A0A087XJZ2_POEFO Loading...

Nuclear factor of activated T cells 3

AlphaFold DB , UniProt , Accession A0A087XJZ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,083 aa.

						>A0A087XJZ2_POEFO|A0A087XJZ2
MSKMWCLQYSSMVIIPFLSIVDLEHDDNTSFYIVNVGQPQSMVTNHQSIGLPRHGMHSHPQVISTSPRLPSHKTGTEHLSYEAQGSKYGTSSLLPSAPVEAPKAFECPSIQITSISPSCQQELDASEGELTANGPDGDYHGDRPLSRDHLYLPLDHSYRDSSLSPSPCSSLSSRSWFSDASSCESFSHVYDDVDSELNEAAARFSLGSPLTSPVCVSPQAVGGVLEEQSPWQHHHPPFVHHTHSTLSPRQSPCHSPRNSVTDENWLSPRSPSRPSSRPTSPCGKRRHSSADICYPGSLSPHHSPTPTPGHSPRGSVTEDTWAGSPTMGMSPFQCCPSETDIPSKTRKTSQDRTSLQTGKGEMALDDQEILSSNLDSPPDDTMHSMKKDGPAEQFLSVPSHFSWNKPKPGHTPIFRTTSLPPLDWPLPSQFGQYELKIEVQPKAHHRAHYETEGSRGAVKAASGGHPIVKLTGYNDKPVNLQMFIGTADDRYLRPHAFYQVHRITGKTVATASQEIVLSSTKVLEIPLLPENSMSASIDCAGILKLRNSDIELRKGETDIGRKNTRVRVVFRVHIPQPNGKVLSLQAASIPVECSQRSAQELPQVEKSNLTSCLVSGGEEMVITGSNFFPESKVIFLEKGPDGRPQWEVEAKIIREKTQGSCIVVEVPPYHSKTVTSAVQVQFYVCNGKRKRSQSQRFTYLSVMVKQEHRDELDLTAVPPISMPLAHAPSLVHPQLPSPDQGHPSDNLLSSSLHSLATGSGPGLLPLPGPCPSLSSPPFQHLPHLQGHSLHHPPADCHMTFHQGSVPAPPRPTYQPLQHSPSHSLSFNGQPSLPSQSYERMSFQQSPTATSHPIGLGIVYSSSCSSPSALSSSPTNPIVGSPQNHQPMLSPSSPHLHTLGGFHCSPNPSQVPSQGGHPLSGQHSSQLQRGLGYHPVSQRSASCPTPSTAPPQRMIPSPHSGPSSPQVHPLPYQSPTSSSPTSAGSPLGPLQQHSGQPSPQAMSPVMTSLSPAAVGPLVHPLSPQGPFPSEGERLNIKQEPEEREPTFRSIGLQDITLDDVNEIIGRDMSQSPSAHGPQSAHNHS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26	Very low	27.1	Very low	144 Å²	144	124.4 Å²	124.4	71%	0.709	63%	0.632	S	S	*	*				0	84.6	0	-62	-175.2	179	0	0	105.5	L1051	M1-L1051 WeakPolarHBondContact CA-O 3.44Å; M1-L1051 WeakPolarHBondContact CB-O 3.37Å; M1-L1051 PolarHBondContact N-O 3.25Å
2	S	24.4	Very low	27	Very low	97 Å²	97	127.4 Å²	127.4	68%	0.678	65%	0.646	S	S	*	*				77.6	126.1	73.3	-64.4	0	0	0	0	109.6
3	K	28.3	Very low	27.1	Very low	164 Å²	164	123.7 Å²	123.7	71%	0.713	63%	0.633	S	S	*	*			cis	-152.5	146.9	17.3	-96.2	138.8	179.6	-174.8	0	106.1	W5	K3-W5 HydrophobicContact CB-CB 4.48Å
4	M	31.5	Very low	27.1	Very low	178 Å²	178	126.9 Å²	126.9	88%	0.877	65%	0.649	S	S	*	*			cis	41.2	89.1	32.8	-173.9	167.9	73.9	0	0	113.4
5	W	26.3	Very low	27.3	Very low	193 Å²	193	127.5 Å²	127.5	73%	0.731	65%	0.652	S	S	*	*			trans	-171	169.5	156.9	-112.9	40	0	0	0	111.9	K3 I110	K3-W5 HydrophobicContact CB-CB 4.48Å; W5-I110 WeakPolarHBondContact O-CD1 3.48Å
6	C	26.1	Very low	28.2	Very low	37 Å²	37	126.2 Å²	126.2	25%	0.25	66%	0.655	C	S	.	*			trans	66.8	70.9	166.3	-60.9	0	0	0	0	119.5	P108 I110	C6-P108 CarbonylContact C-O 3.57Å; C6-P108 VanDerWaalsContact CA-O 3.27Å; C6-P108 WeakPolarHBondContact CA-O 3.48Å; C6-P108 VanDerWaalsContact CB-O 3.28Å; C6-P108 WeakPolarHBondContact CB-O 3.32Å; C6-I110 HydrophobicContact CB-CD1 3.79Å; C6-I110 HydrophobicContact CB-CG1 3.68Å; C6-I110 WeakPolarHBondContact O-CG1 3.45Å; C6-I110 PolarHBondContact O-N 3.28Å; C6-I110 VanDerWaalsContact O-N 3.15Å
7	L	25	Very low	28.3	Very low	145 Å²	145	129.1 Å²	129.1	76%	0.759	66%	0.662	S	S	*	*	B	Isolated β-bridge	trans	-143.4	84.5	138.2	-123.5	180	0	0	0	111.3
8	Q	26.4	Very low	28.3	Very low	126 Å²	126	131.4 Å²	131.4	59%	0.589	68%	0.675	S	S	*	*			trans	-176.3	143.7	-178.7	-118.5	-172.2	-57.6	0	0	105.8	C107 P108	Q8-C107 CarbonylContact C-O 3.53Å; Q8-C107 HydrophobicContact CB-CB 4.33Å; Q8-C107 CarbonylContact O-C 2.78Å; Q8-C107 WeakPolarHBondContact O-CA 3.38Å; Q8-C107 WeakPolarHBondContact O-CB 3.24Å; Q8-P108 CarbonylContact O-C 3.43Å; Q8-P108 WeakPolarHBondContact O-CA 3.44Å
9	Y	28.7	Very low	28.2	Very low	110 Å²	110	128.9 Å²	128.9	43%	0.431	67%	0.67	S	S	.	*			cis	-101.4	-86.3	0.9	-60.6	171.5	0	0	0	113.1	F105 E106 C107	Y9-F105 VanDerWaalsContact CE1-O 3.27Å; Y9-F105 WeakPolarHBondContact CE1-O 3.34Å; Y9-E106 HydrophobicContact CD1-CB 4.39Å; Y9-E106 HydrophobicContact CD1-CG 3.96Å; Y9-E106 HydrophobicContact CG-CG 4.22Å; Y9-C107 HydrophobicContact CD2-CB 3.74Å; Y9-C107 HydrophobicContact CE2-CB 3.78Å; Y9-C107 WeakPolarHBondContact CE2-SG 3.36Å; Y9-C107 HydrophobicContact CG-CB 4.34Å; Y9-C107 PolarHBondContact N-O 3.21Å; Y9-C107 VanDerWaalsContact N-O 3.1Å
10	S	25.2	Very low	28.1	Very low	108 Å²	108	130.6 Å²	130.6	76%	0.755	68%	0.678	S	S	*	*			trans	100.1	39.4	-154.3	-96.1	0	0	0	0	112.3	E106	S10-E106 VanDerWaalsContact CA-OE1 3.28Å; S10-E106 WeakPolarHBondContact CA-OE1 3.26Å; S10-E106 WeakPolarHBondContact CB-OE1 3.31Å; S10-E106 PolarHBondContact N-OE1 2.42Å; S10-E106 PolarHBondContact OG-OE1 2.8Å
11	S	29.8	Very low	28	Very low	66 Å²	66	130.1 Å²	130.1	46%	0.462	68%	0.681	S	S	.	*			trans	-125.8	102.5	-170.1	-67.9	0	0	0	0	112.4	E106	S11-E106 PolarHBondContact N-OE1 2.96Å
12	M	26.9	Very low	28.1	Very low	161 Å²	161	131.2 Å²	131.2	79%	0.793	69%	0.689	S	S	*	*			trans	-102.6	141.2	162	-154.9	163.7	85.8	0	0	111.6
13	V	27.3	Very low	28.2	Very low	79 Å²	79	133.6 Å²	133.6	48%	0.479	69%	0.694	S	S	.	*			trans	-92.6	145.5	-165.2	173.4	0	0	0	0	112.4	I15 A104	V13-I15 HydrophobicContact CG1-CB 4.26Å; V13-I15 HydrophobicContact CG1-CD1 4.32Å; V13-I15 HydrophobicContact CG1-CG1 4.1Å; V13-A104 HydrophobicContact CG2-CB 3.75Å
14	I	27.2	Very low	28.1	Very low	168 Å²	168	134.2 Å²	134.2	86%	0.862	70%	0.699	S	S	*	*			trans	-129.5	120.5	152.8	-60.5	-178.3	0	0	0	109.2
15	I	29.8	Very low	28	Very low	136 Å²	136	134.2 Å²	134.2	70%	0.697	70%	0.697	S	S	*	*			trans	-146	127.8	172.6	-78	-179.3	0	0	0	103.7	V13	V13-I15 HydrophobicContact CG1-CB 4.26Å; V13-I15 HydrophobicContact CG1-CD1 4.32Å; V13-I15 HydrophobicContact CG1-CG1 4.1Å
16	P	42.5	Very low	28	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	70%	0.698	S	S	*	*				-148.4	144.6	95.5	33.5	-13.3	0	0	0	117.9
17	F	29.8	Very low	28.2	Very low	176 Å²	176	135.8 Å²	135.8	77%	0.772	72%	0.717	S	S	*	*			trans	39.5	128.3	139.3	-72.3	-89.7	0	0	0	122.2
18	L	28	Very low	28.2	Very low	170 Å²	170	135 Å²	135	89%	0.89	71%	0.714	S	S	*	*				-148.6	154.7	100.2	-110.6	170	0	0	0	111.3
19	S	26.2	Very low	28.3	Very low	84 Å²	84	133.9 Å²	133.9	59%	0.587	72%	0.716	S	S	*	*			trans	-133	142.9	-173.4	53.9	0	0	0	0	110.1
20	I	27.2	Very low	28.2	Very low	162 Å²	162	134 Å²	134	83%	0.831	73%	0.733	S	S	*	*			trans	-155.7	127.8	164.9	-119.8	156	0	0	0	113.1
21	V	25.9	Very low	28.2	Very low	122 Å²	122	137.9 Å²	137.9	74%	0.739	74%	0.736	S	S	*	*			trans	18.4	127.2	165.3	-76.1	0	0	0	0	122.9
22	D	27.2	Very low	28.1	Very low	166 Å²	166	145 Å²	145	89%	0.888	76%	0.755	S	S	*	*			trans	-63.3	147.4	136	-96.2	-54.1	0	0	0	110.5
23	L	27.2	Very low	28.2	Very low	148 Å²	148	144.2 Å²	144.2	78%	0.775	75%	0.752	S	S	*	*			trans	-137.6	113.8	169.2	-165.1	77.6	0	0	0	110.5
24	E	26.1	Very low	28.1	Very low	177 Å²	177	146.5 Å²	146.5	83%	0.827	77%	0.766	S	S	*	*			trans	-75.6	152.7	170.6	-165.5	172.2	-150.3	0	0	110.4
25	H	29.6	Very low	28.1	Very low	177 Å²	177	144.7 Å²	144.7	82%	0.819	76%	0.758	S	S	*	*			trans	-140.9	140.1	160.1	-106.2	56.1	0	0	0	109.9
26	D	26.7	Very low	27.9	Very low	141 Å²	141	145.4 Å²	145.4	75%	0.754	77%	0.768	S	S	*	*			trans	-97	174.4	-165.5	-150.6	-17.4	0	0	0	112.4
27	D	29.2	Very low	27.2	Very low	122 Å²	122	144 Å²	144	65%	0.652	77%	0.773	S	S	*	*			trans	40.8	122.6	154.8	-108.1	-26.7	0	0	0	120
28	N	26.3	Very low	27.2	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	78%	0.778	S	S	*	*				-173.6	164.5	75.7	-140	-64	0	0	0	114.1
29	T	26.8	Very low	27.7	Very low	102 Å²	102	140.7 Å²	140.7	63%	0.626	76%	0.763	S	S	*	*			trans	-64.6	152.8	177.2	63.8	0	0	0	0	115.3
30	S	26.9	Very low	27.8	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	78%	0.777	S	S	*	*				170	162	98.7	52	0	0	0	0	114.8
31	F	26.5	Very low	27.8	Very low	188 Å²	188	142.3 Å²	142.3	83%	0.825	77%	0.769	S	S	*	*			trans	-77.3	156.9	-168.2	-59.3	-103	0	0	0	114.5
32	Y	26.2	Very low	27.8	Very low	217 Å²	217	145 Å²	145	85%	0.851	78%	0.775	S	S	*	*				-159.2	133.5	111.3	-111.7	-71.8	0	0	0	112.6	V34	Y32-V34 HydrophobicContact CD1-CG2 4.11Å; Y32-V34 HydrophobicContact CE1-CG2 4.37Å
33	I	29.1	Very low	27.9	Very low	144 Å²	144	143.3 Å²	143.3	74%	0.738	77%	0.77	S	S	*	*			trans	-126.9	130.6	162.6	-66.5	175.8	0	0	0	106.9
34	V	25.8	Very low	28	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	76%	0.764	S	S	*	*			trans	-133.9	139	163	179.6	0	0	0	0	108.3	Y32	Y32-V34 HydrophobicContact CD1-CG2 4.11Å; Y32-V34 HydrophobicContact CE1-CG2 4.37Å
35	N	26.3	Very low	28.2	Very low	130 Å²	130	139 Å²	139	70%	0.695	76%	0.758	S	S	*	*			trans	-107.1	-179.6	-173.7	-82.9	-67.9	0	0	0	112.1
36	V	27.5	Very low	28.3	Very low	151 Å²	151	137.6 Å²	137.6	92%	0.915	75%	0.751	S	S	*	*			trans	87.2	128.3	157.9	-166.4	0	0	0	0	116.4
37	G	27.4	Very low	28.5	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	75%	0.752	S	S	*	*			trans	175.4	37.7	179.1	0	0	0	0	0	118
38	Q	28.6	Very low	28.6	Very low	186 Å²	186	136.8 Å²	136.8	87%	0.869	75%	0.748	S	S	*	*			trans	-88	166.1	159.3	-91	-168.1	-2.6	0	0	109.3
39	P	40.1	Very low	28.8	Very low	91 Å²	91	138.5 Å²	138.5	59%	0.591	76%	0.756	S	S	*	*			cis	-146.5	-174.7	24.7	45.9	-27.2	0	0	0	117.8
40	Q	26.7	Very low	28.8	Very low	186 Å²	186	136.6 Å²	136.6	87%	0.869	76%	0.756	S	S	*	*			trans	64.9	168.2	150.4	-73.8	159.5	12.2	0	0	120.6
41	S	27.4	Very low	29.1	Very low	94 Å²	94	139.4 Å²	139.4	66%	0.657	76%	0.761	S	S	*	*			cis	178.2	161.7	-42.7	-167.5	0	0	0	0	110.2
42	M	26.8	Very low	30.3	Very low	179 Å²	179	135.5 Å²	135.5	88%	0.882	76%	0.755	S	S	*	*			trans	71.3	155.3	167.2	-50.6	-163.6	177.5	0	0	116.7
43	V	28.4	Very low	30.7	Very low	129 Å²	129	135.4 Å²	135.4	78%	0.782	75%	0.753	S	S	*	*			cis	-126.2	-145.6	3.3	75.5	0	0	0	0	112.4
44	T	29.8	Very low	31.1	Very low	106 Å²	106	135.5 Å²	135.5	65%	0.65	75%	0.75	S	S	*	*			trans	-145	-163.3	-161.4	59.9	0	0	0	0	113.1
45	N	29.8	Very low	31.1	Very low	129 Å²	129	132.6 Å²	132.6	69%	0.69	75%	0.746	S	S	*	*			trans	97.4	141.1	156.3	-67	-3.4	0	0	0	118.7
46	H	32.5	Very low	31.4	Very low	147 Å²	147	132.9 Å²	132.9	68%	0.681	75%	0.745	S	S	*	*			cis	-168.2	162.5	-14	-136.1	-45.1	0	0	0	114.5
47	Q	29.6	Very low	31.6	Very low	164 Å²	164	133.3 Å²	133.3	77%	0.766	74%	0.736	S	S	*	*			trans	103.6	150.6	139.1	-78.6	170.6	25.1	0	0	120.4
48	S	32.2	Very low	31.5	Very low	82 Å²	82	134.5 Å²	134.5	57%	0.573	73%	0.733	S	S	*	*			cis	179.7	167.9	-47	53.2	0	0	0	0	113.7
49	I	30.2	Very low	31.4	Very low	167 Å²	167	134.7 Å²	134.7	86%	0.856	73%	0.733	S	S	*	*			trans	80	140.6	159.8	-58.1	151.8	0	0	0	118.1
50	G	27.9	Very low	31.6	Very low	62 Å²	62	135.8 Å²	135.8	64%	0.639	74%	0.741	S	S	*	*			cis	153.9	136.6	-20.5	0	0	0	0	0	119.3
51	L	33.2	Very low	31.6	Very low	171 Å²	171	134.1 Å²	134.1	90%	0.895	73%	0.733	S	S	*	*			trans	71.2	172	150.1	-67.6	169.5	0	0	0	120.3
52	P	50.7	Low	31.6	Very low	107 Å²	107	135.5 Å²	135.5	70%	0.695	74%	0.737	S	S	*	*			cis	-141.1	155	4.8	40.9	-21.4	0	0	0	121.2
53	R	34.7	Very low	31.7	Very low	214 Å²	214	133.3 Å²	133.3	81%	0.808	73%	0.727	S	S	*	*			trans	55.7	161.2	136.6	-72.4	179.3	167.6	-160	-2.8	122.9
54	H	37.9	Very low	31.5	Very low	146 Å²	146	132 Å²	132	68%	0.676	72%	0.724	S	S	*	*			cis	-159.8	165	6.7	-133	-29.9	0	0	0	116.1
55	G	26.3	Very low	31.4	Very low	66 Å²	66	133 Å²	133	68%	0.68	73%	0.73	S	S	*	*			trans	105.7	109.1	164.5	0	0	0	0	0	116.5
56	M	31.2	Very low	31.5	Very low	136 Å²	136	132 Å²	132	67%	0.67	73%	0.733	S	S	*	*			cis	91.7	136.8	35.3	-56.6	-100.8	65.6	0	0	113.8
57	H	31.3	Very low	31.7	Very low	160 Å²	160	129.9 Å²	129.9	74%	0.741	73%	0.732	S	S	*	*			cis	-112	-117.8	6.4	-63.7	-93.9	0	0	0	114.8
58	S	26.4	Very low	31.5	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	74%	0.738	S	S	*	*			cis	-157.7	178.4	9.9	-62.1	0	0	0	0	111.8
59	H	26.6	Very low	31.7	Very low	189 Å²	189	137.3 Å²	137.3	88%	0.875	75%	0.752	S	S	*	*			trans	-150.9	176.5	-172	-81.4	-54.8	0	0	0	114.3
60	P	44.8	Very low	31.7	Very low	115 Å²	115	135.5 Å²	135.5	75%	0.747	75%	0.751	S	S	*	*			cis	-123.7	-158	3.1	45.2	-30.3	0	0	0	113.2
61	Q	26.6	Very low	31.6	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	75%	0.751	S	S	*	*			cis	-125.4	-169.5	-4.2	-92.3	-158.2	25.8	0	0	110.3
62	V	27	Very low	31.3	Very low	122 Å²	122	136.5 Å²	136.5	74%	0.739	74%	0.744	S	S	*	*			cis	76.2	121.2	27.6	-136.9	0	0	0	0	114.3
63	I	28.2	Very low	30.3	Very low	134 Å²	134	140.3 Å²	140.3	69%	0.687	75%	0.75	S	S	*	*				-164.9	139.9	65.5	-84.4	172.6	0	0	0	113.2
64	S	24.9	Very low	29.9	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	75%	0.75	S	S	*	*			trans	47.4	159.2	148.7	-63.1	0	0	0	0	123.5
65	T	26.8	Very low	29.3	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	75%	0.747	S	S	*	*			cis	-161.8	156.3	-12.5	19.7	0	0	0	0	110.5
66	S	32.3	Very low	29.3	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	75%	0.754	S	S	*	*			trans	-99.8	147.7	151.6	178.2	0	0	0	0	109.7
67	P	37.1	Very low	29	Very low	103 Å²	103	137.8 Å²	137.8	67%	0.669	76%	0.763	S	S	*	*				-148.9	142	125.4	35.8	-19.3	0	0	0	117.2
68	R	25.7	Very low	28.8	Very low	236 Å²	236	137.7 Å²	137.7	89%	0.891	76%	0.763	S	S	*	*			trans	55.2	132.7	132.8	-60.4	179.5	178	177.4	-0.9	122.4
69	L	35.2	Very low	28.8	Very low	166 Å²	166	140 Å²	140	87%	0.869	77%	0.766	S	S	*	*			trans	-60.2	157.1	151.1	-67	159.9	0	0	0	111.8
70	P	31	Very low	28.6	Very low	129 Å²	129	135.7 Å²	135.7	84%	0.838	76%	0.758	S	S	*	*				-140.4	-175.2	101.3	39.6	-27	0	0	0	114.7
71	S	25.8	Very low	27.8	Very low	90 Å²	90	140.3 Å²	140.3	63%	0.629	76%	0.761	S	S	*	*			trans	-130.6	175.1	-172	179	0	0	0	0	112.2
72	H	27.9	Very low	27.7	Very low	164 Å²	164	140.6 Å²	140.6	76%	0.759	76%	0.763	S	S	*	*			trans	74.9	159.4	171.3	-48.3	-74.9	0	0	0	116.5
73	K	28.8	Very low	27.7	Very low	187 Å²	187	139.1 Å²	139.1	81%	0.813	76%	0.764	S	S	*	*			cis	-128.5	175.7	4.3	-102.3	112.6	175.7	-170.4	0	108.8
74	T	26.4	Very low	27.6	Very low	130 Å²	130	141.4 Å²	141.4	80%	0.798	77%	0.772	S	S	*	*			cis	-153.7	159.9	19.8	-14.3	0	0	0	0	106.1
75	G	24.5	Very low	27.7	Very low	61 Å²	61	139.8 Å²	139.8	63%	0.629	77%	0.77	S	S	*	*			cis	76.4	129.2	39.3	0	0	0	0	0	110.9
76	T	27.5	Very low	27.9	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	77%	0.767	S	S	*	*			cis	-164.9	161.7	2.9	-64.2	0	0	0	0	107.3
77	E	24.5	Very low	27.8	Very low	185 Å²	185	140.9 Å²	140.9	86%	0.864	76%	0.763	S	S	*	*			trans	-176.5	172.2	144.4	-94.2	-81.6	92.9	0	0	109.2
78	H	26.2	Very low	27.5	Very low	158 Å²	158	146.1 Å²	146.1	73%	0.731	77%	0.772	S	S	*	*			trans	-146.4	179	-165.2	-175.7	-100.4	0	0	0	111
79	L	26.4	Very low	27.5	Very low	151 Å²	151	137.8 Å²	137.8	79%	0.791	76%	0.759	S	S	*	*			trans	71.3	161.3	-179	-64.6	97.2	0	0	0	116.4
80	S	24.3	Very low	27.1	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	76%	0.762	S	S	*	*			cis	-173	169.6	-36.3	-164.9	0	0	0	0	110.5
81	Y	26.6	Very low	27	Very low	211 Å²	211	135.7 Å²	135.7	83%	0.827	76%	0.755	S	S	*	*			trans	87.8	150.3	151.3	-122.8	-99.6	0	0	0	122.1
82	E	25.3	Very low	27.1	Very low	157 Å²	157	136.1 Å²	136.1	73%	0.734	76%	0.758	S	S	*	*			trans	-102.9	163.2	-177.1	-54.6	163.2	77.7	0	0	112.7
83	A	27.4	Very low	27.2	Very low	92 Å²	92	136.6 Å²	136.6	76%	0.76	77%	0.765	S	S	*	*			trans	-177.9	129.7	135.7	0	0	0	0	0	109.5
84	Q	26.2	Very low	27.3	Very low	182 Å²	182	135.3 Å²	135.3	85%	0.85	77%	0.766	S	S	*	*				78.9	126.8	56.1	-84.7	-73.2	-7.9	0	0	115.7
85	G	25.8	Very low	27.8	Very low	65 Å²	65	134.3 Å²	134.3	67%	0.67	76%	0.762	S	S	*	*			trans	136.9	92	-174.9	0	0	0	0	0	111.7
86	S	31.3	Very low	27.9	Very low	103 Å²	103	137 Å²	137	72%	0.72	77%	0.771	S	S	*	*				68.1	125	52.5	-150.2	0	0	0	0	111.5
87	K	30.5	Very low	28.1	Very low	155 Å²	155	135.1 Å²	135.1	67%	0.674	77%	0.769	S	S	*	*				-170.9	155.7	62.7	-81.6	171.1	173.9	169.1	0	114.2
88	Y	29.6	Very low	28.8	Very low	214 Å²	214	131.6 Å²	131.6	84%	0.839	76%	0.762	S	S	*	*			trans	53.9	149.6	153.8	-49.8	-45.1	0	0	0	121
89	G	26.4	Very low	29	Very low	61 Å²	61	130.1 Å²	130.1	63%	0.629	76%	0.764	S	S	*	*			cis	151.3	128.8	-13.6	0	0	0	0	0	115.7
90	T	28	Very low	29	Very low	151 Å²	151	131.7 Å²	131.7	93%	0.926	77%	0.768	S	S	*	*			trans	59.1	160.1	160.9	49.6	0	0	0	0	120.5
91	S	27.6	Very low	29.5	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	77%	0.769	S	S	*	*			cis	-173.1	157.1	-36.1	-172	0	0	0	0	110.6
92	S	28.8	Very low	29.8	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	77%	0.771	S	S	*	*			trans	69.1	119.8	154	-56.5	0	0	0	0	121.2
93	L	28.8	Very low	30.2	Very low	175 Å²	175	128.1 Å²	128.1	92%	0.916	77%	0.771	S	S	*	*				-177.1	152.5	104.9	-94.9	168.8	0	0	0	112.2
94	L	31.1	Very low	30.4	Very low	159 Å²	159	126.9 Å²	126.9	83%	0.832	76%	0.761	S	S	*	*			trans	-118.7	150.3	172.2	-96.3	170.1	0	0	0	108.4
95	P	36.2	Very low	30.7	Very low	110 Å²	110	127.2 Å²	127.2	71%	0.714	76%	0.76	S	S	*	*				-153.3	-178.4	93	40.7	-22.2	0	0	0	116.9
96	S	28.5	Very low	30.9	Very low	117 Å²	117	128.2 Å²	128.2	82%	0.818	75%	0.747	S	S	*	*			trans	69.4	119	160	49.3	0	0	0	0	120.7
97	A	31.4	Very low	30.7	Very low	93 Å²	93	126 Å²	126	77%	0.769	73%	0.731	S	S	*	*			trans	-94.3	-176.8	154.6	0	0	0	0	0	108.7
98	P	38.9	Very low	31.1	Very low	111 Å²	111	122 Å²	122	72%	0.721	72%	0.721	S	S	*	*			cis	-139.8	-167	13.9	35.2	-10.7	0	0	0	116
99	V	29.4	Very low	31.1	Very low	127 Å²	127	115.6 Å²	115.6	77%	0.77	71%	0.708	S	S	*	*			trans	75.2	136.5	171.1	-162.1	0	0	0	0	112.9
100	E	27.8	Very low	31.4	Very low	185 Å²	185	117.4 Å²	117.4	86%	0.864	70%	0.702	S	S	*	*			cis	-137.8	-179.8	7.2	-143.1	161.8	146.6	0	0	112.1
101	A	33.5	Very low	31.5	Very low	89 Å²	89	119 Å²	119	74%	0.736	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-91.4	139	-176.1	0	0	0	0	0	114.4
102	P	34.1	Very low	31.9	Very low	132 Å²	132	121.6 Å²	121.6	86%	0.857	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-75.8	132.1	171.8	-12.4	28.4	0	0	0	112.4
103	K	32.1	Very low	32	Very low	172 Å²	172	123.9 Å²	123.9	75%	0.748	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-89.9	148.4	176.4	-162.7	173.8	-178.1	-178.1	0	111.5
104	A	33	Very low	32.1	Very low	66 Å²	66	120.9 Å²	120.9	55%	0.545	71%	0.707	S	S	.	*	P	Polyproline II helix	trans	-67.2	156.1	-178.8	0	0	0	0	0	113.5	V13	V13-A104 HydrophobicContact CG2-CB 3.75Å
105	F	31.2	Very low	32	Very low	189 Å²	189	121.6 Å²	121.6	83%	0.829	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-70.8	143.9	177.2	-95.2	-93.2	0	0	0	113	Y9	Y9-F105 VanDerWaalsContact CE1-O 3.27Å; Y9-F105 WeakPolarHBondContact CE1-O 3.34Å
106	E	30	Very low	31.6	Very low	85 Å²	85	121.5 Å²	121.5	40%	0.397	71%	0.712	S	S	.	*			trans	-144.7	132.9	178.6	-152.8	-178.3	169.2	0	0	110.8	Y9 S10 S11	Y9-E106 HydrophobicContact CD1-CB 4.39Å; Y9-E106 HydrophobicContact CD1-CG 3.96Å; Y9-E106 HydrophobicContact CG-CG 4.22Å; S10-E106 VanDerWaalsContact CA-OE1 3.28Å; S10-E106 WeakPolarHBondContact CA-OE1 3.26Å; S10-E106 WeakPolarHBondContact CB-OE1 3.31Å; S10-E106 PolarHBondContact N-OE1 2.42Å; S10-E106 PolarHBondContact OG-OE1 2.8Å; S11-E106 PolarHBondContact N-OE1 2.96Å
107	C	28.7	Very low	32	Very low	57 Å²	57	122.1 Å²	122.1	39%	0.385	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-94.9	171.6	-176.8	-67.3	0	0	0	0	113.4	Q8 Y9	Q8-C107 CarbonylContact C-O 3.53Å; Q8-C107 HydrophobicContact CB-CB 4.33Å; Q8-C107 CarbonylContact O-C 2.78Å; Q8-C107 WeakPolarHBondContact O-CA 3.38Å; Q8-C107 WeakPolarHBondContact O-CB 3.24Å; Y9-C107 HydrophobicContact CD2-CB 3.74Å; Y9-C107 HydrophobicContact CE2-CB 3.78Å; Y9-C107 WeakPolarHBondContact CE2-SG 3.36Å; Y9-C107 HydrophobicContact CG-CB 4.34Å; Y9-C107 PolarHBondContact N-O 3.21Å; Y9-C107 VanDerWaalsContact N-O 3.1Å
108	P	37.9	Very low	31.9	Very low	72 Å²	72	123.8 Å²	123.8	47%	0.468	72%	0.719	S	S	.	*	P	Polyproline II helix	trans	-95.7	146.8	-176.4	7.1	13.9	0	0	0	116.3	C6 Q8	C6-P108 CarbonylContact C-O 3.57Å; C6-P108 VanDerWaalsContact CA-O 3.27Å; C6-P108 WeakPolarHBondContact CA-O 3.48Å; C6-P108 VanDerWaalsContact CB-O 3.28Å; C6-P108 WeakPolarHBondContact CB-O 3.32Å; Q8-P108 CarbonylContact O-C 3.43Å; Q8-P108 WeakPolarHBondContact O-CA 3.44Å
109	S	29.7	Very low	31.3	Very low	79 Å²	79	123.4 Å²	123.4	55%	0.552	72%	0.718	S	S	*	*	B	Isolated β-bridge	trans	-87.6	161.6	166.9	54.6	0	0	0	0	113.7
110	I	31.9	Very low	31.3	Very low	98 Å²	98	123 Å²	123	50%	0.503	71%	0.708	S	S	.	*			trans	-105.2	143.5	161.7	-73.2	166	0	0	0	110.4	W5 C6 I112	W5-I110 WeakPolarHBondContact O-CD1 3.48Å; C6-I110 HydrophobicContact CB-CD1 3.79Å; C6-I110 HydrophobicContact CB-CG1 3.68Å; C6-I110 WeakPolarHBondContact O-CG1 3.45Å; C6-I110 PolarHBondContact O-N 3.28Å; C6-I110 VanDerWaalsContact O-N 3.15Å; I110-I112 HydrophobicContact CG2-CG1 4.29Å
111	Q	31.6	Very low	31.3	Very low	184 Å²	184	116.9 Å²	116.9	86%	0.86	68%	0.679	S	S	*	*			trans	-125	157.7	161.9	-72.7	-175.6	-18.6	0	0	109.7
112	I	36.4	Very low	31	Very low	155 Å²	155	119.2 Å²	119.2	80%	0.795	67%	0.674	S	S	*	*			trans	-131.9	129.1	179.4	-58.6	173.3	0	0	0	108.5	I110	I110-I112 HydrophobicContact CG2-CG1 4.29Å
113	T	30	Very low	30.8	Very low	147 Å²	147	117 Å²	117	90%	0.902	66%	0.655	S	S	*	*			trans	-142.7	148.5	165.8	40.4	0	0	0	0	111
114	S	31.8	Very low	30.7	Very low	112 Å²	112	115.6 Å²	115.6	78%	0.783	66%	0.656	S	S	*	*			trans	-102.9	154.9	-168.5	53	0	0	0	0	114.1
115	I	27.7	Very low	30.4	Very low	173 Å²	173	116 Å²	116	89%	0.887	66%	0.659	S	S	*	*			trans	-136.1	145.1	160.1	-44.3	178.6	0	0	0	109.3
116	S	28.5	Very low	30.4	Very low	109 Å²	109	111.6 Å²	111.6	76%	0.762	65%	0.651	S	S	*	*			trans	-94.4	165.6	-172.7	-54.7	0	0	0	0	113.8
117	P	36.9	Very low	30.2	Very low	130 Å²	130	116 Å²	116	84%	0.844	67%	0.672	S	S	*	*			trans	-93.1	154.8	-178.3	36.3	-35.1	0	0	0	114.7
118	S	27.9	Very low	30.1	Very low	127 Å²	127	117.1 Å²	117.1	89%	0.888	69%	0.693	S	S	*	*			trans	-147	167.1	162.3	58.3	0	0	0	0	110.2
119	C	27.3	Very low	29.6	Very low	103 Å²	103	122 Å²	122	70%	0.696	71%	0.71	S	S	*	*			trans	-140.2	153.5	-154.1	-165.1	0	0	0	0	115.2
120	Q	29.6	Very low	29.8	Very low	119 Å²	119	124.6 Å²	124.6	56%	0.556	72%	0.717	S	S	*	*			trans	65.1	166.8	162.9	-84.8	160.4	-82.2	0	0	116.1
121	Q	27.9	Very low	29.5	Very low	56 Å²	56	126.3 Å²	126.3	26%	0.262	73%	0.732	S	S	.	*			cis	-144.9	160.6	2.2	-152.6	161.8	-105.7	0	0	112	H287 S288	Q121-H287 VanDerWaalsContact CD-CE1 3.5Å; Q121-H287 PolarHBondContact NE2-CE1 2.84Å; Q121-H287 PolarHBondContact NE2-ND1 3.2Å; Q121-H287 PolarHBondContact OE1-ND1 2.98Å; Q121-S288 PolarHBondContact NE2-OG 3Å; Q121-S288 PolarHBondContact OE1-OG 2.79Å
122	E	25.8	Very low	29.2	Very low	138 Å²	138	121.2 Å²	121.2	65%	0.645	72%	0.721	S	S	*	*				150	171.2	110.3	-83.6	-129.2	107.8	0	0	108.3	R286	E122-R286 VanDerWaalsContact N-NH2 3.15Å
123	L	31.4	Very low	28.6	Very low	87 Å²	87	121.5 Å²	121.5	46%	0.455	72%	0.724	S	S	.	*			cis	-162.8	153.5	-39.9	-166	80.8	0	0	0	107.8
124	D	28.7	Very low	28.5	Very low	142 Å²	142	118.1 Å²	118.1	76%	0.759	72%	0.719	S	S	*	*			trans	54.8	166.3	148.7	-81.7	13.9	0	0	0	122.5
125	A	28.1	Very low	29.1	Very low	73 Å²	73	119 Å²	119	60%	0.603	72%	0.722	S	S	*	*			cis	-159.2	176	-17.3	0	0	0	0	0	109.8
126	S	30.1	Very low	29.3	Very low	97 Å²	97	118.7 Å²	118.7	68%	0.678	72%	0.722	S	S	*	*			trans	66.8	159.8	156.6	-76.5	0	0	0	0	117.9
127	E	26.2	Very low	29.6	Very low	179 Å²	179	116.5 Å²	116.5	84%	0.836	72%	0.717	S	S	*	*			cis	-163.7	-175.5	-21.5	-115.8	167.2	118.4	0	0	107.7
128	G	26.8	Very low	29.3	Very low	80 Å²	80	117.3 Å²	117.3	83%	0.825	71%	0.714	S	S	*	*			trans	104.7	113.9	136.8	0	0	0	0	0	118
129	E	27.4	Very low	29.5	Very low	173 Å²	173	120.1 Å²	120.1	81%	0.808	71%	0.707	S	S	*	*			trans	-76.1	153.7	176.5	-85.8	179	93.7	0	0	116.3
130	L	32.8	Very low	29.9	Very low	135 Å²	135	123.4 Å²	123.4	71%	0.707	71%	0.711	S	S	*	*			trans	73.7	144	134.7	-73.4	171.4	0	0	0	124.4
131	T	25.9	Very low	29.9	Very low	134 Å²	134	121 Å²	121	82%	0.822	72%	0.719	S	S	*	*			trans	67.6	153.4	153.3	53.6	0	0	0	0	120.4
132	A	26.1	Very low	30.2	Very low	76 Å²	76	126.4 Å²	126.4	63%	0.628	75%	0.75	S	S	*	*			cis	-170	159.3	-27.5	0	0	0	0	0	112.4
133	N	23.9	Very low	30.6	Very low	161 Å²	161	128.8 Å²	128.8	86%	0.861	75%	0.753	S	S	*	*			trans	59.8	106.4	150.6	-60.4	-18.9	0	0	0	123.3
134	G	28.8	Very low	30.9	Very low	77 Å²	77	130.8 Å²	130.8	79%	0.794	77%	0.771	S	S	*	*				73.4	176.9	128.9	0	0	0	0	0	120.5
135	P	43.2	Very low	31	Very low	129 Å²	129	129.9 Å²	129.9	84%	0.838	77%	0.765	S	S	*	*			cis	-121	-172.5	1.2	42.7	-29.8	0	0	0	115
136	D	32.8	Very low	31.1	Very low	167 Å²	167	131.3 Å²	131.3	89%	0.893	77%	0.771	S	S	*	*			trans	-68.7	172.1	178.9	-60.8	-87.7	0	0	0	116.5
137	G	34.6	Very low	30.9	Very low	64 Å²	64	135.6 Å²	135.6	66%	0.66	77%	0.772	S	S	*	*			trans	176.1	81.9	165.8	0	0	0	0	0	116.3
138	D	31	Very low	31.2	Very low	147 Å²	147	132.3 Å²	132.3	79%	0.786	76%	0.76	S	S	*	*			trans	58.9	150.5	137.7	-59.6	5.4	0	0	0	121.8
139	Y	31.6	Very low	31.5	Very low	185 Å²	185	135.5 Å²	135.5	73%	0.725	75%	0.753	S	S	*	*			cis	-168.2	151.6	-32.1	-126.4	-73.1	0	0	0	107.6
140	H	36.1	Very low	31.8	Very low	172 Å²	172	134.8 Å²	134.8	80%	0.796	75%	0.754	S	S	*	*			trans	58.9	133.4	172.3	-56.3	-75.3	0	0	0	117.8
141	G	28.2	Very low	31.7	Very low	69 Å²	69	137.8 Å²	137.8	71%	0.711	76%	0.758	S	S	*	*			cis	106.1	89.3	-4.1	0	0	0	0	0	114.1
142	D	35.7	Very low	31.9	Very low	170 Å²	170	137.1 Å²	137.1	91%	0.909	75%	0.748	S	S	*	*			trans	-153.7	154.5	162.4	-137.1	-30.3	0	0	0	113
143	R	34.3	Very low	32.4	Very low	188 Å²	188	139 Å²	139	71%	0.709	75%	0.754	S	S	*	*			trans	-162.1	122.2	-164.6	-177.8	-163.2	-177.3	-157.7	3.3	115.4	L145	R143-L145 HydrophobicContact CG-CG 4.3Å; R143-L145 WeakPolarHBondContact O-CD1 3.37Å; R143-L145 WeakPolarHBondContact O-CG 3.28Å
144	P	36.2	Very low	32.7	Very low	128 Å²	128	137 Å²	137	83%	0.831	74%	0.742	S	S	*	*			trans	-104.2	119.6	155.9	33.2	-23.9	0	0	0	110.3
145	L	31.2	Very low	32.8	Very low	123 Å²	123	139 Å²	139	64%	0.644	74%	0.735	S	S	*	*			cis	79.6	103	31.3	-62.8	178.3	0	0	0	116.8	R143	R143-L145 HydrophobicContact CG-CG 4.3Å; R143-L145 WeakPolarHBondContact O-CD1 3.37Å; R143-L145 WeakPolarHBondContact O-CG 3.28Å
146	S	30.2	Very low	32.5	Very low	103 Å²	103	140.2 Å²	140.2	72%	0.72	73%	0.73	S	S	*	*				-145	125.9	124.6	-123.7	0	0	0	0	107.4
147	R	27.1	Very low	32.3	Very low	187 Å²	187	137.4 Å²	137.4	71%	0.706	72%	0.723	S	S	*	*				68.6	129.8	91.2	-66.4	-161.5	80.7	120	22.2	112.9
148	D	32	Very low	32.2	Very low	110 Å²	110	143.4 Å²	143.4	59%	0.588	73%	0.727	S	S	*	*			cis	-148.5	166.4	1.8	-70.7	-55.2	0	0	0	105.9
149	H	32.8	Very low	32.4	Very low	147 Å²	147	144.7 Å²	144.7	68%	0.681	72%	0.721	S	S	*	*			cis	179.5	172.1	-19.2	-96.5	-49.3	0	0	0	105.9
150	L	33.4	Very low	32.1	Very low	159 Å²	159	141.2 Å²	141.2	83%	0.832	72%	0.715	S	S	*	*			trans	76.5	157	167.6	-50	-180	0	0	0	119.3
151	Y	30.9	Very low	31.7	Very low	198 Å²	198	137 Å²	137	78%	0.776	71%	0.705	S	S	*	*				-174.8	118.9	-54.9	-129.8	-105.7	0	0	0	110.2
152	L	30.8	Very low	31.6	Very low	120 Å²	120	139.1 Å²	139.1	63%	0.628	71%	0.708	S	S	*	*			trans	52.7	170	153.2	-59.7	-172.4	0	0	0	120.6	L154	L152-L154 HydrophobicContact CD1-CD1 4.15Å; L152-L154 HydrophobicContact CD2-CD1 3.7Å; L152-L154 HydrophobicContact CD2-CG 3.97Å; L152-L154 HydrophobicContact CG-CD1 4.46Å
153	P	36.3	Very low	31.4	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	70%	0.704	S	S	*	*			cis	-106.1	163.9	-7.6	41.9	-30.9	0	0	0	112.4
154	L	30.7	Very low	31.6	Very low	119 Å²	119	134.4 Å²	134.4	62%	0.623	70%	0.704	S	S	*	*				64.3	104.9	50.5	-55.4	171.7	0	0	0	111.6	L152	L152-L154 HydrophobicContact CD1-CD1 4.15Å; L152-L154 HydrophobicContact CD2-CD1 3.7Å; L152-L154 HydrophobicContact CD2-CG 3.97Å; L152-L154 HydrophobicContact CG-CD1 4.46Å
155	D	30.7	Very low	31.5	Very low	120 Å²	120	134.1 Å²	134.1	64%	0.642	70%	0.703	S	S	*	*				111.7	161.2	84	-99.5	-41.3	0	0	0	109.7
156	H	35.8	Very low	31.2	Very low	155 Å²	155	133.1 Å²	133.1	72%	0.718	71%	0.706	S	S	*	*			cis	-155.3	171.1	13.5	-126.7	2.6	0	0	0	110.7
157	S	28.6	Very low	31.3	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	71%	0.71	S	S	*	*			trans	81.2	150.5	155.7	86.5	0	0	0	0	119.1
158	Y	32.1	Very low	31.2	Very low	191 Å²	191	131.5 Å²	131.5	75%	0.749	72%	0.719	S	S	*	*			cis	-150.1	145.9	2.6	-155.9	-130.1	0	0	0	113.5
159	R	35.4	Very low	31	Very low	173 Å²	173	131.4 Å²	131.4	65%	0.653	73%	0.727	S	S	*	*			trans	36	130.1	153.1	-83.2	-164.6	-178.4	-91.6	2.1	123.3
160	D	25	Very low	30.7	Very low	112 Å²	112	129.7 Å²	129.7	60%	0.599	73%	0.731	S	S	*	*				63.9	162.8	126.2	-69.1	-41.8	0	0	0	122.4
161	S	28	Very low	30.3	Very low	85 Å²	85	129.5 Å²	129.5	59%	0.594	73%	0.73	S	S	*	*			cis	175.8	142.7	-35.9	-94	0	0	0	0	106.8
162	S	27.3	Very low	30	Very low	112 Å²	112	124.9 Å²	124.9	78%	0.783	73%	0.727	S	S	*	*			trans	63.8	154.8	169	79.4	0	0	0	0	115.6
163	L	30.7	Very low	29.8	Very low	157 Å²	157	123.2 Å²	123.2	82%	0.822	73%	0.725	S	S	*	*			cis	-153.9	163.3	-11.5	-119.4	163.9	0	0	0	107.5
164	S	39.6	Very low	29.5	Very low	102 Å²	102	128.3 Å²	128.3	71%	0.713	73%	0.73	S	S	*	*			trans	-68.3	155.7	169.8	53.5	0	0	0	0	111.9
165	P	32.6	Very low	29.3	Very low	122 Å²	122	127.3 Å²	127.3	79%	0.792	73%	0.732	S	S	*	*				-143.8	169.6	105.8	39.1	-26.2	0	0	0	116.8
166	S	25.2	Very low	29.2	Very low	103 Å²	103	131.7 Å²	131.7	72%	0.72	74%	0.74	S	S	*	*			trans	-45.2	159.3	175.8	-41.7	0	0	0	0	118
167	P	32.5	Very low	28.9	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	74%	0.742	S	S	*	*			trans	-72.9	134.4	160.9	31.9	-33.4	0	0	0	111.5
168	C	25.2	Very low	29	Very low	133 Å²	133	132.8 Å²	132.8	90%	0.899	74%	0.744	S	S	*	*			trans	-83.8	162.4	173.6	-85.4	0	0	0	0	113.1
169	S	26.8	Very low	28.7	Very low	108 Å²	108	131.6 Å²	131.6	76%	0.755	75%	0.751	S	S	*	*			trans	-110.7	-179.1	-166	-38.6	0	0	0	0	114.1
170	S	26.3	Very low	28.5	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	75%	0.752	S	S	*	*			trans	82.8	155.1	171.4	-35.9	0	0	0	0	114.2
171	L	25.6	Very low	28.9	Very low	156 Å²	156	127.6 Å²	127.6	82%	0.817	76%	0.763	S	S	*	*			cis	-130.5	150.5	17	-78.5	162.8	0	0	0	110.7
172	S	25.1	Very low	28.9	Very low	100 Å²	100	129.2 Å²	129.2	70%	0.699	77%	0.774	S	S	*	*				59.3	135.8	86.2	-134.4	0	0	0	0	114.1
173	S	26.5	Very low	29	Very low	85 Å²	85	129.4 Å²	129.4	59%	0.594	77%	0.774	S	S	*	*			cis	-168.4	160.1	13.2	-130.9	0	0	0	0	113.4
174	R	29.8	Very low	29.1	Very low	222 Å²	222	131.4 Å²	131.4	84%	0.838	78%	0.779	S	S	*	*			trans	66.6	141.7	152.1	-63.1	161.3	-172.9	-89.8	-1.9	117.2
175	S	27.1	Very low	28.8	Very low	97 Å²	97	131 Å²	131	68%	0.678	78%	0.776	S	S	*	*				58.7	132.5	59.3	-68.4	0	0	0	0	113.2
176	W	27.6	Very low	28.8	Very low	213 Å²	213	135.4 Å²	135.4	81%	0.807	78%	0.783	S	S	*	*			cis	-165.8	163	15.9	-117.7	-3.2	0	0	0	112.3
177	F	29.3	Very low	29.1	Very low	173 Å²	173	134.9 Å²	134.9	76%	0.759	78%	0.779	S	S	*	*			trans	64.2	164.3	157.2	-72.9	-62.1	0	0	0	122
178	S	31.4	Very low	29.5	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	78%	0.776	S	S	*	*			trans	-83.3	164.2	-163.8	-34	0	0	0	0	115
179	D	25.1	Very low	30.3	Very low	166 Å²	166	136.3 Å²	136.3	89%	0.888	77%	0.77	S	S	*	*			trans	-151.3	177.8	132.3	-146.3	-17.6	0	0	0	111.2
180	A	32.8	Very low	30.8	Very low	83 Å²	83	140.7 Å²	140.7	69%	0.686	77%	0.772	S	S	*	*			trans	-127.9	165.1	-179.9	0	0	0	0	0	113
181	S	31.6	Very low	31.4	Very low	118 Å²	118	140.8 Å²	140.8	83%	0.825	76%	0.764	S	S	*	*			trans	67.6	104.7	164.1	177.9	0	0	0	0	119.1
182	S	28.7	Very low	32.3	Very low	119 Å²	119	139.9 Å²	139.9	83%	0.832	76%	0.76	S	S	*	*				-150.5	161.3	128.6	62.5	0	0	0	0	110.9
183	C	30.1	Very low	33.4	Very low	115 Å²	115	140 Å²	140	78%	0.777	76%	0.756	S	S	*	*			trans	-95.5	154.3	-171.3	-50.2	0	0	0	0	112.4
184	E	31.9	Very low	34.2	Very low	200 Å²	200	141.4 Å²	141.4	94%	0.935	76%	0.757	S	S	*	*				-166.4	159.6	123	-108.9	173.4	168.3	0	0	112.1
185	S	33.2	Very low	34.9	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	74%	0.742	S	S	*	*			trans	-99.1	141.1	-164.3	-57.4	0	0	0	0	113.9
186	F	33	Very low	35.9	Very low	216 Å²	216	137.3 Å²	137.3	95%	0.947	75%	0.745	S	S	*	*			trans	-145.8	80.8	149.1	-86.5	-64.5	0	0	0	111.9
187	S	32.4	Very low	37	Very low	91 Å²	91	132.9 Å²	132.9	64%	0.636	74%	0.736	S	S	*	*			trans	-130	74.4	171.7	58.1	0	0	0	0	110.3
188	H	40.4	Very low	38	Very low	156 Å²	156	130.4 Å²	130.4	72%	0.722	73%	0.731	S	S	*	*			trans	-138.9	81.9	177.9	-84.3	-70.8	0	0	0	111.6
189	V	40.9	Very low	38.9	Very low	130 Å²	130	130.3 Å²	130.3	79%	0.788	72%	0.718	S	S	*	*	S	Bend	trans	-143.2	-0.6	163.7	-158.2	0	0	0	0	112
190	Y	38.8	Very low	39.9	Very low	201 Å²	201	125.2 Å²	125.2	79%	0.788	70%	0.699	S	S	*	*	S	Bend	trans	-132.6	4.8	-168.1	-91	-80.2	0	0	0	116.3
191	D	37.2	Very low	40.5	Very low	111 Å²	111	124.7 Å²	124.7	59%	0.594	70%	0.695	S	S	*	*	S	Bend	trans	-98.3	-31.2	175.9	-89	-72.7	0	0	0	114.1	V193 D194 S195	D191-V193 VanDerWaalsContact C-N 3.27Å; D191-V193 PolarHBondContact O-N 2.87Å; D191-D194 PolarHBondContact O-N 2.87Å; D191-S195 PolarHBondContact O-N 3.4Å; D191-S195 VanDerWaalsContact O-N 3.15Å
192	D	44.6	Very low	40.9	Very low	137 Å²	137	123 Å²	123	73%	0.733	69%	0.689	S	S	*	*	H	α-helix	trans	-60.5	-35	-174.3	-84.8	-27.3	0	0	0	113.1	D194 S195 E196	D192-D194 PolarHBondContact O-N 2.84Å; D192-S195 PolarHBondContact O-N 2.87Å; D192-E196 WeakPolarHBondContact O-CB 3.42Å; D192-E196 PolarHBondContact O-N 2.8Å
193	V	48.7	Very low	41.6	Very low	102 Å²	102	125.1 Å²	125.1	62%	0.618	68%	0.678	S	S	*	*	H	α-helix	trans	-73.7	-24.8	-175.4	-66.2	0	0	0	0	114.4	D191	D191-V193 VanDerWaalsContact C-N 3.27Å; D191-V193 PolarHBondContact O-N 2.87Å
194	D	44.5	Very low	41.9	Very low	116 Å²	116	128.6 Å²	128.6	62%	0.62	68%	0.681	S	S	*	*	H	α-helix	trans	-88.8	-34.5	173.2	-116.2	-70.6	0	0	0	110.7	D191 D192 L197 N198	D191-D194 PolarHBondContact O-N 2.87Å; D192-D194 PolarHBondContact O-N 2.84Å; D194-L197 PolarHBondContact O-N 3.24Å; D194-N198 WeakPolarHBondContact O-CB 3.48Å; D194-N198 PolarHBondContact O-N 3.18Å
195	S	44.3	Very low	41.9	Very low	76 Å²	76	124.4 Å²	124.4	53%	0.531	67%	0.673	S	S	.	*	H	α-helix	trans	-62.8	-48.5	176	-166.4	0	0	0	0	112.4	D191 D192 L197 N198 E199	D191-S195 PolarHBondContact O-N 3.4Å; D191-S195 VanDerWaalsContact O-N 3.15Å; D192-S195 PolarHBondContact O-N 2.87Å; S195-L197 VanDerWaalsContact C-N 3.32Å; S195-L197 PolarHBondContact O-N 2.87Å; S195-N198 PolarHBondContact O-N 3.42Å; S195-E199 PolarHBondContact O-N 3.4Å
196	E	48.3	Very low	41.9	Very low	156 Å²	156	128.2 Å²	128.2	73%	0.729	69%	0.685	S	S	*	*	H	α-helix	trans	-64.1	-36.2	179.2	-169.6	174.5	-145.6	0	0	111.9	D192 A200	D192-E196 WeakPolarHBondContact O-CB 3.42Å; D192-E196 PolarHBondContact O-N 2.8Å; E196-A200 PolarHBondContact O-N 3.17Å
197	L	50.3	Low	41.6	Very low	120 Å²	120	121.7 Å²	121.7	63%	0.628	68%	0.679	S	S	*	*	H	α-helix	trans	-69.9	-36.8	177.1	-169.5	63.9	0	0	0	112.2	D194 S195 A200 A201	D194-L197 PolarHBondContact O-N 3.24Å; S195-L197 VanDerWaalsContact C-N 3.32Å; S195-L197 PolarHBondContact O-N 2.87Å; L197-A200 PolarHBondContact O-N 3.46Å; L197-A201 PolarHBondContact O-N 3.26Å; L197-A201 VanDerWaalsContact O-N 3.16Å
198	N	49.6	Very low	41.4	Very low	121 Å²	121	122.7 Å²	122.7	65%	0.647	69%	0.686	S	S	*	*	H	α-helix	trans	-71.7	-37.2	177.1	-167.7	33.4	0	0	0	112.2	D194 S195 A200 A201 A202	D194-N198 WeakPolarHBondContact O-CB 3.48Å; D194-N198 PolarHBondContact O-N 3.18Å; S195-N198 PolarHBondContact O-N 3.42Å; N198-A200 VanDerWaalsContact C-N 3.3Å; N198-A200 PolarHBondContact O-N 3.09Å; N198-A201 PolarHBondContact O-N 3.11Å; N198-A202 PolarHBondContact O-N 3.25Å; N198-A202 VanDerWaalsContact O-N 3.17Å
199	E	50.5	Low	41.4	Very low	110 Å²	110	120.8 Å²	120.8	51%	0.514	69%	0.688	S	S	.	*	H	α-helix	trans	-69.6	-27.4	175.1	-146.7	-157.1	114.2	0	0	112.8	S195 R203	S195-E199 PolarHBondContact O-N 3.4Å; E199-R203 PolarHBondContact O-NH1 3.39Å; E199-R203 IonicContact OE1-CZ 3.31Å; E199-R203 IonicContact OE1-NH1 3.14Å; E199-R203 PolarHBondContact OE1-NH1 3.21Å; E199-R203 IonicContact OE1-NH2 2.7Å; E199-R203 PolarHBondContact OE1-NH2 3.02Å
200	A	46.1	Very low	40.9	Very low	59 Å²	59	121.9 Å²	121.9	49%	0.488	69%	0.688	S	S	.	*	H	α-helix	trans	-70	-39.7	170.3	0	0	0	0	0	112.2	E196 L197 N198 A202	E196-A200 PolarHBondContact O-N 3.17Å; L197-A200 PolarHBondContact O-N 3.46Å; N198-A200 VanDerWaalsContact C-N 3.3Å; N198-A200 PolarHBondContact O-N 3.09Å; A200-A202 VanDerWaalsContact C-N 3.33Å; A200-A202 PolarHBondContact O-N 2.91Å
201	A	44.5	Very low	40.3	Very low	73 Å²	73	118.6 Å²	118.6	60%	0.603	69%	0.69	S	S	*	*	H	α-helix	trans	-67.3	-30.6	178.4	0	0	0	0	0	113.3	L197 N198 R203	L197-A201 PolarHBondContact O-N 3.26Å; L197-A201 VanDerWaalsContact O-N 3.16Å; N198-A201 PolarHBondContact O-N 3.11Å; A201-R203 PolarHBondContact O-N 2.93Å; A201-R203 VanDerWaalsContact O-N 3.09Å
202	A	41.3	Very low	40	Very low	83 Å²	83	119 Å²	119	69%	0.686	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-3.5	-175.4	0	0	0	0	0	115.9	N198 A200	N198-A202 PolarHBondContact O-N 3.25Å; N198-A202 VanDerWaalsContact O-N 3.17Å; A200-A202 VanDerWaalsContact C-N 3.33Å; A200-A202 PolarHBondContact O-N 2.91Å
203	R	44.1	Very low	39.7	Very low	162 Å²	162	118 Å²	118	61%	0.611	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	6.5	-169.2	-69.2	-170.7	171.6	94.4	-6.8	116.9	E199 A201	E199-R203 PolarHBondContact O-NH1 3.39Å; E199-R203 IonicContact OE1-CZ 3.31Å; E199-R203 IonicContact OE1-NH1 3.14Å; E199-R203 PolarHBondContact OE1-NH1 3.21Å; E199-R203 IonicContact OE1-NH2 2.7Å; E199-R203 PolarHBondContact OE1-NH2 3.02Å; A201-R203 PolarHBondContact O-N 2.93Å; A201-R203 VanDerWaalsContact O-N 3.09Å
204	F	35.9	Very low	38.7	Very low	189 Å²	189	119.5 Å²	119.5	83%	0.829	71%	0.711	S	S	*	*			trans	-130.5	69.1	-173	-82.7	-79	0	0	0	116.7
205	S	30.5	Very low	38.1	Very low	111 Å²	111	119.6 Å²	119.6	78%	0.776	72%	0.72	S	S	*	*			trans	174.5	145.8	149.4	-84.3	0	0	0	0	110
206	L	33.6	Very low	37.2	Very low	172 Å²	172	122.7 Å²	122.7	90%	0.901	74%	0.735	S	S	*	*			cis	-160.5	134.7	-11.9	-122.3	170.6	0	0	0	106.7
207	G	27.3	Very low	36.5	Very low	80 Å²	80	120.3 Å²	120.3	83%	0.825	74%	0.735	S	S	*	*			trans	174.8	122.2	177	0	0	0	0	0	115
208	S	28.8	Very low	35.9	Very low	112 Å²	112	120.8 Å²	120.8	78%	0.783	75%	0.745	S	S	*	*			trans	-115.6	153	171.3	-155.5	0	0	0	0	108.6
209	P	39.3	Very low	34.9	Very low	115 Å²	115	124.4 Å²	124.4	75%	0.747	76%	0.758	S	S	*	*				-141	157.8	82.6	37.3	-22	0	0	0	116.3
210	L	30	Very low	33.8	Very low	153 Å²	153	123.3 Å²	123.3	80%	0.801	77%	0.769	S	S	*	*			trans	4.6	130.2	144.8	-53.7	168.7	0	0	0	116.4
211	T	26.2	Very low	32.9	Very low	133 Å²	133	127.8 Å²	127.8	82%	0.816	79%	0.79	S	S	*	*				-160	150.7	70	44.5	0	0	0	0	114.1
212	S	31.8	Very low	32	Very low	118 Å²	118	127.8 Å²	127.8	83%	0.825	80%	0.796	S	S	*	*			trans	-104.4	155.4	160.1	-51.9	0	0	0	0	110.6
213	P	38.3	Very low	31.4	Very low	118 Å²	118	127.3 Å²	127.3	77%	0.766	80%	0.8	S	S	*	*				-145.5	165.9	110.5	39.1	-25.9	0	0	0	112.3
214	V	26.5	Very low	30.7	Very low	133 Å²	133	126.3 Å²	126.3	81%	0.806	81%	0.811	S	S	*	*			cis	-176.4	151.4	-10	139	0	0	0	0	103.7
215	C	32.3	Very low	30.4	Very low	118 Å²	118	123.8 Å²	123.8	80%	0.797	81%	0.806	S	S	*	*			trans	-86.9	155.4	-179.3	-46.5	0	0	0	0	113.1
216	V	27.1	Very low	30.3	Very low	141 Å²	141	126 Å²	126	86%	0.855	80%	0.804	S	S	*	*			trans	-138.3	130.9	152.4	-175.2	0	0	0	0	110.1
217	S	32.7	Very low	30	Very low	105 Å²	105	124.6 Å²	124.6	73%	0.734	79%	0.793	S	S	*	*			trans	-131.6	146	165.4	-53.5	0	0	0	0	109
218	P	36.7	Very low	30	Very low	130 Å²	130	128.2 Å²	128.2	84%	0.844	79%	0.788	S	S	*	*			trans	-87.1	147.5	161.7	-7.7	26.8	0	0	0	111.4
219	Q	28.9	Very low	29.9	Very low	197 Å²	197	127.8 Å²	127.8	92%	0.921	79%	0.785	S	S	*	*			trans	-104.2	150.8	175.9	-61.8	173.7	-62.7	0	0	112.5
220	A	27.3	Very low	30	Very low	88 Å²	88	126.9 Å²	126.9	73%	0.727	78%	0.779	S	S	*	*			trans	-154.3	127.9	146.6	0	0	0	0	0	106.2
221	V	27.6	Very low	29.9	Very low	153 Å²	153	130.4 Å²	130.4	93%	0.927	78%	0.782	S	S	*	*				56.3	126.4	75.7	-177.3	0	0	0	0	111.6
222	G	26.6	Very low	29.9	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	78%	0.778	S	S	*	*			cis	163.4	169.2	-0.8	0	0	0	0	0	111.1
223	G	28.3	Very low	29.8	Very low	74 Å²	74	132.4 Å²	132.4	76%	0.763	77%	0.769	S	S	*	*			trans	88.4	145.4	-178	0	0	0	0	0	113.7
224	V	28.8	Very low	29.4	Very low	140 Å²	140	134.6 Å²	134.6	85%	0.848	77%	0.768	S	S	*	*			cis	93.9	104.3	13.8	-174.2	0	0	0	0	116.1
225	L	30	Very low	29.4	Very low	137 Å²	137	136.9 Å²	136.9	72%	0.717	77%	0.77	S	S	*	*			trans	76.9	131	143.6	-162.3	67.3	0	0	0	120.9
226	E	28.4	Very low	30.1	Very low	157 Å²	157	137 Å²	137	73%	0.734	77%	0.769	S	S	*	*			trans	59.2	162.6	153.5	-80.1	167.1	163.9	0	0	119.3
227	E	27.3	Very low	30.8	Very low	143 Å²	143	135.3 Å²	135.3	67%	0.668	76%	0.761	S	S	*	*			cis	-154.4	175.5	-18	-145.9	-169.2	133.7	0	0	109.6
228	Q	26.7	Very low	30.6	Very low	155 Å²	155	139.3 Å²	139.3	72%	0.724	77%	0.766	S	S	*	*			trans	57.6	118.3	153.3	-85.9	173.2	57.6	0	0	122.4
229	S	27	Very low	30.3	Very low	104 Å²	104	138.6 Å²	138.6	73%	0.727	76%	0.758	S	S	*	*			trans	-72.3	172.3	139.3	58.5	0	0	0	0	110.8
230	P	41.2	Very low	30.3	Very low	95 Å²	95	136.6 Å²	136.6	62%	0.617	75%	0.749	S	S	*	*			cis	-141.9	-165.5	22.8	44	-24.2	0	0	0	114.9
231	W	27.2	Very low	30.3	Very low	228 Å²	228	139.6 Å²	139.6	86%	0.864	75%	0.747	S	S	*	*				-173.8	165.2	122.2	-91.4	111.4	0	0	0	110.3
232	Q	26.5	Very low	30.3	Very low	156 Å²	156	137.9 Å²	137.9	73%	0.729	74%	0.737	S	S	*	*			trans	-108.8	166.8	-176.5	-64.8	168.3	-34.3	0	0	111.2
233	H	29.8	Very low	30.4	Very low	136 Å²	136	142.3 Å²	142.3	63%	0.63	74%	0.739	S	S	*	*				155.9	130.6	124	-87.6	-80.3	0	0	0	115.8
234	H	30.4	Very low	30.5	Very low	164 Å²	164	143.4 Å²	143.4	76%	0.759	73%	0.734	S	S	*	*			trans	67.1	149	151.8	-57.9	-52.4	0	0	0	123.5
235	H	27.1	Very low	30.6	Very low	182 Å²	182	143.3 Å²	143.3	84%	0.843	73%	0.734	S	S	*	*			trans	-118.8	-171.9	168.5	-41	-100.7	0	0	0	108.3
236	P	46.3	Very low	30.5	Very low	120 Å²	120	145.2 Å²	145.2	78%	0.779	75%	0.745	S	S	*	*			cis	-111.9	-153.1	-35	38.6	-20.6	0	0	0	108.2
237	P	41.1	Very low	31	Very low	106 Å²	106	143.3 Å²	143.3	69%	0.688	75%	0.749	S	S	*	*			cis	-139.3	162.8	1.6	41.7	-21.7	0	0	0	119.9
238	F	30.2	Very low	31.6	Very low	189 Å²	189	142.8 Å²	142.8	83%	0.829	76%	0.757	S	S	*	*			trans	60.6	107.8	146.6	-89.4	-111.7	0	0	0	122.6
239	V	29.5	Very low	32.1	Very low	114 Å²	114	145.9 Å²	145.9	69%	0.691	76%	0.762	S	S	*	*			trans	55.8	144.8	147.9	-86.5	0	0	0	0	120.2
240	H	28.9	Very low	32.2	Very low	155 Å²	155	149.4 Å²	149.4	72%	0.718	77%	0.767	S	S	*	*			cis	-155.2	163.7	22	-137.9	-58.5	0	0	0	113
241	H	27.4	Very low	31.9	Very low	151 Å²	151	150.2 Å²	150.2	70%	0.699	78%	0.775	S	S	*	*			trans	93.8	122	161.9	-69	39.9	0	0	0	119.9
242	T	28.1	Very low	32.5	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	78%	0.775	S	S	*	*			trans	57.9	132.8	149.7	53.3	0	0	0	0	119.8
243	H	28.5	Very low	32.8	Very low	166 Å²	166	143.1 Å²	143.1	77%	0.769	77%	0.774	S	S	*	*			cis	-148.1	147.9	21.3	-106.5	-69.7	0	0	0	114.2
244	S	29.6	Very low	32.7	Very low	96 Å²	96	145.6 Å²	145.6	67%	0.671	79%	0.785	S	S	*	*			trans	74.4	138.9	139.8	-59.2	0	0	0	0	124.1
245	T	31.9	Very low	32.9	Very low	138 Å²	138	143 Å²	143	85%	0.847	79%	0.785	S	S	*	*			trans	66	105	155.8	47.9	0	0	0	0	120.9
246	L	27.9	Very low	33.9	Very low	178 Å²	178	140 Å²	140	93%	0.932	78%	0.782	S	S	*	*			trans	-133.7	154	155.8	-78.9	173.4	0	0	0	109.7
247	S	38.9	Very low	33.1	Very low	117 Å²	117	145.5 Å²	145.5	82%	0.818	79%	0.787	S	S	*	*			trans	-105.3	160.4	168.9	-46	0	0	0	0	111
248	P	39.1	Very low	32.7	Very low	131 Å²	131	147 Å²	147	85%	0.851	79%	0.79	S	S	*	*			trans	-135.6	-177.2	142.1	35.1	-20.6	0	0	0	113.6
249	R	36.8	Very low	32.8	Very low	220 Å²	220	142.3 Å²	142.3	83%	0.83	78%	0.78	S	S	*	*			trans	-120.1	156.1	-170.4	-72.2	174.1	165	-108.8	0.5	113.3
250	Q	29.1	Very low	32.6	Very low	178 Å²	178	143 Å²	143	83%	0.832	79%	0.785	S	S	*	*			trans	75.2	156	152.5	-76.4	168.5	-70.7	0	0	120.8
251	S	36.3	Very low	32.7	Very low	112 Å²	112	141.3 Å²	141.3	78%	0.783	79%	0.785	S	S	*	*			trans	-92.1	175	-167.1	-32	0	0	0	0	113.6
252	P	39.9	Very low	33	Very low	131 Å²	131	141 Å²	141	85%	0.851	79%	0.788	S	S	*	*				-148.8	-156.4	80.8	39	-17.5	0	0	0	115.8
253	C	31.9	Very low	33.2	Very low	105 Å²	105	143.4 Å²	143.4	71%	0.709	79%	0.791	S	S	*	*			trans	-110.5	155.3	-154.8	-46.3	0	0	0	0	116.7
254	H	27.1	Very low	33.1	Very low	188 Å²	188	142.2 Å²	142.2	87%	0.87	79%	0.791	S	S	*	*				153.2	160.6	127.9	-89.2	-75.3	0	0	0	116
255	S	34.4	Very low	33.3	Very low	108 Å²	108	149 Å²	149	76%	0.755	80%	0.802	S	S	*	*			trans	-86	-177	-171.1	-38.2	0	0	0	0	114.9
256	P	49.1	Very low	33.1	Very low	121 Å²	121	149.5 Å²	149.5	79%	0.786	80%	0.799	S	S	*	*				-154.6	-176.1	106	41.1	-24.2	0	0	0	117.4
257	R	29.6	Very low	33.1	Very low	234 Å²	234	145.9 Å²	145.9	88%	0.883	79%	0.788	S	S	*	*			trans	98.8	132.3	153.5	-150.7	173.5	-167.6	143.6	6.3	117.5
258	N	32	Very low	32.8	Very low	139 Å²	139	145 Å²	145	74%	0.743	78%	0.78	S	S	*	*			cis	178.5	170.9	-30.4	-110.2	50.5	0	0	0	106.3
259	S	32.6	Very low	32.2	Very low	89 Å²	89	150.1 Å²	150.1	62%	0.622	78%	0.782	S	S	*	*			cis	-174.4	-153.7	-23.1	52.9	0	0	0	0	107.4
260	V	25.9	Very low	31.7	Very low	130 Å²	130	144.7 Å²	144.7	79%	0.788	78%	0.778	S	S	*	*			trans	77.2	120.5	-179.4	-178.1	0	0	0	0	113.2
261	T	30.1	Very low	32.1	Very low	118 Å²	118	141.8 Å²	141.8	72%	0.724	77%	0.774	S	S	*	*			cis	-149.3	166.2	-7.5	9.6	0	0	0	0	110
262	D	33.7	Very low	31.8	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	78%	0.779	S	S	*	*			trans	-146.4	123.2	174	179.5	-23.3	0	0	0	108.7
263	E	32.2	Very low	31.7	Very low	168 Å²	168	147.5 Å²	147.5	79%	0.785	78%	0.781	S	S	*	*			trans	-167.8	115	161.1	39.5	-141.7	120.9	0	0	114.5
264	N	26.9	Very low	32	Very low	141 Å²	141	147.8 Å²	147.8	75%	0.754	78%	0.782	S	S	*	*				146.8	132.6	120.6	-168.7	23.2	0	0	0	114.1
265	W	32.9	Very low	32	Very low	239 Å²	239	143.4 Å²	143.4	91%	0.905	77%	0.772	S	S	*	*			trans	-127.7	121.7	178	-86.4	96.8	0	0	0	111.5
266	L	28.2	Very low	31.7	Very low	149 Å²	149	143 Å²	143	78%	0.78	77%	0.77	S	S	*	*			trans	-147.8	103.1	161.4	-80.3	-175.3	0	0	0	114.6
267	S	27.4	Very low	31.2	Very low	102 Å²	102	148.4 Å²	148.4	71%	0.713	77%	0.774	S	S	*	*			trans	72	-179.7	143	-46.4	0	0	0	0	117.5
268	P	34	Very low	31.6	Very low	99 Å²	99	143.4 Å²	143.4	64%	0.643	77%	0.772	S	S	*	*				-139.7	168	-89.9	41.7	-23.8	0	0	0	117.8
269	R	27	Very low	31.4	Very low	237 Å²	237	142.8 Å²	142.8	89%	0.894	77%	0.774	S	S	*	*			trans	78.6	152.3	161.1	-75.6	-179.1	-79.7	-135.6	-3	119.6
270	S	25.8	Very low	31.3	Very low	107 Å²	107	143.9 Å²	143.9	75%	0.748	78%	0.782	S	S	*	*			trans	-83.6	-179.8	171.7	54.9	0	0	0	0	111.2
271	P	37.7	Very low	31.7	Very low	116 Å²	116	143.8 Å²	143.8	75%	0.753	78%	0.783	S	S	*	*			cis	-136.1	167.5	5.7	42.3	-26.4	0	0	0	116.8
272	S	29.6	Very low	31.7	Very low	126 Å²	126	144.5 Å²	144.5	88%	0.881	79%	0.792	S	S	*	*			trans	-175.3	144.7	141.6	28	0	0	0	0	114.4
273	R	36.5	Very low	31.7	Very low	237 Å²	237	141.2 Å²	141.2	89%	0.894	79%	0.792	S	S	*	*			trans	-98.4	173.7	157.4	-112.6	-176.9	162.2	-139.4	2.3	107.4
274	P	39	Very low	31.5	Very low	112 Å²	112	142.6 Å²	142.6	73%	0.727	80%	0.795	S	S	*	*			cis	-122	-155.3	10.6	35.5	-12.6	0	0	0	110.9
275	S	27.4	Very low	31.8	Very low	96 Å²	96	145.8 Å²	145.8	67%	0.671	80%	0.796	S	S	*	*			cis	-162.1	163.9	12.7	-163.3	0	0	0	0	114.5
276	S	28.5	Very low	31.9	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	77%	0.77	S	S	*	*			trans	41.5	125	144.1	56.1	0	0	0	0	122.7
277	R	38.2	Very low	32	Very low	233 Å²	233	136.6 Å²	136.6	88%	0.879	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-56.1	154.8	148	-54.3	173.7	177.8	-173.1	-1.9	111.4
278	P	37.6	Very low	32.3	Very low	129 Å²	129	135.2 Å²	135.2	84%	0.838	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-96.4	135.7	147.6	-7.8	26.9	0	0	0	111.6
279	T	27.6	Very low	32.1	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-87.5	155	166.2	44.3	0	0	0	0	111.2
280	S	30	Very low	32.2	Very low	113 Å²	113	127.4 Å²	127.4	79%	0.79	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-67.9	138.9	168	40.9	0	0	0	0	111.8
281	P	36.3	Very low	32.3	Very low	127 Å²	127	128.4 Å²	128.4	83%	0.825	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-90.9	160.9	-180	35.6	-35.4	0	0	0	113.3
282	C	28.7	Very low	32.1	Very low	134 Å²	134	129.2 Å²	129.2	91%	0.905	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-101.3	128.2	-177.6	-71.5	0	0	0	0	114.4
283	G	33.6	Very low	32.1	Very low	74 Å²	74	129.2 Å²	129.2	76%	0.763	73%	0.728	S	S	*	*				77	132.4	126.8	0	0	0	0	0	122
284	K	28.4	Very low	31.8	Very low	197 Å²	197	127.8 Å²	127.8	86%	0.857	72%	0.724	S	S	*	*			trans	-161.8	131.9	143.1	-103.1	169.3	-175.8	179.1	0	107.2
285	R	32.9	Very low	32.8	Very low	208 Å²	208	128.1 Å²	128.1	79%	0.785	73%	0.726	S	S	*	*				56.3	134.5	90.4	-74.7	-168.6	172.6	-146	2.9	113.9
286	R	35.2	Very low	33	Very low	93 Å²	93	126.9 Å²	126.9	35%	0.351	73%	0.728	S	S	.	*			cis	-143.7	-134.5	-4.3	-143	-162.6	-158.1	167.8	2.7	108	E122	E122-R286 VanDerWaalsContact N-NH2 3.15Å
287	H	31.4	Very low	33.4	Very low	103 Å²	103	127.5 Å²	127.5	48%	0.477	73%	0.733	S	S	.	*			cis	-158.2	144.5	-0.1	-142.6	-71.9	0	0	0	109.2	Q121	Q121-H287 VanDerWaalsContact CD-CE1 3.5Å; Q121-H287 PolarHBondContact NE2-CE1 2.84Å; Q121-H287 PolarHBondContact NE2-ND1 3.2Å; Q121-H287 PolarHBondContact OE1-ND1 2.98Å
288	S	33.2	Very low	32.9	Very low	72 Å²	72	124.6 Å²	124.6	50%	0.503	73%	0.734	S	S	.	*			trans	60	160.9	150.6	-80.6	0	0	0	0	124.3	Q121	Q121-S288 PolarHBondContact NE2-OG 3Å; Q121-S288 PolarHBondContact OE1-OG 2.79Å
289	S	28.7	Very low	32.8	Very low	77 Å²	77	123.2 Å²	123.2	54%	0.538	73%	0.728	S	S	.	*			cis	161.4	128	-46.8	53.2	0	0	0	0	110.6
290	A	28.8	Very low	34	Very low	96 Å²	96	121.9 Å²	121.9	79%	0.793	72%	0.721	S	S	*	*			trans	-173.9	63.6	157.7	0	0	0	0	0	113.7
291	D	29.7	Very low	34	Very low	127 Å²	127	123.7 Å²	123.7	68%	0.679	72%	0.717	S	S	*	*				46.2	135.6	117.2	-66.7	-74.7	0	0	0	126.4
292	I	33.4	Very low	33.6	Very low	133 Å²	133	125.7 Å²	125.7	68%	0.682	72%	0.715	S	S	*	*			trans	78.1	111.1	133.5	-67.2	166.8	0	0	0	120.7	Y294	I292-Y294 HydrophobicContact CG2-CD2 4.3Å
293	C	28.5	Very low	33.9	Very low	127 Å²	127	124.3 Å²	124.3	86%	0.858	71%	0.706	S	S	*	*			trans	-171.7	173.5	130.2	-94.9	0	0	0	0	111
294	Y	31.2	Very low	34.2	Very low	206 Å²	206	126.5 Å²	126.5	81%	0.808	71%	0.707	S	S	*	*				-145.3	140.6	-96.2	-140.6	-81	0	0	0	112.1	I292	I292-Y294 HydrophobicContact CG2-CD2 4.3Å
295	P	59.1	Low	34.9	Very low	119 Å²	119	123.1 Å²	123.1	77%	0.773	70%	0.703	S	S	*	*			trans	-110	169.1	-178.5	40.2	-35	0	0	0	115.7
296	G	30.8	Very low	35.3	Very low	70 Å²	70	119.1 Å²	119.1	72%	0.722	70%	0.704	S	S	*	*			trans	-173.7	135.1	163.5	0	0	0	0	0	110.2
297	S	37.7	Very low	35.5	Very low	114 Å²	114	120.7 Å²	120.7	80%	0.797	72%	0.724	S	S	*	*			cis	92.3	126.9	32.1	-171.3	0	0	0	0	113.8
298	L	28.5	Very low	36	Very low	171 Å²	171	121.9 Å²	121.9	90%	0.895	74%	0.741	S	S	*	*				-176.9	145.6	125.1	-95.9	171.4	0	0	0	112.6
299	S	35.5	Very low	35.8	Very low	101 Å²	101	121.3 Å²	121.3	71%	0.706	75%	0.747	S	S	*	*			trans	-108.2	-179.3	155.2	-139.3	0	0	0	0	106.4
300	P	53	Low	35.7	Very low	97 Å²	97	127.1 Å²	127.1	63%	0.63	77%	0.765	S	S	*	*			cis	-160	-173	39.2	44.5	-20.8	0	0	0	119.7
301	H	29.8	Very low	35.9	Very low	151 Å²	151	127.8 Å²	127.8	70%	0.699	76%	0.764	S	S	*	*			trans	85.9	126	135.4	-80.8	-42.2	0	0	0	126
302	H	27.1	Very low	36.7	Very low	169 Å²	169	127.4 Å²	127.4	78%	0.782	77%	0.768	S	S	*	*			trans	91.9	152.3	141	-67.5	-49.1	0	0	0	122.6
303	S	36.1	Very low	36.6	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	78%	0.778	S	S	*	*			trans	-123.2	-175.2	-165.7	59.7	0	0	0	0	109
304	P	40.2	Very low	36.7	Very low	120 Å²	120	129.7 Å²	129.7	78%	0.779	77%	0.772	S	S	*	*			cis	-140.5	-170.6	18.8	43.4	-22	0	0	0	117.4
305	T	42.9	Very low	36.6	Very low	127 Å²	127	124.5 Å²	124.5	78%	0.779	77%	0.766	S	S	*	*			trans	-68.2	156.3	177.7	8	0	0	0	0	114.3
306	P	39.5	Very low	35.2	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	77%	0.765	S	S	*	*				-144.8	178.7	75	39.2	-20.6	0	0	0	117.1
307	T	40	Very low	35.3	Very low	125 Å²	125	127.6 Å²	127.6	77%	0.767	77%	0.768	S	S	*	*			trans	-83.6	158.5	176.4	53.3	0	0	0	0	111.8
308	P	42.5	Very low	35	Very low	129 Å²	129	129.8 Å²	129.8	84%	0.838	77%	0.766	S	S	*	*				-153.1	164.5	83.1	40.2	-21.5	0	0	0	117.6
309	G	28.5	Very low	35.3	Very low	60 Å²	60	128.5 Å²	128.5	62%	0.619	76%	0.76	S	S	*	*			trans	115	113.1	135	0	0	0	0	0	121
310	H	27.6	Very low	35.4	Very low	199 Å²	199	128.8 Å²	128.8	92%	0.921	76%	0.758	S	S	*	*			trans	63.1	130.7	139.2	-58.7	-74.6	0	0	0	123.4
311	S	33.4	Very low	34.3	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	77%	0.77	S	S	*	*			trans	-109.9	160.5	159	41.8	0	0	0	0	111.8
312	P	45.5	Very low	34.3	Very low	120 Å²	120	133 Å²	133	78%	0.779	78%	0.777	S	S	*	*			trans	-95.8	128.9	148.5	33.2	-25.9	0	0	0	108.9
313	R	32.3	Very low	34.2	Very low	237 Å²	237	128.8 Å²	128.8	89%	0.894	78%	0.779	S	S	*	*			cis	69.9	117.2	49.4	-161.6	-177.3	-166.5	-168.5	5	111.4
314	G	28.8	Very low	33.7	Very low	70 Å²	70	129.3 Å²	129.3	72%	0.722	78%	0.783	S	S	*	*			cis	-172.1	-150.4	2.4	0	0	0	0	0	109.7
315	S	30.8	Very low	33.9	Very low	98 Å²	98	128.6 Å²	128.6	69%	0.685	78%	0.778	S	S	*	*			cis	173.4	124.8	-29	47	0	0	0	0	110.7
316	V	29.2	Very low	33.1	Very low	124 Å²	124	128.2 Å²	128.2	75%	0.752	78%	0.776	S	S	*	*			trans	63.4	119.1	151.9	-174.5	0	0	0	0	120.3
317	T	32.3	Very low	32.6	Very low	129 Å²	129	131.4 Å²	131.4	79%	0.791	78%	0.783	S	S	*	*				174.9	125.4	121.5	38.6	0	0	0	0	106.6
318	E	31	Very low	32	Very low	160 Å²	160	128.8 Å²	128.8	75%	0.748	78%	0.781	S	S	*	*			cis	93.4	90.6	48.6	-164.9	167.1	171	0	0	113.3
319	D	34.7	Very low	31.4	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	78%	0.782	S	S	*	*			trans	46.4	133.6	137.9	-64.1	-100.1	0	0	0	125.2
320	T	37.7	Very low	31.6	Very low	106 Å²	106	133.1 Å²	133.1	65%	0.65	79%	0.787	S	S	*	*			trans	97.1	141.2	139.8	3.4	0	0	0	0	123.7
321	W	31.4	Very low	32.2	Very low	234 Å²	234	128.4 Å²	128.4	89%	0.886	77%	0.774	S	S	*	*			trans	98	126.8	147	-67.8	122.4	0	0	0	123.1
322	A	28.5	Very low	31.9	Very low	103 Å²	103	132.5 Å²	132.5	85%	0.851	78%	0.778	S	S	*	*			trans	76.4	144.9	149.5	0	0	0	0	0	120.2
323	G	25.3	Very low	30.9	Very low	80 Å²	80	135.5 Å²	135.5	83%	0.825	78%	0.782	S	S	*	*			trans	124.7	51.3	156.5	0	0	0	0	0	119.4
324	S	26.3	Very low	30.4	Very low	116 Å²	116	129.8 Å²	129.8	81%	0.811	78%	0.777	S	S	*	*			trans	-85.7	155.3	143.9	-146.2	0	0	0	0	107.3
325	P	43.1	Very low	30.9	Very low	105 Å²	105	132.2 Å²	132.2	68%	0.682	78%	0.781	S	S	*	*			cis	-143.8	-178.9	23.1	45.2	-26.2	0	0	0	117.7
326	T	27	Very low	31.2	Very low	120 Å²	120	133 Å²	133	74%	0.736	78%	0.784	S	S	*	*			trans	8.7	129.3	149.5	59.7	0	0	0	0	120.4
327	M	29.5	Very low	31.2	Very low	191 Å²	191	131.5 Å²	131.5	94%	0.941	78%	0.779	S	S	*	*				173.5	167.9	112.5	-95.2	172.5	66.9	0	0	110.7
328	G	26.7	Very low	30.9	Very low	70 Å²	70	134.1 Å²	134.1	72%	0.722	78%	0.783	S	S	*	*			trans	114	74	156.8	0	0	0	0	0	118.5
329	M	29.6	Very low	30.8	Very low	177 Å²	177	132.5 Å²	132.5	87%	0.872	78%	0.784	S	S	*	*			trans	31.6	121.6	132.1	-55.7	-91.4	65.6	0	0	121.1
330	S	32.5	Very low	30.6	Very low	102 Å²	102	131.3 Å²	131.3	71%	0.713	78%	0.778	S	S	*	*			trans	-25	149.4	135.1	-151.7	0	0	0	0	113.8
331	P	41.4	Very low	30.9	Very low	101 Å²	101	133.7 Å²	133.7	66%	0.656	79%	0.785	S	S	*	*			cis	-154.5	175.2	46.8	44	-22.7	0	0	0	120.5
332	F	26.6	Very low	31.3	Very low	194 Å²	194	127.2 Å²	127.2	85%	0.851	77%	0.773	S	S	*	*			trans	32	127.6	157.4	-57.4	-61.1	0	0	0	121
333	Q	25.1	Very low	31.6	Very low	183 Å²	183	127.1 Å²	127.1	86%	0.855	77%	0.766	S	S	*	*				151.2	123.6	99.7	-170.9	158.4	-3.3	0	0	114.5
334	C	21.5	Very low	31.9	Very low	117 Å²	117	133.1 Å²	133.1	79%	0.791	77%	0.769	S	S	*	*			trans	49.2	144	155.6	-136.7	0	0	0	0	122.6
335	C	39.7	Very low	32.3	Very low	121 Å²	121	133.2 Å²	133.2	82%	0.818	77%	0.765	S	S	*	*			trans	-79.7	143.3	173.9	-50.8	0	0	0	0	112.5
336	P	36.4	Very low	32	Very low	114 Å²	114	139 Å²	139	74%	0.74	77%	0.773	S	S	*	*				-138.9	174.9	127.6	15.3	7.1	0	0	0	112.2
337	S	28.2	Very low	32.6	Very low	93 Å²	93	140 Å²	140	65%	0.65	77%	0.767	S	S	*	*			cis	174.8	133.9	-40.4	54.6	0	0	0	0	108.2
338	E	26.8	Very low	32.8	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	76%	0.762	S	S	*	*			trans	63.7	171.1	169.4	-49.4	-172.4	122.6	0	0	115.4
339	T	28.3	Very low	33.2	Very low	126 Å²	126	137.3 Å²	137.3	77%	0.773	75%	0.75	S	S	*	*			cis	-141.2	174.2	6.8	-8.3	0	0	0	0	107.9
340	D	30.8	Very low	33.2	Very low	121 Å²	121	137.2 Å²	137.2	65%	0.647	75%	0.748	S	S	*	*			cis	-153.4	164.3	0	-177.9	24.3	0	0	0	108.7	P342	D340-P342 WeakPolarHBondContact OD2-CD 3.37Å
341	I	43.3	Very low	33.3	Very low	156 Å²	156	138.7 Å²	138.7	80%	0.8	75%	0.748	S	S	*	*			trans	-142.6	115.1	165.8	-57.2	177.5	0	0	0	110.7
342	P	40.8	Very low	32.7	Very low	98 Å²	98	145.1 Å²	145.1	64%	0.636	76%	0.759	S	S	*	*			trans	-145.6	167.1	148.8	27.6	-6.6	0	0	0	114.9	D340	D340-P342 WeakPolarHBondContact OD2-CD 3.37Å
343	S	34.9	Very low	32.9	Very low	100 Å²	100	141.3 Å²	141.3	70%	0.699	75%	0.752	S	S	*	*			cis	176.1	135.1	-31.5	-103.3	0	0	0	0	109.1
344	K	30.8	Very low	32.8	Very low	206 Å²	206	138.3 Å²	138.3	90%	0.896	75%	0.751	S	S	*	*			trans	176.5	137.7	158.9	-102.8	150.9	-172.1	173.8	0	108.8
345	T	35.2	Very low	33.2	Very low	118 Å²	118	140.9 Å²	140.9	72%	0.724	76%	0.756	S	S	*	*	S	Bend	cis	-146.2	111.6	14.1	-66.9	0	0	0	0	107.7
346	R	36.5	Very low	32.6	Very low	227 Å²	227	144 Å²	144	86%	0.857	76%	0.759	S	S	*	*				76.9	138.2	86.4	-167.7	-173.5	-170.9	-116.2	7.8	114.4
347	K	39.7	Very low	32	Very low	142 Å²	142	144.7 Å²	144.7	62%	0.617	76%	0.761	S	S	*	*			cis	-86.7	-112.5	-3	-163.2	-164.9	-179.4	-163.6	0	109.7	S349	K347-S349 WeakPolarHBondContact CE-OG 3.39Å; K347-S349 PolarHBondContact NZ-OG 3.29Å
348	T	34.7	Very low	31.8	Very low	133 Å²	133	143.3 Å²	143.3	82%	0.816	76%	0.762	S	S	*	*			cis	-134.5	179.1	-6.9	-48.1	0	0	0	0	108.5
349	S	33.6	Very low	31.8	Very low	70 Å²	70	145.5 Å²	145.5	49%	0.49	77%	0.768	S	S	.	*			trans	-152.4	168.7	-146.2	61.7	0	0	0	0	114.7	K347	K347-S349 WeakPolarHBondContact CE-OG 3.39Å; K347-S349 PolarHBondContact NZ-OG 3.29Å
350	Q	30.1	Very low	31.6	Very low	176 Å²	176	143.2 Å²	143.2	82%	0.822	77%	0.77	S	S	*	*			cis	-150.3	150.8	19.5	-176.7	163.6	-34.5	0	0	112.9
351	D	34.2	Very low	31.2	Very low	132 Å²	132	145.4 Å²	145.4	71%	0.706	78%	0.776	S	S	*	*			trans	-104.1	163.8	178.1	-168.5	5.6	0	0	0	111.8
352	R	28.5	Very low	30.4	Very low	236 Å²	236	146 Å²	146	89%	0.891	78%	0.778	S	S	*	*			trans	-148.7	121.1	163.4	-166.9	168.3	-177.8	158.4	1.8	113.5
353	T	32	Very low	29.7	Very low	115 Å²	115	145.7 Å²	145.7	71%	0.706	78%	0.783	S	S	*	*			trans	-91.6	161.6	-176.7	53.2	0	0	0	0	114.1
354	S	23.5	Very low	29.6	Very low	120 Å²	120	148.2 Å²	148.2	84%	0.839	79%	0.788	S	S	*	*			trans	-167.1	140	135.4	50.9	0	0	0	0	112.4
355	L	29.9	Very low	29.6	Very low	171 Å²	171	144.6 Å²	144.6	90%	0.895	78%	0.778	S	S	*	*			trans	-107.1	149.7	167.5	-73.6	159.8	0	0	0	109
356	Q	26.5	Very low	29.6	Very low	187 Å²	187	144.2 Å²	144.2	87%	0.874	77%	0.772	S	S	*	*			trans	-167.2	144.2	134.3	-111.1	-176.5	18.9	0	0	114.6
357	T	23.4	Very low	29.6	Very low	127 Å²	127	140.5 Å²	140.5	78%	0.779	77%	0.765	S	S	*	*			trans	30.1	125	136.8	-48.9	0	0	0	0	120.6
358	G	24.9	Very low	29	Very low	65 Å²	65	141.7 Å²	141.7	67%	0.67	77%	0.772	S	S	*	*			trans	-103.3	-144.9	165.3	0	0	0	0	0	113.8
359	K	25.6	Very low	28.7	Very low	229 Å²	229	142.2 Å²	142.2	100%	0.996	77%	0.768	S	S	*	*			trans	86.4	121.4	-173.1	-168.1	-170.1	-179.1	-173.5	0	113.8
360	G	24.9	Very low	28.5	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	78%	0.781	S	S	*	*			trans	152.2	119.2	172	0	0	0	0	0	113.6
361	E	23.4	Very low	28.4	Very low	167 Å²	167	142.1 Å²	142.1	78%	0.78	78%	0.775	S	S	*	*			trans	-67.7	156.4	178.7	-80.3	166.8	99.9	0	0	116.4
362	M	26.1	Very low	27.9	Very low	169 Å²	169	140.8 Å²	140.8	83%	0.833	78%	0.776	S	S	*	*			trans	67.2	158.1	138.7	-74.3	-176.6	-169.8	0	0	122.8
363	A	25.7	Very low	27.8	Very low	91 Å²	91	137.1 Å²	137.1	75%	0.752	77%	0.774	S	S	*	*			trans	71.4	134	166.8	0	0	0	0	0	116.9
364	L	33.4	Very low	27.9	Very low	154 Å²	154	138.9 Å²	138.9	81%	0.806	78%	0.778	S	S	*	*				64.9	131.3	65.1	-114.9	84.5	0	0	0	111.8
365	D	31.1	Very low	28	Very low	129 Å²	129	139.4 Å²	139.4	69%	0.69	77%	0.772	S	S	*	*			cis	-154.8	167.1	7.5	-154.3	-176.4	0	0	0	113
366	D	34.8	Very low	28.1	Very low	110 Å²	110	135.9 Å²	135.9	59%	0.588	76%	0.762	S	S	*	*			trans	48.6	140.7	150	-115.4	8.4	0	0	0	126.3
367	Q	35	Very low	29.6	Very low	150 Å²	150	132.4 Å²	132.4	70%	0.701	76%	0.755	S	S	*	*				22.8	147.5	127.3	-75.5	179.6	92.1	0	0	121.7
368	E	28.3	Very low	30.6	Very low	166 Å²	166	132.6 Å²	132.6	78%	0.776	76%	0.759	S	S	*	*			cis	-167.3	-133.4	-7	-162.9	-158.1	-167.1	0	0	108.4
369	I	29.1	Very low	30.9	Very low	144 Å²	144	136.8 Å²	136.8	74%	0.738	77%	0.766	S	S	*	*			trans	85.8	82.7	161.9	-49	-175.1	0	0	0	118
370	L	27.7	Very low	31.2	Very low	146 Å²	146	132 Å²	132	76%	0.764	75%	0.751	S	S	*	*				75.7	94.7	113.2	-143	74.1	0	0	0	121.4
371	S	29	Very low	31.5	Very low	99 Å²	99	133.5 Å²	133.5	69%	0.692	75%	0.745	S	S	*	*				49.2	145.6	119.4	-46.5	0	0	0	0	124.1
372	S	23.9	Very low	31.7	Very low	103 Å²	103	132.5 Å²	132.5	72%	0.72	74%	0.742	S	S	*	*			trans	77.4	122.1	147.6	72.9	0	0	0	0	120.1
373	N	26.6	Very low	32.1	Very low	159 Å²	159	132 Å²	132	85%	0.85	74%	0.737	S	S	*	*				-154.8	176.1	98.9	-112.1	-86.2	0	0	0	112.4
374	L	33.3	Very low	32.2	Very low	152 Å²	152	132 Å²	132	80%	0.796	73%	0.732	S	S	*	*			trans	-139.4	166.7	-165.2	-154.8	88.7	0	0	0	110.9
375	D	25.7	Very low	32	Very low	132 Å²	132	132.1 Å²	132.1	71%	0.706	73%	0.73	S	S	*	*			trans	71.2	161.2	158.9	-129.5	49.1	0	0	0	116.3
376	S	32.9	Very low	31.9	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	74%	0.736	S	S	*	*			cis	-143.9	172.3	10.6	-53.8	0	0	0	0	111.8
377	P	56.7	Low	31.7	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	74%	0.743	S	S	*	*			trans	-97.2	-168.4	-177.3	42.4	-37.7	0	0	0	113.5
378	P	44.9	Very low	31.5	Very low	131 Å²	131	137 Å²	137	85%	0.851	74%	0.744	S	S	*	*				-149	-144.3	80.3	42.3	-20.8	0	0	0	115.1
379	D	31.4	Very low	31.8	Very low	153 Å²	153	132.9 Å²	132.9	82%	0.818	75%	0.746	S	S	*	*			trans	-121	176.2	-137.8	-142.3	-33.2	0	0	0	117.2
380	D	31.7	Very low	32.5	Very low	128 Å²	128	132.3 Å²	132.3	68%	0.684	75%	0.751	S	S	*	*			trans	96	137.3	141.5	-121	-31.9	0	0	0	126.5
381	T	30.8	Very low	32.6	Very low	110 Å²	110	129.7 Å²	129.7	68%	0.675	75%	0.751	S	S	*	*			trans	33.8	111.9	153.5	29.9	0	0	0	0	127.9
382	M	28.6	Very low	33	Very low	145 Å²	145	132.4 Å²	132.4	71%	0.714	75%	0.753	S	S	*	*				79.6	147	114.5	-81.7	-74.9	-128.5	0	0	126.5
383	H	33.5	Very low	34.1	Very low	158 Å²	158	136.7 Å²	136.7	73%	0.731	76%	0.761	S	S	*	*			trans	67.9	141.2	164.1	-52.1	-51.5	0	0	0	117.3
384	S	27.4	Very low	34.5	Very low	93 Å²	93	137.4 Å²	137.4	65%	0.65	76%	0.757	S	S	*	*			cis	-178.3	149.8	41.1	-134.9	0	0	0	0	114.5
385	M	29.1	Very low	34.7	Very low	155 Å²	155	137.4 Å²	137.4	76%	0.764	76%	0.757	S	S	*	*			trans	72.5	122.6	150.6	-56.3	-55.1	119.6	0	0	125.4
386	K	29.8	Very low	35.1	Very low	187 Å²	187	136.6 Å²	136.6	81%	0.813	76%	0.762	S	S	*	*			trans	75	104.9	132.9	-77	-175.4	172.2	178.1	0	124.4
387	K	30.7	Very low	35.3	Very low	170 Å²	170	138 Å²	138	74%	0.739	77%	0.766	S	S	*	*				93.7	107.8	100	-157.7	178.9	-176.8	-175.7	0	122.3
388	D	30	Very low	34.5	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	77%	0.768	S	S	*	*			trans	55.2	92.5	138.9	-46.6	-11.9	0	0	0	124.1
389	G	34.2	Very low	34.2	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	76%	0.763	S	S	*	*				75.6	177.6	121.8	0	0	0	0	0	121.1
390	P	45.3	Very low	34.5	Very low	132 Å²	132	138 Å²	138	86%	0.857	76%	0.762	S	S	*	*			cis	-129.7	-169.3	-6	42.9	-27.4	0	0	0	114.7
391	A	30.1	Very low	35	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	78%	0.775	S	S	*	*			trans	96.7	152.8	153.8	0	0	0	0	0	121.4
392	E	35.7	Very low	35.2	Very low	156 Å²	156	141 Å²	141	73%	0.729	77%	0.77	S	S	*	*			trans	65.2	76.9	167.2	-50.6	-153.5	148.7	0	0	119.6	F394	E392-F394 HydrophobicContact CB-CD2 4.24Å; E392-F394 HydrophobicContact CB-CE2 4.25Å; E392-F394 PolarHBondContact O-N 2.77Å; E392-F394 VanDerWaalsContact O-N 3.11Å
393	Q	47.7	Very low	35.8	Very low	192 Å²	192	141.9 Å²	141.9	90%	0.897	77%	0.765	S	S	*	*			trans	-64	97.9	151.4	-69.8	177.8	-55	0	0	110.7
394	F	35	Very low	35.7	Very low	175 Å²	175	140 Å²	140	77%	0.768	76%	0.761	S	S	*	*			trans	-84.7	113.4	158.5	-88.1	-83	0	0	0	110.1	E392 S396	E392-F394 HydrophobicContact CB-CD2 4.24Å; E392-F394 HydrophobicContact CB-CE2 4.25Å; E392-F394 PolarHBondContact O-N 2.77Å; E392-F394 VanDerWaalsContact O-N 3.11Å; F394-S396 PolarHBondContact O-N 3.01Å
395	L	38.3	Very low	36	Very low	151 Å²	151	144.3 Å²	144.3	79%	0.791	77%	0.768	S	S	*	*			trans	-62.3	119.1	174.8	-66.4	171.3	0	0	0	109.6	V397	L395-V397 PolarHBondContact O-N 3.46Å
396	S	34.3	Very low	36.6	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	76%	0.761	S	S	*	*			trans	-70	92.6	176.2	42.9	0	0	0	0	110.5	F394 P398	F394-S396 PolarHBondContact O-N 3.01Å; S396-P398 WeakPolarHBondContact O-CD 3.39Å
397	V	35.2	Very low	37	Very low	127 Å²	127	140.7 Å²	140.7	77%	0.77	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-56.6	124	175.4	-172.8	0	0	0	0	109	L395 S399	L395-V397 PolarHBondContact O-N 3.46Å; V397-S399 PolarHBondContact O-N 3.02Å
398	P	40.8	Very low	37.4	Very low	119 Å²	119	139.4 Å²	139.4	77%	0.773	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-55.8	124.7	179.2	-28.2	36.3	0	0	0	111.7	S396 H400	S396-P398 WeakPolarHBondContact O-CD 3.39Å; P398-H400 PolarHBondContact O-N 3.24Å
399	S	38.8	Very low	38.2	Very low	107 Å²	107	136.2 Å²	136.2	75%	0.748	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-60.4	130.7	-171.7	58.3	0	0	0	0	112.4	V397	V397-S399 PolarHBondContact O-N 3.02Å
400	H	37.6	Very low	39.6	Very low	173 Å²	173	140.3 Å²	140.3	80%	0.801	76%	0.764	S	S	*	*			trans	-11.9	123.1	178.1	-44.2	-73	0	0	0	117.3	P398 S402	P398-H400 PolarHBondContact O-N 3.24Å; H400-S402 PolarHBondContact O-N 2.84Å
401	F	41.3	Very low	41.5	Very low	218 Å²	218	137.8 Å²	137.8	96%	0.956	75%	0.746	S	S	*	*			trans	-51.8	100.6	171.7	-110.3	-100.4	0	0	0	111.5
402	S	35.2	Very low	44.5	Very low	82 Å²	82	133.9 Å²	133.9	57%	0.573	71%	0.713	S	S	*	*			trans	-91.5	107.5	171.4	45.2	0	0	0	0	109.4	H400 N404	H400-S402 PolarHBondContact O-N 2.84Å; S402-N404 WeakPolarHBondContact CB-ND2 3.42Å; S402-N404 PolarHBondContact O-N 3.25Å; S402-N404 PolarHBondContact O-ND2 3.32Å; S402-N404 PolarHBondContact OG-ND2 3.21Å
403	W	42.5	Very low	47.3	Very low	163 Å²	163	128.8 Å²	128.8	62%	0.617	69%	0.69	S	S	*	*			trans	-71.3	69.6	172.8	-171.5	-83.5	0	0	0	109.9	Y491	W403-Y491 HydrophobicContact CH2-CD1 4.42Å; W403-Y491 AromaticContact CZ2-CD1 3.81Å; W403-Y491 HydrophobicContact CZ2-CD1 3.81Å; W403-Y491 AromaticContact CZ2-CE1 3.78Å; W403-Y491 HydrophobicContact CZ2-CE1 3.78Å
404	N	29.8	Very low	49.5	Very low	119 Å²	119	121.3 Å²	121.3	64%	0.636	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-72.6	126.4	172.5	-62.9	-57.2	0	0	0	108	S402	S402-N404 WeakPolarHBondContact CB-ND2 3.42Å; S402-N404 PolarHBondContact O-N 3.25Å; S402-N404 PolarHBondContact O-ND2 3.32Å; S402-N404 PolarHBondContact OG-ND2 3.21Å
405	K	34	Very low	52.2	Low	184 Å²	184	121.6 Å²	121.6	80%	0.8	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-49.8	130	169.3	-61.4	172.3	-175.9	173.1	0	107.9	K407	K405-K407 PolarHBondContact O-N 2.8Å
406	P	42.3	Very low	54.7	Low	94 Å²	94	118.6 Å²	118.6	61%	0.61	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-59.2	116.2	-176.5	23.2	-33.1	0	0	0	109.4	P408 P425	P406-P408 WeakPolarHBondContact O-CD 3.11Å; P406-P425 HydrophobicContact CG-CG 4.16Å
407	K	38.5	Very low	57.2	Low	172 Å²	172	119.2 Å²	119.2	75%	0.748	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-62.1	126.4	176.7	-68.6	-179.9	178.9	178.3	0	108.2	K405 G409	K405-K407 PolarHBondContact O-N 2.8Å; K407-G409 PolarHBondContact O-N 2.88Å
408	P	38.1	Very low	59.8	Low	142 Å²	142	116 Å²	116	92%	0.922	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	109.7	169.6	-21.9	33.6	0	0	0	108.6	P406	P406-P408 WeakPolarHBondContact O-CD 3.11Å
409	G	47	Very low	62.3	Low	70 Å²	70	114.1 Å²	114.1	72%	0.722	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	157.8	-23.8	-171.9	0	0	0	0	0	115.7	K407 T411	K407-G409 PolarHBondContact O-N 2.88Å; G409-T411 PolarHBondContact O-N 3.11Å
410	H	63.6	Low	64.9	Low	164 Å²	164	109.3 Å²	109.3	76%	0.759	57%	0.571	S	S	*	*			trans	-73.6	110.4	167.5	-75.7	-72.7	0	0	0	110.1
411	T	85.6	Confident	67.6	Low	79 Å²	79	104.5 Å²	104.5	49%	0.485	55%	0.554	S	S	.	*			trans	-61.4	137.4	168.5	52.7	0	0	0	0	109.7	G409 I413 F430	G409-T411 PolarHBondContact O-N 3.11Å; T411-I413 PolarHBondContact O-N 3.31Å; T411-F430 HydrophobicContact CG2-CE2 4.5Å; T411-F430 HydrophobicContact CG2-CZ 4.16Å
412	P	92.8	Very high	70.1	Confident	9 Å²	9	94.9 Å²	94.9	6%	0.058	51%	0.513	C	S	.	.	S	Bend	trans	-75.4	43.9	-179.3	31.4	-35.9	0	0	0	113.2	F414 L426 P427 F430 L582 S583	P412-F414 HydrophobicContact CB-CE2 4.24Å; P412-F414 WeakPolarHBondContact O-CD2 3.19Å; P412-F414 VanDerWaalsContact O-CE2 3.32Å; P412-F414 WeakPolarHBondContact O-CE2 3.42Å; P412-L426 HydrophobicContact CB-CD2 4.24Å; P412-P427 HydrophobicContact CB-CG 4.2Å; P412-P427 HydrophobicContact CG-CG 3.92Å; P412-F430 HydrophobicContact CG-CB 4.1Å; P412-F430 HydrophobicContact CG-CD1 4.39Å; P412-F430 HydrophobicContact CG-CD2 3.69Å; P412-F430 HydrophobicContact CG-CE2 4.21Å; P412-F430 HydrophobicContact CG-CG 3.79Å; P412-L582 HydrophobicContact CB-CD1 4.24Å; P412-L582 HydrophobicContact CG-CD1 3.67Å; P412-L582 CarbonylContact O-C 3.59Å; P412-L582 WeakPolarHBondContact O-CA 3.32Å; P412-S583 WeakPolarHBondContact CB-O 3.44Å; P412-S583 PolarHBondContact O-N 2.98Å
413	I	94	Very high	72.8	Confident	50 Å²	50	94.9 Å²	94.9	26%	0.256	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.7	-172.6	-55.5	175	0	0	0	109.1	T411 F430 K580 V581 L582	T411-I413 PolarHBondContact O-N 3.31Å; I413-F430 HydrophobicContact CD1-CE1 4.1Å; I413-F430 HydrophobicContact CD1-CZ 4.47Å; I413-K580 HydrophobicContact CG2-CB 3.62Å; I413-K580 HydrophobicContact CG2-CD 3.67Å; I413-K580 HydrophobicContact CG2-CG 4.28Å; I413-V581 CarbonylContact C-O 3.55Å; I413-V581 WeakPolarHBondContact CA-O 3.4Å; I413-L582 HydrophobicContact CG1-CD1 4.31Å
414	F	94.3	Very high	75.1	Confident	35 Å²	35	93.1 Å²	93.1	15%	0.154	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	168.5	-169.8	-52.9	-85.9	0	0	0	111.5	P412 P420 W424 L426 K580 V581 S583	P412-F414 HydrophobicContact CB-CE2 4.24Å; P412-F414 WeakPolarHBondContact O-CD2 3.19Å; P412-F414 VanDerWaalsContact O-CE2 3.32Å; P412-F414 WeakPolarHBondContact O-CE2 3.42Å; F414-P420 HydrophobicContact CD1-CB 4.46Å; F414-P420 HydrophobicContact CD2-CG 3.89Å; F414-P420 HydrophobicContact CE1-CB 4.21Å; F414-P420 HydrophobicContact CE2-CB 4.24Å; F414-P420 HydrophobicContact CE2-CG 3.83Å; F414-P420 HydrophobicContact CG-CG 4.27Å; F414-P420 HydrophobicContact CZ-CB 4.09Å; F414-P420 HydrophobicContact CZ-CG 4.19Å; F414-W424 HydrophobicContact CD1-CZ3 4.07Å; F414-W424 HydrophobicContact CE1-CE3 4.15Å; F414-W424 AromaticContact CE1-CH2 3.79Å; F414-W424 HydrophobicContact CE1-CH2 3.79Å; F414-W424 AromaticContact CE1-CZ3 3.35Å; F414-W424 HydrophobicContact CE1-CZ3 3.35Å; F414-W424 HydrophobicContact CZ-CE3 4.46Å; F414-W424 HydrophobicContact CZ-CZ3 4.06Å; F414-L426 HydrophobicContact CE2-CD2 3.79Å; F414-L426 HydrophobicContact CZ-CD2 3.85Å; F414-K580 CarbonylContact O-C 3.51Å; F414-K580 VanDerWaalsContact O-CA 3.31Å; F414-K580 WeakPolarHBondContact O-CA 3.37Å; F414-K580 VanDerWaalsContact O-CB 3.24Å; F414-K580 WeakPolarHBondContact O-CB 3.17Å; F414-V581 HydrophobicContact CB-CG2 4.25Å; F414-V581 PolarHBondContact N-O 3.39Å; F414-V581 PolarHBondContact O-N 3.05Å; F414-S583 VanDerWaalsContact CD2-OG 3.28Å; F414-S583 WeakPolarHBondContact CD2-OG 3.46Å
415	R	92.6	Very high	77.9	Confident	180 Å²	180	91.5 Å²	91.5	68%	0.679	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	146.4	170.6	-55.9	176.4	-179	145.7	-2.1	109.2	T417 S418	R415-T417 PolarHBondContact O-N 2.7Å; R415-S418 CarbonylContact O-C 3.45Å; R415-S418 PolarHBondContact O-N 3.39Å
416	T	89.4	Confident	80.7	Confident	88 Å²	88	83.8 Å²	83.8	54%	0.54	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-39.7	174.4	43.8	0	0	0	0	112.8	S418 V581	T416-S418 VanDerWaalsContact C-N 3.32Å; T416-S418 PolarHBondContact O-N 2.86Å; T416-V581 HydrophobicContact CG2-CG1 3.79Å
417	T	88.3	Confident	83.2	Confident	129 Å²	129	81.9 Å²	81.9	79%	0.791	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-5	179.8	53.6	0	0	0	0	114.8	R415	R415-T417 PolarHBondContact O-N 2.7Å
418	S	89.7	Confident	86	Confident	60 Å²	60	76.4 Å²	76.4	42%	0.42	43%	0.434	S	S	.	.	S	Bend	trans	-137.8	68.1	-177.9	72.7	0	0	0	0	110.5	R415 T416	R415-S418 CarbonylContact O-C 3.45Å; R415-S418 PolarHBondContact O-N 3.39Å; T416-S418 VanDerWaalsContact C-N 3.32Å; T416-S418 PolarHBondContact O-N 2.86Å
419	L	93.3	Very high	88.8	Confident	79 Å²	79	74.8 Å²	74.8	41%	0.414	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-63.2	145	176.3	-61.6	-175.2	0	0	0	111	V581	L419-V581 HydrophobicContact CD2-CG2 3.74Å
420	P	93.6	Very high	91.2	Very high	6 Å²	6	75.1 Å²	75.1	4%	0.039	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-62.2	147	-180	20.7	-30.1	0	0	0	112.5	F414 W424 L426 R571	F414-P420 HydrophobicContact CD1-CB 4.46Å; F414-P420 HydrophobicContact CD2-CG 3.89Å; F414-P420 HydrophobicContact CE1-CB 4.21Å; F414-P420 HydrophobicContact CE2-CB 4.24Å; F414-P420 HydrophobicContact CE2-CG 3.83Å; F414-P420 HydrophobicContact CG-CG 4.27Å; F414-P420 HydrophobicContact CZ-CB 4.09Å; F414-P420 HydrophobicContact CZ-CG 4.19Å; P420-W424 HydrophobicContact CB-CE3 3.39Å; P420-W424 HydrophobicContact CB-CZ3 3.84Å; P420-L426 HydrophobicContact CB-CD1 4.4Å; P420-L426 HydrophobicContact CG-CD1 3.91Å; P420-L426 HydrophobicContact CG-CD2 4.47Å; P420-R571 PolarHBondContact O-NH1 3.3Å; P420-R571 PolarHBondContact O-NH2 3.16Å
421	P	93.7	Very high	92.7	Very high	71 Å²	71	70.4 Å²	70.4	46%	0.461	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-58.6	161.7	172.6	-28.3	38.1	0	0	0	114	D423 W424 R571	P421-D423 VanDerWaalsContact C-N 3.34Å; P421-D423 WeakPolarHBondContact CB-OD1 3.41Å; P421-W424 HydrophobicContact CB-CB 4.45Å; P421-W424 PolarHBondContact O-N 3.16Å; P421-R571 PolarHBondContact O-NH1 3.25Å
422	L	93.9	Very high	93.1	Very high	16 Å²	16	73 Å²	73	8%	0.084	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-19.2	-178	-65.9	-179.3	0	0	0	114	F483 P494 L517 T520 V522	L422-F483 HydrophobicContact CB-CE2 4.49Å; L422-F483 HydrophobicContact CB-CZ 4.23Å; L422-F483 HydrophobicContact CD2-CD1 4.13Å; L422-F483 HydrophobicContact CD2-CE1 3.92Å; L422-F483 HydrophobicContact CD2-CZ 4.43Å; L422-F483 WeakPolarHBondContact O-CZ 3.45Å; L422-P494 HydrophobicContact CB-CG 3.65Å; L422-P494 HydrophobicContact CD1-CG 4.13Å; L422-L517 HydrophobicContact CD1-CB 4.06Å; L422-L517 HydrophobicContact CD2-CD1 4.39Å; L422-T520 HydrophobicContact CD1-CG2 3.95Å; L422-V522 HydrophobicContact CD1-CG2 3.73Å
423	D	91.1	Very high	93.3	Very high	82 Å²	82	74.1 Å²	74.1	44%	0.439	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.1	177.1	61.6	-48.7	0	0	0	113.2	P421 R493	P421-D423 VanDerWaalsContact C-N 3.34Å; P421-D423 WeakPolarHBondContact CB-OD1 3.41Å; D423-R493 HydrophobicContact CB-CB 4.09Å; D423-R493 HydrophobicContact CB-CG 3.72Å
424	W	91	Very high	93.5	Very high	126 Å²	126	73.8 Å²	73.8	48%	0.477	40%	0.399	S	S	.	.	S	Bend	trans	-88.6	128.5	-178.9	-145.2	23	0	0	0	110.2	F414 P420 P421 L426	F414-W424 HydrophobicContact CD1-CZ3 4.07Å; F414-W424 HydrophobicContact CE1-CE3 4.15Å; F414-W424 AromaticContact CE1-CH2 3.79Å; F414-W424 HydrophobicContact CE1-CH2 3.79Å; F414-W424 AromaticContact CE1-CZ3 3.35Å; F414-W424 HydrophobicContact CE1-CZ3 3.35Å; F414-W424 HydrophobicContact CZ-CE3 4.46Å; F414-W424 HydrophobicContact CZ-CZ3 4.06Å; P420-W424 HydrophobicContact CB-CE3 3.39Å; P420-W424 HydrophobicContact CB-CZ3 3.84Å; P421-W424 HydrophobicContact CB-CB 4.45Å; P421-W424 PolarHBondContact O-N 3.16Å; W424-L426 PolarHBondContact O-N 3.45Å
425	P	89.3	Confident	93.7	Very high	85 Å²	85	72.1 Å²	72.1	55%	0.552	39%	0.392	S	S	*	.			trans	-73	126.4	-176.7	28.6	-33	0	0	0	110.9	P406	P406-P425 HydrophobicContact CG-CG 4.16Å
426	L	93.4	Very high	94	Very high	22 Å²	22	67.7 Å²	67.7	12%	0.115	38%	0.378	C	S	.	.			trans	-123.3	147.7	177.2	-67.7	169.8	0	0	0	109.5	P412 F414 P420 W424 Q585	P412-L426 HydrophobicContact CB-CD2 4.24Å; F414-L426 HydrophobicContact CE2-CD2 3.79Å; F414-L426 HydrophobicContact CZ-CD2 3.85Å; P420-L426 HydrophobicContact CB-CD1 4.4Å; P420-L426 HydrophobicContact CG-CD1 3.91Å; P420-L426 HydrophobicContact CG-CD2 4.47Å; W424-L426 PolarHBondContact O-N 3.45Å; L426-Q585 HydrophobicContact CB-CB 3.68Å; L426-Q585 HydrophobicContact CD1-CB 4.47Å
427	P	95.1	Very high	94.4	Very high	55 Å²	55	64.6 Å²	64.6	36%	0.357	36%	0.357	S	S	.	.			trans	-76.8	156	179.1	33.4	-35.4	0	0	0	111.6	P412 Q429 L584 Q585	P412-P427 HydrophobicContact CB-CG 4.2Å; P412-P427 HydrophobicContact CG-CG 3.92Å; P427-Q429 VanDerWaalsContact C-N 3.35Å; P427-L584 HydrophobicContact CG-CD2 4.36Å; P427-L584 CarbonylContact O-C 3.6Å; P427-L584 VanDerWaalsContact O-CA 3.26Å; P427-L584 WeakPolarHBondContact O-CA 3.38Å; P427-Q585 CarbonylContact C-O 3.53Å; P427-Q585 PolarHBondContact O-N 3.49Å
428	S	96.4	Very high	94.9	Very high	56 Å²	56	62.7 Å²	62.7	39%	0.392	34%	0.34	S	S	.	.	S	Bend	trans	-76.5	-22.8	170.3	54.6	0	0	0	0	112.9	L435 Q585	S428-L435 PolarHBondContact O-N 3.01Å; S428-Q585 WeakPolarHBondContact CA-O 3.27Å; S428-Q585 WeakPolarHBondContact CB-O 3.48Å; S428-Q585 PolarHBondContact N-O 3.19Å
429	Q	97	Very high	95.3	Very high	109 Å²	109	61.9 Å²	61.9	51%	0.509	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.6	-176.4	-170.2	173.4	35	0	0	111.6	P427 Y433 E434	P427-Q429 VanDerWaalsContact C-N 3.35Å; Q429-Y433 CarbonylContact C-O 3.54Å; Q429-Y433 VanDerWaalsContact CA-O 3.27Å; Q429-Y433 WeakPolarHBondContact CA-O 3.17Å; Q429-Y433 WeakPolarHBondContact CG-O 3.26Å; Q429-E434 HydrophobicContact CB-CB 4.32Å; Q429-E434 HydrophobicContact CB-CG 4.23Å; Q429-E434 HydrophobicContact CG-CB 4Å; Q429-E434 HydrophobicContact CG-CG 4.31Å
430	F	96.6	Very high	95.5	Very high	77 Å²	77	61.4 Å²	61.4	34%	0.338	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	115.5	170.1	-172.9	-100.1	0	0	0	110.9	T411 P412 I413 Q432 Y433 L582 L584	T411-F430 HydrophobicContact CG2-CE2 4.5Å; T411-F430 HydrophobicContact CG2-CZ 4.16Å; P412-F430 HydrophobicContact CG-CB 4.1Å; P412-F430 HydrophobicContact CG-CD1 4.39Å; P412-F430 HydrophobicContact CG-CD2 3.69Å; P412-F430 HydrophobicContact CG-CE2 4.21Å; P412-F430 HydrophobicContact CG-CG 3.79Å; I413-F430 HydrophobicContact CD1-CE1 4.1Å; I413-F430 HydrophobicContact CD1-CZ 4.47Å; F430-Q432 PolarHBondContact O-N 2.68Å; F430-Y433 PolarHBondContact N-O 3.25Å; F430-Y433 PolarHBondContact O-N 2.69Å; F430-L582 HydrophobicContact CB-CD1 3.93Å; F430-L582 HydrophobicContact CB-CD2 4.48Å; F430-L582 HydrophobicContact CD1-CD1 3.63Å; F430-L582 HydrophobicContact CD1-CD2 4.14Å; F430-L582 HydrophobicContact CE1-CD1 4.44Å; F430-L582 HydrophobicContact CG-CD1 3.96Å; F430-L584 HydrophobicContact CB-CD2 3.77Å
431	G	94.7	Very high	95.6	Very high	65 Å²	65	61.3 Å²	61.3	67%	0.67	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	-129.6	-172.6	0	0	0	0	0	111.2	Y433	G431-Y433 VanDerWaalsContact C-N 3.27Å; G431-Y433 PolarHBondContact O-N 2.98Å
432	Q	94.1	Very high	95.5	Very high	133 Å²	133	62.2 Å²	62.2	62%	0.621	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.4	177.8	67.6	-167	-3.4	0	0	114.6	F430 G472	F430-Q432 PolarHBondContact O-N 2.68Å; Q432-G472 WeakPolarHBondContact O-CA 3.45Å
433	Y	97.9	Very high	95.3	Very high	32 Å²	32	63.5 Å²	63.5	13%	0.125	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.1	-171.4	-54.2	-70.6	0	0	0	111.6	Q429 F430 G431 T471 G472 Y473 I574 L582 L584	Q429-Y433 CarbonylContact C-O 3.54Å; Q429-Y433 VanDerWaalsContact CA-O 3.27Å; Q429-Y433 WeakPolarHBondContact CA-O 3.17Å; Q429-Y433 WeakPolarHBondContact CG-O 3.26Å; F430-Y433 PolarHBondContact N-O 3.25Å; F430-Y433 PolarHBondContact O-N 2.69Å; G431-Y433 VanDerWaalsContact C-N 3.27Å; G431-Y433 PolarHBondContact O-N 2.98Å; Y433-T471 WeakPolarHBondContact CA-O 3.35Å; Y433-G472 WeakPolarHBondContact CD1-O 3.42Å; Y433-G472 WeakPolarHBondContact CE1-O 3.46Å; Y433-Y473 HydrophobicContact CE1-CD2 4.17Å; Y433-Y473 HydrophobicContact CE1-CG 4.37Å; Y433-I574 HydrophobicContact CD1-CD1 4.26Å; Y433-I574 HydrophobicContact CG-CD1 4.19Å; Y433-L582 HydrophobicContact CD2-CD2 3.26Å; Y433-L582 HydrophobicContact CE2-CD2 3.9Å; Y433-L582 HydrophobicContact CG-CD2 3.89Å; Y433-L584 WeakPolarHBondContact O-CD1 3.49Å
434	E	98.3	Very high	95.3	Very high	43 Å²	43	62 Å²	62	20%	0.201	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	124.8	174.4	-174.4	-165.5	169.4	0	0	110.2	Q429 K436 L470 T471	Q429-E434 HydrophobicContact CB-CB 4.32Å; Q429-E434 HydrophobicContact CB-CG 4.23Å; Q429-E434 HydrophobicContact CG-CB 4Å; Q429-E434 HydrophobicContact CG-CG 4.31Å; E434-K436 HydrophobicContact CG-CB 4.36Å; E434-K436 WeakPolarHBondContact OE1-CG 3.15Å; E434-K436 IonicContact OE1-NZ 3.77Å; E434-K436 PolarHBondContact OE1-NZ 3.22Å; E434-K436 IonicContact OE2-NZ 3.15Å; E434-K436 PolarHBondContact OE2-NZ 3.33Å; E434-L470 WeakPolarHBondContact O-CA 3.26Å; E434-T471 WeakPolarHBondContact CB-OG1 3.46Å; E434-T471 PolarHBondContact N-O 3.22Å; E434-T471 PolarHBondContact O-N 3.05Å; E434-T471 PolarHBondContact O-OG1 3.16Å
435	L	98.7	Very high	95.4	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	112.8	164.2	-178.8	67.1	0	0	0	108.8	S428 V468 L470 L480 F570 V572 L584 A586	S428-L435 PolarHBondContact O-N 3.01Å; L435-V468 HydrophobicContact CD1-CG1 3.76Å; L435-V468 HydrophobicContact CG-CG1 4.42Å; L435-L470 HydrophobicContact CD1-CB 4.47Å; L435-L480 HydrophobicContact CD1-CD1 4.02Å; L435-L480 HydrophobicContact CD2-CD1 4.46Å; L435-F570 HydrophobicContact CD2-CB 4.32Å; L435-F570 WeakPolarHBondContact CD2-O 3.26Å; L435-V572 HydrophobicContact CB-CG2 4.38Å; L435-V572 HydrophobicContact CD1-CG1 3.8Å; L435-V572 HydrophobicContact CD1-CG2 4.28Å; L435-V572 HydrophobicContact CD2-CG1 4.31Å; L435-V572 HydrophobicContact CD2-CG2 4.23Å; L435-L584 HydrophobicContact CB-CB 3.98Å; L435-L584 HydrophobicContact CB-CD1 4.5Å; L435-A586 HydrophobicContact CD2-CB 4.18Å; L435-A586 HydrophobicContact CG-CB 4.18Å
436	K	98.1	Very high	95.6	Very high	87 Å²	87	56.4 Å²	56.4	38%	0.378	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.2	-171.7	-161.5	-171.5	-152.4	89.1	0	111.6	E434 E438 V468 K469	E434-K436 HydrophobicContact CG-CB 4.36Å; E434-K436 WeakPolarHBondContact OE1-CG 3.15Å; E434-K436 IonicContact OE1-NZ 3.77Å; E434-K436 PolarHBondContact OE1-NZ 3.22Å; E434-K436 IonicContact OE2-NZ 3.15Å; E434-K436 PolarHBondContact OE2-NZ 3.33Å; K436-E438 HydrophobicContact CD-CG 4.29Å; K436-E438 PolarHBondContact O-N 3.4Å; K436-V468 WeakPolarHBondContact O-CA 3.44Å; K436-K469 PolarHBondContact N-O 3Å; K436-K469 PolarHBondContact O-N 3.48Å
437	I	98.5	Very high	95.7	Very high	22 Å²	22	55.8 Å²	55.8	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	95.1	167.1	-53.9	172.8	0	0	0	106.7	V439 Q440 I467 V468 F570 A586 A587	I437-V439 VanDerWaalsContact C-N 3.35Å; I437-V439 WeakPolarHBondContact CG2-O 3.44Å; I437-Q440 HydrophobicContact CG2-CG 4.27Å; I437-I467 CarbonylContact C-O 3.53Å; I437-I467 WeakPolarHBondContact CA-O 3.16Å; I437-V468 HydrophobicContact CG1-CG2 4.34Å; I437-F570 HydrophobicContact CD1-CD2 3.74Å; I437-F570 HydrophobicContact CD1-CE2 4.04Å; I437-F570 HydrophobicContact CG1-CD2 3.92Å; I437-F570 HydrophobicContact CG1-CE2 4.27Å; I437-A586 HydrophobicContact CD1-CB 4.29Å; I437-A586 HydrophobicContact CG1-CB 4.15Å; I437-A587 VanDerWaalsContact CD1-C 3.48Å; I437-A587 WeakPolarHBondContact CD1-O 3.17Å
438	E	97.6	Very high	95.7	Very high	90 Å²	90	53.3 Å²	53.3	42%	0.421	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-35.4	179.5	-72.7	-172.7	142.1	0	0	111.7	K436 I467 K469	K436-E438 HydrophobicContact CD-CG 4.29Å; K436-E438 PolarHBondContact O-N 3.4Å; E438-I467 HydrophobicContact CB-CB 4.49Å; E438-I467 HydrophobicContact CB-CG2 4.29Å; E438-I467 PolarHBondContact N-O 2.85Å; E438-K469 HydrophobicContact CG-CB 4.21Å; E438-K469 HydrophobicContact CG-CD 4.28Å; E438-K469 WeakPolarHBondContact OE1-CD 3.44Å; E438-K469 IonicContact OE1-NZ 3.56Å; E438-K469 PolarHBondContact OE1-NZ 2.68Å; E438-K469 VanDerWaalsContact OE2-CD 3.32Å; E438-K469 WeakPolarHBondContact OE2-CD 3.46Å; E438-K469 IonicContact OE2-NZ 2.68Å
439	V	98.2	Very high	95.6	Very high	43 Å²	43	55.4 Å²	55.4	26%	0.261	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117	175.2	-179.2	0	0	0	0	109.7	I437 A460 P466 I467	I437-V439 VanDerWaalsContact C-N 3.35Å; I437-V439 WeakPolarHBondContact CG2-O 3.44Å; V439-A460 HydrophobicContact CG1-CB 3.42Å; V439-A460 VanDerWaalsContact CG1-CB 3.42Å; V439-P466 CarbonylContact O-C 3.44Å; V439-P466 WeakPolarHBondContact O-CA 3.29Å; V439-I467 HydrophobicContact CB-CB 3.87Å; V439-I467 HydrophobicContact CB-CD1 4.41Å; V439-I467 HydrophobicContact CB-CG1 4Å; V439-I467 HydrophobicContact CG2-CB 3.98Å; V439-I467 HydrophobicContact CG2-CD1 3.88Å; V439-I467 HydrophobicContact CG2-CG1 4Å; V439-I467 PolarHBondContact N-O 3.24Å; V439-I467 VanDerWaalsContact N-O 3.15Å; V439-I467 PolarHBondContact O-N 3.03Å
440	Q	97.7	Very high	95.4	Very high	69 Å²	69	55.9 Å²	55.9	32%	0.322	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-75.9	150	-179.4	-68.9	-78.2	-7	0	0	112.3	I437 A460 S588 I589	I437-Q440 HydrophobicContact CG2-CG 4.27Å; Q440-A460 WeakPolarHBondContact O-CA 3.46Å; Q440-A460 WeakPolarHBondContact O-CB 3.24Å; Q440-S588 VanDerWaalsContact OE1-CA 3.29Å; Q440-I589 HydrophobicContact CB-CG1 4.49Å; Q440-I589 HydrophobicContact CG-CG2 4.34Å
441	P	96.9	Very high	95.2	Very high	3 Å²	3	58 Å²	58	2%	0.019	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-63.4	162.3	167.8	30.1	-36.1	0	0	0	111.8	V458 K459 P466 I589 V591	P441-V458 HydrophobicContact CB-CG1 3.48Å; P441-V458 VanDerWaalsContact CB-CG1 3.48Å; P441-K459 CarbonylContact C-O 3.57Å; P441-K459 WeakPolarHBondContact CA-O 3.5Å; P441-P466 HydrophobicContact CB-CG 3.91Å; P441-I589 HydrophobicContact CG-CG1 4.46Å; P441-I589 WeakPolarHBondContact O-CD1 3.12Å; P441-V591 HydrophobicContact CB-CG2 4.19Å; P441-V591 HydrophobicContact CG-CG2 3.91Å
442	K	91.4	Very high	95	Very high	91 Å²	91	57.3 Å²	57.3	40%	0.396	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-60.6	147.2	167.6	-69.9	-169	-179.9	-165.9	0	110.1	H444 K459 A460	K442-H444 WeakPolarHBondContact CB-O 3.24Å; K442-H444 PolarHBondContact O-N 3.49Å; K442-K459 HydrophobicContact CD-CB 4.39Å; K442-K459 PolarHBondContact N-O 2.96Å; K442-A460 WeakPolarHBondContact CE-O 3.37Å; K442-A460 VanDerWaalsContact CG-C 3.46Å; K442-A460 WeakPolarHBondContact CG-O 3.31Å
443	A	89.8	Confident	94.7	Very high	43 Å²	43	53 Å²	53	36%	0.355	27%	0.269	S	S	.	.	S	Bend	trans	-63.3	-7	173.1	0	0	0	0	0	113.9	I589 E592	A443-I589 HydrophobicContact CB-CD1 4.43Å; A443-E592 PolarHBondContact O-N 3.35Å
444	H	90.3	Very high	94.3	Very high	49 Å²	49	54.4 Å²	54.4	23%	0.227	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-137.2	135.1	173.2	178.5	51.2	0	0	0	111.7	K442 E592 S594 A598	K442-H444 WeakPolarHBondContact CB-O 3.24Å; K442-H444 PolarHBondContact O-N 3.49Å; H444-E592 WeakPolarHBondContact CA-O 3.33Å; H444-E592 PolarHBondContact ND1-O 3Å; H444-S594 PolarHBondContact CE1-O 2.84Å; H444-S594 VanDerWaalsContact CE1-O 3.26Å; H444-A598 HydrophobicContact CB-CB 3.67Å; H444-A598 VanDerWaalsContact CG-CB 3.47Å
445	H	93.3	Very high	94	Very high	21 Å²	21	58.1 Å²	58.1	10%	0.097	30%	0.296	C	S	.	.			trans	-147.1	111.2	166.3	173.6	90.4	0	0	0	108.1	A447 G456 A457 I542 V591 E592 C593	H445-A447 PolarHBondContact O-N 2.83Å; H445-G456 PolarHBondContact CE1-O 2.78Å; H445-A457 PolarHBondContact CE1-O 2.75Å; H445-I542 HydrophobicContact CB-CD1 4.38Å; H445-I542 PolarHBondContact NE2-N 3.33Å; H445-V591 HydrophobicContact CB-CG1 3.79Å; H445-E592 PolarHBondContact N-O 3.39Å; H445-C593 WeakPolarHBondContact O-CA 3.4Å
446	R	93.4	Very high	93.8	Very high	74 Å²	74	59.2 Å²	59.2	28%	0.279	31%	0.307	S	S	.	.			trans	-58.4	110.7	176	173.7	179.8	166.1	171.1	-1.5	110	E452	R446-E452 IonicContact CZ-OE2 3.46Å; R446-E452 IonicContact NE-OE2 3.16Å; R446-E452 IonicContact NH2-OE2 2.65Å; R446-E452 PolarHBondContact NH2-OE2 3.15Å
447	A	95.1	Very high	93.7	Very high	9 Å²	9	55.7 Å²	55.7	7%	0.074	30%	0.295	C	S	.	.			trans	-69.4	162	170.3	0	0	0	0	0	110.9	H445 Y498 I542 K544 C593	H445-A447 PolarHBondContact O-N 2.83Å; A447-Y498 HydrophobicContact CB-CD1 3.92Å; A447-Y498 HydrophobicContact CB-CE1 3.62Å; A447-I542 VanDerWaalsContact CA-O 3.28Å; A447-I542 WeakPolarHBondContact CA-O 3.32Å; A447-I542 HydrophobicContact CB-CB 4.06Å; A447-I542 HydrophobicContact CB-CG2 3.83Å; A447-I542 WeakPolarHBondContact CB-O 3.26Å; A447-K544 HydrophobicContact CB-CB 4.41Å; A447-C593 HydrophobicContact CB-CB 3.84Å; A447-C593 PolarHBondContact N-O 2.94Å; A447-C593 VanDerWaalsContact N-O 3.09Å
448	H	95.1	Very high	93.7	Very high	3 Å²	3	54.8 Å²	54.8	1%	0.014	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-128.9	147.3	-174.2	69.8	-70.5	0	0	0	112	E452 G453 R455 H501 I542 L543 K544	H448-E452 WeakPolarHBondContact CA-OE1 3.4Å; H448-E452 HydrophobicContact CB-CG 3.69Å; H448-G453 PolarHBondContact CD2-O 3.45Å; H448-R455 HydrophobicContact CB-CB 4.24Å; H448-R455 HydrophobicContact CB-CG 3.56Å; H448-H501 AromaticContact CE1-CD2 3.28Å; H448-H501 PolarHBondContact CE1-CD2 2.9Å; H448-H501 AromaticContact CE1-CG 3.57Å; H448-H501 AromaticContact NE2-CD2 3.29Å; H448-H501 PolarHBondContact NE2-CD2 2.93Å; H448-H501 VanDerWaalsContact NE2-CD2 3.29Å; H448-H501 AromaticContact NE2-CG 3.63Å; H448-H501 AromaticContact NE2-NE2 3.63Å; H448-I542 PolarHBondContact CE1-O 3.09Å; H448-I542 PolarHBondContact N-O 2.91Å; H448-I542 VanDerWaalsContact N-O 3.1Å; H448-I542 PolarHBondContact ND1-O 3.37Å; H448-L543 CarbonylContact O-C 3.57Å; H448-L543 WeakPolarHBondContact O-CA 3.11Å; H448-K544 PolarHBondContact O-N 3.37Å
449	Y	95.4	Very high	93.6	Very high	99 Å²	99	54.7 Å²	54.7	39%	0.388	29%	0.288	S	S	.	.			trans	-77.7	155.8	166.8	-62	-80.6	0	0	0	110.9	T451 E452 K544 R546	Y449-T451 PolarHBondContact O-N 2.74Å; Y449-E452 WeakPolarHBondContact CD2-OE1 3.47Å; Y449-E452 PolarHBondContact N-OE1 2.78Å; Y449-E452 PolarHBondContact O-N 2.85Å; Y449-E452 VanDerWaalsContact O-N 3.1Å; Y449-K544 HydrophobicContact CD1-CB 4.14Å; Y449-K544 HydrophobicContact CD1-CG 3.96Å; Y449-K544 VanDerWaalsContact CD1-O 3.29Å; Y449-K544 WeakPolarHBondContact CD1-O 3.4Å; Y449-K544 HydrophobicContact CE1-CB 4.02Å; Y449-K544 HydrophobicContact CE1-CG 3.35Å; Y449-R546 HydrophobicContact CD1-CG 4.2Å
450	E	92.2	Very high	93.4	Very high	120 Å²	120	52.6 Å²	52.6	56%	0.561	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.8	175.7	-65.2	175.5	150.6	0	0	112.7	L543	E450-L543 HydrophobicContact CG-CD1 3.76Å; E450-L543 HydrophobicContact CG-CD2 3.83Å; E450-L543 HydrophobicContact CG-CG 4.15Å
451	T	92.6	Very high	92.8	Very high	120 Å²	120	53.3 Å²	53.3	74%	0.736	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-13	-178.3	58.6	0	0	0	0	115.5	Y449	Y449-T451 PolarHBondContact O-N 2.74Å
452	E	89.6	Confident	92.3	Very high	52 Å²	52	57.9 Å²	57.9	24%	0.243	33%	0.326	C	S	.	.	S	Bend	trans	-99.7	3.7	-174.5	80.3	178.9	98.1	0	0	114.5	R446 H448 Y449 R455	R446-E452 IonicContact CZ-OE2 3.46Å; R446-E452 IonicContact NE-OE2 3.16Å; R446-E452 IonicContact NH2-OE2 2.65Å; R446-E452 PolarHBondContact NH2-OE2 3.15Å; H448-E452 WeakPolarHBondContact CA-OE1 3.4Å; H448-E452 HydrophobicContact CB-CG 3.69Å; Y449-E452 WeakPolarHBondContact CD2-OE1 3.47Å; Y449-E452 PolarHBondContact N-OE1 2.78Å; Y449-E452 PolarHBondContact O-N 2.85Å; Y449-E452 VanDerWaalsContact O-N 3.1Å; E452-R455 IonicContact OE2-CZ 3.83Å; E452-R455 VanDerWaalsContact OE2-CZ 3.23Å; E452-R455 IonicContact OE2-NE 2.65Å; E452-R455 PolarHBondContact OE2-NE 3.45Å; E452-R455 IonicContact OE2-NH2 3.96Å; E452-R455 PolarHBondContact OE2-NH2 2.86Å
453	G	89.4	Confident	91.9	Very high	42 Å²	42	55.7 Å²	55.7	43%	0.433	33%	0.328	S	S	.	.			trans	74	164.6	-172.6	0	0	0	0	0	113.2	H448 R455	H448-G453 PolarHBondContact CD2-O 3.45Å; G453-R455 PolarHBondContact O-N 3.01Å
454	S	89.6	Confident	92.1	Very high	62 Å²	62	55.1 Å²	55.1	43%	0.434	33%	0.327	S	S	.	.			trans	-67.5	129.8	-176.9	-162.7	0	0	0	0	111.8	G456 H501 I503	S454-G456 PolarHBondContact O-N 3.45Å; S454-G456 PolarHBondContact OG-N 2.82Å; S454-H501 WeakPolarHBondContact CB-NE2 3.37Å; S454-H501 PolarHBondContact OG-CD2 3.15Å; S454-H501 VanDerWaalsContact OG-CD2 3.24Å; S454-H501 PolarHBondContact OG-NE2 2.91Å; S454-I503 WeakPolarHBondContact OG-CD1 3.49Å
455	R	91.3	Very high	92.4	Very high	120 Å²	120	54.7 Å²	54.7	45%	0.453	33%	0.325	S	S	.	.			trans	-83.4	9.7	171.4	-66.8	-72.2	175.7	-153	-10.4	113.2	H448 E452 G453	H448-R455 HydrophobicContact CB-CB 4.24Å; H448-R455 HydrophobicContact CB-CG 3.56Å; E452-R455 IonicContact OE2-CZ 3.83Å; E452-R455 VanDerWaalsContact OE2-CZ 3.23Å; E452-R455 IonicContact OE2-NE 2.65Å; E452-R455 PolarHBondContact OE2-NE 3.45Å; E452-R455 IonicContact OE2-NH2 3.96Å; E452-R455 PolarHBondContact OE2-NH2 2.86Å; G453-R455 PolarHBondContact O-N 3.01Å
456	G	94.3	Very high	92.7	Very high	24 Å²	24	53.9 Å²	53.9	25%	0.247	32%	0.321	C	S	.	.			trans	78	-175.1	-177.6	0	0	0	0	0	113.5	H445 S454	H445-G456 PolarHBondContact CE1-O 2.78Å; S454-G456 PolarHBondContact O-N 3.45Å; S454-G456 PolarHBondContact OG-N 2.82Å
457	A	96.7	Very high	92.9	Very high	14 Å²	14	52.7 Å²	52.7	12%	0.116	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-76.7	157	-175.2	0	0	0	0	0	113.7	H445 K459 I503 D538 A540	H445-A457 PolarHBondContact CE1-O 2.75Å; A457-K459 PolarHBondContact O-N 2.84Å; A457-I503 HydrophobicContact CB-CG1 4.16Å; A457-D538 WeakPolarHBondContact CB-O 3.45Å; A457-A540 CarbonylContact C-O 3.37Å; A457-A540 VanDerWaalsContact CA-O 3.22Å; A457-A540 WeakPolarHBondContact CA-O 3.15Å
458	V	96.9	Very high	93.1	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-62.4	132.4	171	-177	0	0	0	0	109.3	P441 P466 A540 I542	P441-V458 HydrophobicContact CB-CG1 3.48Å; P441-V458 VanDerWaalsContact CB-CG1 3.48Å; V458-P466 HydrophobicContact CG1-CG 4.24Å; V458-P466 WeakPolarHBondContact O-CD 3.33Å; V458-A540 PolarHBondContact N-O 3.14Å; V458-I542 HydrophobicContact CG2-CD1 4Å; V458-I542 HydrophobicContact CG2-CG1 3.83Å
459	K	96.1	Very high	93.2	Very high	87 Å²	87	54.7 Å²	54.7	38%	0.378	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-99.9	155	178.5	-67.9	-67.6	-174.7	176.7	0	111.9	P441 K442 A457 G464 H465	P441-K459 CarbonylContact C-O 3.57Å; P441-K459 WeakPolarHBondContact CA-O 3.5Å; K442-K459 HydrophobicContact CD-CB 4.39Å; K442-K459 PolarHBondContact N-O 2.96Å; A457-K459 PolarHBondContact O-N 2.84Å; K459-G464 CarbonylContact C-O 3.57Å; K459-G464 WeakPolarHBondContact CA-O 3.07Å; K459-G464 VanDerWaalsContact CD-O 3.23Å; K459-G464 WeakPolarHBondContact CD-O 3.32Å; K459-H465 PolarHBondContact NZ-NE2 2.81Å
460	A	95.1	Very high	93.4	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-87.6	161	168.8	0	0	0	0	0	112.2	V439 Q440 K442 S462 G463 G464 H465	V439-A460 HydrophobicContact CG1-CB 3.42Å; V439-A460 VanDerWaalsContact CG1-CB 3.42Å; Q440-A460 WeakPolarHBondContact O-CA 3.46Å; Q440-A460 WeakPolarHBondContact O-CB 3.24Å; K442-A460 WeakPolarHBondContact CE-O 3.37Å; K442-A460 VanDerWaalsContact CG-C 3.46Å; K442-A460 WeakPolarHBondContact CG-O 3.31Å; A460-S462 PolarHBondContact O-N 3.4Å; A460-G463 PolarHBondContact O-N 2.99Å; A460-G464 PolarHBondContact N-O 3.48Å; A460-H465 WeakPolarHBondContact CB-O 3.48Å
461	A	83.6	Confident	93.7	Very high	84 Å²	84	46.5 Å²	46.5	69%	0.694	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-39.9	177.3	0	0	0	0	0	112.8	G463	A461-G463 PolarHBondContact O-N 2.88Å; A461-G463 VanDerWaalsContact O-N 3.1Å
462	S	87.6	Confident	93.9	Very high	99 Å²	99	43 Å²	43	69%	0.692	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	1.4	175.9	53.9	0	0	0	0	115.7	A460 G464	A460-S462 PolarHBondContact O-N 3.4Å; S462-G464 VanDerWaalsContact C-N 3.27Å; S462-G464 PolarHBondContact O-N 2.99Å
463	G	82.8	Confident	94.2	Very high	44 Å²	44	41.3 Å²	41.3	45%	0.454	28%	0.275	S	S	.	.	S	Bend	trans	87	-17.7	-178.6	0	0	0	0	0	114.9	A460 A461	A460-G463 PolarHBondContact O-N 2.99Å; A461-G463 PolarHBondContact O-N 2.88Å; A461-G463 VanDerWaalsContact O-N 3.1Å
464	G	93.9	Very high	94.5	Very high	31 Å²	31	43.2 Å²	43.2	32%	0.32	28%	0.275	S	S	.	.	S	Bend	trans	-74.5	-152.1	170.2	0	0	0	0	0	113.4	K459 A460 S462	K459-G464 CarbonylContact C-O 3.57Å; K459-G464 WeakPolarHBondContact CA-O 3.07Å; K459-G464 VanDerWaalsContact CD-O 3.23Å; K459-G464 WeakPolarHBondContact CD-O 3.32Å; A460-G464 PolarHBondContact N-O 3.48Å; S462-G464 VanDerWaalsContact C-N 3.27Å; S462-G464 PolarHBondContact O-N 2.99Å
465	H	97.6	Very high	94.7	Very high	41 Å²	41	46.3 Å²	46.3	19%	0.19	29%	0.287	C	S	.	.			trans	-109.3	162.3	174.9	-55.1	108.8	0	0	0	110.5	K459 A460 D538	K459-H465 PolarHBondContact NZ-NE2 2.81Å; A460-H465 WeakPolarHBondContact CB-O 3.48Å; H465-D538 HydrophobicContact CB-CB 4.43Å; H465-D538 WeakPolarHBondContact CE1-CB 3.47Å; H465-D538 WeakPolarHBondContact ND1-CB 3.47Å
466	P	98.2	Very high	94.9	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.026	30%	0.295	C	S	.	.			trans	-57.6	148.8	169.4	-20.8	32.4	0	0	0	110.8	V439 P441 V458 S536 I537	V439-P466 CarbonylContact O-C 3.44Å; V439-P466 WeakPolarHBondContact O-CA 3.29Å; P441-P466 HydrophobicContact CB-CG 3.91Å; V458-P466 HydrophobicContact CG1-CG 4.24Å; V458-P466 WeakPolarHBondContact O-CD 3.33Å; P466-S536 CarbonylContact O-C 3.53Å; P466-S536 WeakPolarHBondContact O-CA 3.38Å; P466-I537 HydrophobicContact CB-CB 4.32Å; P466-I537 HydrophobicContact CB-CG1 4.36Å; P466-I537 PolarHBondContact O-N 3.04Å
467	I	98.4	Very high	95	Very high	49 Å²	49	50 Å²	50	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.3	177.3	-59.2	-178.4	0	0	0	108.6	I437 E438 V439 S534 A535	I437-I467 CarbonylContact C-O 3.53Å; I437-I467 WeakPolarHBondContact CA-O 3.16Å; E438-I467 HydrophobicContact CB-CB 4.49Å; E438-I467 HydrophobicContact CB-CG2 4.29Å; E438-I467 PolarHBondContact N-O 2.85Å; V439-I467 HydrophobicContact CB-CB 3.87Å; V439-I467 HydrophobicContact CB-CD1 4.41Å; V439-I467 HydrophobicContact CB-CG1 4Å; V439-I467 HydrophobicContact CG2-CB 3.98Å; V439-I467 HydrophobicContact CG2-CD1 3.88Å; V439-I467 HydrophobicContact CG2-CG1 4Å; V439-I467 PolarHBondContact N-O 3.24Å; V439-I467 VanDerWaalsContact N-O 3.15Å; V439-I467 PolarHBondContact O-N 3.03Å; I467-S534 VanDerWaalsContact CG2-OG 3.26Å; I467-S534 WeakPolarHBondContact CG2-OG 3.26Å; I467-A535 WeakPolarHBondContact CA-O 3.43Å
468	V	98.5	Very high	95.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.3	-179.5	-175.3	0	0	0	0	109.2	L435 K436 I437 L480 S534 A535 I537 F570	L435-V468 HydrophobicContact CD1-CG1 3.76Å; L435-V468 HydrophobicContact CG-CG1 4.42Å; K436-V468 WeakPolarHBondContact O-CA 3.44Å; I437-V468 HydrophobicContact CG1-CG2 4.34Å; V468-L480 HydrophobicContact CB-CD2 4.02Å; V468-L480 HydrophobicContact CG1-CD1 4.05Å; V468-L480 HydrophobicContact CG1-CD2 4.03Å; V468-S534 CarbonylContact O-C 3.54Å; V468-S534 WeakPolarHBondContact O-CA 3.46Å; V468-S534 PolarHBondContact O-OG 3.06Å; V468-A535 PolarHBondContact N-O 3.49Å; V468-A535 PolarHBondContact O-N 3.48Å; V468-I537 HydrophobicContact CG2-CD1 4.36Å; V468-I537 HydrophobicContact CG2-CG1 4.13Å; V468-F570 HydrophobicContact CG1-CB 4.24Å; V468-F570 HydrophobicContact CG1-CG 4.21Å; V468-F570 HydrophobicContact CG2-CD1 3.84Å; V468-F570 HydrophobicContact CG2-CD2 3.67Å; V468-F570 HydrophobicContact CG2-CE1 3.7Å; V468-F570 HydrophobicContact CG2-CE2 3.5Å; V468-F570 HydrophobicContact CG2-CG 3.81Å; V468-F570 HydrophobicContact CG2-CZ 3.51Å
469	K	98.4	Very high	95.1	Very high	53 Å²	53	53.1 Å²	53.1	23%	0.23	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.3	-174.6	-175.7	177.4	-178.5	174.5	0	111.6	K436 E438 T471 M533	K436-K469 PolarHBondContact N-O 3Å; K436-K469 PolarHBondContact O-N 3.48Å; E438-K469 HydrophobicContact CG-CB 4.21Å; E438-K469 HydrophobicContact CG-CD 4.28Å; E438-K469 WeakPolarHBondContact OE1-CD 3.44Å; E438-K469 IonicContact OE1-NZ 3.56Å; E438-K469 PolarHBondContact OE1-NZ 2.68Å; E438-K469 VanDerWaalsContact OE2-CD 3.32Å; E438-K469 WeakPolarHBondContact OE2-CD 3.46Å; E438-K469 IonicContact OE2-NZ 2.68Å; K469-T471 HydrophobicContact CD-CG2 4.24Å; K469-T471 HydrophobicContact CG-CG2 4.2Å; K469-M533 VanDerWaalsContact CA-O 3.31Å; K469-M533 WeakPolarHBondContact CA-O 3.46Å
470	L	98.6	Very high	95.2	Very high	2 Å²	2	49 Å²	49	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.3	166.2	170	60.3	0	0	0	108.8	E434 L435 Y473 V478 L527 M533 V572 I574 L584	E434-L470 WeakPolarHBondContact O-CA 3.26Å; L435-L470 HydrophobicContact CD1-CB 4.47Å; L470-Y473 HydrophobicContact CD2-CD1 3.77Å; L470-Y473 HydrophobicContact CD2-CG 4.3Å; L470-V478 HydrophobicContact CD2-CG2 4.01Å; L470-L527 HydrophobicContact CB-CD1 3.97Å; L470-M533 HydrophobicContact CB-CB 4.21Å; L470-M533 PolarHBondContact N-O 2.8Å; L470-M533 VanDerWaalsContact O-CB 3.26Å; L470-M533 WeakPolarHBondContact O-CB 3.44Å; L470-V572 HydrophobicContact CD1-CG2 4.39Å; L470-V572 HydrophobicContact CD2-CG2 4.34Å; L470-I574 HydrophobicContact CD1-CD1 3.67Å; L470-I574 HydrophobicContact CD2-CD1 3.82Å; L470-I574 HydrophobicContact CD2-CG1 3.89Å; L470-I574 HydrophobicContact CG-CD1 4.38Å; L470-L584 HydrophobicContact CD1-CD1 4.32Å
471	T	98	Very high	95.4	Very high	45 Å²	45	49.4 Å²	49.4	28%	0.276	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	161.8	174.1	66.8	0	0	0	0	111.1	Y433 E434 K469 Y473	Y433-T471 WeakPolarHBondContact CA-O 3.35Å; E434-T471 WeakPolarHBondContact CB-OG1 3.46Å; E434-T471 PolarHBondContact N-O 3.22Å; E434-T471 PolarHBondContact O-N 3.05Å; E434-T471 PolarHBondContact O-OG1 3.16Å; K469-T471 HydrophobicContact CD-CG2 4.24Å; K469-T471 HydrophobicContact CG-CG2 4.2Å; T471-Y473 PolarHBondContact O-N 3.48Å
472	G	96.4	Very high	96.1	Very high	47 Å²	47	45.5 Å²	45.5	49%	0.485	27%	0.273	S	S	.	.	S	Bend	trans	78.4	-7.4	-177.9	0	0	0	0	0	115.4	Q432 Y433	Q432-G472 WeakPolarHBondContact O-CA 3.45Å; Y433-G472 WeakPolarHBondContact CD1-O 3.42Å; Y433-G472 WeakPolarHBondContact CE1-O 3.46Å
473	Y	96.7	Very high	96.6	Very high	17 Å²	17	40.8 Å²	40.8	7%	0.067	24%	0.24	C	C	.	.			trans	-129	135.4	175.5	-177.9	-113	0	0	0	109.6	Y433 L470 T471 D475 K476 V478 M533 I574	Y433-Y473 HydrophobicContact CE1-CD2 4.17Å; Y433-Y473 HydrophobicContact CE1-CG 4.37Å; L470-Y473 HydrophobicContact CD2-CD1 3.77Å; L470-Y473 HydrophobicContact CD2-CG 4.3Å; T471-Y473 PolarHBondContact O-N 3.48Å; Y473-D475 HydrophobicContact CE2-CB 3.88Å; Y473-D475 WeakPolarHBondContact CE2-OD2 3.32Å; Y473-K476 WeakPolarHBondContact CE1-O 3.38Å; Y473-K476 PolarHBondContact OH-O 2.97Å; Y473-V478 HydrophobicContact CD1-CG2 4.34Å; Y473-V478 HydrophobicContact CE1-CG1 3.66Å; Y473-V478 HydrophobicContact CE1-CG2 4.1Å; Y473-M533 HydrophobicContact CD1-CE 3.97Å; Y473-M533 HydrophobicContact CE1-CE 3.98Å; Y473-M533 WeakPolarHBondContact O-CG 3.5Å; Y473-I574 HydrophobicContact CD1-CG2 4.08Å; Y473-I574 HydrophobicContact CD2-CG2 3.73Å; Y473-I574 HydrophobicContact CE1-CG2 4.2Å; Y473-I574 HydrophobicContact CE2-CG2 3.88Å; Y473-I574 HydrophobicContact CG-CG2 3.82Å
474	N	95.8	Very high	97.3	Very high	81 Å²	81	38.8 Å²	38.8	43%	0.433	22%	0.219	S	C	.	.			trans	-149.5	15	174.3	-154.8	69.6	0	0	0	113.5	P529	N474-P529 WeakPolarHBondContact O-CB 3.45Å
475	D	93.5	Very high	97.4	Very high	127 Å²	127	37.3 Å²	37.3	68%	0.679	20%	0.204	S	C	*	.	S	Bend	trans	-82.6	-37	-161.8	-49.3	-30.5	0	0	0	113.8	Y473	Y473-D475 HydrophobicContact CE2-CB 3.88Å; Y473-D475 WeakPolarHBondContact CE2-OD2 3.32Å
476	K	95.8	Very high	97.2	Very high	146 Å²	146	36.8 Å²	36.8	64%	0.635	20%	0.204	S	C	*	.	S	Bend	trans	-152.3	152.3	-176.9	-59.5	-173.8	-179.4	-175.9	0	110.2	Y473 M533	Y473-K476 WeakPolarHBondContact CE1-O 3.38Å; Y473-K476 PolarHBondContact OH-O 2.97Å; K476-M533 WeakPolarHBondContact O-CE 3.45Å
477	P	97.3	Very high	96.8	Very high	77 Å²	77	37.5 Å²	37.5	50%	0.5	21%	0.21	S	C	.	.			trans	-51.9	143.8	172.4	-30.1	37.2	0	0	0	114.3	L527 L528	P477-L527 VanDerWaalsContact CA-O 3.26Å; P477-L527 WeakPolarHBondContact CA-O 3.36Å; P477-L528 HydrophobicContact CB-CD2 3.93Å; P477-L528 HydrophobicContact CG-CD2 3.87Å
478	V	97.5	Very high	96.1	Very high	8 Å²	8	38 Å²	38	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	147.1	175.4	-74.2	0	0	0	0	111.2	L470 Y473 L527 M533 P575	L470-V478 HydrophobicContact CD2-CG2 4.01Å; Y473-V478 HydrophobicContact CD1-CG2 4.34Å; Y473-V478 HydrophobicContact CE1-CG1 3.66Å; Y473-V478 HydrophobicContact CE1-CG2 4.1Å; V478-L527 HydrophobicContact CG2-CB 4.22Å; V478-L527 PolarHBondContact N-O 3.35Å; V478-L527 VanDerWaalsContact N-O 3.16Å; V478-L527 WeakPolarHBondContact O-CB 3.5Å; V478-L527 PolarHBondContact O-N 3.16Å; V478-M533 HydrophobicContact CG2-SD 4.36Å; V478-P575 HydrophobicContact CG1-CG 4.48Å
479	N	97.7	Very high	94.8	Very high	74 Å²	74	43 Å²	43	40%	0.396	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.4	-179.9	-68	2.4	0	0	0	111.2	E524	N479-E524 HydrophobicContact CB-CB 4.47Å; N479-E524 PolarHBondContact ND2-OE2 3.5Å
480	L	98.4	Very high	93.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.8	164.5	-179.3	70.4	0	0	0	108.7	L435 V468 E524 I525 L527 I537 F570 R571 V572	L435-L480 HydrophobicContact CD1-CD1 4.02Å; L435-L480 HydrophobicContact CD2-CD1 4.46Å; V468-L480 HydrophobicContact CB-CD2 4.02Å; V468-L480 HydrophobicContact CG1-CD1 4.05Å; V468-L480 HydrophobicContact CG1-CD2 4.03Å; L480-E524 WeakPolarHBondContact O-CA 3.41Å; L480-I525 HydrophobicContact CB-CB 4.34Å; L480-I525 WeakPolarHBondContact CB-O 3.26Å; L480-I525 PolarHBondContact N-O 3.36Å; L480-I525 PolarHBondContact O-N 2.86Å; L480-L527 HydrophobicContact CB-CD1 4.19Å; L480-L527 HydrophobicContact CB-CD2 4.27Å; L480-L527 HydrophobicContact CB-CG 3.94Å; L480-L527 HydrophobicContact CD2-CD2 4.28Å; L480-I537 HydrophobicContact CD2-CD1 3.99Å; L480-F570 HydrophobicContact CD1-CB 4.09Å; L480-F570 HydrophobicContact CD1-CD1 4.42Å; L480-F570 HydrophobicContact CD2-CD1 4.05Å; L480-F570 HydrophobicContact CG-CD1 4.32Å; L480-R571 CarbonylContact C-O 3.54Å; L480-R571 WeakPolarHBondContact CA-O 3.4Å; L480-V572 HydrophobicContact CB-CG1 4.4Å; L480-V572 HydrophobicContact CD1-CG1 3.61Å
481	Q	98.3	Very high	92.8	Very high	9 Å²	9	54.7 Å²	54.7	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	125.6	171	-72.2	179.2	-13.3	0	0	109.7	V522 E524 F570 R571 H573	Q481-V522 HydrophobicContact CB-CG1 3.8Å; Q481-V522 HydrophobicContact CG-CG1 4.11Å; Q481-E524 HydrophobicContact CG-CG 4.17Å; Q481-E524 VanDerWaalsContact CG-OE1 3.24Å; Q481-E524 WeakPolarHBondContact CG-OE1 3.26Å; Q481-E524 PolarHBondContact NE2-OE1 2.91Å; Q481-F570 CarbonylContact O-C 3.51Å; Q481-F570 WeakPolarHBondContact O-CA 3.4Å; Q481-R571 HydrophobicContact CB-CB 4.37Å; Q481-R571 PolarHBondContact N-O 2.78Å; Q481-R571 PolarHBondContact O-N 3.37Å; Q481-H573 PolarHBondContact OE1-NE2 3.48Å
482	M	98.3	Very high	92.4	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.5	174	173.5	178.3	158.4	0	0	111	I484 V500 V522 L523 I537 A540 V568 V569 F570	M482-I484 HydrophobicContact CE-CD1 4.35Å; M482-V500 HydrophobicContact CE-CG2 3.93Å; M482-V522 CarbonylContact O-C 3.48Å; M482-V522 WeakPolarHBondContact O-CA 3.21Å; M482-L523 HydrophobicContact CB-CB 4.41Å; M482-L523 PolarHBondContact N-O 2.82Å; M482-L523 PolarHBondContact O-N 2.94Å; M482-I537 HydrophobicContact SD-CG2 3.6Å; M482-I537 VanDerWaalsContact SD-CG2 3.6Å; M482-A540 HydrophobicContact CE-CB 3.34Å; M482-A540 HydrophobicContact SD-CB 3.55Å; M482-A540 VanDerWaalsContact SD-CB 3.55Å; M482-V568 HydrophobicContact CE-CG1 3.54Å; M482-V568 HydrophobicContact CE-CG2 4.18Å; M482-V568 HydrophobicContact CG-CG1 3.72Å; M482-V568 HydrophobicContact SD-CG1 3.78Å; M482-V569 VanDerWaalsContact CA-O 3.32Å; M482-V569 WeakPolarHBondContact CA-O 3.22Å; M482-F570 HydrophobicContact CB-CD1 4.04Å; M482-F570 HydrophobicContact CB-CE1 4.1Å; M482-F570 HydrophobicContact CG-CD1 4.17Å; M482-F570 HydrophobicContact CG-CE1 3.87Å; M482-F570 HydrophobicContact SD-CE1 3.68Å; M482-F570 HydrophobicContact SD-CZ 4.25Å
483	F	98.3	Very high	92.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	169	171.3	67.2	-85.1	0	0	0	112.3	L422 P494 T520 V522 V569	L422-F483 HydrophobicContact CB-CE2 4.49Å; L422-F483 HydrophobicContact CB-CZ 4.23Å; L422-F483 HydrophobicContact CD2-CD1 4.13Å; L422-F483 HydrophobicContact CD2-CE1 3.92Å; L422-F483 HydrophobicContact CD2-CZ 4.43Å; L422-F483 WeakPolarHBondContact O-CZ 3.45Å; F483-P494 HydrophobicContact CD2-CG 4.23Å; F483-P494 HydrophobicContact CE2-CG 4.01Å; F483-T520 HydrophobicContact CB-CG2 4.37Å; F483-V522 HydrophobicContact CB-CG2 4.2Å; F483-V569 HydrophobicContact CD1-CB 4.08Å; F483-V569 HydrophobicContact CD1-CG1 4.33Å; F483-V569 HydrophobicContact CD2-CB 4.21Å; F483-V569 HydrophobicContact CD2-CG2 4.47Å; F483-V569 HydrophobicContact CE1-CB 3.76Å; F483-V569 HydrophobicContact CE1-CG1 3.56Å; F483-V569 HydrophobicContact CE2-CB 3.89Å; F483-V569 HydrophobicContact CE2-CG1 4.19Å; F483-V569 HydrophobicContact CE2-CG2 4.04Å; F483-V569 HydrophobicContact CG-CB 4.3Å; F483-V569 HydrophobicContact CZ-CB 3.67Å; F483-V569 HydrophobicContact CZ-CG1 3.49Å; F483-V569 VanDerWaalsContact CZ-CG1 3.49Å; F483-V569 HydrophobicContact CZ-CG2 4.18Å; F483-V569 PolarHBondContact N-O 3.1Å; F483-V569 PolarHBondContact O-N 3.28Å
484	I	97.8	Very high	92.1	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.6	177.8	-56.2	-58.2	0	0	0	109.3	M482 H495 V500 I542 V566 V568	M482-I484 HydrophobicContact CE-CD1 4.35Å; I484-H495 HydrophobicContact CG2-CB 4.23Å; I484-H495 PolarHBondContact O-N 2.83Å; I484-V500 HydrophobicContact CG1-CB 4.16Å; I484-I542 HydrophobicContact CD1-CD1 4.37Å; I484-I542 HydrophobicContact CD1-CG1 4Å; I484-I542 HydrophobicContact CG1-CG2 4.44Å; I484-V566 HydrophobicContact CG2-CB 3.61Å; I484-V566 HydrophobicContact CG2-CG1 3.82Å; I484-V566 HydrophobicContact CG2-CG2 3.81Å; I484-V568 HydrophobicContact CD1-CG2 4.13Å
485	G	95.6	Very high	91.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	170.5	-177.4	0	0	0	0	0	114.2	R493 V566 R567	G485-R493 CarbonylContact C-O 3.4Å; G485-R493 WeakPolarHBondContact CA-O 3.23Å; G485-V566 CarbonylContact O-C 3.54Å; G485-V566 WeakPolarHBondContact O-CA 3.39Å; G485-V566 WeakPolarHBondContact O-CB 3.34Å; G485-R567 PolarHBondContact N-O 3Å; G485-R567 PolarHBondContact O-N 2.99Å
486	T	93.8	Very high	91.8	Very high	30 Å²	30	49.7 Å²	49.7	18%	0.184	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	153.7	168.2	45.4	0	0	0	0	112.8	Y491 L492 R493	T486-Y491 PolarHBondContact OG1-O 2.72Å; T486-L492 WeakPolarHBondContact O-CD1 3.02Å; T486-L492 WeakPolarHBondContact OG1-CA 3.37Å; T486-R493 PolarHBondContact N-O 2.87Å; T486-R493 PolarHBondContact OG1-N 2.68Å; T486-R493 PolarHBondContact OG1-O 2.9Å
487	A	90.6	Very high	91.6	Very high	20 Å²	20	43 Å²	43	17%	0.165	21%	0.213	C	C	.	.	S	Bend	trans	-81.5	-19.6	179.2	0	0	0	0	0	115	R565 R567 P590	A487-R565 HydrophobicContact CB-CB 3.91Å; A487-R565 WeakPolarHBondContact CB-O 3.35Å; A487-R567 PolarHBondContact O-NE 3.26Å; A487-R567 PolarHBondContact O-NH2 2.85Å; A487-R567 VanDerWaalsContact O-NH2 3.16Å; A487-P590 HydrophobicContact CB-CB 4.12Å
488	D	82.3	Confident	91.5	Very high	58 Å²	58	39.8 Å²	39.8	31%	0.31	19%	0.191	S	C	.	.			trans	-81.4	116.7	179	-171.5	-25.8	0	0	0	111	R490 Y491 L492	D488-R490 PolarHBondContact O-N 2.94Å; D488-R490 WeakPolarHBondContact OD1-CB 3.18Å; D488-R490 IonicContact OD1-CZ 2.81Å; D488-R490 PolarHBondContact OD1-N 3.14Å; D488-R490 IonicContact OD1-NE 3.54Å; D488-R490 PolarHBondContact OD1-NE 2.7Å; D488-R490 IonicContact OD1-NH2 3.16Å; D488-R490 PolarHBondContact OD1-NH2 3.26Å; D488-R490 IonicContact OD2-CZ 2.69Å; D488-R490 IonicContact OD2-NE 3.76Å; D488-R490 PolarHBondContact OD2-NE 2.87Å; D488-R490 IonicContact OD2-NH2 3.35Å; D488-R490 PolarHBondContact OD2-NH2 2.89Å; D488-Y491 CarbonylContact O-C 3.56Å; D488-Y491 PolarHBondContact O-N 3.27Å; D488-Y491 VanDerWaalsContact O-N 3.14Å; D488-L492 PolarHBondContact O-N 3.37Å
489	D	72	Confident	91.5	Very high	107 Å²	107	40.3 Å²	40.3	57%	0.572	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-59.4	-27.3	-179.4	-66.7	-58.1	0	0	0	113.8	Y491 R567	D489-Y491 VanDerWaalsContact C-N 3.3Å; D489-R567 IonicContact OD1-CZ 2.78Å; D489-R567 IonicContact OD1-NE 3.57Å; D489-R567 IonicContact OD1-NH1 3.48Å; D489-R567 PolarHBondContact OD1-NH1 2.84Å; D489-R567 IonicContact OD1-NH2 3.49Å; D489-R567 PolarHBondContact OD1-NH2 3.21Å; D489-R567 IonicContact OD2-CZ 3.37Å; D489-R567 IonicContact OD2-NH1 2.74Å; D489-R567 IonicContact OD2-NH2 3.18Å; D489-R567 PolarHBondContact OD2-NH2 3.13Å
490	R	75.8	Confident	91.5	Very high	191 Å²	191	36.8 Å²	36.8	72%	0.721	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-78.5	-17.9	-178.7	-60.1	164.5	-64.3	-157.1	5.4	112.9	D488	D488-R490 PolarHBondContact O-N 2.94Å; D488-R490 WeakPolarHBondContact OD1-CB 3.18Å; D488-R490 IonicContact OD1-CZ 2.81Å; D488-R490 PolarHBondContact OD1-N 3.14Å; D488-R490 IonicContact OD1-NE 3.54Å; D488-R490 PolarHBondContact OD1-NE 2.7Å; D488-R490 IonicContact OD1-NH2 3.16Å; D488-R490 PolarHBondContact OD1-NH2 3.26Å; D488-R490 IonicContact OD2-CZ 2.69Å; D488-R490 IonicContact OD2-NE 3.76Å; D488-R490 PolarHBondContact OD2-NE 2.87Å; D488-R490 IonicContact OD2-NH2 3.35Å; D488-R490 PolarHBondContact OD2-NH2 2.89Å
491	Y	79.7	Confident	91.4	Very high	109 Å²	109	39 Å²	39	43%	0.427	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-137.6	44.9	-173.9	-60.9	-71.9	0	0	0	110.6	W403 T486 D488 D489 R493	W403-Y491 HydrophobicContact CH2-CD1 4.42Å; W403-Y491 AromaticContact CZ2-CD1 3.81Å; W403-Y491 HydrophobicContact CZ2-CD1 3.81Å; W403-Y491 AromaticContact CZ2-CE1 3.78Å; W403-Y491 HydrophobicContact CZ2-CE1 3.78Å; T486-Y491 PolarHBondContact OG1-O 2.72Å; D488-Y491 CarbonylContact O-C 3.56Å; D488-Y491 PolarHBondContact O-N 3.27Å; D488-Y491 VanDerWaalsContact O-N 3.14Å; D489-Y491 VanDerWaalsContact C-N 3.3Å; Y491-R493 PolarHBondContact O-N 3.01Å; Y491-R493 VanDerWaalsContact O-N 3.13Å
492	L	89.4	Confident	91.4	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	20%	0.2	C	C	.	.			trans	-64.6	108	178	-169.9	71.9	0	0	0	110.4	T486 D488 V569 A587	T486-L492 WeakPolarHBondContact O-CD1 3.02Å; T486-L492 WeakPolarHBondContact OG1-CA 3.37Å; D488-L492 PolarHBondContact O-N 3.37Å; L492-V569 HydrophobicContact CD1-CG2 3.76Å; L492-V569 HydrophobicContact CD2-CG1 4.06Å; L492-V569 HydrophobicContact CD2-CG2 4.08Å; L492-V569 HydrophobicContact CG-CG2 4.09Å; L492-A587 HydrophobicContact CD1-CB 4.2Å; L492-A587 HydrophobicContact CD2-CB 3.84Å
493	R	92.1	Very high	91.3	Very high	105 Å²	105	44.2 Å²	44.2	40%	0.396	21%	0.205	S	C	.	.			trans	-147.1	158.4	-175.3	-60	-174.1	-72.3	-170	-0.3	109.5	D423 G485 T486 Y491 H495	D423-R493 HydrophobicContact CB-CB 4.09Å; D423-R493 HydrophobicContact CB-CG 3.72Å; G485-R493 CarbonylContact C-O 3.4Å; G485-R493 WeakPolarHBondContact CA-O 3.23Å; T486-R493 PolarHBondContact N-O 2.87Å; T486-R493 PolarHBondContact OG1-N 2.68Å; T486-R493 PolarHBondContact OG1-O 2.9Å; Y491-R493 PolarHBondContact O-N 3.01Å; Y491-R493 VanDerWaalsContact O-N 3.13Å; R493-H495 PolarHBondContact O-N 2.72Å
494	P	94	Very high	91	Very high	33 Å²	33	48.9 Å²	48.9	21%	0.214	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-49.2	135.2	172.3	-30.9	37.6	0	0	0	113.5	L422 F483 A496 T520	L422-P494 HydrophobicContact CB-CG 3.65Å; L422-P494 HydrophobicContact CD1-CG 4.13Å; F483-P494 HydrophobicContact CD2-CG 4.23Å; F483-P494 HydrophobicContact CE2-CG 4.01Å; P494-A496 PolarHBondContact O-N 2.85Å; P494-T520 HydrophobicContact CB-CG2 3.78Å; P494-T520 WeakPolarHBondContact CB-OG1 3.3Å; P494-T520 HydrophobicContact CG-CG2 4.15Å
495	H	92.6	Very high	90.6	Very high	15 Å²	15	50.9 Å²	50.9	7%	0.069	26%	0.255	C	S	.	.			trans	-81.6	112.7	-174.7	-159	-68.2	0	0	0	111.7	I484 R493 F497 Y498	I484-H495 HydrophobicContact CG2-CB 4.23Å; I484-H495 PolarHBondContact O-N 2.83Å; R493-H495 PolarHBondContact O-N 2.72Å; H495-F497 PolarHBondContact ND1-N 2.95Å; H495-F497 PolarHBondContact O-N 2.82Å; H495-Y498 AromaticContact CE1-CD2 3.56Å; H495-Y498 AromaticContact ND1-CD2 3.5Å; H495-Y498 PolarHBondContact O-N 2.81Å; H495-Y498 VanDerWaalsContact O-N 3.17Å
496	A	90.3	Very high	90.1	Very high	27 Å²	27	61.6 Å²	61.6	22%	0.223	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.4	-176.8	0	0	0	0	0	114.6	P494 L545 K554	P494-A496 PolarHBondContact O-N 2.85Å; A496-L545 WeakPolarHBondContact O-CD1 3.38Å; A496-K554 HydrophobicContact CB-CD 4.07Å
497	F	91.4	Very high	89.8	Confident	6 Å²	6	66.3 Å²	66.3	3%	0.026	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-9.1	-176.2	-63.5	-107.1	0	0	0	115.3	H495 L545 I550 G560	H495-F497 PolarHBondContact ND1-N 2.95Å; H495-F497 PolarHBondContact O-N 2.82Å; F497-L545 PolarHBondContact O-N 3.22Å; F497-L545 VanDerWaalsContact O-N 3.14Å; F497-I550 HydrophobicContact CB-CD1 3.96Å; F497-I550 HydrophobicContact CD1-CD1 3.21Å; F497-I550 HydrophobicContact CD2-CD1 4.31Å; F497-I550 HydrophobicContact CE1-CD1 3.57Å; F497-I550 HydrophobicContact CE1-CG2 4.39Å; F497-I550 HydrophobicContact CE2-CG2 4.24Å; F497-I550 HydrophobicContact CG-CD1 3.6Å; F497-I550 HydrophobicContact CZ-CD1 4.22Å; F497-I550 HydrophobicContact CZ-CG2 4.04Å; F497-G560 VanDerWaalsContact CE2-CA 3.43Å
498	Y	95.4	Very high	90	Very high	10 Å²	10	66.9 Å²	66.9	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.7	-176.6	-67.6	-80.3	0	0	0	111.3	A447 H495 I542 L543 K544 V566 C593	A447-Y498 HydrophobicContact CB-CD1 3.92Å; A447-Y498 HydrophobicContact CB-CE1 3.62Å; H495-Y498 AromaticContact CE1-CD2 3.56Å; H495-Y498 AromaticContact ND1-CD2 3.5Å; H495-Y498 PolarHBondContact O-N 2.81Å; H495-Y498 VanDerWaalsContact O-N 3.17Å; Y498-I542 HydrophobicContact CD1-CG2 3.95Å; Y498-I542 HydrophobicContact CG-CG2 4.43Å; Y498-L543 CarbonylContact C-O 3.6Å; Y498-L543 WeakPolarHBondContact CA-O 3.43Å; Y498-L543 WeakPolarHBondContact CD1-O 3.44Å; Y498-K544 HydrophobicContact CD1-CB 4.05Å; Y498-K544 HydrophobicContact CD1-CD 3.87Å; Y498-K544 HydrophobicContact CE1-CB 3.87Å; Y498-K544 HydrophobicContact CE1-CD 3.36Å; Y498-K544 HydrophobicContact CE1-CG 4.15Å; Y498-K544 HydrophobicContact CE2-CD 4.29Å; Y498-V566 HydrophobicContact CD2-CG1 3.34Å; Y498-V566 HydrophobicContact CE2-CG1 3.93Å; Y498-V566 HydrophobicContact CG-CG1 3.77Å; Y498-C593 HydrophobicContact CD1-CB 4.44Å; Y498-C593 HydrophobicContact CE1-CB 3.68Å
499	Q	96.7	Very high	90.5	Very high	18 Å²	18	68.7 Å²	68.7	8%	0.084	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	161.6	178.3	-69.8	-170.5	-21.7	0	0	111.1	S519 K521 L543 L545	Q499-S519 PolarHBondContact NE2-O 3Å; Q499-K521 HydrophobicContact CB-CB 4.32Å; Q499-K521 HydrophobicContact CB-CD 4.23Å; Q499-K521 VanDerWaalsContact OE1-CD 3.29Å; Q499-L543 HydrophobicContact CB-CB 4.44Å; Q499-L543 PolarHBondContact N-O 3.33Å; Q499-L543 WeakPolarHBondContact O-CB 3.33Å; Q499-L543 PolarHBondContact O-N 3.49Å; Q499-L545 HydrophobicContact CG-CD1 3.89Å; Q499-L545 HydrophobicContact CG-CG 4.32Å
500	V	98.1	Very high	91.7	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.9	167.9	68.2	0	0	0	0	108.9	M482 I484 K521 L523 A540	M482-V500 HydrophobicContact CE-CG2 3.93Å; I484-V500 HydrophobicContact CG1-CB 4.16Å; V500-K521 HydrophobicContact CG1-CB 3.86Å; V500-K521 WeakPolarHBondContact CG1-O 3.4Å; V500-K521 WeakPolarHBondContact O-CD 3.42Å; V500-L523 HydrophobicContact CG1-CB 4.2Å; V500-L523 HydrophobicContact CG2-CB 4.08Å; V500-L523 HydrophobicContact CG2-CD2 4.46Å; V500-A540 HydrophobicContact CG2-CB 4.09Å
501	H	97.6	Very high	92.6	Very high	47 Å²	47	59.1 Å²	59.1	22%	0.218	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	121	170.2	172.9	63.6	0	0	0	108.5	H448 S454 I503 G541 L543	H448-H501 AromaticContact CE1-CD2 3.28Å; H448-H501 PolarHBondContact CE1-CD2 2.9Å; H448-H501 AromaticContact CE1-CG 3.57Å; H448-H501 AromaticContact NE2-CD2 3.29Å; H448-H501 PolarHBondContact NE2-CD2 2.93Å; H448-H501 VanDerWaalsContact NE2-CD2 3.29Å; H448-H501 AromaticContact NE2-CG 3.63Å; H448-H501 AromaticContact NE2-NE2 3.63Å; S454-H501 WeakPolarHBondContact CB-NE2 3.37Å; S454-H501 PolarHBondContact OG-CD2 3.15Å; S454-H501 VanDerWaalsContact OG-CD2 3.24Å; S454-H501 PolarHBondContact OG-NE2 2.91Å; H501-I503 VanDerWaalsContact CD2-CD1 3.49Å; H501-I503 WeakPolarHBondContact CD2-CD1 3.41Å; H501-I503 PolarHBondContact O-N 3.23Å; H501-G541 PolarHBondContact N-O 2.93Å; H501-G541 PolarHBondContact O-N 3.41Å; H501-L543 HydrophobicContact CB-CB 4.21Å
502	R	97.4	Very high	93.4	Very high	101 Å²	101	54.8 Å²	54.8	38%	0.381	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	123.3	173.9	-177.2	167.5	176	-108.2	8.8	110.8	T504 S512 E514 L523	R502-T504 HydrophobicContact CG-CG2 4.21Å; R502-S512 VanDerWaalsContact CZ-O 3.25Å; R502-S512 PolarHBondContact NE-O 3.14Å; R502-S512 PolarHBondContact NH2-O 3.3Å; R502-E514 HydrophobicContact CB-CB 4.31Å; R502-E514 WeakPolarHBondContact CB-OE2 3.4Å; R502-E514 PolarHBondContact N-OE2 3.04Å; R502-L523 HydrophobicContact CB-CD1 3.69Å; R502-L523 HydrophobicContact CG-CD1 3.7Å
503	I	96.4	Very high	93.8	Very high	19 Å²	19	59.1 Å²	59.1	10%	0.097	33%	0.333	C	S	.	.			trans	-96.6	131.6	174.5	-45.5	-64.9	0	0	0	108.4	S454 A457 H501 V508 C539	S454-I503 WeakPolarHBondContact OG-CD1 3.49Å; A457-I503 HydrophobicContact CB-CG1 4.16Å; H501-I503 VanDerWaalsContact CD2-CD1 3.49Å; H501-I503 WeakPolarHBondContact CD2-CD1 3.41Å; H501-I503 PolarHBondContact O-N 3.23Å; I503-V508 HydrophobicContact CB-CG2 4.45Å; I503-V508 HydrophobicContact CG2-CG2 3.88Å; I503-C539 PolarHBondContact N-O 3.37Å
504	T	92.7	Very high	94.1	Very high	97 Å²	97	57 Å²	57	60%	0.595	33%	0.328	S	S	*	.			trans	-134.6	142.1	175.6	56.2	0	0	0	0	110	R502	R502-T504 HydrophobicContact CG-CG2 4.21Å
505	G	88.8	Confident	94.2	Very high	45 Å²	45	57.4 Å²	57.4	46%	0.464	33%	0.328	S	S	.	.	S	Bend	trans	165.8	174.3	175	0	0	0	0	0	112.1	T507 V508	G505-T507 PolarHBondContact O-N 2.64Å; G505-V508 PolarHBondContact O-N 2.74Å
506	K	85.9	Confident	94.4	Very high	224 Å²	224	61 Å²	61	97%	0.974	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.3	-177.7	-62.5	-176.7	179.5	-178.6	0	114.7
507	T	87.1	Confident	94.5	Very high	130 Å²	130	62.6 Å²	62.6	80%	0.798	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	6.7	179.5	60.4	0	0	0	0	113.4	G505	G505-T507 PolarHBondContact O-N 2.64Å
508	V	95.2	Very high	94.4	Very high	32 Å²	32	68 Å²	68	19%	0.194	39%	0.393	C	S	.	.			trans	-104.2	115.1	174.6	-179.1	0	0	0	0	107.5	I503 G505 D538 C539	I503-V508 HydrophobicContact CB-CG2 4.45Å; I503-V508 HydrophobicContact CG2-CG2 3.88Å; G505-V508 PolarHBondContact O-N 2.74Å; V508-D538 WeakPolarHBondContact CA-OD2 3.31Å; V508-C539 HydrophobicContact CG1-CB 3.65Å
509	A	92.8	Very high	94	Very high	95 Å²	95	71.3 Å²	71.3	79%	0.785	42%	0.418	S	S	*	.			trans	-89.3	-29.1	178.5	0	0	0	0	0	112.3	A511 D538	A509-A511 PolarHBondContact O-N 3.46Å; A509-D538 PolarHBondContact N-OD2 3.13Å
510	T	95.6	Very high	93.9	Very high	29 Å²	29	71.5 Å²	71.5	18%	0.178	42%	0.42	C	S	.	.	S	Bend	trans	-82.8	114.9	-172.5	-48.9	0	0	0	0	111.7	I525 S536 D538 C539	T510-I525 HydrophobicContact CG2-CG2 3.56Å; T510-S536 PolarHBondContact OG1-O 2.8Å; T510-D538 WeakPolarHBondContact CB-OD1 3.43Å; T510-D538 PolarHBondContact N-OD1 2.85Å; T510-D538 VanDerWaalsContact N-OD1 3.13Å; T510-D538 PolarHBondContact OG1-OD1 2.65Å; T510-C539 WeakPolarHBondContact O-CB 3.45Å
511	A	95.3	Very high	93.9	Very high	68 Å²	68	73.6 Å²	73.6	56%	0.562	43%	0.43	S	S	*	.			trans	-56.4	138.9	169.7	0	0	0	0	0	110.8	A509 P526	A509-A511 PolarHBondContact O-N 3.46Å; A511-P526 HydrophobicContact CB-CG 4.41Å; A511-P526 WeakPolarHBondContact O-CD 3Å
512	S	97.3	Very high	93.9	Very high	18 Å²	18	71.4 Å²	71.4	13%	0.126	42%	0.419	C	S	.	.			trans	-157	153	-179.7	59.9	0	0	0	0	112.2	R502 E524	R502-S512 VanDerWaalsContact CZ-O 3.25Å; R502-S512 PolarHBondContact NE-O 3.14Å; R502-S512 PolarHBondContact NH2-O 3.3Å; S512-E524 CarbonylContact C-O 3.59Å; S512-E524 VanDerWaalsContact CA-O 3.26Å; S512-E524 WeakPolarHBondContact CA-O 3.41Å
513	Q	97.6	Very high	94	Very high	123 Å²	123	66.6 Å²	66.6	58%	0.575	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.4	176.4	-177.8	172.9	1.1	0	0	109.9	I515 L523 E524	Q513-I515 HydrophobicContact CG-CG2 4.28Å; Q513-L523 CarbonylContact O-C 3.59Å; Q513-L523 WeakPolarHBondContact O-CA 3.48Å; Q513-E524 PolarHBondContact N-O 2.87Å; Q513-E524 PolarHBondContact O-N 2.91Å
514	E	97.8	Very high	94.1	Very high	61 Å²	61	67.2 Å²	67.2	29%	0.285	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.2	173.2	-168	176.7	115.7	0	0	109.3	R502 K521 L523	R502-E514 HydrophobicContact CB-CB 4.31Å; R502-E514 WeakPolarHBondContact CB-OE2 3.4Å; R502-E514 PolarHBondContact N-OE2 3.04Å; E514-K521 WeakPolarHBondContact OE1-CD 3.42Å; E514-K521 WeakPolarHBondContact OE1-CE 3.21Å; E514-K521 IonicContact OE1-NZ 2.72Å; E514-K521 PolarHBondContact OE1-NZ 3.16Å; E514-K521 IonicContact OE2-NZ 3.36Å; E514-L523 HydrophobicContact CB-CD1 4.38Å
515	I	97	Very high	94.4	Very high	41 Å²	41	62.6 Å²	62.6	21%	0.21	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	162.3	172.9	67.3	171.4	0	0	0	109.7	Q513 L517 K521 V522 E524	Q513-I515 HydrophobicContact CG-CG2 4.28Å; I515-L517 HydrophobicContact CD1-CD1 4.11Å; I515-L517 HydrophobicContact CD1-CD2 4.14Å; I515-L517 HydrophobicContact CD1-CG 4.01Å; I515-L517 HydrophobicContact CG1-CG 4.4Å; I515-K521 WeakPolarHBondContact O-CA 3.43Å; I515-V522 HydrophobicContact CD1-CB 4.5Å; I515-V522 HydrophobicContact CG1-CB 3.94Å; I515-V522 PolarHBondContact N-O 3.16Å; I515-V522 PolarHBondContact O-N 3.22Å; I515-V522 VanDerWaalsContact O-O 3.12Å; I515-E524 HydrophobicContact CD1-CG 3.76Å; I515-E524 HydrophobicContact CG1-CG 4.15Å
516	V	96.1	Very high	94.8	Very high	90 Å²	90	62.7 Å²	62.7	55%	0.545	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	113	177.4	-177.7	0	0	0	0	109.9	T520 K521	V516-T520 CarbonylContact C-O 3.52Å; V516-T520 WeakPolarHBondContact CA-O 3.17Å; V516-K521 HydrophobicContact CG2-CG 4.39Å
517	L	93	Very high	95.4	Very high	60 Å²	60	52 Å²	52	31%	0.314	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.1	176	-60.5	-176.6	0	0	0	108.8	L422 I515 S519 T520 V522	L422-L517 HydrophobicContact CD1-CB 4.06Å; L422-L517 HydrophobicContact CD2-CD1 4.39Å; I515-L517 HydrophobicContact CD1-CD1 4.11Å; I515-L517 HydrophobicContact CD1-CD2 4.14Å; I515-L517 HydrophobicContact CD1-CG 4.01Å; I515-L517 HydrophobicContact CG1-CG 4.4Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.44Å; L517-T520 PolarHBondContact N-O 2.87Å; L517-T520 WeakPolarHBondContact O-CA 3.5Å; L517-T520 VanDerWaalsContact O-CB 3.26Å; L517-T520 WeakPolarHBondContact O-CB 3.43Å; L517-T520 PolarHBondContact O-N 2.91Å; L517-V522 HydrophobicContact CB-CG2 4.23Å; L517-V522 HydrophobicContact CD1-CG2 4.11Å; L517-V522 HydrophobicContact CG-CG2 4.2Å
518	S	88.3	Confident	95.9	Very high	119 Å²	119	48.5 Å²	48.5	83%	0.832	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	49.9	179.4	-55.7	0	0	0	0	113.7	T520	S518-T520 PolarHBondContact O-N 3.39Å; S518-T520 VanDerWaalsContact O-N 3.14Å
519	S	88.5	Confident	96	Very high	81 Å²	81	48 Å²	48	57%	0.566	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	2.6	-174	77.8	0	0	0	0	117	Q499 L517	Q499-S519 PolarHBondContact NE2-O 3Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.44Å
520	T	94.4	Very high	96.1	Very high	21 Å²	21	50.6 Å²	50.6	13%	0.129	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.3	173	-58.5	0	0	0	0	109.8	L422 F483 P494 V516 L517 S518 V522	L422-T520 HydrophobicContact CD1-CG2 3.95Å; F483-T520 HydrophobicContact CB-CG2 4.37Å; P494-T520 HydrophobicContact CB-CG2 3.78Å; P494-T520 WeakPolarHBondContact CB-OG1 3.3Å; P494-T520 HydrophobicContact CG-CG2 4.15Å; V516-T520 CarbonylContact C-O 3.52Å; V516-T520 WeakPolarHBondContact CA-O 3.17Å; L517-T520 PolarHBondContact N-O 2.87Å; L517-T520 WeakPolarHBondContact O-CA 3.5Å; L517-T520 VanDerWaalsContact O-CB 3.26Å; L517-T520 WeakPolarHBondContact O-CB 3.43Å; L517-T520 PolarHBondContact O-N 2.91Å; S518-T520 PolarHBondContact O-N 3.39Å; S518-T520 VanDerWaalsContact O-N 3.14Å; T520-V522 HydrophobicContact CG2-CG2 4.37Å; T520-V522 PolarHBondContact O-N 2.87Å
521	K	97.3	Very high	96.1	Very high	45 Å²	45	53.8 Å²	53.8	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.6	166.6	-68.1	178.6	177.9	-124.6	0	109.7	Q499 V500 E514 I515 V516	Q499-K521 HydrophobicContact CB-CB 4.32Å; Q499-K521 HydrophobicContact CB-CD 4.23Å; Q499-K521 VanDerWaalsContact OE1-CD 3.29Å; V500-K521 HydrophobicContact CG1-CB 3.86Å; V500-K521 WeakPolarHBondContact CG1-O 3.4Å; V500-K521 WeakPolarHBondContact O-CD 3.42Å; E514-K521 WeakPolarHBondContact OE1-CD 3.42Å; E514-K521 WeakPolarHBondContact OE1-CE 3.21Å; E514-K521 IonicContact OE1-NZ 2.72Å; E514-K521 PolarHBondContact OE1-NZ 3.16Å; E514-K521 IonicContact OE2-NZ 3.36Å; I515-K521 WeakPolarHBondContact O-CA 3.43Å; V516-K521 HydrophobicContact CG2-CG 4.39Å
522	V	98.4	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	136.9	173.6	-175.2	0	0	0	0	107.3	L422 Q481 M482 F483 I515 L517 T520	L422-V522 HydrophobicContact CD1-CG2 3.73Å; Q481-V522 HydrophobicContact CB-CG1 3.8Å; Q481-V522 HydrophobicContact CG-CG1 4.11Å; M482-V522 CarbonylContact O-C 3.48Å; M482-V522 WeakPolarHBondContact O-CA 3.21Å; F483-V522 HydrophobicContact CB-CG2 4.2Å; I515-V522 HydrophobicContact CD1-CB 4.5Å; I515-V522 HydrophobicContact CG1-CB 3.94Å; I515-V522 PolarHBondContact N-O 3.16Å; I515-V522 PolarHBondContact O-N 3.22Å; I515-V522 VanDerWaalsContact O-O 3.12Å; L517-V522 HydrophobicContact CB-CG2 4.23Å; L517-V522 HydrophobicContact CD1-CG2 4.11Å; L517-V522 HydrophobicContact CG-CG2 4.2Å; T520-V522 HydrophobicContact CG2-CG2 4.37Å; T520-V522 PolarHBondContact O-N 2.87Å
523	L	98.4	Very high	96.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.1	175.7	-167.2	74.5	0	0	0	108.4	M482 V500 R502 Q513 E514 I525 A540	M482-L523 HydrophobicContact CB-CB 4.41Å; M482-L523 PolarHBondContact N-O 2.82Å; M482-L523 PolarHBondContact O-N 2.94Å; V500-L523 HydrophobicContact CG1-CB 4.2Å; V500-L523 HydrophobicContact CG2-CB 4.08Å; V500-L523 HydrophobicContact CG2-CD2 4.46Å; R502-L523 HydrophobicContact CB-CD1 3.69Å; R502-L523 HydrophobicContact CG-CD1 3.7Å; Q513-L523 CarbonylContact O-C 3.59Å; Q513-L523 WeakPolarHBondContact O-CA 3.48Å; E514-L523 HydrophobicContact CB-CD1 4.38Å; L523-I525 HydrophobicContact CD2-CD1 4.17Å; L523-I525 HydrophobicContact CD2-CG1 4.29Å; L523-I525 HydrophobicContact CG-CG1 4.36Å; L523-A540 HydrophobicContact CD2-CB 3.62Å
524	E	98.3	Very high	96.2	Very high	32 Å²	32	48.6 Å²	48.6	15%	0.15	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.9	171.5	-57.8	-143.5	144.9	0	0	110.2	N479 L480 Q481 S512 Q513 I515	N479-E524 HydrophobicContact CB-CB 4.47Å; N479-E524 PolarHBondContact ND2-OE2 3.5Å; L480-E524 WeakPolarHBondContact O-CA 3.41Å; Q481-E524 HydrophobicContact CG-CG 4.17Å; Q481-E524 VanDerWaalsContact CG-OE1 3.24Å; Q481-E524 WeakPolarHBondContact CG-OE1 3.26Å; Q481-E524 PolarHBondContact NE2-OE1 2.91Å; S512-E524 CarbonylContact C-O 3.59Å; S512-E524 VanDerWaalsContact CA-O 3.26Å; S512-E524 WeakPolarHBondContact CA-O 3.41Å; Q513-E524 PolarHBondContact N-O 2.87Å; Q513-E524 PolarHBondContact O-N 2.91Å; I515-E524 HydrophobicContact CD1-CG 3.76Å; I515-E524 HydrophobicContact CG1-CG 4.15Å
525	I	98.6	Very high	96.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.6	-178.4	-62.7	168.9	0	0	0	107.4	L480 T510 L523 L527 A535 I537 C539	L480-I525 HydrophobicContact CB-CB 4.34Å; L480-I525 WeakPolarHBondContact CB-O 3.26Å; L480-I525 PolarHBondContact N-O 3.36Å; L480-I525 PolarHBondContact O-N 2.86Å; T510-I525 HydrophobicContact CG2-CG2 3.56Å; L523-I525 HydrophobicContact CD2-CD1 4.17Å; L523-I525 HydrophobicContact CD2-CG1 4.29Å; L523-I525 HydrophobicContact CG-CG1 4.36Å; I525-L527 PolarHBondContact O-N 2.97Å; I525-A535 HydrophobicContact CG2-CB 4.09Å; I525-I537 HydrophobicContact CD1-CD1 3.83Å; I525-I537 HydrophobicContact CD1-CG2 4.26Å; I525-C539 VanDerWaalsContact CD1-SG 3.59Å
526	P	97.9	Very high	96.2	Very high	48 Å²	48	46.5 Å²	46.5	31%	0.312	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	124.5	178.9	29.3	-32.5	0	0	0	111	A511 L528	A511-P526 HydrophobicContact CB-CG 4.41Å; A511-P526 WeakPolarHBondContact O-CD 3Å; P526-L528 HydrophobicContact CB-CD2 4.29Å
527	L	98.1	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130.2	160.6	-60.3	-179.5	0	0	0	108.5	L470 P477 V478 L480 I525 M533 A535 V572	L470-L527 HydrophobicContact CB-CD1 3.97Å; P477-L527 VanDerWaalsContact CA-O 3.26Å; P477-L527 WeakPolarHBondContact CA-O 3.36Å; V478-L527 HydrophobicContact CG2-CB 4.22Å; V478-L527 PolarHBondContact N-O 3.35Å; V478-L527 VanDerWaalsContact N-O 3.16Å; V478-L527 WeakPolarHBondContact O-CB 3.5Å; V478-L527 PolarHBondContact O-N 3.16Å; L480-L527 HydrophobicContact CB-CD1 4.19Å; L480-L527 HydrophobicContact CB-CD2 4.27Å; L480-L527 HydrophobicContact CB-CG 3.94Å; L480-L527 HydrophobicContact CD2-CD2 4.28Å; I525-L527 PolarHBondContact O-N 2.97Å; L527-M533 HydrophobicContact CB-SD 3.83Å; L527-A535 HydrophobicContact CD2-CB 3.67Å; L527-V572 HydrophobicContact CD1-CG1 3.92Å
528	L	97.5	Very high	96.6	Very high	56 Å²	56	40 Å²	40	29%	0.293	24%	0.239	S	C	.	.			trans	-116.8	135.1	-173.7	-63.9	-176.7	0	0	0	110.3	P477 P526 E530 N531 M533	P477-L528 HydrophobicContact CB-CD2 3.93Å; P477-L528 HydrophobicContact CG-CD2 3.87Å; P526-L528 HydrophobicContact CB-CD2 4.29Å; L528-E530 WeakPolarHBondContact CB-OE2 3.2Å; L528-E530 PolarHBondContact O-N 3.29Å; L528-N531 HydrophobicContact CB-CB 4.42Å; L528-N531 PolarHBondContact O-N 3.47Å; L528-M533 PolarHBondContact O-N 2.86Å
529	P	97.1	Very high	97	Very high	22 Å²	22	34.4 Å²	34.4	14%	0.143	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-50.8	-38.1	171.8	-25.7	31.5	0	0	0	113.4	N474 N531 S532 M533	N474-P529 WeakPolarHBondContact O-CB 3.45Å; P529-N531 PolarHBondContact O-N 3.11Å; P529-S532 PolarHBondContact O-N 3.07Å; P529-M533 HydrophobicContact CB-CE 4.21Å; P529-M533 HydrophobicContact CG-CE 3.58Å
530	E	96.5	Very high	97.5	Very high	148 Å²	148	30.5 Å²	30.5	69%	0.692	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-62.7	-32.4	-179.1	-61.2	73	-160.5	0	0	111.7	L528 S532	L528-E530 WeakPolarHBondContact CB-OE2 3.2Å; L528-E530 PolarHBondContact O-N 3.29Å; E530-S532 VanDerWaalsContact C-N 3.29Å; E530-S532 PolarHBondContact O-N 2.92Å
531	N	94.9	Very high	97.6	Very high	96 Å²	96	29.5 Å²	29.5	51%	0.513	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-92.9	20.5	175.9	-66.2	-27.9	0	0	0	112.3	L528 P529 M533 S534	L528-N531 HydrophobicContact CB-CB 4.42Å; L528-N531 PolarHBondContact O-N 3.47Å; P529-N531 PolarHBondContact O-N 3.11Å; N531-M533 PolarHBondContact O-N 2.87Å; N531-S534 WeakPolarHBondContact O-CB 3.44Å; N531-S534 PolarHBondContact O-N 2.98Å
532	S	96.6	Very high	97.7	Very high	75 Å²	75	27.4 Å²	27.4	52%	0.524	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	38	-175.9	-56.3	0	0	0	0	113.2	P529 E530 S534	P529-S532 PolarHBondContact O-N 3.07Å; E530-S532 VanDerWaalsContact C-N 3.29Å; E530-S532 PolarHBondContact O-N 2.92Å; S532-S534 PolarHBondContact O-N 2.84Å; S532-S534 VanDerWaalsContact O-N 3.16Å
533	M	97.8	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	30.7	-175.6	-67.4	-63.8	-179.5	0	0	114.7	K469 L470 Y473 K476 V478 L527 L528 P529 N531	K469-M533 VanDerWaalsContact CA-O 3.31Å; K469-M533 WeakPolarHBondContact CA-O 3.46Å; L470-M533 HydrophobicContact CB-CB 4.21Å; L470-M533 PolarHBondContact N-O 2.8Å; L470-M533 VanDerWaalsContact O-CB 3.26Å; L470-M533 WeakPolarHBondContact O-CB 3.44Å; Y473-M533 HydrophobicContact CD1-CE 3.97Å; Y473-M533 HydrophobicContact CE1-CE 3.98Å; Y473-M533 WeakPolarHBondContact O-CG 3.5Å; K476-M533 WeakPolarHBondContact O-CE 3.45Å; V478-M533 HydrophobicContact CG2-SD 4.36Å; L527-M533 HydrophobicContact CB-SD 3.83Å; L528-M533 PolarHBondContact O-N 2.86Å; P529-M533 HydrophobicContact CB-CE 4.21Å; P529-M533 HydrophobicContact CG-CE 3.58Å; N531-M533 PolarHBondContact O-N 2.87Å
534	S	98.1	Very high	97.4	Very high	26 Å²	26	28.6 Å²	28.6	18%	0.182	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.4	178.1	-164.6	0	0	0	0	112.1	I467 V468 N531 S532	I467-S534 VanDerWaalsContact CG2-OG 3.26Å; I467-S534 WeakPolarHBondContact CG2-OG 3.26Å; V468-S534 CarbonylContact O-C 3.54Å; V468-S534 WeakPolarHBondContact O-CA 3.46Å; V468-S534 PolarHBondContact O-OG 3.06Å; N531-S534 WeakPolarHBondContact O-CB 3.44Å; N531-S534 PolarHBondContact O-N 2.98Å; S532-S534 PolarHBondContact O-N 2.84Å; S532-S534 VanDerWaalsContact O-N 3.16Å
535	A	97.8	Very high	97.1	Very high	10 Å²	10	27.4 Å²	27.4	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.7	175.2	0	0	0	0	0	112.1	I467 V468 I525 L527 I537	I467-A535 WeakPolarHBondContact CA-O 3.43Å; V468-A535 PolarHBondContact N-O 3.49Å; V468-A535 PolarHBondContact O-N 3.48Å; I525-A535 HydrophobicContact CG2-CB 4.09Å; L527-A535 HydrophobicContact CD2-CB 3.67Å; A535-I537 HydrophobicContact CB-CD1 4.13Å
536	S	97.6	Very high	96.7	Very high	47 Å²	47	33.5 Å²	33.5	33%	0.329	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	113	171.6	155.5	0	0	0	0	109.3	P466 T510 D538	P466-S536 CarbonylContact O-C 3.53Å; P466-S536 WeakPolarHBondContact O-CA 3.38Å; T510-S536 PolarHBondContact OG1-O 2.8Å; S536-D538 VanDerWaalsContact C-N 3.29Å; S536-D538 PolarHBondContact O-N 2.84Å
537	I	98	Very high	96.1	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.015	18%	0.181	C	C	.	.			trans	-80.9	70.3	-167.9	-45.1	-59.1	0	0	0	111.5	P466 V468 L480 M482 I525 A535 A540 F570	P466-I537 HydrophobicContact CB-CB 4.32Å; P466-I537 HydrophobicContact CB-CG1 4.36Å; P466-I537 PolarHBondContact O-N 3.04Å; V468-I537 HydrophobicContact CG2-CD1 4.36Å; V468-I537 HydrophobicContact CG2-CG1 4.13Å; L480-I537 HydrophobicContact CD2-CD1 3.99Å; M482-I537 HydrophobicContact SD-CG2 3.6Å; M482-I537 VanDerWaalsContact SD-CG2 3.6Å; I525-I537 HydrophobicContact CD1-CD1 3.83Å; I525-I537 HydrophobicContact CD1-CG2 4.26Å; A535-I537 HydrophobicContact CB-CD1 4.13Å; I537-A540 HydrophobicContact CG2-CB 3.92Å; I537-F570 HydrophobicContact CD1-CE1 4.1Å; I537-F570 HydrophobicContact CG1-CE1 3.9Å; I537-F570 HydrophobicContact CG1-CZ 4Å; I537-F570 HydrophobicContact CG2-CE1 4.39Å
538	D	97.6	Very high	95.4	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.064	20%	0.199	C	C	.	.			trans	-91.7	-5.3	177.8	74.6	-22.8	0	0	0	113.9	A457 H465 V508 A509 T510 S536	A457-D538 WeakPolarHBondContact CB-O 3.45Å; H465-D538 HydrophobicContact CB-CB 4.43Å; H465-D538 WeakPolarHBondContact CE1-CB 3.47Å; H465-D538 WeakPolarHBondContact ND1-CB 3.47Å; V508-D538 WeakPolarHBondContact CA-OD2 3.31Å; A509-D538 PolarHBondContact N-OD2 3.13Å; T510-D538 WeakPolarHBondContact CB-OD1 3.43Å; T510-D538 PolarHBondContact N-OD1 2.85Å; T510-D538 VanDerWaalsContact N-OD1 3.13Å; T510-D538 PolarHBondContact OG1-OD1 2.65Å; S536-D538 VanDerWaalsContact C-N 3.29Å; S536-D538 PolarHBondContact O-N 2.84Å
539	C	97.7	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-100.4	10	-174.7	59.7	0	0	0	0	114.6	I503 V508 T510 I525	I503-C539 PolarHBondContact N-O 3.37Å; V508-C539 HydrophobicContact CG1-CB 3.65Å; T510-C539 WeakPolarHBondContact O-CB 3.45Å; I525-C539 VanDerWaalsContact CD1-SG 3.59Å
540	A	98.1	Very high	94.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	125.8	-171.2	0	0	0	0	0	114.5	A457 V458 M482 V500 L523 I537	A457-A540 CarbonylContact C-O 3.37Å; A457-A540 VanDerWaalsContact CA-O 3.22Å; A457-A540 WeakPolarHBondContact CA-O 3.15Å; V458-A540 PolarHBondContact N-O 3.14Å; M482-A540 HydrophobicContact CE-CB 3.34Å; M482-A540 HydrophobicContact SD-CB 3.55Å; M482-A540 VanDerWaalsContact SD-CB 3.55Å; V500-A540 HydrophobicContact CG2-CB 4.09Å; L523-A540 HydrophobicContact CD2-CB 3.62Å; I537-A540 HydrophobicContact CG2-CB 3.92Å
541	G	97.7	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-176.9	171.2	0	0	0	0	0	112.3	H501	H501-G541 PolarHBondContact N-O 2.93Å; H501-G541 PolarHBondContact O-N 3.41Å
542	I	98.1	Very high	92.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.4	-175.4	-49.9	179.6	0	0	0	110.8	H445 A447 H448 V458 I484 Y498 V566 V591	H445-I542 HydrophobicContact CB-CD1 4.38Å; H445-I542 PolarHBondContact NE2-N 3.33Å; A447-I542 VanDerWaalsContact CA-O 3.28Å; A447-I542 WeakPolarHBondContact CA-O 3.32Å; A447-I542 HydrophobicContact CB-CB 4.06Å; A447-I542 HydrophobicContact CB-CG2 3.83Å; A447-I542 WeakPolarHBondContact CB-O 3.26Å; H448-I542 PolarHBondContact CE1-O 3.09Å; H448-I542 PolarHBondContact N-O 2.91Å; H448-I542 VanDerWaalsContact N-O 3.1Å; H448-I542 PolarHBondContact ND1-O 3.37Å; V458-I542 HydrophobicContact CG2-CD1 4Å; V458-I542 HydrophobicContact CG2-CG1 3.83Å; I484-I542 HydrophobicContact CD1-CD1 4.37Å; I484-I542 HydrophobicContact CD1-CG1 4Å; I484-I542 HydrophobicContact CG1-CG2 4.44Å; Y498-I542 HydrophobicContact CD1-CG2 3.95Å; Y498-I542 HydrophobicContact CG-CG2 4.43Å; I542-V566 HydrophobicContact CD1-CG2 4.06Å; I542-V591 HydrophobicContact CD1-CG1 4.36Å
543	L	96.8	Very high	91	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.8	176.1	-163.4	72	0	0	0	110.6	H448 E450 Y498 Q499 H501 L545	H448-L543 CarbonylContact O-C 3.57Å; H448-L543 WeakPolarHBondContact O-CA 3.11Å; E450-L543 HydrophobicContact CG-CD1 3.76Å; E450-L543 HydrophobicContact CG-CD2 3.83Å; E450-L543 HydrophobicContact CG-CG 4.15Å; Y498-L543 CarbonylContact C-O 3.6Å; Y498-L543 WeakPolarHBondContact CA-O 3.43Å; Y498-L543 WeakPolarHBondContact CD1-O 3.44Å; Q499-L543 HydrophobicContact CB-CB 4.44Å; Q499-L543 PolarHBondContact N-O 3.33Å; Q499-L543 WeakPolarHBondContact O-CB 3.33Å; Q499-L543 PolarHBondContact O-N 3.49Å; H501-L543 HydrophobicContact CB-CB 4.21Å; L543-L545 HydrophobicContact CD2-CD2 4.46Å
544	K	94.6	Very high	89.5	Confident	22 Å²	22	42 Å²	42	10%	0.096	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.2	166.4	177.4	73.6	-174.6	76.8	0	108.4	A447 H448 Y449 Y498 N547	A447-K544 HydrophobicContact CB-CB 4.41Å; H448-K544 PolarHBondContact O-N 3.37Å; Y449-K544 HydrophobicContact CD1-CB 4.14Å; Y449-K544 HydrophobicContact CD1-CG 3.96Å; Y449-K544 VanDerWaalsContact CD1-O 3.29Å; Y449-K544 WeakPolarHBondContact CD1-O 3.4Å; Y449-K544 HydrophobicContact CE1-CB 4.02Å; Y449-K544 HydrophobicContact CE1-CG 3.35Å; Y498-K544 HydrophobicContact CD1-CB 4.05Å; Y498-K544 HydrophobicContact CD1-CD 3.87Å; Y498-K544 HydrophobicContact CE1-CB 3.87Å; Y498-K544 HydrophobicContact CE1-CD 3.36Å; Y498-K544 HydrophobicContact CE1-CG 4.15Å; Y498-K544 HydrophobicContact CE2-CD 4.29Å; K544-N547 PolarHBondContact NZ-OD1 2.98Å
545	L	92.2	Very high	87.7	Confident	8 Å²	8	43.7 Å²	43.7	4%	0.042	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-70.4	145.7	171.1	-65.9	167.9	0	0	0	109.8	A496 F497 Q499 L543 I550	A496-L545 WeakPolarHBondContact O-CD1 3.38Å; F497-L545 PolarHBondContact O-N 3.22Å; F497-L545 VanDerWaalsContact O-N 3.14Å; Q499-L545 HydrophobicContact CG-CD1 3.89Å; Q499-L545 HydrophobicContact CG-CG 4.32Å; L543-L545 HydrophobicContact CD2-CD2 4.46Å; L545-I550 HydrophobicContact CB-CD1 3.9Å; L545-I550 HydrophobicContact CB-CG1 3.9Å; L545-I550 HydrophobicContact CD1-CG1 4.31Å
546	R	89.5	Confident	85.8	Confident	127 Å²	127	46 Å²	46	48%	0.479	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-72.5	149.1	174	-44.2	174.7	-63.4	-178.1	5.9	109.1	Y449 S548 D549 I550	Y449-R546 HydrophobicContact CD1-CG 4.2Å; R546-S548 VanDerWaalsContact C-N 3.33Å; R546-S548 PolarHBondContact O-N 2.91Å; R546-D549 WeakPolarHBondContact CB-OD2 3.49Å; R546-D549 WeakPolarHBondContact CG-OD2 3.18Å; R546-D549 IonicContact CZ-OD1 3.55Å; R546-D549 IonicContact CZ-OD2 2.73Å; R546-D549 PolarHBondContact N-OD2 2.93Å; R546-D549 IonicContact NE-OD1 2.8Å; R546-D549 PolarHBondContact NE-OD1 2.84Å; R546-D549 IonicContact NE-OD2 2.72Å; R546-D549 PolarHBondContact NE-OD2 2.82Å; R546-D549 IonicContact NH2-OD1 3.69Å; R546-D549 PolarHBondContact NH2-OD1 3.01Å; R546-D549 IonicContact NH2-OD2 3.23Å; R546-D549 PolarHBondContact NH2-OD2 2.91Å; R546-D549 PolarHBondContact O-N 2.87Å; R546-D549 VanDerWaalsContact O-N 3.1Å; R546-I550 WeakPolarHBondContact O-CG1 3.38Å; R546-I550 PolarHBondContact O-N 2.79Å
547	N	85.4	Confident	83.8	Confident	61 Å²	61	48 Å²	48	33%	0.326	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-37.4	-173	-64.2	-6	0	0	0	112.1	K544 D549 I550 E551	K544-N547 PolarHBondContact NZ-OD1 2.98Å; N547-D549 PolarHBondContact O-N 3.17Å; N547-I550 PolarHBondContact O-N 2.84Å; N547-I550 VanDerWaalsContact O-N 3.11Å; N547-E551 WeakPolarHBondContact O-CG 3.33Å; N547-E551 PolarHBondContact O-N 2.67Å
548	S	84.8	Confident	81.6	Confident	55 Å²	55	52.9 Å²	52.9	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-48.7	-45.7	169.8	49.4	0	0	0	0	112.7	R546 I550 E551 L552	R546-S548 VanDerWaalsContact C-N 3.33Å; R546-S548 PolarHBondContact O-N 2.91Å; S548-I550 PolarHBondContact O-N 2.95Å; S548-E551 PolarHBondContact O-N 3.02Å; S548-L552 WeakPolarHBondContact O-CB 3.47Å; S548-L552 VanDerWaalsContact O-CG 3.27Å; S548-L552 WeakPolarHBondContact O-CG 3.38Å; S548-L552 PolarHBondContact O-N 2.77Å
549	D	83.6	Confident	79.5	Confident	27 Å²	27	58 Å²	58	14%	0.144	30%	0.3	C	S	.	.	H	α-helix	trans	-75	-15.7	-172.2	-42.9	-25.4	0	0	0	111.5	R546 N547 R553	R546-D549 WeakPolarHBondContact CB-OD2 3.49Å; R546-D549 WeakPolarHBondContact CG-OD2 3.18Å; R546-D549 IonicContact CZ-OD1 3.55Å; R546-D549 IonicContact CZ-OD2 2.73Å; R546-D549 PolarHBondContact N-OD2 2.93Å; R546-D549 IonicContact NE-OD1 2.8Å; R546-D549 PolarHBondContact NE-OD1 2.84Å; R546-D549 IonicContact NE-OD2 2.72Å; R546-D549 PolarHBondContact NE-OD2 2.82Å; R546-D549 IonicContact NH2-OD1 3.69Å; R546-D549 PolarHBondContact NH2-OD1 3.01Å; R546-D549 IonicContact NH2-OD2 3.23Å; R546-D549 PolarHBondContact NH2-OD2 2.91Å; R546-D549 PolarHBondContact O-N 2.87Å; R546-D549 VanDerWaalsContact O-N 3.1Å; N547-D549 PolarHBondContact O-N 3.17Å; D549-R553 VanDerWaalsContact O-CZ 3.28Å; D549-R553 PolarHBondContact O-NE 2.87Å; D549-R553 PolarHBondContact O-NH2 2.85Å
550	I	82.2	Confident	77.5	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.015	30%	0.304	C	S	.	.	H	α-helix	trans	-93	-45.9	177.4	-56.3	162.3	0	0	0	109.2	F497 L545 R546 N547 S548 L552 R553 K554	F497-I550 HydrophobicContact CB-CD1 3.96Å; F497-I550 HydrophobicContact CD1-CD1 3.21Å; F497-I550 HydrophobicContact CD2-CD1 4.31Å; F497-I550 HydrophobicContact CE1-CD1 3.57Å; F497-I550 HydrophobicContact CE1-CG2 4.39Å; F497-I550 HydrophobicContact CE2-CG2 4.24Å; F497-I550 HydrophobicContact CG-CD1 3.6Å; F497-I550 HydrophobicContact CZ-CD1 4.22Å; F497-I550 HydrophobicContact CZ-CG2 4.04Å; L545-I550 HydrophobicContact CB-CD1 3.9Å; L545-I550 HydrophobicContact CB-CG1 3.9Å; L545-I550 HydrophobicContact CD1-CG1 4.31Å; R546-I550 WeakPolarHBondContact O-CG1 3.38Å; R546-I550 PolarHBondContact O-N 2.79Å; N547-I550 PolarHBondContact O-N 2.84Å; N547-I550 VanDerWaalsContact O-N 3.11Å; S548-I550 PolarHBondContact O-N 2.95Å; I550-L552 VanDerWaalsContact C-N 3.29Å; I550-L552 PolarHBondContact O-N 3.01Å; I550-R553 PolarHBondContact O-N 3.08Å; I550-K554 WeakPolarHBondContact O-CB 3.03Å; I550-K554 PolarHBondContact O-N 2.9Å
551	E	79.1	Confident	75.7	Confident	70 Å²	70	64.4 Å²	64.4	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-56.8	-43.9	176.7	-70.4	167.5	-172	0	0	110.2	N547 S548 R553 G555 R561	N547-E551 WeakPolarHBondContact O-CG 3.33Å; N547-E551 PolarHBondContact O-N 2.67Å; S548-E551 PolarHBondContact O-N 3.02Å; E551-R553 PolarHBondContact O-N 2.94Å; E551-G555 PolarHBondContact O-N 3.39Å; E551-R561 IonicContact OE1-CZ 3.01Å; E551-R561 IonicContact OE1-NE 2.72Å; E551-R561 IonicContact OE1-NH2 3.57Å; E551-R561 PolarHBondContact OE1-NH2 2.77Å; E551-R561 IonicContact OE2-NH2 2.89Å
552	L	75.1	Confident	74.3	Confident	151 Å²	151	73.7 Å²	73.7	79%	0.791	37%	0.367	S	S	*	.	H	α-helix	trans	-66.3	-27.2	174.2	-72.7	170.3	0	0	0	115.3	S548 I550	S548-L552 WeakPolarHBondContact O-CB 3.47Å; S548-L552 VanDerWaalsContact O-CG 3.27Å; S548-L552 WeakPolarHBondContact O-CG 3.38Å; S548-L552 PolarHBondContact O-N 2.77Å; I550-L552 VanDerWaalsContact C-N 3.29Å; I550-L552 PolarHBondContact O-N 3.01Å
553	R	70.3	Confident	73.2	Confident	134 Å²	134	76.7 Å²	76.7	51%	0.506	38%	0.383	S	S	.	.	H	α-helix	trans	-97	-27.2	-175.3	-88.3	-174.9	-67.4	146.2	0.3	114.5	D549 I550 E551	D549-R553 VanDerWaalsContact O-CZ 3.28Å; D549-R553 PolarHBondContact O-NE 2.87Å; D549-R553 PolarHBondContact O-NH2 2.85Å; I550-R553 PolarHBondContact O-N 3.08Å; E551-R553 PolarHBondContact O-N 2.94Å
554	K	64.6	Low	72.8	Confident	123 Å²	123	78.6 Å²	78.6	54%	0.535	40%	0.395	S	S	.	.	H	α-helix	trans	-128.9	-13.1	-162.2	-150.6	169.3	-174.9	-65.2	0	114.4	A496 I550 E556	A496-K554 HydrophobicContact CB-CD 4.07Å; I550-K554 WeakPolarHBondContact O-CB 3.03Å; I550-K554 PolarHBondContact O-N 2.9Å; K554-E556 HydrophobicContact CB-CB 4.36Å; K554-E556 WeakPolarHBondContact CD-OE2 3.36Å; K554-E556 WeakPolarHBondContact CE-OE2 3.49Å; K554-E556 HydrophobicContact CG-CB 4.25Å; K554-E556 IonicContact NZ-OE2 2.97Å; K554-E556 PolarHBondContact NZ-OE2 3.44Å; K554-E556 PolarHBondContact O-N 2.8Å
555	G	61.3	Low	72.6	Confident	62 Å²	62	82.7 Å²	82.7	64%	0.639	41%	0.41	S	S	*	.			trans	61.8	1	-175.8	0	0	0	0	0	115	E551 T557	E551-G555 PolarHBondContact O-N 3.39Å; G555-T557 PolarHBondContact O-N 2.89Å; G555-T557 VanDerWaalsContact O-N 3.14Å
556	E	58.8	Low	72.8	Confident	57 Å²	57	82.3 Å²	82.3	27%	0.266	41%	0.408	S	S	.	.			trans	-86.8	86.3	-170.9	-173.3	178.2	-168.4	0	0	110.1	K554 I559	K554-E556 HydrophobicContact CB-CB 4.36Å; K554-E556 WeakPolarHBondContact CD-OE2 3.36Å; K554-E556 WeakPolarHBondContact CE-OE2 3.49Å; K554-E556 HydrophobicContact CG-CB 4.25Å; K554-E556 IonicContact NZ-OE2 2.97Å; K554-E556 PolarHBondContact NZ-OE2 3.44Å; K554-E556 PolarHBondContact O-N 2.8Å; E556-I559 HydrophobicContact CG-CD1 4.31Å
557	T	53.6	Low	73.1	Confident	89 Å²	89	77.6 Å²	77.6	55%	0.546	39%	0.39	S	S	.	.			trans	-74.2	151.4	176	45.2	0	0	0	0	112.3	G555 I559	G555-T557 PolarHBondContact O-N 2.89Å; G555-T557 VanDerWaalsContact O-N 3.14Å; T557-I559 WeakPolarHBondContact O-CD1 3.3Å; T557-I559 PolarHBondContact O-N 2.86Å
558	D	52.9	Low	73.7	Confident	107 Å²	107	74.8 Å²	74.8	57%	0.572	38%	0.375	S	S	*	.	S	Bend	trans	70.6	-35.5	169.2	-126.9	43.4	0	0	0	120.5	G560 R561	D558-G560 VanDerWaalsContact C-N 3.26Å; D558-G560 PolarHBondContact O-N 2.83Å; D558-R561 PolarHBondContact O-N 3.05Å; D558-R561 IonicContact OD1-CZ 3.94Å; D558-R561 IonicContact OD1-NH1 2.9Å; D558-R561 PolarHBondContact OD1-NH1 3.01Å
559	I	54	Low	74.4	Confident	120 Å²	120	72.1 Å²	72.1	62%	0.615	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-37	-172.1	-78.3	68.3	0	0	0	113.7	E556 T557	E556-I559 HydrophobicContact CG-CD1 4.31Å; T557-I559 WeakPolarHBondContact O-CD1 3.3Å; T557-I559 PolarHBondContact O-N 2.86Å
560	G	54.8	Low	75.1	Confident	9 Å²	9	70.9 Å²	70.9	9%	0.093	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	3.5	-171.5	0	0	0	0	0	117.6	F497 D558 K562	F497-G560 VanDerWaalsContact CE2-CA 3.43Å; D558-G560 VanDerWaalsContact C-N 3.26Å; D558-G560 PolarHBondContact O-N 2.83Å; G560-K562 PolarHBondContact O-N 2.89Å
561	R	60.1	Low	75.8	Confident	125 Å²	125	71 Å²	71	47%	0.472	35%	0.35	S	S	.	.	S	Bend	trans	-71.9	-8.3	-176.3	-67.7	-179.3	-178.7	144.1	-7.4	114.2	E551 D558	E551-R561 IonicContact OE1-CZ 3.01Å; E551-R561 IonicContact OE1-NE 2.72Å; E551-R561 IonicContact OE1-NH2 3.57Å; E551-R561 PolarHBondContact OE1-NH2 2.77Å; E551-R561 IonicContact OE2-NH2 2.89Å; D558-R561 PolarHBondContact O-N 3.05Å; D558-R561 IonicContact OD1-CZ 3.94Å; D558-R561 IonicContact OD1-NH1 2.9Å; D558-R561 PolarHBondContact OD1-NH1 3.01Å
562	K	68.3	Low	76.7	Confident	195 Å²	195	67.6 Å²	67.6	85%	0.848	33%	0.334	S	S	*	.	S	Bend	trans	-133.2	-13.5	-177.1	-65.2	173.4	-175.3	164.6	0	115.2	G560	G560-K562 PolarHBondContact O-N 2.89Å
563	N	74.9	Confident	77.8	Confident	63 Å²	63	61.6 Å²	61.6	34%	0.337	30%	0.302	S	S	.	.			trans	-91.8	108.1	178.4	-172.7	15	0	0	0	111.2	R565	N563-R565 PolarHBondContact OD1-N 2.81Å; N563-R565 VanDerWaalsContact OD1-N 3.09Å; N563-R565 PolarHBondContact OD1-O 3.25Å
564	T	88.7	Confident	79.1	Confident	42 Å²	42	55.2 Å²	55.2	26%	0.258	28%	0.278	S	S	.	.			trans	-107.2	6.8	179.8	51.6	0	0	0	0	112.8	E592 C593	T564-E592 VanDerWaalsContact CB-OE1 3.23Å; T564-E592 WeakPolarHBondContact CB-OE1 3.23Å; T564-E592 VanDerWaalsContact OG1-CD 3.26Å; T564-E592 PolarHBondContact OG1-OE1 2.87Å; T564-E592 PolarHBondContact OG1-OE2 3.02Å; T564-C593 WeakPolarHBondContact O-CB 3.36Å; T564-C593 PolarHBondContact O-N 2.8Å
565	R	91.4	Very high	80.5	Confident	108 Å²	108	52.8 Å²	52.8	41%	0.408	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.7	177.2	-60.9	-168.7	76	170.8	4.5	111.6	A487 N563 P590 V591 E592	A487-R565 HydrophobicContact CB-CB 3.91Å; A487-R565 WeakPolarHBondContact CB-O 3.35Å; N563-R565 PolarHBondContact OD1-N 2.81Å; N563-R565 VanDerWaalsContact OD1-N 3.09Å; N563-R565 PolarHBondContact OD1-O 3.25Å; R565-P590 PolarHBondContact NH2-O 2.75Å; R565-V591 VanDerWaalsContact CA-O 3.32Å; R565-V591 WeakPolarHBondContact CA-O 3.41Å; R565-E592 HydrophobicContact CG-CB 4.25Å; R565-E592 WeakPolarHBondContact CG-OE2 3.44Å
566	V	95.5	Very high	82.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	171.9	179	-52.6	0	0	0	0	110.5	I484 G485 Y498 I542 P590 V591	I484-V566 HydrophobicContact CG2-CB 3.61Å; I484-V566 HydrophobicContact CG2-CG1 3.82Å; I484-V566 HydrophobicContact CG2-CG2 3.81Å; G485-V566 CarbonylContact O-C 3.54Å; G485-V566 WeakPolarHBondContact O-CA 3.39Å; G485-V566 WeakPolarHBondContact O-CB 3.34Å; Y498-V566 HydrophobicContact CD2-CG1 3.34Å; Y498-V566 HydrophobicContact CE2-CG1 3.93Å; Y498-V566 HydrophobicContact CG-CG1 3.77Å; I542-V566 HydrophobicContact CD1-CG2 4.06Å; V566-P590 CarbonylContact O-C 3.52Å; V566-P590 VanDerWaalsContact O-CA 3.26Å; V566-P590 WeakPolarHBondContact O-CA 3.24Å; V566-V591 HydrophobicContact CG2-CB 4.23Å; V566-V591 PolarHBondContact N-O 3.23Å; V566-V591 PolarHBondContact O-N 3.36Å
567	R	96.5	Very high	83.7	Confident	28 Å²	28	55.6 Å²	55.6	11%	0.106	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	149.9	159.6	-72.7	175	-171.4	-121.3	14.6	109.7	G485 A487 D489 S588 P590	G485-R567 PolarHBondContact N-O 3Å; G485-R567 PolarHBondContact O-N 2.99Å; A487-R567 PolarHBondContact O-NE 3.26Å; A487-R567 PolarHBondContact O-NH2 2.85Å; A487-R567 VanDerWaalsContact O-NH2 3.16Å; D489-R567 IonicContact OD1-CZ 2.78Å; D489-R567 IonicContact OD1-NE 3.57Å; D489-R567 IonicContact OD1-NH1 3.48Å; D489-R567 PolarHBondContact OD1-NH1 2.84Å; D489-R567 IonicContact OD1-NH2 3.49Å; D489-R567 PolarHBondContact OD1-NH2 3.21Å; D489-R567 IonicContact OD2-CZ 3.37Å; D489-R567 IonicContact OD2-NH1 2.74Å; D489-R567 IonicContact OD2-NH2 3.18Å; D489-R567 PolarHBondContact OD2-NH2 3.13Å; R567-S588 VanDerWaalsContact CD-O 3.3Å; R567-S588 WeakPolarHBondContact CD-O 3.38Å; R567-S588 WeakPolarHBondContact CG-O 3.46Å; R567-S588 PolarHBondContact NH1-O 3.47Å; R567-P590 HydrophobicContact CG-CB 4.4Å
568	V	97.9	Very high	85.4	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	125.4	159.9	-178.9	0	0	0	0	107	M482 I484 F570 S588	M482-V568 HydrophobicContact CE-CG1 3.54Å; M482-V568 HydrophobicContact CE-CG2 4.18Å; M482-V568 HydrophobicContact CG-CG1 3.72Å; M482-V568 HydrophobicContact SD-CG1 3.78Å; I484-V568 HydrophobicContact CD1-CG2 4.13Å; V568-F570 HydrophobicContact CB-CE2 4.1Å; V568-F570 HydrophobicContact CB-CZ 4.25Å; V568-F570 HydrophobicContact CG1-CD1 4.32Å; V568-F570 HydrophobicContact CG1-CD2 4.09Å; V568-F570 HydrophobicContact CG1-CE1 3.73Å; V568-F570 HydrophobicContact CG1-CE2 3.47Å; V568-F570 VanDerWaalsContact CG1-CE2 3.47Å; V568-F570 HydrophobicContact CG1-CG 4.49Å; V568-F570 HydrophobicContact CG1-CZ 3.27Å; V568-S588 PolarHBondContact N-OG 2.72Å; V568-S588 PolarHBondContact O-N 3.11Å; V568-S588 PolarHBondContact O-OG 3.31Å
569	V	98.1	Very high	87.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128	178.1	-171.7	0	0	0	0	108.4	M482 F483 L492 Q585 A587	M482-V569 VanDerWaalsContact CA-O 3.32Å; M482-V569 WeakPolarHBondContact CA-O 3.22Å; F483-V569 HydrophobicContact CD1-CB 4.08Å; F483-V569 HydrophobicContact CD1-CG1 4.33Å; F483-V569 HydrophobicContact CD2-CB 4.21Å; F483-V569 HydrophobicContact CD2-CG2 4.47Å; F483-V569 HydrophobicContact CE1-CB 3.76Å; F483-V569 HydrophobicContact CE1-CG1 3.56Å; F483-V569 HydrophobicContact CE2-CB 3.89Å; F483-V569 HydrophobicContact CE2-CG1 4.19Å; F483-V569 HydrophobicContact CE2-CG2 4.04Å; F483-V569 HydrophobicContact CG-CB 4.3Å; F483-V569 HydrophobicContact CZ-CB 3.67Å; F483-V569 HydrophobicContact CZ-CG1 3.49Å; F483-V569 VanDerWaalsContact CZ-CG1 3.49Å; F483-V569 HydrophobicContact CZ-CG2 4.18Å; F483-V569 PolarHBondContact N-O 3.1Å; F483-V569 PolarHBondContact O-N 3.28Å; L492-V569 HydrophobicContact CD1-CG2 3.76Å; L492-V569 HydrophobicContact CD2-CG1 4.06Å; L492-V569 HydrophobicContact CD2-CG2 4.08Å; L492-V569 HydrophobicContact CG-CG2 4.09Å; V569-Q585 HydrophobicContact CG1-CG 3.66Å; V569-A587 HydrophobicContact CG2-CB 4.49Å
570	F	98.4	Very high	89.1	Confident	1 Å²	1	52.7 Å²	52.7	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.1	-178.6	-65.7	-70.6	0	0	0	109.6	L435 I437 V468 L480 Q481 M482 I537 V568 Q585 A586	L435-F570 HydrophobicContact CD2-CB 4.32Å; L435-F570 WeakPolarHBondContact CD2-O 3.26Å; I437-F570 HydrophobicContact CD1-CD2 3.74Å; I437-F570 HydrophobicContact CD1-CE2 4.04Å; I437-F570 HydrophobicContact CG1-CD2 3.92Å; I437-F570 HydrophobicContact CG1-CE2 4.27Å; V468-F570 HydrophobicContact CG1-CB 4.24Å; V468-F570 HydrophobicContact CG1-CG 4.21Å; V468-F570 HydrophobicContact CG2-CD1 3.84Å; V468-F570 HydrophobicContact CG2-CD2 3.67Å; V468-F570 HydrophobicContact CG2-CE1 3.7Å; V468-F570 HydrophobicContact CG2-CE2 3.5Å; V468-F570 HydrophobicContact CG2-CG 3.81Å; V468-F570 HydrophobicContact CG2-CZ 3.51Å; L480-F570 HydrophobicContact CD1-CB 4.09Å; L480-F570 HydrophobicContact CD1-CD1 4.42Å; L480-F570 HydrophobicContact CD2-CD1 4.05Å; L480-F570 HydrophobicContact CG-CD1 4.32Å; Q481-F570 CarbonylContact O-C 3.51Å; Q481-F570 WeakPolarHBondContact O-CA 3.4Å; M482-F570 HydrophobicContact CB-CD1 4.04Å; M482-F570 HydrophobicContact CB-CE1 4.1Å; M482-F570 HydrophobicContact CG-CD1 4.17Å; M482-F570 HydrophobicContact CG-CE1 3.87Å; M482-F570 HydrophobicContact SD-CE1 3.68Å; M482-F570 HydrophobicContact SD-CZ 4.25Å; I537-F570 HydrophobicContact CD1-CE1 4.1Å; I537-F570 HydrophobicContact CG1-CE1 3.9Å; I537-F570 HydrophobicContact CG1-CZ 4Å; I537-F570 HydrophobicContact CG2-CE1 4.39Å; V568-F570 HydrophobicContact CB-CE2 4.1Å; V568-F570 HydrophobicContact CB-CZ 4.25Å; V568-F570 HydrophobicContact CG1-CD1 4.32Å; V568-F570 HydrophobicContact CG1-CD2 4.09Å; V568-F570 HydrophobicContact CG1-CE1 3.73Å; V568-F570 HydrophobicContact CG1-CE2 3.47Å; V568-F570 VanDerWaalsContact CG1-CE2 3.47Å; V568-F570 HydrophobicContact CG1-CG 4.49Å; V568-F570 HydrophobicContact CG1-CZ 3.27Å; F570-Q585 CarbonylContact O-C 3.53Å; F570-Q585 VanDerWaalsContact O-CA 3.29Å; F570-Q585 WeakPolarHBondContact O-CA 3.46Å; F570-A586 PolarHBondContact N-O 3.47Å; F570-A586 PolarHBondContact O-N 3.27Å
571	R	97.7	Very high	91.1	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	142.1	-174.8	175.7	169.1	141.4	170.1	-12.6	111.8	P420 P421 L480 Q481 H573 L584 Q585	P420-R571 PolarHBondContact O-NH1 3.3Å; P420-R571 PolarHBondContact O-NH2 3.16Å; P421-R571 PolarHBondContact O-NH1 3.25Å; L480-R571 CarbonylContact C-O 3.54Å; L480-R571 WeakPolarHBondContact CA-O 3.4Å; Q481-R571 HydrophobicContact CB-CB 4.37Å; Q481-R571 PolarHBondContact N-O 2.78Å; Q481-R571 PolarHBondContact O-N 3.37Å; R571-H573 PolarHBondContact NE-CE1 3.01Å; R571-H573 VanDerWaalsContact NE-CE1 3.32Å; R571-H573 PolarHBondContact NE-NE2 3.01Å; R571-H573 PolarHBondContact NH2-CE1 2.96Å; R571-H573 VanDerWaalsContact NH2-CE1 3.25Å; R571-H573 PolarHBondContact NH2-NE2 2.9Å; R571-L584 CarbonylContact C-O 3.54Å; R571-L584 VanDerWaalsContact CA-O 3.24Å; R571-L584 WeakPolarHBondContact CA-O 3.24Å; R571-L584 WeakPolarHBondContact CG-O 2.91Å; R571-Q585 HydrophobicContact CB-CB 4.43Å; R571-Q585 HydrophobicContact CB-CG 4.29Å; R571-Q585 HydrophobicContact CG-CB 4.48Å
572	V	98.3	Very high	92.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.5	178	-64.2	0	0	0	0	111.3	L435 L470 L480 L527 I574 S583 L584	L435-V572 HydrophobicContact CB-CG2 4.38Å; L435-V572 HydrophobicContact CD1-CG1 3.8Å; L435-V572 HydrophobicContact CD1-CG2 4.28Å; L435-V572 HydrophobicContact CD2-CG1 4.31Å; L435-V572 HydrophobicContact CD2-CG2 4.23Å; L470-V572 HydrophobicContact CD1-CG2 4.39Å; L470-V572 HydrophobicContact CD2-CG2 4.34Å; L480-V572 HydrophobicContact CB-CG1 4.4Å; L480-V572 HydrophobicContact CD1-CG1 3.61Å; L527-V572 HydrophobicContact CD1-CG1 3.92Å; V572-I574 HydrophobicContact CG2-CD1 4.24Å; V572-I574 HydrophobicContact CG2-CG1 4.03Å; V572-S583 WeakPolarHBondContact O-CA 3.18Å; V572-L584 HydrophobicContact CG2-CB 3.95Å; V572-L584 PolarHBondContact N-O 3.03Å; V572-L584 PolarHBondContact O-N 3.17Å; V572-L584 VanDerWaalsContact O-N 3.11Å
573	H	97.6	Very high	94.3	Very high	25 Å²	25	37.5 Å²	37.5	12%	0.116	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	100.5	173.9	-69	-61	0	0	0	109.3	Q481 R571 P575 L582 S583	Q481-H573 PolarHBondContact OE1-NE2 3.48Å; R571-H573 PolarHBondContact NE-CE1 3.01Å; R571-H573 VanDerWaalsContact NE-CE1 3.32Å; R571-H573 PolarHBondContact NE-NE2 3.01Å; R571-H573 PolarHBondContact NH2-CE1 2.96Å; R571-H573 VanDerWaalsContact NH2-CE1 3.25Å; R571-H573 PolarHBondContact NH2-NE2 2.9Å; H573-P575 WeakPolarHBondContact O-CD 3.4Å; H573-L582 CarbonylContact C-O 3.59Å; H573-L582 WeakPolarHBondContact CA-O 3.37Å; H573-S583 PolarHBondContact CE1-OG 3.15Å; H573-S583 VanDerWaalsContact CE1-OG 3.24Å; H573-S583 WeakPolarHBondContact ND1-CB 3.48Å; H573-S583 PolarHBondContact ND1-OG 2.92Å
574	I	97.2	Very high	95.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116	-173.5	-49.8	171.8	0	0	0	108.6	Y433 L470 Y473 V572 V581 L582 L584	Y433-I574 HydrophobicContact CD1-CD1 4.26Å; Y433-I574 HydrophobicContact CG-CD1 4.19Å; L470-I574 HydrophobicContact CD1-CD1 3.67Å; L470-I574 HydrophobicContact CD2-CD1 3.82Å; L470-I574 HydrophobicContact CD2-CG1 3.89Å; L470-I574 HydrophobicContact CG-CD1 4.38Å; Y473-I574 HydrophobicContact CD1-CG2 4.08Å; Y473-I574 HydrophobicContact CD2-CG2 3.73Å; Y473-I574 HydrophobicContact CE1-CG2 4.2Å; Y473-I574 HydrophobicContact CE2-CG2 3.88Å; Y473-I574 HydrophobicContact CG-CG2 3.82Å; V572-I574 HydrophobicContact CG2-CD1 4.24Å; V572-I574 HydrophobicContact CG2-CG1 4.03Å; I574-V581 CarbonylContact O-C 3.53Å; I574-V581 WeakPolarHBondContact O-CA 3.34Å; I574-L582 HydrophobicContact CB-CB 4.29Å; I574-L582 HydrophobicContact CD1-CD2 4.22Å; I574-L582 HydrophobicContact CD1-CG 4.46Å; I574-L582 PolarHBondContact N-O 3.46Å; I574-L582 PolarHBondContact O-N 3.01Å; I574-L584 HydrophobicContact CD1-CD1 3.99Å; I574-L584 HydrophobicContact CD1-CG 4.47Å
575	P	95.6	Very high	95.8	Very high	71 Å²	71	33 Å²	33	46%	0.461	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141.8	175.4	-23.6	34.6	0	0	0	111.6	V478 H573	V478-P575 HydrophobicContact CG1-CG 4.48Å; H573-P575 WeakPolarHBondContact O-CD 3.4Å
576	Q	94.6	Very high	96.1	Very high	38 Å²	38	28.4 Å²	28.4	18%	0.178	17%	0.168	C	C	.	.			trans	-116.5	148	178.5	-60.5	-67	-82	0	0	110.1	N578 G579 K580 L582	Q576-N578 WeakPolarHBondContact CB-OD1 3.38Å; Q576-N578 PolarHBondContact O-N 3.02Å; Q576-G579 PolarHBondContact O-N 3.36Å; Q576-K580 WeakPolarHBondContact CB-O 3.23Å; Q576-K580 PolarHBondContact N-O 3.09Å; Q576-L582 HydrophobicContact CG-CB 4.03Å
577	P	91.2	Very high	96.2	Very high	141 Å²	141	29.8 Å²	29.8	92%	0.916	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.4	-177.2	-27.5	35.6	0	0	0	115.4	G579	P577-G579 VanDerWaalsContact C-N 3.32Å
578	N	90	Very high	96.2	Very high	103 Å²	103	28.5 Å²	28.5	55%	0.551	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	16.3	177.6	62.3	14.4	0	0	0	114.1	Q576 K580	Q576-N578 WeakPolarHBondContact CB-OD1 3.38Å; Q576-N578 PolarHBondContact O-N 3.02Å; N578-K580 PolarHBondContact O-N 3.04Å; N578-K580 VanDerWaalsContact OD1-CB 3.26Å; N578-K580 WeakPolarHBondContact OD1-CB 3.41Å; N578-K580 WeakPolarHBondContact OD1-CG 3.39Å; N578-K580 PolarHBondContact OD1-N 3.44Å
579	G	90.4	Very high	96.1	Very high	52 Å²	52	31.6 Å²	31.6	54%	0.536	19%	0.191	S	C	.	.	S	Bend	trans	73.8	6.9	179.4	0	0	0	0	0	115.1	Q576 P577	Q576-G579 PolarHBondContact O-N 3.36Å; P577-G579 VanDerWaalsContact C-N 3.32Å
580	K	94.8	Very high	95.9	Very high	99 Å²	99	33 Å²	33	43%	0.43	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	173.9	174.1	-58.2	-176.7	-173.8	177.6	0	110.8	I413 F414 Q576 N578	I413-K580 HydrophobicContact CG2-CB 3.62Å; I413-K580 HydrophobicContact CG2-CD 3.67Å; I413-K580 HydrophobicContact CG2-CG 4.28Å; F414-K580 CarbonylContact O-C 3.51Å; F414-K580 VanDerWaalsContact O-CA 3.31Å; F414-K580 WeakPolarHBondContact O-CA 3.37Å; F414-K580 VanDerWaalsContact O-CB 3.24Å; F414-K580 WeakPolarHBondContact O-CB 3.17Å; Q576-K580 WeakPolarHBondContact CB-O 3.23Å; Q576-K580 PolarHBondContact N-O 3.09Å; N578-K580 PolarHBondContact O-N 3.04Å; N578-K580 VanDerWaalsContact OD1-CB 3.26Å; N578-K580 WeakPolarHBondContact OD1-CB 3.41Å; N578-K580 WeakPolarHBondContact OD1-CG 3.39Å; N578-K580 PolarHBondContact OD1-N 3.44Å
581	V	96.5	Very high	95.7	Very high	9 Å²	9	33 Å²	33	6%	0.055	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.6	172.4	-69.9	0	0	0	0	111	I413 F414 T416 L419 I574	I413-V581 CarbonylContact C-O 3.55Å; I413-V581 WeakPolarHBondContact CA-O 3.4Å; F414-V581 HydrophobicContact CB-CG2 4.25Å; F414-V581 PolarHBondContact N-O 3.39Å; F414-V581 PolarHBondContact O-N 3.05Å; T416-V581 HydrophobicContact CG2-CG1 3.79Å; L419-V581 HydrophobicContact CD2-CG2 3.74Å; I574-V581 CarbonylContact O-C 3.53Å; I574-V581 WeakPolarHBondContact O-CA 3.34Å
582	L	96.8	Very high	95.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	130.6	168.4	168.2	61.8	0	0	0	108.7	P412 I413 F430 Y433 H573 I574 Q576 L584	P412-L582 HydrophobicContact CB-CD1 4.24Å; P412-L582 HydrophobicContact CG-CD1 3.67Å; P412-L582 CarbonylContact O-C 3.59Å; P412-L582 WeakPolarHBondContact O-CA 3.32Å; I413-L582 HydrophobicContact CG1-CD1 4.31Å; F430-L582 HydrophobicContact CB-CD1 3.93Å; F430-L582 HydrophobicContact CB-CD2 4.48Å; F430-L582 HydrophobicContact CD1-CD1 3.63Å; F430-L582 HydrophobicContact CD1-CD2 4.14Å; F430-L582 HydrophobicContact CE1-CD1 4.44Å; F430-L582 HydrophobicContact CG-CD1 3.96Å; Y433-L582 HydrophobicContact CD2-CD2 3.26Å; Y433-L582 HydrophobicContact CE2-CD2 3.9Å; Y433-L582 HydrophobicContact CG-CD2 3.89Å; H573-L582 CarbonylContact C-O 3.59Å; H573-L582 WeakPolarHBondContact CA-O 3.37Å; I574-L582 HydrophobicContact CB-CB 4.29Å; I574-L582 HydrophobicContact CD1-CD2 4.22Å; I574-L582 HydrophobicContact CD1-CG 4.46Å; I574-L582 PolarHBondContact N-O 3.46Å; I574-L582 PolarHBondContact O-N 3.01Å; Q576-L582 HydrophobicContact CG-CB 4.03Å; L582-L584 HydrophobicContact CD1-CD2 4.22Å; L582-L584 HydrophobicContact CG-CD2 4.47Å; L582-L584 HydrophobicContact CG-CG 4.43Å
583	S	97.8	Very high	95.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.8	-175.2	-50.1	0	0	0	0	111.7	P412 F414 V572 H573	P412-S583 WeakPolarHBondContact CB-O 3.44Å; P412-S583 PolarHBondContact O-N 2.98Å; F414-S583 VanDerWaalsContact CD2-OG 3.28Å; F414-S583 WeakPolarHBondContact CD2-OG 3.46Å; V572-S583 WeakPolarHBondContact O-CA 3.18Å; H573-S583 PolarHBondContact CE1-OG 3.15Å; H573-S583 VanDerWaalsContact CE1-OG 3.24Å; H573-S583 WeakPolarHBondContact ND1-CB 3.48Å; H573-S583 PolarHBondContact ND1-OG 2.92Å
584	L	98	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.1	179.2	-58.6	179.9	0	0	0	110.9	P427 F430 Y433 L435 L470 R571 V572 I574 L582	P427-L584 HydrophobicContact CG-CD2 4.36Å; P427-L584 CarbonylContact O-C 3.6Å; P427-L584 VanDerWaalsContact O-CA 3.26Å; P427-L584 WeakPolarHBondContact O-CA 3.38Å; F430-L584 HydrophobicContact CB-CD2 3.77Å; Y433-L584 WeakPolarHBondContact O-CD1 3.49Å; L435-L584 HydrophobicContact CB-CB 3.98Å; L435-L584 HydrophobicContact CB-CD1 4.5Å; L470-L584 HydrophobicContact CD1-CD1 4.32Å; R571-L584 CarbonylContact C-O 3.54Å; R571-L584 VanDerWaalsContact CA-O 3.24Å; R571-L584 WeakPolarHBondContact CA-O 3.24Å; R571-L584 WeakPolarHBondContact CG-O 2.91Å; V572-L584 HydrophobicContact CG2-CB 3.95Å; V572-L584 PolarHBondContact N-O 3.03Å; V572-L584 PolarHBondContact O-N 3.17Å; V572-L584 VanDerWaalsContact O-N 3.11Å; I574-L584 HydrophobicContact CD1-CD1 3.99Å; I574-L584 HydrophobicContact CD1-CG 4.47Å; L582-L584 HydrophobicContact CD1-CD2 4.22Å; L582-L584 HydrophobicContact CG-CD2 4.47Å; L582-L584 HydrophobicContact CG-CG 4.43Å
585	Q	97.6	Very high	93.6	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.2	-176.9	-172.9	169.3	-90.3	0	0	111.9	L426 P427 S428 V569 F570 R571	L426-Q585 HydrophobicContact CB-CB 3.68Å; L426-Q585 HydrophobicContact CD1-CB 4.47Å; P427-Q585 CarbonylContact C-O 3.53Å; P427-Q585 PolarHBondContact O-N 3.49Å; S428-Q585 WeakPolarHBondContact CA-O 3.27Å; S428-Q585 WeakPolarHBondContact CB-O 3.48Å; S428-Q585 PolarHBondContact N-O 3.19Å; V569-Q585 HydrophobicContact CG1-CG 3.66Å; F570-Q585 CarbonylContact O-C 3.53Å; F570-Q585 VanDerWaalsContact O-CA 3.29Å; F570-Q585 WeakPolarHBondContact O-CA 3.46Å; R571-Q585 HydrophobicContact CB-CB 4.43Å; R571-Q585 HydrophobicContact CB-CG 4.29Å; R571-Q585 HydrophobicContact CG-CB 4.48Å
586	A	97.5	Very high	91.9	Very high	12 Å²	12	45.7 Å²	45.7	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.3	176.8	0	0	0	0	0	110.1	L435 I437 F570	L435-A586 HydrophobicContact CD2-CB 4.18Å; L435-A586 HydrophobicContact CG-CB 4.18Å; I437-A586 HydrophobicContact CD1-CB 4.29Å; I437-A586 HydrophobicContact CG1-CB 4.15Å; F570-A586 PolarHBondContact N-O 3.47Å; F570-A586 PolarHBondContact O-N 3.27Å
587	A	97.4	Very high	90.1	Very high	30 Å²	30	45.3 Å²	45.3	25%	0.248	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.9	178.3	0	0	0	0	0	110.8	I437 L492 V569	I437-A587 VanDerWaalsContact CD1-C 3.48Å; I437-A587 WeakPolarHBondContact CD1-O 3.17Å; L492-A587 HydrophobicContact CD1-CB 4.2Å; L492-A587 HydrophobicContact CD2-CB 3.84Å; V569-A587 HydrophobicContact CG2-CB 4.49Å
588	S	97.3	Very high	88.3	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-68	172.5	176.9	75	0	0	0	0	112.5	Q440 R567 V568	Q440-S588 VanDerWaalsContact OE1-CA 3.29Å; R567-S588 VanDerWaalsContact CD-O 3.3Å; R567-S588 WeakPolarHBondContact CD-O 3.38Å; R567-S588 WeakPolarHBondContact CG-O 3.46Å; R567-S588 PolarHBondContact NH1-O 3.47Å; V568-S588 PolarHBondContact N-OG 2.72Å; V568-S588 PolarHBondContact O-N 3.11Å; V568-S588 PolarHBondContact O-OG 3.31Å
589	I	94.4	Very high	86.5	Confident	66 Å²	66	42 Å²	42	34%	0.338	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-57.5	154.9	158.7	65.9	170.8	0	0	0	111	Q440 P441 A443 V591	Q440-I589 HydrophobicContact CB-CG1 4.49Å; Q440-I589 HydrophobicContact CG-CG2 4.34Å; P441-I589 HydrophobicContact CG-CG1 4.46Å; P441-I589 WeakPolarHBondContact O-CD1 3.12Å; A443-I589 HydrophobicContact CB-CD1 4.43Å; I589-V591 PolarHBondContact O-N 3.35Å
590	P	94.1	Very high	85.3	Confident	30 Å²	30	43.5 Å²	43.5	20%	0.195	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-72.1	117.5	-179.2	-10.7	23.6	0	0	0	112.7	A487 R565 V566 R567	A487-P590 HydrophobicContact CB-CB 4.12Å; R565-P590 PolarHBondContact NH2-O 2.75Å; V566-P590 CarbonylContact O-C 3.52Å; V566-P590 VanDerWaalsContact O-CA 3.26Å; V566-P590 WeakPolarHBondContact O-CA 3.24Å; R567-P590 HydrophobicContact CG-CB 4.4Å
591	V	94.6	Very high	84.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.9	178.4	-174.4	0	0	0	0	109.6	P441 H445 I542 R565 V566 I589	P441-V591 HydrophobicContact CB-CG2 4.19Å; P441-V591 HydrophobicContact CG-CG2 3.91Å; H445-V591 HydrophobicContact CB-CG1 3.79Å; I542-V591 HydrophobicContact CD1-CG1 4.36Å; R565-V591 VanDerWaalsContact CA-O 3.32Å; R565-V591 WeakPolarHBondContact CA-O 3.41Å; V566-V591 HydrophobicContact CG2-CB 4.23Å; V566-V591 PolarHBondContact N-O 3.23Å; V566-V591 PolarHBondContact O-N 3.36Å; I589-V591 PolarHBondContact O-N 3.35Å
592	E	92.1	Very high	84.5	Confident	20 Å²	20	41.3 Å²	41.3	9%	0.093	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.1	170.6	171.6	50.9	-129.2	0	0	110.3	A443 H444 H445 T564 R565 S594 S597 A598	A443-E592 PolarHBondContact O-N 3.35Å; H444-E592 WeakPolarHBondContact CA-O 3.33Å; H444-E592 PolarHBondContact ND1-O 3Å; H445-E592 PolarHBondContact N-O 3.39Å; T564-E592 VanDerWaalsContact CB-OE1 3.23Å; T564-E592 WeakPolarHBondContact CB-OE1 3.23Å; T564-E592 VanDerWaalsContact OG1-CD 3.26Å; T564-E592 PolarHBondContact OG1-OE1 2.87Å; T564-E592 PolarHBondContact OG1-OE2 3.02Å; R565-E592 HydrophobicContact CG-CB 4.25Å; R565-E592 WeakPolarHBondContact CG-OE2 3.44Å; E592-S594 WeakPolarHBondContact OE1-CB 3.21Å; E592-S594 PolarHBondContact OE1-N 2.86Å; E592-S594 PolarHBondContact OE1-OG 3.14Å; E592-S597 VanDerWaalsContact CD-OG 3.28Å; E592-S597 WeakPolarHBondContact CG-OG 3.46Å; E592-S597 PolarHBondContact OE1-OG 3.47Å; E592-A598 HydrophobicContact CB-CB 4.3Å; E592-A598 HydrophobicContact CG-CB 3.83Å
593	C	93.2	Very high	84.1	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.02	23%	0.23	C	C	.	.			trans	-112.1	-6.4	-169.2	-74.7	0	0	0	0	116.1	H445 A447 Y498 T564	H445-C593 WeakPolarHBondContact O-CA 3.4Å; A447-C593 HydrophobicContact CB-CB 3.84Å; A447-C593 PolarHBondContact N-O 2.94Å; A447-C593 VanDerWaalsContact N-O 3.09Å; Y498-C593 HydrophobicContact CD1-CB 4.44Å; Y498-C593 HydrophobicContact CE1-CB 3.68Å; T564-C593 WeakPolarHBondContact O-CB 3.36Å; T564-C593 PolarHBondContact O-N 2.8Å
594	S	86.4	Confident	83.9	Confident	28 Å²	28	47 Å²	47	20%	0.196	24%	0.237	C	C	.	.			trans	-81.7	147.3	-179	70.6	0	0	0	0	113.4	H444 E592 R596 S597	H444-S594 PolarHBondContact CE1-O 2.84Å; H444-S594 VanDerWaalsContact CE1-O 3.26Å; E592-S594 WeakPolarHBondContact OE1-CB 3.21Å; E592-S594 PolarHBondContact OE1-N 2.86Å; E592-S594 PolarHBondContact OE1-OG 3.14Å; S594-R596 PolarHBondContact O-N 2.85Å; S594-S597 PolarHBondContact OG-OG 2.9Å
595	Q	75.3	Confident	83.6	Confident	112 Å²	112	52.3 Å²	52.3	52%	0.523	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.4	-179.6	179.8	-177.6	4.3	0	0	114.3
596	R	60.9	Low	83.3	Confident	204 Å²	204	58.5 Å²	58.5	77%	0.77	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.2	0.4	-158.6	-58.5	-174.1	-172.7	-92.9	4.5	116.3	S594	S594-R596 PolarHBondContact O-N 2.85Å
597	S	56.3	Low	83.2	Confident	31 Å²	31	58.7 Å²	58.7	22%	0.217	29%	0.289	C	S	.	.	S	Bend	trans	-111.2	-60.7	-173.8	64.7	0	0	0	0	113.8	E592 S594 Q599 L601	E592-S597 VanDerWaalsContact CD-OG 3.28Å; E592-S597 WeakPolarHBondContact CG-OG 3.46Å; E592-S597 PolarHBondContact OE1-OG 3.47Å; S594-S597 PolarHBondContact OG-OG 2.9Å; S597-Q599 PolarHBondContact O-N 3.16Å; S597-L601 WeakPolarHBondContact O-CD1 3.3Å; S597-L601 VanDerWaalsContact O-CG 3.29Å; S597-L601 WeakPolarHBondContact O-CG 3.41Å; S597-L601 PolarHBondContact O-N 2.9Å
598	A	52.5	Low	83.1	Confident	26 Å²	26	61.8 Å²	61.8	22%	0.215	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-34.5	-165.3	0	0	0	0	0	115.3	H444 E592 E600 N626	H444-A598 HydrophobicContact CB-CB 3.67Å; H444-A598 VanDerWaalsContact CG-CB 3.47Å; E592-A598 HydrophobicContact CB-CB 4.3Å; E592-A598 HydrophobicContact CG-CB 3.83Å; A598-E600 PolarHBondContact O-N 2.59Å; A598-N626 PolarHBondContact O-ND2 2.83Å
599	Q	53.1	Low	83	Confident	147 Å²	147	63.7 Å²	63.7	69%	0.687	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.7	-169.1	-163.2	164.5	-5.6	0	0	114.2	S597	S597-Q599 PolarHBondContact O-N 3.16Å
600	E	64.4	Low	83	Confident	84 Å²	84	64.8 Å²	64.8	39%	0.393	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.3	-9.6	177.9	-57	-166.4	93.7	0	0	114.2	A598 N686 K690	A598-E600 PolarHBondContact O-N 2.59Å; E600-N686 PolarHBondContact O-ND2 2.76Å; E600-K690 HydrophobicContact CB-CD 4.01Å; E600-K690 IonicContact OE1-NZ 2.67Å; E600-K690 PolarHBondContact OE1-NZ 2.73Å; E600-K690 WeakPolarHBondContact OE2-CE 3.39Å; E600-K690 IonicContact OE2-NZ 2.9Å; E600-K690 PolarHBondContact OE2-NZ 2.97Å
601	L	84.6	Confident	83.1	Confident	61 Å²	61	65.4 Å²	65.4	32%	0.319	33%	0.327	S	S	.	.	S	Bend	trans	-77.4	128.6	172.3	-72.6	170.5	0	0	0	109	S597 Q603 N626 K690	S597-L601 WeakPolarHBondContact O-CD1 3.3Å; S597-L601 VanDerWaalsContact O-CG 3.29Å; S597-L601 WeakPolarHBondContact O-CG 3.41Å; S597-L601 PolarHBondContact O-N 2.9Å; L601-Q603 PolarHBondContact O-N 3.16Å; L601-N626 VanDerWaalsContact O-CB 3.31Å; L601-N626 WeakPolarHBondContact O-CB 3.38Å; L601-N626 PolarHBondContact O-ND2 2.99Å; L601-K690 HydrophobicContact CD2-CB 3.93Å; L601-K690 HydrophobicContact CD2-CG 4.28Å
602	P	89.3	Confident	83.1	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.013	33%	0.328	C	S	.	.			trans	-67.2	135.2	173.1	29.3	-31	0	0	0	108.8	S625 F627 V684 N686 S692	P602-S625 WeakPolarHBondContact CA-O 3.37Å; P602-F627 HydrophobicContact CB-CD1 3.84Å; P602-F627 HydrophobicContact CB-CE1 4.01Å; P602-V684 HydrophobicContact CB-CB 4.06Å; P602-V684 HydrophobicContact CB-CG1 3.77Å; P602-V684 HydrophobicContact CG-CB 4.19Å; P602-V684 HydrophobicContact CG-CG1 4.08Å; P602-V684 VanDerWaalsContact CG-O 3.27Å; P602-V684 WeakPolarHBondContact CG-O 2.99Å; P602-N686 WeakPolarHBondContact CD-ND2 3.39Å; P602-S692 WeakPolarHBondContact O-CA 3.28Å; P602-S692 WeakPolarHBondContact O-CB 3.12Å
603	Q	89.2	Confident	83.3	Confident	95 Å²	95	68.5 Å²	68.5	44%	0.444	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.8	176.7	178.6	177.3	-53.9	0	0	108.4	L601 E605 G624 S625 F627	L601-Q603 PolarHBondContact O-N 3.16Å; Q603-E605 HydrophobicContact CG-CG 4.39Å; Q603-G624 CarbonylContact O-C 3.48Å; Q603-G624 WeakPolarHBondContact O-CA 3.46Å; Q603-S625 PolarHBondContact N-O 2.98Å; Q603-S625 PolarHBondContact O-N 2.64Å; Q603-F627 WeakPolarHBondContact O-CE1 3.04Å; Q603-F627 WeakPolarHBondContact O-CZ 3.07Å
604	V	93.8	Very high	83.4	Confident	24 Å²	24	68.5 Å²	68.5	15%	0.145	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.2	171.5	-177.8	0	0	0	0	108.3	I622 F627 V684 Q695	V604-I622 HydrophobicContact CB-CG2 4.45Å; V604-I622 HydrophobicContact CG1-CG2 3.65Å; V604-I622 HydrophobicContact CG2-CG2 4Å; V604-F627 HydrophobicContact CG2-CZ 4.38Å; V604-V684 HydrophobicContact CG2-CB 4.26Å; V604-V684 HydrophobicContact CG2-CG2 3.52Å; V604-Q695 HydrophobicContact CB-CG 4.38Å; V604-Q695 HydrophobicContact CG1-CG 4.08Å
605	E	90.6	Very high	83.7	Confident	113 Å²	113	70 Å²	70	53%	0.528	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-32.5	-178.6	-68.3	166	-150.5	0	0	111.4	Q603 T623 S625	Q603-E605 HydrophobicContact CG-CG 4.39Å; E605-T623 PolarHBondContact N-O 3.05Å; E605-S625 WeakPolarHBondContact OE1-CB 3.27Å; E605-S625 PolarHBondContact OE1-OG 3.4Å
606	K	92.5	Very high	84.7	Confident	139 Å²	139	65.3 Å²	65.3	60%	0.604	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-156.8	151.5	178.3	-175.5	173.6	178.6	-175.8	0	111.5	T623	K606-T623 PolarHBondContact N-O 2.76Å; K606-T623 PolarHBondContact O-N 2.84Å
607	S	95.5	Very high	86.3	Confident	17 Å²	17	57.6 Å²	57.6	12%	0.119	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	154.3	155	55.9	0	0	0	0	110.5	L609 V621	S607-L609 WeakPolarHBondContact CB-O 3.44Å; S607-L609 PolarHBondContact OG-O 3.45Å; S607-V621 CarbonylContact C-O 3.59Å; S607-V621 VanDerWaalsContact CA-O 3.24Å; S607-V621 WeakPolarHBondContact CA-O 3.38Å
608	N	94.8	Very high	88.2	Confident	94 Å²	94	58.8 Å²	58.8	50%	0.503	32%	0.322	S	S	.	.	S	Bend	trans	-75.5	-28	170.6	70.5	-29.8	0	0	0	112.4	E619 M620 V621	N608-E619 PolarHBondContact ND2-O 3.09Å; N608-M620 WeakPolarHBondContact OD1-CA 3.34Å; N608-V621 HydrophobicContact CB-CB 4.18Å; N608-V621 PolarHBondContact N-O 3Å; N608-V621 PolarHBondContact OD1-N 2.8Å; N608-V621 PolarHBondContact OD1-O 3.1Å
609	L	94.9	Very high	90.3	Very high	42 Å²	42	61.8 Å²	61.8	22%	0.22	33%	0.331	C	S	.	.			trans	-119.5	143.9	-173	-161.7	66.4	0	0	0	110	S607 S611 C612 E618 M620 V666 F697	S607-L609 WeakPolarHBondContact CB-O 3.44Å; S607-L609 PolarHBondContact OG-O 3.45Å; L609-S611 WeakPolarHBondContact CD1-O 3.49Å; L609-C612 HydrophobicContact CD2-CB 4.13Å; L609-E618 HydrophobicContact CD2-CB 4.04Å; L609-M620 HydrophobicContact CB-CB 4.18Å; L609-M620 HydrophobicContact CB-CG 3.91Å; L609-M620 HydrophobicContact CB-SD 4.22Å; L609-M620 HydrophobicContact CD2-CB 4.3Å; L609-V666 HydrophobicContact CD2-CG2 4.09Å; L609-F697 HydrophobicContact CB-CE2 4.4Å; L609-F697 HydrophobicContact CD2-CE2 4.1Å; L609-F697 HydrophobicContact CD2-CZ 4.2Å; L609-F697 HydrophobicContact CG-CE2 4.02Å; L609-F697 HydrophobicContact CG-CZ 4.44Å
610	T	94.6	Very high	92.5	Very high	88 Å²	88	54.8 Å²	54.8	54%	0.54	30%	0.298	S	S	.	.	S	Bend	trans	-133.1	-10.2	-179.6	52.3	0	0	0	0	112.8	F697 T698	T610-F697 CarbonylContact O-C 3.5Å; T610-F697 WeakPolarHBondContact O-CA 3.28Å; T610-T698 PolarHBondContact O-N 2.93Å
611	S	96	Very high	94	Very high	44 Å²	44	52.8 Å²	52.8	31%	0.308	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	150.2	176	57.8	0	0	0	0	111.4	L609 T698	L609-S611 WeakPolarHBondContact CD1-O 3.49Å; S611-T698 CarbonylContact C-O 3.58Å; S611-T698 WeakPolarHBondContact CA-O 3.28Å; S611-T698 WeakPolarHBondContact CB-O 3.49Å
612	C	95.5	Very high	94.7	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	179.3	174.8	87.3	0	0	0	0	111.4	L609 E618 V666 F697 T698 Y699 L700	L609-C612 HydrophobicContact CD2-CB 4.13Å; C612-E618 HydrophobicContact CB-CB 4.43Å; C612-E618 HydrophobicContact CB-CG 4.2Å; C612-E618 VanDerWaalsContact CB-OE1 3.3Å; C612-E618 WeakPolarHBondContact CB-OE1 3.04Å; C612-E618 WeakPolarHBondContact CB-OE2 3.4Å; C612-E618 PolarHBondContact SG-OE2 3.07Å; C612-V666 VanDerWaalsContact SG-CG1 3.57Å; C612-F697 HydrophobicContact CB-CE1 4.2Å; C612-F697 HydrophobicContact CB-CZ 3.72Å; C612-T698 PolarHBondContact N-O 3.29Å; C612-T698 VanDerWaalsContact N-O 3.08Å; C612-Y699 CarbonylContact O-C 3.51Å; C612-Y699 WeakPolarHBondContact O-CA 3.27Å; C612-L700 WeakPolarHBondContact O-CB 3.46Å; C612-L700 WeakPolarHBondContact O-CG 3.45Å; C612-L700 PolarHBondContact O-N 3.24Å
613	L	95.1	Very high	95	Very high	78 Å²	78	52.2 Å²	52.2	41%	0.408	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	152.2	177.3	-68.2	175.7	0	0	0	111.6	S615 G616 E618 L700	L613-S615 WeakPolarHBondContact CB-OG 3.47Å; L613-S615 PolarHBondContact O-N 3.28Å; L613-G616 PolarHBondContact O-N 3.24Å; L613-E618 PolarHBondContact N-OE1 3.29Å; L613-L700 HydrophobicContact CD2-CB 4.38Å
614	V	95.3	Very high	95.1	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.018	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-16	174.4	-72.1	0	0	0	0	114.4	G616 Y669 V674 L700 V702	V614-G616 VanDerWaalsContact C-N 3.29Å; V614-Y669 HydrophobicContact CG1-CD1 4.05Å; V614-Y669 PolarHBondContact O-N 3.12Å; V614-V674 HydrophobicContact CG1-CG2 3.56Å; V614-L700 WeakPolarHBondContact CG1-O 3.38Å; V614-L700 PolarHBondContact N-O 3.27Å; V614-V702 HydrophobicContact CG2-CG2 3.96Å
615	S	94.3	Very high	94.9	Very high	61 Å²	61	48.4 Å²	48.4	43%	0.427	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.6	170.8	52.4	0	0	0	0	113.9	L613 P668	L613-S615 WeakPolarHBondContact CB-OG 3.47Å; L613-S615 PolarHBondContact O-N 3.28Å; S615-P668 WeakPolarHBondContact O-CA 3.18Å; S615-P668 VanDerWaalsContact O-CB 3.27Å; S615-P668 WeakPolarHBondContact O-CB 3.17Å; S615-P668 WeakPolarHBondContact O-CG 3.33Å
616	G	95	Very high	94.8	Very high	12 Å²	12	45.5 Å²	45.5	12%	0.124	26%	0.264	C	S	.	.			trans	60.1	-161.8	-163.8	0	0	0	0	0	112.6	L613 V614 E618 V666	L613-G616 PolarHBondContact O-N 3.24Å; V614-G616 VanDerWaalsContact C-N 3.29Å; G616-E618 VanDerWaalsContact CA-OE2 3.3Å; G616-E618 WeakPolarHBondContact CA-OE2 3.37Å; G616-V666 WeakPolarHBondContact CA-O 3.39Å
617	G	95.2	Very high	94.7	Very high	42 Å²	42	40 Å²	40	43%	0.433	24%	0.241	S	C	.	.			trans	97.4	-12.2	179.7	0	0	0	0	0	114.6	V666	G617-V666 PolarHBondContact N-O 2.83Å
618	E	96.4	Very high	94.4	Very high	57 Å²	57	43.5 Å²	43.5	27%	0.266	25%	0.253	S	S	.	.			trans	-74.4	146.4	178.8	-56	94	147.7	0	0	112.4	L609 C612 L613 G616 M620 V666	L609-E618 HydrophobicContact CD2-CB 4.04Å; C612-E618 HydrophobicContact CB-CB 4.43Å; C612-E618 HydrophobicContact CB-CG 4.2Å; C612-E618 VanDerWaalsContact CB-OE1 3.3Å; C612-E618 WeakPolarHBondContact CB-OE1 3.04Å; C612-E618 WeakPolarHBondContact CB-OE2 3.4Å; C612-E618 PolarHBondContact SG-OE2 3.07Å; L613-E618 PolarHBondContact N-OE1 3.29Å; G616-E618 VanDerWaalsContact CA-OE2 3.3Å; G616-E618 WeakPolarHBondContact CA-OE2 3.37Å; E618-M620 PolarHBondContact O-N 2.9Å; E618-V666 WeakPolarHBondContact O-CG2 3.42Å; E618-V666 PolarHBondContact O-N 3.41Å
619	E	97.1	Very high	94	Very high	88 Å²	88	43.8 Å²	43.8	41%	0.411	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.2	179.4	-64.3	-166.5	159	0	0	112.2	N608 I653 K656 V664	N608-E619 PolarHBondContact ND2-O 3.09Å; E619-I653 HydrophobicContact CG-CD1 3.87Å; E619-I653 VanDerWaalsContact OE1-CD1 3.25Å; E619-I653 WeakPolarHBondContact OE1-CD1 3.42Å; E619-K656 IonicContact OE1-NZ 2.74Å; E619-K656 PolarHBondContact OE1-NZ 3.43Å; E619-K656 IonicContact OE2-NZ 2.64Å; E619-K656 PolarHBondContact OE2-NZ 3.3Å; E619-V664 CarbonylContact C-O 3.56Å; E619-V664 WeakPolarHBondContact CA-O 3.25Å
620	M	97.5	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.8	171.7	-175.5	167.7	76.5	0	0	111.4	N608 L609 E618 I622 F635 V664 V666 F682 F697	N608-M620 WeakPolarHBondContact OD1-CA 3.34Å; L609-M620 HydrophobicContact CB-CB 4.18Å; L609-M620 HydrophobicContact CB-CG 3.91Å; L609-M620 HydrophobicContact CB-SD 4.22Å; L609-M620 HydrophobicContact CD2-CB 4.3Å; E618-M620 PolarHBondContact O-N 2.9Å; M620-I622 HydrophobicContact CE-CD1 3.77Å; M620-I622 HydrophobicContact CE-CG1 3.95Å; M620-I622 HydrophobicContact CG-CG1 4.18Å; M620-F635 HydrophobicContact CE-CE1 4.46Å; M620-F635 HydrophobicContact CE-CE2 3.92Å; M620-F635 HydrophobicContact CE-CZ 3.46Å; M620-F635 VanDerWaalsContact CE-CZ 3.46Å; M620-F635 HydrophobicContact SD-CZ 4.46Å; M620-V664 HydrophobicContact CB-CG2 3.99Å; M620-V664 HydrophobicContact CE-CG2 4.17Å; M620-V664 PolarHBondContact N-O 2.8Å; M620-V664 PolarHBondContact O-N 2.89Å; M620-V666 HydrophobicContact CB-CG2 3.66Å; M620-F682 HydrophobicContact CE-CD1 4.28Å; M620-F682 HydrophobicContact CE-CD2 3.89Å; M620-F682 HydrophobicContact CE-CE1 4.03Å; M620-F682 HydrophobicContact CE-CE2 3.63Å; M620-F682 HydrophobicContact CE-CG 4.2Å; M620-F682 HydrophobicContact CE-CZ 3.68Å; M620-F682 HydrophobicContact SD-CE1 4.22Å; M620-F682 HydrophobicContact SD-CE2 4.5Å; M620-F682 HydrophobicContact SD-CZ 3.99Å; M620-F697 HydrophobicContact SD-CD2 3.95Å; M620-F697 HydrophobicContact SD-CE2 3.83Å
621	V	97.4	Very high	93.8	Very high	42 Å²	42	44.1 Å²	44.1	26%	0.255	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125	172.6	-175.7	0	0	0	0	108.8	S607 N608 C661 V663	S607-V621 CarbonylContact C-O 3.59Å; S607-V621 VanDerWaalsContact CA-O 3.24Å; S607-V621 WeakPolarHBondContact CA-O 3.38Å; N608-V621 HydrophobicContact CB-CB 4.18Å; N608-V621 PolarHBondContact N-O 3Å; N608-V621 PolarHBondContact OD1-N 2.8Å; N608-V621 PolarHBondContact OD1-O 3.1Å; V621-C661 WeakPolarHBondContact CG1-SG 3.31Å; V621-V663 HydrophobicContact CG1-CG2 4.34Å; V621-V663 HydrophobicContact CG2-CG1 4.4Å; V621-V663 HydrophobicContact CG2-CG2 4.11Å
622	I	97.8	Very high	93.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	113.4	-177.9	-52	173.4	0	0	0	108.4	V604 M620 F627 V633 C661 I662 V664 F682 V684	V604-I622 HydrophobicContact CB-CG2 4.45Å; V604-I622 HydrophobicContact CG1-CG2 3.65Å; V604-I622 HydrophobicContact CG2-CG2 4Å; M620-I622 HydrophobicContact CE-CD1 3.77Å; M620-I622 HydrophobicContact CE-CG1 3.95Å; M620-I622 HydrophobicContact CG-CG1 4.18Å; I622-F627 HydrophobicContact CG2-CZ 4.23Å; I622-V633 HydrophobicContact CD1-CB 4.36Å; I622-V633 HydrophobicContact CD1-CG1 3.6Å; I622-V633 HydrophobicContact CD1-CG2 3.84Å; I622-C661 WeakPolarHBondContact O-CA 3.49Å; I622-I662 PolarHBondContact N-O 2.7Å; I622-I662 PolarHBondContact O-N 2.85Å; I622-V664 HydrophobicContact CD1-CG1 4.49Å; I622-V664 HydrophobicContact CD1-CG2 4.26Å; I622-F682 HydrophobicContact CD1-CD2 4.37Å; I622-F682 HydrophobicContact CD1-CE2 4Å; I622-F682 HydrophobicContact CG1-CE2 4.32Å; I622-V684 HydrophobicContact CG2-CG2 4.23Å
623	T	96.2	Very high	93.8	Very high	52 Å²	52	45.6 Å²	45.6	32%	0.319	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.2	178	-45.6	0	0	0	0	110.4	E605 K606 S660	E605-T623 PolarHBondContact N-O 3.05Å; K606-T623 PolarHBondContact N-O 2.76Å; K606-T623 PolarHBondContact O-N 2.84Å; T623-S660 CarbonylContact C-O 3.6Å; T623-S660 WeakPolarHBondContact CA-O 3Å
624	G	92.6	Very high	93.9	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	-155.3	-176.4	0	0	0	0	0	113.5	Q603 S660	Q603-G624 CarbonylContact O-C 3.48Å; Q603-G624 WeakPolarHBondContact O-CA 3.46Å; G624-S660 PolarHBondContact N-O 3.18Å; G624-S660 VanDerWaalsContact O-CA 3.31Å; G624-S660 WeakPolarHBondContact O-CA 3.15Å; G624-S660 WeakPolarHBondContact O-CB 3.29Å; G624-S660 VanDerWaalsContact O-O 3.11Å
625	S	88.8	Confident	94	Very high	36 Å²	36	42.5 Å²	42.5	25%	0.252	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	159.7	-172.1	41.6	0	0	0	0	112.4	P602 Q603 E605 F627	P602-S625 WeakPolarHBondContact CA-O 3.37Å; Q603-S625 PolarHBondContact N-O 2.98Å; Q603-S625 PolarHBondContact O-N 2.64Å; E605-S625 WeakPolarHBondContact OE1-CB 3.27Å; E605-S625 PolarHBondContact OE1-OG 3.4Å; S625-F627 VanDerWaalsContact C-N 3.3Å; S625-F627 PolarHBondContact O-N 2.91Å
626	N	87.8	Confident	94.1	Very high	53 Å²	53	40 Å²	40	28%	0.283	22%	0.221	S	C	.	.	S	Bend	trans	55.3	38.1	-171.4	-49.1	-30.4	0	0	0	114	A598 L601 N686	A598-N626 PolarHBondContact O-ND2 2.83Å; L601-N626 VanDerWaalsContact O-CB 3.31Å; L601-N626 WeakPolarHBondContact O-CB 3.38Å; L601-N626 PolarHBondContact O-ND2 2.99Å; N626-N686 PolarHBondContact O-ND2 3.49Å
627	F	90.8	Very high	94.2	Very high	24 Å²	24	41 Å²	41	11%	0.105	22%	0.223	C	C	.	.			trans	-83.6	142.7	167.6	-58.4	-23.6	0	0	0	110.1	P602 Q603 V604 I622 S625 S660 I662 V684	P602-F627 HydrophobicContact CB-CD1 3.84Å; P602-F627 HydrophobicContact CB-CE1 4.01Å; Q603-F627 WeakPolarHBondContact O-CE1 3.04Å; Q603-F627 WeakPolarHBondContact O-CZ 3.07Å; V604-F627 HydrophobicContact CG2-CZ 4.38Å; I622-F627 HydrophobicContact CG2-CZ 4.23Å; S625-F627 VanDerWaalsContact C-N 3.3Å; S625-F627 PolarHBondContact O-N 2.91Å; F627-S660 WeakPolarHBondContact CE2-O 3.4Å; F627-I662 HydrophobicContact CB-CD1 3.98Å; F627-I662 HydrophobicContact CB-CG1 4.21Å; F627-I662 HydrophobicContact CD1-CD1 3.99Å; F627-I662 HydrophobicContact CD2-CD1 3.78Å; F627-I662 HydrophobicContact CD2-CG1 3.65Å; F627-I662 HydrophobicContact CE1-CD1 4.42Å; F627-I662 HydrophobicContact CE2-CD1 4.21Å; F627-I662 HydrophobicContact CE2-CG1 4.15Å; F627-I662 HydrophobicContact CG-CD1 3.65Å; F627-I662 HydrophobicContact CG-CG1 3.97Å; F627-V684 HydrophobicContact CD1-CG1 3.92Å; F627-V684 HydrophobicContact CE1-CB 4.15Å; F627-V684 HydrophobicContact CE1-CG1 3.92Å; F627-V684 HydrophobicContact CE1-CG2 3.99Å; F627-V684 HydrophobicContact CZ-CG2 4.3Å
628	F	88.8	Confident	94	Very high	89 Å²	89	44.4 Å²	44.4	39%	0.39	23%	0.225	S	C	.	.			trans	-125.3	162.7	179.7	-56.8	-39.1	0	0	0	109.7	E630 S631 N686	F628-E630 PolarHBondContact O-N 2.85Å; F628-E630 VanDerWaalsContact O-N 3.1Å; F628-S631 PolarHBondContact N-OG 2.79Å; F628-S631 VanDerWaalsContact O-CB 3.25Å; F628-S631 WeakPolarHBondContact O-CB 3.36Å; F628-S631 PolarHBondContact O-N 2.9Å; F628-S631 PolarHBondContact O-OG 2.84Å; F628-N686 HydrophobicContact CD2-CB 3.93Å; F628-N686 WeakPolarHBondContact CD2-ND2 3.25Å; F628-N686 HydrophobicContact CE2-CB 4.16Å; F628-N686 VanDerWaalsContact CE2-ND2 3.34Å; F628-N686 WeakPolarHBondContact CE2-ND2 3.34Å
629	P	87.9	Confident	93.7	Very high	100 Å²	100	42.1 Å²	42.1	65%	0.649	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.2	177	-22.6	34.1	0	0	0	114.4
630	E	89.3	Confident	93.2	Very high	132 Å²	132	44.8 Å²	44.8	62%	0.617	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	7.5	176.2	-47.4	71.7	-156.1	0	0	113.2	F628	F628-E630 PolarHBondContact O-N 2.85Å; F628-E630 VanDerWaalsContact O-N 3.1Å
631	S	94	Very high	92.7	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	138.5	167.5	-69.8	0	0	0	0	109.7	F628 I652 C685 N686	F628-S631 PolarHBondContact N-OG 2.79Å; F628-S631 VanDerWaalsContact O-CB 3.25Å; F628-S631 WeakPolarHBondContact O-CB 3.36Å; F628-S631 PolarHBondContact O-N 2.9Å; F628-S631 PolarHBondContact O-OG 2.84Å; S631-I652 WeakPolarHBondContact O-CD1 3.27Å; S631-C685 WeakPolarHBondContact CA-O 3.49Å; S631-N686 PolarHBondContact OG-OD1 3.42Å
632	K	95.8	Very high	92.2	Very high	81 Å²	81	50 Å²	50	35%	0.352	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	151.4	173.6	-63	173.8	166.1	-79	0	109.3	I634 E649 V684 C685	K632-I634 HydrophobicContact CB-CD1 4.19Å; K632-E649 HydrophobicContact CB-CG 4.36Å; K632-E649 WeakPolarHBondContact CD-OE2 3.47Å; K632-E649 WeakPolarHBondContact CG-OE1 3.44Å; K632-E649 IonicContact NZ-OE1 2.68Å; K632-E649 PolarHBondContact NZ-OE1 2.98Å; K632-E649 IonicContact NZ-OE2 3.1Å; K632-E649 PolarHBondContact NZ-OE2 3.03Å; K632-V684 CarbonylContact O-C 3.49Å; K632-V684 VanDerWaalsContact O-CA 3.31Å; K632-V684 WeakPolarHBondContact O-CA 3.38Å; K632-C685 PolarHBondContact N-O 3.15Å; K632-C685 PolarHBondContact O-N 2.78Å
633	V	97.3	Very high	91.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.3	173.4	-177	0	0	0	0	107.8	I622 F635 E649 A650 I652 I662 V664 F682 V684	I622-V633 HydrophobicContact CD1-CB 4.36Å; I622-V633 HydrophobicContact CD1-CG1 3.6Å; I622-V633 HydrophobicContact CD1-CG2 3.84Å; V633-F635 HydrophobicContact CG1-CE2 4.23Å; V633-E649 WeakPolarHBondContact O-CA 3.39Å; V633-A650 HydrophobicContact CB-CB 4.22Å; V633-A650 HydrophobicContact CG1-CB 4.3Å; V633-A650 PolarHBondContact O-N 2.73Å; V633-I652 HydrophobicContact CG2-CG1 4.45Å; V633-I662 HydrophobicContact CG2-CD1 4.48Å; V633-I662 HydrophobicContact CG2-CG2 4.01Å; V633-V664 HydrophobicContact CB-CG1 3.92Å; V633-V664 HydrophobicContact CG1-CG1 4.36Å; V633-V664 HydrophobicContact CG2-CG1 3.59Å; V633-F682 HydrophobicContact CG1-CD2 4.34Å; V633-V684 HydrophobicContact CG2-CG2 4.3Å
634	I	97.2	Very high	91.3	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.3	-174.2	-52.7	-57.6	0	0	0	109.1	K632 E647 V648 E649 F682 Y683	K632-I634 HydrophobicContact CB-CD1 4.19Å; I634-E647 HydrophobicContact CG2-CG 3.38Å; I634-E647 WeakPolarHBondContact CG2-OE1 3.27Å; I634-V648 CarbonylContact C-O 3.51Å; I634-V648 WeakPolarHBondContact CA-O 3.4Å; I634-E649 HydrophobicContact CD1-CB 3.86Å; I634-E649 HydrophobicContact CD1-CG 3.97Å; I634-F682 CarbonylContact O-C 3.49Å; I634-F682 WeakPolarHBondContact O-CA 3.4Å; I634-F682 WeakPolarHBondContact O-CB 3.35Å; I634-Y683 HydrophobicContact CB-CD1 4.5Å; I634-Y683 HydrophobicContact CB-CD2 4.19Å; I634-Y683 HydrophobicContact CB-CE1 4.12Å; I634-Y683 HydrophobicContact CB-CE2 3.79Å; I634-Y683 HydrophobicContact CG1-CD2 4.34Å; I634-Y683 HydrophobicContact CG1-CE2 3.7Å; I634-Y683 HydrophobicContact CG2-CE1 4.12Å; I634-Y683 HydrophobicContact CG2-CE2 4.45Å; I634-Y683 PolarHBondContact N-O 2.77Å; I634-Y683 PolarHBondContact O-N 2.9Å
635	F	97.7	Very high	91.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	142.4	166.3	-76.8	-113.2	0	0	0	108.9	M620 V633 W646 E647 V648 A650 V666 P667 V680 Q681 F682 F697 Y699	M620-F635 HydrophobicContact CE-CE1 4.46Å; M620-F635 HydrophobicContact CE-CE2 3.92Å; M620-F635 HydrophobicContact CE-CZ 3.46Å; M620-F635 VanDerWaalsContact CE-CZ 3.46Å; M620-F635 HydrophobicContact SD-CZ 4.46Å; V633-F635 HydrophobicContact CG1-CE2 4.23Å; F635-W646 HydrophobicContact CB-CH2 4.11Å; F635-W646 HydrophobicContact CB-CZ3 4.04Å; F635-E647 CarbonylContact O-C 3.52Å; F635-E647 WeakPolarHBondContact O-CA 3.34Å; F635-V648 HydrophobicContact CB-CG1 3.88Å; F635-V648 PolarHBondContact N-O 2.94Å; F635-V648 PolarHBondContact O-N 2.9Å; F635-A650 HydrophobicContact CD2-CB 3.85Å; F635-A650 HydrophobicContact CE2-CB 3.74Å; F635-V666 HydrophobicContact CE1-CG1 3.97Å; F635-V666 HydrophobicContact CZ-CB 4.49Å; F635-V666 HydrophobicContact CZ-CG1 3.92Å; F635-V666 HydrophobicContact CZ-CG2 4.16Å; F635-P667 HydrophobicContact CB-CG 4.2Å; F635-P667 HydrophobicContact CD2-CG 3.86Å; F635-P667 HydrophobicContact CE2-CG 4.35Å; F635-P667 HydrophobicContact CG-CG 3.98Å; F635-V680 HydrophobicContact CD1-CG2 4.21Å; F635-Q681 CarbonylContact C-O 3.47Å; F635-Q681 WeakPolarHBondContact CA-O 3.12Å; F635-F682 HydrophobicContact CD1-CB 4.16Å; F635-F682 HydrophobicContact CD2-CB 4.1Å; F635-F682 HydrophobicContact CE1-CB 4.36Å; F635-F682 HydrophobicContact CE2-CB 4.29Å; F635-F682 HydrophobicContact CG-CB 4.04Å; F635-F682 HydrophobicContact CZ-CB 4.42Å; F635-F697 HydrophobicContact CD1-CD1 4.41Å; F635-F697 HydrophobicContact CE1-CB 4.21Å; F635-F697 AromaticContact CE1-CD1 3.76Å; F635-F697 HydrophobicContact CE1-CD1 3.76Å; F635-F697 HydrophobicContact CE1-CD2 4.12Å; F635-F697 HydrophobicContact CE1-CE1 4.08Å; F635-F697 HydrophobicContact CE1-CE2 4.41Å; F635-F697 AromaticContact CE1-CG 3.78Å; F635-F697 HydrophobicContact CE1-CG 3.78Å; F635-F697 HydrophobicContact CE1-CZ 4.38Å; F635-Y699 HydrophobicContact CD1-CE2 4.44Å; F635-Y699 WeakPolarHBondContact CD1-OH 3.48Å
636	L	96.4	Very high	91.5	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	151.8	179.4	73	97.7	0	0	0	113.2	K638 W646 E647 V680 Q681 Y683	L636-K638 HydrophobicContact CD1-CD 4.35Å; L636-K638 HydrophobicContact CD1-CG 3.77Å; L636-W646 CarbonylContact C-O 3.52Å; L636-W646 WeakPolarHBondContact CA-O 3.17Å; L636-W646 WeakPolarHBondContact CB-O 3.29Å; L636-E647 HydrophobicContact CB-CB 4.32Å; L636-E647 HydrophobicContact CB-CG 4.18Å; L636-V680 WeakPolarHBondContact O-CB 3.38Å; L636-Q681 HydrophobicContact CD1-CB 4.26Å; L636-Q681 HydrophobicContact CG-CB 4.2Å; L636-Q681 PolarHBondContact N-O 2.87Å; L636-Q681 PolarHBondContact O-N 3.03Å; L636-Y683 HydrophobicContact CD2-CD1 3.56Å; L636-Y683 HydrophobicContact CD2-CE1 3.34Å
637	E	95.3	Very high	91.9	Very high	35 Å²	35	67.1 Å²	67.1	16%	0.164	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.4	166.9	-170.8	178.1	-160.1	0	0	109.2	P644 Q645 W646 Y669 H670 V678 V680	E637-P644 CarbonylContact O-C 3.59Å; E637-P644 WeakPolarHBondContact O-CA 3.34Å; E637-Q645 PolarHBondContact O-N 2.86Å; E637-W646 HydrophobicContact CB-CB 4.19Å; E637-W646 HydrophobicContact CB-CE3 4.17Å; E637-W646 PolarHBondContact N-O 3.27Å; E637-W646 PolarHBondContact O-N 3.18Å; E637-Y669 PolarHBondContact OE2-OH 3.27Å; E637-H670 IonicContact OE2-CE1 3.93Å; E637-H670 PolarHBondContact OE2-CE1 2.94Å; E637-V678 WeakPolarHBondContact OE1-CG1 3.24Å; E637-V680 HydrophobicContact CB-CG1 4.23Å
638	K	92.7	Very high	92.2	Very high	112 Å²	112	68.1 Å²	68.1	49%	0.487	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.9	176.2	-67.7	178.9	-179.5	175.9	0	110.2	L636 R643	L636-K638 HydrophobicContact CD1-CD 4.35Å; L636-K638 HydrophobicContact CD1-CG 3.77Å; K638-R643 CarbonylContact C-O 3.58Å; K638-R643 WeakPolarHBondContact CA-O 3.46Å
639	G	88.8	Confident	92.6	Very high	9 Å²	9	68.3 Å²	68.3	9%	0.093	36%	0.357	C	S	.	.			trans	-66.6	171.4	171.4	0	0	0	0	0	111.9	D641 G642 R643	G639-D641 PolarHBondContact O-N 2.74Å; G639-D641 VanDerWaalsContact O-N 3.09Å; G639-G642 PolarHBondContact O-N 3.1Å; G639-R643 PolarHBondContact N-O 2.78Å
640	P	86.8	Confident	93.1	Very high	144 Å²	144	63.6 Å²	63.6	94%	0.935	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-20.6	178.1	-25.1	35.4	0	0	0	114.5	G642	P640-G642 VanDerWaalsContact C-N 3.3Å
641	D	87.8	Confident	93.5	Very high	104 Å²	104	63.5 Å²	63.5	56%	0.556	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-2	175	75.5	-20.7	0	0	0	113.8	G639 R643	G639-D641 PolarHBondContact O-N 2.74Å; G639-D641 VanDerWaalsContact O-N 3.09Å; D641-R643 VanDerWaalsContact C-N 3.33Å; D641-R643 PolarHBondContact O-N 3.39Å; D641-R643 WeakPolarHBondContact OD1-CB 3.39Å; D641-R643 PolarHBondContact OD1-N 2.67Å; D641-R643 WeakPolarHBondContact OD2-CD 3.48Å; D641-R643 WeakPolarHBondContact OD2-CG 3.31Å; D641-R643 IonicContact OD2-CZ 2.68Å; D641-R643 IonicContact OD2-NE 3.55Å; D641-R643 PolarHBondContact OD2-NE 3.49Å; D641-R643 VanDerWaalsContact OD2-NE 3.15Å
642	G	85.6	Confident	93.6	Very high	47 Å²	47	65.2 Å²	65.2	49%	0.485	33%	0.333	S	S	.	.	S	Bend	trans	80.9	0.2	-179.1	0	0	0	0	0	115.6	G639 P640	G639-G642 PolarHBondContact O-N 3.1Å; P640-G642 VanDerWaalsContact C-N 3.3Å
643	R	87.3	Confident	93.6	Very high	179 Å²	179	62.5 Å²	62.5	68%	0.675	32%	0.322	S	S	*	.	S	Bend	trans	-79.2	151.9	175.2	-62.6	-175.9	-164.2	-169.6	0.3	110.8	K638 G639 D641 Q645	K638-R643 CarbonylContact C-O 3.58Å; K638-R643 WeakPolarHBondContact CA-O 3.46Å; G639-R643 PolarHBondContact N-O 2.78Å; D641-R643 VanDerWaalsContact C-N 3.33Å; D641-R643 PolarHBondContact O-N 3.39Å; D641-R643 WeakPolarHBondContact OD1-CB 3.39Å; D641-R643 PolarHBondContact OD1-N 2.67Å; D641-R643 WeakPolarHBondContact OD2-CD 3.48Å; D641-R643 WeakPolarHBondContact OD2-CG 3.31Å; D641-R643 IonicContact OD2-CZ 2.68Å; D641-R643 IonicContact OD2-NE 3.55Å; D641-R643 PolarHBondContact OD2-NE 3.49Å; D641-R643 VanDerWaalsContact OD2-NE 3.15Å; R643-Q645 PolarHBondContact O-N 3.44Å; R643-Q645 VanDerWaalsContact O-N 3.15Å
644	P	87.6	Confident	93.4	Very high	77 Å²	77	70.7 Å²	70.7	50%	0.5	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	115.7	169.6	27.8	-32.7	0	0	0	109.3	E637	E637-P644 CarbonylContact O-C 3.59Å; E637-P644 WeakPolarHBondContact O-CA 3.34Å
645	Q	91.8	Very high	93.2	Very high	121 Å²	121	77.7 Å²	77.7	57%	0.565	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	-30.7	174.9	178.7	176.5	-42.3	0	0	110.6	E637 R643	E637-Q645 PolarHBondContact O-N 2.86Å; R643-Q645 PolarHBondContact O-N 3.44Å; R643-Q645 VanDerWaalsContact O-N 3.15Å
646	W	95.4	Very high	92.9	Very high	31 Å²	31	83 Å²	83	12%	0.117	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	134.1	173.6	175.4	68.6	0	0	0	108.1	F635 L636 E637 V648 Y669 H670 V680 Y699	F635-W646 HydrophobicContact CB-CH2 4.11Å; F635-W646 HydrophobicContact CB-CZ3 4.04Å; L636-W646 CarbonylContact C-O 3.52Å; L636-W646 WeakPolarHBondContact CA-O 3.17Å; L636-W646 WeakPolarHBondContact CB-O 3.29Å; E637-W646 HydrophobicContact CB-CB 4.19Å; E637-W646 HydrophobicContact CB-CE3 4.17Å; E637-W646 PolarHBondContact N-O 3.27Å; E637-W646 PolarHBondContact O-N 3.18Å; W646-V648 HydrophobicContact CD2-CG1 4.44Å; W646-V648 HydrophobicContact CH2-CG1 3.67Å; W646-V648 HydrophobicContact CZ2-CB 4.21Å; W646-V648 HydrophobicContact CZ2-CG1 3.29Å; W646-V648 HydrophobicContact CZ3-CG1 4.36Å; W646-Y669 HydrophobicContact CD2-CD2 4.5Å; W646-Y669 HydrophobicContact CE3-CD2 4.2Å; W646-Y669 HydrophobicContact CE3-CE2 4.28Å; W646-Y669 AromaticContact CH2-CD2 3.97Å; W646-Y669 HydrophobicContact CH2-CD2 3.97Å; W646-Y669 HydrophobicContact CZ2-CD2 4.26Å; W646-Y669 AromaticContact CZ3-CD2 3.96Å; W646-Y669 HydrophobicContact CZ3-CD2 3.96Å; W646-Y669 HydrophobicContact CZ3-CE2 4.42Å; W646-H670 AromaticContact CD1-CG 3.92Å; W646-H670 AromaticContact CD1-ND1 3.74Å; W646-H670 AromaticContact CD2-ND1 3.93Å; W646-H670 HydrophobicContact CG-CB 4.35Å; W646-H670 AromaticContact CG-ND1 3.54Å; W646-V680 HydrophobicContact CE3-CG1 4.39Å; W646-V680 HydrophobicContact CZ3-CB 4.4Å; W646-V680 HydrophobicContact CZ3-CG1 4.02Å; W646-Y699 AromaticContact CH2-CE2 3.62Å; W646-Y699 HydrophobicContact CH2-CE2 3.62Å; W646-Y699 AromaticContact CH2-CZ 3.98Å; W646-Y699 AromaticContact CZ3-CE2 3.84Å; W646-Y699 HydrophobicContact CZ3-CE2 3.84Å
647	E	96.1	Very high	92.6	Very high	96 Å²	96	84.9 Å²	84.9	45%	0.449	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	127.4	173.6	-170	162.6	-164.9	0	0	107.6	I634 F635 L636 Y683	I634-E647 HydrophobicContact CG2-CG 3.38Å; I634-E647 WeakPolarHBondContact CG2-OE1 3.27Å; F635-E647 CarbonylContact O-C 3.52Å; F635-E647 WeakPolarHBondContact O-CA 3.34Å; L636-E647 HydrophobicContact CB-CB 4.32Å; L636-E647 HydrophobicContact CB-CG 4.18Å; E647-Y683 PolarHBondContact OE1-OH 2.87Å
648	V	97.2	Very high	92.2	Very high	45 Å²	45	90.8 Å²	90.8	27%	0.273	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	142.7	-175.2	66.4	0	0	0	0	111	I634 F635 W646 P667	I634-V648 CarbonylContact C-O 3.51Å; I634-V648 WeakPolarHBondContact CA-O 3.4Å; F635-V648 HydrophobicContact CB-CG1 3.88Å; F635-V648 PolarHBondContact N-O 2.94Å; F635-V648 PolarHBondContact O-N 2.9Å; W646-V648 HydrophobicContact CD2-CG1 4.44Å; W646-V648 HydrophobicContact CH2-CG1 3.67Å; W646-V648 HydrophobicContact CZ2-CB 4.21Å; W646-V648 HydrophobicContact CZ2-CG1 3.29Å; W646-V648 HydrophobicContact CZ3-CG1 4.36Å; V648-P667 HydrophobicContact CG1-CB 3.91Å; V648-P667 HydrophobicContact CG1-CG 3.58Å; V648-P667 HydrophobicContact CG2-CB 4.16Å
649	E	97.4	Very high	91.7	Very high	92 Å²	92	88.6 Å²	88.6	43%	0.43	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122	173.8	-173.7	171.7	157.2	0	0	110.4	K632 V633 I634	K632-E649 HydrophobicContact CB-CG 4.36Å; K632-E649 WeakPolarHBondContact CD-OE2 3.47Å; K632-E649 WeakPolarHBondContact CG-OE1 3.44Å; K632-E649 IonicContact NZ-OE1 2.68Å; K632-E649 PolarHBondContact NZ-OE1 2.98Å; K632-E649 IonicContact NZ-OE2 3.1Å; K632-E649 PolarHBondContact NZ-OE2 3.03Å; V633-E649 WeakPolarHBondContact O-CA 3.39Å; I634-E649 HydrophobicContact CD1-CB 3.86Å; I634-E649 HydrophobicContact CD1-CG 3.97Å
650	A	97.5	Very high	91.7	Very high	2 Å²	2	91.5 Å²	91.5	2%	0.017	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.3	174.1	0	0	0	0	0	110.5	V633 F635 I652 V664 P667	V633-A650 HydrophobicContact CB-CB 4.22Å; V633-A650 HydrophobicContact CG1-CB 4.3Å; V633-A650 PolarHBondContact O-N 2.73Å; F635-A650 HydrophobicContact CD2-CB 3.85Å; F635-A650 HydrophobicContact CE2-CB 3.74Å; A650-I652 PolarHBondContact O-N 2.85Å; A650-V664 HydrophobicContact CB-CB 4.01Å; A650-V664 HydrophobicContact CB-CG1 4.36Å; A650-V664 HydrophobicContact CB-CG2 4.09Å; A650-P667 HydrophobicContact CB-CG 4.27Å
651	K	97.4	Very high	92.1	Very high	130 Å²	130	86 Å²	86	57%	0.565	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	114.9	-176.9	170.4	-177.8	159.2	-153.4	0	109.9	V664 E665	K651-V664 CarbonylContact O-C 3.12Å; K651-V664 VanDerWaalsContact O-CA 3.3Å; K651-V664 WeakPolarHBondContact O-CA 3.43Å; K651-E665 HydrophobicContact CB-CB 4.3Å; K651-E665 WeakPolarHBondContact CD-OE2 3.33Å; K651-E665 VanDerWaalsContact CE-OE2 3.28Å; K651-E665 WeakPolarHBondContact CE-OE2 3.47Å; K651-E665 IonicContact NZ-OE1 2.65Å; K651-E665 IonicContact NZ-OE2 2.63Å; K651-E665 PolarHBondContact NZ-OE2 2.81Å; K651-E665 PolarHBondContact O-N 3.4Å
652	I	96.8	Very high	92.5	Very high	41 Å²	41	81.2 Å²	81.2	21%	0.21	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	125.8	179.3	-65.3	165.7	0	0	0	110.4	S631 V633 A650 R654 I662 V663 V664	S631-I652 WeakPolarHBondContact O-CD1 3.27Å; V633-I652 HydrophobicContact CG2-CG1 4.45Å; A650-I652 PolarHBondContact O-N 2.85Å; I652-R654 HydrophobicContact CG2-CG 4.07Å; I652-R654 PolarHBondContact O-N 2.91Å; I652-I662 HydrophobicContact CD1-CG2 4.3Å; I652-I662 HydrophobicContact CG1-CG2 4Å; I652-I662 HydrophobicContact CG2-CG2 4.01Å; I652-V663 WeakPolarHBondContact CA-O 3.31Å; I652-V664 HydrophobicContact CG1-CG1 3.78Å
653	I	95.9	Very high	93	Very high	24 Å²	24	79.3 Å²	79.3	12%	0.123	39%	0.394	C	S	.	.			trans	-86.1	91.5	172.7	-51.3	-178.1	0	0	0	106.9	E619 E655 K656 T657 V663 E665	E619-I653 HydrophobicContact CG-CD1 3.87Å; E619-I653 VanDerWaalsContact OE1-CD1 3.25Å; E619-I653 WeakPolarHBondContact OE1-CD1 3.42Å; I653-E655 WeakPolarHBondContact CG2-OE2 3.48Å; I653-E655 PolarHBondContact O-N 2.82Å; I653-K656 HydrophobicContact CG2-CB 4.14Å; I653-K656 HydrophobicContact CG2-CD 3.98Å; I653-K656 HydrophobicContact CG2-CG 3.95Å; I653-K656 PolarHBondContact O-N 2.81Å; I653-T657 PolarHBondContact O-N 2.82Å; I653-T657 PolarHBondContact O-OG1 3.05Å; I653-V663 HydrophobicContact CB-CB 4.41Å; I653-V663 HydrophobicContact CB-CG1 4.28Å; I653-V663 HydrophobicContact CD1-CG1 4.26Å; I653-V663 PolarHBondContact N-O 2.89Å; I653-E665 HydrophobicContact CD1-CB 4.49Å
654	R	92.6	Very high	93.5	Very high	172 Å²	172	70.8 Å²	70.8	65%	0.649	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-65.9	-29.8	-170.7	-74.1	-179.5	160.9	-177.2	-9.1	112.4	I652 K656 T657	I652-R654 HydrophobicContact CG2-CG 4.07Å; I652-R654 PolarHBondContact O-N 2.91Å; R654-K656 PolarHBondContact O-N 3.5Å; R654-T657 PolarHBondContact O-N 3.47Å
655	E	93.6	Very high	94	Very high	163 Å²	163	70.1 Å²	70.1	76%	0.762	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-68.7	-25.2	-178.7	-53	68.6	-147.3	0	0	112	I653	I653-E655 WeakPolarHBondContact CG2-OE2 3.48Å; I653-E655 PolarHBondContact O-N 2.82Å
656	K	90.8	Very high	94.3	Very high	110 Å²	110	64.4 Å²	64.4	48%	0.478	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-104.5	-4.3	177.4	-63.1	-179	177	173.5	0	113	E619 I653 R654 V663	E619-K656 IonicContact OE1-NZ 2.74Å; E619-K656 PolarHBondContact OE1-NZ 3.43Å; E619-K656 IonicContact OE2-NZ 2.64Å; E619-K656 PolarHBondContact OE2-NZ 3.3Å; I653-K656 HydrophobicContact CG2-CB 4.14Å; I653-K656 HydrophobicContact CG2-CD 3.98Å; I653-K656 HydrophobicContact CG2-CG 3.95Å; I653-K656 PolarHBondContact O-N 2.81Å; R654-K656 PolarHBondContact O-N 3.5Å; K656-V663 HydrophobicContact CB-CB 3.91Å; K656-V663 HydrophobicContact CB-CG1 4.18Å; K656-V663 HydrophobicContact CB-CG2 3.79Å; K656-V663 HydrophobicContact CD-CG1 4.35Å; K656-V663 WeakPolarHBondContact O-CG2 3.3Å
657	T	90.3	Very high	94.4	Very high	49 Å²	49	63.5 Å²	63.5	30%	0.301	32%	0.323	S	S	.	.			trans	-87.3	124.4	-177.2	-71	0	0	0	0	110	I653 R654 C661 I662 V663	I653-T657 PolarHBondContact O-N 2.82Å; I653-T657 PolarHBondContact O-OG1 3.05Å; R654-T657 PolarHBondContact O-N 3.47Å; T657-C661 CarbonylContact C-O 3.59Å; T657-C661 WeakPolarHBondContact CA-O 3.34Å; T657-C661 WeakPolarHBondContact CG2-O 3.45Å; T657-I662 HydrophobicContact CG2-CG1 4.37Å; T657-V663 PolarHBondContact OG1-N 2.86Å; T657-V663 VanDerWaalsContact OG1-N 3.12Å
658	Q	86.6	Confident	94.4	Very high	159 Å²	159	62.4 Å²	62.4	74%	0.743	33%	0.325	S	S	*	.	B	Isolated β-bridge	trans	-142.1	109	-174.5	-170.9	-176.6	17.2	0	0	111.5	S660 C661	Q658-S660 PolarHBondContact O-N 3.26Å; Q658-C661 PolarHBondContact N-O 3.1Å; Q658-C661 WeakPolarHBondContact O-CB 3.31Å; Q658-C661 PolarHBondContact O-N 3.13Å
659	G	82.9	Confident	94.4	Very high	65 Å²	65	60.8 Å²	60.8	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-105.4	169.7	0	0	0	0	0	114.1	C661	G659-C661 PolarHBondContact O-N 3.42Å
660	S	88.7	Confident	94.2	Very high	71 Å²	71	60.9 Å²	60.9	50%	0.497	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	6.6	176.1	44.7	0	0	0	0	114.5	T623 G624 F627 Q658	T623-S660 CarbonylContact C-O 3.6Å; T623-S660 WeakPolarHBondContact CA-O 3Å; G624-S660 PolarHBondContact N-O 3.18Å; G624-S660 VanDerWaalsContact O-CA 3.31Å; G624-S660 WeakPolarHBondContact O-CA 3.15Å; G624-S660 WeakPolarHBondContact O-CB 3.29Å; G624-S660 VanDerWaalsContact O-O 3.11Å; F627-S660 WeakPolarHBondContact CE2-O 3.4Å; Q658-S660 PolarHBondContact O-N 3.26Å
661	C	93.9	Very high	93.8	Very high	28 Å²	28	62.3 Å²	62.3	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	116.5	-170.9	-162.7	0	0	0	0	111.7	V621 I622 T657 Q658 G659	V621-C661 WeakPolarHBondContact CG1-SG 3.31Å; I622-C661 WeakPolarHBondContact O-CA 3.49Å; T657-C661 CarbonylContact C-O 3.59Å; T657-C661 WeakPolarHBondContact CA-O 3.34Å; T657-C661 WeakPolarHBondContact CG2-O 3.45Å; Q658-C661 PolarHBondContact N-O 3.1Å; Q658-C661 WeakPolarHBondContact O-CB 3.31Å; Q658-C661 PolarHBondContact O-N 3.13Å; G659-C661 PolarHBondContact O-N 3.42Å
662	I	96.6	Very high	93.2	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.2	170.5	-59.8	170.5	0	0	0	108.3	I622 F627 V633 I652 T657 V664 V684	I622-I662 PolarHBondContact N-O 2.7Å; I622-I662 PolarHBondContact O-N 2.85Å; F627-I662 HydrophobicContact CB-CD1 3.98Å; F627-I662 HydrophobicContact CB-CG1 4.21Å; F627-I662 HydrophobicContact CD1-CD1 3.99Å; F627-I662 HydrophobicContact CD2-CD1 3.78Å; F627-I662 HydrophobicContact CD2-CG1 3.65Å; F627-I662 HydrophobicContact CE1-CD1 4.42Å; F627-I662 HydrophobicContact CE2-CD1 4.21Å; F627-I662 HydrophobicContact CE2-CG1 4.15Å; F627-I662 HydrophobicContact CG-CD1 3.65Å; F627-I662 HydrophobicContact CG-CG1 3.97Å; V633-I662 HydrophobicContact CG2-CD1 4.48Å; V633-I662 HydrophobicContact CG2-CG2 4.01Å; I652-I662 HydrophobicContact CD1-CG2 4.3Å; I652-I662 HydrophobicContact CG1-CG2 4Å; I652-I662 HydrophobicContact CG2-CG2 4.01Å; T657-I662 HydrophobicContact CG2-CG1 4.37Å; I662-V664 HydrophobicContact CG2-CG1 3.85Å; I662-V684 HydrophobicContact CD1-CG1 3.88Å
663	V	97.3	Very high	92.6	Very high	7 Å²	7	67.6 Å²	67.6	4%	0.042	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.6	170.9	-175.4	0	0	0	0	109.1	V621 I652 I653 K656 T657	V621-V663 HydrophobicContact CG1-CG2 4.34Å; V621-V663 HydrophobicContact CG2-CG1 4.4Å; V621-V663 HydrophobicContact CG2-CG2 4.11Å; I652-V663 WeakPolarHBondContact CA-O 3.31Å; I653-V663 HydrophobicContact CB-CB 4.41Å; I653-V663 HydrophobicContact CB-CG1 4.28Å; I653-V663 HydrophobicContact CD1-CG1 4.26Å; I653-V663 PolarHBondContact N-O 2.89Å; K656-V663 HydrophobicContact CB-CB 3.91Å; K656-V663 HydrophobicContact CB-CG1 4.18Å; K656-V663 HydrophobicContact CB-CG2 3.79Å; K656-V663 HydrophobicContact CD-CG1 4.35Å; K656-V663 WeakPolarHBondContact O-CG2 3.3Å; T657-V663 PolarHBondContact OG1-N 2.86Å; T657-V663 VanDerWaalsContact OG1-N 3.12Å
664	V	97.7	Very high	92.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	148.2	178.4	-55.2	0	0	0	0	112.2	E619 M620 I622 V633 A650 K651 I652 I662	E619-V664 CarbonylContact C-O 3.56Å; E619-V664 WeakPolarHBondContact CA-O 3.25Å; M620-V664 HydrophobicContact CB-CG2 3.99Å; M620-V664 HydrophobicContact CE-CG2 4.17Å; M620-V664 PolarHBondContact N-O 2.8Å; M620-V664 PolarHBondContact O-N 2.89Å; I622-V664 HydrophobicContact CD1-CG1 4.49Å; I622-V664 HydrophobicContact CD1-CG2 4.26Å; V633-V664 HydrophobicContact CB-CG1 3.92Å; V633-V664 HydrophobicContact CG1-CG1 4.36Å; V633-V664 HydrophobicContact CG2-CG1 3.59Å; A650-V664 HydrophobicContact CB-CB 4.01Å; A650-V664 HydrophobicContact CB-CG1 4.36Å; A650-V664 HydrophobicContact CB-CG2 4.09Å; K651-V664 CarbonylContact O-C 3.12Å; K651-V664 VanDerWaalsContact O-CA 3.3Å; K651-V664 WeakPolarHBondContact O-CA 3.43Å; I652-V664 HydrophobicContact CG1-CG1 3.78Å; I662-V664 HydrophobicContact CG2-CG1 3.85Å
665	E	98	Very high	91.9	Very high	63 Å²	63	66.1 Å²	66.1	29%	0.294	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.1	160.6	-173.6	179.3	141	0	0	107.9	K651 I653	K651-E665 HydrophobicContact CB-CB 4.3Å; K651-E665 WeakPolarHBondContact CD-OE2 3.33Å; K651-E665 VanDerWaalsContact CE-OE2 3.28Å; K651-E665 WeakPolarHBondContact CE-OE2 3.47Å; K651-E665 IonicContact NZ-OE1 2.65Å; K651-E665 IonicContact NZ-OE2 2.63Å; K651-E665 PolarHBondContact NZ-OE2 2.81Å; K651-E665 PolarHBondContact O-N 3.4Å; I653-E665 HydrophobicContact CD1-CB 4.49Å
666	V	98.1	Very high	91.8	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-66.7	125.7	179.9	177.6	0	0	0	0	109.1	L609 C612 G616 G617 E618 M620 F635 F697 Y699	L609-V666 HydrophobicContact CD2-CG2 4.09Å; C612-V666 VanDerWaalsContact SG-CG1 3.57Å; G616-V666 WeakPolarHBondContact CA-O 3.39Å; G617-V666 PolarHBondContact N-O 2.83Å; E618-V666 WeakPolarHBondContact O-CG2 3.42Å; E618-V666 PolarHBondContact O-N 3.41Å; M620-V666 HydrophobicContact CB-CG2 3.66Å; F635-V666 HydrophobicContact CE1-CG1 3.97Å; F635-V666 HydrophobicContact CZ-CB 4.49Å; F635-V666 HydrophobicContact CZ-CG1 3.92Å; F635-V666 HydrophobicContact CZ-CG2 4.16Å; V666-F697 HydrophobicContact CG1-CE1 3.94Å; V666-F697 HydrophobicContact CG1-CZ 3.8Å; V666-F697 HydrophobicContact CG2-CE2 4.38Å; V666-F697 HydrophobicContact CG2-CZ 4.09Å; V666-Y699 HydrophobicContact CG1-CE1 3.8Å; V666-Y699 WeakPolarHBondContact CG1-OH 3.48Å
667	P	97.7	Very high	91.9	Very high	12 Å²	12	59.2 Å²	59.2	8%	0.078	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-69	148.9	-174.4	26.4	-32.8	0	0	0	111.5	F635 V648 A650 Y669 Y699	F635-P667 HydrophobicContact CB-CG 4.2Å; F635-P667 HydrophobicContact CD2-CG 3.86Å; F635-P667 HydrophobicContact CE2-CG 4.35Å; F635-P667 HydrophobicContact CG-CG 3.98Å; V648-P667 HydrophobicContact CG1-CB 3.91Å; V648-P667 HydrophobicContact CG1-CG 3.58Å; V648-P667 HydrophobicContact CG2-CB 4.16Å; A650-P667 HydrophobicContact CB-CG 4.27Å; P667-Y669 PolarHBondContact O-N 2.84Å; P667-Y699 PolarHBondContact O-OH 3.27Å
668	P	96.6	Very high	92.1	Very high	73 Å²	73	57.7 Å²	57.7	47%	0.474	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-57.8	137.6	170.5	-21.5	31.7	0	0	0	111.3	S615	S615-P668 WeakPolarHBondContact O-CA 3.18Å; S615-P668 VanDerWaalsContact O-CB 3.27Å; S615-P668 WeakPolarHBondContact O-CB 3.17Å; S615-P668 WeakPolarHBondContact O-CG 3.33Å
669	Y	96.2	Very high	92.5	Very high	11 Å²	11	55.4 Å²	55.4	4%	0.043	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-74.9	143.1	175.3	178.9	-112.2	0	0	0	110.7	V614 E637 W646 P667 S671 V674 V678 V680 Y699	V614-Y669 HydrophobicContact CG1-CD1 4.05Å; V614-Y669 PolarHBondContact O-N 3.12Å; E637-Y669 PolarHBondContact OE2-OH 3.27Å; W646-Y669 HydrophobicContact CD2-CD2 4.5Å; W646-Y669 HydrophobicContact CE3-CD2 4.2Å; W646-Y669 HydrophobicContact CE3-CE2 4.28Å; W646-Y669 AromaticContact CH2-CD2 3.97Å; W646-Y669 HydrophobicContact CH2-CD2 3.97Å; W646-Y669 HydrophobicContact CZ2-CD2 4.26Å; W646-Y669 AromaticContact CZ3-CD2 3.96Å; W646-Y669 HydrophobicContact CZ3-CD2 3.96Å; W646-Y669 HydrophobicContact CZ3-CE2 4.42Å; P667-Y669 PolarHBondContact O-N 2.84Å; Y669-S671 VanDerWaalsContact C-N 3.29Å; Y669-S671 VanDerWaalsContact CD1-O 3.24Å; Y669-S671 WeakPolarHBondContact CD1-O 3.33Å; Y669-S671 WeakPolarHBondContact CE1-O 3.39Å; Y669-S671 PolarHBondContact O-N 2.68Å; Y669-V674 HydrophobicContact CD1-CG2 4.36Å; Y669-V674 HydrophobicContact CE1-CG1 3.92Å; Y669-V674 HydrophobicContact CE1-CG2 4.18Å; Y669-V678 HydrophobicContact CE1-CG2 4.09Å; Y669-V678 HydrophobicContact CE2-CG1 4.18Å; Y669-V680 HydrophobicContact CD2-CG1 4.46Å; Y669-V680 HydrophobicContact CE2-CG1 4.23Å; Y669-Y699 AromaticContact CD2-CD2 3.64Å; Y669-Y699 HydrophobicContact CD2-CD2 3.64Å; Y669-Y699 AromaticContact CD2-CE2 3.94Å; Y669-Y699 HydrophobicContact CD2-CE2 3.94Å; Y669-Y699 HydrophobicContact CD2-CG 4.35Å; Y669-Y699 AromaticContact CG-CD2 3.83Å; Y669-Y699 HydrophobicContact CG-CD2 3.83Å; Y669-Y699 HydrophobicContact CG-CE2 4.32Å; Y669-Y699 HydrophobicContact CG-CG 4.08Å
670	H	92.3	Very high	93.2	Very high	95 Å²	95	52.4 Å²	52.4	44%	0.44	30%	0.303	S	S	.	.	S	Bend	trans	-65.2	-28.5	-167.9	73.4	-87.8	0	0	0	114.3	E637 W646	E637-H670 IonicContact OE2-CE1 3.93Å; E637-H670 PolarHBondContact OE2-CE1 2.94Å; W646-H670 AromaticContact CD1-CG 3.92Å; W646-H670 AromaticContact CD1-ND1 3.74Å; W646-H670 AromaticContact CD2-ND1 3.93Å; W646-H670 HydrophobicContact CG-CB 4.35Å; W646-H670 AromaticContact CG-ND1 3.54Å
671	S	90.1	Very high	93.6	Very high	31 Å²	31	52.2 Å²	52.2	22%	0.217	29%	0.294	C	S	.	.			trans	-112	102.2	178.6	-176.7	0	0	0	0	111.2	Y669 T673	Y669-S671 VanDerWaalsContact C-N 3.29Å; Y669-S671 VanDerWaalsContact CD1-O 3.24Å; Y669-S671 WeakPolarHBondContact CD1-O 3.33Å; Y669-S671 WeakPolarHBondContact CE1-O 3.39Å; Y669-S671 PolarHBondContact O-N 2.68Å; S671-T673 PolarHBondContact O-N 2.63Å; S671-T673 PolarHBondContact OG-OG1 2.92Å
672	K	84.9	Confident	93.8	Very high	160 Å²	160	50.9 Å²	50.9	70%	0.696	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.7	178.2	-63.1	-177.1	-179.5	-179.6	0	113.8
673	T	84.8	Confident	93.7	Very high	122 Å²	122	51.7 Å²	51.7	75%	0.748	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	5.8	-174.8	51.9	0	0	0	0	113.9	S671 T675	S671-T673 PolarHBondContact O-N 2.63Å; S671-T673 PolarHBondContact OG-OG1 2.92Å; T673-T675 PolarHBondContact O-N 3Å
674	V	86.8	Confident	93.7	Very high	31 Å²	31	51.4 Å²	51.4	19%	0.188	29%	0.286	C	S	.	.			trans	-65.6	128.5	177	-64.4	0	0	0	0	111.3	V614 Y669 V678 S701	V614-V674 HydrophobicContact CG1-CG2 3.56Å; Y669-V674 HydrophobicContact CD1-CG2 4.36Å; Y669-V674 HydrophobicContact CE1-CG1 3.92Å; Y669-V674 HydrophobicContact CE1-CG2 4.18Å; V674-V678 HydrophobicContact CB-CG2 4.13Å; V674-V678 HydrophobicContact CG1-CG2 4.04Å; V674-V678 HydrophobicContact CG2-CG2 4Å; V674-S701 WeakPolarHBondContact O-CB 3.47Å
675	T	86.6	Confident	93.5	Very high	134 Å²	134	52 Å²	52	82%	0.822	29%	0.29	S	S	*	.	S	Bend	trans	-92.4	-2.5	-178.1	50.8	0	0	0	0	113.4	T673	T673-T675 PolarHBondContact O-N 3Å
676	S	90.6	Very high	93.2	Very high	73 Å²	73	49.8 Å²	49.8	51%	0.51	28%	0.28	S	S	.	.	S	Bend	trans	-134.7	162.5	178.7	62.8	0	0	0	0	110.9
677	A	94	Very high	92.5	Very high	56 Å²	56	51.6 Å²	51.6	46%	0.463	30%	0.298	S	S	.	.			trans	-63.7	138.4	172.9	0	0	0	0	0	112	T698 Y699 L700	A677-T698 HydrophobicContact CB-CG2 3.88Å; A677-Y699 CarbonylContact C-O 3.55Å; A677-Y699 VanDerWaalsContact CA-O 3.23Å; A677-Y699 WeakPolarHBondContact CA-O 3.36Å; A677-L700 HydrophobicContact CB-CD2 3.95Å
678	V	94.8	Very high	91.6	Very high	16 Å²	16	61.5 Å²	61.5	10%	0.097	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124.4	-179.9	-179.1	0	0	0	0	109.9	E637 Y669 V674 V680 T698 Y699	E637-V678 WeakPolarHBondContact OE1-CG1 3.24Å; Y669-V678 HydrophobicContact CE1-CG2 4.09Å; Y669-V678 HydrophobicContact CE2-CG1 4.18Å; V674-V678 HydrophobicContact CB-CG2 4.13Å; V674-V678 HydrophobicContact CG1-CG2 4.04Å; V674-V678 HydrophobicContact CG2-CG2 4Å; V678-V680 HydrophobicContact CG1-CG1 4.13Å; V678-T698 CarbonylContact O-C 3.56Å; V678-T698 VanDerWaalsContact O-CA 3.31Å; V678-T698 WeakPolarHBondContact O-CA 3.44Å; V678-Y699 PolarHBondContact N-O 2.83Å; V678-Y699 PolarHBondContact O-N 3.1Å
679	Q	95.3	Very high	90.4	Very high	112 Å²	112	69.5 Å²	69.5	52%	0.523	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	113.1	175.8	-174.7	171.9	121.9	0	0	111.1	R696	Q679-R696 VanDerWaalsContact OE1-CD 3.23Å
680	V	96.6	Very high	90	Very high	2 Å²	2	72 Å²	72	1%	0.012	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	178.5	174	-56.2	0	0	0	0	110.5	F635 L636 E637 W646 Y669 V678 F697 Y699	F635-V680 HydrophobicContact CD1-CG2 4.21Å; L636-V680 WeakPolarHBondContact O-CB 3.38Å; E637-V680 HydrophobicContact CB-CG1 4.23Å; W646-V680 HydrophobicContact CE3-CG1 4.39Å; W646-V680 HydrophobicContact CZ3-CB 4.4Å; W646-V680 HydrophobicContact CZ3-CG1 4.02Å; Y669-V680 HydrophobicContact CD2-CG1 4.46Å; Y669-V680 HydrophobicContact CE2-CG1 4.23Å; V678-V680 HydrophobicContact CG1-CG1 4.13Å; V680-F697 HydrophobicContact CG2-CB 3.95Å; V680-F697 HydrophobicContact CG2-CD1 4.1Å; V680-F697 PolarHBondContact N-O 2.86Å; V680-F697 PolarHBondContact O-N 3.19Å; V680-F697 VanDerWaalsContact O-O 3.08Å; V680-Y699 HydrophobicContact CB-CE2 4.49Å; V680-Y699 HydrophobicContact CG1-CD2 3.87Å; V680-Y699 HydrophobicContact CG1-CE2 4.07Å; V680-Y699 HydrophobicContact CG2-CD2 3.93Å; V680-Y699 HydrophobicContact CG2-CE2 3.68Å
681	Q	96.8	Very high	90	Very high	66 Å²	66	74.6 Å²	74.6	31%	0.308	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	155.7	172.5	-69.1	170.5	29.7	0	0	110.5	F635 L636 Q695	F635-Q681 CarbonylContact C-O 3.47Å; F635-Q681 WeakPolarHBondContact CA-O 3.12Å; L636-Q681 HydrophobicContact CD1-CB 4.26Å; L636-Q681 HydrophobicContact CG-CB 4.2Å; L636-Q681 PolarHBondContact N-O 2.87Å; L636-Q681 PolarHBondContact O-N 3.03Å; Q681-Q695 CarbonylContact C-O 3.59Å; Q681-Q695 WeakPolarHBondContact CA-O 3.39Å; Q681-Q695 WeakPolarHBondContact CB-O 3.27Å
682	F	97.4	Very high	90.1	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.3	166.4	73	-85.1	0	0	0	112.3	M620 I622 V633 I634 F635 S694 Q695 F697	M620-F682 HydrophobicContact CE-CD1 4.28Å; M620-F682 HydrophobicContact CE-CD2 3.89Å; M620-F682 HydrophobicContact CE-CE1 4.03Å; M620-F682 HydrophobicContact CE-CE2 3.63Å; M620-F682 HydrophobicContact CE-CG 4.2Å; M620-F682 HydrophobicContact CE-CZ 3.68Å; M620-F682 HydrophobicContact SD-CE1 4.22Å; M620-F682 HydrophobicContact SD-CE2 4.5Å; M620-F682 HydrophobicContact SD-CZ 3.99Å; I622-F682 HydrophobicContact CD1-CD2 4.37Å; I622-F682 HydrophobicContact CD1-CE2 4Å; I622-F682 HydrophobicContact CG1-CE2 4.32Å; V633-F682 HydrophobicContact CG1-CD2 4.34Å; I634-F682 CarbonylContact O-C 3.49Å; I634-F682 WeakPolarHBondContact O-CA 3.4Å; I634-F682 WeakPolarHBondContact O-CB 3.35Å; F635-F682 HydrophobicContact CD1-CB 4.16Å; F635-F682 HydrophobicContact CD2-CB 4.1Å; F635-F682 HydrophobicContact CE1-CB 4.36Å; F635-F682 HydrophobicContact CE2-CB 4.29Å; F635-F682 HydrophobicContact CG-CB 4.04Å; F635-F682 HydrophobicContact CZ-CB 4.42Å; F682-S694 CarbonylContact O-C 3.56Å; F682-S694 WeakPolarHBondContact O-CA 3.19Å; F682-Q695 HydrophobicContact CD1-CB 3.8Å; F682-Q695 HydrophobicContact CD2-CB 4.38Å; F682-Q695 HydrophobicContact CE1-CB 3.44Å; F682-Q695 VanDerWaalsContact CE1-CB 3.44Å; F682-Q695 HydrophobicContact CE1-CG 4.38Å; F682-Q695 HydrophobicContact CE2-CB 4.05Å; F682-Q695 HydrophobicContact CE2-CG 4.29Å; F682-Q695 HydrophobicContact CG-CB 4.28Å; F682-Q695 HydrophobicContact CZ-CB 3.59Å; F682-Q695 HydrophobicContact CZ-CG 4.04Å; F682-Q695 PolarHBondContact N-O 2.66Å; F682-Q695 PolarHBondContact O-N 3.28Å; F682-F697 HydrophobicContact CD1-CB 3.89Å; F682-F697 HydrophobicContact CE1-CB 4.21Å; F682-F697 HydrophobicContact CE1-CD2 4.44Å
683	Y	96.4	Very high	90.3	Very high	22 Å²	22	74.3 Å²	74.3	9%	0.086	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	155.3	172.6	64.9	-103.9	0	0	0	111.1	I634 L636 E647 C685 R691 S692	I634-Y683 HydrophobicContact CB-CD1 4.5Å; I634-Y683 HydrophobicContact CB-CD2 4.19Å; I634-Y683 HydrophobicContact CB-CE1 4.12Å; I634-Y683 HydrophobicContact CB-CE2 3.79Å; I634-Y683 HydrophobicContact CG1-CD2 4.34Å; I634-Y683 HydrophobicContact CG1-CE2 3.7Å; I634-Y683 HydrophobicContact CG2-CE1 4.12Å; I634-Y683 HydrophobicContact CG2-CE2 4.45Å; I634-Y683 PolarHBondContact N-O 2.77Å; I634-Y683 PolarHBondContact O-N 2.9Å; L636-Y683 HydrophobicContact CD2-CD1 3.56Å; L636-Y683 HydrophobicContact CD2-CE1 3.34Å; E647-Y683 PolarHBondContact OE1-OH 2.87Å; Y683-C685 HydrophobicContact CD2-CB 3.98Å; Y683-C685 HydrophobicContact CE2-CB 3.75Å; Y683-R691 HydrophobicContact CD2-CB 3.68Å; Y683-R691 HydrophobicContact CE2-CB 3.92Å; Y683-R691 HydrophobicContact CG-CB 4.37Å; Y683-S692 WeakPolarHBondContact CA-OG 3.17Å; Y683-S692 WeakPolarHBondContact CB-OG 3.28Å
684	V	96.3	Very high	90.7	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142	167	-176	0	0	0	0	108.2	P602 V604 I622 F627 K632 V633 I662 R691 S692	P602-V684 HydrophobicContact CB-CB 4.06Å; P602-V684 HydrophobicContact CB-CG1 3.77Å; P602-V684 HydrophobicContact CG-CB 4.19Å; P602-V684 HydrophobicContact CG-CG1 4.08Å; P602-V684 VanDerWaalsContact CG-O 3.27Å; P602-V684 WeakPolarHBondContact CG-O 2.99Å; V604-V684 HydrophobicContact CG2-CB 4.26Å; V604-V684 HydrophobicContact CG2-CG2 3.52Å; I622-V684 HydrophobicContact CG2-CG2 4.23Å; F627-V684 HydrophobicContact CD1-CG1 3.92Å; F627-V684 HydrophobicContact CE1-CB 4.15Å; F627-V684 HydrophobicContact CE1-CG1 3.92Å; F627-V684 HydrophobicContact CE1-CG2 3.99Å; F627-V684 HydrophobicContact CZ-CG2 4.3Å; K632-V684 CarbonylContact O-C 3.49Å; K632-V684 VanDerWaalsContact O-CA 3.31Å; K632-V684 WeakPolarHBondContact O-CA 3.38Å; V633-V684 HydrophobicContact CG2-CG2 4.3Å; I662-V684 HydrophobicContact CD1-CG1 3.88Å; V684-R691 CarbonylContact O-C 3.42Å; V684-R691 VanDerWaalsContact O-CA 3.31Å; V684-R691 WeakPolarHBondContact O-CA 3.16Å; V684-S692 PolarHBondContact N-OG 2.65Å; V684-S692 PolarHBondContact O-N 2.9Å
685	C	93.6	Very high	91.2	Very high	12 Å²	12	72 Å²	72	8%	0.081	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.6	173.7	63	0	0	0	0	114.7	S631 K632 Y683 G687 K690 R691	S631-C685 WeakPolarHBondContact CA-O 3.49Å; K632-C685 PolarHBondContact N-O 3.15Å; K632-C685 PolarHBondContact O-N 2.78Å; Y683-C685 HydrophobicContact CD2-CB 3.98Å; Y683-C685 HydrophobicContact CE2-CB 3.75Å; C685-G687 PolarHBondContact O-N 3.06Å; C685-K690 CarbonylContact C-O 3.56Å; C685-K690 WeakPolarHBondContact CA-O 3.43Å; C685-K690 VanDerWaalsContact CB-O 3.24Å; C685-K690 WeakPolarHBondContact CB-O 3.35Å; C685-R691 HydrophobicContact CB-CB 3.91Å
686	N	90.8	Very high	91.6	Very high	18 Å²	18	74 Å²	74	10%	0.096	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	72.4	178.7	-64.1	-7.7	0	0	0	108.5	E600 P602 N626 F628 S631 K690	E600-N686 PolarHBondContact O-ND2 2.76Å; P602-N686 WeakPolarHBondContact CD-ND2 3.39Å; N626-N686 PolarHBondContact O-ND2 3.49Å; F628-N686 HydrophobicContact CD2-CB 3.93Å; F628-N686 WeakPolarHBondContact CD2-ND2 3.25Å; F628-N686 HydrophobicContact CE2-CB 4.16Å; F628-N686 VanDerWaalsContact CE2-ND2 3.34Å; F628-N686 WeakPolarHBondContact CE2-ND2 3.34Å; S631-N686 PolarHBondContact OG-OD1 3.42Å; N686-K690 HydrophobicContact CB-CB 3.96Å; N686-K690 HydrophobicContact CB-CD 4.33Å; N686-K690 PolarHBondContact N-O 2.72Å
687	G	84.5	Confident	92	Very high	37 Å²	37	70.5 Å²	70.5	38%	0.381	33%	0.329	S	S	.	.	S	Bend	trans	69.3	-174.3	-170.2	0	0	0	0	0	114.1	C685 R689	C685-G687 PolarHBondContact O-N 3.06Å; G687-R689 VanDerWaalsContact C-N 3.25Å; G687-R689 PolarHBondContact O-N 2.8Å
688	K	78.1	Confident	92.1	Very high	221 Å²	221	69.6 Å²	69.6	96%	0.961	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-13	-159.2	-61.3	-171	178.3	-173.8	0	118
689	R	72.4	Confident	92.2	Very high	240 Å²	240	68.9 Å²	68.9	91%	0.906	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.5	-7.4	-172.8	-68.1	-166.7	-68.9	-157.6	-1.6	115.8	G687	G687-R689 VanDerWaalsContact C-N 3.25Å; G687-R689 PolarHBondContact O-N 2.8Å
690	K	88.3	Confident	92.2	Very high	64 Å²	64	66.8 Å²	66.8	28%	0.278	31%	0.305	S	S	.	.			trans	-111.3	106.1	-177.9	-70.3	166.2	173.5	173.5	0	108.3	E600 L601 C685 N686	E600-K690 HydrophobicContact CB-CD 4.01Å; E600-K690 IonicContact OE1-NZ 2.67Å; E600-K690 PolarHBondContact OE1-NZ 2.73Å; E600-K690 WeakPolarHBondContact OE2-CE 3.39Å; E600-K690 IonicContact OE2-NZ 2.9Å; E600-K690 PolarHBondContact OE2-NZ 2.97Å; L601-K690 HydrophobicContact CD2-CB 3.93Å; L601-K690 HydrophobicContact CD2-CG 4.28Å; C685-K690 CarbonylContact C-O 3.56Å; C685-K690 WeakPolarHBondContact CA-O 3.43Å; C685-K690 VanDerWaalsContact CB-O 3.24Å; C685-K690 WeakPolarHBondContact CB-O 3.35Å; N686-K690 HydrophobicContact CB-CB 3.96Å; N686-K690 HydrophobicContact CB-CD 4.33Å; N686-K690 PolarHBondContact N-O 2.72Å
691	R	90.8	Very high	91.8	Very high	150 Å²	150	67.9 Å²	67.9	57%	0.566	31%	0.312	S	S	*	.	B	Isolated β-bridge	trans	-130.8	152.6	179.8	68.1	175.9	178.4	-161	-3.5	112.7	Y683 V684 C685	Y683-R691 HydrophobicContact CD2-CB 3.68Å; Y683-R691 HydrophobicContact CE2-CB 3.92Å; Y683-R691 HydrophobicContact CG-CB 4.37Å; V684-R691 CarbonylContact O-C 3.42Å; V684-R691 VanDerWaalsContact O-CA 3.31Å; V684-R691 WeakPolarHBondContact O-CA 3.16Å; C685-R691 HydrophobicContact CB-CB 3.91Å
692	S	92.3	Very high	90.9	Very high	8 Å²	8	68.8 Å²	68.8	6%	0.056	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-68.6	171.5	173.9	74.4	0	0	0	0	111.7	P602 Y683 V684	P602-S692 WeakPolarHBondContact O-CA 3.28Å; P602-S692 WeakPolarHBondContact O-CB 3.12Å; Y683-S692 WeakPolarHBondContact CA-OG 3.17Å; Y683-S692 WeakPolarHBondContact CB-OG 3.28Å; V684-S692 PolarHBondContact N-OG 2.65Å; V684-S692 PolarHBondContact O-N 2.9Å
693	Q	89	Confident	89.3	Confident	176 Å²	176	77.1 Å²	77.1	82%	0.822	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-59.1	142.9	157.1	-176.3	167.4	-6.4	0	0	109.5
694	S	93.8	Very high	87.5	Confident	46 Å²	46	81.7 Å²	81.7	32%	0.322	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-75.8	125.3	176.7	-54.7	0	0	0	0	110.8	F682	F682-S694 CarbonylContact O-C 3.56Å; F682-S694 WeakPolarHBondContact O-CA 3.19Å
695	Q	96.4	Very high	85.2	Confident	59 Å²	59	89.4 Å²	89.4	28%	0.276	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	161.2	169.5	-67.7	-123.9	97.9	0	0	110.4	V604 Q681 F682	V604-Q695 HydrophobicContact CB-CG 4.38Å; V604-Q695 HydrophobicContact CG1-CG 4.08Å; Q681-Q695 CarbonylContact C-O 3.59Å; Q681-Q695 WeakPolarHBondContact CA-O 3.39Å; Q681-Q695 WeakPolarHBondContact CB-O 3.27Å; F682-Q695 HydrophobicContact CD1-CB 3.8Å; F682-Q695 HydrophobicContact CD2-CB 4.38Å; F682-Q695 HydrophobicContact CE1-CB 3.44Å; F682-Q695 VanDerWaalsContact CE1-CB 3.44Å; F682-Q695 HydrophobicContact CE1-CG 4.38Å; F682-Q695 HydrophobicContact CE2-CB 4.05Å; F682-Q695 HydrophobicContact CE2-CG 4.29Å; F682-Q695 HydrophobicContact CG-CB 4.28Å; F682-Q695 HydrophobicContact CZ-CB 3.59Å; F682-Q695 HydrophobicContact CZ-CG 4.04Å; F682-Q695 PolarHBondContact N-O 2.66Å; F682-Q695 PolarHBondContact O-N 3.28Å
696	R	96.6	Very high	82.9	Confident	176 Å²	176	97.1 Å²	97.1	66%	0.664	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	147.5	171.8	-73.2	179.1	168.9	111.1	-1.1	110.7	Q679	Q679-R696 VanDerWaalsContact OE1-CD 3.23Å
697	F	97.6	Very high	80.5	Confident	0 Å²	0	103.4 Å²	103.4	0%	0	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155	169.7	-171.7	-88	0	0	0	109.8	L609 T610 C612 M620 F635 V666 V680 F682 Y699	L609-F697 HydrophobicContact CB-CE2 4.4Å; L609-F697 HydrophobicContact CD2-CE2 4.1Å; L609-F697 HydrophobicContact CD2-CZ 4.2Å; L609-F697 HydrophobicContact CG-CE2 4.02Å; L609-F697 HydrophobicContact CG-CZ 4.44Å; T610-F697 CarbonylContact O-C 3.5Å; T610-F697 WeakPolarHBondContact O-CA 3.28Å; C612-F697 HydrophobicContact CB-CE1 4.2Å; C612-F697 HydrophobicContact CB-CZ 3.72Å; M620-F697 HydrophobicContact SD-CD2 3.95Å; M620-F697 HydrophobicContact SD-CE2 3.83Å; F635-F697 HydrophobicContact CD1-CD1 4.41Å; F635-F697 HydrophobicContact CE1-CB 4.21Å; F635-F697 AromaticContact CE1-CD1 3.76Å; F635-F697 HydrophobicContact CE1-CD1 3.76Å; F635-F697 HydrophobicContact CE1-CD2 4.12Å; F635-F697 HydrophobicContact CE1-CE1 4.08Å; F635-F697 HydrophobicContact CE1-CE2 4.41Å; F635-F697 AromaticContact CE1-CG 3.78Å; F635-F697 HydrophobicContact CE1-CG 3.78Å; F635-F697 HydrophobicContact CE1-CZ 4.38Å; V666-F697 HydrophobicContact CG1-CE1 3.94Å; V666-F697 HydrophobicContact CG1-CZ 3.8Å; V666-F697 HydrophobicContact CG2-CE2 4.38Å; V666-F697 HydrophobicContact CG2-CZ 4.09Å; V680-F697 HydrophobicContact CG2-CB 3.95Å; V680-F697 HydrophobicContact CG2-CD1 4.1Å; V680-F697 PolarHBondContact N-O 2.86Å; V680-F697 PolarHBondContact O-N 3.19Å; V680-F697 VanDerWaalsContact O-O 3.08Å; F682-F697 HydrophobicContact CD1-CB 3.89Å; F682-F697 HydrophobicContact CE1-CB 4.21Å; F682-F697 HydrophobicContact CE1-CD2 4.44Å; F697-Y699 HydrophobicContact CD1-CE2 4.34Å; F697-Y699 HydrophobicContact CE1-CD1 4.14Å; F697-Y699 AromaticContact CE1-CE1 3.88Å; F697-Y699 HydrophobicContact CE1-CE1 3.88Å; F697-Y699 HydrophobicContact CE1-CE2 4.49Å
698	T	97.2	Very high	78.5	Confident	37 Å²	37	108.4 Å²	108.4	23%	0.227	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.5	-174.7	-45.6	0	0	0	0	112.2	T610 S611 C612 A677 V678 L700	T610-T698 PolarHBondContact O-N 2.93Å; S611-T698 CarbonylContact C-O 3.58Å; S611-T698 WeakPolarHBondContact CA-O 3.28Å; S611-T698 WeakPolarHBondContact CB-O 3.49Å; C612-T698 PolarHBondContact N-O 3.29Å; C612-T698 VanDerWaalsContact N-O 3.08Å; A677-T698 HydrophobicContact CB-CG2 3.88Å; V678-T698 CarbonylContact O-C 3.56Å; V678-T698 VanDerWaalsContact O-CA 3.31Å; V678-T698 WeakPolarHBondContact O-CA 3.44Å; T698-L700 HydrophobicContact CG2-CD2 4.31Å
699	Y	97.3	Very high	76.6	Confident	0 Å²	0	108 Å²	108	0%	0	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.6	169.1	-70.9	-72.1	0	0	0	110.5	C612 F635 W646 V666 P667 Y669 A677 V678 V680 F697	C612-Y699 CarbonylContact O-C 3.51Å; C612-Y699 WeakPolarHBondContact O-CA 3.27Å; F635-Y699 HydrophobicContact CD1-CE2 4.44Å; F635-Y699 WeakPolarHBondContact CD1-OH 3.48Å; W646-Y699 AromaticContact CH2-CE2 3.62Å; W646-Y699 HydrophobicContact CH2-CE2 3.62Å; W646-Y699 AromaticContact CH2-CZ 3.98Å; W646-Y699 AromaticContact CZ3-CE2 3.84Å; W646-Y699 HydrophobicContact CZ3-CE2 3.84Å; V666-Y699 HydrophobicContact CG1-CE1 3.8Å; V666-Y699 WeakPolarHBondContact CG1-OH 3.48Å; P667-Y699 PolarHBondContact O-OH 3.27Å; Y669-Y699 AromaticContact CD2-CD2 3.64Å; Y669-Y699 HydrophobicContact CD2-CD2 3.64Å; Y669-Y699 AromaticContact CD2-CE2 3.94Å; Y669-Y699 HydrophobicContact CD2-CE2 3.94Å; Y669-Y699 HydrophobicContact CD2-CG 4.35Å; Y669-Y699 AromaticContact CG-CD2 3.83Å; Y669-Y699 HydrophobicContact CG-CD2 3.83Å; Y669-Y699 HydrophobicContact CG-CE2 4.32Å; Y669-Y699 HydrophobicContact CG-CG 4.08Å; A677-Y699 CarbonylContact C-O 3.55Å; A677-Y699 VanDerWaalsContact CA-O 3.23Å; A677-Y699 WeakPolarHBondContact CA-O 3.36Å; V678-Y699 PolarHBondContact N-O 2.83Å; V678-Y699 PolarHBondContact O-N 3.1Å; V680-Y699 HydrophobicContact CB-CE2 4.49Å; V680-Y699 HydrophobicContact CG1-CD2 3.87Å; V680-Y699 HydrophobicContact CG1-CE2 4.07Å; V680-Y699 HydrophobicContact CG2-CD2 3.93Å; V680-Y699 HydrophobicContact CG2-CE2 3.68Å; F697-Y699 HydrophobicContact CD1-CE2 4.34Å; F697-Y699 HydrophobicContact CE1-CD1 4.14Å; F697-Y699 AromaticContact CE1-CE1 3.88Å; F697-Y699 HydrophobicContact CE1-CE1 3.88Å; F697-Y699 HydrophobicContact CE1-CE2 4.49Å
700	L	94.8	Very high	75.4	Confident	68 Å²	68	102 Å²	102	36%	0.356	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.1	-177.2	-58.4	177.9	0	0	0	110.1	C612 L613 V614 A677 T698	C612-L700 WeakPolarHBondContact O-CB 3.46Å; C612-L700 WeakPolarHBondContact O-CG 3.45Å; C612-L700 PolarHBondContact O-N 3.24Å; L613-L700 HydrophobicContact CD2-CB 4.38Å; V614-L700 WeakPolarHBondContact CG1-O 3.38Å; V614-L700 PolarHBondContact N-O 3.27Å; A677-L700 HydrophobicContact CB-CD2 3.95Å; T698-L700 HydrophobicContact CG2-CD2 4.31Å
701	S	88.4	Confident	72.9	Confident	25 Å²	25	106.3 Å²	106.3	18%	0.175	50%	0.503	C	S	.	.			trans	-59.8	134	175	50.1	0	0	0	0	111.7	V674 M703	V674-S701 WeakPolarHBondContact O-CB 3.47Å; S701-M703 PolarHBondContact O-N 3.25Å
702	V	76.6	Confident	70.9	Confident	85 Å²	85	106.8 Å²	106.8	52%	0.515	52%	0.516	S	S	.	.			trans	-72	103.1	170.9	-179.8	0	0	0	0	108.5	V614 V704	V614-V702 HydrophobicContact CG2-CG2 3.96Å; V702-V704 VanDerWaalsContact C-N 3.27Å; V702-V704 HydrophobicContact CG1-CG2 4.02Å; V702-V704 PolarHBondContact O-N 3.34Å
703	M	64.1	Low	68.7	Low	175 Å²	175	113.3 Å²	113.3	86%	0.862	55%	0.551	S	S	*	*			trans	-72	84.8	169.8	-68.4	-169	74.9	0	0	109.6	S701 K705	S701-M703 PolarHBondContact O-N 3.25Å; M703-K705 PolarHBondContact O-N 3.37Å; M703-K705 VanDerWaalsContact O-N 3.11Å
704	V	57.9	Low	66.4	Low	118 Å²	118	112.2 Å²	112.2	72%	0.715	55%	0.55	S	S	*	.			trans	-62.8	112.3	166.2	-177.8	0	0	0	0	107.3	V702 Q706	V702-V704 VanDerWaalsContact C-N 3.27Å; V702-V704 HydrophobicContact CG1-CG2 4.02Å; V702-V704 PolarHBondContact O-N 3.34Å; V704-Q706 VanDerWaalsContact C-N 3.28Å; V704-Q706 PolarHBondContact O-N 2.65Å
705	K	49.7	Very low	63.7	Low	163 Å²	163	115.2 Å²	115.2	71%	0.709	57%	0.566	S	S	*	*			trans	-66.2	91.4	169.7	-176.7	-154	175.1	-152	0	107.5	M703 E707	M703-K705 PolarHBondContact O-N 3.37Å; M703-K705 VanDerWaalsContact O-N 3.11Å; K705-E707 IonicContact NZ-OE1 2.68Å; K705-E707 PolarHBondContact NZ-OE1 2.65Å; K705-E707 PolarHBondContact O-N 2.63Å
706	Q	45.4	Very low	60.9	Low	173 Å²	173	116.8 Å²	116.8	81%	0.808	59%	0.589	S	S	*	*			trans	-64.4	102.2	175.6	-178.1	172.2	-16.9	0	0	108.7	V704 H708	V704-Q706 VanDerWaalsContact C-N 3.28Å; V704-Q706 PolarHBondContact O-N 2.65Å; Q706-H708 PolarHBondContact O-N 2.79Å
707	E	39.9	Very low	57.9	Low	150 Å²	150	115.1 Å²	115.1	70%	0.701	60%	0.598	S	S	*	*			trans	-72.8	119.6	178.4	-162.2	133.9	-108.4	0	0	108.9	K705 R709	K705-E707 IonicContact NZ-OE1 2.68Å; K705-E707 PolarHBondContact NZ-OE1 2.65Å; K705-E707 PolarHBondContact O-N 2.63Å; E707-R709 PolarHBondContact O-N 3.04Å
708	H	41.8	Very low	55.3	Low	143 Å²	143	120.6 Å²	120.6	66%	0.662	63%	0.634	S	S	*	*			trans	-78.1	106.3	-171.2	-159.4	-104.5	0	0	0	109.7	Q706 D710	Q706-H708 PolarHBondContact O-N 2.79Å; H708-D710 IonicContact CE1-OD1 2.73Å; H708-D710 PolarHBondContact CE1-OD1 3.24Å; H708-D710 IonicContact CE1-OD2 3.62Å; H708-D710 PolarHBondContact CE1-OD2 2.55Å; H708-D710 IonicContact CG-OD2 3.6Å; H708-D710 IonicContact ND1-OD1 3.97Å; H708-D710 PolarHBondContact ND1-OD1 2.69Å; H708-D710 IonicContact ND1-OD2 2.77Å; H708-D710 PolarHBondContact ND1-OD2 2.9Å; H708-D710 PolarHBondContact O-N 3.15Å
709	R	38.8	Very low	53.5	Low	212 Å²	212	124 Å²	124	80%	0.8	66%	0.656	S	S	*	*			trans	-87.5	84.9	172.9	-171.5	-177.5	174.5	177	-1.7	110	E707 E711	E707-R709 PolarHBondContact O-N 3.04Å; R709-E711 IonicContact NH2-OE2 2.63Å; R709-E711 PolarHBondContact NH2-OE2 3.49Å; R709-E711 VanDerWaalsContact NH2-OE2 3.16Å
710	D	46.3	Very low	50.3	Low	113 Å²	113	131.4 Å²	131.4	60%	0.604	69%	0.694	S	S	*	*			trans	-72.6	128.9	162	-72.4	-62.9	0	0	0	110.5	H708	H708-D710 IonicContact CE1-OD1 2.73Å; H708-D710 PolarHBondContact CE1-OD1 3.24Å; H708-D710 IonicContact CE1-OD2 3.62Å; H708-D710 PolarHBondContact CE1-OD2 2.55Å; H708-D710 IonicContact CG-OD2 3.6Å; H708-D710 IonicContact ND1-OD1 3.97Å; H708-D710 PolarHBondContact ND1-OD1 2.69Å; H708-D710 IonicContact ND1-OD2 2.77Å; H708-D710 PolarHBondContact ND1-OD2 2.9Å; H708-D710 PolarHBondContact O-N 3.15Å
711	E	37.3	Very low	47	Very low	155 Å²	155	133.6 Å²	133.6	72%	0.724	72%	0.716	S	S	*	*			trans	-153.3	125.5	154.8	-147.6	170.5	166	0	0	107.5	R709	R709-E711 IonicContact NH2-OE2 2.63Å; R709-E711 PolarHBondContact NH2-OE2 3.49Å; R709-E711 VanDerWaalsContact NH2-OE2 3.16Å
712	L	47.5	Very low	44.5	Very low	161 Å²	161	140.8 Å²	140.8	84%	0.843	75%	0.749	S	S	*	*			trans	-90.1	147.6	-171.1	-84.4	77.5	0	0	0	112.6
713	D	46.2	Very low	42.8	Very low	145 Å²	145	142.2 Å²	142.2	78%	0.775	76%	0.759	S	S	*	*			trans	-81.2	137.3	173.5	170.5	34.4	0	0	0	112.4	T715	D713-T715 PolarHBondContact OD1-N 3.29Å
714	L	41.2	Very low	41.3	Very low	153 Å²	153	140.6 Å²	140.6	80%	0.801	75%	0.753	S	S	*	*			trans	-150.9	98.6	156.2	-83	-170.2	0	0	0	113.7
715	T	36	Very low	39.8	Very low	108 Å²	108	139.2 Å²	139.2	66%	0.663	75%	0.754	S	S	*	*			trans	63.8	98.8	134.4	58.2	0	0	0	0	122.2	D713	D713-T715 PolarHBondContact OD1-N 3.29Å
716	A	38.1	Very low	38.9	Very low	93 Å²	93	139.3 Å²	139.3	77%	0.769	76%	0.757	S	S	*	*				80.7	155.5	113	0	0	0	0	0	124.1
717	V	33.7	Very low	38.2	Very low	140 Å²	140	135.3 Å²	135.3	85%	0.848	75%	0.754	S	S	*	*			trans	88	135.6	173.2	-171.6	0	0	0	0	115.6
718	P	43.2	Very low	38.3	Very low	115 Å²	115	133.6 Å²	133.6	75%	0.747	76%	0.756	S	S	*	*			trans	-119.9	-150.1	-152.1	48.6	-32.7	0	0	0	113
719	P	60.1	Low	37.6	Very low	109 Å²	109	131.7 Å²	131.7	71%	0.708	76%	0.758	S	S	*	*				-120.8	-160.1	-125.1	31.4	-6.5	0	0	0	114.3
720	I	30.2	Very low	37.2	Very low	155 Å²	155	129.2 Å²	129.2	80%	0.795	76%	0.76	S	S	*	*			trans	91.6	106.1	170	-50.4	159.2	0	0	0	115.2
721	S	25.3	Very low	36.4	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	77%	0.77	S	S	*	*				-177.5	105.6	120.3	-77.4	0	0	0	0	112.8
722	M	35.6	Very low	36.1	Very low	176 Å²	176	130.5 Å²	130.5	87%	0.867	77%	0.771	S	S	*	*			trans	-68.9	161.9	144.7	-80.8	-74.3	-174.8	0	0	108.1
723	P	41.4	Very low	36.1	Very low	114 Å²	114	128 Å²	128	74%	0.74	76%	0.764	S	S	*	*			cis	-156.4	169.3	43.2	45.7	-24.7	0	0	0	120.4
724	L	31.8	Very low	35.3	Very low	141 Å²	141	128.5 Å²	128.5	74%	0.738	76%	0.762	S	S	*	*			trans	44.1	116.5	132.6	-173.7	69.5	0	0	0	121.1
725	A	27.2	Very low	34.7	Very low	89 Å²	89	128.6 Å²	128.6	74%	0.736	76%	0.763	S	S	*	*			trans	-157.4	106.5	137.8	0	0	0	0	0	113.6
726	H	30	Very low	35	Very low	165 Å²	165	128.7 Å²	128.7	76%	0.764	77%	0.765	S	S	*	*			trans	39.3	123.1	144.1	-56.6	-73.1	0	0	0	123.4
727	A	31	Very low	34.6	Very low	90 Å²	90	130.2 Å²	130.2	74%	0.744	77%	0.77	S	S	*	*			trans	-61	169.3	147.6	0	0	0	0	0	111.3
728	P	40.9	Very low	35.3	Very low	113 Å²	113	129.3 Å²	129.3	73%	0.734	77%	0.767	S	S	*	*			cis	-149.5	173.8	29.3	44.7	-24.5	0	0	0	119.8
729	S	28.2	Very low	34.7	Very low	103 Å²	103	130.5 Å²	130.5	72%	0.72	77%	0.767	S	S	*	*			trans	60.6	123.3	140.3	-75.2	0	0	0	0	123.5
730	L	30.8	Very low	33.4	Very low	160 Å²	160	134 Å²	134	84%	0.838	77%	0.774	S	S	*	*				100.1	136.4	126.9	-76.6	169	0	0	0	122
731	V	29.6	Very low	33.2	Very low	133 Å²	133	130.5 Å²	130.5	81%	0.806	78%	0.776	S	S	*	*			trans	74.6	123.6	161.8	-133.3	0	0	0	0	121.8
732	H	29.3	Very low	33.5	Very low	162 Å²	162	134 Å²	134	75%	0.75	78%	0.779	S	S	*	*			trans	-49.5	-179.1	150.3	-113.4	11.7	0	0	0	114.9
733	P	49.2	Very low	34	Very low	109 Å²	109	130.4 Å²	130.4	71%	0.708	77%	0.769	S	S	*	*			cis	-139.2	152.8	3.7	29.8	-6.6	0	0	0	118.7
734	Q	27.8	Very low	33.4	Very low	155 Å²	155	129.7 Å²	129.7	72%	0.724	77%	0.767	S	S	*	*				57.9	112.6	127.5	-167	163.2	-39.8	0	0	124.3
735	L	28.6	Very low	33.3	Very low	155 Å²	155	129.8 Å²	129.8	81%	0.812	77%	0.768	S	S	*	*			trans	61.3	170.9	146.7	-102.5	66.3	0	0	0	119.7
736	P	44	Very low	33.4	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	77%	0.767	S	S	*	*			cis	-125.8	167.9	-25.9	36.7	-22.5	0	0	0	113.3
737	S	29.5	Very low	33.4	Very low	124 Å²	124	131 Å²	131	87%	0.867	77%	0.768	S	S	*	*			trans	-153.6	146.3	163.7	-79.8	0	0	0	0	112.3
738	P	48.8	Very low	33.4	Very low	122 Å²	122	134 Å²	134	79%	0.792	77%	0.77	S	S	*	*			trans	-110.3	149.3	-176.6	39.5	-33	0	0	0	116.5
739	D	28.9	Very low	32.7	Very low	140 Å²	140	133.2 Å²	133.2	75%	0.749	77%	0.767	S	S	*	*			trans	33.4	116.4	137.7	-166.3	36.2	0	0	0	122.2
740	Q	32.8	Very low	32.7	Very low	183 Å²	183	133.3 Å²	133.3	86%	0.855	77%	0.768	S	S	*	*				174.3	132.7	113.7	-94.1	-176.7	16.1	0	0	112.6
741	G	26.2	Very low	32.6	Very low	81 Å²	81	130.6 Å²	130.6	84%	0.835	76%	0.762	S	S	*	*			trans	151.9	123.4	166.5	0	0	0	0	0	116.8
742	H	31.7	Very low	32.5	Very low	187 Å²	187	131.8 Å²	131.8	87%	0.866	76%	0.763	S	S	*	*			trans	-90.2	170.5	170.3	-116.6	-103.8	0	0	0	110.7
743	P	46.5	Very low	32.6	Very low	101 Å²	101	131.9 Å²	131.9	66%	0.656	76%	0.764	S	S	*	*			cis	-137.7	-169.3	4.4	41.2	-21.8	0	0	0	116.3
744	S	29.3	Very low	31.5	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	76%	0.762	S	S	*	*			trans	80	138.1	153.6	41.8	0	0	0	0	122.2
745	D	29.4	Very low	31.7	Very low	143 Å²	143	131.9 Å²	131.9	77%	0.765	77%	0.769	S	S	*	*			trans	72.5	125.6	151	-68.9	10.3	0	0	0	124.5
746	N	28	Very low	31.7	Very low	132 Å²	132	128.9 Å²	128.9	71%	0.706	77%	0.767	S	S	*	*			trans	79	110.3	139.3	-75.9	-36.7	0	0	0	123
747	L	31.8	Very low	31.1	Very low	149 Å²	149	130.3 Å²	130.3	78%	0.78	77%	0.774	S	S	*	*				108.6	140.1	117	-80.8	172.6	0	0	0	121.8
748	L	30.9	Very low	31	Very low	152 Å²	152	128.1 Å²	128.1	80%	0.796	77%	0.771	S	S	*	*			trans	75.4	94.3	161.4	-63.3	178	0	0	0	122
749	S	26.1	Very low	30.2	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	78%	0.775	S	S	*	*				88.6	124.4	111.5	-159.5	0	0	0	0	121.7
750	S	27.8	Very low	30.3	Very low	106 Å²	106	125 Å²	125	74%	0.741	77%	0.774	S	S	*	*			trans	56.2	130.5	143.4	57.5	0	0	0	0	119.9
751	S	27.8	Very low	31	Very low	103 Å²	103	123 Å²	123	72%	0.72	78%	0.777	S	S	*	*			cis	-168.5	168.6	-1	56.4	0	0	0	0	109.8
752	L	28.9	Very low	31.1	Very low	158 Å²	158	122.2 Å²	122.2	83%	0.827	77%	0.769	S	S	*	*			trans	170.3	150.8	133.6	-90.8	164	0	0	0	114
753	H	30.3	Very low	31	Very low	163 Å²	163	121.9 Å²	121.9	76%	0.755	77%	0.773	S	S	*	*			trans	4.1	139.5	162.1	-87.5	-78.5	0	0	0	125.7
754	S	26.7	Very low	30.4	Very low	95 Å²	95	124.8 Å²	124.8	66%	0.664	78%	0.782	S	S	*	*			trans	72.5	103.1	131.5	-60	0	0	0	0	123.1
755	L	30.8	Very low	31.3	Very low	169 Å²	169	125.3 Å²	125.3	89%	0.885	78%	0.783	S	S	*	*				32.8	127	128	-62.2	172.6	0	0	0	122.5
756	A	29.9	Very low	31.3	Very low	92 Å²	92	126.6 Å²	126.6	76%	0.76	79%	0.789	S	S	*	*			trans	73.2	151.1	147.6	0	0	0	0	0	118
757	T	30.6	Very low	32	Very low	141 Å²	141	126.1 Å²	126.1	87%	0.865	79%	0.793	S	S	*	*			cis	-158.4	147.1	5.5	-15.5	0	0	0	0	112.4
758	G	28.2	Very low	31.8	Very low	78 Å²	78	122.5 Å²	122.5	80%	0.804	79%	0.792	S	S	*	*			trans	77	158.1	161.4	0	0	0	0	0	117
759	S	31.2	Very low	32.3	Very low	127 Å²	127	121.3 Å²	121.3	89%	0.888	79%	0.793	S	S	*	*			cis	-150.5	166	-4.3	51.6	0	0	0	0	111.3
760	G	30.6	Very low	32.5	Very low	71 Å²	71	122.8 Å²	122.8	73%	0.732	80%	0.802	S	S	*	*			trans	-86.7	-153.7	-175.7	0	0	0	0	0	114.9
761	P	47.5	Very low	32.8	Very low	139 Å²	139	123.2 Å²	123.2	90%	0.903	80%	0.802	S	S	*	*			cis	-118.6	-178.9	10.1	42	-29.8	0	0	0	113.6
762	G	28.2	Very low	33.2	Very low	66 Å²	66	123.7 Å²	123.7	68%	0.68	81%	0.806	S	S	*	*			cis	147.5	149.6	-7.3	0	0	0	0	0	112.7
763	L	30.9	Very low	33.1	Very low	179 Å²	179	123.5 Å²	123.5	94%	0.937	81%	0.805	S	S	*	*			trans	-175.7	171.2	157.5	-101.2	170.7	0	0	0	109.9
764	L	34.4	Very low	32.9	Very low	162 Å²	162	120.1 Å²	120.1	85%	0.848	80%	0.799	S	S	*	*			trans	-125.9	-174.2	-162.7	-57.1	170.7	0	0	0	112.1
765	P	46.3	Very low	33	Very low	111 Å²	111	120.7 Å²	120.7	72%	0.721	80%	0.803	S	S	*	*			cis	-134.1	160.3	-16.7	34	-16.4	0	0	0	115.9
766	L	31.1	Very low	33.2	Very low	170 Å²	170	117.7 Å²	117.7	89%	0.89	79%	0.794	S	S	*	*			trans	-174.2	153.3	131.4	-124	64.6	0	0	0	110.8
767	P	41.5	Very low	33.8	Very low	121 Å²	121	119.1 Å²	119.1	79%	0.786	80%	0.795	S	S	*	*			trans	-101.8	153.9	-174.2	37.6	-30.5	0	0	0	114.6
768	G	28.7	Very low	33.8	Very low	73 Å²	73	120.6 Å²	120.6	75%	0.753	79%	0.79	S	S	*	*			trans	-90.1	-158.7	164.9	0	0	0	0	0	112.7
769	P	40.8	Very low	33.8	Very low	127 Å²	127	124.4 Å²	124.4	83%	0.825	79%	0.787	S	S	*	*			cis	-120.9	161.7	7.1	40.4	-28.3	0	0	0	114.7
770	C	29.4	Very low	33.6	Very low	128 Å²	128	127.1 Å²	127.1	87%	0.865	79%	0.785	S	S	*	*			trans	-145.1	151.4	164.2	-91	0	0	0	0	111.7
771	P	34.1	Very low	33.5	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	79%	0.786	S	S	*	*			trans	-90.6	179.1	-178.8	37.8	-36.5	0	0	0	113.5
772	S	36.5	Very low	33.4	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	78%	0.775	S	S	*	*			trans	-55.9	131.8	178.2	53.6	0	0	0	0	115.3
773	L	28.1	Very low	33.6	Very low	154 Å²	154	132.1 Å²	132.1	81%	0.806	77%	0.773	S	S	*	*			trans	-152.6	111.9	162	-105.1	151.7	0	0	0	111.9
774	S	25.9	Very low	33.5	Very low	91 Å²	91	130.5 Å²	130.5	64%	0.636	76%	0.764	S	S	*	*			trans	55.5	157.2	130.5	73.5	0	0	0	0	124.7
775	S	28.1	Very low	33.3	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	75%	0.752	S	S	*	*			trans	97.5	156.9	143.6	-50.6	0	0	0	0	118.1
776	P	36	Very low	32.4	Very low	107 Å²	107	127 Å²	127	70%	0.695	75%	0.752	S	S	*	*			cis	-126.4	173.2	-5.5	40.6	-27.1	0	0	0	114.8
777	P	41.4	Very low	32.4	Very low	121 Å²	121	126.1 Å²	126.1	79%	0.786	74%	0.744	S	S	*	*			trans	-126.7	133	146.3	35.6	-24.5	0	0	0	112.6
778	F	30	Very low	31.7	Very low	173 Å²	173	124.9 Å²	124.9	76%	0.759	74%	0.737	S	S	*	*			trans	-134.3	114.4	168.3	-93.6	-103.8	0	0	0	108.1
779	Q	28.3	Very low	31.8	Very low	158 Å²	158	127.9 Å²	127.9	74%	0.738	74%	0.736	S	S	*	*				81.3	116.8	84.9	-79	-165.3	25.8	0	0	114.5
780	H	27.8	Very low	31.1	Very low	183 Å²	183	129.2 Å²	129.2	85%	0.847	73%	0.73	S	S	*	*				-152.8	149.1	114.3	-138.7	-91.5	0	0	0	111.9
781	L	28.9	Very low	31	Very low	142 Å²	142	131.2 Å²	131.2	74%	0.743	73%	0.727	S	S	*	*			trans	-113.8	-177.8	171.3	-147.5	78.6	0	0	0	108.1
782	P	45.5	Very low	32.6	Very low	103 Å²	103	130.3 Å²	130.3	67%	0.669	72%	0.721	S	S	*	*				-152.4	161.4	65.4	39.5	-18.7	0	0	0	117.9
783	H	31	Very low	32.8	Very low	137 Å²	137	130.8 Å²	130.8	63%	0.634	72%	0.721	S	S	*	*			trans	61.6	150.5	149.7	-92.9	-67.8	0	0	0	120.4	Q785	H783-Q785 PolarHBondContact CE1-OE1 2.87Å; H783-Q785 VanDerWaalsContact CE1-OE1 3.25Å
784	L	30	Very low	33	Very low	145 Å²	145	127 Å²	127	76%	0.759	71%	0.712	S	S	*	*			cis	-122.1	135.7	-9.7	-76.6	136.6	0	0	0	107.1
785	Q	29.9	Very low	33	Very low	128 Å²	128	129.8 Å²	129.8	60%	0.598	72%	0.72	S	S	*	*				82.9	135	57.3	-83.8	-168.8	-24	0	0	116.2	H783 H787	H783-Q785 PolarHBondContact CE1-OE1 2.87Å; H783-Q785 VanDerWaalsContact CE1-OE1 3.25Å; Q785-H787 PolarHBondContact NE2-NE2 3.15Å
786	G	26.7	Very low	33	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	72%	0.722	S	S	*	*			trans	134.4	52.9	-166.7	0	0	0	0	0	111.6
787	H	31.8	Very low	32.4	Very low	153 Å²	153	133.7 Å²	133.7	71%	0.708	73%	0.728	S	S	*	*				59.6	133.9	67.7	-83.6	-40	0	0	0	113.5	Q785	Q785-H787 PolarHBondContact NE2-NE2 3.15Å
788	S	28	Very low	31.6	Very low	94 Å²	94	136.4 Å²	136.4	66%	0.657	73%	0.733	S	S	*	*			cis	-158.6	170.9	-0.1	-72	0	0	0	0	108.4
789	L	29.7	Very low	31.4	Very low	136 Å²	136	132.7 Å²	132.7	71%	0.712	72%	0.724	S	S	*	*			cis	-164	-172.7	-25.4	-94.1	168.5	0	0	0	104.2
790	H	25.3	Very low	31.3	Very low	155 Å²	155	133.3 Å²	133.3	72%	0.718	73%	0.725	S	S	*	*			cis	-150.8	-169.5	7	-162.7	-105.1	0	0	0	108.5
791	H	28.3	Very low	31.2	Very low	170 Å²	170	132.4 Å²	132.4	79%	0.787	72%	0.721	S	S	*	*			trans	-130.9	-153.6	163	-143.7	-0.3	0	0	0	111.2
792	P	66.6	Low	31	Very low	95 Å²	95	135 Å²	135	62%	0.617	73%	0.729	S	S	*	*			trans	-85.1	-173.3	-153.7	41.9	-41.5	0	0	0	114.7
793	P	42.5	Very low	30	Very low	124 Å²	124	134 Å²	134	81%	0.805	74%	0.737	S	S	*	*				-143.3	-177.9	110	38	-23.8	0	0	0	113.3
794	A	31.7	Very low	29.8	Very low	75 Å²	75	132.8 Å²	132.8	62%	0.62	74%	0.744	S	S	*	*			cis	-173.4	173.2	-38.1	0	0	0	0	0	108.8
795	D	26.3	Very low	29.9	Very low	150 Å²	150	131.9 Å²	131.9	80%	0.802	75%	0.745	S	S	*	*			trans	66	152.1	155.9	-59.9	-41	0	0	0	119.8
796	C	27	Very low	29.9	Very low	117 Å²	117	132 Å²	132	79%	0.791	76%	0.756	S	S	*	*			cis	-152.2	170.5	-6.3	-132.1	0	0	0	0	112.2
797	H	24.8	Very low	30	Very low	178 Å²	178	132.7 Å²	132.7	82%	0.824	76%	0.755	S	S	*	*			trans	-87.7	159.7	171.2	-81.8	-104	0	0	0	113
798	M	24.2	Very low	30.8	Very low	178 Å²	178	130.9 Å²	130.9	88%	0.877	76%	0.757	S	S	*	*			trans	-163.3	170	134.2	-107.7	-54.6	-89.1	0	0	112
799	T	25	Very low	31.3	Very low	95 Å²	95	132.4 Å²	132.4	58%	0.583	77%	0.765	S	S	*	*			trans	-147.7	156.5	-175.7	-40.1	0	0	0	0	112.5
800	F	26.6	Very low	31.2	Very low	171 Å²	171	136.2 Å²	136.2	75%	0.75	77%	0.77	S	S	*	*			trans	97.6	136.1	153.6	-84.6	-65.5	0	0	0	123.6
801	H	24.6	Very low	31.9	Very low	165 Å²	165	134.7 Å²	134.7	76%	0.764	77%	0.773	S	S	*	*			trans	83	165.5	152.1	-67.7	-51.3	0	0	0	122
802	Q	25.2	Very low	31.8	Very low	196 Å²	196	130.7 Å²	130.7	92%	0.916	76%	0.761	S	S	*	*			trans	-114.5	157.4	-149.1	-63.2	171.2	-22.5	0	0	113.2
803	G	24.6	Very low	29.9	Very low	81 Å²	81	137.1 Å²	137.1	84%	0.835	77%	0.774	S	S	*	*			trans	-163	148.7	168.4	0	0	0	0	0	111.6
804	S	26.7	Very low	29.1	Very low	112 Å²	112	140 Å²	140	78%	0.783	78%	0.777	S	S	*	*			trans	-117.6	134.8	-160.8	58.4	0	0	0	0	116.6
805	V	32.5	Very low	29.9	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	78%	0.78	S	S	*	*			trans	27.1	133.3	131.7	-171.6	0	0	0	0	119.4
806	P	29.9	Very low	29.9	Very low	130 Å²	130	141.2 Å²	141.2	84%	0.844	78%	0.778	S	S	*	*				-119.8	145.2	126.2	-3.3	23.9	0	0	0	114.5
807	A	27.9	Very low	29.9	Very low	84 Å²	84	142.6 Å²	142.6	69%	0.694	77%	0.773	S	S	*	*			trans	-100.7	-163.9	158.2	0	0	0	0	0	108
808	P	49.7	Very low	30.1	Very low	116 Å²	116	142.6 Å²	142.6	75%	0.753	77%	0.773	S	S	*	*			cis	-130.2	-154.2	11.7	41.9	-18.5	0	0	0	110.8
809	P	37.9	Very low	30.2	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	77%	0.767	S	S	*	*			cis	-138.5	180	6.6	42.7	-21.7	0	0	0	119.9
810	R	28.6	Very low	31	Very low	217 Å²	217	140 Å²	140	82%	0.819	77%	0.774	S	S	*	*			trans	-82.4	167.2	177	-121.4	172.7	-177	178.4	1	111.8	T812	R810-T812 WeakPolarHBondContact CD-OG1 3.29Å
811	P	39.3	Very low	31.2	Very low	122 Å²	122	136.1 Å²	136.1	79%	0.792	77%	0.768	S	S	*	*				-127.8	170.4	64.8	18.4	4.4	0	0	0	114
812	T	25.8	Very low	31.5	Very low	86 Å²	86	136.5 Å²	136.5	53%	0.528	77%	0.77	S	S	.	*			cis	99.5	133.9	18.8	-40	0	0	0	0	115.4	R810	R810-T812 WeakPolarHBondContact CD-OG1 3.29Å
813	Y	27.1	Very low	31.7	Very low	230 Å²	230	131.2 Å²	131.2	90%	0.902	75%	0.754	S	S	*	*			trans	91.8	166.7	172.4	-78.1	-70.4	0	0	0	120.2
814	Q	25.3	Very low	32	Very low	184 Å²	184	134.9 Å²	134.9	86%	0.86	75%	0.754	S	S	*	*			trans	-133.2	-160.5	-147.8	-136.2	-160.3	-11.6	0	0	111.3
815	P	48.8	Very low	32.2	Very low	104 Å²	104	134.8 Å²	134.8	68%	0.675	75%	0.753	S	S	*	*			trans	-102.5	166.5	-140.3	42.8	-32.7	0	0	0	115.9
816	L	25.6	Very low	31.9	Very low	148 Å²	148	137.1 Å²	137.1	78%	0.775	75%	0.753	S	S	*	*			trans	-159.1	171.1	134.4	-151.7	49.7	0	0	0	113.5
817	Q	27.5	Very low	31.9	Very low	145 Å²	145	137.4 Å²	137.4	68%	0.678	75%	0.748	S	S	*	*			trans	-51.9	163.9	-176.8	-58.6	144.4	-17.9	0	0	116.8
818	H	28.8	Very low	31.9	Very low	178 Å²	178	136.9 Å²	136.9	82%	0.824	75%	0.751	S	S	*	*				-178.4	144.2	107.5	-103	-87.9	0	0	0	112.8
819	S	26.7	Very low	30.8	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	76%	0.756	S	S	*	*			trans	-97.1	171.3	172.9	-41	0	0	0	0	110.8
820	P	42.5	Very low	31.3	Very low	112 Å²	112	139.1 Å²	139.1	73%	0.727	75%	0.749	S	S	*	*				-157.8	163.5	79.6	43.1	-23.3	0	0	0	119.6
821	S	29.7	Very low	31.1	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	75%	0.751	S	S	*	*			trans	45.8	136	140.6	64.1	0	0	0	0	124.9
822	H	31.3	Very low	30.7	Very low	174 Å²	174	136.8 Å²	136.8	81%	0.806	76%	0.755	S	S	*	*				163.9	154.3	124	-87.8	-65.5	0	0	0	110.9
823	S	30.4	Very low	31.6	Very low	85 Å²	85	137.7 Å²	137.7	59%	0.594	76%	0.762	S	S	*	*				-170.7	166.1	-53.5	41.7	0	0	0	0	111
824	L	30.9	Very low	31.6	Very low	157 Å²	157	131.6 Å²	131.6	82%	0.822	75%	0.753	S	S	*	*			trans	82.1	132.6	175.6	-47.4	174.8	0	0	0	115.4
825	S	28.9	Very low	31.8	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	75%	0.747	S	S	*	*			cis	96.6	143.4	33.6	-58.6	0	0	0	0	112.8
826	F	27.1	Very low	30.7	Very low	176 Å²	176	129.3 Å²	129.3	77%	0.772	74%	0.743	S	S	*	*			cis	-163.7	155.4	23.1	-164.2	-125	0	0	0	114.8
827	N	29.2	Very low	30.9	Very low	136 Å²	136	131.9 Å²	131.9	73%	0.727	74%	0.743	S	S	*	*			trans	21.3	147.3	159.5	-69.5	6	0	0	0	127
828	G	28	Very low	30.8	Very low	74 Å²	74	131.8 Å²	131.8	76%	0.763	74%	0.743	S	S	*	*			trans	174.9	125.9	153.2	0	0	0	0	0	116.2
829	Q	27.3	Very low	30.9	Very low	186 Å²	186	131.1 Å²	131.1	87%	0.869	73%	0.733	S	S	*	*			trans	-151	179.3	-178.4	-80.6	-83.9	-62.1	0	0	109
830	P	48.7	Very low	31	Very low	102 Å²	102	133.7 Å²	133.7	66%	0.662	74%	0.735	S	S	*	*			cis	-134.2	176.5	-49.9	39.6	-24.9	0	0	0	113.3
831	S	24.4	Very low	30.3	Very low	121 Å²	121	132.6 Å²	132.6	85%	0.846	73%	0.73	S	S	*	*			trans	173.3	149.2	138.8	56.9	0	0	0	0	115.9
832	L	30.2	Very low	30.3	Very low	169 Å²	169	137.1 Å²	137.1	89%	0.885	74%	0.739	S	S	*	*			trans	-119.5	-179.9	163.6	-89.5	165.9	0	0	0	107.7
833	P	45.5	Very low	30.2	Very low	105 Å²	105	136 Å²	136	68%	0.682	73%	0.734	S	S	*	*			cis	-151.6	-170.9	22.7	43.8	-21.4	0	0	0	119.3
834	S	26.8	Very low	30.1	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	74%	0.743	S	S	*	*			trans	99	141.7	134.1	-76.6	0	0	0	0	125.3
835	Q	28.6	Very low	29.9	Very low	159 Å²	159	137.5 Å²	137.5	74%	0.743	74%	0.74	S	S	*	*			trans	83.2	143.1	156.9	-54.4	-119.2	14.4	0	0	118
836	S	25.9	Very low	30.9	Very low	82 Å²	82	138.1 Å²	138.1	57%	0.573	74%	0.741	S	S	*	*			cis	-174.6	136.7	-1.5	40.6	0	0	0	0	116.4
837	Y	30.5	Very low	31.3	Very low	202 Å²	202	136.3 Å²	136.3	79%	0.792	75%	0.745	S	S	*	*			trans	54.9	176.1	143.1	-48.7	-45.3	0	0	0	122
838	E	26.5	Very low	31.7	Very low	142 Å²	142	134 Å²	134	66%	0.664	74%	0.744	S	S	*	*			cis	-171.1	168	-47.5	-90	-123.7	-8.4	0	0	109.6
839	R	29.3	Very low	32	Very low	165 Å²	165	136.5 Å²	136.5	62%	0.623	75%	0.745	S	S	*	*			cis	174.1	128	-22.1	173.4	-110.1	-158.2	82.6	0.3	114.5
840	M	29.9	Very low	32.1	Very low	161 Å²	161	132.5 Å²	132.5	79%	0.793	74%	0.737	S	S	*	*			trans	65.2	171	164.2	-69.3	170.2	176	0	0	118.2
841	S	27.7	Very low	31.7	Very low	89 Å²	89	135.9 Å²	135.9	62%	0.622	74%	0.744	S	S	*	*			cis	-165.2	165.5	4.1	-136.1	0	0	0	0	117.2
842	F	30.3	Very low	33.5	Very low	183 Å²	183	135.1 Å²	135.1	80%	0.803	74%	0.736	S	S	*	*			trans	80.8	141.4	140.3	-84.6	-51.9	0	0	0	129.2
843	Q	27.3	Very low	33.8	Very low	150 Å²	150	135 Å²	135	70%	0.701	73%	0.734	S	S	*	*			trans	77.3	148.8	141.2	-80.8	-172.6	9.7	0	0	122.7
844	Q	28.7	Very low	33.2	Very low	167 Å²	167	133 Å²	133	78%	0.78	73%	0.733	S	S	*	*			cis	-159.9	-178.1	-17.4	-137.7	169.4	23.2	0	0	114.1
845	S	28.1	Very low	33.6	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	75%	0.745	S	S	*	*			trans	-96.2	-171.8	-172	-42.9	0	0	0	0	115.9
846	P	49.3	Very low	33.6	Very low	122 Å²	122	132.6 Å²	132.6	79%	0.792	74%	0.744	S	S	*	*				-155.6	164.3	98.6	39.1	-19	0	0	0	121.7
847	T	35.1	Very low	33.9	Very low	139 Å²	139	136.4 Å²	136.4	85%	0.853	76%	0.756	S	S	*	*			trans	-18.2	168.5	165.9	48	0	0	0	0	123.6
848	A	37.4	Very low	33.8	Very low	86 Å²	86	132 Å²	132	71%	0.711	75%	0.75	S	S	*	*			cis	-176.6	-171.6	-13.8	0	0	0	0	0	108.9
849	T	35.3	Very low	33.9	Very low	128 Å²	128	135.4 Å²	135.4	79%	0.785	76%	0.758	S	S	*	*			cis	-137.5	-115.3	7.5	-40.2	0	0	0	0	112.9
850	S	29.7	Very low	33.8	Very low	102 Å²	102	132.3 Å²	132.3	71%	0.713	76%	0.762	S	S	*	*			cis	-159.5	-174.2	2.2	65.4	0	0	0	0	113.3
851	H	39	Very low	33.7	Very low	173 Å²	173	130.1 Å²	130.1	80%	0.801	76%	0.762	S	S	*	*			trans	-148.8	-172.2	-167.4	-60	-54.9	0	0	0	113.5
852	P	61.8	Low	33.6	Very low	104 Å²	104	131 Å²	131	68%	0.675	77%	0.769	S	S	*	*			cis	-148.6	178.3	6.5	46.7	-26.5	0	0	0	120.9
853	I	36.7	Very low	33.3	Very low	166 Å²	166	127.3 Å²	127.3	85%	0.851	76%	0.764	S	S	*	*			trans	55.5	147.1	146.2	-67.5	158.1	0	0	0	121.4
854	G	32.8	Very low	33.2	Very low	64 Å²	64	125 Å²	125	66%	0.66	77%	0.765	S	S	*	*			cis	156.3	163.7	-10.7	0	0	0	0	0	116.3
855	L	35.2	Very low	33.6	Very low	182 Å²	182	122.2 Å²	122.2	95%	0.953	76%	0.764	S	S	*	*			trans	82.2	147	163.5	-56.1	175.9	0	0	0	123.1
856	G	29.1	Very low	34.2	Very low	70 Å²	70	122.8 Å²	122.8	72%	0.722	77%	0.765	S	S	*	*			trans	115.4	110.6	170.5	0	0	0	0	0	115.3
857	I	31.5	Very low	33.7	Very low	162 Å²	162	121.7 Å²	121.7	83%	0.831	76%	0.76	S	S	*	*			cis	71.8	122.9	24	-71.4	179.3	0	0	0	112.5
858	V	29.5	Very low	33.8	Very low	109 Å²	109	117.4 Å²	117.4	66%	0.661	74%	0.739	S	S	*	*			cis	-161.1	144.4	6.8	114.7	0	0	0	0	114.2
859	Y	28.6	Very low	34	Very low	213 Å²	213	120 Å²	120	84%	0.835	74%	0.74	S	S	*	*			trans	59.8	160	146.8	-80	-141.8	0	0	0	125.8
860	S	27.1	Very low	33.8	Very low	100 Å²	100	119.1 Å²	119.1	70%	0.699	74%	0.739	S	S	*	*			trans	78.3	119.9	151.8	23.7	0	0	0	0	117.5
861	S	27.3	Very low	33.8	Very low	115 Å²	115	119.1 Å²	119.1	80%	0.804	74%	0.739	S	S	*	*				71.5	132.2	57.7	-54.5	0	0	0	0	111.4
862	S	25.3	Very low	33.4	Very low	108 Å²	108	115.9 Å²	115.9	76%	0.755	74%	0.736	S	S	*	*			cis	-143.8	168.7	33.2	-81.3	0	0	0	0	116
863	C	23.5	Very low	32.2	Very low	105 Å²	105	116.6 Å²	116.6	71%	0.709	74%	0.74	S	S	*	*			trans	-40.5	163.6	155.7	56.2	0	0	0	0	114.8
864	S	26.1	Very low	31.6	Very low	103 Å²	103	113.9 Å²	113.9	72%	0.72	73%	0.732	S	S	*	*			cis	-155	140	39.2	-55.4	0	0	0	0	117.2
865	S	37.8	Very low	31.3	Very low	108 Å²	108	118.1 Å²	118.1	76%	0.755	74%	0.74	S	S	*	*				2.6	150.4	119.4	-45.1	0	0	0	0	118.2
866	P	39.9	Very low	31.3	Very low	119 Å²	119	113.8 Å²	113.8	77%	0.773	72%	0.722	S	S	*	*				-145	-165.1	53.3	40.1	-18.8	0	0	0	116.9
867	S	38.3	Very low	31.4	Very low	99 Å²	99	118.2 Å²	118.2	69%	0.692	73%	0.728	S	S	*	*			trans	-152.9	154.4	-159.6	51.9	0	0	0	0	115	Q882	S867-Q882 PolarHBondContact O-NE2 3.28Å
868	A	37.1	Very low	31.6	Very low	49 Å²	49	117 Å²	117	41%	0.405	73%	0.728	S	S	.	*			trans	-170.7	172.7	161.3	0	0	0	0	0	112.9	S880 P881 Q882	A868-S880 WeakPolarHBondContact CB-OG 3.25Å; A868-P881 HydrophobicContact CB-CB 4.13Å; A868-Q882 HydrophobicContact CB-CG 3.89Å
869	L	42.7	Very low	31.7	Very low	140 Å²	140	115.5 Å²	115.5	73%	0.733	73%	0.734	S	S	*	*			trans	-111.7	155.3	-166.6	-51.8	87.3	0	0	0	114.6	S880	L869-S880 PolarHBondContact N-OG 3.1Å; L869-S880 WeakPolarHBondContact O-CB 3.47Å; L869-S880 PolarHBondContact O-OG 2.79Å
870	S	30	Very low	31.6	Very low	111 Å²	111	108 Å²	108	78%	0.776	71%	0.713	S	S	*	*				179.9	148.8	119.8	-82.4	0	0	0	0	115.6
871	S	30.6	Very low	31.9	Very low	101 Å²	101	108.2 Å²	108.2	71%	0.706	71%	0.712	S	S	*	*			trans	56.3	129.7	144.7	64.7	0	0	0	0	123.7
872	S	31.4	Very low	32	Very low	106 Å²	106	108.6 Å²	108.6	74%	0.741	70%	0.701	S	S	*	*			trans	81.7	161.7	133.8	-67.7	0	0	0	0	120.6
873	P	35.6	Very low	32.2	Very low	118 Å²	118	108.9 Å²	108.9	77%	0.766	69%	0.694	S	S	*	*	S	Bend	trans	-53.1	145.2	152.8	26.3	-37.1	0	0	0	111.3
874	T	23.9	Very low	32.6	Very low	110 Å²	110	111.8 Å²	111.8	68%	0.675	70%	0.697	S	S	*	*			trans	-61	139.4	151.3	46.2	0	0	0	0	108.1	P876	T874-P876 HydrophobicContact CG2-CB 4.2Å
875	N	27.6	Very low	32.7	Very low	153 Å²	153	115.4 Å²	115.4	82%	0.818	70%	0.702	S	S	*	*	S	Bend		-140.5	145.4	62.2	-86.2	-34	0	0	0	112.4
876	P	34.3	Very low	33.1	Very low	91 Å²	91	114.8 Å²	114.8	59%	0.591	70%	0.696	S	S	*	*				-137.4	158.9	-88	34.8	-19.6	0	0	0	114.4	T874	T874-P876 HydrophobicContact CG2-CB 4.2Å
877	I	30.3	Very low	32.4	Very low	162 Å²	162	116.5 Å²	116.5	83%	0.831	70%	0.695	S	S	*	*			trans	-172.5	129.9	148.7	-103.3	151	0	0	0	111.9
878	V	37.5	Very low	31.9	Very low	137 Å²	137	118.8 Å²	118.8	83%	0.83	70%	0.699	S	S	*	*			trans	39.5	119.8	148.1	-173.7	0	0	0	0	122.1
879	G	30.6	Very low	31.4	Very low	77 Å²	77	122.2 Å²	122.2	79%	0.794	72%	0.72	S	S	*	*				83.6	137.3	118	0	0	0	0	0	121.5
880	S	27	Very low	31.4	Very low	56 Å²	56	121.7 Å²	121.7	39%	0.392	73%	0.725	S	S	.	*			trans	-110.2	163	173	-160	0	0	0	0	110.4	A868 L869	A868-S880 WeakPolarHBondContact CB-OG 3.25Å; L869-S880 PolarHBondContact N-OG 3.1Å; L869-S880 WeakPolarHBondContact O-CB 3.47Å; L869-S880 PolarHBondContact O-OG 2.79Å
881	P	34	Very low	31.7	Very low	105 Å²	105	121.4 Å²	121.4	68%	0.682	72%	0.723	S	S	*	*				-153.6	159.3	84	39.5	-20.2	0	0	0	118.3	A868	A868-P881 HydrophobicContact CB-CB 4.13Å
882	Q	28.1	Very low	31.9	Very low	123 Å²	123	122 Å²	122	58%	0.575	73%	0.727	S	S	*	*			trans	46.8	149.5	142.2	-57.6	-177.7	-1.9	0	0	120.7	S867 A868	S867-Q882 PolarHBondContact O-NE2 3.28Å; A868-Q882 HydrophobicContact CB-CG 3.89Å
883	N	30.4	Very low	32.7	Very low	113 Å²	113	122.8 Å²	122.8	60%	0.604	73%	0.729	S	S	*	*			cis	-167.7	171.9	43.4	-151.4	-12.6	0	0	0	114.6
884	H	31.7	Very low	32.4	Very low	167 Å²	167	125.2 Å²	125.2	77%	0.773	73%	0.73	S	S	*	*			trans	74.7	131.2	160.6	-61	-51.2	0	0	0	122.8
885	Q	27.5	Very low	32.8	Very low	179 Å²	179	126 Å²	126	84%	0.836	73%	0.73	S	S	*	*			trans	-106.6	-173.7	168.2	-118.9	-167.2	18.3	0	0	108.3
886	P	45.8	Very low	32.9	Very low	95 Å²	95	126.5 Å²	126.5	62%	0.617	73%	0.727	S	S	*	*			cis	-138.4	-166.5	-10.8	26.2	0	0	0	0	114.8
887	M	26.9	Very low	32.9	Very low	154 Å²	154	128.2 Å²	128.2	76%	0.759	74%	0.736	S	S	*	*			trans	91.7	106	151	-61.4	-48.9	-137.6	0	0	122.3
888	L	27.9	Very low	32.9	Very low	148 Å²	148	128.7 Å²	128.7	78%	0.775	74%	0.739	S	S	*	*				54.2	135.3	122.4	-60.3	174.5	0	0	0	121.7
889	S	26.3	Very low	32.5	Very low	120 Å²	120	126 Å²	126	84%	0.839	74%	0.739	S	S	*	*			trans	-151.3	133.5	156.1	-67.7	0	0	0	0	110.2
890	P	42.7	Very low	32.6	Very low	129 Å²	129	125.3 Å²	125.3	84%	0.838	73%	0.732	S	S	*	*			trans	-91.3	178.8	175.7	36.3	-34.2	0	0	0	113.4
891	S	35.7	Very low	32.7	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	76%	0.757	S	S	*	*			trans	-62.9	142.6	-170.3	50.6	0	0	0	0	118.3
892	S	34.9	Very low	32.6	Very low	114 Å²	114	136 Å²	136	80%	0.797	76%	0.764	S	S	*	*			trans	40.3	142.7	133.9	-57.7	0	0	0	0	121.1
893	P	48.2	Very low	32.6	Very low	121 Å²	121	136.3 Å²	136.3	79%	0.786	78%	0.777	S	S	*	*			cis	-155.7	173.1	47.3	44.8	-24	0	0	0	120
894	H	29.3	Very low	32.6	Very low	169 Å²	169	136.4 Å²	136.4	78%	0.782	79%	0.787	S	S	*	*			trans	48.5	145.9	146	-119.6	23.4	0	0	0	126.1
895	L	32.1	Very low	33.6	Very low	126 Å²	126	134.5 Å²	134.5	66%	0.66	79%	0.79	S	S	*	*			trans	73.2	162.9	157.1	-59.8	168.4	0	0	0	117.7
896	H	29.7	Very low	33.8	Very low	164 Å²	164	133 Å²	133	76%	0.759	79%	0.788	S	S	*	*			cis	-149	-171.9	8.1	-129.6	-36.5	0	0	0	113.4
897	T	34.9	Very low	34	Very low	127 Å²	127	133.5 Å²	133.5	78%	0.779	79%	0.791	S	S	*	*			trans	-117.7	162.3	-178.5	-49.5	0	0	0	0	111.4
898	L	29.8	Very low	34.1	Very low	173 Å²	173	130.6 Å²	130.6	91%	0.906	79%	0.785	S	S	*	*			trans	-135.7	141.2	168.6	-89.4	149.4	0	0	0	108.3
899	G	28.9	Very low	34.1	Very low	80 Å²	80	131.8 Å²	131.8	83%	0.825	79%	0.787	S	S	*	*			cis	-178.7	172.2	-6.4	0	0	0	0	0	108
900	G	31.9	Very low	34.2	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	79%	0.785	S	S	*	*			cis	175.9	-176.2	-2.5	0	0	0	0	0	111.5
901	F	30.4	Very low	34.6	Very low	207 Å²	207	131.3 Å²	131.3	91%	0.908	78%	0.778	S	S	*	*			trans	84.8	153.5	173.2	-51.9	-70.2	0	0	0	119.1
902	H	31	Very low	34.2	Very low	179 Å²	179	131 Å²	131	83%	0.829	78%	0.776	S	S	*	*			trans	-139.5	158.6	-156.4	-63.5	-114.1	0	0	0	113.5
903	C	28.7	Very low	33.9	Very low	128 Å²	128	134.6 Å²	134.6	87%	0.865	78%	0.781	S	S	*	*				162.7	158.7	121.1	-87.3	0	0	0	0	114.7
904	S	31	Very low	32.9	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	78%	0.783	S	S	*	*			trans	-106	-173.5	179	-47	0	0	0	0	110.6
905	P	53	Low	32.8	Very low	127 Å²	127	128.6 Å²	128.6	83%	0.825	79%	0.786	S	S	*	*			cis	-142.3	-163.5	11.2	44.5	-22.6	0	0	0	117.2
906	N	30.5	Very low	32.6	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	80%	0.796	S	S	*	*			trans	-88.3	153.5	178	-167.6	19	0	0	0	112.1
907	P	50.5	Low	33.5	Very low	105 Å²	105	128.6 Å²	128.6	68%	0.682	79%	0.791	S	S	*	*				-162.4	179.6	96.4	41.5	-20.1	0	0	0	119.4
908	S	29.4	Very low	33.2	Very low	92 Å²	92	130.1 Å²	130.1	64%	0.643	79%	0.794	S	S	*	*			trans	107.6	121.4	139	-65.1	0	0	0	0	124.7
909	Q	27.7	Very low	33.1	Very low	173 Å²	173	127.2 Å²	127.2	81%	0.808	79%	0.788	S	S	*	*			trans	63	133.3	134.6	-58.6	170.6	3.3	0	0	121.3
910	V	27.5	Very low	32.9	Very low	132 Å²	132	126.7 Å²	126.7	80%	0.8	78%	0.783	S	S	*	*			cis	81.1	138.8	28.8	-178.8	0	0	0	0	113.4
911	P	51.2	Low	32.7	Very low	107 Å²	107	132.3 Å²	132.3	70%	0.695	79%	0.792	S	S	*	*			cis	-137	-164.4	-3.8	37.8	-16	0	0	0	117.1
912	S	28.5	Very low	32.6	Very low	100 Å²	100	129.9 Å²	129.9	70%	0.699	78%	0.783	S	S	*	*			trans	81.5	153.1	145.5	-70.2	0	0	0	0	120.7
913	Q	27.8	Very low	32.6	Very low	190 Å²	190	125.6 Å²	125.6	89%	0.888	77%	0.774	S	S	*	*			cis	-162.6	157.9	-7.3	-123.4	-179.1	13.1	0	0	113.4
914	G	27.9	Very low	32.8	Very low	82 Å²	82	124.9 Å²	124.9	85%	0.845	77%	0.77	S	S	*	*			trans	100.7	144.2	135.4	0	0	0	0	0	121.7
915	G	26.4	Very low	33	Very low	81 Å²	81	127.1 Å²	127.1	84%	0.835	77%	0.768	S	S	*	*			trans	120.6	85.5	148.6	0	0	0	0	0	120.4
916	H	27.2	Very low	32.2	Very low	187 Å²	187	127.2 Å²	127.2	87%	0.866	76%	0.761	S	S	*	*			trans	-94.7	-166	155.5	-53.3	-93.2	0	0	0	109.8
917	P	49.5	Very low	32.5	Very low	103 Å²	103	126.6 Å²	126.6	67%	0.669	75%	0.753	S	S	*	*			cis	-139.1	-161.6	-12.2	23.8	4.1	0	0	0	114.4
918	L	28.4	Very low	32	Very low	159 Å²	159	131.6 Å²	131.6	83%	0.832	76%	0.758	S	S	*	*			trans	81	155	154.9	-53.9	-175	0	0	0	119.1
919	S	26.5	Very low	32.2	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	76%	0.762	S	S	*	*			cis	-171.6	149.5	-24.1	179.6	0	0	0	0	112.3
920	G	26.2	Very low	32.6	Very low	70 Å²	70	129.6 Å²	129.6	72%	0.722	76%	0.762	S	S	*	*			trans	72.6	-177.1	156.4	0	0	0	0	0	119
921	Q	26.7	Very low	33	Very low	180 Å²	180	126.2 Å²	126.2	84%	0.841	75%	0.753	S	S	*	*			cis	-165.9	144.7	-46.2	-144.8	-173.6	-3.9	0	0	110.6
922	H	28.5	Very low	32.3	Very low	156 Å²	156	129.9 Å²	129.9	72%	0.722	76%	0.755	S	S	*	*			trans	58.3	103.6	148.1	-110.2	-101.7	0	0	0	124.4
923	S	31	Very low	32.9	Very low	89 Å²	89	132.8 Å²	132.8	62%	0.622	76%	0.757	S	S	*	*				75.7	152.7	115.4	74.4	0	0	0	0	125.6
924	S	33.7	Very low	34.6	Very low	113 Å²	113	129.4 Å²	129.4	79%	0.79	75%	0.751	S	S	*	*			trans	89.8	147.6	144.7	77	0	0	0	0	120.7
925	Q	34.3	Very low	34.9	Very low	164 Å²	164	131.6 Å²	131.6	77%	0.766	75%	0.748	S	S	*	*			cis	-173.8	172.9	-28.6	-160.5	-171.3	25	0	0	111
926	L	37	Very low	35.3	Very low	129 Å²	129	132.3 Å²	132.3	68%	0.675	74%	0.74	S	S	*	*			trans	82.9	143.9	156.8	-54	169.1	0	0	0	116.9
927	Q	36.5	Very low	35.7	Very low	134 Å²	134	131.8 Å²	131.8	63%	0.626	74%	0.738	S	S	*	*			cis	-159.8	179	0.3	-129.8	-178.8	34.9	0	0	109.5
928	R	39.2	Very low	35	Very low	210 Å²	210	136.9 Å²	136.9	79%	0.792	74%	0.744	S	S	*	*			cis	-160.3	126.4	2.9	177.5	-173.1	-60.6	173.5	3.3	110.7
929	G	35.4	Very low	35.3	Very low	70 Å²	70	134 Å²	134	72%	0.722	74%	0.737	S	S	*	*			trans	66	-172.8	171.6	0	0	0	0	0	114.2
930	L	36.2	Very low	35.6	Very low	154 Å²	154	133.1 Å²	133.1	81%	0.806	74%	0.736	S	S	*	*			cis	-142.4	172.7	-14.7	-74	-177.7	0	0	0	106.1
931	G	35.5	Very low	35.8	Very low	60 Å²	60	135.6 Å²	135.6	62%	0.619	74%	0.743	S	S	*	*			cis	135.1	138.8	6.1	0	0	0	0	0	108.8
932	Y	36.2	Very low	36	Very low	185 Å²	185	133 Å²	133	73%	0.725	74%	0.743	S	S	*	*			cis	-121.5	-115	11.9	-73	-105.5	0	0	0	113.1
933	H	40.4	Very low	36.7	Very low	160 Å²	160	131.6 Å²	131.6	74%	0.741	75%	0.748	S	S	*	*			trans	-174.9	170.9	-161.8	25.9	-101.8	0	0	0	113
934	P	63.6	Low	36.7	Very low	120 Å²	120	133.5 Å²	133.5	78%	0.779	76%	0.756	S	S	*	*			cis	-117.3	-140.8	0.5	29.8	-5.7	0	0	0	111.4
935	V	35.3	Very low	36.9	Very low	128 Å²	128	133.9 Å²	133.9	78%	0.776	76%	0.756	S	S	*	*			cis	-166	175.5	0.2	93.9	0	0	0	0	108
936	S	34.5	Very low	36.7	Very low	96 Å²	96	132 Å²	132	67%	0.671	76%	0.761	S	S	*	*				-164.4	148.5	-64.2	-76.8	0	0	0	0	111.8
937	Q	35.7	Very low	36.3	Very low	175 Å²	175	132.3 Å²	132.3	82%	0.818	77%	0.768	S	S	*	*			trans	72.9	148	165.7	-58.3	-162.9	46.3	0	0	119.5
938	R	35.2	Very low	36	Very low	211 Å²	211	130 Å²	130	80%	0.796	77%	0.772	S	S	*	*			cis	-164.3	152.3	-15.1	-119.7	-171.2	176.4	-160.7	0.4	114.1
939	S	34.1	Very low	36.7	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	77%	0.769	S	S	*	*			trans	58.2	105.7	140.6	-58.2	0	0	0	0	126.3
940	A	32.5	Very low	37	Very low	94 Å²	94	128.2 Å²	128.2	78%	0.777	78%	0.775	S	S	*	*				55.5	146.6	111.6	0	0	0	0	0	126.9
941	S	29.6	Very low	36.6	Very low	123 Å²	123	128.5 Å²	128.5	86%	0.86	77%	0.772	S	S	*	*			trans	97.5	152.2	143.7	76.5	0	0	0	0	122.1
942	C	30.8	Very low	36.4	Very low	124 Å²	124	135.9 Å²	135.9	84%	0.838	78%	0.781	S	S	*	*			trans	-111.6	158.1	179.3	-45.1	0	0	0	0	111.3
943	P	43.3	Very low	36.1	Very low	127 Å²	127	135.8 Å²	135.8	83%	0.825	79%	0.79	S	S	*	*			trans	-148.5	173.4	133	39.6	-24.4	0	0	0	116
944	T	31.8	Very low	35.8	Very low	130 Å²	130	135.7 Å²	135.7	80%	0.798	79%	0.793	S	S	*	*			trans	-81.9	174.5	160.8	50.1	0	0	0	0	111.6
945	P	38.6	Very low	34.5	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	79%	0.794	S	S	*	*				-139.6	163.4	130	38.4	-27.8	0	0	0	115.1
946	S	28.4	Very low	34.4	Very low	124 Å²	124	134.7 Å²	134.7	87%	0.867	79%	0.792	S	S	*	*			trans	-137.9	128.7	165.3	173.8	0	0	0	0	108.1
947	T	29.8	Very low	34.9	Very low	135 Å²	135	135 Å²	135	83%	0.828	79%	0.791	S	S	*	*			trans	-153.7	143.7	179.4	-42	0	0	0	0	111.9
948	A	30.3	Very low	34.7	Very low	87 Å²	87	134.8 Å²	134.8	72%	0.719	79%	0.79	S	S	*	*			trans	-158.6	173.8	168.4	0	0	0	0	0	108.5
949	P	53.8	Low	34.6	Very low	111 Å²	111	130.6 Å²	130.6	72%	0.721	79%	0.793	S	S	*	*			cis	-118.1	-165.2	-28.3	40.5	-26.7	0	0	0	110.7
950	P	41.2	Very low	34.5	Very low	130 Å²	130	129.3 Å²	129.3	84%	0.844	80%	0.795	S	S	*	*				-131.8	-175.9	129.3	37.2	-28.2	0	0	0	113.8
951	Q	28.9	Very low	35.1	Very low	160 Å²	160	130.6 Å²	130.6	75%	0.748	80%	0.795	S	S	*	*			trans	-112.6	165.6	-158.7	-61.5	-170.2	-8.3	0	0	116.7
952	R	29.5	Very low	35.1	Very low	216 Å²	216	130.1 Å²	130.1	82%	0.815	79%	0.792	S	S	*	*			trans	64.6	114.5	148.1	-80.6	174.3	170.5	-171.1	-1.9	118.8
953	M	30.4	Very low	35.4	Very low	183 Å²	183	129.6 Å²	129.6	90%	0.901	79%	0.79	S	S	*	*				-158.2	158.1	93.4	-109.9	173.8	-81	0	0	112.2
954	I	35.5	Very low	35.4	Very low	158 Å²	158	129.5 Å²	129.5	81%	0.81	79%	0.789	S	S	*	*			trans	-120.6	129.9	173.9	-68.9	169.1	0	0	0	106.5
955	P	36.1	Very low	35.3	Very low	123 Å²	123	132.6 Å²	132.6	80%	0.799	80%	0.795	S	S	*	*				-141.9	118.6	120.8	32.4	-16.2	0	0	0	114
956	S	31.8	Very low	35	Very low	104 Å²	104	132.8 Å²	132.8	73%	0.727	79%	0.793	S	S	*	*			trans	-66.1	157.4	136.9	-60.7	0	0	0	0	108.1
957	P	46.1	Very low	35.2	Very low	101 Å²	101	135.2 Å²	135.2	66%	0.656	79%	0.791	S	S	*	*			cis	-153.2	-173.3	39.9	45.8	-25.4	0	0	0	118.2
958	H	30.8	Very low	35.9	Very low	172 Å²	172	133.5 Å²	133.5	80%	0.796	78%	0.782	S	S	*	*			trans	47.2	115.8	156.1	-50.7	-48.8	0	0	0	120.5
959	S	33.4	Very low	35.9	Very low	123 Å²	123	136.4 Å²	136.4	86%	0.86	78%	0.784	S	S	*	*				-178.9	143.7	114.5	-78.6	0	0	0	0	112.2
960	G	31.4	Very low	35.4	Very low	70 Å²	70	137 Å²	137	72%	0.722	79%	0.788	S	S	*	*			trans	-98.8	-153.7	153.6	0	0	0	0	0	109.5
961	P	45.7	Very low	34.8	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	79%	0.786	S	S	*	*			cis	-130.6	-173.8	-2.7	40.4	-23.8	0	0	0	112.9
962	S	29.8	Very low	34.6	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	79%	0.792	S	S	*	*				155.5	130.7	122.8	-68.2	0	0	0	0	113.5
963	S	37.1	Very low	34.8	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	79%	0.788	S	S	*	*			trans	-97.6	157.3	161.9	-48.5	0	0	0	0	110.2
964	P	43.5	Very low	35.3	Very low	125 Å²	125	134 Å²	134	81%	0.812	79%	0.785	S	S	*	*			trans	-88.2	144.5	156	33.6	-29.2	0	0	0	111.2
965	Q	30	Very low	34.9	Very low	196 Å²	196	133 Å²	133	92%	0.916	79%	0.787	S	S	*	*			trans	-94.8	175	175	-69.6	-176.5	-65.7	0	0	112.5
966	V	30.9	Very low	35	Very low	125 Å²	125	132.2 Å²	132.2	76%	0.758	78%	0.784	S	S	*	*			trans	-109	166.5	-179.9	-161.4	0	0	0	0	110.5
967	H	32.9	Very low	34.9	Very low	175 Å²	175	133.2 Å²	133.2	81%	0.81	79%	0.791	S	S	*	*			trans	119.4	157.7	160.9	-64.9	-68	0	0	0	115.6
968	P	44.2	Very low	34.3	Very low	99 Å²	99	133.8 Å²	133.8	64%	0.643	80%	0.798	S	S	*	*				-144.5	167.8	-56.8	41.8	-25.6	0	0	0	116.3
969	L	31.5	Very low	35	Very low	148 Å²	148	131.1 Å²	131.1	78%	0.775	80%	0.796	S	S	*	*			trans	67.3	167.3	154.4	-73.2	167.9	0	0	0	118.4
970	P	42.8	Very low	34.8	Very low	124 Å²	124	131.2 Å²	131.2	81%	0.805	79%	0.791	S	S	*	*			cis	-125.6	-173.7	8.5	43.4	-28.3	0	0	0	117.5
971	Y	27.5	Very low	35.2	Very low	204 Å²	204	133.6 Å²	133.6	80%	0.8	80%	0.797	S	S	*	*			trans	-67	154.2	-178.7	-95.8	-112.2	0	0	0	116.3
972	Q	26.5	Very low	34.4	Very low	186 Å²	186	133.1 Å²	133.1	87%	0.869	80%	0.803	S	S	*	*				-177.8	156.4	105.9	-98.3	-174.8	35.3	0	0	114
973	S	33.7	Very low	34.4	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	80%	0.8	S	S	*	*			trans	-108.2	158.9	170	-47.4	0	0	0	0	110.5
974	P	39.5	Very low	34.2	Very low	130 Å²	130	131.5 Å²	131.5	84%	0.844	80%	0.803	S	S	*	*			trans	-141	178.9	138.7	38.1	-24.5	0	0	0	114.8
975	T	28.6	Very low	34.8	Very low	137 Å²	137	130.6 Å²	130.6	84%	0.84	80%	0.797	S	S	*	*			trans	-108.8	174.6	-169.7	46.2	0	0	0	0	114.4
976	S	37.5	Very low	34.8	Very low	107 Å²	107	129.7 Å²	129.7	75%	0.748	80%	0.798	S	S	*	*			trans	-40	147.7	175.6	54.8	0	0	0	0	119.5
977	S	28.7	Very low	34.6	Very low	125 Å²	125	127.1 Å²	127.1	87%	0.874	80%	0.796	S	S	*	*			trans	-172.8	163.1	130.1	34.7	0	0	0	0	113.4
978	S	34.4	Very low	35.6	Very low	114 Å²	114	124.3 Å²	124.3	80%	0.797	79%	0.794	S	S	*	*			trans	-92.7	174.9	-175.5	-41.7	0	0	0	0	113.7
979	P	44.4	Very low	35	Very low	116 Å²	116	126.7 Å²	126.7	75%	0.753	80%	0.8	S	S	*	*				-150.2	139	121.7	35.9	-18.2	0	0	0	119.1
980	T	30.4	Very low	35.2	Very low	124 Å²	124	126.8 Å²	126.8	76%	0.761	80%	0.797	S	S	*	*			trans	34.3	112	141	59.9	0	0	0	0	125.7
981	S	39.1	Very low	34.7	Very low	121 Å²	121	127.6 Å²	127.6	85%	0.846	79%	0.79	S	S	*	*				69.2	117.7	103.4	-50.7	0	0	0	0	125.7
982	A	29.9	Very low	34.9	Very low	109 Å²	109	126.1 Å²	126.1	90%	0.901	79%	0.79	S	S	*	*			trans	-148.7	169.9	142.7	0	0	0	0	0	107.9
983	G	28.7	Very low	35.1	Very low	72 Å²	72	123.1 Å²	123.1	74%	0.742	79%	0.789	S	S	*	*			cis	-174.3	-176.9	0.7	0	0	0	0	0	111
984	S	34	Very low	34.9	Very low	121 Å²	121	121.9 Å²	121.9	85%	0.846	79%	0.793	S	S	*	*			trans	-163.7	175.1	179.7	-128.2	0	0	0	0	111.1
985	P	55.6	Low	34.4	Very low	106 Å²	106	123.7 Å²	123.7	69%	0.688	79%	0.79	S	S	*	*			cis	-158.1	-174.6	47.6	41.9	-17.5	0	0	0	120.8
986	L	30.6	Very low	34.9	Very low	177 Å²	177	123 Å²	123	93%	0.927	79%	0.788	S	S	*	*			trans	92.6	146.7	155.4	-59.4	177.9	0	0	0	123.2
987	G	25.8	Very low	34.4	Very low	70 Å²	70	122.3 Å²	122.3	72%	0.722	78%	0.783	S	S	*	*			trans	-128.4	-137.2	178.6	0	0	0	0	0	112.3
988	P	53.4	Low	35.5	Very low	117 Å²	117	120.9 Å²	120.9	76%	0.76	77%	0.771	S	S	*	*			cis	-149	-164.1	2.5	46	-25.4	0	0	0	117.7
989	L	32.3	Very low	35.1	Very low	149 Å²	149	124.1 Å²	124.1	78%	0.78	77%	0.774	S	S	*	*			trans	71.5	155.4	161.1	-96.1	79.4	0	0	0	120.2
990	Q	34.8	Very low	34.4	Very low	149 Å²	149	122.4 Å²	122.4	70%	0.696	77%	0.769	S	S	*	*			cis	-168.8	165.5	-21.8	-142.5	-169.8	3.4	0	0	114.2
991	Q	33.9	Very low	34.3	Very low	142 Å²	142	125.2 Å²	125.2	66%	0.664	78%	0.776	S	S	*	*			trans	91	120.7	148.2	-70.8	-174.1	22.3	0	0	126.5
992	H	32	Very low	33.8	Very low	173 Å²	173	124 Å²	124	80%	0.801	77%	0.767	S	S	*	*				73.9	117.9	129.5	-63.6	-41.5	0	0	0	128.2
993	S	30.7	Very low	34.9	Very low	122 Å²	122	125 Å²	125	85%	0.853	76%	0.764	S	S	*	*				77.6	153.5	124.5	79.9	0	0	0	0	123.8
994	G	28.6	Very low	35	Very low	79 Å²	79	127.1 Å²	127.1	81%	0.814	76%	0.763	S	S	*	*			trans	144.1	101.9	162.3	0	0	0	0	0	118.3
995	Q	28.3	Very low	34.9	Very low	168 Å²	168	129.4 Å²	129.4	79%	0.785	76%	0.762	S	S	*	*			trans	-113.4	155.6	162.2	-111.3	-94.4	-33.3	0	0	107.5
996	P	39.2	Very low	33.7	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	77%	0.766	S	S	*	*				-151.6	175.4	80	39.6	-19.1	0	0	0	118.2
997	S	27.6	Very low	33.6	Very low	93 Å²	93	125.8 Å²	125.8	65%	0.65	75%	0.75	S	S	*	*			trans	-87.1	-158.4	170.3	-153.7	0	0	0	0	110
998	P	51.2	Low	33.7	Very low	94 Å²	94	130.3 Å²	130.3	61%	0.61	76%	0.756	S	S	*	*			cis	-148.8	-166	1.5	46.4	-25.4	0	0	0	118.2
999	Q	27.3	Very low	32.5	Very low	183 Å²	183	129.6 Å²	129.6	86%	0.855	75%	0.754	S	S	*	*			trans	75.3	153.4	152.4	-72.3	176.4	0.7	0	0	120.1
1000	A	28.5	Very low	33.3	Very low	80 Å²	80	128.1 Å²	128.1	66%	0.661	75%	0.753	S	S	*	*			cis	-173	179.1	-24	0	0	0	0	0	112.7
1001	M	28.5	Very low	33	Very low	182 Å²	182	125.3 Å²	125.3	90%	0.897	76%	0.755	S	S	*	*			trans	95.7	121.7	151.2	-52.6	-161.1	72.8	0	0	120.7
1002	S	29.9	Very low	32.8	Very low	96 Å²	96	122.9 Å²	122.9	67%	0.671	76%	0.76	S	S	*	*			trans	-83.5	167.8	154.7	-43.2	0	0	0	0	110.7
1003	P	52	Low	32.6	Very low	129 Å²	129	121.8 Å²	121.8	84%	0.838	77%	0.765	S	S	*	*				-140.9	-174.5	94.6	20.7	1.4	0	0	0	113.5
1004	V	31	Very low	32.4	Very low	118 Å²	118	119.4 Å²	119.4	72%	0.715	76%	0.759	S	S	*	*			cis	166.3	125.2	-47.3	145.7	0	0	0	0	109.4
1005	M	31.9	Very low	33.9	Very low	168 Å²	168	121.4 Å²	121.4	83%	0.828	76%	0.758	S	S	*	*			trans	59.7	172.9	163.6	-58.8	-80.4	-93.5	0	0	115.6
1006	T	30.8	Very low	33.9	Very low	125 Å²	125	121.3 Å²	121.3	77%	0.767	76%	0.762	S	S	*	*			cis	-158.4	170.2	26.5	33	0	0	0	0	109.3
1007	S	28.3	Very low	33.4	Very low	83 Å²	83	121.7 Å²	121.7	58%	0.58	76%	0.762	S	S	*	*			cis	-179.8	154.7	-23.4	60.2	0	0	0	0	111.3
1008	L	28.5	Very low	33.8	Very low	164 Å²	164	125.7 Å²	125.7	86%	0.859	77%	0.77	S	S	*	*			trans	70.5	135.6	143.6	-70.8	161.9	0	0	0	123.7
1009	S	27.9	Very low	33.8	Very low	103 Å²	103	126.4 Å²	126.4	72%	0.72	78%	0.775	S	S	*	*			trans	-55.2	-169	153.3	-27.5	0	0	0	0	113.6
1010	P	48.4	Very low	33.9	Very low	118 Å²	118	125.7 Å²	125.7	77%	0.766	78%	0.776	S	S	*	*			cis	-150.3	177.8	21.5	45.7	-24.2	0	0	0	120.4
1011	A	28.8	Very low	34.1	Very low	89 Å²	89	127.1 Å²	127.1	74%	0.736	78%	0.781	S	S	*	*			trans	51.6	105.6	136	0	0	0	0	0	124.6
1012	A	29.6	Very low	35	Very low	91 Å²	91	124 Å²	124	75%	0.752	77%	0.774	S	S	*	*				74.7	163	102.4	0	0	0	0	0	124.6
1013	V	27.3	Very low	34.8	Very low	151 Å²	151	128.7 Å²	128.7	92%	0.915	79%	0.785	S	S	*	*			trans	82.9	127	161.3	-165.1	0	0	0	0	119.6
1014	G	27.2	Very low	33.7	Very low	71 Å²	71	125.9 Å²	125.9	73%	0.732	78%	0.78	S	S	*	*			trans	134.1	113.8	147.7	0	0	0	0	0	117.9
1015	P	60	Low	34.3	Very low	122 Å²	122	126.4 Å²	126.4	79%	0.792	79%	0.786	S	S	*	*			trans	-122.1	155.5	177	39.7	-28.9	0	0	0	115.1
1016	L	27.9	Very low	34.2	Very low	165 Å²	165	127.8 Å²	127.8	86%	0.864	79%	0.787	S	S	*	*			trans	-164.8	121.8	152.9	-134.6	60.4	0	0	0	115.5
1017	V	28.8	Very low	35	Very low	130 Å²	130	127.7 Å²	127.7	79%	0.788	79%	0.789	S	S	*	*			trans	57.5	124.2	130.6	175	0	0	0	0	122.6
1018	H	36	Very low	35.2	Very low	178 Å²	178	128.6 Å²	128.6	82%	0.824	80%	0.795	S	S	*	*			trans	-64.8	157.4	158.4	-92.3	-56.8	0	0	0	112.8
1019	P	51	Low	35.3	Very low	109 Å²	109	129.9 Å²	129.9	71%	0.708	80%	0.797	S	S	*	*				-163.7	-174.9	73.4	43.8	-21	0	0	0	119.9
1020	L	28.8	Very low	35.3	Very low	168 Å²	168	128.4 Å²	128.4	88%	0.88	80%	0.798	S	S	*	*			trans	82.5	127.6	158.7	-60.5	178.3	0	0	0	120.9
1021	S	34	Very low	34.7	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	80%	0.801	S	S	*	*			trans	-93.3	179.5	163.7	-40.6	0	0	0	0	110.3
1022	P	46.8	Very low	34.8	Very low	115 Å²	115	137.1 Å²	137.1	75%	0.747	80%	0.804	S	S	*	*				-158.1	168.4	87.9	43	-24.1	0	0	0	118.9
1023	Q	26.6	Very low	34.9	Very low	195 Å²	195	140 Å²	140	91%	0.911	81%	0.806	S	S	*	*			trans	73.4	151.6	158.4	-53.9	-137.4	-19	0	0	121
1024	G	27.3	Very low	35	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	80%	0.799	S	S	*	*			trans	-109.8	-149.3	-179.1	0	0	0	0	0	113.3
1025	P	45.3	Very low	35.2	Very low	129 Å²	129	143 Å²	143	84%	0.838	80%	0.799	S	S	*	*				-141.4	-178	51.6	41	-23.2	0	0	0	116.9
1026	F	29.5	Very low	33.7	Very low	197 Å²	197	145.1 Å²	145.1	86%	0.864	80%	0.796	S	S	*	*			trans	-89.3	169.9	167.2	-78.1	-88.9	0	0	0	111.8
1027	P	47.9	Very low	33.8	Very low	124 Å²	124	146 Å²	146	81%	0.805	80%	0.796	S	S	*	*				-128.5	173.1	89.4	4.6	18.2	0	0	0	116.6
1028	S	31.2	Very low	33.8	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	79%	0.792	S	S	*	*			trans	-70.7	-174.6	168.7	49.4	0	0	0	0	112.6
1029	E	30.1	Very low	34	Very low	190 Å²	190	144.2 Å²	144.2	89%	0.888	79%	0.789	S	S	*	*			cis	-166.7	166.6	25.9	-161.7	168.2	-157	0	0	112.1
1030	G	28.5	Very low	33.2	Very low	73 Å²	73	148.2 Å²	148.2	75%	0.753	80%	0.798	S	S	*	*			trans	131	110.8	155.4	0	0	0	0	0	117.8
1031	E	35.3	Very low	33.3	Very low	175 Å²	175	149.4 Å²	149.4	82%	0.818	80%	0.799	S	S	*	*			trans	-86.3	142.4	165.4	-62.1	178.1	84	0	0	112.2
1032	R	31.6	Very low	33.2	Very low	215 Å²	215	155.3 Å²	155.3	81%	0.811	81%	0.805	S	S	*	*				164	139.7	113.1	-91.2	177.7	-177	-159.8	-0.9	115.8
1033	L	31.4	Very low	32.7	Very low	151 Å²	151	157.9 Å²	157.9	79%	0.791	81%	0.807	S	S	*	*			trans	69.7	95.3	146.3	-63.5	167.8	0	0	0	122.3
1034	N	30.8	Very low	33.2	Very low	144 Å²	144	154.1 Å²	154.1	77%	0.77	80%	0.799	S	S	*	*				85.7	152.9	117	-150.2	14.1	0	0	0	122.4
1035	I	29.6	Very low	33.3	Very low	142 Å²	142	157.1 Å²	157.1	73%	0.728	80%	0.804	S	S	*	*			trans	82	100.3	165.1	-64.4	155.7	0	0	0	119.6
1036	K	29.3	Very low	32.6	Very low	165 Å²	165	160.9 Å²	160.9	72%	0.717	81%	0.807	S	S	*	*			trans	47.9	112.3	138.7	-158.9	-176.4	-180	-150.6	0	120.8	E1038	K1036-E1038 IonicContact NZ-OE2 2.73Å; K1036-E1038 PolarHBondContact NZ-OE2 3.41Å
1037	Q	29.8	Very low	32.8	Very low	185 Å²	185	162.7 Å²	162.7	86%	0.864	81%	0.808	S	S	*	*			trans	-86	156.8	151.8	-73.7	-179.2	-19.5	0	0	111.8
1038	E	28.1	Very low	32.5	Very low	152 Å²	152	163 Å²	163	71%	0.71	81%	0.813	S	S	*	*			trans	-148.6	125.7	154.4	-166.5	160.9	176.3	0	0	108.1	K1036	K1036-E1038 IonicContact NZ-OE2 2.73Å; K1036-E1038 PolarHBondContact NZ-OE2 3.41Å
1039	P	40.6	Very low	33	Very low	117 Å²	117	166 Å²	166	76%	0.76	82%	0.82	S	S	*	*			trans	-99.3	165.6	-171.9	37.8	-35.3	0	0	0	114.5
1040	E	34.3	Very low	33.2	Very low	193 Å²	193	159.3 Å²	159.3	90%	0.902	80%	0.802	S	S	*	*			trans	-98.7	119.8	-177.8	-179.9	-173.2	158.6	0	0	111.3
1041	E	31.2	Very low	34.2	Very low	194 Å²	194	161.4 Å²	161.4	91%	0.907	80%	0.795	S	S	*	*			trans	-109.2	88.3	177.8	-76	-149.4	131.6	0	0	114.6
1042	R	32.9	Very low	34.7	Very low	233 Å²	233	160.3 Å²	160.3	88%	0.879	79%	0.79	S	S	*	*			trans	12.7	131.9	133.8	-159.2	175.4	-164.2	144.4	5.2	120.6
1043	E	36.6	Very low	35.5	Very low	170 Å²	170	157.5 Å²	157.5	79%	0.794	79%	0.791	S	S	*	*			trans	-45.7	133.4	164.7	178.6	-176.5	-144.5	0	0	116.2
1044	P	36.2	Very low	37.1	Very low	116 Å²	116	156.4 Å²	156.4	75%	0.753	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-94	128.3	174.8	34.3	-32.2	0	0	0	113.9
1045	T	30.1	Very low	39.2	Very low	133 Å²	133	152.8 Å²	152.8	82%	0.816	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-84.7	132.3	176.9	-40.2	0	0	0	0	112.5
1046	F	29.8	Very low	40.7	Very low	207 Å²	207	152.9 Å²	152.9	91%	0.908	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-64.5	132.7	175	-76.5	-92.4	0	0	0	112.9
1047	R	32.8	Very low	42.4	Very low	235 Å²	235	150.8 Å²	150.8	89%	0.887	77%	0.766	S	S	*	*			trans	-121.9	133.4	163.2	-80.7	-169.1	173.4	-128.1	1.1	110.8
1048	S	42	Very low	44.6	Very low	130 Å²	130	145 Å²	145	91%	0.909	74%	0.741	S	S	*	*			trans	-73.9	129.4	178.4	-47	0	0	0	0	111.9
1049	I	42.1	Very low	46.8	Very low	165 Å²	165	141 Å²	141	85%	0.846	73%	0.726	S	S	*	*			trans	-114.5	137.2	169.5	-66.5	176.7	0	0	0	108.4
1050	G	34.8	Very low	48.1	Very low	50 Å²	50	140.6 Å²	140.6	52%	0.515	72%	0.718	S	S	.	*			trans	-83.1	132.1	-175.1	0	0	0	0	0	112.4	Q1052	G1050-Q1052 PolarHBondContact O-N 3.27Å
1051	L	49.9	Very low	49.9	Very low	117 Å²	117	136.3 Å²	136.3	61%	0.613	70%	0.698	S	S	*	*			trans	-53.7	133.8	-175.7	-36.3	91.9	0	0	0	113.4	M1	M1-L1051 WeakPolarHBondContact CA-O 3.44Å; M1-L1051 WeakPolarHBondContact CB-O 3.37Å; M1-L1051 PolarHBondContact N-O 3.25Å
1052	Q	45.8	Very low	52	Low	152 Å²	152	131.5 Å²	131.5	71%	0.71	68%	0.678	S	S	*	*			trans	-124.2	170.9	146.9	-73.7	178.8	-13	0	0	106.5	G1050 I1054	G1050-Q1052 PolarHBondContact O-N 3.27Å; Q1052-I1054 PolarHBondContact O-N 3.37Å
1053	D	48	Very low	53.9	Low	157 Å²	157	124.6 Å²	124.6	84%	0.84	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-62.9	130.1	-158.5	-58.2	-80.3	0	0	0	114.2
1054	I	64.8	Low	55.5	Low	128 Å²	128	118.3 Å²	118.3	66%	0.656	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-86.1	120.3	176.9	-33.3	173	0	0	0	108	Q1052 D1058 V1059	Q1052-I1054 PolarHBondContact O-N 3.37Å; I1054-D1058 HydrophobicContact CG2-CB 3.92Å; I1054-V1059 HydrophobicContact CG2-CG2 4.39Å
1055	T	74.7	Confident	57	Low	68 Å²	68	118.7 Å²	118.7	42%	0.417	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-88.2	167.8	179.1	72.5	0	0	0	0	112.1	D1057 D1058 V1059	T1055-D1057 PolarHBondContact O-N 3.37Å; T1055-D1057 PolarHBondContact OG1-N 3.09Å; T1055-D1058 WeakPolarHBondContact CA-OD2 3.29Å; T1055-D1058 VanDerWaalsContact CB-OD2 3.29Å; T1055-D1058 WeakPolarHBondContact CB-OD2 3.42Å; T1055-D1058 PolarHBondContact N-OD2 3.48Å; T1055-D1058 PolarHBondContact O-N 3.43Å; T1055-D1058 PolarHBondContact OG1-N 2.6Å; T1055-D1058 VanDerWaalsContact OG1-N 3.14Å; T1055-D1058 PolarHBondContact OG1-OD2 3.14Å; T1055-V1059 PolarHBondContact O-N 2.89Å
1056	L	61.4	Low	58.4	Low	144 Å²	144	118.3 Å²	118.3	75%	0.754	62%	0.618	S	S	*	*	H	α-helix	trans	-65.7	-27.9	171.6	-82.7	166.3	0	0	0	112.3	V1059 N1060	L1056-V1059 PolarHBondContact O-N 3.04Å; L1056-N1060 PolarHBondContact O-N 3.37Å; L1056-N1060 VanDerWaalsContact O-N 3.09Å
1057	D	64.8	Low	59.8	Low	121 Å²	121	115.7 Å²	115.7	65%	0.647	61%	0.61	S	S	*	*	H	α-helix	trans	-71	-40.3	175.5	-62.5	-69.8	0	0	0	111.1	T1055 V1059 N1060 E1061	T1055-D1057 PolarHBondContact O-N 3.37Å; T1055-D1057 PolarHBondContact OG1-N 3.09Å; D1057-V1059 VanDerWaalsContact C-N 3.3Å; D1057-V1059 PolarHBondContact O-N 3.26Å; D1057-N1060 CarbonylContact O-C 3.59Å; D1057-N1060 PolarHBondContact O-N 2.83Å; D1057-E1061 WeakPolarHBondContact O-CB 3.49Å; D1057-E1061 PolarHBondContact O-N 2.95Å
1058	D	76.1	Confident	60.5	Low	63 Å²	63	108.5 Å²	108.5	34%	0.337	60%	0.596	S	S	.	*	H	α-helix	trans	-59.3	-40.5	172.4	-61.9	-67.9	0	0	0	111.9	I1054 T1055 E1061 I1062	I1054-D1058 HydrophobicContact CG2-CB 3.92Å; T1055-D1058 WeakPolarHBondContact CA-OD2 3.29Å; T1055-D1058 VanDerWaalsContact CB-OD2 3.29Å; T1055-D1058 WeakPolarHBondContact CB-OD2 3.42Å; T1055-D1058 PolarHBondContact N-OD2 3.48Å; T1055-D1058 PolarHBondContact O-N 3.43Å; T1055-D1058 PolarHBondContact OG1-N 2.6Å; T1055-D1058 VanDerWaalsContact OG1-N 3.14Å; T1055-D1058 PolarHBondContact OG1-OD2 3.14Å; D1058-E1061 PolarHBondContact O-N 3.49Å; D1058-I1062 WeakPolarHBondContact O-CD1 3.42Å; D1058-I1062 VanDerWaalsContact O-CG1 3.25Å; D1058-I1062 WeakPolarHBondContact O-CG1 3.35Å; D1058-I1062 PolarHBondContact O-N 2.91Å
1059	V	73.7	Confident	60.7	Low	67 Å²	67	109.3 Å²	109.3	41%	0.406	59%	0.585	S	S	.	*	H	α-helix	trans	-65.3	-41.4	177	175	0	0	0	0	111.2	I1054 T1055 L1056 D1057 I1062 I1063	I1054-V1059 HydrophobicContact CG2-CG2 4.39Å; T1055-V1059 PolarHBondContact O-N 2.89Å; L1056-V1059 PolarHBondContact O-N 3.04Å; D1057-V1059 VanDerWaalsContact C-N 3.3Å; D1057-V1059 PolarHBondContact O-N 3.26Å; V1059-I1062 PolarHBondContact O-N 3.37Å; V1059-I1063 HydrophobicContact CG1-CD1 3.98Å; V1059-I1063 VanDerWaalsContact O-CG1 3.29Å; V1059-I1063 WeakPolarHBondContact O-CG1 3.31Å; V1059-I1063 PolarHBondContact O-N 2.8Å
1060	N	67.5	Low	60.5	Low	109 Å²	109	105.7 Å²	105.7	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-66.1	-36.5	172.6	-82.5	-23.9	0	0	0	112.3	L1056 D1057 I1063 G1064	L1056-N1060 PolarHBondContact O-N 3.37Å; L1056-N1060 VanDerWaalsContact O-N 3.09Å; D1057-N1060 CarbonylContact O-C 3.59Å; D1057-N1060 PolarHBondContact O-N 2.83Å; N1060-I1063 PolarHBondContact O-N 3.47Å; N1060-G1064 PolarHBondContact O-N 3.19Å
1061	E	71.8	Confident	60.8	Low	104 Å²	104	109.5 Å²	109.5	49%	0.486	59%	0.59	S	S	.	*	H	α-helix	trans	-70	-34.6	178.5	-157.8	-178.3	114.1	0	0	111.7	D1057 D1058 R1065	D1057-E1061 WeakPolarHBondContact O-CB 3.49Å; D1057-E1061 PolarHBondContact O-N 2.95Å; D1058-E1061 PolarHBondContact O-N 3.49Å; E1061-R1065 WeakPolarHBondContact O-CB 3.5Å; E1061-R1065 WeakPolarHBondContact O-CG 3.46Å; E1061-R1065 PolarHBondContact O-N 3.01Å; E1061-R1065 IonicContact OE1-CZ 3.35Å; E1061-R1065 IonicContact OE1-NH1 3.97Å; E1061-R1065 PolarHBondContact OE1-NH1 3.49Å; E1061-R1065 IonicContact OE1-NH2 2.69Å; E1061-R1065 PolarHBondContact OE1-NH2 3.16Å
1062	I	75.6	Confident	60	Low	92 Å²	92	108.9 Å²	108.9	47%	0.472	60%	0.596	S	S	.	*	H	α-helix	trans	-66.9	-49.2	171.7	-69.6	162.3	0	0	0	110.7	D1058 V1059 G1064 R1065 D1066	D1058-I1062 WeakPolarHBondContact O-CD1 3.42Å; D1058-I1062 VanDerWaalsContact O-CG1 3.25Å; D1058-I1062 WeakPolarHBondContact O-CG1 3.35Å; D1058-I1062 PolarHBondContact O-N 2.91Å; V1059-I1062 PolarHBondContact O-N 3.37Å; I1062-G1064 VanDerWaalsContact C-N 3.27Å; I1062-G1064 PolarHBondContact O-N 3.4Å; I1062-R1065 PolarHBondContact O-N 3.41Å; I1062-R1065 VanDerWaalsContact O-N 3.16Å; I1062-D1066 PolarHBondContact O-N 3.22Å
1063	I	73.7	Confident	59.4	Low	88 Å²	88	106.6 Å²	106.6	45%	0.451	60%	0.603	S	S	.	*	H	α-helix	trans	-61.2	-38.7	177	-67.7	165.8	0	0	0	110.9	V1059 N1060 M1067	V1059-I1063 HydrophobicContact CG1-CD1 3.98Å; V1059-I1063 VanDerWaalsContact O-CG1 3.29Å; V1059-I1063 WeakPolarHBondContact O-CG1 3.31Å; V1059-I1063 PolarHBondContact O-N 2.8Å; N1060-I1063 PolarHBondContact O-N 3.47Å; I1063-M1067 HydrophobicContact CG2-CE 4.49Å; I1063-M1067 WeakPolarHBondContact O-CG 3.41Å; I1063-M1067 PolarHBondContact O-N 3.13Å; I1063-M1067 VanDerWaalsContact O-N 3.13Å
1064	G	69.9	Low	58.7	Low	39 Å²	39	108 Å²	108	40%	0.402	60%	0.604	S	S	.	*	H	α-helix	trans	-63.5	-43.3	173.7	0	0	0	0	0	112.9	N1060 I1062 S1068	N1060-G1064 PolarHBondContact O-N 3.19Å; I1062-G1064 VanDerWaalsContact C-N 3.27Å; I1062-G1064 PolarHBondContact O-N 3.4Å; G1064-S1068 VanDerWaalsContact O-CB 3.31Å; G1064-S1068 WeakPolarHBondContact O-CB 3.47Å; G1064-S1068 PolarHBondContact O-N 2.68Å; G1064-S1068 VanDerWaalsContact O-N 3.13Å; G1064-S1068 PolarHBondContact O-OG 3.13Å
1065	R	67.6	Low	57.4	Low	124 Å²	124	104.9 Å²	104.9	47%	0.468	60%	0.604	S	S	.	*	H	α-helix	trans	-62.8	-51	175.5	-81.9	-167.3	-176.5	89.3	9.1	112.1	E1061 I1062 M1067 S1068 Q1069	E1061-R1065 WeakPolarHBondContact O-CB 3.5Å; E1061-R1065 WeakPolarHBondContact O-CG 3.46Å; E1061-R1065 PolarHBondContact O-N 3.01Å; E1061-R1065 IonicContact OE1-CZ 3.35Å; E1061-R1065 IonicContact OE1-NH1 3.97Å; E1061-R1065 PolarHBondContact OE1-NH1 3.49Å; E1061-R1065 IonicContact OE1-NH2 2.69Å; E1061-R1065 PolarHBondContact OE1-NH2 3.16Å; I1062-R1065 PolarHBondContact O-N 3.41Å; I1062-R1065 VanDerWaalsContact O-N 3.16Å; R1065-M1067 VanDerWaalsContact C-N 3.35Å; R1065-M1067 PolarHBondContact O-N 3.41Å; R1065-S1068 WeakPolarHBondContact CA-OG 3.45Å; R1065-S1068 PolarHBondContact O-N 2.69Å; R1065-S1068 PolarHBondContact O-OG 2.75Å; R1065-Q1069 PolarHBondContact O-N 3.14Å
1066	D	59.3	Low	55.4	Low	125 Å²	125	108 Å²	108	67%	0.668	63%	0.625	S	S	*	*	H	α-helix	trans	-62.2	-40.3	-177.3	-85.6	6.8	0	0	0	112	I1062 S1068 Q1069	I1062-D1066 PolarHBondContact O-N 3.22Å; D1066-S1068 VanDerWaalsContact C-N 3.27Å; D1066-S1068 PolarHBondContact O-N 3.17Å; D1066-Q1069 PolarHBondContact O-N 2.64Å
1067	M	58.9	Low	53.9	Low	152 Å²	152	110.5 Å²	110.5	75%	0.749	63%	0.633	S	S	*	*	H	α-helix	trans	-72.6	-17.3	174.6	-67.3	-152.4	-56.7	0	0	114	I1063 R1065	I1063-M1067 HydrophobicContact CG2-CE 4.49Å; I1063-M1067 WeakPolarHBondContact O-CG 3.41Å; I1063-M1067 PolarHBondContact O-N 3.13Å; I1063-M1067 VanDerWaalsContact O-N 3.13Å; R1065-M1067 VanDerWaalsContact C-N 3.35Å; R1065-M1067 PolarHBondContact O-N 3.41Å
1068	S	48.6	Very low	52.3	Low	84 Å²	84	110.3 Å²	110.3	59%	0.587	64%	0.641	S	S	*	*	H	α-helix	trans	-90.1	-12.1	177.2	72.3	0	0	0	0	114.5	G1064 R1065 D1066	G1064-S1068 VanDerWaalsContact O-CB 3.31Å; G1064-S1068 WeakPolarHBondContact O-CB 3.47Å; G1064-S1068 PolarHBondContact O-N 2.68Å; G1064-S1068 VanDerWaalsContact O-N 3.13Å; G1064-S1068 PolarHBondContact O-OG 3.13Å; R1065-S1068 WeakPolarHBondContact CA-OG 3.45Å; R1065-S1068 PolarHBondContact O-N 2.69Å; R1065-S1068 PolarHBondContact O-OG 2.75Å; D1066-S1068 VanDerWaalsContact C-N 3.27Å; D1066-S1068 PolarHBondContact O-N 3.17Å
1069	Q	46.4	Very low	50.2	Low	147 Å²	147	112 Å²	112	69%	0.687	66%	0.664	S	S	*	*			trans	-106	38.1	-179	-71.1	-170.4	77.3	0	0	113.6	R1065 D1066	R1065-Q1069 PolarHBondContact O-N 3.14Å; D1066-Q1069 PolarHBondContact O-N 2.64Å
1070	S	37.8	Very low	48.5	Very low	88 Å²	88	117.6 Å²	117.6	62%	0.615	69%	0.685	S	S	*	*			trans	-78	127.3	160.8	59.5	0	0	0	0	110.1	S1072	S1070-S1072 PolarHBondContact O-N 3.19Å; S1070-S1072 VanDerWaalsContact O-N 3.14Å
1071	P	40.3	Very low	46.9	Very low	130 Å²	130	119.3 Å²	119.3	84%	0.844	70%	0.695	S	S	*	*			trans	-71.8	110.3	-174.6	27.1	-34	0	0	0	112.2	A1073	P1071-A1073 PolarHBondContact O-N 3.06Å
1072	S	33.1	Very low	45.1	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	71%	0.71	S	S	*	*			trans	-58.7	113.9	169.5	-61.4	0	0	0	0	110.7	S1070 H1074	S1070-S1072 PolarHBondContact O-N 3.19Å; S1070-S1072 VanDerWaalsContact O-N 3.14Å; S1072-H1074 PolarHBondContact O-N 3.22Å
1073	A	33.5	Very low	43	Very low	104 Å²	104	127.2 Å²	127.2	86%	0.86	75%	0.749	S	S	*	*			trans	-67	107.1	177.9	0	0	0	0	0	110.9	P1071 G1075	P1071-A1073 PolarHBondContact O-N 3.06Å; A1073-G1075 PolarHBondContact O-N 3.46Å
1074	H	34.1	Very low	41.5	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.866	76%	0.764	S	S	*	*			trans	-65.5	115.3	172.8	-82.5	-86.6	0	0	0	110.5	S1072	S1072-H1074 PolarHBondContact O-N 3.22Å
1075	G	37	Very low	40	Very low	63 Å²	63	133.9 Å²	133.9	65%	0.649	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-71.4	145.5	174.3	0	0	0	0	0	112.3	A1073	A1073-G1075 PolarHBondContact O-N 3.46Å
1076	P	32.7	Very low	38.5	Very low	134 Å²	134	134.4 Å²	134.4	87%	0.87	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.7	145.5	175.7	29.8	-34.6	0	0	0	111.5
1077	Q	29.8	Very low	37.2	Very low	195 Å²	195	135 Å²	135	91%	0.911	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-74.1	143.4	179.6	-67.5	176.1	-23.7	0	0	112.1	A1079	Q1077-A1079 PolarHBondContact O-N 2.73Å
1078	S	30.6	Very low	35.9	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	81%	0.812	S	S	*	*			trans	-76	115.9	168	54.4	0	0	0	0	110.9
1079	A	33.3	Very low	35	Very low	100 Å²	100	137.3 Å²	137.3	83%	0.826	83%	0.827	S	S	*	*			trans	-82.4	125.7	163.7	0	0	0	0	0	109.6	Q1077	Q1077-A1079 PolarHBondContact O-N 2.73Å
1080	H	36.6	Very low	34.2	Very low	184 Å²	184	136.6 Å²	136.6	85%	0.852	84%	0.837	S	S	*	*			trans	-64.4	140.2	167.8	-92.7	-77	0	0	0	110.4
1081	N	35.3	Very low	34	Very low	145 Å²	145	140.3 Å²	140.3	78%	0.775	85%	0.854	S	S	*	*			trans	-155.7	161.2	137.3	-117	-31.8	0	0	0	112.9
1082	H	33.3	Very low	33.4	Very low	177 Å²	177	141.2 Å²	141.2	82%	0.819	86%	0.855	S	S	*	*			trans	-60.5	159.6	171.8	-51.2	-91.2	0	0	0	111
1083	S	31.9	Very low	33.5	Very low	184 Å²	184	144.5 Å²	144.5	100%	1.287	87%	0.867	S	S	*	*			cis	-147.4	0	18	-173	0	0	0	0	112.9

Retrieved 1,083 of 1,083 residues in 927.5 ms (Link to these results)

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