0	112.2
935	I	22.7	Very low	25.9	Very low	145 Å²	145	146.3 Å²	146.3	74%	0.744	74%	0.74	S	S	*	*			trans	-92.1	138.7	-168.1	-56.7	156.7	0	0	0	110.7
936	T	25.3	Very low	25.9	Very low	123 Å²	123	149.4 Å²	149.4	76%	0.755	74%	0.738	S	S	*	*				178.2	126	125.1	26.8	0	0	0	0	118
937	R	24.9	Very low	25.7	Very low	206 Å²	206	147.9 Å²	147.9	78%	0.777	74%	0.743	S	S	*	*			trans	58.2	128	130.5	-79	178.1	160.7	173.6	-4	124.3
938	K	24.5	Very low	25.3	Very low	164 Å²	164	149.3 Å²	149.3	71%	0.713	74%	0.74	S	S	*	*			trans	87.9	120.3	135.5	-73.2	174.8	176.2	-172.4	0	120.3
939	N	22.5	Very low	25.4	Very low	147 Å²	147	151 Å²	151	79%	0.786	74%	0.74	S	S	*	*				33.9	146	117.4	-43.1	5.4	0	0	0	119.2
940	T	25.5	Very low	25.4	Very low	112 Å²	112	149.8 Å²	149.8	69%	0.687	74%	0.738	S	S	*	*			cis	-143.1	-179.5	27.1	55.4	0	0	0	0	115.2
941	D	25.6	Very low	26.3	Very low	145 Å²	145	145.2 Å²	145.2	78%	0.775	73%	0.733	S	S	*	*			trans	74.8	101.9	147.5	-58.6	-42.7	0	0	0	123.1
942	S	26	Very low	27	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	73%	0.734	S	S	*	*			trans	-64	172.2	139.7	-75.2	0	0	0	0	111.3
943	P	37.8	Very low	27	Very low	103 Å²	103	143.3 Å²	143.3	67%	0.669	74%	0.738	S	S	*	*			cis	-159	-176	38.4	46.3	-24.4	0	0	0	120.7
944	R	26.4	Very low	27.5	Very low	228 Å²	228	148.1 Å²	148.1	86%	0.86	74%	0.74	S	S	*	*			trans	76.4	149.1	163.8	-66.5	165.2	175.3	178.8	-2.2	115.2
945	K	28.2	Very low	27.9	Very low	194 Å²	194	143.1 Å²	143.1	84%	0.843	72%	0.724	S	S	*	*			cis	-145.9	166.7	12.9	-138.4	168.9	-175.3	-179.8	0	113.2
946	K	24.3	Very low	28.3	Very low	187 Å²	187	142.6 Å²	142.6	81%	0.813	72%	0.716	S	S	*	*			trans	-66.2	172.1	-178	-53.3	176.5	178.6	-174.5	0	112.9
947	S	24.1	Very low	28.9	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	71%	0.71	S	S	*	*			cis	-146.7	160.3	21.1	62.7	0	0	0	0	110.9
948	E	25.9	Very low	29.9	Very low	138 Å²	138	142.5 Å²	142.5	65%	0.645	71%	0.714	S	S	*	*				58.2	135.7	56.4	-53.8	-165.6	107.9	0	0	114.8
949	Q	26.4	Very low	31.7	Very low	159 Å²	159	136.3 Å²	136.3	74%	0.743	70%	0.697	S	S	*	*			cis	-165.3	142.4	-6.7	-114.3	-173.1	52.8	0	0	111.9
950	D	26.9	Very low	34	Very low	118 Å²	118	130.1 Å²	130.1	63%	0.631	66%	0.663	S	S	*	*			trans	29.1	-173.4	143.1	-128	14.7	0	0	0	121.6	K952	D950-K952 IonicContact OD2-NZ 3.42Å
951	P	42.1	Very low	36.1	Very low	97 Å²	97	128.8 Å²	128.8	63%	0.63	65%	0.654	S	S	*	*			cis	-135.6	154.4	-16.7	38.6	-19.9	0	0	0	119.1
952	K	35.6	Very low	38.4	Very low	120 Å²	120	121.9 Å²	121.9	52%	0.522	62%	0.618	S	S	.	*			trans	38.7	139.7	137.1	-56.3	163.8	-172.2	138.6	0	122.9	D950 E1063	D950-K952 IonicContact OD2-NZ 3.42Å; K952-E1063 IonicContact NZ-OE2 2.84Å; K952-E1063 PolarHBondContact NZ-OE2 2.9Å
953	S	24.1	Very low	40.3	Very low	117 Å²	117	119 Å²	119	82%	0.818	61%	0.605	S	S	*	*			trans	-141.6	141.9	133.2	70.2	0	0	0	0	112.6
954	R	32.1	Very low	41.5	Very low	202 Å²	202	118.1 Å²	118.1	76%	0.762	59%	0.592	S	S	*	*			trans	-108.2	142.6	171.9	-84	-175.8	174.1	175.9	-3.9	108.8
955	V	34.5	Very low	43.7	Very low	91 Å²	91	109.9 Å²	109.9	55%	0.552	57%	0.569	S	S	*	*			trans	-107.2	142.2	170.3	-177.7	0	0	0	0	109.3	P888 L892	P888-V955 HydrophobicContact CG-CG2 4.25Å; L892-V955 HydrophobicContact CD1-CG2 4.33Å
956	K	32.5	Very low	45.7	Very low	134 Å²	134	107 Å²	107	58%	0.583	56%	0.561	S	S	*	*			trans	-96.2	146.9	-175.5	-60.5	-165.5	172.4	-148.1	0	112.2	D1014	K956-D1014 IonicContact NZ-OD2 2.91Å; K956-D1014 PolarHBondContact NZ-OD2 2.83Å
957	P	37.7	Very low	47.7	Very low	97 Å²	97	103 Å²	103	63%	0.63	55%	0.546	S	S	*	.			trans	-62	143	169.7	-19.7	32.4	0	0	0	111.8	R993	P957-R993 PolarHBondContact O-NH1 2.71Å; P957-R993 VanDerWaalsContact O-NH1 3.15Å
958	R	45	Very low	49.8	Very low	229 Å²	229	102.7 Å²	102.7	86%	0.864	54%	0.543	S	S	*	.			trans	-103.5	-27.8	-171.7	-141.8	177.2	-165.2	-89.1	3.5	115.6	R993	R958-R993 VanDerWaalsContact C-NH1 3.27Å; R958-R993 VanDerWaalsContact O-CZ 3.3Å; R958-R993 PolarHBondContact O-NH1 2.88Å; R958-R993 PolarHBondContact O-NH2 2.9Å
959	G	61.6	Low	52.2	Low	35 Å²	35	97.4 Å²	97.4	36%	0.361	52%	0.518	S	S	.	.	S	Bend	trans	-80.7	-174.6	174	0	0	0	0	0	114	R993	G959-R993 PolarHBondContact O-NH1 2.82Å; G959-R993 PolarHBondContact O-NH2 3.45Å
960	W	72.4	Confident	54.3	Low	17 Å²	17	94.1 Å²	94.1	6%	0.064	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.9	167.6	-58.7	88.9	0	0	0	109.3	C968 F969 E971 R972 Y975 P991 C992 R993	W960-C968 WeakPolarHBondContact O-CA 3.41Å; W960-F969 HydrophobicContact CB-CB 4.46Å; W960-F969 PolarHBondContact N-O 3.18Å; W960-F969 PolarHBondContact O-N 2.9Å; W960-E971 VanDerWaalsContact CD1-C 3.48Å; W960-E971 VanDerWaalsContact CD1-O 3.29Å; W960-R972 HydrophobicContact CH2-CG 4.32Å; W960-R972 HydrophobicContact CZ2-CB 3.71Å; W960-R972 HydrophobicContact CZ2-CG 3.76Å; W960-Y975 HydrophobicContact CB-CD1 3.8Å; W960-Y975 HydrophobicContact CB-CD2 4.47Å; W960-Y975 HydrophobicContact CB-CG 3.75Å; W960-Y975 AromaticContact CD2-CD1 3.9Å; W960-Y975 HydrophobicContact CD2-CD1 3.9Å; W960-Y975 AromaticContact CE3-CD1 3.62Å; W960-Y975 HydrophobicContact CE3-CD1 3.62Å; W960-Y975 AromaticContact CE3-CE1 3.88Å; W960-Y975 HydrophobicContact CE3-CE1 3.88Å; W960-Y975 HydrophobicContact CG-CD1 4.01Å; W960-Y975 HydrophobicContact CG-CG 4.28Å; W960-Y975 HydrophobicContact CZ3-CD1 4.48Å; W960-P991 HydrophobicContact CH2-CG 3.98Å; W960-P991 WeakPolarHBondContact CH2-O 3.41Å; W960-P991 HydrophobicContact CZ3-CB 4.17Å; W960-P991 HydrophobicContact CZ3-CG 3.78Å; W960-P991 WeakPolarHBondContact CZ3-O 3.33Å; W960-C992 WeakPolarHBondContact CZ3-O 3.14Å; W960-R993 HydrophobicContact CD2-CG 4.17Å; W960-R993 HydrophobicContact CE3-CG 3.49Å; W960-R993 VanDerWaalsContact CE3-CG 3.49Å; W960-R993 HydrophobicContact CH2-CG 3.89Å; W960-R993 HydrophobicContact CZ3-CG 3.33Å
961	T	68.3	Low	56.4	Low	83 Å²	83	94.6 Å²	94.6	51%	0.509	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	124.7	-179.2	51.7	0	0	0	0	108	Q967	T961-Q967 WeakPolarHBondContact CA-O 3.48Å
962	C	75.5	Confident	57.9	Low	1 Å²	1	93.9 Å²	93.9	1%	0.007	50%	0.501	C	S	.	.			trans	-63.5	138.7	172.6	-175	0	0	0	0	110.1	E964 C965 L966 Q967 Y975 H978 M979	C962-E964 PolarHBondContact SG-N 3.18Å; C962-C965 WeakPolarHBondContact CB-SG 3.35Å; C962-L966 WeakPolarHBondContact O-CA 3.29Å; C962-L966 PolarHBondContact O-N 3.39Å; C962-Q967 PolarHBondContact N-O 2.88Å; C962-Y975 HydrophobicContact CB-CE2 4.03Å; C962-H978 WeakPolarHBondContact CB-NE2 3.15Å; C962-H978 PolarHBondContact SG-NE2 3.5Å; C962-H978 VanDerWaalsContact SG-NE2 3.44Å; C962-M979 WeakPolarHBondContact SG-CE 3.36Å
963	G	64.1	Low	60	Low	47 Å²	47	93.6 Å²	93.6	49%	0.485	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-35.1	174.9	0	0	0	0	0	112.4
964	E	62.9	Low	62.5	Low	85 Å²	85	90.4 Å²	90.4	40%	0.397	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-49.1	-168.9	-65.6	167	-124.6	0	0	112.9	C962 H983 K985	C962-E964 PolarHBondContact SG-N 3.18Å; E964-H983 VanDerWaalsContact CB-CE1 3.45Å; E964-H983 WeakPolarHBondContact CB-CE1 3.32Å; E964-H983 IonicContact OE2-CE1 3.75Å; E964-H983 IonicContact OE2-CG 3.44Å; E964-H983 IonicContact OE2-ND1 2.71Å; E964-H983 PolarHBondContact OE2-ND1 3.48Å; E964-K985 WeakPolarHBondContact OE1-CD 3.42Å; E964-K985 WeakPolarHBondContact OE1-CE 3.45Å; E964-K985 IonicContact OE1-NZ 3.85Å; E964-K985 PolarHBondContact OE1-NZ 3.16Å; E964-K985 IonicContact OE2-NZ 2.82Å
965	C	73.1	Confident	64.8	Low	55 Å²	55	81.1 Å²	81.1	37%	0.372	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	2.1	179.6	69.6	0	0	0	0	114.1	C962 Q967 H978 H983	C962-C965 WeakPolarHBondContact CB-SG 3.35Å; C965-Q967 PolarHBondContact O-N 2.71Å; C965-Q967 VanDerWaalsContact SG-CB 3.56Å; C965-H978 PolarHBondContact SG-CE1 3.49Å; C965-H978 PolarHBondContact SG-NE2 3.35Å; C965-H983 PolarHBondContact SG-NE2 3.17Å
966	L	70	Confident	66.9	Low	132 Å²	132	78.8 Å²	78.8	69%	0.691	43%	0.43	S	S	*	.			trans	57.9	5.8	-178.3	-56	178.3	0	0	0	116	C962	C962-L966 WeakPolarHBondContact O-CA 3.29Å; C962-L966 PolarHBondContact O-N 3.39Å
967	Q	66.2	Low	69.1	Low	104 Å²	104	75 Å²	75	49%	0.486	42%	0.42	S	S	.	.			trans	-64.9	136.6	-177.3	-162.8	171.9	22.1	0	0	111.6	T961 C962 C965 F969	T961-Q967 WeakPolarHBondContact CA-O 3.48Å; C962-Q967 PolarHBondContact N-O 2.88Å; C965-Q967 PolarHBondContact O-N 2.71Å; C965-Q967 VanDerWaalsContact SG-CB 3.56Å; Q967-F969 HydrophobicContact CB-CE2 3.8Å; Q967-F969 HydrophobicContact CB-CZ 3.79Å; Q967-F969 HydrophobicContact CG-CE1 4.16Å; Q967-F969 HydrophobicContact CG-CE2 4Å; Q967-F969 HydrophobicContact CG-CZ 3.56Å; Q967-F969 WeakPolarHBondContact O-CD2 3.32Å; Q967-F969 WeakPolarHBondContact O-CE2 3.16Å
968	C	69.6	Low	71.1	Confident	96 Å²	96	70.8 Å²	70.8	65%	0.649	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	123.7	-171.9	-69.4	0	0	0	0	111.7	W960	W960-C968 WeakPolarHBondContact O-CA 3.41Å
969	F	76.1	Confident	72.7	Confident	26 Å²	26	60 Å²	60	11%	0.114	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.7	-178.7	-56.8	-80.5	0	0	0	111.4	W960 Q967 S974 Y975 H978	W960-F969 HydrophobicContact CB-CB 4.46Å; W960-F969 PolarHBondContact N-O 3.18Å; W960-F969 PolarHBondContact O-N 2.9Å; Q967-F969 HydrophobicContact CB-CE2 3.8Å; Q967-F969 HydrophobicContact CB-CZ 3.79Å; Q967-F969 HydrophobicContact CG-CE1 4.16Å; Q967-F969 HydrophobicContact CG-CE2 4Å; Q967-F969 HydrophobicContact CG-CZ 3.56Å; Q967-F969 WeakPolarHBondContact O-CD2 3.32Å; Q967-F969 WeakPolarHBondContact O-CE2 3.16Å; F969-S974 WeakPolarHBondContact CD1-OG 3.19Å; F969-Y975 AromaticContact CD2-CD2 3.81Å; F969-Y975 HydrophobicContact CD2-CD2 3.81Å; F969-Y975 HydrophobicContact CD2-CG 4.34Å; F969-Y975 HydrophobicContact CE2-CD2 4.16Å; F969-H978 HydrophobicContact CE1-CB 3.9Å; F969-H978 HydrophobicContact CE2-CB 3.98Å; F969-H978 AromaticContact CE2-CD2 3.31Å; F969-H978 WeakPolarHBondContact CE2-CD2 3.47Å; F969-H978 AromaticContact CE2-CG 3.53Å; F969-H978 AromaticContact CE2-NE2 3.8Å; F969-H978 HydrophobicContact CZ-CB 3.52Å; F969-H978 AromaticContact CZ-CD2 3.5Å; F969-H978 VanDerWaalsContact CZ-CD2 3.5Å; F969-H978 WeakPolarHBondContact CZ-CD2 3.06Å; F969-H978 AromaticContact CZ-CE1 3.96Å; F969-H978 AromaticContact CZ-CG 3.19Å; F969-H978 AromaticContact CZ-ND1 3.52Å; F969-H978 AromaticContact CZ-NE2 3.95Å
970	A	70.8	Confident	73.5	Confident	90 Å²	90	65.2 Å²	65.2	74%	0.744	36%	0.364	S	S	*	.	S	Bend	trans	-71.9	-32	179.6	0	0	0	0	0	112.6
971	E	70.1	Confident	73.6	Confident	129 Å²	129	70.8 Å²	70.8	60%	0.603	39%	0.394	S	S	*	.	S	Bend	trans	-121.7	155.8	-169.6	-65.6	175.9	175.2	0	0	110.2	W960 E973	W960-E971 VanDerWaalsContact CD1-C 3.48Å; W960-E971 VanDerWaalsContact CD1-O 3.29Å; E971-E973 VanDerWaalsContact C-N 3.34Å
972	R	74.4	Confident	73.6	Confident	82 Å²	82	71.7 Å²	71.7	31%	0.309	40%	0.396	S	S	.	.	H	α-helix	trans	-72.1	-39.1	-178.2	173.5	-161.5	-69.1	128.6	-10.4	110	W960 S974 Y975 V976 P991	W960-R972 HydrophobicContact CH2-CG 4.32Å; W960-R972 HydrophobicContact CZ2-CB 3.71Å; W960-R972 HydrophobicContact CZ2-CG 3.76Å; R972-S974 VanDerWaalsContact C-N 3.33Å; R972-S974 PolarHBondContact O-N 3.31Å; R972-Y975 WeakPolarHBondContact O-CA 3.18Å; R972-Y975 WeakPolarHBondContact O-CB 3.44Å; R972-Y975 PolarHBondContact O-N 2.99Å; R972-V976 HydrophobicContact CG-CG2 4.09Å; R972-V976 WeakPolarHBondContact O-CG2 3.1Å; R972-V976 PolarHBondContact O-N 3.47Å; R972-P991 HydrophobicContact CG-CG 4.31Å
973	E	78.1	Confident	73.7	Confident	113 Å²	113	74 Å²	74	53%	0.528	41%	0.406	S	S	.	.	H	α-helix	trans	-65.1	-42.6	-170	-64	61.7	-140.2	0	0	109.1	E971 Y975 V976 S977	E971-E973 VanDerWaalsContact C-N 3.34Å; E973-Y975 VanDerWaalsContact C-N 3.35Å; E973-Y975 PolarHBondContact O-N 3.07Å; E973-V976 PolarHBondContact O-N 3.19Å; E973-S977 PolarHBondContact O-N 3.04Å; E973-S977 PolarHBondContact O-OG 2.88Å
974	S	78	Confident	73.8	Confident	51 Å²	51	74.6 Å²	74.6	36%	0.357	41%	0.413	S	S	.	.	H	α-helix	trans	-67.1	-25.6	170.3	-178.3	0	0	0	0	114.8	F969 R972 S977 H978	F969-S974 WeakPolarHBondContact CD1-OG 3.19Å; R972-S974 VanDerWaalsContact C-N 3.33Å; R972-S974 PolarHBondContact O-N 3.31Å; S974-S977 WeakPolarHBondContact CA-OG 3.33Å; S974-S977 PolarHBondContact O-OG 3.31Å; S974-H978 WeakPolarHBondContact O-CB 3.26Å; S974-H978 PolarHBondContact O-N 3.45Å
975	Y	79.9	Confident	74	Confident	7 Å²	7	74.6 Å²	74.6	3%	0.027	41%	0.412	C	S	.	.	H	α-helix	trans	-79.4	-40.1	174.7	171.6	-126.5	0	0	0	111.3	W960 C962 F969 R972 E973 H978 M979 M987 P991	W960-Y975 HydrophobicContact CB-CD1 3.8Å; W960-Y975 HydrophobicContact CB-CD2 4.47Å; W960-Y975 HydrophobicContact CB-CG 3.75Å; W960-Y975 AromaticContact CD2-CD1 3.9Å; W960-Y975 HydrophobicContact CD2-CD1 3.9Å; W960-Y975 AromaticContact CE3-CD1 3.62Å; W960-Y975 HydrophobicContact CE3-CD1 3.62Å; W960-Y975 AromaticContact CE3-CE1 3.88Å; W960-Y975 HydrophobicContact CE3-CE1 3.88Å; W960-Y975 HydrophobicContact CG-CD1 4.01Å; W960-Y975 HydrophobicContact CG-CG 4.28Å; W960-Y975 HydrophobicContact CZ3-CD1 4.48Å; C962-Y975 HydrophobicContact CB-CE2 4.03Å; F969-Y975 AromaticContact CD2-CD2 3.81Å; F969-Y975 HydrophobicContact CD2-CD2 3.81Å; F969-Y975 HydrophobicContact CD2-CG 4.34Å; F969-Y975 HydrophobicContact CE2-CD2 4.16Å; R972-Y975 WeakPolarHBondContact O-CA 3.18Å; R972-Y975 WeakPolarHBondContact O-CB 3.44Å; R972-Y975 PolarHBondContact O-N 2.99Å; E973-Y975 VanDerWaalsContact C-N 3.35Å; E973-Y975 PolarHBondContact O-N 3.07Å; Y975-H978 PolarHBondContact O-N 3.48Å; Y975-M979 HydrophobicContact CD2-CG 3.87Å; Y975-M979 HydrophobicContact CD2-SD 4.48Å; Y975-M979 HydrophobicContact CE2-CG 3.36Å; Y975-M979 HydrophobicContact CE2-SD 3.44Å; Y975-M979 WeakPolarHBondContact CE2-SD 3.37Å; Y975-M979 VanDerWaalsContact CZ-SD 3.57Å; Y975-M979 WeakPolarHBondContact O-CG 3.45Å; Y975-M979 PolarHBondContact O-N 3.48Å; Y975-M979 PolarHBondContact OH-SD 3.48Å; Y975-M987 HydrophobicContact CE1-CE 4.47Å; Y975-P991 HydrophobicContact CE1-CB 4.5Å
976	V	78.5	Confident	73.5	Confident	41 Å²	41	75.9 Å²	75.9	25%	0.248	42%	0.421	C	S	.	.	H	α-helix	trans	-65.5	-44.2	175.8	169.2	0	0	0	0	111.1	R972 E973 M979 K980 M987 P991	R972-V976 HydrophobicContact CG-CG2 4.09Å; R972-V976 WeakPolarHBondContact O-CG2 3.1Å; R972-V976 PolarHBondContact O-N 3.47Å; E973-V976 PolarHBondContact O-N 3.19Å; V976-M979 PolarHBondContact O-N 2.84Å; V976-K980 PolarHBondContact O-N 3.45Å; V976-M987 HydrophobicContact CG1-CB 4.2Å; V976-M987 HydrophobicContact CG2-CB 4.16Å; V976-P991 HydrophobicContact CG2-CG 4.22Å
977	S	77.9	Confident	73.6	Confident	54 Å²	54	70.9 Å²	70.9	38%	0.378	39%	0.394	S	S	.	.	H	α-helix	trans	-65.2	-40.4	174.1	63.9	0	0	0	0	111.9	E973 S974 M979 K980 I981	E973-S977 PolarHBondContact O-N 3.04Å; E973-S977 PolarHBondContact O-OG 2.88Å; S974-S977 WeakPolarHBondContact CA-OG 3.33Å; S974-S977 PolarHBondContact O-OG 3.31Å; S977-M979 PolarHBondContact O-N 3.29Å; S977-K980 PolarHBondContact O-N 3.25Å; S977-I981 VanDerWaalsContact O-CB 3.29Å; S977-I981 WeakPolarHBondContact O-CB 3.29Å; S977-I981 WeakPolarHBondContact O-CD1 3.5Å; S977-I981 WeakPolarHBondContact O-CG1 3.47Å; S977-I981 PolarHBondContact O-N 3.2Å
978	H	81.3	Confident	74	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.046	39%	0.392	C	S	.	.	H	α-helix	trans	-58.3	-44.8	173.9	160.6	73.2	0	0	0	112.6	C962 C965 F969 S974 Y975 I981 N982 H983	C962-H978 WeakPolarHBondContact CB-NE2 3.15Å; C962-H978 PolarHBondContact SG-NE2 3.5Å; C962-H978 VanDerWaalsContact SG-NE2 3.44Å; C965-H978 PolarHBondContact SG-CE1 3.49Å; C965-H978 PolarHBondContact SG-NE2 3.35Å; F969-H978 HydrophobicContact CE1-CB 3.9Å; F969-H978 HydrophobicContact CE2-CB 3.98Å; F969-H978 AromaticContact CE2-CD2 3.31Å; F969-H978 WeakPolarHBondContact CE2-CD2 3.47Å; F969-H978 AromaticContact CE2-CG 3.53Å; F969-H978 AromaticContact CE2-NE2 3.8Å; F969-H978 HydrophobicContact CZ-CB 3.52Å; F969-H978 AromaticContact CZ-CD2 3.5Å; F969-H978 VanDerWaalsContact CZ-CD2 3.5Å; F969-H978 WeakPolarHBondContact CZ-CD2 3.06Å; F969-H978 AromaticContact CZ-CE1 3.96Å; F969-H978 AromaticContact CZ-CG 3.19Å; F969-H978 AromaticContact CZ-ND1 3.52Å; F969-H978 AromaticContact CZ-NE2 3.95Å; S974-H978 WeakPolarHBondContact O-CB 3.26Å; S974-H978 PolarHBondContact O-N 3.45Å; Y975-H978 PolarHBondContact O-N 3.48Å; H978-I981 PolarHBondContact O-N 3.46Å; H978-N982 PolarHBondContact ND1-ND2 2.86Å; H978-N982 VanDerWaalsContact ND1-ND2 3.14Å; H978-N982 WeakPolarHBondContact O-CB 3.31Å; H978-N982 PolarHBondContact O-N 3.27Å; H978-N982 PolarHBondContact O-ND2 2.83Å; H978-H983 AromaticContact CE1-CD2 3.64Å; H978-H983 AromaticContact CE1-NE2 3.41Å; H978-H983 PolarHBondContact CE1-NE2 2.86Å; H978-H983 AromaticContact NE2-CD2 3.55Å; H978-H983 AromaticContact NE2-NE2 3.39Å; H978-H983 PolarHBondContact NE2-NE2 2.82Å
979	M	77.4	Confident	74	Confident	1 Å²	1	74.2 Å²	74.2	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-65.2	-45	178.6	-64.7	-100.3	56.9	0	0	111.5	C962 Y975 V976 S977 I981 H983 G984 K985 M987	C962-M979 WeakPolarHBondContact SG-CE 3.36Å; Y975-M979 HydrophobicContact CD2-CG 3.87Å; Y975-M979 HydrophobicContact CD2-SD 4.48Å; Y975-M979 HydrophobicContact CE2-CG 3.36Å; Y975-M979 HydrophobicContact CE2-SD 3.44Å; Y975-M979 WeakPolarHBondContact CE2-SD 3.37Å; Y975-M979 VanDerWaalsContact CZ-SD 3.57Å; Y975-M979 WeakPolarHBondContact O-CG 3.45Å; Y975-M979 PolarHBondContact O-N 3.48Å; Y975-M979 PolarHBondContact OH-SD 3.48Å; V976-M979 PolarHBondContact O-N 2.84Å; S977-M979 PolarHBondContact O-N 3.29Å; M979-I981 PolarHBondContact O-N 2.61Å; M979-H983 HydrophobicContact CE-CB 3.57Å; M979-H983 VanDerWaalsContact CE-CD2 3.48Å; M979-H983 WeakPolarHBondContact CE-CD2 3.33Å; M979-H983 VanDerWaalsContact CE-CG 3.46Å; M979-H983 CarbonylContact O-C 3.57Å; M979-H983 WeakPolarHBondContact O-CA 3.2Å; M979-H983 WeakPolarHBondContact O-CB 3.47Å; M979-H983 PolarHBondContact O-N 3.39Å; M979-H983 VanDerWaalsContact O-N 3.16Å; M979-G984 PolarHBondContact O-N 3.18Å; M979-K985 CarbonylContact C-O 3.51Å; M979-M987 HydrophobicContact CB-CG 4.14Å; M979-M987 HydrophobicContact CG-CE 4.36Å; M979-M987 HydrophobicContact CG-CG 4.42Å; M979-M987 HydrophobicContact SD-CE 3.88Å
980	K	78.3	Confident	73.9	Confident	146 Å²	146	76.8 Å²	76.8	64%	0.635	41%	0.406	S	S	*	.	H	α-helix	trans	-62.9	-41.8	175.8	-175.5	166.2	-178.3	167.9	0	112.4	V976 S977 G984	V976-K980 PolarHBondContact O-N 3.45Å; S977-K980 PolarHBondContact O-N 3.25Å; K980-G984 PolarHBondContact O-N 2.99Å
981	I	75.5	Confident	74.3	Confident	133 Å²	133	72.5 Å²	72.5	68%	0.682	37%	0.371	S	S	*	.	H	α-helix	trans	-81.6	-40.5	-172.4	-65.8	166.3	0	0	0	113.3	S977 H978 M979	S977-I981 VanDerWaalsContact O-CB 3.29Å; S977-I981 WeakPolarHBondContact O-CB 3.29Å; S977-I981 WeakPolarHBondContact O-CD1 3.5Å; S977-I981 WeakPolarHBondContact O-CG1 3.47Å; S977-I981 PolarHBondContact O-N 3.2Å; H978-I981 PolarHBondContact O-N 3.46Å; M979-I981 PolarHBondContact O-N 2.61Å
982	N	68.3	Low	74.7	Confident	103 Å²	103	66.5 Å²	66.5	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-103.9	-13.7	-170.1	-53.6	-93.6	0	0	0	113.3	H978	H978-N982 PolarHBondContact ND1-ND2 2.86Å; H978-N982 VanDerWaalsContact ND1-ND2 3.14Å; H978-N982 WeakPolarHBondContact O-CB 3.31Å; H978-N982 PolarHBondContact O-N 3.27Å; H978-N982 PolarHBondContact O-ND2 2.83Å
983	H	77	Confident	74.5	Confident	48 Å²	48	66.8 Å²	66.8	22%	0.222	34%	0.344	C	S	.	.	H	α-helix	trans	-134.7	2.5	-173.6	-63	-92.2	0	0	0	113.2	E964 C965 H978 M979 K985	E964-H983 VanDerWaalsContact CB-CE1 3.45Å; E964-H983 WeakPolarHBondContact CB-CE1 3.32Å; E964-H983 IonicContact OE2-CE1 3.75Å; E964-H983 IonicContact OE2-CG 3.44Å; E964-H983 IonicContact OE2-ND1 2.71Å; E964-H983 PolarHBondContact OE2-ND1 3.48Å; C965-H983 PolarHBondContact SG-NE2 3.17Å; H978-H983 AromaticContact CE1-CD2 3.64Å; H978-H983 AromaticContact CE1-NE2 3.41Å; H978-H983 PolarHBondContact CE1-NE2 2.86Å; H978-H983 AromaticContact NE2-CD2 3.55Å; H978-H983 AromaticContact NE2-NE2 3.39Å; H978-H983 PolarHBondContact NE2-NE2 2.82Å; M979-H983 HydrophobicContact CE-CB 3.57Å; M979-H983 VanDerWaalsContact CE-CD2 3.48Å; M979-H983 WeakPolarHBondContact CE-CD2 3.33Å; M979-H983 VanDerWaalsContact CE-CG 3.46Å; M979-H983 CarbonylContact O-C 3.57Å; M979-H983 WeakPolarHBondContact O-CA 3.2Å; M979-H983 WeakPolarHBondContact O-CB 3.47Å; M979-H983 PolarHBondContact O-N 3.39Å; M979-H983 VanDerWaalsContact O-N 3.16Å; H983-K985 PolarHBondContact O-N 3.14Å
984	G	67.3	Low	74.1	Confident	61 Å²	61	65.8 Å²	65.8	63%	0.629	34%	0.339	S	S	*	.			trans	68.7	-27.2	-178.9	0	0	0	0	0	116	M979 K980 S986	M979-G984 PolarHBondContact O-N 3.18Å; K980-G984 PolarHBondContact O-N 2.99Å; G984-S986 PolarHBondContact O-N 3.17Å; G984-S986 VanDerWaalsContact O-N 3.16Å
985	K	66.9	Low	73.9	Confident	85 Å²	85	65.7 Å²	65.7	37%	0.37	34%	0.338	S	S	.	.			trans	-62.5	112.5	-173	-69.9	176.2	179.4	170.2	0	112.8	E964 M979 H983 E996	E964-K985 WeakPolarHBondContact OE1-CD 3.42Å; E964-K985 WeakPolarHBondContact OE1-CE 3.45Å; E964-K985 IonicContact OE1-NZ 3.85Å; E964-K985 PolarHBondContact OE1-NZ 3.16Å; E964-K985 IonicContact OE2-NZ 2.82Å; M979-K985 CarbonylContact C-O 3.51Å; H983-K985 PolarHBondContact O-N 3.14Å; K985-E996 IonicContact NZ-OE2 2.74Å; K985-E996 PolarHBondContact NZ-OE2 2.96Å
986	S	62.3	Low	73.3	Confident	81 Å²	81	69.9 Å²	69.9	57%	0.566	36%	0.357	S	S	*	.			trans	-68.9	131.4	169.5	69.7	0	0	0	0	110.1	G984	G984-S986 PolarHBondContact O-N 3.17Å; G984-S986 VanDerWaalsContact O-N 3.16Å
987	M	71.4	Confident	73.1	Confident	27 Å²	27	72.7 Å²	72.7	13%	0.133	37%	0.37	C	S	.	.			trans	-112.9	109	-173.1	-86.8	-73.3	-160.3	0	0	111.4	Y975 V976 M979 P991 S998	Y975-M987 HydrophobicContact CE1-CE 4.47Å; V976-M987 HydrophobicContact CG1-CB 4.2Å; V976-M987 HydrophobicContact CG2-CB 4.16Å; M979-M987 HydrophobicContact CB-CG 4.14Å; M979-M987 HydrophobicContact CG-CE 4.36Å; M979-M987 HydrophobicContact CG-CG 4.42Å; M979-M987 HydrophobicContact SD-CE 3.88Å; M987-P991 HydrophobicContact CE-CB 4.46Å; M987-P991 HydrophobicContact SD-CB 3.92Å; M987-S998 VanDerWaalsContact SD-CB 3.57Å
988	K	74.1	Confident	73.1	Confident	98 Å²	98	71.5 Å²	71.5	43%	0.426	36%	0.362	S	S	.	.			trans	-58.4	142.3	177	-70.3	171.6	178.1	174.3	0	109.8	Y990 P991 S998 N1000 E1166	K988-Y990 CarbonylContact O-C 3.56Å; K988-Y990 PolarHBondContact O-N 2.72Å; K988-P991 WeakPolarHBondContact O-CD 3.47Å; K988-S998 WeakPolarHBondContact CB-OG 3.41Å; K988-S998 PolarHBondContact N-OG 3.21Å; K988-S998 VanDerWaalsContact N-OG 3.09Å; K988-S998 WeakPolarHBondContact O-CB 3.24Å; K988-N1000 WeakPolarHBondContact CB-OD1 3.45Å; K988-N1000 WeakPolarHBondContact CG-OD1 3.2Å; K988-E1166 IonicContact NZ-OE2 3.64Å; K988-E1166 PolarHBondContact NZ-OE2 2.79Å
989	K	71.3	Confident	73.1	Confident	173 Å²	173	73.1 Å²	73.1	75%	0.752	37%	0.369	S	S	*	.	B	Isolated β-bridge	trans	-48	-19	-155.6	-69.6	177.4	-180	170.6	0	118.8
990	Y	74.2	Confident	72.7	Confident	80 Å²	80	78.9 Å²	78.9	31%	0.314	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	79.3	175.8	-58.9	-87.6	0	0	0	111.9	K988 F999 N1000 A1001 A1002	K988-Y990 CarbonylContact O-C 3.56Å; K988-Y990 PolarHBondContact O-N 2.72Å; Y990-F999 WeakPolarHBondContact CA-O 3.29Å; Y990-F999 WeakPolarHBondContact CB-O 3.42Å; Y990-F999 WeakPolarHBondContact CD2-O 3.47Å; Y990-F999 PolarHBondContact N-O 3.27Å; Y990-F999 PolarHBondContact O-N 3.32Å; Y990-F999 VanDerWaalsContact O-N 3.1Å; Y990-N1000 WeakPolarHBondContact CD2-O 3.29Å; Y990-N1000 WeakPolarHBondContact CE2-O 3.35Å; Y990-A1001 VanDerWaalsContact CD2-C 3.49Å; Y990-A1002 HydrophobicContact CD1-CB 3.8Å; Y990-A1002 HydrophobicContact CE1-CB 3.6Å; Y990-A1002 HydrophobicContact CE2-CB 4.49Å; Y990-A1002 HydrophobicContact CG-CB 4.34Å
991	P	77.4	Confident	72.7	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	152.4	175	25.6	-33.1	0	0	0	113.1	W960 R972 Y975 V976 M987 K988 L1005	W960-P991 HydrophobicContact CH2-CG 3.98Å; W960-P991 WeakPolarHBondContact CH2-O 3.41Å; W960-P991 HydrophobicContact CZ3-CB 4.17Å; W960-P991 HydrophobicContact CZ3-CG 3.78Å; W960-P991 WeakPolarHBondContact CZ3-O 3.33Å; R972-P991 HydrophobicContact CG-CG 4.31Å; Y975-P991 HydrophobicContact CE1-CB 4.5Å; V976-P991 HydrophobicContact CG2-CG 4.22Å; M987-P991 HydrophobicContact CE-CB 4.46Å; M987-P991 HydrophobicContact SD-CB 3.92Å; K988-P991 WeakPolarHBondContact O-CD 3.47Å; P991-L1005 WeakPolarHBondContact O-CD2 3.28Å
992	C	79.1	Confident	72.5	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.02	36%	0.364	C	S	.	.			trans	-77.2	164.9	171	-163.4	0	0	0	0	112.4	W960 C995 L997 L1005 H1008	W960-C992 WeakPolarHBondContact CZ3-O 3.14Å; C992-C995 WeakPolarHBondContact CB-O 3.25Å; C992-L997 VanDerWaalsContact CB-O 3.23Å; C992-L997 WeakPolarHBondContact CB-O 3.15Å; C992-L997 PolarHBondContact N-O 3.15Å; C992-L1005 HydrophobicContact CB-CD1 3.88Å; C992-H1008 PolarHBondContact SG-NE2 3.25Å
993	R	71.3	Confident	72.9	Confident	87 Å²	87	68.1 Å²	68.1	33%	0.328	36%	0.364	S	S	.	.	S	Bend	trans	-112.4	5.2	177.8	-72.2	-175.4	165.6	-154.9	-12.5	113.2	P957 R958 G959 W960	P957-R993 PolarHBondContact O-NH1 2.71Å; P957-R993 VanDerWaalsContact O-NH1 3.15Å; R958-R993 VanDerWaalsContact C-NH1 3.27Å; R958-R993 VanDerWaalsContact O-CZ 3.3Å; R958-R993 PolarHBondContact O-NH1 2.88Å; R958-R993 PolarHBondContact O-NH2 2.9Å; G959-R993 PolarHBondContact O-NH1 2.82Å; G959-R993 PolarHBondContact O-NH2 3.45Å; W960-R993 HydrophobicContact CD2-CG 4.17Å; W960-R993 HydrophobicContact CE3-CG 3.49Å; W960-R993 VanDerWaalsContact CE3-CG 3.49Å; W960-R993 HydrophobicContact CH2-CG 3.89Å; W960-R993 HydrophobicContact CZ3-CG 3.33Å
994	H	69.2	Low	73	Confident	93 Å²	93	67.4 Å²	67.4	43%	0.431	36%	0.364	S	S	.	.	S	Bend	trans	-140	-2.8	-169.3	-57.1	-41.3	0	0	0	112.7	H1013	H994-H1013 HydrophobicContact CB-CB 4.17Å; H994-H1013 VanDerWaalsContact CB-CE1 3.48Å; H994-H1013 WeakPolarHBondContact CB-CE1 3.39Å; H994-H1013 VanDerWaalsContact CB-CG 3.48Å; H994-H1013 WeakPolarHBondContact CB-ND1 3.32Å; H994-H1013 AromaticContact CD2-CG 4Å; H994-H1013 PolarHBondContact O-CE1 3.03Å
995	C	74.1	Confident	73.7	Confident	48 Å²	48	65.3 Å²	65.3	32%	0.324	34%	0.338	S	S	.	.	S	Bend	trans	-161.7	175	166.2	66.9	0	0	0	0	108	C992 L997 H1008	C992-C995 WeakPolarHBondContact CB-O 3.25Å; C995-L997 VanDerWaalsContact C-N 3.31Å; C995-L997 PolarHBondContact O-N 2.87Å; C995-H1008 VanDerWaalsContact SG-CE1 3.51Å; C995-H1008 PolarHBondContact SG-NE2 3.36Å
996	E	67	Low	74.2	Confident	95 Å²	95	68.3 Å²	68.3	44%	0.444	35%	0.347	S	S	.	.	S	Bend	trans	-77.7	-8.3	-178.2	-70.8	163.1	-128	0	0	114.4	K985 S998	K985-E996 IonicContact NZ-OE2 2.74Å; K985-E996 PolarHBondContact NZ-OE2 2.96Å; E996-S998 PolarHBondContact O-N 3.37Å
997	L	73.2	Confident	74.8	Confident	100 Å²	100	71.8 Å²	71.8	52%	0.524	35%	0.348	S	S	.	.			trans	-63.3	132	-177.4	-64	176.5	0	0	0	112.4	C992 C995 F999	C992-L997 VanDerWaalsContact CB-O 3.23Å; C992-L997 WeakPolarHBondContact CB-O 3.15Å; C992-L997 PolarHBondContact N-O 3.15Å; C995-L997 VanDerWaalsContact C-N 3.31Å; C995-L997 PolarHBondContact O-N 2.87Å; L997-F999 HydrophobicContact CB-CE2 4.01Å; L997-F999 HydrophobicContact CB-CZ 3.98Å; L997-F999 HydrophobicContact CD1-CZ 4.49Å
998	S	79.4	Confident	75.2	Confident	30 Å²	30	71.4 Å²	71.4	21%	0.21	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.3	176.2	63.8	0	0	0	0	112.5	M987 K988 E996	M987-S998 VanDerWaalsContact SD-CB 3.57Å; K988-S998 WeakPolarHBondContact CB-OG 3.41Å; K988-S998 PolarHBondContact N-OG 3.21Å; K988-S998 VanDerWaalsContact N-OG 3.09Å; K988-S998 WeakPolarHBondContact O-CB 3.24Å; E996-S998 PolarHBondContact O-N 3.37Å
999	F	79.7	Confident	75.2	Confident	43 Å²	43	68.2 Å²	68.2	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.2	-168.5	-59.5	-85.1	0	0	0	111.9	Y990 L997 A1001 L1005 H1008	Y990-F999 WeakPolarHBondContact CA-O 3.29Å; Y990-F999 WeakPolarHBondContact CB-O 3.42Å; Y990-F999 WeakPolarHBondContact CD2-O 3.47Å; Y990-F999 PolarHBondContact N-O 3.27Å; Y990-F999 PolarHBondContact O-N 3.32Å; Y990-F999 VanDerWaalsContact O-N 3.1Å; L997-F999 HydrophobicContact CB-CE2 4.01Å; L997-F999 HydrophobicContact CB-CZ 3.98Å; L997-F999 HydrophobicContact CD1-CZ 4.49Å; F999-A1001 PolarHBondContact O-N 2.95Å; F999-L1005 HydrophobicContact CB-CB 4.39Å; F999-L1005 HydrophobicContact CD2-CB 3.92Å; F999-L1005 HydrophobicContact CD2-CD1 3.84Å; F999-L1005 HydrophobicContact CD2-CG 4.49Å; F999-L1005 HydrophobicContact CE2-CD1 4.03Å; F999-L1005 HydrophobicContact CG-CB 4.37Å; F999-H1008 HydrophobicContact CE1-CB 4.2Å; F999-H1008 HydrophobicContact CE2-CB 3.95Å; F999-H1008 AromaticContact CE2-CD2 3.46Å; F999-H1008 VanDerWaalsContact CE2-CD2 3.46Å; F999-H1008 WeakPolarHBondContact CE2-CD2 3.48Å; F999-H1008 AromaticContact CE2-CG 3.7Å; F999-H1008 HydrophobicContact CZ-CB 3.54Å; F999-H1008 AromaticContact CZ-CD2 3.69Å; F999-H1008 AromaticContact CZ-CG 3.42Å; F999-H1008 VanDerWaalsContact CZ-CG 3.42Å; F999-H1008 AromaticContact CZ-ND1 3.99Å
1000	N	69.8	Low	75.4	Confident	122 Å²	122	66.2 Å²	66.2	65%	0.652	32%	0.321	S	S	*	.	S	Bend	trans	-70.5	-16.5	176.4	-65.2	-3.1	0	0	0	113.2	K988 Y990	K988-N1000 WeakPolarHBondContact CB-OD1 3.45Å; K988-N1000 WeakPolarHBondContact CG-OD1 3.2Å; Y990-N1000 WeakPolarHBondContact CD2-O 3.29Å; Y990-N1000 WeakPolarHBondContact CE2-O 3.35Å
1001	A	77.7	Confident	75	Confident	36 Å²	36	63.9 Å²	63.9	30%	0.298	32%	0.316	S	S	.	.			trans	-137.7	138	-176.1	0	0	0	0	0	114.9	Y990 F999 T1003 S1004 L1005	Y990-A1001 VanDerWaalsContact CD2-C 3.49Å; F999-A1001 PolarHBondContact O-N 2.95Å; A1001-T1003 PolarHBondContact O-N 3.45Å; A1001-T1003 VanDerWaalsContact O-N 3.1Å; A1001-S1004 PolarHBondContact O-N 2.95Å; A1001-L1005 PolarHBondContact O-N 3.15Å; A1001-L1005 VanDerWaalsContact O-N 3.11Å
1002	A	71.9	Confident	74.1	Confident	31 Å²	31	68.8 Å²	68.8	26%	0.256	34%	0.339	S	S	.	.	H	α-helix	trans	-58.8	-22.2	174.6	0	0	0	0	0	114.1	Y990 R1006	Y990-A1002 HydrophobicContact CD1-CB 3.8Å; Y990-A1002 HydrophobicContact CE1-CB 3.6Å; Y990-A1002 HydrophobicContact CE2-CB 4.49Å; Y990-A1002 HydrophobicContact CG-CB 4.34Å; A1002-R1006 VanDerWaalsContact O-CB 3.3Å; A1002-R1006 WeakPolarHBondContact O-CB 3.17Å; A1002-R1006 VanDerWaalsContact O-CG 3.23Å; A1002-R1006 WeakPolarHBondContact O-CG 3.44Å; A1002-R1006 PolarHBondContact O-N 3.24Å; A1002-R1006 PolarHBondContact O-NE 3.13Å
1003	T	77.6	Confident	73.7	Confident	89 Å²	89	71.8 Å²	71.8	55%	0.546	35%	0.353	S	S	.	.	H	α-helix	trans	-71.7	-45.2	173.5	43	0	0	0	0	111.6	A1001 R1006 R1007	A1001-T1003 PolarHBondContact O-N 3.45Å; A1001-T1003 VanDerWaalsContact O-N 3.1Å; T1003-R1006 PolarHBondContact O-N 2.82Å; T1003-R1007 PolarHBondContact O-N 3.1Å
1004	S	79.1	Confident	73.4	Confident	33 Å²	33	69.5 Å²	69.5	23%	0.231	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-48.1	176	-70.8	0	0	0	0	111.7	A1001 R1006 R1007 H1008	A1001-S1004 PolarHBondContact O-N 2.95Å; S1004-R1006 VanDerWaalsContact C-N 3.32Å; S1004-R1006 PolarHBondContact O-N 2.8Å; S1004-R1007 WeakPolarHBondContact O-CA 3.46Å; S1004-R1007 WeakPolarHBondContact O-CB 3.48Å; S1004-R1007 PolarHBondContact O-N 2.7Å; S1004-H1008 PolarHBondContact O-N 2.91Å
1005	L	81.1	Confident	72.5	Confident	18 Å²	18	67.8 Å²	67.8	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-56.4	-45.7	173.7	175.3	61.9	0	0	0	111.7	P991 C992 F999 A1001 R1007 H1008 I1009	P991-L1005 WeakPolarHBondContact O-CD2 3.28Å; C992-L1005 HydrophobicContact CB-CD1 3.88Å; F999-L1005 HydrophobicContact CB-CB 4.39Å; F999-L1005 HydrophobicContact CD2-CB 3.92Å; F999-L1005 HydrophobicContact CD2-CD1 3.84Å; F999-L1005 HydrophobicContact CD2-CG 4.49Å; F999-L1005 HydrophobicContact CE2-CD1 4.03Å; F999-L1005 HydrophobicContact CG-CB 4.37Å; A1001-L1005 PolarHBondContact O-N 3.15Å; A1001-L1005 VanDerWaalsContact O-N 3.11Å; L1005-R1007 VanDerWaalsContact C-N 3.27Å; L1005-R1007 PolarHBondContact O-N 2.71Å; L1005-H1008 PolarHBondContact O-N 3.19Å; L1005-I1009 HydrophobicContact CD1-CD1 3.74Å; L1005-I1009 HydrophobicContact CD1-CG1 3.98Å; L1005-I1009 HydrophobicContact CD2-CD1 4.48Å; L1005-I1009 HydrophobicContact CG-CD1 3.85Å; L1005-I1009 HydrophobicContact CG-CG1 4.45Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.37Å; L1005-I1009 PolarHBondContact O-N 3.5Å
1006	R	77	Confident	71.5	Confident	147 Å²	147	70.3 Å²	70.3	56%	0.555	36%	0.36	S	S	*	.	H	α-helix	trans	-67.2	-22.3	175.6	-76.6	179.1	-66.4	167.2	-1.4	113.4	A1002 T1003 S1004 R1010	A1002-R1006 VanDerWaalsContact O-CB 3.3Å; A1002-R1006 WeakPolarHBondContact O-CB 3.17Å; A1002-R1006 VanDerWaalsContact O-CG 3.23Å; A1002-R1006 WeakPolarHBondContact O-CG 3.44Å; A1002-R1006 PolarHBondContact O-N 3.24Å; A1002-R1006 PolarHBondContact O-NE 3.13Å; T1003-R1006 PolarHBondContact O-N 2.82Å; S1004-R1006 VanDerWaalsContact C-N 3.32Å; S1004-R1006 PolarHBondContact O-N 2.8Å; R1006-R1010 PolarHBondContact O-NE 3.47Å; R1006-R1010 PolarHBondContact O-NH2 2.85Å
1007	R	75.3	Confident	71	Confident	155 Å²	155	72.4 Å²	72.4	59%	0.585	36%	0.364	S	S	*	.	H	α-helix	trans	-73.7	-55.6	171.5	171.9	174.3	60.2	147.9	-4.4	109.5	T1003 S1004 L1005 I1009 R1010 S1011	T1003-R1007 PolarHBondContact O-N 3.1Å; S1004-R1007 WeakPolarHBondContact O-CA 3.46Å; S1004-R1007 WeakPolarHBondContact O-CB 3.48Å; S1004-R1007 PolarHBondContact O-N 2.7Å; L1005-R1007 VanDerWaalsContact C-N 3.27Å; L1005-R1007 PolarHBondContact O-N 2.71Å; R1007-I1009 PolarHBondContact O-N 3.47Å; R1007-R1010 WeakPolarHBondContact O-CA 3.47Å; R1007-R1010 WeakPolarHBondContact O-CB 3.39Å; R1007-R1010 PolarHBondContact O-N 3.04Å; R1007-S1011 PolarHBondContact O-N 2.82Å; R1007-S1011 PolarHBondContact O-OG 3.23Å
1008	H	79.8	Confident	70.1	Confident	19 Å²	19	75.2 Å²	75.2	9%	0.088	37%	0.367	C	S	.	.	H	α-helix	trans	-54.9	-48.6	178.9	159.7	72.3	0	0	0	112.9	C992 C995 F999 S1004 L1005 R1010 S1011 E1012 H1013	C992-H1008 PolarHBondContact SG-NE2 3.25Å; C995-H1008 VanDerWaalsContact SG-CE1 3.51Å; C995-H1008 PolarHBondContact SG-NE2 3.36Å; F999-H1008 HydrophobicContact CE1-CB 4.2Å; F999-H1008 HydrophobicContact CE2-CB 3.95Å; F999-H1008 AromaticContact CE2-CD2 3.46Å; F999-H1008 VanDerWaalsContact CE2-CD2 3.46Å; F999-H1008 WeakPolarHBondContact CE2-CD2 3.48Å; F999-H1008 AromaticContact CE2-CG 3.7Å; F999-H1008 HydrophobicContact CZ-CB 3.54Å; F999-H1008 AromaticContact CZ-CD2 3.69Å; F999-H1008 AromaticContact CZ-CG 3.42Å; F999-H1008 VanDerWaalsContact CZ-CG 3.42Å; F999-H1008 AromaticContact CZ-ND1 3.99Å; S1004-H1008 PolarHBondContact O-N 2.91Å; L1005-H1008 PolarHBondContact O-N 3.19Å; H1008-R1010 PolarHBondContact O-N 3.45Å; H1008-S1011 PolarHBondContact O-N 2.83Å; H1008-S1011 VanDerWaalsContact O-N 3.1Å; H1008-S1011 PolarHBondContact O-OG 2.87Å; H1008-E1012 PolarHBondContact O-N 3.1Å; H1008-H1013 AromaticContact CE1-CD2 3.77Å; H1008-H1013 AromaticContact CE1-NE2 3.34Å; H1008-H1013 PolarHBondContact CE1-NE2 3.37Å; H1008-H1013 VanDerWaalsContact CE1-NE2 3.34Å; H1008-H1013 AromaticContact NE2-CD2 3.44Å; H1008-H1013 PolarHBondContact NE2-CD2 2.87Å; H1008-H1013 AromaticContact NE2-NE2 3.16Å; H1008-H1013 PolarHBondContact NE2-NE2 3.37Å; H1008-H1013 VanDerWaalsContact NE2-NE2 3.16Å
1009	I	73.6	Confident	69.3	Low	30 Å²	30	79 Å²	79	15%	0.154	38%	0.384	C	S	.	.	I	π-helix	trans	-56.9	-37.1	175.6	-69.1	170.9	0	0	0	111.6	L1005 R1007 H1013 D1014	L1005-I1009 HydrophobicContact CD1-CD1 3.74Å; L1005-I1009 HydrophobicContact CD1-CG1 3.98Å; L1005-I1009 HydrophobicContact CD2-CD1 4.48Å; L1005-I1009 HydrophobicContact CG-CD1 3.85Å; L1005-I1009 HydrophobicContact CG-CG1 4.45Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.37Å; L1005-I1009 PolarHBondContact O-N 3.5Å; R1007-I1009 PolarHBondContact O-N 3.47Å; I1009-H1013 PolarHBondContact O-N 3.21Å; I1009-D1014 PolarHBondContact O-N 3.06Å
1010	R	76.9	Confident	68.8	Low	132 Å²	132	80.3 Å²	80.3	50%	0.498	39%	0.388	S	S	.	.	I	π-helix	trans	-77.5	-28	178.9	-79.1	179.5	-68.3	151.6	4.2	113.8	R1006 R1007 H1008 K1016	R1006-R1010 PolarHBondContact O-NE 3.47Å; R1006-R1010 PolarHBondContact O-NH2 2.85Å; R1007-R1010 WeakPolarHBondContact O-CA 3.47Å; R1007-R1010 WeakPolarHBondContact O-CB 3.39Å; R1007-R1010 PolarHBondContact O-N 3.04Å; H1008-R1010 PolarHBondContact O-N 3.45Å; R1010-K1016 CarbonylContact O-C 3.59Å
1011	S	65.1	Low	68.8	Low	31 Å²	31	78 Å²	78	22%	0.217	38%	0.382	C	S	.	.	I	π-helix	trans	-88.6	-36.7	-177.1	62.9	0	0	0	0	112.6	R1007 H1008 R1017	R1007-S1011 PolarHBondContact O-N 2.82Å; R1007-S1011 PolarHBondContact O-OG 3.23Å; H1008-S1011 PolarHBondContact O-N 2.83Å; H1008-S1011 VanDerWaalsContact O-N 3.1Å; H1008-S1011 PolarHBondContact O-OG 2.87Å; S1011-R1017 PolarHBondContact O-NE 3.26Å; S1011-R1017 PolarHBondContact O-NH2 2.88Å; S1011-R1017 VanDerWaalsContact O-NH2 3.17Å
1012	E	59.3	Low	68.8	Low	103 Å²	103	76.8 Å²	76.8	48%	0.481	37%	0.371	S	S	.	.	I	π-helix	trans	-106.1	-34.8	-175.1	-48.9	-34	121	0	0	114.1	H1008 R1017	H1008-E1012 PolarHBondContact O-N 3.1Å; E1012-R1017 VanDerWaalsContact CD-NH2 3.33Å; E1012-R1017 IonicContact OE1-NH2 3.23Å; E1012-R1017 PolarHBondContact OE1-NH2 2.9Å; E1012-R1017 VanDerWaalsContact OE1-NH2 3.13Å; E1012-R1017 IonicContact OE2-CZ 2.65Å; E1012-R1017 IonicContact OE2-NH2 2.77Å; E1012-R1017 PolarHBondContact OE2-NH2 3.4Å
1013	H	70.6	Confident	68.6	Low	65 Å²	65	84.5 Å²	84.5	30%	0.301	39%	0.394	S	S	.	.	I	π-helix	trans	-109.4	-43.6	-168.8	-60.2	-61.5	0	0	0	115.3	H994 H1008 I1009 G1015	H994-H1013 HydrophobicContact CB-CB 4.17Å; H994-H1013 VanDerWaalsContact CB-CE1 3.48Å; H994-H1013 WeakPolarHBondContact CB-CE1 3.39Å; H994-H1013 VanDerWaalsContact CB-CG 3.48Å; H994-H1013 WeakPolarHBondContact CB-ND1 3.32Å; H994-H1013 AromaticContact CD2-CG 4Å; H994-H1013 PolarHBondContact O-CE1 3.03Å; H1008-H1013 AromaticContact CE1-CD2 3.77Å; H1008-H1013 AromaticContact CE1-NE2 3.34Å; H1008-H1013 PolarHBondContact CE1-NE2 3.37Å; H1008-H1013 VanDerWaalsContact CE1-NE2 3.34Å; H1008-H1013 AromaticContact NE2-CD2 3.44Å; H1008-H1013 PolarHBondContact NE2-CD2 2.87Å; H1008-H1013 AromaticContact NE2-NE2 3.16Å; H1008-H1013 PolarHBondContact NE2-NE2 3.37Å; H1008-H1013 VanDerWaalsContact NE2-NE2 3.16Å; I1009-H1013 PolarHBondContact O-N 3.21Å; H1013-G1015 VanDerWaalsContact C-N 3.27Å; H1013-G1015 PolarHBondContact O-N 2.82Å
1014	D	64.4	Low	68.1	Low	40 Å²	40	85.3 Å²	85.3	21%	0.214	39%	0.387	C	S	.	.	S	Bend	trans	-79.6	-8.5	178.1	-102	-39.2	0	0	0	112.1	K956 I1009 K1016	K956-D1014 IonicContact NZ-OD2 2.91Å; K956-D1014 PolarHBondContact NZ-OD2 2.83Å; I1009-D1014 PolarHBondContact O-N 3.06Å; D1014-K1016 WeakPolarHBondContact O-CG 3.47Å; D1014-K1016 PolarHBondContact O-N 3.2Å
1015	G	49.9	Very low	67.9	Low	57 Å²	57	85.2 Å²	85.2	59%	0.588	39%	0.386	S	S	*	.			trans	65.3	-9.2	-179.9	0	0	0	0	0	115.8	H1013 R1017	H1013-G1015 VanDerWaalsContact C-N 3.27Å; H1013-G1015 PolarHBondContact O-N 2.82Å; G1015-R1017 VanDerWaalsContact C-N 3.32Å; G1015-R1017 PolarHBondContact O-N 3.3Å
1016	K	54	Low	66.6	Low	101 Å²	101	91.2 Å²	91.2	44%	0.439	42%	0.424	S	S	.	.			trans	-86.9	62.3	-172.2	-73	158.9	175	-80.4	0	112	R1010 D1014 R1018 E1063	R1010-K1016 CarbonylContact O-C 3.59Å; D1014-K1016 WeakPolarHBondContact O-CG 3.47Å; D1014-K1016 PolarHBondContact O-N 3.2Å; K1016-R1018 PolarHBondContact O-N 3.29Å; K1016-E1063 IonicContact NZ-OE1 2.73Å; K1016-E1063 PolarHBondContact NZ-OE1 3.41Å; K1016-E1063 IonicContact NZ-OE2 2.89Å
1017	R	55.3	Low	65.4	Low	139 Å²	139	88.7 Å²	88.7	53%	0.525	42%	0.422	S	S	.	.			trans	-63.1	114	168.3	-67.2	-179.3	179.7	-163.3	-2.8	108.5	S1011 E1012 G1015 I1019	S1011-R1017 PolarHBondContact O-NE 3.26Å; S1011-R1017 PolarHBondContact O-NH2 2.88Å; S1011-R1017 VanDerWaalsContact O-NH2 3.17Å; E1012-R1017 VanDerWaalsContact CD-NH2 3.33Å; E1012-R1017 IonicContact OE1-NH2 3.23Å; E1012-R1017 PolarHBondContact OE1-NH2 2.9Å; E1012-R1017 VanDerWaalsContact OE1-NH2 3.13Å; E1012-R1017 IonicContact OE2-CZ 2.65Å; E1012-R1017 IonicContact OE2-NH2 2.77Å; E1012-R1017 PolarHBondContact OE2-NH2 3.4Å; G1015-R1017 VanDerWaalsContact C-N 3.32Å; G1015-R1017 PolarHBondContact O-N 3.3Å; R1017-I1019 PolarHBondContact O-N 2.83Å
1018	R	54.8	Low	64.4	Low	158 Å²	158	87 Å²	87	60%	0.596	43%	0.431	S	S	*	.			trans	-76	118.2	170.7	-84.6	-167.8	178.8	-179.3	0.1	108.3	K1016 Y1020	K1016-R1018 PolarHBondContact O-N 3.29Å; R1018-Y1020 HydrophobicContact CB-CE2 3.99Å
1019	I	62.1	Low	63.3	Low	109 Å²	109	94.5 Å²	94.5	56%	0.559	46%	0.463	S	S	*	.			trans	-98.4	125.7	-179.3	-52.6	-175.9	0	0	0	108.2	R1017 T1031	R1017-I1019 PolarHBondContact O-N 2.83Å; I1019-T1031 VanDerWaalsContact CG2-CB 3.47Å; I1019-T1031 HydrophobicContact CG2-CG2 3.73Å
1020	Y	68.4	Low	62.7	Low	71 Å²	71	94.8 Å²	94.8	28%	0.278	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	106.8	176	-59.3	-93.8	0	0	0	107.5	R1018 F1032	R1018-Y1020 HydrophobicContact CB-CE2 3.99Å; Y1020-F1032 WeakPolarHBondContact CD2-O 3.49Å; Y1020-F1032 PolarHBondContact N-O 2.85Å; Y1020-F1032 WeakPolarHBondContact O-CD2 3.36Å; Y1020-F1032 PolarHBondContact O-N 3.26Å
1021	S	70.7	Confident	62.2	Low	75 Å²	75	91.9 Å²	91.9	52%	0.524	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	146.5	174	50.9	0	0	0	0	110.8
1022	C	77.3	Confident	62.6	Low	9 Å²	9	92.2 Å²	92.2	6%	0.061	46%	0.461	C	S	.	.			trans	-74.6	142	163.9	-166.1	0	0	0	0	110.1	Y1024 C1025 T1030 L1038 H1041 H1046	C1022-Y1024 PolarHBondContact SG-N 3.24Å; C1022-C1025 HydrophobicContact CB-CB 4.11Å; C1022-T1030 PolarHBondContact N-O 3.47Å; C1022-L1038 HydrophobicContact CB-CD1 3.83Å; C1022-H1041 WeakPolarHBondContact CB-NE2 3.47Å; C1022-H1041 PolarHBondContact SG-NE2 3.27Å; C1022-H1041 VanDerWaalsContact SG-NE2 3.43Å; C1022-H1046 PolarHBondContact SG-NE2 3.13Å; C1022-H1046 VanDerWaalsContact SG-NE2 3.44Å
1023	W	67.3	Low	62.9	Low	194 Å²	194	91.5 Å²	91.5	74%	0.735	46%	0.464	S	S	*	.	S	Bend	trans	-92	-21.7	173.3	-179.2	57.5	0	0	0	112.4	M1056	W1023-M1056 HydrophobicContact CB-CE 3.51Å; W1023-M1056 HydrophobicContact CG-CE 4.29Å
1024	Y	67.6	Low	62.9	Low	105 Å²	105	90.7 Å²	90.7	41%	0.412	46%	0.463	S	S	.	.	S	Bend	trans	-85.6	-9.6	177.9	-55.6	-69.3	0	0	0	113.2	C1022 I1042 H1046 I1048	C1022-Y1024 PolarHBondContact SG-N 3.24Å; Y1024-I1042 HydrophobicContact CD2-CG1 4.4Å; Y1024-I1042 HydrophobicContact CD2-CG2 4.42Å; Y1024-I1042 HydrophobicContact CE2-CG2 4.44Å; Y1024-H1046 VanDerWaalsContact C-CE1 3.47Å; Y1024-H1046 WeakPolarHBondContact CB-NE2 3.36Å; Y1024-H1046 PolarHBondContact O-CE1 2.9Å; Y1024-I1048 HydrophobicContact CD2-CD1 4.21Å; Y1024-I1048 HydrophobicContact CE1-CD1 4.18Å; Y1024-I1048 HydrophobicContact CE2-CD1 3.75Å
1025	C	75.2	Confident	63.1	Low	31 Å²	31	90.5 Å²	90.5	21%	0.209	47%	0.465	C	S	.	.			trans	-90.1	134.1	166.6	-77.1	0	0	0	0	110.8	C1022 D1027 T1030 H1041 H1046	C1022-C1025 HydrophobicContact CB-CB 4.11Å; C1025-D1027 VanDerWaalsContact C-N 3.28Å; C1025-D1027 PolarHBondContact O-N 2.92Å; C1025-T1030 HydrophobicContact CB-CG2 4.14Å; C1025-T1030 WeakPolarHBondContact CB-OG1 3.45Å; C1025-H1041 PolarHBondContact SG-CE1 3.09Å; C1025-H1041 PolarHBondContact SG-NE2 2.89Å; C1025-H1041 VanDerWaalsContact SG-NE2 3.35Å; C1025-H1046 PolarHBondContact SG-NE2 2.81Å; C1025-H1046 VanDerWaalsContact SG-NE2 3.4Å
1026	T	54.7	Low	64.5	Low	145 Å²	145	92.3 Å²	92.3	89%	0.89	47%	0.465	S	S	*	.	S	Bend	trans	-72	-20.3	172.4	45	0	0	0	0	113.1	P1028	T1026-P1028 WeakPolarHBondContact O-CD 3.41Å
1027	D	50.7	Low	65.5	Low	94 Å²	94	92 Å²	92	50%	0.503	47%	0.466	S	S	.	.			trans	-84.2	117.6	-178.2	-95.5	-48.2	0	0	0	113.6	C1025 K1029 T1030	C1025-D1027 VanDerWaalsContact C-N 3.28Å; C1025-D1027 PolarHBondContact O-N 2.92Å; D1027-K1029 PolarHBondContact O-N 2.98Å; D1027-T1030 HydrophobicContact CB-CG2 4.04Å; D1027-T1030 PolarHBondContact O-N 3.44Å; D1027-T1030 VanDerWaalsContact O-N 3.16Å; D1027-T1030 PolarHBondContact O-OG1 3.32Å
1028	P	54.8	Low	66.7	Low	119 Å²	119	85.8 Å²	85.8	77%	0.773	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	3.4	177	30.6	-36.3	0	0	0	114	T1026	T1026-P1028 WeakPolarHBondContact O-CD 3.41Å
1029	K	56	Low	67.8	Low	177 Å²	177	82.1 Å²	82.1	77%	0.77	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-13.2	175.9	-63.8	174.2	-177.4	169.6	0	113.4	D1027 T1031	D1027-K1029 PolarHBondContact O-N 2.98Å; K1029-T1031 VanDerWaalsContact C-N 3.3Å; K1029-T1031 PolarHBondContact O-N 3.25Å; K1029-T1031 PolarHBondContact O-OG1 3.37Å
1030	T	61.5	Low	68.4	Low	35 Å²	35	81.3 Å²	81.3	22%	0.215	43%	0.428	C	S	.	.			trans	-78.3	77.7	-178	54.1	0	0	0	0	111.4	C1022 C1025 D1027	C1022-T1030 PolarHBondContact N-O 3.47Å; C1025-T1030 HydrophobicContact CB-CG2 4.14Å; C1025-T1030 WeakPolarHBondContact CB-OG1 3.45Å; D1027-T1030 HydrophobicContact CB-CG2 4.04Å; D1027-T1030 PolarHBondContact O-N 3.44Å; D1027-T1030 VanDerWaalsContact O-N 3.16Å; D1027-T1030 PolarHBondContact O-OG1 3.32Å
1031	T	66	Low	69	Low	71 Å²	71	79 Å²	79	44%	0.436	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126	-168	57.2	0	0	0	0	113.3	I1019 K1029	I1019-T1031 VanDerWaalsContact CG2-CB 3.47Å; I1019-T1031 HydrophobicContact CG2-CG2 3.73Å; K1029-T1031 VanDerWaalsContact C-N 3.3Å; K1029-T1031 PolarHBondContact O-N 3.25Å; K1029-T1031 PolarHBondContact O-OG1 3.37Å
1032	F	73.1	Confident	69.2	Low	38 Å²	38	75.5 Å²	75.5	17%	0.167	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144	-173.7	-54.2	-78.3	0	0	0	111.6	Y1020 T1034 M1037 L1038 H1041	Y1020-F1032 WeakPolarHBondContact CD2-O 3.49Å; Y1020-F1032 PolarHBondContact N-O 2.85Å; Y1020-F1032 WeakPolarHBondContact O-CD2 3.36Å; Y1020-F1032 PolarHBondContact O-N 3.26Å; F1032-T1034 VanDerWaalsContact C-N 3.34Å; F1032-M1037 HydrophobicContact CB-CB 3.97Å; F1032-M1037 HydrophobicContact CD1-CB 3.96Å; F1032-M1037 HydrophobicContact CG-CB 4.25Å; F1032-L1038 HydrophobicContact CB-CB 4.29Å; F1032-L1038 HydrophobicContact CD2-CB 4.06Å; F1032-L1038 HydrophobicContact CD2-CD1 3.77Å; F1032-L1038 HydrophobicContact CE2-CD1 4.07Å; F1032-L1038 HydrophobicContact CG-CB 4.35Å; F1032-H1041 HydrophobicContact CE1-CB 3.87Å; F1032-H1041 HydrophobicContact CE2-CB 3.93Å; F1032-H1041 AromaticContact CE2-CD2 3.36Å; F1032-H1041 WeakPolarHBondContact CE2-CD2 3.41Å; F1032-H1041 AromaticContact CE2-CG 3.53Å; F1032-H1041 AromaticContact CE2-NE2 3.83Å; F1032-H1041 HydrophobicContact CZ-CB 3.53Å; F1032-H1041 AromaticContact CZ-CD2 3.55Å; F1032-H1041 AromaticContact CZ-CE1 3.9Å; F1032-H1041 AromaticContact CZ-CG 3.21Å; F1032-H1041 AromaticContact CZ-ND1 3.47Å; F1032-H1041 WeakPolarHBondContact CZ-ND1 3.42Å; F1032-H1041 AromaticContact CZ-NE2 3.94Å
1033	T	66.4	Low	69.3	Low	89 Å²	89	77.2 Å²	77.2	55%	0.546	41%	0.407	S	S	.	.	S	Bend	trans	-83.6	-11.1	179.3	55.5	0	0	0	0	113.3
1034	T	70	Confident	69.6	Low	47 Å²	47	74.8 Å²	74.8	29%	0.288	41%	0.408	S	S	.	.	S	Bend	trans	-138	150.9	178.6	73.5	0	0	0	0	111.8	F1032 V1036 M1037 L1038	F1032-T1034 VanDerWaalsContact C-N 3.34Å; T1034-V1036 PolarHBondContact O-N 3.05Å; T1034-M1037 HydrophobicContact CG2-SD 4.4Å; T1034-M1037 PolarHBondContact O-N 3.46Å; T1034-M1037 WeakPolarHBondContact OG1-CB 3.37Å; T1034-M1037 VanDerWaalsContact OG1-CG 3.24Å; T1034-M1037 WeakPolarHBondContact OG1-CG 3.48Å; T1034-M1037 PolarHBondContact OG1-N 3.5Å; T1034-M1037 VanDerWaalsContact OG1-N 3.14Å; T1034-L1038 PolarHBondContact O-N 3.1Å
1035	S	69.2	Low	69.7	Low	37 Å²	37	76 Å²	76	26%	0.259	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-22.2	174.7	-179.2	0	0	0	0	113.2	K1039 L1053	S1035-K1039 WeakPolarHBondContact O-CG 3.31Å; S1035-K1039 PolarHBondContact O-N 3.28Å; S1035-L1053 WeakPolarHBondContact OG-CD1 3.49Å
1036	V	79.1	Confident	69.6	Low	95 Å²	95	77.4 Å²	77.4	58%	0.576	42%	0.422	S	S	*	.	H	α-helix	trans	-73	-46.8	175.9	-179	0	0	0	0	109.6	T1034 L1038 K1039 N1040	T1034-V1036 PolarHBondContact O-N 3.05Å; V1036-L1038 VanDerWaalsContact C-N 3.29Å; V1036-L1038 PolarHBondContact O-N 3.49Å; V1036-K1039 PolarHBondContact O-N 3.33Å; V1036-K1039 VanDerWaalsContact O-N 3.08Å; V1036-N1040 PolarHBondContact O-N 3.43Å; V1036-N1040 PolarHBondContact O-OD1 3.12Å; V1036-N1040 VanDerWaalsContact O-OD1 3.07Å
1037	M	76.2	Confident	70.3	Confident	95 Å²	95	73 Å²	73	47%	0.468	41%	0.406	S	S	.	.	H	α-helix	trans	-59.4	-39.2	174.3	-69.2	168.6	80.9	0	0	112.1	F1032 T1034 H1041	F1032-M1037 HydrophobicContact CB-CB 3.97Å; F1032-M1037 HydrophobicContact CD1-CB 3.96Å; F1032-M1037 HydrophobicContact CG-CB 4.25Å; T1034-M1037 HydrophobicContact CG2-SD 4.4Å; T1034-M1037 PolarHBondContact O-N 3.46Å; T1034-M1037 WeakPolarHBondContact OG1-CB 3.37Å; T1034-M1037 VanDerWaalsContact OG1-CG 3.24Å; T1034-M1037 WeakPolarHBondContact OG1-CG 3.48Å; T1034-M1037 PolarHBondContact OG1-N 3.5Å; T1034-M1037 VanDerWaalsContact OG1-N 3.14Å; M1037-H1041 VanDerWaalsContact O-CB 3.26Å; M1037-H1041 WeakPolarHBondContact O-CB 3.35Å; M1037-H1041 PolarHBondContact O-N 3.18Å
1038	L	80.3	Confident	71.3	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.042	40%	0.397	C	S	.	.	H	α-helix	trans	-63.5	-44.5	172.3	176.2	61.9	0	0	0	112.2	C1022 F1032 T1034 V1036 H1041 I1042	C1022-L1038 HydrophobicContact CB-CD1 3.83Å; F1032-L1038 HydrophobicContact CB-CB 4.29Å; F1032-L1038 HydrophobicContact CD2-CB 4.06Å; F1032-L1038 HydrophobicContact CD2-CD1 3.77Å; F1032-L1038 HydrophobicContact CE2-CD1 4.07Å; F1032-L1038 HydrophobicContact CG-CB 4.35Å; T1034-L1038 PolarHBondContact O-N 3.1Å; V1036-L1038 VanDerWaalsContact C-N 3.29Å; V1036-L1038 PolarHBondContact O-N 3.49Å; L1038-H1041 PolarHBondContact O-N 3.43Å; L1038-I1042 HydrophobicContact CD1-CD1 3.8Å; L1038-I1042 HydrophobicContact CD1-CG1 4.01Å; L1038-I1042 HydrophobicContact CD2-CD1 4.43Å; L1038-I1042 HydrophobicContact CG-CD1 3.84Å; L1038-I1042 HydrophobicContact CG-CG1 4.44Å; L1038-I1042 WeakPolarHBondContact O-CG1 3.33Å; L1038-I1042 PolarHBondContact O-N 2.88Å
1039	K	76.8	Confident	71.1	Confident	81 Å²	81	74.1 Å²	74.1	35%	0.352	40%	0.396	S	S	.	.	H	α-helix	trans	-60.8	-44.9	176.5	-83	-169.5	170.4	-159	0	112.2	S1035 V1036 I1042 S1043 P1051 L1053	S1035-K1039 WeakPolarHBondContact O-CG 3.31Å; S1035-K1039 PolarHBondContact O-N 3.28Å; V1036-K1039 PolarHBondContact O-N 3.33Å; V1036-K1039 VanDerWaalsContact O-N 3.08Å; K1039-I1042 PolarHBondContact O-N 2.93Å; K1039-S1043 WeakPolarHBondContact O-CB 3.5Å; K1039-S1043 PolarHBondContact O-N 2.77Å; K1039-P1051 HydrophobicContact CG-CG 4.42Å; K1039-L1053 HydrophobicContact CG-CD1 4.34Å
1040	N	76.1	Confident	71.2	Confident	91 Å²	91	72.5 Å²	72.5	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-64.1	-44.5	178.4	-66.7	20.6	0	0	0	110.3	V1036 I1042 S1043 L1044	V1036-N1040 PolarHBondContact O-N 3.43Å; V1036-N1040 PolarHBondContact O-OD1 3.12Å; V1036-N1040 VanDerWaalsContact O-OD1 3.07Å; N1040-I1042 PolarHBondContact O-N 3.24Å; N1040-S1043 PolarHBondContact O-N 3.33Å; N1040-L1044 VanDerWaalsContact O-CB 3.3Å; N1040-L1044 WeakPolarHBondContact O-CB 3.41Å; N1040-L1044 WeakPolarHBondContact O-CG 3.17Å; N1040-L1044 PolarHBondContact O-N 3.02Å
1041	H	79.7	Confident	71.1	Confident	23 Å²	23	71.7 Å²	71.7	11%	0.106	39%	0.391	C	S	.	.	H	α-helix	trans	-58.8	-44.5	173.3	163.7	77.2	0	0	0	112.6	C1022 C1025 F1032 M1037 L1038 S1043 L1044 M1045 H1046	C1022-H1041 WeakPolarHBondContact CB-NE2 3.47Å; C1022-H1041 PolarHBondContact SG-NE2 3.27Å; C1022-H1041 VanDerWaalsContact SG-NE2 3.43Å; C1025-H1041 PolarHBondContact SG-CE1 3.09Å; C1025-H1041 PolarHBondContact SG-NE2 2.89Å; C1025-H1041 VanDerWaalsContact SG-NE2 3.35Å; F1032-H1041 HydrophobicContact CE1-CB 3.87Å; F1032-H1041 HydrophobicContact CE2-CB 3.93Å; F1032-H1041 AromaticContact CE2-CD2 3.36Å; F1032-H1041 WeakPolarHBondContact CE2-CD2 3.41Å; F1032-H1041 AromaticContact CE2-CG 3.53Å; F1032-H1041 AromaticContact CE2-NE2 3.83Å; F1032-H1041 HydrophobicContact CZ-CB 3.53Å; F1032-H1041 AromaticContact CZ-CD2 3.55Å; F1032-H1041 AromaticContact CZ-CE1 3.9Å; F1032-H1041 AromaticContact CZ-CG 3.21Å; F1032-H1041 AromaticContact CZ-ND1 3.47Å; F1032-H1041 WeakPolarHBondContact CZ-ND1 3.42Å; F1032-H1041 AromaticContact CZ-NE2 3.94Å; M1037-H1041 VanDerWaalsContact O-CB 3.26Å; M1037-H1041 WeakPolarHBondContact O-CB 3.35Å; M1037-H1041 PolarHBondContact O-N 3.18Å; L1038-H1041 PolarHBondContact O-N 3.43Å; H1041-S1043 PolarHBondContact O-N 2.91Å; H1041-L1044 PolarHBondContact O-N 3.02Å; H1041-M1045 VanDerWaalsContact ND1-CG 3.3Å; H1041-M1045 WeakPolarHBondContact ND1-CG 3.49Å; H1041-M1045 WeakPolarHBondContact O-CB 3.39Å; H1041-M1045 PolarHBondContact O-N 2.79Å; H1041-H1046 AromaticContact NE2-NE2 3.83Å
1042	I	76.4	Confident	70.6	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-63.1	-42.3	175.9	-70	168.2	0	0	0	111.3	Y1024 L1038 K1039 N1040 L1044 H1046 G1047 I1048 P1051	Y1024-I1042 HydrophobicContact CD2-CG1 4.4Å; Y1024-I1042 HydrophobicContact CD2-CG2 4.42Å; Y1024-I1042 HydrophobicContact CE2-CG2 4.44Å; L1038-I1042 HydrophobicContact CD1-CD1 3.8Å; L1038-I1042 HydrophobicContact CD1-CG1 4.01Å; L1038-I1042 HydrophobicContact CD2-CD1 4.43Å; L1038-I1042 HydrophobicContact CG-CD1 3.84Å; L1038-I1042 HydrophobicContact CG-CG1 4.44Å; L1038-I1042 WeakPolarHBondContact O-CG1 3.33Å; L1038-I1042 PolarHBondContact O-N 2.88Å; K1039-I1042 PolarHBondContact O-N 2.93Å; N1040-I1042 PolarHBondContact O-N 3.24Å; I1042-L1044 VanDerWaalsContact C-N 3.31Å; I1042-L1044 PolarHBondContact O-N 3.36Å; I1042-H1046 CarbonylContact O-C 3.38Å; I1042-H1046 WeakPolarHBondContact O-CA 3.3Å; I1042-H1046 WeakPolarHBondContact O-CB 3.4Å; I1042-H1046 PolarHBondContact O-N 3.31Å; I1042-H1046 VanDerWaalsContact O-N 3.1Å; I1042-G1047 PolarHBondContact O-N 2.99Å; I1042-I1048 HydrophobicContact CG2-CB 3.86Å; I1042-I1048 HydrophobicContact CG2-CD1 4.43Å; I1042-P1051 HydrophobicContact CB-CG 4.36Å; I1042-P1051 HydrophobicContact CD1-CB 4.5Å; I1042-P1051 HydrophobicContact CD1-CG 4.21Å; I1042-P1051 HydrophobicContact CG2-CB 4.16Å; I1042-P1051 HydrophobicContact CG2-CG 3.88Å
1043	S	77.3	Confident	69.8	Low	44 Å²	44	73.2 Å²	73.2	31%	0.308	40%	0.398	S	S	.	.	H	α-helix	trans	-70.4	-24.4	179.3	-169	0	0	0	0	113.8	K1039 N1040 H1041 G1047	K1039-S1043 WeakPolarHBondContact O-CB 3.5Å; K1039-S1043 PolarHBondContact O-N 2.77Å; N1040-S1043 PolarHBondContact O-N 3.33Å; H1041-S1043 PolarHBondContact O-N 2.91Å; S1043-G1047 WeakPolarHBondContact O-CA 3.42Å
1044	L	74.6	Confident	69	Low	143 Å²	143	79.9 Å²	79.9	75%	0.749	41%	0.413	S	S	*	.	H	α-helix	trans	-97.7	-41.8	-177.7	-68.8	169.2	0	0	0	112.9	N1040 H1041 I1042	N1040-L1044 VanDerWaalsContact O-CB 3.3Å; N1040-L1044 WeakPolarHBondContact O-CB 3.41Å; N1040-L1044 WeakPolarHBondContact O-CG 3.17Å; N1040-L1044 PolarHBondContact O-N 3.02Å; H1041-L1044 PolarHBondContact O-N 3.02Å; I1042-L1044 VanDerWaalsContact C-N 3.31Å; I1042-L1044 PolarHBondContact O-N 3.36Å
1045	M	69.8	Low	67.8	Low	131 Å²	131	85.3 Å²	85.3	65%	0.645	44%	0.435	S	S	*	.	H	α-helix	trans	-91.5	-19.4	-177.3	-57.6	-53.9	-57.6	0	0	113.7	H1041	H1041-M1045 VanDerWaalsContact ND1-CG 3.3Å; H1041-M1045 WeakPolarHBondContact ND1-CG 3.49Å; H1041-M1045 WeakPolarHBondContact O-CB 3.39Å; H1041-M1045 PolarHBondContact O-N 2.79Å
1046	H	73.1	Confident	66.8	Low	61 Å²	61	86.6 Å²	86.6	28%	0.282	44%	0.438	S	S	.	.	S	Bend	trans	-127.8	1.5	-179.2	-51.8	-62.3	0	0	0	113.2	C1022 Y1024 C1025 H1041 I1042 I1048	C1022-H1046 PolarHBondContact SG-NE2 3.13Å; C1022-H1046 VanDerWaalsContact SG-NE2 3.44Å; Y1024-H1046 VanDerWaalsContact C-CE1 3.47Å; Y1024-H1046 WeakPolarHBondContact CB-NE2 3.36Å; Y1024-H1046 PolarHBondContact O-CE1 2.9Å; C1025-H1046 PolarHBondContact SG-NE2 2.81Å; C1025-H1046 VanDerWaalsContact SG-NE2 3.4Å; H1041-H1046 AromaticContact NE2-NE2 3.83Å; I1042-H1046 CarbonylContact O-C 3.38Å; I1042-H1046 WeakPolarHBondContact O-CA 3.3Å; I1042-H1046 WeakPolarHBondContact O-CB 3.4Å; I1042-H1046 PolarHBondContact O-N 3.31Å; I1042-H1046 VanDerWaalsContact O-N 3.1Å; H1046-I1048 HydrophobicContact CB-CG1 4.39Å; H1046-I1048 WeakPolarHBondContact O-CG1 3.33Å; H1046-I1048 PolarHBondContact O-N 3.05Å
1047	G	70.2	Confident	65	Low	52 Å²	52	87.1 Å²	87.1	54%	0.536	44%	0.443	S	S	.	.			trans	68	-6.1	177.4	0	0	0	0	0	116.3	I1042 S1043 K1049	I1042-G1047 PolarHBondContact O-N 2.99Å; S1043-G1047 WeakPolarHBondContact O-CA 3.42Å; G1047-K1049 PolarHBondContact O-N 2.89Å
1048	I	71.1	Confident	63.4	Low	61 Å²	61	93.3 Å²	93.3	31%	0.313	47%	0.468	S	S	.	.			trans	-73.6	98.9	-174.3	-52.3	174.6	0	0	0	110	Y1024 I1042 H1046 P1051	Y1024-I1048 HydrophobicContact CD2-CD1 4.21Å; Y1024-I1048 HydrophobicContact CE1-CD1 4.18Å; Y1024-I1048 HydrophobicContact CE2-CD1 3.75Å; I1042-I1048 HydrophobicContact CG2-CB 3.86Å; I1042-I1048 HydrophobicContact CG2-CD1 4.43Å; H1046-I1048 HydrophobicContact CB-CG1 4.39Å; H1046-I1048 WeakPolarHBondContact O-CG1 3.33Å; H1046-I1048 PolarHBondContact O-N 3.05Å; I1048-P1051 HydrophobicContact CG2-CB 4.34Å
1049	K	50.7	Low	61.1	Low	176 Å²	176	97.3 Å²	97.3	77%	0.765	50%	0.496	S	S	*	.	S	Bend	trans	-72.2	124.4	169.3	-63.9	178.7	-177.8	177.7	0	109	G1047	G1047-K1049 PolarHBondContact O-N 2.89Å
1050	N	57.3	Low	58.8	Low	143 Å²	143	97.8 Å²	97.8	77%	0.765	51%	0.51	S	S	*	.	S	Bend	trans	60.3	66.9	-177.5	-68.9	-51.8	0	0	0	117.1	D1052	N1050-D1052 PolarHBondContact O-N 3.42Å
1051	P	60.5	Low	56.9	Low	17 Å²	17	100.1 Å²	100.1	11%	0.11	52%	0.521	C	S	.	.			trans	-66	128.2	168.1	29.5	-35.7	0	0	0	111.7	K1039 I1042 I1048 L1053	K1039-P1051 HydrophobicContact CG-CG 4.42Å; I1042-P1051 HydrophobicContact CB-CG 4.36Å; I1042-P1051 HydrophobicContact CD1-CB 4.5Å; I1042-P1051 HydrophobicContact CD1-CG 4.21Å; I1042-P1051 HydrophobicContact CG2-CB 4.16Å; I1042-P1051 HydrophobicContact CG2-CG 3.88Å; I1048-P1051 HydrophobicContact CG2-CB 4.34Å; P1051-L1053 PolarHBondContact O-N 2.83Å; P1051-L1053 VanDerWaalsContact O-N 3.08Å
1052	D	54.1	Low	54.8	Low	81 Å²	81	106.7 Å²	106.7	43%	0.433	55%	0.549	S	S	.	.			trans	-76.9	94.3	176	-177.8	15.9	0	0	0	111.8	N1050 R1054 Q1055	N1050-D1052 PolarHBondContact O-N 3.42Å; D1052-R1054 PolarHBondContact O-N 2.57Å; D1052-R1054 VanDerWaalsContact OD1-CB 3.26Å; D1052-R1054 WeakPolarHBondContact OD1-CB 3.38Å; D1052-R1054 WeakPolarHBondContact OD1-CG 3.36Å; D1052-R1054 PolarHBondContact OD1-N 3.41Å; D1052-Q1055 PolarHBondContact O-N 3.49Å; D1052-Q1055 PolarHBondContact OD2-NE2 3.27Å
1053	L	56.1	Low	52.5	Low	61 Å²	61	111.3 Å²	111.3	32%	0.319	57%	0.571	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-3.5	178	-57.5	179.6	0	0	0	114.3	S1035 K1039 P1051 M1056	S1035-L1053 WeakPolarHBondContact OG-CD1 3.49Å; K1039-L1053 HydrophobicContact CG-CD1 4.34Å; P1051-L1053 PolarHBondContact O-N 2.83Å; P1051-L1053 VanDerWaalsContact O-N 3.08Å; L1053-M1056 HydrophobicContact CD2-SD 4.13Å
1054	R	51.3	Low	50.2	Low	229 Å²	229	117.8 Å²	117.8	86%	0.864	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-25	174.8	-64	-177.7	169.5	-148.2	-0.6	113.6	D1052	D1052-R1054 PolarHBondContact O-N 2.57Å; D1052-R1054 VanDerWaalsContact OD1-CB 3.26Å; D1052-R1054 WeakPolarHBondContact OD1-CB 3.38Å; D1052-R1054 WeakPolarHBondContact OD1-CG 3.36Å; D1052-R1054 PolarHBondContact OD1-N 3.41Å
1055	Q	45.1	Very low	47.9	Very low	160 Å²	160	119 Å²	119	75%	0.748	59%	0.593	S	S	*	*	S	Bend	trans	-90.6	-10.3	-174.6	-64.5	179.4	52.5	0	0	113.1	D1052	D1052-Q1055 PolarHBondContact O-N 3.49Å; D1052-Q1055 PolarHBondContact OD2-NE2 3.27Å
1056	M	47.7	Very low	45.9	Very low	64 Å²	64	117.7 Å²	117.7	32%	0.315	60%	0.597	S	S	.	*	S	Bend	trans	-72.8	132.9	177.4	-57.2	-164	83	0	0	111.5	W1023 L1053	W1023-M1056 HydrophobicContact CB-CE 3.51Å; W1023-M1056 HydrophobicContact CG-CE 4.29Å; L1053-M1056 HydrophobicContact CD2-SD 4.13Å
1057	P	40.8	Very low	43.7	Very low	107 Å²	107	120.9 Å²	120.9	70%	0.695	62%	0.623	S	S	*	*			trans	-57.6	148.4	175.5	-26.2	35.1	0	0	0	113.2	S1059	P1057-S1059 PolarHBondContact O-N 2.93Å
1058	K	43.1	Very low	41.7	Very low	224 Å²	224	124.6 Å²	124.6	97%	0.974	64%	0.641	S	S	*	*			trans	-78.1	48.4	175.3	-67.9	176	-178.3	165.3	0	112.4	S1060	K1058-S1060 PolarHBondContact O-N 3.22Å
1059	S	30.6	Very low	39.5	Very low	92 Å²	92	124.9 Å²	124.9	64%	0.643	66%	0.659	S	S	*	*			trans	-75.4	114.9	-177.8	47.4	0	0	0	0	112.3	P1057	P1057-S1059 PolarHBondContact O-N 2.93Å
1060	S	29.8	Very low	38.4	Very low	92 Å²	92	125.8 Å²	125.8	64%	0.643	66%	0.663	S	S	*	*			trans	51.7	80.4	160.1	61.6	0	0	0	0	118.5	K1058 K1062	K1058-S1060 PolarHBondContact O-N 3.22Å; S1060-K1062 VanDerWaalsContact C-N 3.33Å; S1060-K1062 PolarHBondContact O-N 3.29Å
1061	I	36.9	Very low	36.9	Very low	139 Å²	139	122.9 Å²	122.9	71%	0.713	67%	0.667	S	S	*	*			trans	-71.5	91.9	149.8	-57.6	176	0	0	0	107.7	E1063	I1061-E1063 PolarHBondContact O-N 3.32Å
1062	K	34	Very low	35.2	Very low	161 Å²	161	129.1 Å²	129.1	70%	0.7	70%	0.698	S	S	*	*			trans	-77.1	102.9	172.1	-77.1	-176.7	176	177.8	0	110.1	S1060 F1064	S1060-K1062 VanDerWaalsContact C-N 3.33Å; S1060-K1062 PolarHBondContact O-N 3.29Å; K1062-F1064 PolarHBondContact O-N 2.98Å
1063	E	28.7	Very low	33.8	Very low	99 Å²	99	132.7 Å²	132.7	46%	0.463	72%	0.715	S	S	.	*			trans	-69.9	94.9	165.7	-66.5	-156.9	149.7	0	0	109.8	K952 K1016 I1061 K1065	K952-E1063 IonicContact NZ-OE2 2.84Å; K952-E1063 PolarHBondContact NZ-OE2 2.9Å; K1016-E1063 IonicContact NZ-OE1 2.73Å; K1016-E1063 PolarHBondContact NZ-OE1 3.41Å; K1016-E1063 IonicContact NZ-OE2 2.89Å; I1061-E1063 PolarHBondContact O-N 3.32Å; E1063-K1065 PolarHBondContact O-N 3.29Å
1064	F	28.2	Very low	32.3	Very low	180 Å²	180	137.7 Å²	137.7	79%	0.789	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-66.5	119.5	164.1	-90.7	-88.2	0	0	0	109.7	K1062	K1062-F1064 PolarHBondContact O-N 2.98Å
1065	K	27.6	Very low	31	Very low	168 Å²	168	131 Å²	131	73%	0.73	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-89.1	121.1	159.4	-70.7	178	-177.9	170.2	0	107.9	E1063	E1063-K1065 PolarHBondContact O-N 3.29Å
1066	S	27.6	Very low	29.9	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-80.2	155.7	155.5	48.4	0	0	0	0	110.1
1067	P	25.8	Very low	28.9	Very low	128 Å²	128	131.3 Å²	131.3	83%	0.831	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-60.8	149.9	160.2	-18.5	32.4	0	0	0	110.5
1068	S	27.9	Very low	28.1	Very low	130 Å²	130	133 Å²	133	91%	0.909	77%	0.766	S	S	*	*			trans	-116.1	126.2	171.7	-179	0	0	0	0	108.3
1069	G	26.8	Very low	27.4	Very low	67 Å²	67	133.2 Å²	133.2	69%	0.691	76%	0.761	S	S	*	*			trans	161.4	62.4	179.8	0	0	0	0	0	116.1
1070	K	25.6	Very low	27.2	Very low	194 Å²	194	138.4 Å²	138.4	84%	0.843	77%	0.766	S	S	*	*			trans	174.3	111.8	144.3	-98	161.7	-173.8	-172.4	0	109.1
1071	G	26.2	Very low	27.1	Very low	83 Å²	83	138.6 Å²	138.6	86%	0.856	75%	0.753	S	S	*	*			trans	-82.2	131.3	153.6	0	0	0	0	0	107.2
1072	I	25.2	Very low	26.8	Very low	148 Å²	148	136.4 Å²	136.4	76%	0.759	74%	0.74	S	S	*	*			trans	-118.7	125.7	168.8	-69.3	177.1	0	0	0	105.6
1073	I	25.7	Very low	26.4	Very low	156 Å²	156	131.5 Å²	131.5	80%	0.8	73%	0.729	S	S	*	*			trans	-69.3	134.2	171.9	-66.3	171.9	0	0	0	107.3	A1075	I1073-A1075 PolarHBondContact O-N 2.98Å
1074	L	24	Very low	26.3	Very low	166 Å²	166	134.1 Å²	134.1	87%	0.869	75%	0.747	S	S	*	*			trans	-75.9	109	173.3	-150.9	82	0	0	0	108.7
1075	A	23.2	Very low	26.2	Very low	87 Å²	87	131.8 Å²	131.8	72%	0.719	75%	0.747	S	S	*	*			trans	-114.3	125.2	163.3	0	0	0	0	0	107.6	I1073	I1073-A1075 PolarHBondContact O-N 2.98Å
1076	S	22.8	Very low	26.8	Very low	106 Å²	106	129 Å²	129	74%	0.741	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-73.6	133.3	-172.7	-61.2	0	0	0	0	112
1077	P	26.7	Very low	26.7	Very low	126 Å²	126	129.2 Å²	129.2	82%	0.818	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-79.9	134.6	172.4	31.8	-33	0	0	0	111.4
1078	V	23.9	Very low	26.9	Very low	143 Å²	143	131.5 Å²	131.5	87%	0.867	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-86.6	141.5	166.5	178.4	0	0	0	0	109
1079	R	28.2	Very low	26.9	Very low	228 Å²	228	129.7 Å²	129.7	86%	0.86	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-67.7	147.9	177.6	-62.4	173.9	169.9	-176.9	-4.7	110.6
1080	R	27	Very low	26.9	Very low	201 Å²	201	133.2 Å²	133.2	76%	0.758	72%	0.721	S	S	*	*				171.6	162.5	84.7	-78.8	-173.2	-171.5	-167.7	3.8	106.8
1081	R	27.3	Very low	27.1	Very low	95 Å²	95	131.1 Å²	131.1	36%	0.358	72%	0.718	S	S	.	*			cis	-162.7	-177.5	-11.6	-108.1	-178.6	-176.9	171.6	-14.6	107.8	N39	N39-R1081 VanDerWaalsContact CG-NH1 3.27Å; N39-R1081 PolarHBondContact ND2-NH1 3.39Å; N39-R1081 WeakPolarHBondContact OD1-CB 3.3Å; N39-R1081 WeakPolarHBondContact OD1-CD 3.29Å
1082	Q	30.3	Very low	27.1	Very low	94 Å²	94	134.6 Å²	134.6	44%	0.439	72%	0.718	S	S	.	*			trans	-31.7	171	165.4	-54.5	157.9	-95.5	0	0	117.5	Q40	Q40-Q1082 VanDerWaalsContact CA-OE1 3.25Å
1083	A	26.3	Very low	27.3	Very low	58 Å²	58	131.9 Å²	131.9	48%	0.479	72%	0.717	S	S	.	*			cis	-156.1	162.7	23.2	0	0	0	0	0	117.7
1084	D	26.7	Very low	28	Very low	154 Å²	154	130.3 Å²	130.3	82%	0.824	72%	0.717	S	S	*	*			trans	62.8	173.6	140.1	-59.7	0.3	0	0	0	125.4
1085	T	25.4	Very low	28.1	Very low	131 Å²	131	127.9 Å²	127.9	80%	0.804	71%	0.714	S	S	*	*			trans	-137.2	-179.5	-152.2	49	0	0	0	0	112.1
1086	P	40.7	Very low	28.6	Very low	109 Å²	109	127.5 Å²	127.5	71%	0.708	71%	0.711	S	S	*	*			cis	-124.1	-131.9	9.1	27.5	0.1	0	0	0	112.3
1087	D	24.3	Very low	29.3	Very low	109 Å²	109	132.3 Å²	132.3	58%	0.583	72%	0.719	S	S	*	*			cis	-166.5	-176.3	3.3	-138.3	-12.1	0	0	0	108.4
1088	R	30	Very low	29.6	Very low	177 Å²	177	138.3 Å²	138.3	67%	0.668	73%	0.725	S	S	*	*			cis	-158.4	157.5	-3.6	178.3	145.1	-73	-71	-13.1	110
1089	S	28.5	Very low	30.3	Very low	92 Å²	92	140.1 Å²	140.1	64%	0.643	73%	0.729	S	S	*	*			trans	61.7	117.5	160.4	50.9	0	0	0	0	118.8
1090	D	26	Very low	31	Very low	141 Å²	141	137.4 Å²	137.4	75%	0.754	72%	0.723	S	S	*	*				76.8	130.5	57.3	-62.3	-46.5	0	0	0	112.3
1091	L	31.4	Very low	32.1	Very low	149 Å²	149	132.1 Å²	132.1	78%	0.78	72%	0.723	S	S	*	*			cis	-140	172.6	27.2	-77.6	171	0	0	0	115.9
1092	D	25.5	Very low	33.9	Very low	157 Å²	157	132.1 Å²	132.1	84%	0.84	73%	0.727	S	S	*	*			trans	80.8	149.4	155.4	-67.9	-35.5	0	0	0	122.3
1093	A	28.8	Very low	35.8	Very low	91 Å²	91	131.5 Å²	131.5	75%	0.752	72%	0.723	S	S	*	*			trans	-155.6	-160.9	-151.4	0	0	0	0	0	111
1094	P	40.8	Very low	38	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	73%	0.73	S	S	*	*			cis	-131.1	171.9	-17.2	40.2	-25.1	0	0	0	114.6
1095	S	26.8	Very low	40.4	Very low	115 Å²	115	129.3 Å²	129.3	80%	0.804	69%	0.691	S	S	*	*				160.4	117.1	122.1	-169.7	0	0	0	0	115.8
1096	A	33.1	Very low	42.8	Very low	79 Å²	79	126.7 Å²	126.7	65%	0.653	68%	0.678	S	S	*	*			trans	46.2	102.5	143.9	0	0	0	0	0	122
1097	K	38.3	Very low	44.2	Very low	208 Å²	208	126.8 Å²	126.8	90%	0.904	67%	0.667	S	S	*	*				172.1	101.7	103.2	-91.3	158.2	-173.5	167.9	0	114.2
1098	R	32.7	Very low	46.5	Very low	251 Å²	251	125.1 Å²	125.1	95%	0.947	66%	0.663	S	S	*	*			trans	-157.2	117.6	154.2	-120.5	175.6	176.9	177.3	-1.8	108.8
1099	L	38.6	Very low	48.5	Very low	181 Å²	181	117.7 Å²	117.7	95%	0.948	64%	0.642	S	S	*	*			trans	-80.2	117.7	173.6	-76.1	163.7	0	0	0	108.8
1100	K	43.6	Very low	50.8	Low	171 Å²	171	117.1 Å²	117.1	74%	0.743	63%	0.628	S	S	*	*			trans	-73.1	164	161.7	-76.3	-176.7	175.9	-179.3	0	109.6	Q1102	K1100-Q1102 PolarHBondContact O-N 2.84Å
1101	A	49.8	Very low	53.2	Low	91 Å²	91	113.9 Å²	113.9	75%	0.752	61%	0.613	S	S	*	*			trans	-89.2	83	-178.3	0	0	0	0	0	110.7	F1103	A1101-F1103 PolarHBondContact O-N 3.48Å
1102	Q	64.5	Low	55.3	Low	94 Å²	94	107.2 Å²	107.2	44%	0.439	58%	0.579	S	S	.	*			trans	-50.4	128.3	172.3	-140.6	84.5	42.4	0	0	111	K1100 T1111 D1113	K1100-Q1102 PolarHBondContact O-N 2.84Å; Q1102-T1111 HydrophobicContact CG-CG2 4.18Å; Q1102-D1113 PolarHBondContact NE2-OD2 3.13Å
1103	F	69.4	Low	57.7	Low	81 Å²	81	103.5 Å²	103.5	36%	0.355	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72	141.2	165.7	-64.7	-86.5	0	0	0	109	A1101 T1111 T1112 D1113 F1118	A1101-F1103 PolarHBondContact O-N 3.48Å; F1103-T1111 VanDerWaalsContact O-CA 3.26Å; F1103-T1111 WeakPolarHBondContact O-CA 3.18Å; F1103-T1112 PolarHBondContact N-O 3.48Å; F1103-T1112 PolarHBondContact O-N 3.22Å; F1103-D1113 WeakPolarHBondContact CD2-O 3.44Å; F1103-D1113 WeakPolarHBondContact CE2-O 3.45Å; F1103-F1118 HydrophobicContact CB-CB 3.98Å; F1103-F1118 HydrophobicContact CB-CD1 3.73Å; F1103-F1118 HydrophobicContact CB-CD2 3.74Å; F1103-F1118 HydrophobicContact CB-CE1 4.12Å; F1103-F1118 HydrophobicContact CB-CE2 4.18Å; F1103-F1118 HydrophobicContact CB-CG 3.52Å; F1103-F1118 HydrophobicContact CB-CZ 4.36Å; F1103-F1118 HydrophobicContact CD1-CD1 4.11Å; F1103-F1118 HydrophobicContact CD1-CE1 4.49Å; F1103-F1118 HydrophobicContact CG-CB 4.43Å; F1103-F1118 HydrophobicContact CG-CD1 4.18Å; F1103-F1118 HydrophobicContact CG-CG 4.25Å
1104	R	73.1	Confident	59.7	Low	166 Å²	166	103.9 Å²	103.9	63%	0.626	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.2	127.2	-175.4	-170	165.8	-168.6	-150.2	-1	114	S1106 G1109 F1110 T1111 F1118	R1104-S1106 PolarHBondContact O-N 3.33Å; R1104-G1109 PolarHBondContact NE-O 3.5Å; R1104-F1110 CarbonylContact C-O 3.38Å; R1104-F1110 WeakPolarHBondContact CA-O 3.32Å; R1104-T1111 HydrophobicContact CB-CG2 3.9Å; R1104-T1111 HydrophobicContact CG-CG2 3.58Å; R1104-F1118 VanDerWaalsContact C-CZ 3.41Å; R1104-F1118 WeakPolarHBondContact O-CZ 3.49Å
1105	C	77.1	Confident	61.1	Low	1 Å²	1	100.1 Å²	100.1	1%	0.007	53%	0.525	C	S	.	.			trans	-77.5	121.3	-178.7	-177.6	0	0	0	0	109.3	K1107 G1109 F1110 F1118 H1121	C1105-K1107 VanDerWaalsContact C-N 3.26Å; C1105-K1107 PolarHBondContact O-N 3.24Å; C1105-G1109 WeakPolarHBondContact O-CA 3.44Å; C1105-G1109 PolarHBondContact O-N 3.09Å; C1105-F1110 HydrophobicContact CB-CB 4.03Å; C1105-F1110 PolarHBondContact N-O 3.01Å; C1105-F1118 HydrophobicContact CB-CE2 3.92Å; C1105-F1118 HydrophobicContact CB-CZ 4.45Å; C1105-F1118 VanDerWaalsContact N-CE2 3.27Å; C1105-H1121 PolarHBondContact SG-NE2 3.42Å; C1105-H1121 VanDerWaalsContact SG-NE2 3.44Å
1106	S	76.5	Confident	63.3	Low	76 Å²	76	98.9 Å²	98.9	53%	0.531	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.3	-178.3	-61.1	0	0	0	0	113.4	R1104 C1137	R1104-S1106 PolarHBondContact O-N 3.33Å; S1106-C1137 WeakPolarHBondContact CB-O 3.23Å; S1106-C1137 PolarHBondContact N-O 3.05Å
1107	K	70.1	Confident	65.3	Low	111 Å²	111	100 Å²	100	48%	0.483	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-57.4	172.4	-75.6	-70.9	-169.3	164.8	0	112.5	C1105 H1125 G1138 L1139	C1105-K1107 VanDerWaalsContact C-N 3.26Å; C1105-K1107 PolarHBondContact O-N 3.24Å; K1107-H1125 HydrophobicContact CB-CB 4.28Å; K1107-H1125 HydrophobicContact CG-CB 4.07Å; K1107-G1138 WeakPolarHBondContact CG-O 3.32Å; K1107-L1139 HydrophobicContact CD-CD2 4.06Å; K1107-L1139 HydrophobicContact CG-CD2 4.15Å
1108	C	72.8	Confident	67.2	Low	73 Å²	73	90.1 Å²	90.1	49%	0.493	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-6.2	-175	68.3	0	0	0	0	115	H1121 H1125	C1108-H1121 PolarHBondContact SG-CE1 3.46Å; C1108-H1121 PolarHBondContact SG-NE2 2.92Å; C1108-H1125 PolarHBondContact SG-CE1 3.08Å
1109	G	72.2	Confident	69	Low	22 Å²	22	82.4 Å²	82.4	23%	0.227	44%	0.436	C	S	.	.			trans	86.9	-4.3	178.8	0	0	0	0	0	116.4	R1104 C1105	R1104-G1109 PolarHBondContact NE-O 3.5Å; C1105-G1109 WeakPolarHBondContact O-CA 3.44Å; C1105-G1109 PolarHBondContact O-N 3.09Å
1110	F	76.3	Confident	70.8	Confident	80 Å²	80	80.9 Å²	80.9	35%	0.351	42%	0.424	S	S	.	.			trans	-47.7	141	176.9	179.7	-105	0	0	0	112.6	R1104 C1105 T1112 H1121	R1104-F1110 CarbonylContact C-O 3.38Å; R1104-F1110 WeakPolarHBondContact CA-O 3.32Å; C1105-F1110 HydrophobicContact CB-CB 4.03Å; C1105-F1110 PolarHBondContact N-O 3.01Å; F1110-T1112 HydrophobicContact CD1-CG2 4.3Å; F1110-T1112 HydrophobicContact CE1-CG2 3.37Å; F1110-T1112 HydrophobicContact CE2-CG2 4.35Å; F1110-T1112 HydrophobicContact CZ-CG2 3.39Å; F1110-H1121 WeakPolarHBondContact CB-NE2 3.04Å; F1110-H1121 HydrophobicContact CD1-CB 3.8Å; F1110-H1121 AromaticContact CD1-CD2 3.36Å; F1110-H1121 WeakPolarHBondContact CD1-CD2 3.45Å; F1110-H1121 AromaticContact CD1-CG 3.34Å; F1110-H1121 AromaticContact CD1-ND1 3.83Å; F1110-H1121 AromaticContact CD1-NE2 3.85Å; F1110-H1121 HydrophobicContact CE1-CB 3.6Å; F1110-H1121 AromaticContact CE1-CG 3.66Å; F1110-H1121 AromaticContact CG-CD2 3.87Å; F1110-H1121 AromaticContact CG-CE1 3.87Å; F1110-H1121 AromaticContact CG-CG 3.92Å; F1110-H1121 AromaticContact CG-ND1 3.94Å; F1110-H1121 AromaticContact CG-NE2 3.85Å; F1110-H1121 HydrophobicContact CZ-CB 4.42Å
1111	T	75.6	Confident	72.3	Confident	73 Å²	73	73.5 Å²	73.5	45%	0.448	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	125.9	-172.5	43.8	0	0	0	0	112.6	Q1102 F1103 R1104	Q1102-T1111 HydrophobicContact CG-CG2 4.18Å; F1103-T1111 VanDerWaalsContact O-CA 3.26Å; F1103-T1111 WeakPolarHBondContact O-CA 3.18Å; R1104-T1111 HydrophobicContact CB-CG2 3.9Å; R1104-T1111 HydrophobicContact CG-CG2 3.58Å
1112	T	75.8	Confident	73.6	Confident	9 Å²	9	69.1 Å²	69.1	6%	0.055	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	153	173.4	54.5	0	0	0	0	110.3	F1103 F1110 D1114 E1117	F1103-T1112 PolarHBondContact N-O 3.48Å; F1103-T1112 PolarHBondContact O-N 3.22Å; F1110-T1112 HydrophobicContact CD1-CG2 4.3Å; F1110-T1112 HydrophobicContact CE1-CG2 3.37Å; F1110-T1112 HydrophobicContact CE2-CG2 4.35Å; F1110-T1112 HydrophobicContact CZ-CG2 3.39Å; T1112-D1114 PolarHBondContact OG1-O 3.2Å; T1112-E1117 HydrophobicContact CG2-CB 3.9Å; T1112-E1117 WeakPolarHBondContact CG2-OE2 3.45Å
1113	D	75.9	Confident	74	Confident	79 Å²	79	68.1 Å²	68.1	42%	0.422	36%	0.357	S	S	.	.	S	Bend	trans	-76.4	-30.9	166.1	-84	-78	0	0	0	110.7	Q1102 F1103	Q1102-D1113 PolarHBondContact NE2-OD2 3.13Å; F1103-D1113 WeakPolarHBondContact CD2-O 3.44Å; F1103-D1113 WeakPolarHBondContact CE2-O 3.45Å
1114	D	71.6	Confident	74	Confident	99 Å²	99	71 Å²	71	53%	0.529	37%	0.372	S	S	.	.			trans	-87.2	129.5	179.3	-82.8	-61.7	0	0	0	113.8	T1112 T1116 E1117 F1118	T1112-D1114 PolarHBondContact OG1-O 3.2Å; D1114-T1116 VanDerWaalsContact C-N 3.28Å; D1114-T1116 PolarHBondContact O-N 2.91Å; D1114-E1117 HydrophobicContact CB-CG 4.34Å; D1114-F1118 WeakPolarHBondContact O-CB 3.46Å; D1114-F1118 PolarHBondContact O-N 2.77Å
1115	S	69.3	Low	73.8	Confident	43 Å²	43	65.2 Å²	65.2	30%	0.301	35%	0.352	S	S	.	.	H	α-helix	trans	-73.1	-18.7	179.5	-173.7	0	0	0	0	113.2	Q1119	S1115-Q1119 WeakPolarHBondContact O-CB 3.34Å; S1115-Q1119 VanDerWaalsContact O-CG 3.31Å; S1115-Q1119 WeakPolarHBondContact O-CG 3.44Å; S1115-Q1119 PolarHBondContact O-N 2.98Å
1116	T	73.5	Confident	73.5	Confident	88 Å²	88	69.6 Å²	69.6	54%	0.54	37%	0.371	S	S	.	.	H	α-helix	trans	-75.7	-51.9	178.7	43.6	0	0	0	0	110.8	D1114 F1118 Q1119 Q1120	D1114-T1116 VanDerWaalsContact C-N 3.28Å; D1114-T1116 PolarHBondContact O-N 2.91Å; T1116-F1118 PolarHBondContact O-N 3.4Å; T1116-Q1119 PolarHBondContact O-N 2.99Å; T1116-Q1119 VanDerWaalsContact O-N 3.13Å; T1116-Q1120 WeakPolarHBondContact O-CG 3.3Å; T1116-Q1120 PolarHBondContact O-N 2.86Å
1117	E	74.7	Confident	72.7	Confident	102 Å²	102	71.5 Å²	71.5	48%	0.477	38%	0.379	S	S	.	.	H	α-helix	trans	-56.1	-40.5	169.9	-61.3	-169.6	142.6	0	0	111	T1112 D1114 Q1119 Q1120 H1121	T1112-E1117 HydrophobicContact CG2-CB 3.9Å; T1112-E1117 WeakPolarHBondContact CG2-OE2 3.45Å; D1114-E1117 HydrophobicContact CB-CG 4.34Å; E1117-Q1119 PolarHBondContact O-N 3.41Å; E1117-Q1120 PolarHBondContact O-N 3.1Å; E1117-H1121 WeakPolarHBondContact O-CB 3.44Å; E1117-H1121 PolarHBondContact O-N 3.1Å
1118	F	78	Confident	72.4	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.009	38%	0.381	C	S	.	.	H	α-helix	trans	-59.2	-45.7	176	-166.5	-119.1	0	0	0	112.7	F1103 R1104 C1105 D1114 T1116 H1121 I1122	F1103-F1118 HydrophobicContact CB-CB 3.98Å; F1103-F1118 HydrophobicContact CB-CD1 3.73Å; F1103-F1118 HydrophobicContact CB-CD2 3.74Å; F1103-F1118 HydrophobicContact CB-CE1 4.12Å; F1103-F1118 HydrophobicContact CB-CE2 4.18Å; F1103-F1118 HydrophobicContact CB-CG 3.52Å; F1103-F1118 HydrophobicContact CB-CZ 4.36Å; F1103-F1118 HydrophobicContact CD1-CD1 4.11Å; F1103-F1118 HydrophobicContact CD1-CE1 4.49Å; F1103-F1118 HydrophobicContact CG-CB 4.43Å; F1103-F1118 HydrophobicContact CG-CD1 4.18Å; F1103-F1118 HydrophobicContact CG-CG 4.25Å; R1104-F1118 VanDerWaalsContact C-CZ 3.41Å; R1104-F1118 WeakPolarHBondContact O-CZ 3.49Å; C1105-F1118 HydrophobicContact CB-CE2 3.92Å; C1105-F1118 HydrophobicContact CB-CZ 4.45Å; C1105-F1118 VanDerWaalsContact N-CE2 3.27Å; D1114-F1118 WeakPolarHBondContact O-CB 3.46Å; D1114-F1118 PolarHBondContact O-N 2.77Å; T1116-F1118 PolarHBondContact O-N 3.4Å; F1118-H1121 PolarHBondContact O-N 3.12Å; F1118-I1122 HydrophobicContact CD1-CD1 3.78Å; F1118-I1122 HydrophobicContact CE1-CD1 3.58Å; F1118-I1122 HydrophobicContact CE1-CG1 4.44Å; F1118-I1122 HydrophobicContact CG-CD1 4.45Å; F1118-I1122 HydrophobicContact CZ-CD1 4.05Å; F1118-I1122 HydrophobicContact CZ-CG1 4.48Å; F1118-I1122 VanDerWaalsContact O-CG1 3.27Å; F1118-I1122 WeakPolarHBondContact O-CG1 3.32Å; F1118-I1122 PolarHBondContact O-N 3.25Å; F1118-I1122 VanDerWaalsContact O-N 3.1Å
1119	Q	71.2	Confident	71.8	Confident	89 Å²	89	75.2 Å²	75.2	42%	0.416	39%	0.394	S	S	.	.	H	α-helix	trans	-73	-27.6	178.1	-76.1	176.7	-11.3	0	0	113.4	S1115 T1116 E1117 P1123	S1115-Q1119 WeakPolarHBondContact O-CB 3.34Å; S1115-Q1119 VanDerWaalsContact O-CG 3.31Å; S1115-Q1119 WeakPolarHBondContact O-CG 3.44Å; S1115-Q1119 PolarHBondContact O-N 2.98Å; T1116-Q1119 PolarHBondContact O-N 2.99Å; T1116-Q1119 VanDerWaalsContact O-N 3.13Å; E1117-Q1119 PolarHBondContact O-N 3.41Å; Q1119-P1123 WeakPolarHBondContact O-CD 3.37Å
1120	Q	75.3	Confident	71.4	Confident	148 Å²	148	78.4 Å²	78.4	69%	0.692	41%	0.406	S	S	*	.	H	α-helix	trans	-73.6	-33.1	171.3	-71	176.8	3.2	0	0	112.5	T1116 E1117	T1116-Q1120 WeakPolarHBondContact O-CG 3.3Å; T1116-Q1120 PolarHBondContact O-N 2.86Å; E1117-Q1120 PolarHBondContact O-N 3.1Å
1121	H	76.3	Confident	71.2	Confident	16 Å²	16	75.8 Å²	75.8	7%	0.074	40%	0.397	C	S	.	.	H	α-helix	trans	-71.7	-35.8	174.8	169.4	72.2	0	0	0	113	C1105 C1108 F1110 E1117 F1118 Q1124 H1125	C1105-H1121 PolarHBondContact SG-NE2 3.42Å; C1105-H1121 VanDerWaalsContact SG-NE2 3.44Å; C1108-H1121 PolarHBondContact SG-CE1 3.46Å; C1108-H1121 PolarHBondContact SG-NE2 2.92Å; F1110-H1121 WeakPolarHBondContact CB-NE2 3.04Å; F1110-H1121 HydrophobicContact CD1-CB 3.8Å; F1110-H1121 AromaticContact CD1-CD2 3.36Å; F1110-H1121 WeakPolarHBondContact CD1-CD2 3.45Å; F1110-H1121 AromaticContact CD1-CG 3.34Å; F1110-H1121 AromaticContact CD1-ND1 3.83Å; F1110-H1121 AromaticContact CD1-NE2 3.85Å; F1110-H1121 HydrophobicContact CE1-CB 3.6Å; F1110-H1121 AromaticContact CE1-CG 3.66Å; F1110-H1121 AromaticContact CG-CD2 3.87Å; F1110-H1121 AromaticContact CG-CE1 3.87Å; F1110-H1121 AromaticContact CG-CG 3.92Å; F1110-H1121 AromaticContact CG-ND1 3.94Å; F1110-H1121 AromaticContact CG-NE2 3.85Å; F1110-H1121 HydrophobicContact CZ-CB 4.42Å; E1117-H1121 WeakPolarHBondContact O-CB 3.44Å; E1117-H1121 PolarHBondContact O-N 3.1Å; F1118-H1121 PolarHBondContact O-N 3.12Å; H1121-Q1124 PolarHBondContact CE1-OE1 3.23Å; H1121-Q1124 PolarHBondContact ND1-OE1 2.83Å; H1121-Q1124 VanDerWaalsContact O-CB 3.24Å; H1121-Q1124 WeakPolarHBondContact O-CB 3.42Å; H1121-Q1124 WeakPolarHBondContact O-CG 3.05Å; H1121-Q1124 PolarHBondContact O-N 3.34Å; H1121-H1125 AromaticContact CD2-NE2 3.89Å; H1121-H1125 AromaticContact CE1-CE1 3.99Å; H1121-H1125 AromaticContact CE1-NE2 3.19Å; H1121-H1125 PolarHBondContact CE1-NE2 3.49Å; H1121-H1125 AromaticContact NE2-CD2 3.81Å; H1121-H1125 AromaticContact NE2-CE1 3.94Å; H1121-H1125 AromaticContact NE2-NE2 2.94Å; H1121-H1125 PolarHBondContact NE2-NE2 2.82Å
1122	I	76	Confident	71.2	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-52.3	-49.3	-174.9	-83.9	168.1	0	0	0	113.8	F1118 Q1124 H1125 Q1133 L1135	F1118-I1122 HydrophobicContact CD1-CD1 3.78Å; F1118-I1122 HydrophobicContact CE1-CD1 3.58Å; F1118-I1122 HydrophobicContact CE1-CG1 4.44Å; F1118-I1122 HydrophobicContact CG-CD1 4.45Å; F1118-I1122 HydrophobicContact CZ-CD1 4.05Å; F1118-I1122 HydrophobicContact CZ-CG1 4.48Å; F1118-I1122 VanDerWaalsContact O-CG1 3.27Å; F1118-I1122 WeakPolarHBondContact O-CG1 3.32Å; F1118-I1122 PolarHBondContact O-N 3.25Å; F1118-I1122 VanDerWaalsContact O-N 3.1Å; I1122-Q1124 PolarHBondContact O-N 3.31Å; I1122-H1125 PolarHBondContact O-CD2 3.21Å; I1122-H1125 PolarHBondContact O-N 2.7Å; I1122-H1125 VanDerWaalsContact O-N 3.14Å; I1122-Q1133 VanDerWaalsContact CG2-CD 3.44Å; I1122-Q1133 HydrophobicContact CG2-CG 4.04Å; I1122-Q1133 PolarHBondContact O-NE2 3.39Å; I1122-Q1133 PolarHBondContact O-OE1 3.14Å; I1122-L1135 WeakPolarHBondContact CD1-O 3.45Å; I1122-L1135 HydrophobicContact CG2-CD2 4.15Å
1123	P	73.8	Confident	71.4	Confident	72 Å²	72	74 Å²	74	47%	0.468	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-54.1	-21.9	177.2	-30.7	36.4	0	0	0	115.9	Q1119 H1125 K1126	Q1119-P1123 WeakPolarHBondContact O-CD 3.37Å; P1123-H1125 PolarHBondContact O-N 3.14Å; P1123-H1125 VanDerWaalsContact O-N 3.07Å; P1123-K1126 WeakPolarHBondContact O-CB 3.31Å; P1123-K1126 PolarHBondContact O-N 3.39Å
1124	Q	69.5	Low	71.6	Confident	143 Å²	143	70.3 Å²	70.3	67%	0.668	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-63.2	-14.1	178	-59.6	176.1	-13.9	0	0	113.6	H1121 I1122	H1121-Q1124 PolarHBondContact CE1-OE1 3.23Å; H1121-Q1124 PolarHBondContact ND1-OE1 2.83Å; H1121-Q1124 VanDerWaalsContact O-CB 3.24Å; H1121-Q1124 WeakPolarHBondContact O-CB 3.42Å; H1121-Q1124 WeakPolarHBondContact O-CG 3.05Å; H1121-Q1124 PolarHBondContact O-N 3.34Å; I1122-Q1124 PolarHBondContact O-N 3.31Å
1125	H	68.1	Low	71.7	Confident	43 Å²	43	70.2 Å²	70.2	20%	0.199	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-101.7	2.4	176.2	-52.3	-78	0	0	0	113.6	K1107 C1108 H1121 I1122 P1123 T1127 C1140	K1107-H1125 HydrophobicContact CB-CB 4.28Å; K1107-H1125 HydrophobicContact CG-CB 4.07Å; C1108-H1125 PolarHBondContact SG-CE1 3.08Å; H1121-H1125 AromaticContact CD2-NE2 3.89Å; H1121-H1125 AromaticContact CE1-CE1 3.99Å; H1121-H1125 AromaticContact CE1-NE2 3.19Å; H1121-H1125 PolarHBondContact CE1-NE2 3.49Å; H1121-H1125 AromaticContact NE2-CD2 3.81Å; H1121-H1125 AromaticContact NE2-CE1 3.94Å; H1121-H1125 AromaticContact NE2-NE2 2.94Å; H1121-H1125 PolarHBondContact NE2-NE2 2.82Å; I1122-H1125 PolarHBondContact O-CD2 3.21Å; I1122-H1125 PolarHBondContact O-N 2.7Å; I1122-H1125 VanDerWaalsContact O-N 3.14Å; P1123-H1125 PolarHBondContact O-N 3.14Å; P1123-H1125 VanDerWaalsContact O-N 3.07Å; H1125-T1127 PolarHBondContact O-N 3.1Å; H1125-C1140 PolarHBondContact O-SG 3.45Å
1126	K	70.8	Confident	71.7	Confident	93 Å²	93	73.1 Å²	73.1	40%	0.404	37%	0.372	S	S	.	.			trans	-83.2	105.3	177.7	-167	-176.3	-178.2	-168.8	0	109	P1123 D1128 E1129 T1131	P1123-K1126 WeakPolarHBondContact O-CB 3.31Å; P1123-K1126 PolarHBondContact O-N 3.39Å; K1126-D1128 VanDerWaalsContact CE-O 3.32Å; K1126-D1128 WeakPolarHBondContact CE-O 3.04Å; K1126-E1129 WeakPolarHBondContact CE-O 3.49Å; K1126-E1129 PolarHBondContact NZ-O 3.16Å; K1126-T1131 WeakPolarHBondContact CE-O 3.44Å
1127	T	59.6	Low	71.9	Confident	116 Å²	116	69.2 Å²	69.2	71%	0.712	35%	0.349	S	S	*	.			trans	-78.3	-33	-178.2	45.2	0	0	0	0	112.9	H1125	H1125-T1127 PolarHBondContact O-N 3.1Å
1128	D	63.8	Low	71.7	Confident	96 Å²	96	64.4 Å²	64.4	51%	0.513	33%	0.326	S	S	.	.	S	Bend	trans	-138.1	138.7	-171.5	-42.4	-94.6	0	0	0	109.9	K1126 N1130 T1131	K1126-D1128 VanDerWaalsContact CE-O 3.32Å; K1126-D1128 WeakPolarHBondContact CE-O 3.04Å; D1128-N1130 VanDerWaalsContact C-N 3.26Å; D1128-N1130 PolarHBondContact O-N 3.01Å; D1128-N1130 VanDerWaalsContact O-N 3.16Å; D1128-T1131 HydrophobicContact CB-CG2 4Å; D1128-T1131 PolarHBondContact O-N 3.21Å; D1128-T1131 PolarHBondContact O-OG1 3.2Å
1129	E	61.5	Low	71.7	Confident	166 Å²	166	66.6 Å²	66.6	78%	0.776	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.1	-169	-63.4	-161.8	120.5	0	0	114.4	K1126	K1126-E1129 WeakPolarHBondContact CE-O 3.49Å; K1126-E1129 PolarHBondContact NZ-O 3.16Å
1130	N	63.3	Low	72.1	Confident	90 Å²	90	63.6 Å²	63.6	48%	0.481	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.6	178.5	-70.7	7.1	0	0	0	113.9	L48 D49 D1128 P1132	L48-N1130 PolarHBondContact O-OD1 2.92Å; D49-N1130 PolarHBondContact N-ND2 2.89Å; D49-N1130 PolarHBondContact O-ND2 3.34Å; D1128-N1130 VanDerWaalsContact C-N 3.26Å; D1128-N1130 PolarHBondContact O-N 3.01Å; D1128-N1130 VanDerWaalsContact O-N 3.16Å; N1130-P1132 WeakPolarHBondContact O-CD 3.28Å
1131	T	72.5	Confident	72.2	Confident	25 Å²	25	58.7 Å²	58.7	15%	0.153	30%	0.303	C	S	.	.			trans	-82.8	113.1	177.8	55	0	0	0	0	112.6	K1126 D1128 Q1133	K1126-T1131 WeakPolarHBondContact CE-O 3.44Å; D1128-T1131 HydrophobicContact CB-CG2 4Å; D1128-T1131 PolarHBondContact O-N 3.21Å; D1128-T1131 PolarHBondContact O-OG1 3.2Å; T1131-Q1133 PolarHBondContact O-N 3Å
1132	P	75.9	Confident	72	Confident	21 Å²	21	64.3 Å²	64.3	14%	0.136	34%	0.339	C	S	.	.			trans	-70.7	127.3	177.1	25.2	-34.5	0	0	0	112	N1130 F1141 S1143 V1144 L1147	N1130-P1132 WeakPolarHBondContact O-CD 3.28Å; P1132-F1141 VanDerWaalsContact CD-O 3.25Å; P1132-F1141 WeakPolarHBondContact CD-O 2.97Å; P1132-F1141 HydrophobicContact CG-CB 4.48Å; P1132-F1141 PolarHBondContact O-N 3.34Å; P1132-S1143 VanDerWaalsContact CG-C 3.41Å; P1132-V1144 HydrophobicContact CB-CG2 4.15Å; P1132-V1144 HydrophobicContact CG-CG2 4.1Å; P1132-L1147 HydrophobicContact CB-CB 4.13Å; P1132-L1147 HydrophobicContact CB-CD2 3.77Å; P1132-L1147 HydrophobicContact CG-CB 4.43Å
1133	Q	78.7	Confident	72.2	Confident	24 Å²	24	66.7 Å²	66.7	11%	0.112	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-116.4	137.9	-172.5	-167.2	179.2	26.1	0	0	112.6	I1122 T1131 L1135 G1138 L1139 C1140	I1122-Q1133 VanDerWaalsContact CG2-CD 3.44Å; I1122-Q1133 HydrophobicContact CG2-CG 4.04Å; I1122-Q1133 PolarHBondContact O-NE2 3.39Å; I1122-Q1133 PolarHBondContact O-OE1 3.14Å; T1131-Q1133 PolarHBondContact O-N 3Å; Q1133-L1135 PolarHBondContact O-N 3.34Å; Q1133-G1138 PolarHBondContact NE2-O 3.29Å; Q1133-L1139 WeakPolarHBondContact CA-O 3.04Å; Q1133-C1140 VanDerWaalsContact CD-SG 3.58Å; Q1133-C1140 HydrophobicContact CG-CB 4.47Å; Q1133-C1140 PolarHBondContact NE2-SG 3.34Å; Q1133-C1140 VanDerWaalsContact NE2-SG 3.38Å
1134	C	80.4	Confident	72.1	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.007	36%	0.358	C	S	.	.			trans	-78.8	109.9	178.9	-176.3	0	0	0	0	112.3	H1136 C1137 G1138 L1139 F1141 L1147 H1150 L1151	C1134-H1136 PolarHBondContact O-N 3.45Å; C1134-C1137 PolarHBondContact O-N 3.2Å; C1134-C1137 VanDerWaalsContact O-N 3.12Å; C1134-C1137 VanDerWaalsContact SG-SG 3.63Å; C1134-G1138 PolarHBondContact O-N 3.46Å; C1134-L1139 PolarHBondContact N-O 3.45Å; C1134-F1141 HydrophobicContact CB-CE2 4.07Å; C1134-L1147 HydrophobicContact CB-CD1 3.58Å; C1134-H1150 PolarHBondContact SG-NE2 3.17Å; C1134-H1150 VanDerWaalsContact SG-NE2 3.44Å; C1134-L1151 VanDerWaalsContact SG-CD2 3.57Å
1135	L	72.6	Confident	72.6	Confident	97 Å²	97	66.2 Å²	66.2	51%	0.508	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-4.4	178.6	-57.4	-178	0	0	0	115.1	I1122 Q1133	I1122-L1135 WeakPolarHBondContact CD1-O 3.45Å; I1122-L1135 HydrophobicContact CG2-CD2 4.15Å; Q1133-L1135 PolarHBondContact O-N 3.34Å
1136	H	71.1	Confident	73.2	Confident	103 Å²	103	66.3 Å²	66.3	48%	0.477	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-8.2	175.5	-64.3	-54.8	0	0	0	114.3	C1134 H1155	C1134-H1136 PolarHBondContact O-N 3.45Å; H1136-H1155 WeakPolarHBondContact CB-CE1 3.37Å; H1136-H1155 WeakPolarHBondContact CB-ND1 3.46Å
1137	C	77.1	Confident	73.6	Confident	7 Å²	7	62.9 Å²	62.9	5%	0.047	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.1	-5.7	-179.1	68.5	0	0	0	0	116	S1106 C1134 L1139 H1150	S1106-C1137 WeakPolarHBondContact CB-O 3.23Å; S1106-C1137 PolarHBondContact N-O 3.05Å; C1134-C1137 PolarHBondContact O-N 3.2Å; C1134-C1137 VanDerWaalsContact O-N 3.12Å; C1134-C1137 VanDerWaalsContact SG-SG 3.63Å; C1137-L1139 VanDerWaalsContact C-N 3.31Å; C1137-L1139 PolarHBondContact O-N 3.46Å; C1137-H1150 PolarHBondContact SG-NE2 3.45Å
1138	G	71.1	Confident	74.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.333	C	S	.	.			trans	78.2	3.7	179.2	0	0	0	0	0	115.8	K1107 Q1133 C1134 C1140	K1107-G1138 WeakPolarHBondContact CG-O 3.32Å; Q1133-G1138 PolarHBondContact NE2-O 3.29Å; C1134-G1138 PolarHBondContact O-N 3.46Å; G1138-C1140 PolarHBondContact O-N 2.92Å
1139	L	77.9	Confident	74.9	Confident	49 Å²	49	64.1 Å²	64.1	26%	0.257	34%	0.341	S	S	.	.			trans	-75.1	122.5	177.7	-64.6	176	0	0	0	111.4	K1107 Q1133 C1134 C1137 F1141	K1107-L1139 HydrophobicContact CD-CD2 4.06Å; K1107-L1139 HydrophobicContact CG-CD2 4.15Å; Q1133-L1139 WeakPolarHBondContact CA-O 3.04Å; C1134-L1139 PolarHBondContact N-O 3.45Å; C1137-L1139 VanDerWaalsContact C-N 3.31Å; C1137-L1139 PolarHBondContact O-N 3.46Å; L1139-F1141 HydrophobicContact CB-CE2 3.66Å; L1139-F1141 HydrophobicContact CB-CZ 3.79Å; L1139-F1141 HydrophobicContact CD1-CZ 4.29Å; L1139-F1141 VanDerWaalsContact O-CD2 3.31Å; L1139-F1141 WeakPolarHBondContact O-CD2 2.93Å; L1139-F1141 WeakPolarHBondContact O-CE2 3.49Å
1140	C	77.9	Confident	75.7	Confident	25 Å²	25	57.4 Å²	57.4	17%	0.169	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-83	141.7	169.6	-44.5	0	0	0	0	110.2	H1125 Q1133 G1138	H1125-C1140 PolarHBondContact O-SG 3.45Å; Q1133-C1140 VanDerWaalsContact CD-SG 3.58Å; Q1133-C1140 HydrophobicContact CG-CB 4.47Å; Q1133-C1140 PolarHBondContact NE2-SG 3.34Å; Q1133-C1140 VanDerWaalsContact NE2-SG 3.38Å; G1138-C1140 PolarHBondContact O-N 2.92Å
1141	F	77.9	Confident	76.2	Confident	45 Å²	45	54.5 Å²	54.5	20%	0.197	29%	0.294	C	S	.	.			trans	-122.5	161.3	179	-65	-87.6	0	0	0	110.7	P1132 C1134 L1139 L1147 H1150	P1132-F1141 VanDerWaalsContact CD-O 3.25Å; P1132-F1141 WeakPolarHBondContact CD-O 2.97Å; P1132-F1141 HydrophobicContact CG-CB 4.48Å; P1132-F1141 PolarHBondContact O-N 3.34Å; C1134-F1141 HydrophobicContact CB-CE2 4.07Å; L1139-F1141 HydrophobicContact CB-CE2 3.66Å; L1139-F1141 HydrophobicContact CB-CZ 3.79Å; L1139-F1141 HydrophobicContact CD1-CZ 4.29Å; L1139-F1141 VanDerWaalsContact O-CD2 3.31Å; L1139-F1141 WeakPolarHBondContact O-CD2 2.93Å; L1139-F1141 WeakPolarHBondContact O-CE2 3.49Å; F1141-L1147 HydrophobicContact CB-CB 4.36Å; F1141-L1147 HydrophobicContact CD2-CB 4.13Å; F1141-L1147 HydrophobicContact CD2-CD1 3.75Å; F1141-L1147 HydrophobicContact CE2-CD1 3.94Å; F1141-L1147 HydrophobicContact CG-CB 4.38Å; F1141-H1150 HydrophobicContact CE1-CB 3.8Å; F1141-H1150 AromaticContact CE1-CG 3.94Å; F1141-H1150 HydrophobicContact CE2-CB 4.08Å; F1141-H1150 AromaticContact CE2-CD2 3.58Å; F1141-H1150 AromaticContact CE2-CG 3.72Å; F1141-H1150 HydrophobicContact CZ-CB 3.55Å; F1141-H1150 AromaticContact CZ-CD2 3.54Å; F1141-H1150 AromaticContact CZ-CE1 3.91Å; F1141-H1150 AromaticContact CZ-CG 3.22Å; F1141-H1150 AromaticContact CZ-ND1 3.48Å; F1141-H1150 WeakPolarHBondContact CZ-ND1 3.38Å; F1141-H1150 AromaticContact CZ-NE2 3.96Å
1142	T	73.4	Confident	76.3	Confident	135 Å²	135	58.9 Å²	58.9	83%	0.828	31%	0.311	S	S	*	.	S	Bend	trans	-86.6	-8.6	-178.7	49.9	0	0	0	0	114.3
1143	S	78.6	Confident	76.1	Confident	49 Å²	49	63 Å²	63	34%	0.343	33%	0.33	S	S	.	.	S	Bend	trans	-158.5	154.5	174.6	69.1	0	0	0	0	112.2	P1132 V1145 S1146 L1147	P1132-S1143 VanDerWaalsContact CG-C 3.41Å; S1143-V1145 VanDerWaalsContact C-N 3.31Å; S1143-V1145 PolarHBondContact O-N 2.95Å; S1143-S1146 WeakPolarHBondContact O-CA 3.37Å; S1143-S1146 VanDerWaalsContact O-CB 3.3Å; S1143-S1146 WeakPolarHBondContact O-CB 3.46Å; S1143-S1146 PolarHBondContact O-N 3Å; S1143-S1146 PolarHBondContact OG-N 2.78Å; S1143-S1146 PolarHBondContact OG-OG 3.27Å; S1143-L1147 PolarHBondContact O-N 2.72Å
1144	V	72.5	Confident	75.9	Confident	88 Å²	88	65.9 Å²	65.9	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-64.1	-38.1	-177.3	-178.3	0	0	0	0	110.9	P1132 S1146 L1147 N1148	P1132-V1144 HydrophobicContact CB-CG2 4.15Å; P1132-V1144 HydrophobicContact CG-CG2 4.1Å; V1144-S1146 PolarHBondContact O-N 3.42Å; V1144-L1147 CarbonylContact O-C 3.56Å; V1144-L1147 PolarHBondContact O-N 3.31Å; V1144-L1147 VanDerWaalsContact O-N 3.1Å; V1144-N1148 PolarHBondContact O-N 3.07Å; V1144-N1148 PolarHBondContact O-OD1 3.15Å
1145	V	79.8	Confident	75.4	Confident	117 Å²	117	68.7 Å²	68.7	71%	0.709	36%	0.362	S	S	*	.	H	α-helix	trans	-58.9	-35.8	172.8	-175.3	0	0	0	0	111.6	S1143 R1149	S1143-V1145 VanDerWaalsContact C-N 3.31Å; S1143-V1145 PolarHBondContact O-N 2.95Å; V1145-R1149 VanDerWaalsContact O-CB 3.23Å; V1145-R1149 WeakPolarHBondContact O-CB 3.26Å; V1145-R1149 PolarHBondContact O-N 3.16Å
1146	S	80.2	Confident	75.3	Confident	46 Å²	46	72.5 Å²	72.5	32%	0.322	38%	0.375	S	S	.	.	H	α-helix	trans	-70.7	-39.9	175.2	-57.8	0	0	0	0	112.1	S1143 V1144 H1150	S1143-S1146 WeakPolarHBondContact O-CA 3.37Å; S1143-S1146 VanDerWaalsContact O-CB 3.3Å; S1143-S1146 WeakPolarHBondContact O-CB 3.46Å; S1143-S1146 PolarHBondContact O-N 3Å; S1143-S1146 PolarHBondContact OG-N 2.78Å; S1143-S1146 PolarHBondContact OG-OG 3.27Å; V1144-S1146 PolarHBondContact O-N 3.42Å; S1146-H1150 WeakPolarHBondContact O-CB 3.45Å; S1146-H1150 PolarHBondContact O-N 2.91Å
1147	L	80.7	Confident	74.9	Confident	20 Å²	20	70.5 Å²	70.5	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-48.4	172	173.7	60.6	0	0	0	111.1	P1132 C1134 F1141 S1143 V1144 R1149 H1150 L1151	P1132-L1147 HydrophobicContact CB-CB 4.13Å; P1132-L1147 HydrophobicContact CB-CD2 3.77Å; P1132-L1147 HydrophobicContact CG-CB 4.43Å; C1134-L1147 HydrophobicContact CB-CD1 3.58Å; F1141-L1147 HydrophobicContact CB-CB 4.36Å; F1141-L1147 HydrophobicContact CD2-CB 4.13Å; F1141-L1147 HydrophobicContact CD2-CD1 3.75Å; F1141-L1147 HydrophobicContact CE2-CD1 3.94Å; F1141-L1147 HydrophobicContact CG-CB 4.38Å; S1143-L1147 PolarHBondContact O-N 2.72Å; V1144-L1147 CarbonylContact O-C 3.56Å; V1144-L1147 PolarHBondContact O-N 3.31Å; V1144-L1147 VanDerWaalsContact O-N 3.1Å; L1147-R1149 VanDerWaalsContact C-N 3.32Å; L1147-R1149 PolarHBondContact O-N 3.31Å; L1147-H1150 CarbonylContact O-C 3.6Å; L1147-H1150 WeakPolarHBondContact O-CA 3.44Å; L1147-H1150 WeakPolarHBondContact O-CB 3.35Å; L1147-H1150 PolarHBondContact O-N 3.06Å; L1147-L1151 HydrophobicContact CD1-CD1 4.06Å; L1147-L1151 HydrophobicContact CD1-CD2 4.46Å; L1147-L1151 HydrophobicContact CD1-CG 3.9Å; L1147-L1151 HydrophobicContact CD2-CD1 4.4Å; L1147-L1151 HydrophobicContact CG-CD1 3.87Å; L1147-L1151 HydrophobicContact CG-CG 4.19Å; L1147-L1151 WeakPolarHBondContact O-CG 3.38Å; L1147-L1151 PolarHBondContact O-N 3.22Å
1148	N	72.9	Confident	73.7	Confident	59 Å²	59	77.3 Å²	77.3	32%	0.316	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-37.5	-178.2	-68	12.4	0	0	0	111.1	V1144 H1150 L1151 F1152 D1159	V1144-N1148 PolarHBondContact O-N 3.07Å; V1144-N1148 PolarHBondContact O-OD1 3.15Å; N1148-H1150 VanDerWaalsContact C-N 3.35Å; N1148-H1150 PolarHBondContact O-N 3.31Å; N1148-L1151 PolarHBondContact O-N 3.3Å; N1148-F1152 WeakPolarHBondContact O-CB 3.42Å; N1148-F1152 PolarHBondContact O-N 3.15Å; N1148-D1159 PolarHBondContact ND2-OD2 3.02Å
1149	R	76.6	Confident	72.4	Confident	180 Å²	180	81.5 Å²	81.5	68%	0.679	42%	0.421	S	S	*	.	H	α-helix	trans	-62.5	-39	169.9	-178.3	174.2	175.9	-172.6	-2.6	112.5	V1145 L1147 I1153	V1145-R1149 VanDerWaalsContact O-CB 3.23Å; V1145-R1149 WeakPolarHBondContact O-CB 3.26Å; V1145-R1149 PolarHBondContact O-N 3.16Å; L1147-R1149 VanDerWaalsContact C-N 3.32Å; L1147-R1149 PolarHBondContact O-N 3.31Å; R1149-I1153 HydrophobicContact CG-CD1 3.72Å; R1149-I1153 WeakPolarHBondContact O-CB 3.04Å; R1149-I1153 VanDerWaalsContact O-CG1 3.23Å; R1149-I1153 WeakPolarHBondContact O-CG1 3.47Å; R1149-I1153 PolarHBondContact O-N 3.02Å
1150	H	79.1	Confident	70.8	Confident	24 Å²	24	84 Å²	84	11%	0.111	44%	0.44	C	S	.	.	H	α-helix	trans	-67.3	-45.4	173.5	165.8	81.6	0	0	0	111.9	C1134 C1137 F1141 S1146 L1147 N1148 F1152 I1153 V1154 H1155	C1134-H1150 PolarHBondContact SG-NE2 3.17Å; C1134-H1150 VanDerWaalsContact SG-NE2 3.44Å; C1137-H1150 PolarHBondContact SG-NE2 3.45Å; F1141-H1150 HydrophobicContact CE1-CB 3.8Å; F1141-H1150 AromaticContact CE1-CG 3.94Å; F1141-H1150 HydrophobicContact CE2-CB 4.08Å; F1141-H1150 AromaticContact CE2-CD2 3.58Å; F1141-H1150 AromaticContact CE2-CG 3.72Å; F1141-H1150 HydrophobicContact CZ-CB 3.55Å; F1141-H1150 AromaticContact CZ-CD2 3.54Å; F1141-H1150 AromaticContact CZ-CE1 3.91Å; F1141-H1150 AromaticContact CZ-CG 3.22Å; F1141-H1150 AromaticContact CZ-ND1 3.48Å; F1141-H1150 WeakPolarHBondContact CZ-ND1 3.38Å; F1141-H1150 AromaticContact CZ-NE2 3.96Å; S1146-H1150 WeakPolarHBondContact O-CB 3.45Å; S1146-H1150 PolarHBondContact O-N 2.91Å; L1147-H1150 CarbonylContact O-C 3.6Å; L1147-H1150 WeakPolarHBondContact O-CA 3.44Å; L1147-H1150 WeakPolarHBondContact O-CB 3.35Å; L1147-H1150 PolarHBondContact O-N 3.06Å; N1148-H1150 VanDerWaalsContact C-N 3.35Å; N1148-H1150 PolarHBondContact O-N 3.31Å; H1150-F1152 VanDerWaalsContact C-N 3.31Å; H1150-F1152 PolarHBondContact O-N 3.26Å; H1150-I1153 PolarHBondContact O-N 3.08Å; H1150-V1154 WeakPolarHBondContact ND1-CG2 3.48Å; H1150-V1154 WeakPolarHBondContact O-CB 3.24Å; H1150-V1154 PolarHBondContact O-N 2.97Å; H1150-H1155 AromaticContact NE2-CD2 3.49Å; H1150-H1155 PolarHBondContact NE2-CD2 3.4Å; H1150-H1155 AromaticContact NE2-NE2 3.47Å; H1150-H1155 PolarHBondContact NE2-NE2 3.01Å
1151	L	73.8	Confident	68.9	Low	30 Å²	30	92 Å²	92	16%	0.157	47%	0.472	C	S	.	.	I	π-helix	trans	-58.6	-41.2	175.5	-73.2	172.3	0	0	0	111.2	C1134 L1147 N1148 H1155 K1156 V1157	C1134-L1151 VanDerWaalsContact SG-CD2 3.57Å; L1147-L1151 HydrophobicContact CD1-CD1 4.06Å; L1147-L1151 HydrophobicContact CD1-CD2 4.46Å; L1147-L1151 HydrophobicContact CD1-CG 3.9Å; L1147-L1151 HydrophobicContact CD2-CD1 4.4Å; L1147-L1151 HydrophobicContact CG-CD1 3.87Å; L1147-L1151 HydrophobicContact CG-CG 4.19Å; L1147-L1151 WeakPolarHBondContact O-CG 3.38Å; L1147-L1151 PolarHBondContact O-N 3.22Å; N1148-L1151 PolarHBondContact O-N 3.3Å; L1151-H1155 HydrophobicContact CD2-CB 4.45Å; L1151-H1155 CarbonylContact O-C 3.58Å; L1151-H1155 WeakPolarHBondContact O-CA 3.45Å; L1151-H1155 WeakPolarHBondContact O-CB 3.4Å; L1151-H1155 PolarHBondContact O-N 3.4Å; L1151-H1155 VanDerWaalsContact O-N 3.08Å; L1151-K1156 WeakPolarHBondContact O-CA 3.46Å; L1151-K1156 PolarHBondContact O-N 3.13Å; L1151-V1157 HydrophobicContact CB-CB 4.33Å; L1151-V1157 PolarHBondContact O-N 2.88Å; L1151-V1157 VanDerWaalsContact O-N 3.12Å
1152	F	74.2	Confident	67.2	Low	117 Å²	117	98.8 Å²	98.8	51%	0.513	50%	0.504	S	S	.	.	I	π-helix	trans	-71	-39.7	176.2	-175.2	-100.6	0	0	0	113.7	N1148 H1150 K1156 V1157 K1158	N1148-F1152 WeakPolarHBondContact O-CB 3.42Å; N1148-F1152 PolarHBondContact O-N 3.15Å; H1150-F1152 VanDerWaalsContact C-N 3.31Å; H1150-F1152 PolarHBondContact O-N 3.26Å; F1152-K1156 WeakPolarHBondContact O-CA 3.46Å; F1152-V1157 WeakPolarHBondContact CA-O 3.26Å; F1152-V1157 WeakPolarHBondContact CB-O 3.46Å; F1152-V1157 WeakPolarHBondContact CD2-O 3.47Å; F1152-V1157 PolarHBondContact N-O 3.32Å; F1152-K1158 HydrophobicContact CD2-CB 3.9Å; F1152-K1158 HydrophobicContact CD2-CG 4.05Å; F1152-K1158 HydrophobicContact CE2-CB 4.01Å; F1152-K1158 HydrophobicContact CE2-CD 4.49Å; F1152-K1158 HydrophobicContact CE2-CG 3.94Å
1153	I	72.8	Confident	65.5	Low	107 Å²	107	98.8 Å²	98.8	55%	0.549	50%	0.499	S	S	.	.	I	π-helix	trans	-80.2	-43.1	-176.5	-69	173.2	0	0	0	112.3	R1149 H1150	R1149-I1153 HydrophobicContact CG-CD1 3.72Å; R1149-I1153 WeakPolarHBondContact O-CB 3.04Å; R1149-I1153 VanDerWaalsContact O-CG1 3.23Å; R1149-I1153 WeakPolarHBondContact O-CG1 3.47Å; R1149-I1153 PolarHBondContact O-N 3.02Å; H1150-I1153 PolarHBondContact O-N 3.08Å
1154	V	74.4	Confident	63.6	Low	84 Å²	84	105 Å²	105	51%	0.509	52%	0.523	S	S	.	.	I	π-helix	trans	-95.4	-45.4	-172.1	-176.7	0	0	0	0	111.4	H1150	H1150-V1154 WeakPolarHBondContact ND1-CG2 3.48Å; H1150-V1154 WeakPolarHBondContact O-CB 3.24Å; H1150-V1154 PolarHBondContact O-N 2.97Å
1155	H	69	Low	62.3	Low	61 Å²	61	109.5 Å²	109.5	28%	0.282	54%	0.538	S	S	.	.	I	π-helix	trans	-103	-9.8	-174.8	-62.1	-75.9	0	0	0	114.2	H1136 H1150 L1151 V1157	H1136-H1155 WeakPolarHBondContact CB-CE1 3.37Å; H1136-H1155 WeakPolarHBondContact CB-ND1 3.46Å; H1150-H1155 AromaticContact NE2-CD2 3.49Å; H1150-H1155 PolarHBondContact NE2-CD2 3.4Å; H1150-H1155 AromaticContact NE2-NE2 3.47Å; H1150-H1155 PolarHBondContact NE2-NE2 3.01Å; L1151-H1155 HydrophobicContact CD2-CB 4.45Å; L1151-H1155 CarbonylContact O-C 3.58Å; L1151-H1155 WeakPolarHBondContact O-CA 3.45Å; L1151-H1155 WeakPolarHBondContact O-CB 3.4Å; L1151-H1155 PolarHBondContact O-N 3.4Å; L1151-H1155 VanDerWaalsContact O-N 3.08Å; H1155-V1157 VanDerWaalsContact C-N 3.32Å; H1155-V1157 HydrophobicContact CB-CG2 4.43Å; H1155-V1157 PolarHBondContact O-N 3.11Å
1156	K	70.4	Confident	60.3	Low	176 Å²	176	111.1 Å²	111.1	77%	0.765	54%	0.538	S	S	*	.			trans	59.9	29.1	180	-58.3	176.7	-175.9	167.4	0	116	L1151 F1152	L1151-K1156 WeakPolarHBondContact O-CA 3.46Å; L1151-K1156 PolarHBondContact O-N 3.13Å; F1152-K1156 WeakPolarHBondContact O-CA 3.46Å
1157	V	63.1	Low	58.3	Low	62 Å²	62	115 Å²	115	38%	0.376	56%	0.555	S	S	.	*			trans	-80.2	139.6	168.2	-171.6	0	0	0	0	109	L1151 F1152 H1155	L1151-V1157 HydrophobicContact CB-CB 4.33Å; L1151-V1157 PolarHBondContact O-N 2.88Å; L1151-V1157 VanDerWaalsContact O-N 3.12Å; F1152-V1157 WeakPolarHBondContact CA-O 3.26Å; F1152-V1157 WeakPolarHBondContact CB-O 3.46Å; F1152-V1157 WeakPolarHBondContact CD2-O 3.47Å; F1152-V1157 PolarHBondContact N-O 3.32Å; H1155-V1157 VanDerWaalsContact C-N 3.32Å; H1155-V1157 HydrophobicContact CB-CG2 4.43Å; H1155-V1157 PolarHBondContact O-N 3.11Å
1158	K	51.8	Low	56.3	Low	150 Å²	150	122.2 Å²	122.2	65%	0.652	59%	0.586	S	S	*	*			trans	-133.4	127.9	177.2	-170.8	-153.5	175.8	-90.8	0	109.8	F1152	F1152-K1158 HydrophobicContact CD2-CB 3.9Å; F1152-K1158 HydrophobicContact CD2-CG 4.05Å; F1152-K1158 HydrophobicContact CE2-CB 4.01Å; F1152-K1158 HydrophobicContact CE2-CD 4.49Å; F1152-K1158 HydrophobicContact CE2-CG 3.94Å
1159	D	43.9	Very low	54.7	Low	87 Å²	87	127.7 Å²	127.7	47%	0.465	61%	0.609	S	S	.	*			trans	-81.1	156.8	176.8	-58.9	-58.3	0	0	0	112.9	N1148	N1148-D1159 PolarHBondContact ND2-OD2 3.02Å
1160	P	43.3	Very low	53	Low	102 Å²	102	126.4 Å²	126.4	66%	0.662	61%	0.611	S	S	*	*			trans	-120	61.3	-178.1	41.9	-28.4	0	0	0	112.8
1161	K	39.3	Very low	51.1	Low	193 Å²	193	132.5 Å²	132.5	84%	0.839	64%	0.639	S	S	*	*			trans	-148.3	75.3	178.6	-73.2	-161.1	169.5	-153	0	113
1162	E	40.5	Very low	49.6	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	67%	0.67	S	S	*	*	S	Bend	trans	-140.9	14.6	167.1	-66.8	-176	150.3	0	0	111.9
1163	D	38.5	Very low	48	Very low	135 Å²	135	141.3 Å²	141.3	72%	0.722	68%	0.682	S	S	*	*			trans	-111.8	7.5	-162.2	-55.4	-75.7	0	0	0	115.4
1164	E	39.7	Very low	46.6	Very low	179 Å²	179	141.8 Å²	141.8	84%	0.836	68%	0.682	S	S	*	*	S	Bend	trans	-112.4	14.4	-173.5	-70.2	-177	-178.1	0	0	115
1165	E	43.3	Very low	45	Very low	182 Å²	182	145 Å²	145	85%	0.85	69%	0.691	S	S	*	*	S	Bend	trans	-116.7	-6.3	-177.5	-65.4	-88.1	140.2	0	0	114.6
1166	E	38.3	Very low	43.6	Very low	151 Å²	151	150.8 Å²	150.8	71%	0.706	72%	0.718	S	S	*	*	S	Bend	trans	-84.3	-19.6	173.6	-74.6	-164.3	166.8	0	0	113	K988 K1168	K988-E1166 IonicContact NZ-OE2 3.64Å; K988-E1166 PolarHBondContact NZ-OE2 2.79Å; E1166-K1168 VanDerWaalsContact C-N 3.35Å; E1166-K1168 PolarHBondContact O-N 3.07Å
1167	D	38.1	Very low	42.3	Very low	127 Å²	127	150.4 Å²	150.4	68%	0.679	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	3.6	-166.1	-73.4	-13.8	0	0	0	115.9
1168	K	38.4	Very low	41.3	Very low	173 Å²	173	155.6 Å²	155.6	75%	0.752	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-12.9	-176.1	-82.1	-179.5	179.5	167.9	0	116.2	E1166	E1166-K1168 VanDerWaalsContact C-N 3.35Å; E1166-K1168 PolarHBondContact O-N 3.07Å
1169	E	39.8	Very low	40.7	Very low	174 Å²	174	155.8 Å²	155.8	81%	0.813	74%	0.742	S	S	*	*	S	Bend	trans	-91.8	-13.9	178.4	-64.9	-174	160.1	0	0	112.8
1170	E	42	Very low	40.5	Very low	152 Å²	152	158.7 Å²	158.7	71%	0.71	76%	0.763	S	S	*	*	S	Bend	trans	-90.2	-11.3	179.9	-65.2	-163.1	169.2	0	0	114.3
1171	E	38.9	Very low	40	Very low	152 Å²	152	157.6 Å²	157.6	71%	0.71	77%	0.77	S	S	*	*	S	Bend	trans	-81.3	-31.5	179.3	-69	-162.3	133.3	0	0	113.9	E1174	E1171-E1174 PolarHBondContact O-N 3.03Å
1172	E	41	Very low	39.6	Very low	170 Å²	170	160 Å²	160	79%	0.794	77%	0.774	S	S	*	*	H	α-helix	trans	-74.1	-32.2	-178.2	-65.8	-170.1	160.7	0	0	113.1	E1174	E1172-E1174 VanDerWaalsContact C-N 3.3Å; E1172-E1174 PolarHBondContact O-N 3.02Å
1173	E	42	Very low	39.2	Very low	163 Å²	163	156 Å²	156	76%	0.762	77%	0.767	S	S	*	*	H	α-helix	trans	-73.1	-17.2	176.1	-70.7	-162.5	162.1	0	0	113.6
1174	E	41.9	Very low	38.8	Very low	117 Å²	117	157 Å²	157	55%	0.547	78%	0.777	S	S	.	*	H	α-helix	trans	-89.2	-15.6	-176.9	-89.4	-126.1	178.2	0	0	114.8	E1171 E1172 R1178	E1171-E1174 PolarHBondContact O-N 3.03Å; E1172-E1174 VanDerWaalsContact C-N 3.3Å; E1172-E1174 PolarHBondContact O-N 3.02Å; E1174-R1178 VanDerWaalsContact O-CD 3.29Å; E1174-R1178 WeakPolarHBondContact O-CD 3.38Å; E1174-R1178 WeakPolarHBondContact O-CG 3.33Å; E1174-R1178 PolarHBondContact O-NE 2.96Å; E1174-R1178 IonicContact OE2-CZ 2.65Å; E1174-R1178 IonicContact OE2-NH2 2.87Å; E1174-R1178 PolarHBondContact OE2-NH2 3.11Å
1175	E	42.2	Very low	38.3	Very low	152 Å²	152	152 Å²	152	71%	0.71	77%	0.773	S	S	*	*	H	α-helix	trans	-81.4	-43	173.2	-74.2	-148.6	124.8	0	0	113	M1177 R1178	E1175-M1177 PolarHBondContact O-N 3.06Å; E1175-R1178 PolarHBondContact O-N 3.26Å
1176	E	39.8	Very low	37.5	Very low	182 Å²	182	149.2 Å²	149.2	85%	0.85	77%	0.774	S	S	*	*	H	α-helix	trans	-63.7	-27.2	-175.2	-160.2	-179	-138.9	0	0	112.7	R1178	E1176-R1178 VanDerWaalsContact C-N 3.28Å; E1176-R1178 PolarHBondContact O-N 3.28Å
1177	M	43	Very low	37.1	Very low	168 Å²	168	146 Å²	146	83%	0.828	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	7.1	-179.3	-148.2	178.4	-61.5	0	0	114.6	E1175	E1175-M1177 PolarHBondContact O-N 3.06Å
1178	R	41	Very low	36.7	Very low	170 Å²	170	146.3 Å²	146.3	64%	0.642	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-6.9	-173.7	-66.3	178.4	-172.9	173.7	4.3	116	E1174 E1175 E1176	E1174-R1178 VanDerWaalsContact O-CD 3.29Å; E1174-R1178 WeakPolarHBondContact O-CD 3.38Å; E1174-R1178 WeakPolarHBondContact O-CG 3.33Å; E1174-R1178 PolarHBondContact O-NE 2.96Å; E1174-R1178 IonicContact OE2-CZ 2.65Å; E1174-R1178 IonicContact OE2-NH2 2.87Å; E1174-R1178 PolarHBondContact OE2-NH2 3.11Å; E1175-R1178 PolarHBondContact O-N 3.26Å; E1176-R1178 VanDerWaalsContact C-N 3.28Å; E1176-R1178 PolarHBondContact O-N 3.28Å
1179	D	40.7	Very low	36.3	Very low	155 Å²	155	144.3 Å²	144.3	83%	0.829	78%	0.782	S	S	*	*	S	Bend	trans	-119.3	43.9	-177.7	-160.5	27.4	0	0	0	115.7
1180	V	39.4	Very low	35.8	Very low	148 Å²	148	140.3 Å²	140.3	90%	0.897	78%	0.779	S	S	*	*	S	Bend	trans	-136.4	115.5	162.5	-174	0	0	0	0	111
1181	G	32.3	Very low	35.2	Very low	79 Å²	79	141.7 Å²	141.7	81%	0.814	79%	0.785	S	S	*	*			trans	125	34.5	157.1	0	0	0	0	0	118.9
1182	R	31.6	Very low	34.8	Very low	242 Å²	242	139.7 Å²	139.7	91%	0.913	78%	0.783	S	S	*	*			trans	-99.2	117.8	166.4	-151.4	176.7	-164.2	-155.2	3.3	112.9
1183	S	30.7	Very low	34.4	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	78%	0.778	S	S	*	*			trans	55.9	112.3	159.6	54.7	0	0	0	0	120.2
1184	V	30.9	Very low	33.9	Very low	156 Å²	156	135.9 Å²	135.9	95%	0.945	77%	0.774	S	S	*	*			trans	-128.9	134.3	132.6	-179.6	0	0	0	0	107.6
1185	G	28.1	Very low	33.2	Very low	73 Å²	73	140.8 Å²	140.8	75%	0.753	79%	0.788	S	S	*	*			trans	-162.4	61.3	-167	0	0	0	0	0	115.6
1186	S	28.1	Very low	33	Very low	124 Å²	124	142 Å²	142	87%	0.867	79%	0.792	S	S	*	*			trans	74.7	143.3	175.1	-157.3	0	0	0	0	117.3
1187	A	29.6	Very low	33.4	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	78%	0.784	S	S	*	*			trans	-105	176.4	171.6	0	0	0	0	0	110.9
1188	V	29.3	Very low	32.9	Very low	133 Å²	133	134.4 Å²	134.4	81%	0.806	77%	0.772	S	S	*	*			trans	-179.8	130.6	130.3	143.1	0	0	0	0	112.8
1189	T	29.2	Very low	32.5	Very low	131 Å²	131	133.2 Å²	133.2	80%	0.804	78%	0.778	S	S	*	*			trans	47.6	107.5	161.9	57.5	0	0	0	0	123.2
1190	A	31.2	Very low	32.1	Very low	90 Å²	90	132.3 Å²	132.3	74%	0.744	77%	0.773	S	S	*	*			trans	-27.3	158.9	146.8	0	0	0	0	0	121.1
1191	H	28.8	Very low	31.6	Very low	180 Å²	180	134.1 Å²	134.1	83%	0.833	77%	0.772	S	S	*	*				-164.5	147.8	120.1	-118.3	-75.8	0	0	0	114.6
1192	V	30.8	Very low	31.8	Very low	111 Å²	111	139.1 Å²	139.1	67%	0.673	77%	0.774	S	S	*	*			trans	74.4	103.7	155.4	-178.8	0	0	0	0	120.7
1193	N	31.9	Very low	32.9	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	76%	0.763	S	S	*	*			trans	72.6	129.7	130.9	-72.4	46.3	0	0	0	126.7
1194	D	31.4	Very low	32.9	Very low	124 Å²	124	135.8 Å²	135.8	66%	0.663	77%	0.766	S	S	*	*				97.3	122.4	123.4	-74.8	-29.8	0	0	0	125
1195	Y	28.4	Very low	32.8	Very low	219 Å²	219	135.9 Å²	135.9	86%	0.859	76%	0.761	S	S	*	*			trans	77	139.8	146.8	-85.8	-109.3	0	0	0	124.2
1196	K	36.2	Very low	34.5	Very low	179 Å²	179	137.5 Å²	137.5	78%	0.778	76%	0.759	S	S	*	*			trans	-63.8	172.9	165.8	-110.7	-165.2	175.1	-172.2	0	111.6
1197	P	49	Very low	35.6	Very low	107 Å²	107	136.9 Å²	136.9	70%	0.695	75%	0.752	S	S	*	*			cis	-138.2	146.1	27.3	46.9	-30	0	0	0	115.6
1198	S	32.9	Very low	35.6	Very low	83 Å²	83	143 Å²	143	58%	0.58	76%	0.758	S	S	*	*				71.6	149.5	92.6	84.4	0	0	0	0	119.1
1199	L	32.8	Very low	35.5	Very low	145 Å²	145	141.7 Å²	141.7	76%	0.759	75%	0.751	S	S	*	*			trans	81.1	141.2	167.6	-52.4	174.2	0	0	0	116.8
1200	D	31.6	Very low	35.4	Very low	136 Å²	136	141.9 Å²	141.9	73%	0.727	75%	0.747	S	S	*	*			cis	-169.1	177.8	-27.4	-116.9	7	0	0	0	112.6
1201	E	29.7	Very low	35.3	Very low	186 Å²	186	143.1 Å²	143.1	87%	0.869	75%	0.745	S	S	*	*			trans	89	137.9	158.5	-54.9	-130.7	120.3	0	0	121.6
1202	E	34.8	Very low	35.4	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	74%	0.738	S	S	*	*			trans	-103.3	-134.2	-177.5	-43.6	-179.5	81.9	0	0	110.1
1203	P	56.5	Low	35.4	Very low	105 Å²	105	140.2 Å²	140.2	68%	0.682	74%	0.74	S	S	*	*			cis	-134	166	-7.6	23	3.9	0	0	0	119
1204	E	29.6	Very low	35.5	Very low	172 Å²	172	142 Å²	142	80%	0.804	74%	0.742	S	S	*	*			trans	53.3	112	141.2	-65.5	-176.2	151.2	0	0	123.9
1205	N	29.4	Very low	35.7	Very low	157 Å²	157	143 Å²	143	84%	0.84	74%	0.742	S	S	*	*				48	157.7	102.4	-86	-33.2	0	0	0	123.2
1206	P	62.6	Low	35.9	Very low	107 Å²	107	138.7 Å²	138.7	70%	0.695	73%	0.733	S	S	*	*			trans	-100.7	173	-157.1	43.2	-40.2	0	0	0	114.4
1207	P	52.7	Low	35.7	Very low	111 Å²	111	138.2 Å²	138.2	72%	0.721	73%	0.731	S	S	*	*				-156.7	160.3	94.3	42.1	-23.5	0	0	0	118.7
1208	Y	28.5	Very low	34.8	Very low	213 Å²	213	140.2 Å²	140.2	84%	0.835	74%	0.735	S	S	*	*			trans	55.9	126.9	137.8	-84.5	-119.5	0	0	0	124.4
1209	T	27.2	Very low	34.8	Very low	107 Å²	107	145.2 Å²	145.2	66%	0.656	75%	0.747	S	S	*	*			trans	79.4	129.3	135.6	51	0	0	0	0	124.3
1210	N	27.6	Very low	36.1	Very low	134 Å²	134	143.1 Å²	143.1	72%	0.717	74%	0.741	S	S	*	*			trans	83.3	116.2	133.2	-71.8	2.1	0	0	0	122.7
1211	T	29.1	Very low	36.2	Very low	117 Å²	117	144.4 Å²	144.4	72%	0.718	75%	0.747	S	S	*	*			trans	70	115.3	132	58.7	0	0	0	0	121.3
1212	S	30.6	Very low	36.3	Very low	96 Å²	96	140.7 Å²	140.7	67%	0.671	74%	0.742	S	S	*	*				74.8	125	128.9	63.7	0	0	0	0	121.4
1213	D	31.1	Very low	36.5	Very low	133 Å²	133	139.9 Å²	139.9	71%	0.711	74%	0.738	S	S	*	*			trans	87.8	91	131.1	-63	4.1	0	0	0	121.8
1214	F	34	Very low	35.5	Very low	167 Å²	167	141 Å²	141	73%	0.732	74%	0.743	S	S	*	*				84.1	132.4	118.5	-82.6	-69.9	0	0	0	123.4
1215	H	34.7	Very low	35.9	Very low	144 Å²	144	139.6 Å²	139.6	67%	0.667	74%	0.741	S	S	*	*			trans	83.3	94.2	138.9	-76.9	-37.9	0	0	0	123.2
1216	L	33.6	Very low	36.4	Very low	129 Å²	129	137.5 Å²	137.5	68%	0.675	74%	0.739	S	S	*	*				77	141.6	114.2	-76.5	177.8	0	0	0	123.2
1217	K	30.8	Very low	35.2	Very low	169 Å²	169	137.4 Å²	137.4	74%	0.735	75%	0.747	S	S	*	*			trans	81.7	87.7	142.4	-78.8	168.6	178.8	176.1	0	121
1218	L	30.7	Very low	34.9	Very low	150 Å²	150	137.4 Å²	137.4	79%	0.785	75%	0.75	S	S	*	*				54.9	131.3	104.8	-72.1	163.7	0	0	0	121.6
1219	K	33.9	Very low	35.6	Very low	188 Å²	188	132.7 Å²	132.7	82%	0.817	75%	0.748	S	S	*	*			trans	79.4	162	140.6	-83.9	-170.6	175.2	-172.8	0	119.3
1220	P	58.5	Low	36.4	Very low	100 Å²	100	140.2 Å²	140.2	65%	0.649	78%	0.776	S	S	*	*			cis	-143.6	-173.3	-26.9	39.2	-20.7	0	0	0	116.1
1221	L	34.3	Very low	36.9	Very low	163 Å²	163	140.5 Å²	140.5	85%	0.853	78%	0.779	S	S	*	*			trans	76.8	153.1	162.3	-65.9	162.5	0	0	0	116.2
1222	S	31.6	Very low	37.3	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	78%	0.782	S	S	*	*			cis	-137.8	-162.7	21	61.7	0	0	0	0	115.5
1223	Q	40.4	Very low	37.6	Very low	167 Å²	167	144.3 Å²	144.3	78%	0.78	79%	0.788	S	S	*	*			trans	-72.4	171.4	-178.8	-64.3	157.8	-68.7	0	0	111.9
1224	T	35.5	Very low	38	Very low	128 Å²	128	144.9 Å²	144.9	79%	0.785	79%	0.793	S	S	*	*			cis	-158.4	172.1	47.5	55	0	0	0	0	115.8
1225	D	36.8	Very low	38.3	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	80%	0.796	S	S	*	*			trans	-41.2	165.6	158.6	-56.1	-82.7	0	0	0	116
1226	S	39.3	Very low	38.5	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	81%	0.805	S	S	*	*			cis	-171.4	165.9	-11.5	48.5	0	0	0	0	110.4
1227	A	38.9	Very low	38.9	Very low	104 Å²	104	144.6 Å²	144.6	86%	0.86	81%	0.814	S	S	*	*			trans	-176.5	167.4	145.6	0	0	0	0	0	111.1
1228	S	45.8	Very low	39.5	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	82%	0.82	S	S	*	*			trans	-151.4	177.1	-168.3	62.8	0	0	0	0	114.5
1229	S	43	Very low	40.2	Very low	115 Å²	115	142.1 Å²	142.1	80%	0.804	82%	0.823	S	S	*	*			trans	94	136.4	176.9	-42	0	0	0	0	114.7
1230	Q	44.6	Very low	40.8	Very low	264 Å²	264	137.9 Å²	137.9	100%	1.234	82%	0.824	S	S	*	*			cis	-143.6	0	-1.4	-163.4	171.2	31.2	0	0	111.4

Retrieved 1,230 of 1,230 residues in 291.7 ms (Link to these results)

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