A0A3Q0KDV5_SCHMA Loading...

Putative f-box protein FBW7

AlphaFold DB , UniProt , Accession A0A3Q0KDV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 812 aa.

						>A0A3Q0KDV5_SCHMA|A0A3Q0KDV5
MSYLESFSTCTKVKRCSQSVCSETFEKDLKYPRLLDNSRNNIIHTLSLYDVDYSSTNRLNEFENINNSLCSHDRLAQLSALIDQCSHGELLHIKKTIKPLLKRDFIAYLPVEISLHILQYLSPRDIFHCAQVSKTWQLVCDDNLLWHRLCVGAGLFNTLFNKSTINFYSGTQLNCLLCVNKPTNSLCNETKSLIENFIINNSINTNDGDNFKVHECDVTMKNDHIQSLDTDGESTCALSYTGDSSNRSRLNEVNWKSLYRQDLHTQCNWRNGGPWHPIIVPAHHNHVITCLEVYEEWAITGSDDSSICIWDINTGQCLINLFGHLGGVWSMTVIPRQLIFLSEQKQLSQHPLLISGSCDRTARVWQLDGQRWPCIATLFGHQSTVRCLASQKLHSSPKFVVTNSNCYKRSTDVYSNDNNDSIDDNTANHTINNDNDEDGVGDDDSDKELTHNMFNNQQTLHSHDSTPKTTSNIHQTNSSSSDGSSKLFGPILSSSEPNSTIKMEKQQQTFQNGHLVVTGSRDTTLRLWNVVTGECIQEFRGNLFDFFSLKNYLFIDFNVSHRGAIRCVQFTGNQIVSGSYDCTIRLWCALQGHCLRVFSAHTNRVYTLLFDGYHIISGSLDTTIRIWNAHTGALKQTFYGHRSLTSELAFGSEQNILVSSNADETIRVWHMNSGKCVHVLAGPHKHQSAVTCVQLTRNFIISSGDDGTVKLWDKQSGAYIRDLLRLDGAGRGGVIWRIVASEERLICAAGSRIGMEPTKLVILQFQEPNLCSKHSNNFNSSNKILPHICRPRHKYAPEPRLSQLICTNFTTT
					

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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	29	Very low	28.3	Very low	244 Å²	244	149.4 Å²	149.4	100%	1.202	81%	0.813	S	S	*	*				0	98.7	0	-76	-178	174.8	0	0	108.3
2	S	31.2	Very low	28.2	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	82%	0.817	S	S	*	*			trans	-173.3	114.8	168.2	36.5	0	0	0	0	112
3	Y	30.2	Very low	28.6	Very low	218 Å²	218	153.5 Å²	153.5	86%	0.855	83%	0.826	S	S	*	*			trans	56.1	111.4	143.9	-70.5	-83	0	0	0	122.6
4	L	27.5	Very low	28.7	Very low	136 Å²	136	156.4 Å²	156.4	71%	0.712	83%	0.827	S	S	*	*			trans	-30.4	168.6	132.7	-54.6	99	0	0	0	114.3
5	E	28	Very low	28.5	Very low	155 Å²	155	162.8 Å²	162.8	72%	0.724	84%	0.836	S	S	*	*			cis	-160.8	163.4	26.6	-151.4	149.7	-138.4	0	0	112.9
6	S	25.6	Very low	28.5	Very low	99 Å²	99	160.6 Å²	160.6	69%	0.692	84%	0.838	S	S	*	*			trans	-69.8	147.9	174.1	52.9	0	0	0	0	113.6
7	F	29.8	Very low	28.4	Very low	203 Å²	203	157.3 Å²	157.3	89%	0.89	83%	0.831	S	S	*	*			trans	-131.2	153.2	152.3	-96.9	-77.5	0	0	0	113.4
8	S	30.2	Very low	28.5	Very low	102 Å²	102	158.4 Å²	158.4	71%	0.713	83%	0.831	S	S	*	*			trans	-115.8	170.6	-147.9	52.6	0	0	0	0	114.2
9	T	25.2	Very low	28.5	Very low	134 Å²	134	156.3 Å²	156.3	82%	0.822	83%	0.831	S	S	*	*			trans	-52.7	134.2	174.6	50.1	0	0	0	0	113.7
10	C	27.7	Very low	28.5	Very low	128 Å²	128	154.5 Å²	154.5	87%	0.865	83%	0.825	S	S	*	*			trans	-120.5	108.6	158.4	-165.1	0	0	0	0	110.4
11	T	26.7	Very low	28.6	Very low	116 Å²	116	152.2 Å²	152.2	71%	0.712	82%	0.821	S	S	*	*			trans	-98	152.1	168.1	51.8	0	0	0	0	110.4
12	K	27.5	Very low	28.7	Very low	198 Å²	198	146.1 Å²	146.1	86%	0.861	80%	0.802	S	S	*	*			trans	91.8	101	177.4	-55.5	170.7	178.5	173.4	0	116.5
13	V	33.4	Very low	28.7	Very low	154 Å²	154	149.2 Å²	149.2	93%	0.933	81%	0.805	S	S	*	*			trans	-132.6	146.5	131.2	-177	0	0	0	0	108.4
14	K	30.2	Very low	28.9	Very low	194 Å²	194	144.3 Å²	144.3	84%	0.843	80%	0.797	S	S	*	*			trans	-75.9	162.1	-168	-66	167.3	175.1	174.4	0	113.2
15	R	25.4	Very low	29.1	Very low	253 Å²	253	146.7 Å²	146.7	96%	0.955	80%	0.802	S	S	*	*			trans	-49.1	136.9	157.2	-70	172.9	171	158.9	-5	110
16	C	28.3	Very low	29.4	Very low	128 Å²	128	148.1 Å²	148.1	87%	0.865	81%	0.809	S	S	*	*			trans	-133.6	136.4	149.1	-162.2	0	0	0	0	108.4
17	S	27.4	Very low	29.8	Very low	104 Å²	104	152.7 Å²	152.7	73%	0.727	82%	0.816	S	S	*	*			trans	-128.1	104.1	-174.7	50.2	0	0	0	0	108.5
18	Q	30.6	Very low	30	Very low	178 Å²	178	150.1 Å²	150.1	83%	0.832	81%	0.812	S	S	*	*			trans	-167.9	141.8	157	-112.9	159.2	-3.7	0	0	111.8
19	S	27.7	Very low	30	Very low	118 Å²	118	151.8 Å²	151.8	83%	0.825	81%	0.812	S	S	*	*			trans	-81.1	111.8	171.4	47.1	0	0	0	0	110
20	V	28.7	Very low	30.1	Very low	119 Å²	119	154.9 Å²	154.9	72%	0.721	81%	0.814	S	S	*	*			trans	-144.3	151.9	171.7	-166.6	0	0	0	0	108.7
21	C	29.5	Very low	30.2	Very low	108 Å²	108	158.1 Å²	158.1	73%	0.73	81%	0.809	S	S	*	*			trans	81.2	60.2	176.6	-57.8	0	0	0	0	117.1
22	S	31.4	Very low	30.3	Very low	115 Å²	115	158.1 Å²	158.1	80%	0.804	81%	0.811	S	S	*	*	S	Bend	trans	-119.9	9.2	159	55.1	0	0	0	0	114.3
23	E	32.2	Very low	30.3	Very low	174 Å²	174	159.5 Å²	159.5	81%	0.813	81%	0.811	S	S	*	*	S	Bend	trans	-134.2	6.5	-168.7	-67.4	-173.3	147.6	0	0	116
24	T	34.9	Very low	30.1	Very low	115 Å²	115	160.3 Å²	160.3	71%	0.706	81%	0.809	S	S	*	*	S	Bend	trans	-120.5	5.6	-174.3	39.3	0	0	0	0	115.9
25	F	31.8	Very low	29.9	Very low	186 Å²	186	158.4 Å²	158.4	82%	0.816	81%	0.808	S	S	*	*	S	Bend	trans	-106.6	-5.5	-177.5	-137.1	-96.3	0	0	0	115.1
26	E	33.4	Very low	30.1	Very low	185 Å²	185	153 Å²	153	86%	0.864	80%	0.798	S	S	*	*	S	Bend	trans	-91.3	-1.8	-173.3	-68.4	-166.3	137.6	0	0	115.5
27	K	34.3	Very low	30.2	Very low	194 Å²	194	154.9 Å²	154.9	84%	0.843	80%	0.799	S	S	*	*	S	Bend	trans	-95.7	-15.9	-170.8	-78.6	-179	175.8	172.4	0	116.7
28	D	33.2	Very low	30.5	Very low	149 Å²	149	155 Å²	155	80%	0.797	80%	0.8	S	S	*	*	S	Bend	trans	-105.8	6.8	-168.6	-68.8	-19.8	0	0	0	115.6
29	L	30.7	Very low	30.4	Very low	137 Å²	137	156.9 Å²	156.9	72%	0.717	80%	0.8	S	S	*	*			trans	-119.2	64	-177.1	-74	170.3	0	0	0	113.6	Y31	L29-Y31 PolarHBondContact O-N 2.98Å
30	K	26.4	Very low	30.6	Very low	199 Å²	199	158.6 Å²	158.6	87%	0.865	80%	0.8	S	S	*	*			trans	-88.1	90	158.4	-79.2	-172.9	176.2	-179.1	0	110.6
31	Y	30.6	Very low	31.2	Very low	196 Å²	196	157.3 Å²	157.3	77%	0.769	79%	0.789	S	S	*	*			trans	-128.6	145.6	158.9	-72.3	-78.3	0	0	0	109.8	L29 R33	L29-Y31 PolarHBondContact O-N 2.98Å; Y31-R33 PolarHBondContact O-N 3.3Å
32	P	29.6	Very low	31.8	Very low	116 Å²	116	155.9 Å²	155.9	75%	0.753	77%	0.773	S	S	*	*			trans	-67.3	136.3	-167.8	-17.5	31.3	0	0	0	111.6	L34	P32-L34 PolarHBondContact O-N 3.08Å; P32-L34 VanDerWaalsContact O-N 3.08Å
33	R	26.9	Very low	32.2	Very low	228 Å²	228	152.5 Å²	152.5	86%	0.86	75%	0.745	S	S	*	*			trans	-66.7	106.6	162.4	-72.2	-177.8	178.9	175.3	-0.8	107.6	Y31 L35	Y31-R33 PolarHBondContact O-N 3.3Å; R33-L35 VanDerWaalsContact C-N 3.26Å; R33-L35 HydrophobicContact CB-CD1 4.18Å; R33-L35 PolarHBondContact O-N 3.34Å
34	L	29.7	Very low	32.6	Very low	170 Å²	170	149.3 Å²	149.3	89%	0.89	73%	0.73	S	S	*	*			trans	-69.2	91.9	160.8	-73.4	170.1	0	0	0	107.4	P32 D36	P32-L34 PolarHBondContact O-N 3.08Å; P32-L34 VanDerWaalsContact O-N 3.08Å; L34-D36 PolarHBondContact O-N 3.48Å
35	L	26.2	Very low	32.8	Very low	155 Å²	155	147.9 Å²	147.9	81%	0.812	72%	0.721	S	S	*	*			trans	-71.2	104	156.1	-74	97.7	0	0	0	106.6	R33	R33-L35 VanDerWaalsContact C-N 3.26Å; R33-L35 HydrophobicContact CB-CD1 4.18Å; R33-L35 PolarHBondContact O-N 3.34Å
36	D	29.8	Very low	33.1	Very low	140 Å²	140	143.4 Å²	143.4	75%	0.749	71%	0.705	S	S	*	*			trans	-153.6	148.5	153.5	-131	-30.6	0	0	0	112.8	L34 S38	L34-D36 PolarHBondContact O-N 3.48Å; D36-S38 VanDerWaalsContact C-N 3.26Å; D36-S38 PolarHBondContact O-N 2.97Å
37	N	30	Very low	33.4	Very low	166 Å²	166	137.9 Å²	137.9	89%	0.888	69%	0.688	S	S	*	*			trans	-83.6	28	-159.2	-84.8	-37.4	0	0	0	115.5	R39	N37-R39 PolarHBondContact O-N 2.96Å
38	S	32.7	Very low	33.5	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	68%	0.682	S	S	*	*			trans	-97	51.7	-174.9	59.4	0	0	0	0	114.5	D36 N40	D36-S38 VanDerWaalsContact C-N 3.26Å; D36-S38 PolarHBondContact O-N 2.97Å; S38-N40 PolarHBondContact O-N 3.04Å
39	R	28.1	Very low	33.6	Very low	218 Å²	218	137.3 Å²	137.3	82%	0.823	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	94.9	168.3	-73.9	-179.3	176	153.2	1.1	110.2	N37	N37-R39 PolarHBondContact O-N 2.96Å
40	N	33.7	Very low	33.7	Very low	154 Å²	154	139.2 Å²	139.2	82%	0.824	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-174.3	0.9	152.4	-99.5	-19.9	0	0	0	118.6	S38	S38-N40 PolarHBondContact O-N 3.04Å
41	N	39.7	Very low	34.2	Very low	92 Å²	92	133.6 Å²	133.6	49%	0.492	67%	0.673	S	S	.	*			trans	-129.1	90.4	-172	-81.6	-40.8	0	0	0	116	I43 H44	N41-I43 PolarHBondContact O-N 3.48Å; N41-H44 HydrophobicContact CB-CB 4.02Å; N41-H44 PolarHBondContact O-N 3Å
42	I	42.4	Very low	34.4	Very low	78 Å²	78	130.6 Å²	130.6	40%	0.4	67%	0.67	S	S	.	*	H	α-helix	trans	-58.4	-31.7	161	-81.9	179.9	0	0	0	111.2	H44 T45 L46 L109 P110	I42-H44 PolarHBondContact O-N 3.27Å; I42-T45 WeakPolarHBondContact O-CA 3.33Å; I42-T45 VanDerWaalsContact O-CB 3.3Å; I42-T45 WeakPolarHBondContact O-CB 3.34Å; I42-T45 PolarHBondContact O-N 3.41Å; I42-L46 PolarHBondContact O-N 3.35Å; I42-L109 HydrophobicContact CD1-CD2 3.99Å; I42-P110 HydrophobicContact CD1-CG 4.45Å
43	I	40.3	Very low	34.6	Very low	44 Å²	44	135.8 Å²	135.8	23%	0.226	68%	0.676	C	S	.	*	H	α-helix	trans	-62.8	-39.6	-179.9	-65	172.8	0	0	0	111.4	N41 T45 L46 S47 N66	N41-I43 PolarHBondContact O-N 3.48Å; I43-T45 PolarHBondContact O-N 3.46Å; I43-L46 WeakPolarHBondContact O-CB 3.07Å; I43-L46 PolarHBondContact O-N 3.49Å; I43-S47 PolarHBondContact O-N 3.34Å; I43-N66 WeakPolarHBondContact CD1-ND2 3.17Å
44	H	40.3	Very low	35.2	Very low	106 Å²	106	130.2 Å²	130.2	49%	0.491	67%	0.672	S	S	.	*	H	α-helix	trans	-65.9	-23.3	172.9	-88.4	-50	0	0	0	113.8	N41 I42 L46 S47 L48	N41-H44 HydrophobicContact CB-CB 4.02Å; N41-H44 PolarHBondContact O-N 3Å; I42-H44 PolarHBondContact O-N 3.27Å; H44-L46 PolarHBondContact O-N 3.43Å; H44-S47 PolarHBondContact ND1-OG 3.11Å; H44-S47 PolarHBondContact O-OG 3.12Å; H44-L48 WeakPolarHBondContact O-CD1 3.33Å; H44-L48 WeakPolarHBondContact O-CG 3.49Å
45	T	40	Very low	35.7	Very low	85 Å²	85	126.2 Å²	126.2	52%	0.521	66%	0.658	S	S	.	*	H	α-helix	trans	-74	-19.8	173.8	-49.2	0	0	0	0	111.6	I42 I43	I42-T45 WeakPolarHBondContact O-CA 3.33Å; I42-T45 VanDerWaalsContact O-CB 3.3Å; I42-T45 WeakPolarHBondContact O-CB 3.34Å; I42-T45 PolarHBondContact O-N 3.41Å; I43-T45 PolarHBondContact O-N 3.46Å
46	L	38	Very low	36.5	Very low	92 Å²	92	121.2 Å²	121.2	48%	0.482	64%	0.635	S	S	.	*	H	α-helix	trans	-93.6	-24.2	175.1	-64.5	169.7	0	0	0	112.7	I42 I43 H44 L48 T96 L100	I42-L46 PolarHBondContact O-N 3.35Å; I43-L46 WeakPolarHBondContact O-CB 3.07Å; I43-L46 PolarHBondContact O-N 3.49Å; H44-L46 PolarHBondContact O-N 3.43Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.24Å; L46-T96 HydrophobicContact CD2-CG2 4.34Å; L46-L100 HydrophobicContact CD2-CD1 4.1Å
47	S	39	Very low	37.4	Very low	70 Å²	70	120.9 Å²	120.9	49%	0.49	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-1.2	-178.9	82	0	0	0	0	115.1	I43 H44	I43-S47 PolarHBondContact O-N 3.34Å; H44-S47 PolarHBondContact ND1-OG 3.11Å; H44-S47 PolarHBondContact O-OG 3.12Å
48	L	36.1	Very low	38.3	Very low	138 Å²	138	118.8 Å²	118.8	72%	0.723	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	11.5	-171.9	-83.5	167.9	0	0	0	114.9	H44 L46	H44-L48 WeakPolarHBondContact O-CD1 3.33Å; H44-L48 WeakPolarHBondContact O-CG 3.49Å; L46-L48 VanDerWaalsContact C-N 3.35Å; L46-L48 PolarHBondContact O-N 3.24Å
49	Y	35.7	Very low	39.1	Very low	193 Å²	193	119.7 Å²	119.7	76%	0.757	61%	0.608	S	S	*	*	S	Bend	trans	-116.7	127.7	172.2	-74.7	-80.3	0	0	0	109.5	V51	Y49-V51 PolarHBondContact O-N 3.1Å; Y49-V51 VanDerWaalsContact O-N 3.12Å
50	D	31.9	Very low	40.1	Very low	176 Å²	176	113.5 Å²	113.5	94%	0.941	59%	0.591	S	S	*	*			trans	-55.9	114.8	172.9	-73.4	-57.2	0	0	0	110.1
51	V	37.5	Very low	41	Very low	81 Å²	81	111.2 Å²	111.2	49%	0.491	58%	0.576	S	S	.	*			trans	-119	131.5	173	176.8	0	0	0	0	108.1	Y49 Y53	Y49-V51 PolarHBondContact O-N 3.1Å; Y49-V51 VanDerWaalsContact O-N 3.12Å; V51-Y53 PolarHBondContact O-N 3.41Å
52	D	36	Very low	41.5	Very low	133 Å²	133	109.8 Å²	109.8	71%	0.711	57%	0.565	S	S	*	*			trans	-51.8	134.8	-171.9	-70.7	-57.7	0	0	0	113.9	S54	D52-S54 PolarHBondContact O-N 3.44Å
53	Y	33.8	Very low	41.9	Very low	225 Å²	225	111 Å²	111	88%	0.882	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	13	-170.7	-102.8	-96.1	0	0	0	117	V51	V51-Y53 PolarHBondContact O-N 3.41Å
54	S	39.5	Very low	42.5	Very low	111 Å²	111	114.5 Å²	114.5	78%	0.776	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	0.7	-169.8	59.3	0	0	0	0	115.5	D52	D52-S54 PolarHBondContact O-N 3.44Å
55	S	40.1	Very low	43.2	Very low	86 Å²	86	111.3 Å²	111.3	60%	0.601	58%	0.575	S	S	*	*	S	Bend	trans	-129.1	12.7	-176.2	56.2	0	0	0	0	114.8	N57	S55-N57 PolarHBondContact O-N 2.97Å
56	T	41.6	Very low	43.7	Very low	51 Å²	51	110 Å²	110	31%	0.313	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-3.5	-156.9	43.4	0	0	0	0	117.5	R58	T56-R58 PolarHBondContact O-N 3.13Å
57	N	49.9	Very low	44.4	Very low	132 Å²	132	111.9 Å²	111.9	71%	0.706	58%	0.575	S	S	*	*	H	α-helix	trans	-67	-36.4	-171.8	-89.7	-6.2	0	0	0	115.3	S55	S55-N57 PolarHBondContact O-N 2.97Å
58	R	48.7	Very low	44.8	Very low	122 Å²	122	113 Å²	113	46%	0.46	58%	0.582	S	S	.	*	H	α-helix	trans	-84.1	-21.9	-175	-73	-175.4	168.5	-170	-8.1	115	T56 Q84	T56-R58 PolarHBondContact O-N 3.13Å; R58-Q84 PolarHBondContact NH1-O 3.21Å
59	L	48	Very low	45.5	Very low	127 Å²	127	108.8 Å²	108.8	67%	0.665	56%	0.56	S	S	*	*	H	α-helix	trans	-77.2	-29.5	173.7	-76.2	165.6	0	0	0	111.4	E61 F62	L59-E61 VanDerWaalsContact C-N 3.34Å; L59-F62 WeakPolarHBondContact O-CB 3.3Å; L59-F62 PolarHBondContact O-N 3Å; L59-F62 VanDerWaalsContact O-N 3.11Å
60	N	51.1	Low	46.4	Very low	87 Å²	87	102.6 Å²	102.6	47%	0.465	55%	0.545	S	S	.	.	H	α-helix	trans	-69.9	-29.4	172.6	-66	-6.4	0	0	0	112.4	F62 E63	N60-F62 PolarHBondContact O-N 3.04Å; N60-E63 PolarHBondContact O-N 3.31Å
61	E	51.4	Low	47.4	Very low	107 Å²	107	98.4 Å²	98.4	50%	0.5	53%	0.529	S	S	.	.	H	α-helix	trans	-62.1	-29.5	169.5	-68	173.9	154	0	0	111.7	L59 N64 I65	L59-E61 VanDerWaalsContact C-N 3.34Å; E61-N64 PolarHBondContact O-N 3.29Å; E61-I65 PolarHBondContact O-N 3.18Å
62	F	50.7	Low	48.1	Very low	61 Å²	61	101.4 Å²	101.4	27%	0.268	54%	0.538	S	S	.	.	H	α-helix	trans	-70.5	-28.5	178.8	-144.8	-92.9	0	0	0	113.3	L59 N60 N66 L78 L81	L59-F62 WeakPolarHBondContact O-CB 3.3Å; L59-F62 PolarHBondContact O-N 3Å; L59-F62 VanDerWaalsContact O-N 3.11Å; N60-F62 PolarHBondContact O-N 3.04Å; F62-N66 PolarHBondContact O-ND2 3.32Å; F62-L78 HydrophobicContact CE2-CD1 4.46Å; F62-L78 HydrophobicContact CE2-CG 4.3Å; F62-L78 HydrophobicContact CZ-CD1 3.67Å; F62-L78 HydrophobicContact CZ-CG 3.98Å; F62-L81 HydrophobicContact CD2-CD1 4.22Å; F62-L81 HydrophobicContact CD2-CD2 4.15Å; F62-L81 HydrophobicContact CE2-CD2 4.07Å
63	E	51.1	Low	49.1	Very low	105 Å²	105	98.7 Å²	98.7	49%	0.491	52%	0.523	S	S	.	.	H	α-helix	trans	-69.1	-41.1	171.1	-74.2	-166.2	136.1	0	0	111.4	N60 I65 N66	N60-E63 PolarHBondContact O-N 3.31Å; E63-I65 VanDerWaalsContact C-N 3.28Å; E63-I65 PolarHBondContact O-N 3.3Å; E63-N66 PolarHBondContact O-N 3.39Å
64	N	52.7	Low	50.2	Low	117 Å²	117	92.2 Å²	92.2	63%	0.626	50%	0.497	S	S	*	.	H	α-helix	trans	-63.9	-29.7	-178.5	-74.3	-40.5	0	0	0	113.4	E61 N66	E61-N64 PolarHBondContact O-N 3.29Å; N64-N66 PolarHBondContact O-N 3.3Å
65	I	53.5	Low	51	Low	39 Å²	39	90.3 Å²	90.3	20%	0.2	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.2	177.1	-69.6	170.5	0	0	0	112.5	E61 E63 N67 Q77	E61-I65 PolarHBondContact O-N 3.18Å; E63-I65 VanDerWaalsContact C-N 3.28Å; E63-I65 PolarHBondContact O-N 3.3Å; I65-N67 VanDerWaalsContact C-N 3.3Å; I65-N67 PolarHBondContact O-N 3.11Å; I65-Q77 HydrophobicContact CD1-CB 4.47Å
66	N	52.1	Low	52	Low	56 Å²	56	88.9 Å²	88.9	30%	0.299	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-71.3	-21.4	-173.8	-73.2	-60.5	0	0	0	114.8	I43 F62 E63 N64 R74	I43-N66 WeakPolarHBondContact CD1-ND2 3.17Å; F62-N66 PolarHBondContact O-ND2 3.32Å; E63-N66 PolarHBondContact O-N 3.39Å; N64-N66 PolarHBondContact O-N 3.3Å; N66-R74 PolarHBondContact O-NH2 3.34Å
67	N	52.6	Low	52.9	Low	133 Å²	133	89.8 Å²	89.8	71%	0.711	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-87.1	-8.9	-161.1	-75.2	-28.7	0	0	0	116	I65	I65-N67 VanDerWaalsContact C-N 3.3Å; I65-N67 PolarHBondContact O-N 3.11Å
68	S	47.7	Very low	53.4	Low	92 Å²	92	87 Å²	87	64%	0.643	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.6	-18.1	-179.1	62.5	0	0	0	0	118.1
69	L	50.7	Low	54.3	Low	50 Å²	50	84 Å²	84	26%	0.262	45%	0.454	S	S	.	.			trans	-99.2	154	-164.3	-67.1	111.4	0	0	0	116.7	D73 R74	L69-D73 HydrophobicContact CB-CB 4.13Å; L69-D73 HydrophobicContact CD2-CB 3.8Å; L69-R74 PolarHBondContact O-NE 2.78Å; L69-R74 PolarHBondContact O-NH2 3.4Å; L69-R74 VanDerWaalsContact O-NH2 3.13Å
70	C	53.9	Low	55.4	Low	63 Å²	63	79.9 Å²	79.9	43%	0.426	44%	0.439	S	S	.	.			trans	-64.8	157.1	176	179.9	0	0	0	0	112.2	H72 D73 R74	C70-H72 PolarHBondContact O-N 2.77Å; C70-D73 WeakPolarHBondContact CB-OD2 3.49Å; C70-D73 PolarHBondContact O-N 3.12Å; C70-R74 WeakPolarHBondContact O-CG 3.44Å; C70-R74 PolarHBondContact O-N 3.34Å; C70-R74 VanDerWaalsContact O-N 3.15Å
71	S	52.1	Low	56.1	Low	88 Å²	88	77.9 Å²	77.9	62%	0.615	43%	0.428	S	S	*	.	H	α-helix	trans	-58.8	-33.2	-179	56.6	0	0	0	0	113.7	L75	S71-L75 PolarHBondContact O-N 3.42Å
72	H	52	Low	57.1	Low	145 Å²	145	76.5 Å²	76.5	67%	0.671	42%	0.423	S	S	*	.	H	α-helix	trans	-73.6	-35.4	179.9	-152.4	-38	0	0	0	112.7	C70 A76	C70-H72 PolarHBondContact O-N 2.77Å; H72-A76 PolarHBondContact O-N 3.36Å
73	D	57.7	Low	58.1	Low	76 Å²	76	79.6 Å²	79.6	41%	0.406	44%	0.442	S	S	.	.	H	α-helix	trans	-70.9	-38.2	177	-59.2	-42.6	0	0	0	111.3	L69 C70 L75 A76 Q77	L69-D73 HydrophobicContact CB-CB 4.13Å; L69-D73 HydrophobicContact CD2-CB 3.8Å; C70-D73 WeakPolarHBondContact CB-OD2 3.49Å; C70-D73 PolarHBondContact O-N 3.12Å; D73-L75 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 3.48Å; D73-A76 PolarHBondContact O-N 3.49Å; D73-Q77 WeakPolarHBondContact O-CB 3.11Å; D73-Q77 WeakPolarHBondContact O-CG 3.41Å; D73-Q77 PolarHBondContact O-N 2.95Å
74	R	56.2	Low	59.2	Low	88 Å²	88	80.5 Å²	80.5	33%	0.332	45%	0.447	S	S	.	.	H	α-helix	trans	-57.2	-46.6	175.6	-68.4	173.7	-167.8	-130.6	-8.8	111.5	N66 L69 C70 L78	N66-R74 PolarHBondContact O-NH2 3.34Å; L69-R74 PolarHBondContact O-NE 2.78Å; L69-R74 PolarHBondContact O-NH2 3.4Å; L69-R74 VanDerWaalsContact O-NH2 3.13Å; C70-R74 WeakPolarHBondContact O-CG 3.44Å; C70-R74 PolarHBondContact O-N 3.34Å; C70-R74 VanDerWaalsContact O-N 3.15Å; R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 3.44Å
75	L	57.7	Low	60	Low	72 Å²	72	76 Å²	76	38%	0.377	42%	0.424	S	S	.	.	H	α-helix	trans	-66.5	-38.9	177.6	-76.8	169.7	0	0	0	112.3	S71 D73 L78 S79	S71-L75 PolarHBondContact O-N 3.42Å; D73-L75 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 3.48Å; L75-L78 PolarHBondContact O-N 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.48Å; L75-S79 PolarHBondContact O-N 3.3Å
76	A	61.7	Low	61.2	Low	56 Å²	56	77 Å²	77	46%	0.463	44%	0.435	S	S	.	.	H	α-helix	trans	-65.4	-44.8	177	0	0	0	0	0	112.2	H72 D73 S79 A80	H72-A76 PolarHBondContact O-N 3.36Å; D73-A76 PolarHBondContact O-N 3.49Å; A76-S79 PolarHBondContact O-N 2.89Å; A76-A80 WeakPolarHBondContact O-CB 3.41Å; A76-A80 PolarHBondContact O-N 3.43Å
77	Q	59.6	Low	62.2	Low	70 Å²	70	81.3 Å²	81.3	33%	0.327	45%	0.453	S	S	.	.	H	α-helix	trans	-67	-37.6	176.2	-70.4	178.2	3.6	0	0	112	I65 D73 A80 L81	I65-Q77 HydrophobicContact CD1-CB 4.47Å; D73-Q77 WeakPolarHBondContact O-CB 3.11Å; D73-Q77 WeakPolarHBondContact O-CG 3.41Å; D73-Q77 PolarHBondContact O-N 2.95Å; Q77-A80 PolarHBondContact O-N 3.29Å; Q77-L81 WeakPolarHBondContact O-CB 3.42Å; Q77-L81 PolarHBondContact O-N 3.02Å
78	L	60.9	Low	63.2	Low	72 Å²	72	77.1 Å²	77.1	38%	0.377	44%	0.441	S	S	.	.	H	α-helix	trans	-67.6	-38.4	176.5	-166.6	153.6	0	0	0	111.5	F62 R74 L75 I82	F62-L78 HydrophobicContact CE2-CD1 4.46Å; F62-L78 HydrophobicContact CE2-CG 4.3Å; F62-L78 HydrophobicContact CZ-CD1 3.67Å; F62-L78 HydrophobicContact CZ-CG 3.98Å; R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 3.44Å; L75-L78 PolarHBondContact O-N 3.26Å; L78-I82 HydrophobicContact CD2-CD1 3.7Å; L78-I82 VanDerWaalsContact O-CG1 3.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.39Å; L78-I82 PolarHBondContact O-N 3.37Å; L78-I82 VanDerWaalsContact O-N 3.08Å
79	S	66.4	Low	64.3	Low	60 Å²	60	76.1 Å²	76.1	42%	0.42	43%	0.426	S	S	.	.	H	α-helix	trans	-62.6	-49.6	169.3	-166.6	0	0	0	0	111.4	L75 A76 L81 I82 D83	L75-S79 WeakPolarHBondContact O-CB 3.48Å; L75-S79 PolarHBondContact O-N 3.3Å; A76-S79 PolarHBondContact O-N 2.89Å; S79-L81 PolarHBondContact O-N 3.24Å; S79-I82 WeakPolarHBondContact O-CB 3.23Å; S79-I82 PolarHBondContact O-N 3.2Å; S79-I82 VanDerWaalsContact O-N 3.1Å; S79-D83 PolarHBondContact O-N 3.16Å
80	A	71	Confident	65.2	Low	41 Å²	41	77 Å²	77	34%	0.339	43%	0.431	S	S	.	.	H	α-helix	trans	-62	-30.5	-179.9	0	0	0	0	0	113.1	A76 Q77 Q84	A76-A80 WeakPolarHBondContact O-CB 3.41Å; A76-A80 PolarHBondContact O-N 3.43Å; Q77-A80 PolarHBondContact O-N 3.29Å; A80-Q84 VanDerWaalsContact O-CG 3.24Å; A80-Q84 WeakPolarHBondContact O-CG 3.48Å; A80-Q84 PolarHBondContact O-N 3.3Å; A80-Q84 PolarHBondContact O-NE2 3.32Å
81	L	66.9	Low	66.1	Low	44 Å²	44	78.3 Å²	78.3	23%	0.23	43%	0.433	C	S	.	.	H	α-helix	trans	-74.2	-40	174.2	-168.1	129.9	0	0	0	111.8	F62 Q77 S79 D83 Q84 C85	F62-L81 HydrophobicContact CD2-CD1 4.22Å; F62-L81 HydrophobicContact CD2-CD2 4.15Å; F62-L81 HydrophobicContact CE2-CD2 4.07Å; Q77-L81 WeakPolarHBondContact O-CB 3.42Å; Q77-L81 PolarHBondContact O-N 3.02Å; S79-L81 PolarHBondContact O-N 3.24Å; L81-D83 VanDerWaalsContact C-N 3.31Å; L81-D83 PolarHBondContact O-N 2.81Å; L81-Q84 CarbonylContact O-C 3.55Å; L81-Q84 PolarHBondContact O-N 3.29Å; L81-Q84 VanDerWaalsContact O-N 3.12Å; L81-C85 PolarHBondContact O-N 3.34Å; L81-C85 VanDerWaalsContact O-N 3.16Å; L81-C85 PolarHBondContact O-SG 3.3Å
82	I	71.8	Confident	67.1	Low	78 Å²	78	79.3 Å²	79.3	40%	0.4	43%	0.428	S	S	.	.	H	α-helix	trans	-60.4	-41.7	172	-71.4	169.2	0	0	0	110.9	L78 S79 Q84 C85 L90	L78-I82 HydrophobicContact CD2-CD1 3.7Å; L78-I82 VanDerWaalsContact O-CG1 3.31Å; L78-I82 WeakPolarHBondContact O-CG1 3.39Å; L78-I82 PolarHBondContact O-N 3.37Å; L78-I82 VanDerWaalsContact O-N 3.08Å; S79-I82 WeakPolarHBondContact O-CB 3.23Å; S79-I82 PolarHBondContact O-N 3.2Å; S79-I82 VanDerWaalsContact O-N 3.1Å; I82-Q84 PolarHBondContact O-N 3.19Å; I82-C85 WeakPolarHBondContact O-CB 3.44Å; I82-C85 PolarHBondContact O-N 2.67Å; I82-L90 HydrophobicContact CG2-CD2 4.11Å
83	D	72.9	Confident	67.9	Low	126 Å²	126	75.4 Å²	75.4	67%	0.674	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.8	177	-66.8	-35.3	0	0	0	113	S79 L81	S79-D83 PolarHBondContact O-N 3.16Å; L81-D83 VanDerWaalsContact C-N 3.31Å; L81-D83 PolarHBondContact O-N 2.81Å
84	Q	72.6	Confident	68.2	Low	125 Å²	125	78.8 Å²	78.8	58%	0.584	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-3.6	175.8	-71.6	175.3	42.4	0	0	114	R58 A80 L81 I82	R58-Q84 PolarHBondContact NH1-O 3.21Å; A80-Q84 VanDerWaalsContact O-CG 3.24Å; A80-Q84 WeakPolarHBondContact O-CG 3.48Å; A80-Q84 PolarHBondContact O-N 3.3Å; A80-Q84 PolarHBondContact O-NE2 3.32Å; L81-Q84 CarbonylContact O-C 3.55Å; L81-Q84 PolarHBondContact O-N 3.29Å; L81-Q84 VanDerWaalsContact O-N 3.12Å; I82-Q84 PolarHBondContact O-N 3.19Å
85	C	70.7	Confident	68.8	Low	21 Å²	21	82.5 Å²	82.5	14%	0.142	44%	0.441	C	S	.	.			trans	-73.7	132.6	176.3	-72.3	0	0	0	0	111.4	L81 I82 E89 L90	L81-C85 PolarHBondContact O-N 3.34Å; L81-C85 VanDerWaalsContact O-N 3.16Å; L81-C85 PolarHBondContact O-SG 3.3Å; I82-C85 WeakPolarHBondContact O-CB 3.44Å; I82-C85 PolarHBondContact O-N 2.67Å; C85-E89 HydrophobicContact CB-CB 3.98Å; C85-L90 HydrophobicContact CB-CD2 3.7Å; C85-L90 HydrophobicContact CB-CG 3.71Å
86	S	78.3	Confident	69.2	Low	62 Å²	62	81.8 Å²	81.8	43%	0.434	44%	0.44	S	S	.	.			trans	-62.2	160.7	166.1	69.5	0	0	0	0	111.5	G88 E89 L90	S86-G88 PolarHBondContact O-N 3.47Å; S86-G88 VanDerWaalsContact O-N 3.15Å; S86-E89 WeakPolarHBondContact CA-OE2 3.39Å; S86-E89 WeakPolarHBondContact CB-OE2 3.47Å; S86-E89 PolarHBondContact N-OE2 3.43Å; S86-E89 PolarHBondContact O-N 3.03Å; S86-E89 VanDerWaalsContact O-N 3.08Å; S86-E89 WeakPolarHBondContact OG-CG 3.42Å; S86-E89 PolarHBondContact OG-N 3.49Å; S86-E89 PolarHBondContact OG-OE2 3.07Å; S86-L90 PolarHBondContact O-N 3.32Å
87	H	73.1	Confident	69.3	Low	145 Å²	145	82.7 Å²	82.7	67%	0.671	44%	0.436	S	S	*	.	H	α-helix	trans	-57.6	-31.7	177.4	-168.8	73.3	0	0	0	113	L91	H87-L91 WeakPolarHBondContact O-CB 3.3Å; H87-L91 VanDerWaalsContact O-CG 3.29Å; H87-L91 WeakPolarHBondContact O-CG 3.4Å; H87-L91 PolarHBondContact O-N 2.99Å
88	G	72.4	Confident	69.3	Low	46 Å²	46	86.1 Å²	86.1	47%	0.474	45%	0.45	S	S	.	.	H	α-helix	trans	-68	-43.7	175	0	0	0	0	0	112.9	S86 L91 H92	S86-G88 PolarHBondContact O-N 3.47Å; S86-G88 VanDerWaalsContact O-N 3.15Å; G88-L91 PolarHBondContact O-N 2.78Å; G88-H92 PolarHBondContact O-N 2.99Å
89	E	70.9	Confident	69.2	Low	70 Å²	70	86.2 Å²	86.2	33%	0.327	46%	0.455	S	S	.	.	H	α-helix	trans	-64.4	-44.2	175.3	-71.2	159.7	121.1	0	0	111.1	C85 S86 L91 H92 I93	C85-E89 HydrophobicContact CB-CB 3.98Å; S86-E89 WeakPolarHBondContact CA-OE2 3.39Å; S86-E89 WeakPolarHBondContact CB-OE2 3.47Å; S86-E89 PolarHBondContact N-OE2 3.43Å; S86-E89 PolarHBondContact O-N 3.03Å; S86-E89 VanDerWaalsContact O-N 3.08Å; S86-E89 WeakPolarHBondContact OG-CG 3.42Å; S86-E89 PolarHBondContact OG-N 3.49Å; S86-E89 PolarHBondContact OG-OE2 3.07Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.13Å; E89-H92 WeakPolarHBondContact O-CB 3.38Å; E89-H92 PolarHBondContact O-N 3.29Å; E89-H92 VanDerWaalsContact O-N 3.15Å; E89-I93 WeakPolarHBondContact O-CB 3.41Å; E89-I93 VanDerWaalsContact O-CG1 3.26Å; E89-I93 WeakPolarHBondContact O-CG1 3.5Å; E89-I93 PolarHBondContact O-N 2.98Å
90	L	71.1	Confident	68.6	Low	68 Å²	68	86.5 Å²	86.5	36%	0.356	45%	0.451	S	S	.	.	H	α-helix	trans	-61.6	-38.8	174.9	-68.8	175.6	0	0	0	112.6	I82 C85 S86 K94	I82-L90 HydrophobicContact CG2-CD2 4.11Å; C85-L90 HydrophobicContact CB-CD2 3.7Å; C85-L90 HydrophobicContact CB-CG 3.71Å; S86-L90 PolarHBondContact O-N 3.32Å; L90-K94 WeakPolarHBondContact O-CB 3.44Å; L90-K94 PolarHBondContact O-N 3.21Å
91	L	71.7	Confident	67.9	Low	92 Å²	92	89.1 Å²	89.1	48%	0.482	46%	0.459	S	S	.	.	H	α-helix	trans	-66.5	-39.6	173.3	-78.1	173.2	0	0	0	112	H87 G88 E89 K95	H87-L91 WeakPolarHBondContact O-CB 3.3Å; H87-L91 VanDerWaalsContact O-CG 3.29Å; H87-L91 WeakPolarHBondContact O-CG 3.4Å; H87-L91 PolarHBondContact O-N 2.99Å; G88-L91 PolarHBondContact O-N 2.78Å; E89-L91 VanDerWaalsContact C-N 3.33Å; E89-L91 PolarHBondContact O-N 3.13Å; L91-K95 VanDerWaalsContact O-CB 3.25Å; L91-K95 WeakPolarHBondContact O-CB 3.1Å; L91-K95 PolarHBondContact O-N 3.19Å
92	H	72.7	Confident	67.3	Low	108 Å²	108	95.9 Å²	95.9	50%	0.5	49%	0.487	S	S	.	.	H	α-helix	trans	-63.5	-53.9	174.6	-175.2	96.3	0	0	0	110.8	G88 E89 K94 K95 T96	G88-H92 PolarHBondContact O-N 2.99Å; E89-H92 WeakPolarHBondContact O-CB 3.38Å; E89-H92 PolarHBondContact O-N 3.29Å; E89-H92 VanDerWaalsContact O-N 3.15Å; H92-K94 VanDerWaalsContact C-N 3.29Å; H92-K94 PolarHBondContact O-N 2.93Å; H92-K95 CarbonylContact O-C 3.58Å; H92-K95 WeakPolarHBondContact O-CA 3.46Å; H92-K95 WeakPolarHBondContact O-CB 3.41Å; H92-K95 PolarHBondContact O-N 3.09Å; H92-T96 PolarHBondContact NE2-OG1 2.83Å; H92-T96 PolarHBondContact O-N 2.78Å; H92-T96 PolarHBondContact O-OG1 2.99Å; H92-T96 VanDerWaalsContact O-OG1 3.1Å
93	I	69.3	Low	66.9	Low	64 Å²	64	100 Å²	100	33%	0.328	50%	0.497	S	S	.	.	H	α-helix	trans	-51.1	-48.7	175.3	-70.1	164.8	0	0	0	110.4	E89 K95 T96 I97	E89-I93 WeakPolarHBondContact O-CB 3.41Å; E89-I93 VanDerWaalsContact O-CG1 3.26Å; E89-I93 WeakPolarHBondContact O-CG1 3.5Å; E89-I93 PolarHBondContact O-N 2.98Å; I93-K95 VanDerWaalsContact C-N 3.35Å; I93-K95 PolarHBondContact O-N 3.15Å; I93-T96 PolarHBondContact O-N 3.04Å; I93-I97 HydrophobicContact CG2-CD1 3.57Å; I93-I97 HydrophobicContact CG2-CG1 4.36Å; I93-I97 WeakPolarHBondContact O-CB 3.42Å; I93-I97 VanDerWaalsContact O-CG1 3.32Å; I93-I97 WeakPolarHBondContact O-CG1 3.27Å; I93-I97 PolarHBondContact O-N 2.9Å
94	K	64.8	Low	66.9	Low	146 Å²	146	96.5 Å²	96.5	64%	0.635	48%	0.479	S	S	*	.	H	α-helix	trans	-62.7	-37.7	176.7	-173.2	174.6	-174.3	172.3	0	112.7	L90 H92 K98	L90-K94 WeakPolarHBondContact O-CB 3.44Å; L90-K94 PolarHBondContact O-N 3.21Å; H92-K94 VanDerWaalsContact C-N 3.29Å; H92-K94 PolarHBondContact O-N 2.93Å; K94-K98 WeakPolarHBondContact O-CB 3.39Å; K94-K98 PolarHBondContact O-N 3.24Å
95	K	69	Low	67	Low	167 Å²	167	93.8 Å²	93.8	73%	0.726	47%	0.465	S	S	*	.	H	α-helix	trans	-71.6	-31.5	178.2	-165.4	-178.1	-177.2	-171.6	0	112.1	L91 H92 I93 P99	L91-K95 VanDerWaalsContact O-CB 3.25Å; L91-K95 WeakPolarHBondContact O-CB 3.1Å; L91-K95 PolarHBondContact O-N 3.19Å; H92-K95 CarbonylContact O-C 3.58Å; H92-K95 WeakPolarHBondContact O-CA 3.46Å; H92-K95 WeakPolarHBondContact O-CB 3.41Å; H92-K95 PolarHBondContact O-N 3.09Å; I93-K95 VanDerWaalsContact C-N 3.35Å; I93-K95 PolarHBondContact O-N 3.15Å; K95-P99 WeakPolarHBondContact O-CD 3.37Å; K95-P99 WeakPolarHBondContact O-CG 3.45Å
96	T	65.3	Low	67.4	Low	57 Å²	57	93 Å²	93	35%	0.35	46%	0.459	S	S	.	.	H	α-helix	trans	-82.7	-37.1	178.3	-55.1	0	0	0	0	112.4	L46 H92 I93 P99	L46-T96 HydrophobicContact CD2-CG2 4.34Å; H92-T96 PolarHBondContact NE2-OG1 2.83Å; H92-T96 PolarHBondContact O-N 2.78Å; H92-T96 PolarHBondContact O-OG1 2.99Å; H92-T96 VanDerWaalsContact O-OG1 3.1Å; I93-T96 PolarHBondContact O-N 3.04Å; T96-P99 WeakPolarHBondContact O-CD 3.17Å
97	I	63.5	Low	67.3	Low	75 Å²	75	91.9 Å²	91.9	39%	0.385	45%	0.454	S	S	.	.	H	α-helix	trans	-77.7	-36.1	177.1	-67.6	177.1	0	0	0	112.4	I93 L100 L101	I93-I97 HydrophobicContact CG2-CD1 3.57Å; I93-I97 HydrophobicContact CG2-CG1 4.36Å; I93-I97 WeakPolarHBondContact O-CB 3.42Å; I93-I97 VanDerWaalsContact O-CG1 3.32Å; I93-I97 WeakPolarHBondContact O-CG1 3.27Å; I93-I97 PolarHBondContact O-N 2.9Å; I97-L100 CarbonylContact O-C 3.59Å; I97-L100 WeakPolarHBondContact O-CA 3.45Å; I97-L100 WeakPolarHBondContact O-CB 3.23Å; I97-L100 PolarHBondContact O-N 2.91Å; I97-L101 HydrophobicContact CG2-CD1 3.74Å; I97-L101 HydrophobicContact CG2-CD2 4.5Å; I97-L101 HydrophobicContact CG2-CG 3.78Å; I97-L101 PolarHBondContact O-N 3.28Å
98	K	59.5	Low	67.4	Low	141 Å²	141	92.8 Å²	92.8	61%	0.613	45%	0.453	S	S	*	.	H	α-helix	trans	-58.2	-36.6	-175.8	-177.7	178.6	-176.3	-176.6	0	114.9	K94 K102	K94-K98 WeakPolarHBondContact O-CB 3.39Å; K94-K98 PolarHBondContact O-N 3.24Å; K98-K102 PolarHBondContact O-N 2.93Å
99	P	60.2	Low	67.6	Low	75 Å²	75	92.9 Å²	92.9	49%	0.487	44%	0.442	S	S	.	.	H	α-helix	trans	-65.7	-35.9	169.5	-23.8	34.4	0	0	0	113.5	K95 T96 K102	K95-P99 WeakPolarHBondContact O-CD 3.37Å; K95-P99 WeakPolarHBondContact O-CG 3.45Å; T96-P99 WeakPolarHBondContact O-CD 3.17Å; P99-K102 WeakPolarHBondContact O-CB 3.37Å; P99-K102 PolarHBondContact O-N 3.09Å
100	L	53.8	Low	68.1	Low	65 Å²	65	92.2 Å²	92.2	34%	0.34	44%	0.444	S	S	.	.	H	α-helix	trans	-69.2	-36	176.5	-60.3	172.3	0	0	0	111.1	L46 I97 K102 R103	L46-L100 HydrophobicContact CD2-CD1 4.1Å; I97-L100 CarbonylContact O-C 3.59Å; I97-L100 WeakPolarHBondContact O-CA 3.45Å; I97-L100 WeakPolarHBondContact O-CB 3.23Å; I97-L100 PolarHBondContact O-N 2.91Å; L100-K102 PolarHBondContact O-N 3.29Å; L100-R103 WeakPolarHBondContact O-CB 3.34Å; L100-R103 PolarHBondContact O-N 3.15Å
101	L	54.4	Low	68.3	Low	97 Å²	97	92.4 Å²	92.4	51%	0.508	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.8	171	-68.2	173.6	0	0	0	114.6	I97 R103 F105	I97-L101 HydrophobicContact CG2-CD1 3.74Å; I97-L101 HydrophobicContact CG2-CD2 4.5Å; I97-L101 HydrophobicContact CG2-CG 3.78Å; I97-L101 PolarHBondContact O-N 3.28Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-F105 HydrophobicContact CD2-CB 4.19Å; L101-F105 HydrophobicContact CD2-CD1 4.04Å; L101-F105 HydrophobicContact CD2-CD2 4.26Å; L101-F105 HydrophobicContact CD2-CG 3.89Å
102	K	55.8	Low	68.6	Low	186 Å²	186	94.2 Å²	94.2	81%	0.809	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-14.6	167.1	-69	-170.4	173.7	-172.5	0	112.9	K98 P99 L100	K98-K102 PolarHBondContact O-N 2.93Å; P99-K102 WeakPolarHBondContact O-CB 3.37Å; P99-K102 PolarHBondContact O-N 3.09Å; L100-K102 PolarHBondContact O-N 3.29Å
103	R	62.8	Low	69.1	Low	163 Å²	163	92.7 Å²	92.7	62%	0.615	45%	0.448	S	S	*	.	S	Bend	trans	-89.7	166.2	170.8	-61.7	-179.7	173.7	162.7	-1.8	108.8	L100 L101 F105 Y108	L100-R103 WeakPolarHBondContact O-CB 3.34Å; L100-R103 PolarHBondContact O-N 3.15Å; L101-R103 VanDerWaalsContact C-N 3.32Å; R103-F105 PolarHBondContact O-N 3.46Å; R103-Y108 HydrophobicContact CB-CD2 4.18Å; R103-Y108 HydrophobicContact CB-CE2 3.94Å
104	D	72.7	Confident	69.8	Low	53 Å²	53	89.6 Å²	89.6	28%	0.283	43%	0.433	S	S	.	.			trans	-66.6	80.3	173.9	-174.8	-16.6	0	0	0	110.3	I106 A107 Y108 W136	D104-I106 VanDerWaalsContact C-N 3.31Å; D104-I106 PolarHBondContact O-N 2.74Å; D104-A107 HydrophobicContact CB-CB 4.04Å; D104-A107 WeakPolarHBondContact O-CB 3.21Å; D104-A107 PolarHBondContact O-N 2.89Å; D104-A107 VanDerWaalsContact O-N 3.07Å; D104-A107 WeakPolarHBondContact OD1-CB 3.31Å; D104-A107 PolarHBondContact OD1-N 3.21Å; D104-A107 VanDerWaalsContact OD1-N 3.16Å; D104-Y108 WeakPolarHBondContact O-CD2 3.32Å; D104-Y108 PolarHBondContact O-N 2.71Å; D104-W136 PolarHBondContact OD1-NE1 3.1Å; D104-W136 PolarHBondContact OD2-NE1 3.37Å
105	F	74.7	Confident	70.7	Confident	69 Å²	69	84.5 Å²	84.5	30%	0.303	41%	0.412	S	S	.	.	H	α-helix	trans	-64.3	-33.6	-169	74.1	-84.1	0	0	0	112.8	L101 R103 A107 Y108 L109 I117 W136	L101-F105 HydrophobicContact CD2-CB 4.19Å; L101-F105 HydrophobicContact CD2-CD1 4.04Å; L101-F105 HydrophobicContact CD2-CD2 4.26Å; L101-F105 HydrophobicContact CD2-CG 3.89Å; R103-F105 PolarHBondContact O-N 3.46Å; F105-A107 VanDerWaalsContact C-N 3.29Å; F105-A107 PolarHBondContact O-N 3.38Å; F105-Y108 PolarHBondContact O-N 2.57Å; F105-Y108 VanDerWaalsContact O-N 3.13Å; F105-L109 HydrophobicContact CD2-CD1 3.81Å; F105-L109 HydrophobicContact CE2-CD1 4.41Å; F105-L109 VanDerWaalsContact O-CG 3.3Å; F105-L109 WeakPolarHBondContact O-CG 3.36Å; F105-L109 PolarHBondContact O-N 2.99Å; F105-I117 HydrophobicContact CE2-CD1 4.2Å; F105-W136 HydrophobicContact CE1-CH2 4.38Å; F105-W136 HydrophobicContact CE1-CZ2 4.39Å; F105-W136 HydrophobicContact CZ-CH2 4.48Å
106	I	80.1	Confident	71.2	Confident	3 Å²	3	79.5 Å²	79.5	2%	0.015	39%	0.391	C	S	.	.	H	α-helix	trans	-63.6	-35.7	174.7	-69.5	-61.9	0	0	0	111.2	D104 Y108 S114 I117 W136	D104-I106 VanDerWaalsContact C-N 3.31Å; D104-I106 PolarHBondContact O-N 2.74Å; I106-Y108 VanDerWaalsContact C-N 3.31Å; I106-Y108 PolarHBondContact O-N 3.23Å; I106-S114 PolarHBondContact O-OG 3.43Å; I106-I117 HydrophobicContact CD1-CB 4.47Å; I106-I117 HydrophobicContact CD1-CD1 4.36Å; I106-I117 HydrophobicContact CD1-CG2 4.3Å; I106-W136 HydrophobicContact CB-CD2 4.2Å; I106-W136 HydrophobicContact CB-CH2 4.16Å; I106-W136 HydrophobicContact CB-CZ2 3.76Å; I106-W136 HydrophobicContact CB-CZ3 4.49Å; I106-W136 HydrophobicContact CG1-CD2 4.46Å; I106-W136 HydrophobicContact CG1-CE3 4.34Å; I106-W136 HydrophobicContact CG1-CH2 3.47Å; I106-W136 VanDerWaalsContact CG1-CH2 3.47Å; I106-W136 HydrophobicContact CG1-CZ2 3.55Å; I106-W136 HydrophobicContact CG1-CZ3 3.87Å; I106-W136 HydrophobicContact CG2-CD2 4.15Å; I106-W136 HydrophobicContact CG2-CE3 4.37Å; I106-W136 HydrophobicContact CG2-CG 4.48Å
107	A	74.9	Confident	72.2	Confident	40 Å²	40	79.5 Å²	79.5	33%	0.331	39%	0.388	S	S	.	.	H	α-helix	trans	-74.6	-14.9	175	0	0	0	0	0	114.5	D104 F105 T135	D104-A107 HydrophobicContact CB-CB 4.04Å; D104-A107 WeakPolarHBondContact O-CB 3.21Å; D104-A107 PolarHBondContact O-N 2.89Å; D104-A107 VanDerWaalsContact O-N 3.07Å; D104-A107 WeakPolarHBondContact OD1-CB 3.31Å; D104-A107 PolarHBondContact OD1-N 3.21Å; D104-A107 VanDerWaalsContact OD1-N 3.16Å; F105-A107 VanDerWaalsContact C-N 3.29Å; F105-A107 PolarHBondContact O-N 3.38Å; A107-T135 HydrophobicContact CB-CG2 3.75Å
108	Y	75	Confident	73.3	Confident	163 Å²	163	76 Å²	76	64%	0.639	37%	0.37	S	S	*	.	H	α-helix	trans	-105	-12.2	177.9	-70	-67.7	0	0	0	114.3	R103 D104 F105 I106	R103-Y108 HydrophobicContact CB-CD2 4.18Å; R103-Y108 HydrophobicContact CB-CE2 3.94Å; D104-Y108 WeakPolarHBondContact O-CD2 3.32Å; D104-Y108 PolarHBondContact O-N 2.71Å; F105-Y108 PolarHBondContact O-N 2.57Å; F105-Y108 VanDerWaalsContact O-N 3.13Å; I106-Y108 VanDerWaalsContact C-N 3.31Å; I106-Y108 PolarHBondContact O-N 3.23Å
109	L	77.6	Confident	74.6	Confident	49 Å²	49	72 Å²	72	26%	0.257	35%	0.354	S	S	.	.	S	Bend	trans	-84.4	150.9	176.3	-76.8	172.8	0	0	0	111.8	I42 F105 I113 S114 I117	I42-L109 HydrophobicContact CD1-CD2 3.99Å; F105-L109 HydrophobicContact CD2-CD1 3.81Å; F105-L109 HydrophobicContact CE2-CD1 4.41Å; F105-L109 VanDerWaalsContact O-CG 3.3Å; F105-L109 WeakPolarHBondContact O-CG 3.36Å; F105-L109 PolarHBondContact O-N 2.99Å; L109-I113 HydrophobicContact CD1-CG2 4.07Å; L109-I113 HydrophobicContact CD2-CG2 4.23Å; L109-S114 WeakPolarHBondContact CB-OG 3.44Å; L109-I117 HydrophobicContact CD1-CD1 3.65Å
110	P	81	Confident	75.8	Confident	55 Å²	55	76.6 Å²	76.6	36%	0.357	36%	0.363	S	S	.	.			trans	-51.1	140.4	163.2	-25	33.2	0	0	0	111.1	I42 E112 I113 S114	I42-P110 HydrophobicContact CD1-CG 4.45Å; P110-E112 WeakPolarHBondContact CB-OE2 3.32Å; P110-E112 PolarHBondContact O-N 3.16Å; P110-E112 VanDerWaalsContact O-N 3.15Å; P110-I113 HydrophobicContact CB-CD1 4.43Å; P110-I113 HydrophobicContact CB-CG1 4.31Å; P110-I113 HydrophobicContact CG-CD1 4.09Å; P110-I113 PolarHBondContact O-N 2.85Å; P110-S114 PolarHBondContact O-N 3.18Å
111	V	76.2	Confident	77.4	Confident	72 Å²	72	76.3 Å²	76.3	44%	0.436	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-33.4	-172	67.4	0	0	0	0	111.9	I113 S114 L115 V139	V111-I113 PolarHBondContact O-N 3.12Å; V111-S114 PolarHBondContact O-N 2.97Å; V111-L115 HydrophobicContact CG2-CD1 4.08Å; V111-L115 HydrophobicContact CG2-CG 4.25Å; V111-L115 WeakPolarHBondContact O-CB 3Å; V111-L115 VanDerWaalsContact O-CG 3.23Å; V111-L115 WeakPolarHBondContact O-CG 3.07Å; V111-L115 PolarHBondContact O-N 2.91Å; V111-V139 HydrophobicContact CG2-CG1 4.37Å; V111-V139 HydrophobicContact CG2-CG2 4.47Å
112	E	78	Confident	78.9	Confident	131 Å²	131	74.2 Å²	74.2	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-39.7	177.6	-53.2	78.5	-175	0	0	111.8	P110 H116	P110-E112 WeakPolarHBondContact CB-OE2 3.32Å; P110-E112 PolarHBondContact O-N 3.16Å; P110-E112 VanDerWaalsContact O-N 3.15Å; E112-H116 WeakPolarHBondContact O-CB 3.13Å; E112-H116 PolarHBondContact O-N 3.33Å
113	I	82	Confident	80.3	Confident	75 Å²	75	66.5 Å²	66.5	39%	0.385	32%	0.323	S	S	.	.	H	α-helix	trans	-72.5	-42.3	176.8	-56.3	-176.5	0	0	0	109.4	L109 P110 V111 L115 H116 I117	L109-I113 HydrophobicContact CD1-CG2 4.07Å; L109-I113 HydrophobicContact CD2-CG2 4.23Å; P110-I113 HydrophobicContact CB-CD1 4.43Å; P110-I113 HydrophobicContact CB-CG1 4.31Å; P110-I113 HydrophobicContact CG-CD1 4.09Å; P110-I113 PolarHBondContact O-N 2.85Å; V111-I113 PolarHBondContact O-N 3.12Å; I113-L115 PolarHBondContact O-N 2.95Å; I113-H116 PolarHBondContact O-N 3.4Å; I113-I117 HydrophobicContact CG2-CD1 4.08Å; I113-I117 VanDerWaalsContact O-CG1 3.31Å; I113-I117 WeakPolarHBondContact O-CG1 3.37Å; I113-I117 PolarHBondContact O-N 3.01Å
114	S	84.1	Confident	81.4	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-45.2	175.2	-69.3	0	0	0	0	112.1	I106 L109 P110 V111 I117 L118	I106-S114 PolarHBondContact O-OG 3.43Å; L109-S114 WeakPolarHBondContact CB-OG 3.44Å; P110-S114 PolarHBondContact O-N 3.18Å; V111-S114 PolarHBondContact O-N 2.97Å; S114-I117 PolarHBondContact O-N 3.2Å; S114-L118 WeakPolarHBondContact O-CG 3.42Å; S114-L118 PolarHBondContact O-N 3.16Å
115	L	83.3	Confident	82.3	Confident	38 Å²	38	68 Å²	68	20%	0.199	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-39.9	174.2	-69.2	172.7	0	0	0	112.3	V111 I113 I117 L118 Q119 V139 D142 L145	V111-L115 HydrophobicContact CG2-CD1 4.08Å; V111-L115 HydrophobicContact CG2-CG 4.25Å; V111-L115 WeakPolarHBondContact O-CB 3Å; V111-L115 VanDerWaalsContact O-CG 3.23Å; V111-L115 WeakPolarHBondContact O-CG 3.07Å; V111-L115 PolarHBondContact O-N 2.91Å; I113-L115 PolarHBondContact O-N 2.95Å; L115-I117 VanDerWaalsContact C-N 3.27Å; L115-I117 PolarHBondContact O-N 3.41Å; L115-L118 PolarHBondContact O-N 3.41Å; L115-Q119 PolarHBondContact O-N 2.75Å; L115-V139 HydrophobicContact CD2-CG1 3.94Å; L115-V139 WeakPolarHBondContact CD2-O 3.4Å; L115-V139 HydrophobicContact CG-CG1 4.22Å; L115-D142 HydrophobicContact CD1-CB 4.34Å; L115-D142 HydrophobicContact CD2-CB 3.45Å; L115-D142 VanDerWaalsContact CD2-CB 3.45Å; L115-L145 HydrophobicContact CD2-CB 4.26Å; L115-L145 HydrophobicContact CD2-CD2 4.29Å
116	H	81.1	Confident	83	Confident	62 Å²	62	64.7 Å²	64.7	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-63.7	-31.7	174.5	-172.4	94.8	0	0	0	112.3	E112 I113 Q119 Y120	E112-H116 WeakPolarHBondContact O-CB 3.13Å; E112-H116 PolarHBondContact O-N 3.33Å; I113-H116 PolarHBondContact O-N 3.4Å; H116-Q119 PolarHBondContact CE1-NE2 3.22Å; H116-Q119 VanDerWaalsContact CE1-NE2 3.32Å; H116-Q119 PolarHBondContact ND1-NE2 3.01Å; H116-Q119 VanDerWaalsContact ND1-NE2 3.17Å; H116-Q119 VanDerWaalsContact O-CG 3.32Å; H116-Q119 WeakPolarHBondContact O-CG 3.44Å; H116-Q119 PolarHBondContact O-NE2 3.24Å; H116-Y120 AromaticContact CD2-CE2 3.86Å; H116-Y120 AromaticContact NE2-CE2 3.69Å; H116-Y120 WeakPolarHBondContact O-CD2 3.44Å; H116-Y120 VanDerWaalsContact O-CE2 3.24Å; H116-Y120 WeakPolarHBondContact O-CE2 3.25Å
117	I	86.3	Confident	83.4	Confident	58 Å²	58	65.7 Å²	65.7	30%	0.297	32%	0.32	S	S	.	.	H	α-helix	trans	-73.2	-46.4	171.9	-68.4	165.5	0	0	0	110.6	F105 I106 L109 I113 S114 L115 Q119 Y120	F105-I117 HydrophobicContact CE2-CD1 4.2Å; I106-I117 HydrophobicContact CD1-CB 4.47Å; I106-I117 HydrophobicContact CD1-CD1 4.36Å; I106-I117 HydrophobicContact CD1-CG2 4.3Å; L109-I117 HydrophobicContact CD1-CD1 3.65Å; I113-I117 HydrophobicContact CG2-CD1 4.08Å; I113-I117 VanDerWaalsContact O-CG1 3.31Å; I113-I117 WeakPolarHBondContact O-CG1 3.37Å; I113-I117 PolarHBondContact O-N 3.01Å; S114-I117 PolarHBondContact O-N 3.2Å; L115-I117 VanDerWaalsContact C-N 3.27Å; L115-I117 PolarHBondContact O-N 3.41Å; I117-Q119 VanDerWaalsContact C-N 3.26Å; I117-Q119 PolarHBondContact O-N 3.02Å; I117-Y120 PolarHBondContact O-N 2.94Å
118	L	86.7	Confident	84.1	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-61.4	-31.2	-178.8	-71.1	-178.6	0	0	0	113.1	S114 L115 Y120 L121 I126 C129 V139 C140 L145	S114-L118 WeakPolarHBondContact O-CG 3.42Å; S114-L118 PolarHBondContact O-N 3.16Å; L115-L118 PolarHBondContact O-N 3.41Å; L118-Y120 PolarHBondContact O-N 2.94Å; L118-Y120 VanDerWaalsContact O-N 3.14Å; L118-L121 HydrophobicContact CD2-CD1 3.72Å; L118-L121 WeakPolarHBondContact O-CB 3.48Å; L118-L121 PolarHBondContact O-N 3.38Å; L118-I126 WeakPolarHBondContact O-CD1 3.44Å; L118-C129 HydrophobicContact CD2-CB 4.49Å; L118-V139 HydrophobicContact CD1-CB 4.49Å; L118-V139 HydrophobicContact CD1-CG1 3.83Å; L118-C140 HydrophobicContact CD1-CB 4.41Å; L118-L145 HydrophobicContact CB-CD1 4.29Å; L118-L145 HydrophobicContact CB-CD2 3.94Å; L118-L145 HydrophobicContact CD1-CD2 3.93Å
119	Q	85.2	Confident	84.9	Confident	56 Å²	56	61.4 Å²	61.4	26%	0.262	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.1	179.2	89.1	-163.6	-19.7	0	0	114	L115 H116 I117 L145 R148	L115-Q119 PolarHBondContact O-N 2.75Å; H116-Q119 PolarHBondContact CE1-NE2 3.22Å; H116-Q119 VanDerWaalsContact CE1-NE2 3.32Å; H116-Q119 PolarHBondContact ND1-NE2 3.01Å; H116-Q119 VanDerWaalsContact ND1-NE2 3.17Å; H116-Q119 VanDerWaalsContact O-CG 3.32Å; H116-Q119 WeakPolarHBondContact O-CG 3.44Å; H116-Q119 PolarHBondContact O-NE2 3.24Å; I117-Q119 VanDerWaalsContact C-N 3.26Å; I117-Q119 PolarHBondContact O-N 3.02Å; Q119-L145 HydrophobicContact CB-CD1 4.19Å; Q119-R148 VanDerWaalsContact OE1-NH1 3.1Å
120	Y	85.6	Confident	85.4	Confident	173 Å²	173	59.6 Å²	59.6	68%	0.678	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-8	176.1	-66.8	-74.4	0	0	0	113.4	H116 I117 L118	H116-Y120 AromaticContact CD2-CE2 3.86Å; H116-Y120 AromaticContact NE2-CE2 3.69Å; H116-Y120 WeakPolarHBondContact O-CD2 3.44Å; H116-Y120 VanDerWaalsContact O-CE2 3.24Å; H116-Y120 WeakPolarHBondContact O-CE2 3.25Å; I117-Y120 PolarHBondContact O-N 2.94Å; L118-Y120 PolarHBondContact O-N 2.94Å; L118-Y120 VanDerWaalsContact O-N 3.14Å
121	L	87.3	Confident	85.8	Confident	59 Å²	59	62.9 Å²	62.9	31%	0.309	30%	0.304	S	S	.	.	S	Bend	trans	-85.7	151.6	176.8	-61.7	-175.4	0	0	0	110.7	L118 D125 I126	L118-L121 HydrophobicContact CD2-CD1 3.72Å; L118-L121 WeakPolarHBondContact O-CB 3.48Å; L118-L121 PolarHBondContact O-N 3.38Å; L121-D125 HydrophobicContact CB-CB 4.15Å; L121-I126 HydrophobicContact CB-CD1 4.41Å; L121-I126 HydrophobicContact CB-CG1 3.82Å
122	S	86	Confident	86.3	Confident	52 Å²	52	63.8 Å²	63.8	36%	0.364	31%	0.309	S	S	.	.			trans	-69	152.1	171.7	81.7	0	0	0	0	110.1	R124 D125 I126	S122-R124 PolarHBondContact O-N 2.78Å; S122-R124 PolarHBondContact OG-N 3.48Å; S122-D125 VanDerWaalsContact CB-OD2 3.28Å; S122-D125 WeakPolarHBondContact CB-OD2 3.49Å; S122-D125 PolarHBondContact N-OD2 3.41Å; S122-D125 WeakPolarHBondContact O-CA 3.37Å; S122-D125 WeakPolarHBondContact O-CB 3.26Å; S122-D125 PolarHBondContact O-N 2.92Å; S122-D125 PolarHBondContact OG-N 2.82Å; S122-D125 PolarHBondContact OG-OD2 3.09Å; S122-I126 WeakPolarHBondContact O-CG1 3.45Å; S122-I126 PolarHBondContact O-N 3.47Å
123	P	86	Confident	86.6	Confident	24 Å²	24	59.4 Å²	59.4	16%	0.156	29%	0.293	C	S	.	.	H	α-helix	trans	-55.4	-27.9	174.6	-30.6	38.5	0	0	0	113.8	F127 W146 L149 Y259	P123-F127 WeakPolarHBondContact O-CD2 3.32Å; P123-F127 WeakPolarHBondContact O-CG 3.4Å; P123-F127 PolarHBondContact O-N 3.02Å; P123-F127 VanDerWaalsContact O-N 3.14Å; P123-W146 HydrophobicContact CB-CH2 4.45Å; P123-W146 HydrophobicContact CB-CZ3 4.28Å; P123-L149 HydrophobicContact CG-CD1 4.31Å; P123-L149 HydrophobicContact CG-CD2 4.09Å; P123-Y259 HydrophobicContact CB-CD1 4.39Å; P123-Y259 HydrophobicContact CB-CE1 3.63Å; P123-Y259 HydrophobicContact CB-CE2 4.47Å; P123-Y259 HydrophobicContact CG-CE1 4.15Å; P123-Y259 HydrophobicContact CG-CE2 4.18Å; P123-Y259 WeakPolarHBondContact CG-OH 3.22Å
124	R	85.6	Confident	86.8	Confident	178 Å²	178	64.1 Å²	64.1	67%	0.672	31%	0.31	S	S	*	.	H	α-helix	trans	-63.7	-47	170.8	175.6	-179.3	-70.1	174.8	-0.1	110.9	S122 F127 H128	S122-R124 PolarHBondContact O-N 2.78Å; S122-R124 PolarHBondContact OG-N 3.48Å; R124-F127 PolarHBondContact O-N 3.27Å; R124-H128 PolarHBondContact O-N 3.49Å; R124-H128 PolarHBondContact O-ND1 3.29Å
125	D	90.9	Very high	86.8	Confident	70 Å²	70	67.3 Å²	67.3	37%	0.374	33%	0.33	S	S	.	.	H	α-helix	trans	-67.7	-40.4	-179.3	-53.5	-44.7	0	0	0	110.5	L121 S122 F127 H128 C129	L121-D125 HydrophobicContact CB-CB 4.15Å; S122-D125 VanDerWaalsContact CB-OD2 3.28Å; S122-D125 WeakPolarHBondContact CB-OD2 3.49Å; S122-D125 PolarHBondContact N-OD2 3.41Å; S122-D125 WeakPolarHBondContact O-CA 3.37Å; S122-D125 WeakPolarHBondContact O-CB 3.26Å; S122-D125 PolarHBondContact O-N 2.92Å; S122-D125 PolarHBondContact OG-N 2.82Å; S122-D125 PolarHBondContact OG-OD2 3.09Å; D125-F127 VanDerWaalsContact C-N 3.26Å; D125-F127 PolarHBondContact O-N 3.41Å; D125-H128 CarbonylContact O-C 3.54Å; D125-H128 WeakPolarHBondContact O-CA 3.5Å; D125-H128 WeakPolarHBondContact O-CB 3.4Å; D125-H128 PolarHBondContact O-N 2.91Å; D125-C129 WeakPolarHBondContact O-CB 3.42Å; D125-C129 PolarHBondContact O-N 2.88Å; D125-C129 PolarHBondContact O-SG 3.48Å
126	I	91	Very high	87.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-38	174.3	-60.3	170	0	0	0	111.2	L118 L121 S122 H128 C129 A130 C140 L145 W146 L149	L118-I126 WeakPolarHBondContact O-CD1 3.44Å; L121-I126 HydrophobicContact CB-CD1 4.41Å; L121-I126 HydrophobicContact CB-CG1 3.82Å; S122-I126 WeakPolarHBondContact O-CG1 3.45Å; S122-I126 PolarHBondContact O-N 3.47Å; I126-H128 VanDerWaalsContact C-N 3.32Å; I126-H128 PolarHBondContact O-N 3.23Å; I126-C129 WeakPolarHBondContact O-CB 3.47Å; I126-C129 PolarHBondContact O-N 3.25Å; I126-A130 WeakPolarHBondContact O-CB 3.49Å; I126-A130 PolarHBondContact O-N 2.9Å; I126-C140 HydrophobicContact CG2-CB 4.01Å; I126-L145 HydrophobicContact CD1-CD1 4.45Å; I126-L145 HydrophobicContact CD1-CD2 4.46Å; I126-L145 HydrophobicContact CG2-CD2 4.33Å; I126-W146 HydrophobicContact CB-CZ2 4.47Å; I126-W146 HydrophobicContact CG2-CH2 4.33Å; I126-W146 HydrophobicContact CG2-CZ2 3.72Å; I126-L149 HydrophobicContact CD1-CD1 3.56Å; I126-L149 HydrophobicContact CD1-CD2 4.48Å
127	F	88.6	Confident	87.5	Confident	24 Å²	24	68.4 Å²	68.4	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-67.9	-24.1	172.3	-72.3	-48	0	0	0	114.7	P123 R124 D125 Q131 W146 K256 R260 L263	P123-F127 WeakPolarHBondContact O-CD2 3.32Å; P123-F127 WeakPolarHBondContact O-CG 3.4Å; P123-F127 PolarHBondContact O-N 3.02Å; P123-F127 VanDerWaalsContact O-N 3.14Å; R124-F127 PolarHBondContact O-N 3.27Å; D125-F127 VanDerWaalsContact C-N 3.26Å; D125-F127 PolarHBondContact O-N 3.41Å; F127-Q131 WeakPolarHBondContact O-CG 3.44Å; F127-Q131 PolarHBondContact O-NE2 2.83Å; F127-W146 AromaticContact CD1-CH2 3.95Å; F127-W146 HydrophobicContact CD1-CH2 3.95Å; F127-W146 HydrophobicContact CD1-CZ2 4.09Å; F127-W146 HydrophobicContact CD2-CH2 4.34Å; F127-W146 AromaticContact CE1-CH2 3.33Å; F127-W146 HydrophobicContact CE1-CH2 3.33Å; F127-W146 AromaticContact CE1-CZ2 3.61Å; F127-W146 HydrophobicContact CE1-CZ2 3.61Å; F127-W146 HydrophobicContact CE1-CZ3 4.2Å; F127-W146 AromaticContact CE2-CH2 3.8Å; F127-W146 HydrophobicContact CE2-CH2 3.8Å; F127-W146 HydrophobicContact CE2-CZ3 4.3Å; F127-W146 HydrophobicContact CG-CH2 4.4Å; F127-W146 AromaticContact CZ-CH2 3.24Å; F127-W146 HydrophobicContact CZ-CH2 3.24Å; F127-W146 HydrophobicContact CZ-CZ2 4.01Å; F127-W146 AromaticContact CZ-CZ3 3.73Å; F127-W146 HydrophobicContact CZ-CZ3 3.73Å; F127-K256 HydrophobicContact CE1-CG 4.43Å; F127-R260 HydrophobicContact CE1-CG 3.87Å; F127-R260 HydrophobicContact CE2-CG 4.35Å; F127-R260 HydrophobicContact CZ-CG 3.44Å; F127-R260 VanDerWaalsContact CZ-CG 3.44Å; F127-L263 HydrophobicContact CE2-CD2 4.2Å
128	H	89.4	Confident	87.4	Confident	94 Å²	94	72.2 Å²	72.2	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-82.4	-41.2	172	-67.2	85.2	0	0	0	110.9	R124 D125 I126 A130 Q131	R124-H128 PolarHBondContact O-N 3.49Å; R124-H128 PolarHBondContact O-ND1 3.29Å; D125-H128 CarbonylContact O-C 3.54Å; D125-H128 WeakPolarHBondContact O-CA 3.5Å; D125-H128 WeakPolarHBondContact O-CB 3.4Å; D125-H128 PolarHBondContact O-N 2.91Å; I126-H128 VanDerWaalsContact C-N 3.32Å; I126-H128 PolarHBondContact O-N 3.23Å; H128-A130 VanDerWaalsContact C-N 3.29Å; H128-A130 PolarHBondContact O-N 3.24Å; H128-Q131 WeakPolarHBondContact O-CB 3.48Å; H128-Q131 PolarHBondContact O-N 3.42Å
129	C	90	Very high	87.4	Confident	18 Å²	18	73 Å²	73	12%	0.122	36%	0.358	C	S	.	.	H	α-helix	trans	-52.9	-46	171.6	-71.4	0	0	0	0	111.3	L118 D125 I126 Q131 V132 W136	L118-C129 HydrophobicContact CD2-CB 4.49Å; D125-C129 WeakPolarHBondContact O-CB 3.42Å; D125-C129 PolarHBondContact O-N 2.88Å; D125-C129 PolarHBondContact O-SG 3.48Å; I126-C129 WeakPolarHBondContact O-CB 3.47Å; I126-C129 PolarHBondContact O-N 3.25Å; C129-Q131 PolarHBondContact O-N 3Å; C129-V132 WeakPolarHBondContact O-CB 3.44Å; C129-V132 WeakPolarHBondContact O-CG2 3.37Å; C129-V132 PolarHBondContact O-N 2.93Å; C129-W136 HydrophobicContact CB-CE3 3.6Å; C129-W136 HydrophobicContact CB-CZ3 3.74Å; C129-W136 VanDerWaalsContact O-CB 3.27Å; C129-W136 WeakPolarHBondContact O-CB 3.45Å
130	A	89.3	Confident	87.6	Confident	12 Å²	12	70.3 Å²	70.3	10%	0.099	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-10	175	0	0	0	0	0	115.2	I126 H128 Q137 C140	I126-A130 WeakPolarHBondContact O-CB 3.49Å; I126-A130 PolarHBondContact O-N 2.9Å; H128-A130 VanDerWaalsContact C-N 3.29Å; H128-A130 PolarHBondContact O-N 3.24Å; A130-Q137 WeakPolarHBondContact O-CB 3.41Å; A130-C140 HydrophobicContact CB-CB 3.72Å
131	Q	88.4	Confident	87.7	Confident	124 Å²	124	64.8 Å²	64.8	58%	0.579	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.8	176.4	-62.2	170.7	34.8	0	0	113.1	F127 H128 C129	F127-Q131 WeakPolarHBondContact O-CG 3.44Å; F127-Q131 PolarHBondContact O-NE2 2.83Å; H128-Q131 WeakPolarHBondContact O-CB 3.48Å; H128-Q131 PolarHBondContact O-N 3.42Å; C129-Q131 PolarHBondContact O-N 3Å
132	V	87.4	Confident	87.7	Confident	91 Å²	91	64.1 Å²	64.1	55%	0.552	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-48.5	-175.2	175.3	0	0	0	0	111.9	C129 W136	C129-V132 WeakPolarHBondContact O-CB 3.44Å; C129-V132 WeakPolarHBondContact O-CG2 3.37Å; C129-V132 PolarHBondContact O-N 2.93Å; V132-W136 HydrophobicContact CB-CB 4.2Å; V132-W136 HydrophobicContact CB-CD2 4.03Å; V132-W136 HydrophobicContact CB-CG 3.87Å; V132-W136 HydrophobicContact CG1-CD2 4.21Å; V132-W136 HydrophobicContact CG1-CG 4.1Å; V132-W136 HydrophobicContact CG2-CD2 4.41Å
133	S	85	Confident	87.5	Confident	38 Å²	38	63.6 Å²	63.6	27%	0.266	32%	0.317	S	S	.	.			trans	-158.6	168	176.1	82.8	0	0	0	0	111	T135 W136 Q137	S133-T135 PolarHBondContact O-N 2.86Å; S133-T135 PolarHBondContact OG-N 3.43Å; S133-W136 PolarHBondContact O-N 3.22Å; S133-W136 PolarHBondContact OG-N 3.21Å; S133-Q137 PolarHBondContact O-N 2.92Å
134	K	86	Confident	87.3	Confident	174 Å²	174	68 Å²	68	76%	0.757	34%	0.339	S	S	*	.	H	α-helix	trans	-58	-35.7	174.2	-70.1	-173.3	178.3	-177.6	0	112.2	Q137 L138	K134-Q137 PolarHBondContact O-N 3.47Å; K134-L138 WeakPolarHBondContact O-CG 3.44Å; K134-L138 PolarHBondContact O-N 3.28Å
135	T	83.1	Confident	87.4	Confident	67 Å²	67	59.8 Å²	59.8	41%	0.411	31%	0.309	S	S	.	.	H	α-helix	trans	-67.4	-45.7	177.8	-45.4	0	0	0	0	111.1	A107 S133 Q137 L138 V139	A107-T135 HydrophobicContact CB-CG2 3.75Å; S133-T135 PolarHBondContact O-N 2.86Å; S133-T135 PolarHBondContact OG-N 3.43Å; T135-Q137 VanDerWaalsContact C-N 3.3Å; T135-Q137 PolarHBondContact O-N 2.92Å; T135-L138 PolarHBondContact O-N 3.42Å; T135-V139 PolarHBondContact O-N 2.85Å
136	W	90.1	Very high	87.2	Confident	30 Å²	30	56.5 Å²	56.5	11%	0.114	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-40.8	173.2	-80	68.1	0	0	0	111.9	D104 F105 I106 C129 V132 S133 L138 V139 C140	D104-W136 PolarHBondContact OD1-NE1 3.1Å; D104-W136 PolarHBondContact OD2-NE1 3.37Å; F105-W136 HydrophobicContact CE1-CH2 4.38Å; F105-W136 HydrophobicContact CE1-CZ2 4.39Å; F105-W136 HydrophobicContact CZ-CH2 4.48Å; I106-W136 HydrophobicContact CB-CD2 4.2Å; I106-W136 HydrophobicContact CB-CH2 4.16Å; I106-W136 HydrophobicContact CB-CZ2 3.76Å; I106-W136 HydrophobicContact CB-CZ3 4.49Å; I106-W136 HydrophobicContact CG1-CD2 4.46Å; I106-W136 HydrophobicContact CG1-CE3 4.34Å; I106-W136 HydrophobicContact CG1-CH2 3.47Å; I106-W136 VanDerWaalsContact CG1-CH2 3.47Å; I106-W136 HydrophobicContact CG1-CZ2 3.55Å; I106-W136 HydrophobicContact CG1-CZ3 3.87Å; I106-W136 HydrophobicContact CG2-CD2 4.15Å; I106-W136 HydrophobicContact CG2-CE3 4.37Å; I106-W136 HydrophobicContact CG2-CG 4.48Å; C129-W136 HydrophobicContact CB-CE3 3.6Å; C129-W136 HydrophobicContact CB-CZ3 3.74Å; C129-W136 VanDerWaalsContact O-CB 3.27Å; C129-W136 WeakPolarHBondContact O-CB 3.45Å; V132-W136 HydrophobicContact CB-CB 4.2Å; V132-W136 HydrophobicContact CB-CD2 4.03Å; V132-W136 HydrophobicContact CB-CG 3.87Å; V132-W136 HydrophobicContact CG1-CD2 4.21Å; V132-W136 HydrophobicContact CG1-CG 4.1Å; V132-W136 HydrophobicContact CG2-CD2 4.41Å; S133-W136 PolarHBondContact O-N 3.22Å; S133-W136 PolarHBondContact OG-N 3.21Å; W136-L138 PolarHBondContact O-N 2.81Å; W136-V139 PolarHBondContact O-N 2.94Å; W136-C140 VanDerWaalsContact O-CB 3.23Å; W136-C140 WeakPolarHBondContact O-CB 3.33Å; W136-C140 PolarHBondContact O-N 2.9Å; W136-C140 PolarHBondContact O-SG 2.86Å
137	Q	88.8	Confident	86.8	Confident	94 Å²	94	59 Å²	59	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-58.7	-47.1	176.6	-168.2	-173.8	-18.5	0	0	111.1	A130 S133 K134 T135 V139 C140 D141	A130-Q137 WeakPolarHBondContact O-CB 3.41Å; S133-Q137 PolarHBondContact O-N 2.92Å; K134-Q137 PolarHBondContact O-N 3.47Å; T135-Q137 VanDerWaalsContact C-N 3.3Å; T135-Q137 PolarHBondContact O-N 2.92Å; Q137-V139 PolarHBondContact O-N 3.28Å; Q137-C140 PolarHBondContact O-N 2.92Å; Q137-D141 WeakPolarHBondContact O-CB 3.46Å; Q137-D141 PolarHBondContact O-N 3.08Å
138	L	84.8	Confident	86.4	Confident	137 Å²	137	64.2 Å²	64.2	72%	0.717	32%	0.322	S	S	*	.	H	α-helix	trans	-59.2	-43.7	178.4	-72	167.3	0	0	0	112.5	K134 T135 W136 D141	K134-L138 WeakPolarHBondContact O-CG 3.44Å; K134-L138 PolarHBondContact O-N 3.28Å; T135-L138 PolarHBondContact O-N 3.42Å; W136-L138 PolarHBondContact O-N 2.81Å; L138-D141 PolarHBondContact O-N 3.27Å
139	V	86	Confident	86.2	Confident	18 Å²	18	61 Å²	61	11%	0.109	31%	0.307	C	S	.	.	H	α-helix	trans	-73.8	-35.2	179.6	-174.3	0	0	0	0	112.1	V111 L115 L118 T135 W136 Q137 D141	V111-V139 HydrophobicContact CG2-CG1 4.37Å; V111-V139 HydrophobicContact CG2-CG2 4.47Å; L115-V139 HydrophobicContact CD2-CG1 3.94Å; L115-V139 WeakPolarHBondContact CD2-O 3.4Å; L115-V139 HydrophobicContact CG-CG1 4.22Å; L118-V139 HydrophobicContact CD1-CB 4.49Å; L118-V139 HydrophobicContact CD1-CG1 3.83Å; T135-V139 PolarHBondContact O-N 2.85Å; W136-V139 PolarHBondContact O-N 2.94Å; Q137-V139 PolarHBondContact O-N 3.28Å; V139-D141 PolarHBondContact O-N 3.4Å
140	C	90.2	Very high	85.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-74.6	-12.2	175.2	-64.7	0	0	0	0	113.5	L118 I126 A130 W136 Q137 W146	L118-C140 HydrophobicContact CD1-CB 4.41Å; I126-C140 HydrophobicContact CG2-CB 4.01Å; A130-C140 HydrophobicContact CB-CB 3.72Å; W136-C140 VanDerWaalsContact O-CB 3.23Å; W136-C140 WeakPolarHBondContact O-CB 3.33Å; W136-C140 PolarHBondContact O-N 2.9Å; W136-C140 PolarHBondContact O-SG 2.86Å; Q137-C140 PolarHBondContact O-N 2.92Å; C140-W146 PolarHBondContact O-NE1 3.33Å
141	D	87.2	Confident	85.4	Confident	57 Å²	57	62.9 Å²	62.9	31%	0.305	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	5.5	-178.6	-72	26.7	0	0	0	112.2	Q137 L138 V139 N143 K256	Q137-D141 WeakPolarHBondContact O-CB 3.46Å; Q137-D141 PolarHBondContact O-N 3.08Å; L138-D141 PolarHBondContact O-N 3.27Å; V139-D141 PolarHBondContact O-N 3.4Å; D141-N143 PolarHBondContact O-N 3.15Å; D141-K256 IonicContact OD1-NZ 2.57Å; D141-K256 PolarHBondContact OD1-NZ 3.4Å; D141-K256 IonicContact OD2-NZ 2.71Å; D141-K256 PolarHBondContact OD2-NZ 3.07Å
142	D	86.9	Confident	84.8	Confident	44 Å²	44	60.3 Å²	60.3	24%	0.235	32%	0.324	C	S	.	.			trans	-55.4	129.5	174.6	171.3	57.1	0	0	0	112.9	L115 L144 L145 W146	L115-D142 HydrophobicContact CD1-CB 4.34Å; L115-D142 HydrophobicContact CD2-CB 3.45Å; L115-D142 VanDerWaalsContact CD2-CB 3.45Å; D142-L144 VanDerWaalsContact C-N 3.34Å; D142-L144 PolarHBondContact O-N 2.89Å; D142-L144 WeakPolarHBondContact OD2-CB 3.46Å; D142-L144 PolarHBondContact OD2-N 3.26Å; D142-L145 HydrophobicContact CB-CB 4.21Å; D142-L145 PolarHBondContact O-N 3.24Å; D142-L145 WeakPolarHBondContact OD2-CB 3.34Å; D142-L145 PolarHBondContact OD2-N 3.38Å; D142-W146 VanDerWaalsContact O-CD1 3.23Å; D142-W146 PolarHBondContact O-N 2.91Å
143	N	83.2	Confident	84.2	Confident	41 Å²	41	57.4 Å²	57.4	22%	0.219	31%	0.309	C	S	.	.	H	α-helix	trans	-72.8	-27.6	-172.1	-152.4	36.1	0	0	0	112.4	D141 H147 V253 W255	D141-N143 PolarHBondContact O-N 3.15Å; N143-H147 WeakPolarHBondContact O-CB 3.48Å; N143-H147 PolarHBondContact O-N 3.39Å; N143-V253 PolarHBondContact ND2-O 3.26Å; N143-V253 PolarHBondContact OD1-O 3.35Å; N143-W255 PolarHBondContact OD1-N 3.34Å; N143-W255 VanDerWaalsContact OD1-N 3.16Å
144	L	82.1	Confident	83.7	Confident	116 Å²	116	57 Å²	57	61%	0.607	31%	0.312	S	S	*	.	H	α-helix	trans	-75.1	-37.4	178.6	-66.5	174.3	0	0	0	112.1	D142 H147 R148	D142-L144 VanDerWaalsContact C-N 3.34Å; D142-L144 PolarHBondContact O-N 2.89Å; D142-L144 WeakPolarHBondContact OD2-CB 3.46Å; D142-L144 PolarHBondContact OD2-N 3.26Å; L144-H147 PolarHBondContact O-N 3.46Å; L144-R148 WeakPolarHBondContact O-CG 3.5Å; L144-R148 PolarHBondContact O-N 3.11Å
145	L	85.9	Confident	83.1	Confident	7 Å²	7	48.9 Å²	48.9	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-56.4	-52.7	169.4	176.1	64.1	0	0	0	110.2	L115 L118 Q119 I126 D142 H147 R148 L149	L115-L145 HydrophobicContact CD2-CB 4.26Å; L115-L145 HydrophobicContact CD2-CD2 4.29Å; L118-L145 HydrophobicContact CB-CD1 4.29Å; L118-L145 HydrophobicContact CB-CD2 3.94Å; L118-L145 HydrophobicContact CD1-CD2 3.93Å; Q119-L145 HydrophobicContact CB-CD1 4.19Å; I126-L145 HydrophobicContact CD1-CD1 4.45Å; I126-L145 HydrophobicContact CD1-CD2 4.46Å; I126-L145 HydrophobicContact CG2-CD2 4.33Å; D142-L145 HydrophobicContact CB-CB 4.21Å; D142-L145 PolarHBondContact O-N 3.24Å; D142-L145 WeakPolarHBondContact OD2-CB 3.34Å; D142-L145 PolarHBondContact OD2-N 3.38Å; L145-H147 PolarHBondContact O-N 3.26Å; L145-R148 PolarHBondContact O-N 3.47Å; L145-L149 HydrophobicContact CD1-CD1 4.34Å; L145-L149 HydrophobicContact CG-CD1 4.22Å; L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.03Å
146	W	86.7	Confident	82.1	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-33.6	179.5	-73	100.7	0	0	0	113.6	P123 I126 F127 C140 D142 L149 C150 W255 K256 Y259	P123-W146 HydrophobicContact CB-CH2 4.45Å; P123-W146 HydrophobicContact CB-CZ3 4.28Å; I126-W146 HydrophobicContact CB-CZ2 4.47Å; I126-W146 HydrophobicContact CG2-CH2 4.33Å; I126-W146 HydrophobicContact CG2-CZ2 3.72Å; F127-W146 AromaticContact CD1-CH2 3.95Å; F127-W146 HydrophobicContact CD1-CH2 3.95Å; F127-W146 HydrophobicContact CD1-CZ2 4.09Å; F127-W146 HydrophobicContact CD2-CH2 4.34Å; F127-W146 AromaticContact CE1-CH2 3.33Å; F127-W146 HydrophobicContact CE1-CH2 3.33Å; F127-W146 AromaticContact CE1-CZ2 3.61Å; F127-W146 HydrophobicContact CE1-CZ2 3.61Å; F127-W146 HydrophobicContact CE1-CZ3 4.2Å; F127-W146 AromaticContact CE2-CH2 3.8Å; F127-W146 HydrophobicContact CE2-CH2 3.8Å; F127-W146 HydrophobicContact CE2-CZ3 4.3Å; F127-W146 HydrophobicContact CG-CH2 4.4Å; F127-W146 AromaticContact CZ-CH2 3.24Å; F127-W146 HydrophobicContact CZ-CH2 3.24Å; F127-W146 HydrophobicContact CZ-CZ2 4.01Å; F127-W146 AromaticContact CZ-CZ3 3.73Å; F127-W146 HydrophobicContact CZ-CZ3 3.73Å; C140-W146 PolarHBondContact O-NE1 3.33Å; D142-W146 VanDerWaalsContact O-CD1 3.23Å; D142-W146 PolarHBondContact O-N 2.91Å; W146-L149 HydrophobicContact CD2-CD1 4.25Å; W146-L149 HydrophobicContact CE3-CD1 3.92Å; W146-L149 HydrophobicContact CH2-CD1 4.49Å; W146-L149 HydrophobicContact CZ3-CD1 4.05Å; W146-L149 PolarHBondContact O-N 3.3Å; W146-C150 WeakPolarHBondContact O-CB 3.1Å; W146-C150 PolarHBondContact O-N 3.24Å; W146-C150 PolarHBondContact O-SG 3.47Å; W146-W255 HydrophobicContact CB-CB 3.65Å; W146-K256 HydrophobicContact CB-CB 4.2Å; W146-K256 HydrophobicContact CD2-CB 3.79Å; W146-K256 HydrophobicContact CD2-CG 3.86Å; W146-K256 HydrophobicContact CE3-CG 4.47Å; W146-K256 HydrophobicContact CG-CB 3.57Å; W146-K256 HydrophobicContact CG-CG 4.13Å; W146-K256 HydrophobicContact CZ2-CD 4.32Å; W146-K256 HydrophobicContact CZ2-CG 4.06Å; W146-Y259 HydrophobicContact CE3-CD1 4.36Å; W146-Y259 HydrophobicContact CE3-CD2 4.34Å; W146-Y259 AromaticContact CE3-CG 3.87Å; W146-Y259 HydrophobicContact CE3-CG 3.87Å; W146-Y259 AromaticContact CZ3-CD1 3.7Å; W146-Y259 HydrophobicContact CZ3-CD1 3.7Å; W146-Y259 HydrophobicContact CZ3-CD2 4.33Å; W146-Y259 HydrophobicContact CZ3-CE1 4.43Å; W146-Y259 AromaticContact CZ3-CG 3.68Å; W146-Y259 HydrophobicContact CZ3-CG 3.68Å
147	H	82.6	Confident	80.3	Confident	51 Å²	51	50.8 Å²	50.8	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-50.2	170.3	171.3	-117	0	0	0	111.4	N143 L144 L145 L149 C150 V151 W255	N143-H147 WeakPolarHBondContact O-CB 3.48Å; N143-H147 PolarHBondContact O-N 3.39Å; L144-H147 PolarHBondContact O-N 3.46Å; L145-H147 PolarHBondContact O-N 3.26Å; H147-L149 VanDerWaalsContact C-N 3.34Å; H147-L149 PolarHBondContact O-N 3.15Å; H147-C150 WeakPolarHBondContact O-CB 3.31Å; H147-C150 PolarHBondContact O-N 2.95Å; H147-C150 VanDerWaalsContact O-N 3.16Å; H147-V151 WeakPolarHBondContact O-CG2 3.32Å; H147-V151 PolarHBondContact O-N 3.28Å; H147-W255 HydrophobicContact CB-CB 4.5Å; H147-W255 HydrophobicContact CB-CD2 3.93Å; H147-W255 HydrophobicContact CB-CG 3.85Å; H147-W255 AromaticContact CD2-CD2 3.88Å; H147-W255 AromaticContact CD2-CE2 3.56Å; H147-W255 AromaticContact CD2-CH2 3.59Å; H147-W255 AromaticContact CD2-CZ2 3.45Å; H147-W255 VanDerWaalsContact CD2-CZ2 3.45Å; H147-W255 WeakPolarHBondContact CD2-CZ2 3.43Å; H147-W255 AromaticContact CD2-CZ3 3.83Å
148	R	81.5	Confident	78.4	Confident	135 Å²	135	49 Å²	49	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-59.8	-42.5	177.7	-71.9	177.6	-176.8	-177.3	5.3	112.2	Q119 L144 L145 C150 V151 G152	Q119-R148 VanDerWaalsContact OE1-NH1 3.1Å; L144-R148 WeakPolarHBondContact O-CG 3.5Å; L144-R148 PolarHBondContact O-N 3.11Å; L145-R148 PolarHBondContact O-N 3.47Å; R148-C150 VanDerWaalsContact C-N 3.35Å; R148-V151 PolarHBondContact O-N 3.42Å; R148-G152 PolarHBondContact O-N 2.8Å
149	L	85.7	Confident	76.5	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.136	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-37.4	176.3	-65.4	171.6	0	0	0	112.1	P123 I126 L145 W146 H147 A153 Y259	P123-L149 HydrophobicContact CG-CD1 4.31Å; P123-L149 HydrophobicContact CG-CD2 4.09Å; I126-L149 HydrophobicContact CD1-CD1 3.56Å; I126-L149 HydrophobicContact CD1-CD2 4.48Å; L145-L149 HydrophobicContact CD1-CD1 4.34Å; L145-L149 HydrophobicContact CG-CD1 4.22Å; L145-L149 WeakPolarHBondContact O-CG 3.42Å; L145-L149 PolarHBondContact O-N 3.03Å; W146-L149 HydrophobicContact CD2-CD1 4.25Å; W146-L149 HydrophobicContact CE3-CD1 3.92Å; W146-L149 HydrophobicContact CH2-CD1 4.49Å; W146-L149 HydrophobicContact CZ3-CD1 4.05Å; W146-L149 PolarHBondContact O-N 3.3Å; H147-L149 VanDerWaalsContact C-N 3.34Å; H147-L149 PolarHBondContact O-N 3.15Å; L149-A153 VanDerWaalsContact O-CB 3.3Å; L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 2.96Å; L149-Y259 HydrophobicContact CB-CD2 4.33Å; L149-Y259 HydrophobicContact CB-CE2 4.33Å
150	C	82.6	Confident	74.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-44.8	174.6	-70.1	0	0	0	0	112.2	W146 H147 R148 A153 G154 L155 W255	W146-C150 WeakPolarHBondContact O-CB 3.1Å; W146-C150 PolarHBondContact O-N 3.24Å; W146-C150 PolarHBondContact O-SG 3.47Å; H147-C150 WeakPolarHBondContact O-CB 3.31Å; H147-C150 PolarHBondContact O-N 2.95Å; H147-C150 VanDerWaalsContact O-N 3.16Å; R148-C150 VanDerWaalsContact C-N 3.35Å; C150-A153 PolarHBondContact O-N 2.78Å; C150-G154 PolarHBondContact O-N 3.47Å; C150-L155 HydrophobicContact CB-CB 4.07Å; C150-L155 HydrophobicContact CB-CD1 4.2Å; C150-L155 WeakPolarHBondContact O-CB 3.18Å; C150-L155 PolarHBondContact O-N 3.3Å; C150-W255 HydrophobicContact CB-CE3 3.7Å; C150-W255 HydrophobicContact CB-CZ3 4.13Å; C150-W255 PolarHBondContact SG-O 3.24Å
151	V	78.2	Confident	72	Confident	69 Å²	69	49.8 Å²	49.8	42%	0.418	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-46.9	175.2	173.8	0	0	0	0	110.5	H147 R148 A153 G154 F156	H147-V151 WeakPolarHBondContact O-CG2 3.32Å; H147-V151 PolarHBondContact O-N 3.28Å; R148-V151 PolarHBondContact O-N 3.42Å; V151-A153 VanDerWaalsContact C-N 3.3Å; V151-A153 PolarHBondContact O-N 3.42Å; V151-G154 PolarHBondContact O-N 3.31Å; V151-F156 HydrophobicContact CG2-CB 4.5Å; V151-F156 HydrophobicContact CG2-CD2 3.87Å
152	G	75.7	Confident	69.6	Low	71 Å²	71	50.4 Å²	50.4	73%	0.732	28%	0.28	S	S	*	.	H	α-helix	trans	-63.8	-29.1	177.6	0	0	0	0	0	114.6	R148 G154	R148-G152 PolarHBondContact O-N 2.8Å; G152-G154 VanDerWaalsContact C-N 3.28Å
153	A	76.5	Confident	66.9	Low	29 Å²	29	52.7 Å²	52.7	24%	0.24	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	2.9	172.1	0	0	0	0	0	113.8	L149 C150 V151 L155 Y259 R697	L149-A153 VanDerWaalsContact O-CB 3.3Å; L149-A153 WeakPolarHBondContact O-CB 3.24Å; L149-A153 PolarHBondContact O-N 2.96Å; C150-A153 PolarHBondContact O-N 2.78Å; V151-A153 VanDerWaalsContact C-N 3.3Å; V151-A153 PolarHBondContact O-N 3.42Å; A153-L155 VanDerWaalsContact C-N 3.28Å; A153-L155 HydrophobicContact CB-CD1 4.32Å; A153-L155 HydrophobicContact CB-CG 4.23Å; A153-L155 PolarHBondContact O-N 3.28Å; A153-Y259 HydrophobicContact CB-CE2 3.86Å; A153-R697 WeakPolarHBondContact O-CD 3.46Å
154	G	73	Confident	64.4	Low	31 Å²	31	52.3 Å²	52.3	32%	0.32	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	19.9	-178.1	0	0	0	0	0	114.3	C150 V151 G152 F156 R697	C150-G154 PolarHBondContact O-N 3.47Å; V151-G154 PolarHBondContact O-N 3.31Å; G152-G154 VanDerWaalsContact C-N 3.28Å; G154-F156 PolarHBondContact O-N 3.39Å; G154-R697 PolarHBondContact O-NH1 2.88Å; G154-R697 VanDerWaalsContact O-NH1 3.08Å
155	L	73.7	Confident	62	Low	3 Å²	3	51.3 Å²	51.3	2%	0.016	29%	0.293	C	S	.	.			trans	-73.6	-13.8	179.3	-67.8	171.5	0	0	0	113.6	C150 A153 T158 L159 Y259 D262 R697	C150-L155 HydrophobicContact CB-CB 4.07Å; C150-L155 HydrophobicContact CB-CD1 4.2Å; C150-L155 WeakPolarHBondContact O-CB 3.18Å; C150-L155 PolarHBondContact O-N 3.3Å; A153-L155 VanDerWaalsContact C-N 3.28Å; A153-L155 HydrophobicContact CB-CD1 4.32Å; A153-L155 HydrophobicContact CB-CG 4.23Å; A153-L155 PolarHBondContact O-N 3.28Å; L155-T158 VanDerWaalsContact CA-OG1 3.32Å; L155-T158 WeakPolarHBondContact CA-OG1 3.39Å; L155-T158 PolarHBondContact O-N 3.14Å; L155-T158 PolarHBondContact O-OG1 2.76Å; L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 3.25Å; L155-L159 VanDerWaalsContact O-N 3.1Å; L155-Y259 HydrophobicContact CD1-CD2 3.84Å; L155-Y259 HydrophobicContact CD1-CE2 4.3Å; L155-Y259 HydrophobicContact CD1-CG 4.43Å; L155-D262 HydrophobicContact CD1-CB 4.15Å; L155-D262 HydrophobicContact CD2-CB 3.48Å; L155-D262 VanDerWaalsContact CD2-CB 3.48Å; L155-R697 VanDerWaalsContact CD2-NH2 3.31Å
156	F	63.6	Low	59.2	Low	58 Å²	58	57 Å²	57	25%	0.254	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-46.9	177	-155.6	-91.6	0	0	0	111.5	V151 G154 T158 L159 F160 W255	V151-F156 HydrophobicContact CG2-CB 4.5Å; V151-F156 HydrophobicContact CG2-CD2 3.87Å; G154-F156 PolarHBondContact O-N 3.39Å; F156-T158 PolarHBondContact O-N 3.22Å; F156-L159 PolarHBondContact O-N 3.02Å; F156-F160 AromaticContact CD1-CD2 3.65Å; F156-F160 HydrophobicContact CD1-CD2 3.65Å; F156-F160 HydrophobicContact CD1-CE2 4.04Å; F156-F160 HydrophobicContact CD2-CD2 4.2Å; F156-F160 AromaticContact CD2-CE2 3.86Å; F156-F160 HydrophobicContact CD2-CE2 3.86Å; F156-F160 AromaticContact CE1-CD2 3.49Å; F156-F160 HydrophobicContact CE1-CD2 3.49Å; F156-F160 VanDerWaalsContact CE1-CD2 3.49Å; F156-F160 AromaticContact CE1-CE2 3.62Å; F156-F160 HydrophobicContact CE1-CE2 3.62Å; F156-F160 HydrophobicContact CE1-CG 4.24Å; F156-F160 HydrophobicContact CE1-CZ 4.44Å; F156-F160 HydrophobicContact CE2-CD2 4.08Å; F156-F160 AromaticContact CE2-CE2 3.43Å; F156-F160 HydrophobicContact CE2-CE2 3.43Å; F156-F160 VanDerWaalsContact CE2-CE2 3.43Å; F156-F160 HydrophobicContact CE2-CZ 4.22Å; F156-F160 HydrophobicContact CG-CD2 4.02Å; F156-F160 HydrophobicContact CG-CE2 4.15Å; F156-F160 AromaticContact CZ-CD2 3.72Å; F156-F160 HydrophobicContact CZ-CD2 3.72Å; F156-F160 AromaticContact CZ-CE2 3.3Å; F156-F160 HydrophobicContact CZ-CE2 3.3Å; F156-F160 AromaticContact CZ-CZ 3.92Å; F156-F160 HydrophobicContact CZ-CZ 3.92Å; F156-F160 WeakPolarHBondContact O-CD2 3.24Å; F156-F160 PolarHBondContact O-N 3.16Å; F156-F160 VanDerWaalsContact O-N 3.1Å; F156-W255 HydrophobicContact CD2-CH2 4.37Å; F156-W255 HydrophobicContact CE2-CH2 4.4Å
157	N	52.4	Low	56.4	Low	78 Å²	78	64.8 Å²	64.8	42%	0.417	36%	0.358	S	S	.	.	H	α-helix	trans	-67.1	-19.8	-179.9	-69.9	-8.9	0	0	0	113.7
158	T	48.4	Very low	54	Low	57 Å²	57	64.2 Å²	64.2	35%	0.35	35%	0.354	S	S	.	.	H	α-helix	trans	-85.7	-36	175.7	46.9	0	0	0	0	112.2	L155 F156 E742	L155-T158 VanDerWaalsContact CA-OG1 3.32Å; L155-T158 WeakPolarHBondContact CA-OG1 3.39Å; L155-T158 PolarHBondContact O-N 3.14Å; L155-T158 PolarHBondContact O-OG1 2.76Å; F156-T158 PolarHBondContact O-N 3.22Å; T158-E742 HydrophobicContact CG2-CG 3.69Å
159	L	44.9	Very low	51.5	Low	29 Å²	29	62.8 Å²	62.8	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-66.7	-48.5	174.4	-79.4	172	0	0	0	113.3	L155 F156 N161 T164 W255 L258	L155-L159 WeakPolarHBondContact O-CG 3.48Å; L155-L159 PolarHBondContact O-N 3.25Å; L155-L159 VanDerWaalsContact O-N 3.1Å; F156-L159 PolarHBondContact O-N 3.02Å; L159-N161 PolarHBondContact O-N 2.93Å; L159-T164 PolarHBondContact O-OG1 3.42Å; L159-W255 HydrophobicContact CD1-CE3 4.14Å; L159-W255 HydrophobicContact CD1-CH2 3.7Å; L159-W255 HydrophobicContact CD1-CZ3 3.26Å; L159-L258 HydrophobicContact CD1-CD2 3.46Å; L159-L258 VanDerWaalsContact CD1-CD2 3.46Å; L159-L258 HydrophobicContact CD2-CD1 3.59Å; L159-L258 HydrophobicContact CD2-CD2 3.5Å; L159-L258 HydrophobicContact CD2-CG 4.16Å; L159-L258 HydrophobicContact CG-CD1 4.47Å; L159-L258 HydrophobicContact CG-CD2 3.58Å
160	F	43.9	Very low	48.8	Very low	58 Å²	58	63.8 Å²	63.8	25%	0.254	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	15.1	-172.8	-72.7	-83.6	0	0	0	113.1	F156 Y168	F156-F160 AromaticContact CD1-CD2 3.65Å; F156-F160 HydrophobicContact CD1-CD2 3.65Å; F156-F160 HydrophobicContact CD1-CE2 4.04Å; F156-F160 HydrophobicContact CD2-CD2 4.2Å; F156-F160 AromaticContact CD2-CE2 3.86Å; F156-F160 HydrophobicContact CD2-CE2 3.86Å; F156-F160 AromaticContact CE1-CD2 3.49Å; F156-F160 HydrophobicContact CE1-CD2 3.49Å; F156-F160 VanDerWaalsContact CE1-CD2 3.49Å; F156-F160 AromaticContact CE1-CE2 3.62Å; F156-F160 HydrophobicContact CE1-CE2 3.62Å; F156-F160 HydrophobicContact CE1-CG 4.24Å; F156-F160 HydrophobicContact CE1-CZ 4.44Å; F156-F160 HydrophobicContact CE2-CD2 4.08Å; F156-F160 AromaticContact CE2-CE2 3.43Å; F156-F160 HydrophobicContact CE2-CE2 3.43Å; F156-F160 VanDerWaalsContact CE2-CE2 3.43Å; F156-F160 HydrophobicContact CE2-CZ 4.22Å; F156-F160 HydrophobicContact CG-CD2 4.02Å; F156-F160 HydrophobicContact CG-CE2 4.15Å; F156-F160 AromaticContact CZ-CD2 3.72Å; F156-F160 HydrophobicContact CZ-CD2 3.72Å; F156-F160 AromaticContact CZ-CE2 3.3Å; F156-F160 HydrophobicContact CZ-CE2 3.3Å; F156-F160 AromaticContact CZ-CZ 3.92Å; F156-F160 HydrophobicContact CZ-CZ 3.92Å; F156-F160 WeakPolarHBondContact O-CD2 3.24Å; F156-F160 PolarHBondContact O-N 3.16Å; F156-F160 VanDerWaalsContact O-N 3.1Å; F160-Y168 AromaticContact CE1-CD2 3.88Å; F160-Y168 HydrophobicContact CE1-CD2 3.88Å; F160-Y168 AromaticContact CE1-CE2 3.87Å; F160-Y168 HydrophobicContact CE1-CE2 3.87Å; F160-Y168 HydrophobicContact CZ-CE2 4.2Å
161	N	37.1	Very low	46.4	Very low	84 Å²	84	65 Å²	65	45%	0.449	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	99.9	169.9	-128	-62.2	0	0	0	111.4	L159 S163	L159-N161 PolarHBondContact O-N 2.93Å; N161-S163 PolarHBondContact O-N 3.41Å
162	K	37.6	Very low	44.2	Very low	70 Å²	70	67.9 Å²	67.9	30%	0.304	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-50.3	162.1	-66.5	-172.8	165.2	-154.9	0	120	Y294 E295	K162-Y294 PolarHBondContact NZ-OH 2.85Å; K162-Y294 VanDerWaalsContact NZ-OH 3.1Å; K162-E295 HydrophobicContact CD-CG 3.63Å; K162-E295 IonicContact NZ-OE1 3.53Å; K162-E295 PolarHBondContact NZ-OE1 2.97Å
163	S	30.5	Very low	42.2	Very low	93 Å²	93	68.9 Å²	68.9	65%	0.65	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-40.5	-174.7	57.8	0	0	0	0	112.4	N161	N161-S163 PolarHBondContact O-N 3.41Å
164	T	29.1	Very low	40.1	Very low	33 Å²	33	71.4 Å²	71.4	20%	0.202	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-15.4	-175.9	-24.4	0	0	0	0	114.3	L159 N166 F167 Y168	L159-T164 PolarHBondContact O-OG1 3.42Å; T164-N166 PolarHBondContact O-N 3.46Å; T164-F167 HydrophobicContact CG2-CB 4.34Å; T164-F167 WeakPolarHBondContact O-CB 3.29Å; T164-F167 PolarHBondContact O-N 2.89Å; T164-Y168 HydrophobicContact CG2-CD2 3.98Å; T164-Y168 HydrophobicContact CG2-CE2 3.5Å; T164-Y168 VanDerWaalsContact CG2-CE2 3.5Å; T164-Y168 WeakPolarHBondContact O-CD2 3.43Å; T164-Y168 PolarHBondContact O-N 3.02Å
165	I	31.8	Very low	38.2	Very low	94 Å²	94	73.5 Å²	73.5	48%	0.482	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.7	178	-66.4	176.8	0	0	0	111	F167 Y168 S169	I165-F167 VanDerWaalsContact C-N 3.29Å; I165-F167 PolarHBondContact O-N 3.38Å; I165-Y168 PolarHBondContact O-N 3.27Å; I165-S169 PolarHBondContact O-N 2.96Å
166	N	28.1	Very low	36.4	Very low	127 Å²	127	76.4 Å²	76.4	68%	0.679	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.5	175.5	-71.5	-26.2	0	0	0	112.8	T164 S169	T164-N166 PolarHBondContact O-N 3.46Å; N166-S169 WeakPolarHBondContact O-CB 3.41Å; N166-S169 PolarHBondContact O-OG 3.1Å
167	F	28.3	Very low	34.9	Very low	165 Å²	165	78 Å²	78	72%	0.724	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-35.5	174.9	-99.9	-91.3	0	0	0	112.8	T164 I165 S169	T164-F167 HydrophobicContact CG2-CB 4.34Å; T164-F167 WeakPolarHBondContact O-CB 3.29Å; T164-F167 PolarHBondContact O-N 2.89Å; I165-F167 VanDerWaalsContact C-N 3.29Å; I165-F167 PolarHBondContact O-N 3.38Å; F167-S169 VanDerWaalsContact C-N 3.34Å
168	Y	31.4	Very low	33.8	Very low	39 Å²	39	79.4 Å²	79.4	15%	0.153	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.1	-179.7	-66.9	-62.6	0	0	0	114.8	F160 T164 I165 G170 T171 V253	F160-Y168 AromaticContact CE1-CD2 3.88Å; F160-Y168 HydrophobicContact CE1-CD2 3.88Å; F160-Y168 AromaticContact CE1-CE2 3.87Å; F160-Y168 HydrophobicContact CE1-CE2 3.87Å; F160-Y168 HydrophobicContact CZ-CE2 4.2Å; T164-Y168 HydrophobicContact CG2-CD2 3.98Å; T164-Y168 HydrophobicContact CG2-CE2 3.5Å; T164-Y168 VanDerWaalsContact CG2-CE2 3.5Å; T164-Y168 WeakPolarHBondContact O-CD2 3.43Å; T164-Y168 PolarHBondContact O-N 3.02Å; I165-Y168 PolarHBondContact O-N 3.27Å; Y168-G170 PolarHBondContact O-N 3.34Å; Y168-T171 PolarHBondContact O-N 2.83Å; Y168-T171 VanDerWaalsContact O-N 3.12Å; Y168-T171 PolarHBondContact O-OG1 3.03Å; Y168-V253 WeakPolarHBondContact OH-CG2 3.45Å
169	S	28.9	Very low	33	Very low	105 Å²	105	82.2 Å²	82.2	73%	0.734	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-12.6	179.3	59.5	0	0	0	0	115.3	I165 N166 F167	I165-S169 PolarHBondContact O-N 2.96Å; N166-S169 WeakPolarHBondContact O-CB 3.41Å; N166-S169 PolarHBondContact O-OG 3.1Å; F167-S169 VanDerWaalsContact C-N 3.34Å
170	G	29.3	Very low	32.2	Very low	46 Å²	46	87.4 Å²	87.4	47%	0.474	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	17.3	177.7	0	0	0	0	0	115.8	Y168 R249	Y168-G170 PolarHBondContact O-N 3.34Å; G170-R249 PolarHBondContact O-NH1 3.11Å; G170-R249 PolarHBondContact O-NH2 3.33Å
171	T	31.5	Very low	31.4	Very low	25 Å²	25	93.9 Å²	93.9	15%	0.153	52%	0.517	C	S	.	.	S	Bend	trans	-117.7	136.6	176.5	24.7	0	0	0	0	111	Y168 L173 R249	Y168-T171 PolarHBondContact O-N 2.83Å; Y168-T171 VanDerWaalsContact O-N 3.12Å; Y168-T171 PolarHBondContact O-OG1 3.03Å; T171-L173 PolarHBondContact O-N 3.28Å; T171-R249 HydrophobicContact CG2-CB 4.47Å; T171-R249 HydrophobicContact CG2-CG 4.29Å
172	Q	33.4	Very low	31.2	Very low	130 Å²	130	95 Å²	95	61%	0.607	53%	0.529	S	S	*	.			trans	-64.1	117.8	171.2	-76.3	-177.4	-16.3	0	0	110	N174 C175	Q172-N174 PolarHBondContact O-N 3.14Å; Q172-C175 PolarHBondContact O-N 3.19Å
173	L	32.6	Very low	30.9	Very low	93 Å²	93	96.7 Å²	96.7	49%	0.487	55%	0.546	S	S	.	.	G	3₁₀ helix	trans	-55.2	-26.4	-176.2	-131.2	75.8	0	0	0	113.5	T171 C175 L176 I194	T171-L173 PolarHBondContact O-N 3.28Å; L173-C175 PolarHBondContact O-N 3.21Å; L173-L176 PolarHBondContact O-N 3.32Å; L173-I194 HydrophobicContact CD2-CD1 4.41Å; L173-I194 HydrophobicContact CD2-CG1 4.38Å
174	N	32.5	Very low	30.7	Very low	82 Å²	82	99.3 Å²	99.3	44%	0.439	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-64.1	-20.6	-176.7	-64.5	-10.1	0	0	0	114.2	Q172 L176	Q172-N174 PolarHBondContact O-N 3.14Å; N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.17Å
175	C	33.1	Very low	30.8	Very low	75 Å²	75	101.4 Å²	101.4	51%	0.507	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-77.5	-13.2	-179.3	-73.2	0	0	0	0	114.9	Q172 L173	Q172-C175 PolarHBondContact O-N 3.19Å; L173-C175 PolarHBondContact O-N 3.21Å
176	L	35.6	Very low	30.9	Very low	64 Å²	64	99.8 Å²	99.8	34%	0.335	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-92.1	-2.7	-170.1	-87.9	157.4	0	0	0	115.4	L173 N174 L250	L173-L176 PolarHBondContact O-N 3.32Å; N174-L176 VanDerWaalsContact C-N 3.35Å; N174-L176 PolarHBondContact O-N 3.17Å; L176-L250 HydrophobicContact CD2-CD1 4.19Å; L176-L250 HydrophobicContact CD2-CD2 3.9Å; L176-L250 HydrophobicContact CD2-CG 4.21Å
177	L	32.8	Very low	31	Very low	91 Å²	91	96.7 Å²	96.7	48%	0.476	55%	0.548	S	S	.	.	S	Bend	trans	-119.1	3	-168.2	-79.6	151.1	0	0	0	115.7	V179 I194	L177-V179 VanDerWaalsContact C-N 3.32Å; L177-V179 PolarHBondContact O-N 3.32Å; L177-I194 HydrophobicContact CD1-CD1 3.04Å
178	C	28.4	Very low	31	Very low	108 Å²	108	93.3 Å²	93.3	73%	0.73	54%	0.538	S	S	*	.			trans	-86	12.5	-172.6	-59.7	0	0	0	0	115.2
179	V	32.1	Very low	31.1	Very low	116 Å²	116	94.2 Å²	94.2	70%	0.703	54%	0.543	S	S	*	.	S	Bend	trans	-127.7	90.4	-175.3	-167.2	0	0	0	0	112.6	L177	L177-V179 VanDerWaalsContact C-N 3.32Å; L177-V179 PolarHBondContact O-N 3.32Å
180	N	28.5	Very low	31.4	Very low	138 Å²	138	91.9 Å²	91.9	74%	0.738	52%	0.524	S	S	*	.			trans	72.9	118.2	158.7	-57.7	-21.4	0	0	0	120
181	K	26.6	Very low	31.6	Very low	193 Å²	193	94.3 Å²	94.3	84%	0.839	52%	0.522	S	S	*	.			trans	-61.6	162.4	155	-63.6	174.4	179.8	173.6	0	109.9
182	P	32.9	Very low	31.8	Very low	108 Å²	108	95.1 Å²	95.1	70%	0.701	53%	0.529	S	S	*	.			cis	-140.5	154.8	18.5	40.1	-21.6	0	0	0	118.1
183	T	31.4	Very low	31.9	Very low	106 Å²	106	93.2 Å²	93.2	65%	0.65	52%	0.522	S	S	*	.				-179.3	136.5	125.7	25.7	0	0	0	0	109.1	S185	T183-S185 VanDerWaalsContact C-N 3.32Å; T183-S185 PolarHBondContact O-N 3.23Å; T183-S185 VanDerWaalsContact O-N 3.11Å
184	N	27.5	Very low	32.1	Very low	147 Å²	147	90 Å²	90	79%	0.786	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	15.4	-156.1	-76.9	-11.3	0	0	0	117	N188	N184-N188 PolarHBondContact O-ND2 3.48Å
185	S	31.2	Very low	32.2	Very low	77 Å²	77	90.4 Å²	90.4	54%	0.538	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-61.2	175.6	50.2	0	0	0	0	112.5	T183 C187	T183-S185 VanDerWaalsContact C-N 3.32Å; T183-S185 PolarHBondContact O-N 3.23Å; T183-S185 VanDerWaalsContact O-N 3.11Å; S185-C187 PolarHBondContact O-N 2.92Å
186	L	32.9	Very low	32.5	Very low	61 Å²	61	91.2 Å²	91.2	32%	0.319	50%	0.504	S	S	.	.	H	α-helix	trans	-68.2	-34.3	-175.5	-92.7	69.5	0	0	0	113.6	N188 E189	L186-N188 PolarHBondContact O-N 3.42Å; L186-E189 PolarHBondContact O-N 2.91Å
187	C	30.1	Very low	32.7	Very low	62 Å²	62	93.6 Å²	93.6	42%	0.419	51%	0.512	S	S	.	.	H	α-helix	trans	-65.1	-27.2	-175.4	-166.5	0	0	0	0	112.4	S185 T190 K191	S185-C187 PolarHBondContact O-N 2.92Å; C187-T190 PolarHBondContact O-OG1 3.1Å; C187-K191 WeakPolarHBondContact O-CB 3.18Å; C187-K191 PolarHBondContact O-N 3.12Å
188	N	29.1	Very low	32.9	Very low	94 Å²	94	93.2 Å²	93.2	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-72.8	-27.4	177.9	-70.3	-25.9	0	0	0	113	N184 L186 S192	N184-N188 PolarHBondContact O-ND2 3.48Å; L186-N188 PolarHBondContact O-N 3.42Å; N188-S192 VanDerWaalsContact O-CB 3.3Å; N188-S192 WeakPolarHBondContact O-CB 3.43Å; N188-S192 PolarHBondContact O-N 3.16Å; N188-S192 PolarHBondContact O-OG 3.25Å
189	E	33.4	Very low	33.5	Very low	58 Å²	58	92.6 Å²	92.6	27%	0.271	50%	0.498	S	S	.	.	H	α-helix	trans	-70	-48.1	177.5	-61.6	-165.2	141	0	0	110.5	L186 S192 L193 S396	L186-E189 PolarHBondContact O-N 2.91Å; E189-S192 PolarHBondContact O-OG 3.29Å; E189-S192 VanDerWaalsContact O-OG 3.14Å; E189-L193 WeakPolarHBondContact O-CD1 3.31Å; E189-L193 WeakPolarHBondContact O-CG 3.48Å; E189-L193 PolarHBondContact O-N 3.35Å; E189-S396 WeakPolarHBondContact OE1-CA 3.47Å; E189-S396 WeakPolarHBondContact OE1-CB 3.36Å; E189-S396 PolarHBondContact OE1-N 3.35Å
190	T	35.6	Very low	33.8	Very low	55 Å²	55	93.1 Å²	93.1	34%	0.337	50%	0.497	S	S	.	.	H	α-helix	trans	-68.8	-35	172.7	35.5	0	0	0	0	113.4	C187 I194	C187-T190 PolarHBondContact O-OG1 3.1Å; T190-I194 WeakPolarHBondContact O-CG1 3.38Å; T190-I194 PolarHBondContact O-N 3.19Å
191	K	32.2	Very low	34.2	Very low	97 Å²	97	92.2 Å²	92.2	42%	0.422	49%	0.492	S	S	.	.	H	α-helix	trans	-70.2	-41.3	178.9	-172.4	171.6	178	-73.6	0	112.4	C187 I194 E195	C187-K191 WeakPolarHBondContact O-CB 3.18Å; C187-K191 PolarHBondContact O-N 3.12Å; K191-I194 PolarHBondContact O-N 3.28Å; K191-I194 VanDerWaalsContact O-N 3.12Å; K191-E195 WeakPolarHBondContact CE-OE1 3.49Å; K191-E195 HydrophobicContact CG-CG 4.23Å; K191-E195 IonicContact NZ-OE1 3.18Å; K191-E195 PolarHBondContact NZ-OE1 2.96Å; K191-E195 IonicContact NZ-OE2 3.36Å; K191-E195 PolarHBondContact NZ-OE2 3.35Å; K191-E195 WeakPolarHBondContact O-CB 3.49Å; K191-E195 WeakPolarHBondContact O-CG 3.44Å; K191-E195 PolarHBondContact O-N 3.34Å
192	S	35.2	Very low	34.6	Very low	43 Å²	43	87.2 Å²	87.2	30%	0.301	48%	0.481	S	S	.	.	H	α-helix	trans	-66.9	-35.9	175.1	63	0	0	0	0	112.9	N188 E189 I194 N196	N188-S192 VanDerWaalsContact O-CB 3.3Å; N188-S192 WeakPolarHBondContact O-CB 3.43Å; N188-S192 PolarHBondContact O-N 3.16Å; N188-S192 PolarHBondContact O-OG 3.25Å; E189-S192 PolarHBondContact O-OG 3.29Å; E189-S192 VanDerWaalsContact O-OG 3.14Å; S192-I194 PolarHBondContact O-N 3Å; S192-N196 WeakPolarHBondContact O-CB 3.36Å; S192-N196 PolarHBondContact O-N 3.08Å; S192-N196 VanDerWaalsContact O-N 3.17Å; S192-N196 PolarHBondContact O-ND2 2.75Å
193	L	36.5	Very low	34.7	Very low	89 Å²	89	87.8 Å²	87.8	47%	0.466	48%	0.477	S	S	.	.	H	α-helix	trans	-58.5	-29.3	171	-83.2	165.5	0	0	0	112.8	E189 F197 H394	E189-L193 WeakPolarHBondContact O-CD1 3.31Å; E189-L193 WeakPolarHBondContact O-CG 3.48Å; E189-L193 PolarHBondContact O-N 3.35Å; L193-F197 WeakPolarHBondContact O-CB 3.42Å; L193-H394 WeakPolarHBondContact CD2-NE2 3.46Å
194	I	37.5	Very low	34.7	Very low	25 Å²	25	90.1 Å²	90.1	13%	0.128	49%	0.486	C	S	.	.	H	α-helix	trans	-100.8	-33.5	-174.7	-71	168.7	0	0	0	112.6	L173 L177 T190 K191 S192 N196 F197 I198	L173-I194 HydrophobicContact CD2-CD1 4.41Å; L173-I194 HydrophobicContact CD2-CG1 4.38Å; L177-I194 HydrophobicContact CD1-CD1 3.04Å; T190-I194 WeakPolarHBondContact O-CG1 3.38Å; T190-I194 PolarHBondContact O-N 3.19Å; K191-I194 PolarHBondContact O-N 3.28Å; K191-I194 VanDerWaalsContact O-N 3.12Å; S192-I194 PolarHBondContact O-N 3Å; I194-N196 VanDerWaalsContact C-N 3.34Å; I194-F197 CarbonylContact O-C 3.47Å; I194-F197 WeakPolarHBondContact O-CA 3.48Å; I194-F197 WeakPolarHBondContact O-CB 3.08Å; I194-F197 PolarHBondContact O-N 2.61Å; I194-I198 HydrophobicContact CG2-CD1 3.77Å; I194-I198 HydrophobicContact CG2-CG1 4.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.3Å; I194-I198 PolarHBondContact O-N 3.43Å
195	E	34.4	Very low	35	Very low	91 Å²	91	89.1 Å²	89.1	43%	0.425	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-41.2	171.5	-72.9	-179.6	142.7	0	0	110.6	K191 F197 I198 I199	K191-E195 WeakPolarHBondContact CE-OE1 3.49Å; K191-E195 HydrophobicContact CG-CG 4.23Å; K191-E195 IonicContact NZ-OE1 3.18Å; K191-E195 PolarHBondContact NZ-OE1 2.96Å; K191-E195 IonicContact NZ-OE2 3.36Å; K191-E195 PolarHBondContact NZ-OE2 3.35Å; K191-E195 WeakPolarHBondContact O-CB 3.49Å; K191-E195 WeakPolarHBondContact O-CG 3.44Å; K191-E195 PolarHBondContact O-N 3.34Å; E195-F197 VanDerWaalsContact C-N 3.28Å; E195-F197 PolarHBondContact O-N 3.15Å; E195-I198 PolarHBondContact O-N 2.8Å; E195-I199 WeakPolarHBondContact O-CB 3.47Å; E195-I199 WeakPolarHBondContact O-CD1 3.28Å; E195-I199 WeakPolarHBondContact O-CG1 3.45Å; E195-I199 PolarHBondContact O-N 3.21Å
196	N	38	Very low	35	Very low	93 Å²	93	93.7 Å²	93.7	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-64.2	-31.6	170	-71.1	-34.7	0	0	0	112.7	S192 I194 N200	S192-N196 WeakPolarHBondContact O-CB 3.36Å; S192-N196 PolarHBondContact O-N 3.08Å; S192-N196 VanDerWaalsContact O-N 3.17Å; S192-N196 PolarHBondContact O-ND2 2.75Å; I194-N196 VanDerWaalsContact C-N 3.34Å; N196-N200 WeakPolarHBondContact O-CB 3.35Å; N196-N200 VanDerWaalsContact O-CG 3.24Å; N196-N200 PolarHBondContact O-N 2.7Å; N196-N200 PolarHBondContact O-ND2 3.48Å
197	F	40	Very low	35.1	Very low	114 Å²	114	97.5 Å²	97.5	50%	0.5	52%	0.524	S	S	.	.	H	α-helix	trans	-75	-31.1	177.4	-157.3	-90.5	0	0	0	112.8	L193 I194 E195 N201	L193-F197 WeakPolarHBondContact O-CB 3.42Å; I194-F197 CarbonylContact O-C 3.47Å; I194-F197 WeakPolarHBondContact O-CA 3.48Å; I194-F197 WeakPolarHBondContact O-CB 3.08Å; I194-F197 PolarHBondContact O-N 2.61Å; E195-F197 VanDerWaalsContact C-N 3.28Å; E195-F197 PolarHBondContact O-N 3.15Å; F197-N201 WeakPolarHBondContact O-CB 3.45Å; F197-N201 PolarHBondContact O-ND2 3.07Å
198	I	38	Very low	35.1	Very low	83 Å²	83	98.4 Å²	98.4	43%	0.426	54%	0.544	S	S	.	.	H	α-helix	trans	-80.6	-45.4	178.2	-68.5	168.1	0	0	0	110.5	I194 E195 N200 N201 S202	I194-I198 HydrophobicContact CG2-CD1 3.77Å; I194-I198 HydrophobicContact CG2-CG1 4.32Å; I194-I198 WeakPolarHBondContact O-CG1 3.3Å; I194-I198 PolarHBondContact O-N 3.43Å; E195-I198 PolarHBondContact O-N 2.8Å; I198-N200 VanDerWaalsContact C-N 3.32Å; I198-N200 PolarHBondContact O-N 2.86Å; I198-N201 PolarHBondContact O-N 2.93Å; I198-N201 VanDerWaalsContact O-N 3.11Å; I198-S202 PolarHBondContact O-N 2.94Å; I198-S202 VanDerWaalsContact O-N 3.1Å; I198-S202 PolarHBondContact O-OG 2.97Å
199	I	40.5	Very low	35.1	Very low	94 Å²	94	101.1 Å²	101.1	48%	0.482	56%	0.559	S	S	.	*	H	α-helix	trans	-61.4	-41	-179.4	-68.2	165.7	0	0	0	111.3	E195 N201	E195-I199 WeakPolarHBondContact O-CB 3.47Å; E195-I199 WeakPolarHBondContact O-CD1 3.28Å; E195-I199 WeakPolarHBondContact O-CG1 3.45Å; E195-I199 PolarHBondContact O-N 3.21Å; I199-N201 VanDerWaalsContact C-N 3.26Å; I199-N201 PolarHBondContact O-N 3.03Å
200	N	38.3	Very low	34.8	Very low	128 Å²	128	105.8 Å²	105.8	68%	0.684	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-12.1	179.2	-69.7	-14	0	0	0	114.2	N196 I198	N196-N200 WeakPolarHBondContact O-CB 3.35Å; N196-N200 VanDerWaalsContact O-CG 3.24Å; N196-N200 PolarHBondContact O-N 2.7Å; N196-N200 PolarHBondContact O-ND2 3.48Å; I198-N200 VanDerWaalsContact C-N 3.32Å; I198-N200 PolarHBondContact O-N 2.86Å
201	N	37.1	Very low	34.4	Very low	118 Å²	118	112.8 Å²	112.8	63%	0.631	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	-6.1	-179.8	-77	-53.3	0	0	0	113.7	F197 I198 I199	F197-N201 WeakPolarHBondContact O-CB 3.45Å; F197-N201 PolarHBondContact O-ND2 3.07Å; I198-N201 PolarHBondContact O-N 2.93Å; I198-N201 VanDerWaalsContact O-N 3.11Å; I199-N201 VanDerWaalsContact C-N 3.26Å; I199-N201 PolarHBondContact O-N 3.03Å
202	S	35.3	Very low	34	Very low	89 Å²	89	116.1 Å²	116.1	62%	0.622	63%	0.626	S	S	*	*	S	Bend	trans	-101.5	7.2	-178.6	64.2	0	0	0	0	114.7	I198	I198-S202 PolarHBondContact O-N 2.94Å; I198-S202 VanDerWaalsContact O-N 3.1Å; I198-S202 PolarHBondContact O-OG 2.97Å
203	I	35.3	Very low	33.7	Very low	120 Å²	120	120.9 Å²	120.9	62%	0.615	65%	0.653	S	S	*	*	S	Bend	trans	-118.2	85.2	179.3	-53.4	173.1	0	0	0	108.2
204	N	31.3	Very low	33.1	Very low	154 Å²	154	123.8 Å²	123.8	82%	0.824	66%	0.664	S	S	*	*			trans	161.6	67.8	152.1	-82.6	-26.4	0	0	0	112.8
205	T	33.8	Very low	32.4	Very low	126 Å²	126	131.3 Å²	131.3	77%	0.773	70%	0.699	S	S	*	*			trans	-146.6	106	151.8	34.8	0	0	0	0	109.4	D207	T205-D207 PolarHBondContact O-N 3.01Å; T205-D207 VanDerWaalsContact O-N 3.09Å
206	N	31.1	Very low	32.1	Very low	174 Å²	174	132.9 Å²	132.9	93%	0.93	72%	0.718	S	S	*	*			trans	-83.2	62.6	173.1	-79.9	-30.3	0	0	0	110.4
207	D	34.1	Very low	31.4	Very low	141 Å²	141	135 Å²	135	75%	0.754	73%	0.729	S	S	*	*			trans	-137.3	96.8	177.3	-84.7	-51.4	0	0	0	112.1	T205 D209	T205-D207 PolarHBondContact O-N 3.01Å; T205-D207 VanDerWaalsContact O-N 3.09Å; D207-D209 VanDerWaalsContact C-N 3.32Å; D207-D209 PolarHBondContact O-N 3.29Å
208	G	29.2	Very low	30.7	Very low	81 Å²	81	136 Å²	136	84%	0.835	74%	0.744	S	S	*	*			trans	68.4	-45.5	134.4	0	0	0	0	0	121.6
209	D	30	Very low	30.1	Very low	151 Å²	151	137.2 Å²	137.2	81%	0.807	76%	0.756	S	S	*	*			trans	-102.7	120	-158.3	-84.4	-34	0	0	0	114.7	D207 F211	D207-D209 VanDerWaalsContact C-N 3.32Å; D207-D209 PolarHBondContact O-N 3.29Å; D209-F211 PolarHBondContact O-N 3.43Å
210	N	27.2	Very low	29.4	Very low	155 Å²	155	141.4 Å²	141.4	83%	0.829	78%	0.776	S	S	*	*			trans	-65.6	97.5	177.3	-76.7	-70.7	0	0	0	111.6	K212	N210-K212 VanDerWaalsContact C-N 3.26Å; N210-K212 PolarHBondContact O-N 2.93Å
211	F	27.1	Very low	28.8	Very low	202 Å²	202	142.5 Å²	142.5	89%	0.886	77%	0.774	S	S	*	*			trans	-67.3	85.6	162.8	-104.4	-86.2	0	0	0	110.5	D209 V213	D209-F211 PolarHBondContact O-N 3.43Å; F211-V213 PolarHBondContact O-N 2.99Å
212	K	25	Very low	28.3	Very low	167 Å²	167	143.5 Å²	143.5	73%	0.726	78%	0.779	S	S	*	*			trans	-61.1	119.5	161.6	-80.1	-176.7	174.6	179.6	0	108.4	N210 H214	N210-K212 VanDerWaalsContact C-N 3.26Å; N210-K212 PolarHBondContact O-N 2.93Å; K212-H214 VanDerWaalsContact C-N 3.28Å; K212-H214 PolarHBondContact O-N 3.17Å
213	V	27.2	Very low	27.8	Very low	143 Å²	143	146.3 Å²	146.3	87%	0.867	79%	0.788	S	S	*	*			trans	-64.7	95	161.5	-180	0	0	0	0	106.7	F211 E215	F211-V213 PolarHBondContact O-N 2.99Å; V213-E215 PolarHBondContact O-N 3.19Å
214	H	25.2	Very low	27.5	Very low	150 Å²	150	150.2 Å²	150.2	69%	0.694	80%	0.803	S	S	*	*			trans	-66.3	120.9	173.7	-103	-79.3	0	0	0	108.9	K212 C216	K212-H214 VanDerWaalsContact C-N 3.28Å; K212-H214 PolarHBondContact O-N 3.17Å; H214-C216 PolarHBondContact O-N 3.1Å; H214-C216 VanDerWaalsContact O-N 3.09Å
215	E	23.4	Very low	27.3	Very low	184 Å²	184	149.8 Å²	149.8	86%	0.86	80%	0.799	S	S	*	*			trans	-55.7	112.8	159.2	-69.8	175.2	119.4	0	0	107.6	V213 D217	V213-E215 PolarHBondContact O-N 3.19Å; E215-D217 PolarHBondContact O-N 3.22Å
216	C	26.5	Very low	27	Very low	123 Å²	123	152.6 Å²	152.6	83%	0.831	80%	0.803	S	S	*	*			trans	-78.7	108.7	172.8	-76	0	0	0	0	109	H214	H214-C216 PolarHBondContact O-N 3.1Å; H214-C216 VanDerWaalsContact O-N 3.09Å
217	D	24	Very low	26.8	Very low	137 Å²	137	148 Å²	148	73%	0.733	79%	0.785	S	S	*	*			trans	-47.3	144.4	-179.2	-94.7	-54.6	0	0	0	114.8	E215 T219	E215-D217 PolarHBondContact O-N 3.22Å; D217-T219 PolarHBondContact O-N 3.1Å
218	V	25.5	Very low	26.4	Very low	135 Å²	135	149.1 Å²	149.1	82%	0.818	79%	0.79	S	S	*	*	S	Bend	trans	-79.5	62.2	177.2	-172.3	0	0	0	0	110.3
219	T	24.6	Very low	26.3	Very low	109 Å²	109	152.3 Å²	152.3	67%	0.669	79%	0.788	S	S	*	*			trans	-142.3	39.5	-176.3	53.8	0	0	0	0	115.5	D217 K221	D217-T219 PolarHBondContact O-N 3.1Å; T219-K221 VanDerWaalsContact C-N 3.29Å; T219-K221 PolarHBondContact O-N 3.4Å; T219-K221 VanDerWaalsContact O-N 3.1Å
220	M	26.9	Very low	26.1	Very low	182 Å²	182	150.6 Å²	150.6	90%	0.897	78%	0.783	S	S	*	*			trans	-85.4	71.4	165.1	-67.6	-118.7	133.6	0	0	111.4
221	K	25.6	Very low	26	Very low	152 Å²	152	150.6 Å²	150.6	66%	0.661	78%	0.783	S	S	*	*			trans	-76.9	144.4	159	-82.1	179.5	175.1	174.2	0	109	T219	T219-K221 VanDerWaalsContact C-N 3.29Å; T219-K221 PolarHBondContact O-N 3.4Å; T219-K221 VanDerWaalsContact O-N 3.1Å
222	N	25.8	Very low	25.9	Very low	138 Å²	138	144.3 Å²	144.3	74%	0.738	78%	0.776	S	S	*	*			trans	53	115.9	159.5	-57	-1.7	0	0	0	117.5
223	D	25.9	Very low	25.8	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	79%	0.785	S	S	*	*				171.6	80.4	125.3	-87	-11.4	0	0	0	111.4
224	H	27.4	Very low	25.6	Very low	202 Å²	202	144.1 Å²	144.1	94%	0.935	78%	0.78	S	S	*	*			trans	-145.6	57.2	159.3	-81.3	-42.9	0	0	0	111.2
225	I	27	Very low	25.6	Very low	144 Å²	144	144 Å²	144	74%	0.738	79%	0.79	S	S	*	*			trans	-124.5	104.2	158.8	-59.6	178.1	0	0	0	108.1
226	Q	28.8	Very low	25.5	Very low	185 Å²	185	141.5 Å²	141.5	86%	0.864	79%	0.791	S	S	*	*			trans	-130.7	103.3	148.1	-71.5	-177	-13.6	0	0	104.6
227	S	25.9	Very low	25.5	Very low	78 Å²	78	140.2 Å²	140.2	55%	0.545	79%	0.79	S	S	.	*				55.9	97.1	66.2	82.2	0	0	0	0	112.1
228	L	26.8	Very low	25.4	Very low	165 Å²	165	141.5 Å²	141.5	86%	0.864	80%	0.795	S	S	*	*			trans	172.9	91.2	156.7	-93.3	149.1	0	0	0	103.1
229	D	26.6	Very low	25.3	Very low	147 Å²	147	139.7 Å²	139.7	79%	0.786	79%	0.789	S	S	*	*				51	144.3	69.8	-71.2	-26.6	0	0	0	113.8
230	T	25.8	Very low	25.2	Very low	116 Å²	116	144 Å²	144	71%	0.712	79%	0.794	S	S	*	*	S	Bend	trans	-73.5	151.9	-160.5	45.7	0	0	0	0	114.1
231	D	24.5	Very low	25.1	Very low	155 Å²	155	141.6 Å²	141.6	83%	0.829	79%	0.79	S	S	*	*			trans	76	144.3	158.8	-46.4	-40.5	0	0	0	118.4
232	G	25.2	Very low	25.2	Very low	70 Å²	70	137.4 Å²	137.4	72%	0.722	79%	0.79	S	S	*	*			trans	93.5	96.4	152.5	0	0	0	0	0	118.4
233	E	23.9	Very low	25.1	Very low	196 Å²	196	138.4 Å²	138.4	92%	0.916	80%	0.795	S	S	*	*			trans	46.8	147.7	132.5	-60.2	-173.5	154.1	0	0	123.4
234	S	22.9	Very low	25.2	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	79%	0.788	S	S	*	*			trans	-59.9	146.9	-179.2	52.6	0	0	0	0	116.4
235	T	25.2	Very low	25.3	Very low	148 Å²	148	128.8 Å²	128.8	91%	0.908	76%	0.762	S	S	*	*			trans	-166.8	158	134.7	24.3	0	0	0	0	112.4
236	C	21.2	Very low	25.4	Very low	131 Å²	131	124.1 Å²	124.1	89%	0.885	74%	0.739	S	S	*	*			trans	-100.1	151.9	-179.2	-53.6	0	0	0	0	112
237	A	25	Very low	25.3	Very low	97 Å²	97	125.3 Å²	125.3	80%	0.802	74%	0.736	S	S	*	*			trans	-177.2	125.1	134.6	0	0	0	0	0	115.1
238	L	22.5	Very low	25.5	Very low	163 Å²	163	124.7 Å²	124.7	85%	0.853	73%	0.731	S	S	*	*			trans	-10.2	141.2	147.4	-62.1	152.7	0	0	0	119.2
239	S	23.1	Very low	25.9	Very low	98 Å²	98	120 Å²	120	69%	0.685	70%	0.702	S	S	*	*				163.6	162.6	94	55.1	0	0	0	0	115.6
240	Y	24.2	Very low	26.5	Very low	200 Å²	200	116.8 Å²	116.8	78%	0.784	68%	0.684	S	S	*	*			trans	69.3	91.9	168.4	-66.7	-76.1	0	0	0	119.1
241	T	24.9	Very low	27.2	Very low	131 Å²	131	117.7 Å²	117.7	80%	0.804	69%	0.685	S	S	*	*				83.3	103	89	54.6	0	0	0	0	115.2
242	G	26.3	Very low	28.9	Very low	64 Å²	64	117 Å²	117	66%	0.66	68%	0.676	S	S	*	*			trans	154.7	123	176	0	0	0	0	0	108.8	S244	G242-S244 PolarHBondContact O-N 2.77Å
243	D	24.1	Very low	30.8	Very low	159 Å²	159	115.1 Å²	115.1	85%	0.85	65%	0.651	S	S	*	*			trans	-65.6	100.8	-163.3	-138.8	-31.7	0	0	0	112.8	S245	D243-S245 PolarHBondContact OD1-OG 3.06Å; D243-S245 VanDerWaalsContact OD1-OG 3.12Å
244	S	27.6	Very low	33.6	Very low	91 Å²	91	110.5 Å²	110.5	64%	0.636	63%	0.633	S	S	*	*			trans	-111.7	5.4	-170.6	54.7	0	0	0	0	113.7	G242 N246 R247	G242-S244 PolarHBondContact O-N 2.77Å; S244-N246 VanDerWaalsContact C-N 3.28Å; S244-N246 PolarHBondContact O-N 3.31Å; S244-N246 VanDerWaalsContact O-N 3.11Å; S244-R247 PolarHBondContact O-N 3.14Å
245	S	29.8	Very low	36.5	Very low	58 Å²	58	105.8 Å²	105.8	41%	0.406	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.9	-15.9	-165.2	55	0	0	0	0	116.7	D243	D243-S245 PolarHBondContact OD1-OG 3.06Å; D243-S245 VanDerWaalsContact OD1-OG 3.12Å
246	N	29.3	Very low	39.4	Very low	46 Å²	46	99.4 Å²	99.4	25%	0.246	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-97.6	-19.9	178.3	-77.9	-35.5	0	0	0	114.5	S244	S244-N246 VanDerWaalsContact C-N 3.28Å; S244-N246 PolarHBondContact O-N 3.31Å; S244-N246 VanDerWaalsContact O-N 3.11Å
247	R	26.4	Very low	42.2	Very low	210 Å²	210	94.7 Å²	94.7	79%	0.792	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-18.6	-177.7	-77.1	-168.6	-178.8	-154.6	1.5	114.1	S244	S244-R247 PolarHBondContact O-N 3.14Å
248	S	29.4	Very low	44.9	Very low	64 Å²	64	91.8 Å²	91.8	45%	0.448	50%	0.497	S	S	.	.	S	Bend	trans	-76.3	-30.9	-175.9	50	0	0	0	0	114.8	L250 N251	S248-L250 PolarHBondContact O-N 2.75Å; S248-N251 PolarHBondContact O-N 3.47Å
249	R	36.2	Very low	47.9	Very low	66 Å²	66	85.7 Å²	85.7	25%	0.249	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-77.6	-18.6	-164.5	-53.6	-160.8	-154.5	169.8	10.8	115.7	G170 T171 N251 E252	G170-R249 PolarHBondContact O-NH1 3.11Å; G170-R249 PolarHBondContact O-NH2 3.33Å; T171-R249 HydrophobicContact CG2-CB 4.47Å; T171-R249 HydrophobicContact CG2-CG 4.29Å; R249-N251 PolarHBondContact O-N 2.89Å; R249-E252 PolarHBondContact O-N 3.39Å
250	L	38.5	Very low	50.8	Low	81 Å²	81	87 Å²	87	42%	0.424	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-68.1	-21.4	172.7	-93.4	159.9	0	0	0	112.7	L176 S248 E252	L176-L250 HydrophobicContact CD2-CD1 4.19Å; L176-L250 HydrophobicContact CD2-CD2 3.9Å; L176-L250 HydrophobicContact CD2-CG 4.21Å; S248-L250 PolarHBondContact O-N 2.75Å; L250-E252 VanDerWaalsContact C-N 3.34Å
251	N	41.9	Very low	53.6	Low	135 Å²	135	78.9 Å²	78.9	72%	0.722	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-83.5	-6.3	176.9	-70.5	-15.2	0	0	0	113.7	S248 R249	S248-N251 PolarHBondContact O-N 3.47Å; R249-N251 PolarHBondContact O-N 2.89Å
252	E	58.5	Low	56.4	Low	139 Å²	139	73.8 Å²	73.8	65%	0.65	39%	0.39	S	S	*	.	S	Bend	trans	-81.1	-24.5	178.8	-63.9	-179.8	159	0	0	112.7	R249 L250	R249-E252 PolarHBondContact O-N 3.39Å; L250-E252 VanDerWaalsContact C-N 3.34Å
253	V	66.4	Low	59.2	Low	32 Å²	32	74.4 Å²	74.4	19%	0.194	38%	0.378	C	S	.	.			trans	-87.3	116.6	179.9	-177.9	0	0	0	0	110.6	N143 Y168 W255	N143-V253 PolarHBondContact ND2-O 3.26Å; N143-V253 PolarHBondContact OD1-O 3.35Å; Y168-V253 WeakPolarHBondContact OH-CG2 3.45Å; V253-W255 HydrophobicContact CB-CZ2 4.38Å; V253-W255 HydrophobicContact CG1-CD2 3.87Å; V253-W255 HydrophobicContact CG1-CE3 4.41Å; V253-W255 HydrophobicContact CG1-CG 4.16Å; V253-W255 HydrophobicContact CG1-CZ2 4.07Å; V253-W255 PolarHBondContact O-N 2.95Å
254	N	81.6	Confident	62	Low	99 Å²	99	69.2 Å²	69.2	53%	0.529	35%	0.348	S	S	.	.			trans	-82.5	88.9	170	-171.8	-41.2	0	0	0	110.3	K256 S257 L258	N254-K256 PolarHBondContact O-N 2.84Å; N254-K256 WeakPolarHBondContact OD1-CB 3.48Å; N254-K256 PolarHBondContact OD1-N 2.58Å; N254-S257 WeakPolarHBondContact O-CB 3.5Å; N254-S257 PolarHBondContact O-N 3.26Å; N254-S257 VanDerWaalsContact O-N 3.15Å; N254-S257 WeakPolarHBondContact OD1-CB 3.45Å; N254-S257 PolarHBondContact OD1-N 3.27Å; N254-L258 PolarHBondContact O-N 3.12Å
255	W	83.7	Confident	64.8	Low	9 Å²	9	65 Å²	65	3%	0.034	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-30.5	-176.5	-65.4	97.1	0	0	0	112.7	N143 W146 H147 C150 F156 L159 V253 L258 Y259	N143-W255 PolarHBondContact OD1-N 3.34Å; N143-W255 VanDerWaalsContact OD1-N 3.16Å; W146-W255 HydrophobicContact CB-CB 3.65Å; H147-W255 HydrophobicContact CB-CB 4.5Å; H147-W255 HydrophobicContact CB-CD2 3.93Å; H147-W255 HydrophobicContact CB-CG 3.85Å; H147-W255 AromaticContact CD2-CD2 3.88Å; H147-W255 AromaticContact CD2-CE2 3.56Å; H147-W255 AromaticContact CD2-CH2 3.59Å; H147-W255 AromaticContact CD2-CZ2 3.45Å; H147-W255 VanDerWaalsContact CD2-CZ2 3.45Å; H147-W255 WeakPolarHBondContact CD2-CZ2 3.43Å; H147-W255 AromaticContact CD2-CZ3 3.83Å; C150-W255 HydrophobicContact CB-CE3 3.7Å; C150-W255 HydrophobicContact CB-CZ3 4.13Å; C150-W255 PolarHBondContact SG-O 3.24Å; F156-W255 HydrophobicContact CD2-CH2 4.37Å; F156-W255 HydrophobicContact CE2-CH2 4.4Å; L159-W255 HydrophobicContact CD1-CE3 4.14Å; L159-W255 HydrophobicContact CD1-CH2 3.7Å; L159-W255 HydrophobicContact CD1-CZ3 3.26Å; V253-W255 HydrophobicContact CB-CZ2 4.38Å; V253-W255 HydrophobicContact CG1-CD2 3.87Å; V253-W255 HydrophobicContact CG1-CE3 4.41Å; V253-W255 HydrophobicContact CG1-CG 4.16Å; V253-W255 HydrophobicContact CG1-CZ2 4.07Å; V253-W255 PolarHBondContact O-N 2.95Å; W255-L258 HydrophobicContact CE3-CD2 4.39Å; W255-L258 PolarHBondContact O-N 3.26Å; W255-Y259 PolarHBondContact O-N 2.96Å
256	K	86.8	Confident	67.5	Low	14 Å²	14	62.6 Å²	62.6	6%	0.061	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-44.1	175.1	-176.8	175.8	175.6	-177.3	0	112.2	F127 D141 W146 N254 L258 Y259 R260	F127-K256 HydrophobicContact CE1-CG 4.43Å; D141-K256 IonicContact OD1-NZ 2.57Å; D141-K256 PolarHBondContact OD1-NZ 3.4Å; D141-K256 IonicContact OD2-NZ 2.71Å; D141-K256 PolarHBondContact OD2-NZ 3.07Å; W146-K256 HydrophobicContact CB-CB 4.2Å; W146-K256 HydrophobicContact CD2-CB 3.79Å; W146-K256 HydrophobicContact CD2-CG 3.86Å; W146-K256 HydrophobicContact CE3-CG 4.47Å; W146-K256 HydrophobicContact CG-CB 3.57Å; W146-K256 HydrophobicContact CG-CG 4.13Å; W146-K256 HydrophobicContact CZ2-CD 4.32Å; W146-K256 HydrophobicContact CZ2-CG 4.06Å; N254-K256 PolarHBondContact O-N 2.84Å; N254-K256 WeakPolarHBondContact OD1-CB 3.48Å; N254-K256 PolarHBondContact OD1-N 2.58Å; K256-L258 VanDerWaalsContact C-N 3.35Å; K256-Y259 PolarHBondContact O-N 3.38Å; K256-R260 WeakPolarHBondContact O-CG 3.39Å; K256-R260 PolarHBondContact O-N 3.32Å; K256-R260 VanDerWaalsContact O-N 3.11Å
257	S	80.8	Confident	70.2	Confident	33 Å²	33	61.8 Å²	61.8	23%	0.231	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-44.5	178.4	-165.7	0	0	0	0	110.8	N254 R260 Q261	N254-S257 WeakPolarHBondContact O-CB 3.5Å; N254-S257 PolarHBondContact O-N 3.26Å; N254-S257 VanDerWaalsContact O-N 3.15Å; N254-S257 WeakPolarHBondContact OD1-CB 3.45Å; N254-S257 PolarHBondContact OD1-N 3.27Å; S257-R260 WeakPolarHBondContact O-CB 3.39Å; S257-R260 PolarHBondContact O-N 3.17Å; S257-Q261 PolarHBondContact O-N 2.8Å
258	L	81.4	Confident	73.2	Confident	36 Å²	36	52.3 Å²	52.3	19%	0.188	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-46.7	176.9	-174.8	82.5	0	0	0	112.5	L159 N254 W255 K256 R260 Q261 D262	L159-L258 HydrophobicContact CD1-CD2 3.46Å; L159-L258 VanDerWaalsContact CD1-CD2 3.46Å; L159-L258 HydrophobicContact CD2-CD1 3.59Å; L159-L258 HydrophobicContact CD2-CD2 3.5Å; L159-L258 HydrophobicContact CD2-CG 4.16Å; L159-L258 HydrophobicContact CG-CD1 4.47Å; L159-L258 HydrophobicContact CG-CD2 3.58Å; N254-L258 PolarHBondContact O-N 3.12Å; W255-L258 HydrophobicContact CE3-CD2 4.39Å; W255-L258 PolarHBondContact O-N 3.26Å; K256-L258 VanDerWaalsContact C-N 3.35Å; L258-R260 PolarHBondContact O-N 3.3Å; L258-Q261 WeakPolarHBondContact O-CB 3.03Å; L258-Q261 PolarHBondContact O-N 3.34Å; L258-D262 PolarHBondContact O-N 3.43Å
259	Y	84.4	Confident	76	Confident	35 Å²	35	49.2 Å²	49.2	14%	0.137	24%	0.243	C	C	.	.	H	α-helix	trans	-58	-39.8	177.6	-166.1	-75.1	0	0	0	111.2	P123 W146 L149 A153 L155 W255 K256 L263	P123-Y259 HydrophobicContact CB-CD1 4.39Å; P123-Y259 HydrophobicContact CB-CE1 3.63Å; P123-Y259 HydrophobicContact CB-CE2 4.47Å; P123-Y259 HydrophobicContact CG-CE1 4.15Å; P123-Y259 HydrophobicContact CG-CE2 4.18Å; P123-Y259 WeakPolarHBondContact CG-OH 3.22Å; W146-Y259 HydrophobicContact CE3-CD1 4.36Å; W146-Y259 HydrophobicContact CE3-CD2 4.34Å; W146-Y259 AromaticContact CE3-CG 3.87Å; W146-Y259 HydrophobicContact CE3-CG 3.87Å; W146-Y259 AromaticContact CZ3-CD1 3.7Å; W146-Y259 HydrophobicContact CZ3-CD1 3.7Å; W146-Y259 HydrophobicContact CZ3-CD2 4.33Å; W146-Y259 HydrophobicContact CZ3-CE1 4.43Å; W146-Y259 AromaticContact CZ3-CG 3.68Å; W146-Y259 HydrophobicContact CZ3-CG 3.68Å; L149-Y259 HydrophobicContact CB-CD2 4.33Å; L149-Y259 HydrophobicContact CB-CE2 4.33Å; A153-Y259 HydrophobicContact CB-CE2 3.86Å; L155-Y259 HydrophobicContact CD1-CD2 3.84Å; L155-Y259 HydrophobicContact CD1-CE2 4.3Å; L155-Y259 HydrophobicContact CD1-CG 4.43Å; W255-Y259 PolarHBondContact O-N 2.96Å; K256-Y259 PolarHBondContact O-N 3.38Å; Y259-L263 VanDerWaalsContact O-CB 3.31Å; Y259-L263 WeakPolarHBondContact O-CB 3.43Å; Y259-L263 PolarHBondContact O-N 2.57Å
260	R	85.2	Confident	78.6	Confident	126 Å²	126	50 Å²	50	48%	0.475	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-41.7	173.2	-74.2	177	166.1	177.3	-5.5	112.3	F127 K256 S257 L258 L263 H264	F127-R260 HydrophobicContact CE1-CG 3.87Å; F127-R260 HydrophobicContact CE2-CG 4.35Å; F127-R260 HydrophobicContact CZ-CG 3.44Å; F127-R260 VanDerWaalsContact CZ-CG 3.44Å; K256-R260 WeakPolarHBondContact O-CG 3.39Å; K256-R260 PolarHBondContact O-N 3.32Å; K256-R260 VanDerWaalsContact O-N 3.11Å; S257-R260 WeakPolarHBondContact O-CB 3.39Å; S257-R260 PolarHBondContact O-N 3.17Å; L258-R260 PolarHBondContact O-N 3.3Å; R260-L263 PolarHBondContact O-N 3.16Å; R260-H264 WeakPolarHBondContact O-CB 3.49Å; R260-H264 PolarHBondContact O-N 2.72Å
261	Q	82.1	Confident	80.7	Confident	29 Å²	29	48.9 Å²	48.9	14%	0.136	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-43.6	-179.7	-169.1	178.5	7.4	0	0	112.1	S257 L258 H264 T265 Q766	S257-Q261 PolarHBondContact O-N 2.8Å; L258-Q261 WeakPolarHBondContact O-CB 3.03Å; L258-Q261 PolarHBondContact O-N 3.34Å; Q261-H264 PolarHBondContact O-N 2.8Å; Q261-T265 WeakPolarHBondContact O-CB 3.37Å; Q261-T265 PolarHBondContact O-N 2.98Å; Q261-T265 PolarHBondContact O-OG1 2.9Å; Q261-Q766 HydrophobicContact CG-CG 4.38Å
262	D	83.9	Confident	82.2	Confident	24 Å²	24	43.3 Å²	43.3	13%	0.128	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-50.5	172	174.7	78	0	0	0	110.8	L155 L258 H264 T265 Q266 R697	L155-D262 HydrophobicContact CD1-CB 4.15Å; L155-D262 HydrophobicContact CD2-CB 3.48Å; L155-D262 VanDerWaalsContact CD2-CB 3.48Å; L258-D262 PolarHBondContact O-N 3.43Å; D262-H264 PolarHBondContact O-N 3.11Å; D262-H264 VanDerWaalsContact O-N 3.12Å; D262-T265 CarbonylContact O-C 3.55Å; D262-T265 WeakPolarHBondContact O-CA 3.49Å; D262-T265 WeakPolarHBondContact O-CB 3.49Å; D262-T265 PolarHBondContact O-N 3.39Å; D262-Q266 VanDerWaalsContact O-CG 3.25Å; D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.79Å; D262-Q266 PolarHBondContact OD1-NE2 2.83Å; D262-Q266 WeakPolarHBondContact OD2-CG 3.37Å; D262-R697 IonicContact OD1-CZ 3.39Å; D262-R697 IonicContact OD1-NH2 3.99Å; D262-R697 PolarHBondContact OD1-NH2 3.44Å; D262-R697 IonicContact OD2-NH2 3.11Å
263	L	85	Confident	82.5	Confident	77 Å²	77	38.5 Å²	38.5	40%	0.403	20%	0.202	S	C	.	.	H	α-helix	trans	-52.7	-41.4	179.2	179.5	63.1	0	0	0	111.9	F127 Y259 R260 C267	F127-L263 HydrophobicContact CE2-CD2 4.2Å; Y259-L263 VanDerWaalsContact O-CB 3.31Å; Y259-L263 WeakPolarHBondContact O-CB 3.43Å; Y259-L263 PolarHBondContact O-N 2.57Å; R260-L263 PolarHBondContact O-N 3.16Å; L263-C267 WeakPolarHBondContact O-CB 3.33Å; L263-C267 PolarHBondContact O-N 2.86Å; L263-C267 PolarHBondContact O-SG 2.89Å; L263-C267 VanDerWaalsContact O-SG 3.38Å
264	H	83.9	Confident	81.9	Confident	49 Å²	49	42 Å²	42	23%	0.227	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-43.4	175.7	-167.8	78.2	0	0	0	112.6	R260 Q261 D262 Q266 C267 N268 E767	R260-H264 WeakPolarHBondContact O-CB 3.49Å; R260-H264 PolarHBondContact O-N 2.72Å; Q261-H264 PolarHBondContact O-N 2.8Å; D262-H264 PolarHBondContact O-N 3.11Å; D262-H264 VanDerWaalsContact O-N 3.12Å; H264-Q266 PolarHBondContact O-N 3.28Å; H264-C267 CarbonylContact O-C 3.55Å; H264-C267 WeakPolarHBondContact O-CA 3.43Å; H264-C267 WeakPolarHBondContact O-CB 3.48Å; H264-C267 PolarHBondContact O-N 3.27Å; H264-C267 VanDerWaalsContact O-N 3.11Å; H264-N268 PolarHBondContact CD2-ND2 3.48Å; H264-N268 VanDerWaalsContact CD2-ND2 3.33Å; H264-N268 PolarHBondContact NE2-ND2 3.33Å; H264-N268 PolarHBondContact O-N 2.78Å; H264-E767 VanDerWaalsContact CD2-CG 3.47Å; H264-E767 WeakPolarHBondContact CD2-CG 3.32Å; H264-E767 IonicContact CD2-OE1 2.96Å; H264-E767 IonicContact CE1-OE1 2.94Å; H264-E767 WeakPolarHBondContact NE2-CG 3.3Å; H264-E767 IonicContact NE2-OE1 2.77Å; H264-E767 PolarHBondContact NE2-OE1 2.97Å; H264-E767 IonicContact NE2-OE2 3.9Å
265	T	84.6	Confident	81.2	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-47.3	173.9	-57	0	0	0	0	111.2	Q261 D262 C267 N268 W269 E742 E743 F765 Q766	Q261-T265 WeakPolarHBondContact O-CB 3.37Å; Q261-T265 PolarHBondContact O-N 2.98Å; Q261-T265 PolarHBondContact O-OG1 2.9Å; D262-T265 CarbonylContact O-C 3.55Å; D262-T265 WeakPolarHBondContact O-CA 3.49Å; D262-T265 WeakPolarHBondContact O-CB 3.49Å; D262-T265 PolarHBondContact O-N 3.39Å; T265-C267 VanDerWaalsContact C-N 3.25Å; T265-C267 PolarHBondContact O-N 2.72Å; T265-N268 WeakPolarHBondContact O-CB 3.35Å; T265-N268 PolarHBondContact O-N 2.72Å; T265-W269 PolarHBondContact O-N 3.1Å; T265-E742 WeakPolarHBondContact CG2-O 3.24Å; T265-E743 HydrophobicContact CG2-CG 4.43Å; T265-F765 HydrophobicContact CG2-CB 4.02Å; T265-Q766 HydrophobicContact CG2-CB 4.41Å
266	Q	87.1	Confident	80.5	Confident	7 Å²	7	47 Å²	47	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-29.3	175.6	-58	-67.7	-33.9	0	0	112.4	D262 H264 R270 N698 F699 E742	D262-Q266 VanDerWaalsContact O-CG 3.25Å; D262-Q266 WeakPolarHBondContact O-CG 3.36Å; D262-Q266 PolarHBondContact O-N 2.79Å; D262-Q266 PolarHBondContact OD1-NE2 2.83Å; D262-Q266 WeakPolarHBondContact OD2-CG 3.37Å; H264-Q266 PolarHBondContact O-N 3.28Å; Q266-R270 PolarHBondContact O-N 2.83Å; Q266-N698 VanDerWaalsContact CD-ND2 3.35Å; Q266-N698 PolarHBondContact OE1-ND2 3.28Å; Q266-F699 VanDerWaalsContact OE1-CE2 3.26Å; Q266-E742 PolarHBondContact NE2-OE2 3.28Å
267	C	87	Confident	80.5	Confident	29 Å²	29	47.1 Å²	47.1	20%	0.196	25%	0.245	C	C	.	.	H	α-helix	trans	-73.9	-37.9	170.7	-79.6	0	0	0	0	112.6	L263 H264 T265 R270 N271 C789	L263-C267 WeakPolarHBondContact O-CB 3.33Å; L263-C267 PolarHBondContact O-N 2.86Å; L263-C267 PolarHBondContact O-SG 2.89Å; L263-C267 VanDerWaalsContact O-SG 3.38Å; H264-C267 CarbonylContact O-C 3.55Å; H264-C267 WeakPolarHBondContact O-CA 3.43Å; H264-C267 WeakPolarHBondContact O-CB 3.48Å; H264-C267 PolarHBondContact O-N 3.27Å; H264-C267 VanDerWaalsContact O-N 3.11Å; T265-C267 VanDerWaalsContact C-N 3.25Å; T265-C267 PolarHBondContact O-N 2.72Å; C267-R270 PolarHBondContact O-N 3.3Å; C267-N271 PolarHBondContact O-N 2.81Å; C267-N271 PolarHBondContact O-ND2 2.8Å; C267-C789 HydrophobicContact CB-CB 4.18Å
268	N	87.9	Confident	81	Confident	11 Å²	11	47.7 Å²	47.7	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-38.7	176.6	-74.7	-18.9	0	0	0	112	H264 T265 R270 G272 W275 F765	H264-N268 PolarHBondContact CD2-ND2 3.48Å; H264-N268 VanDerWaalsContact CD2-ND2 3.33Å; H264-N268 PolarHBondContact NE2-ND2 3.33Å; H264-N268 PolarHBondContact O-N 2.78Å; T265-N268 WeakPolarHBondContact O-CB 3.35Å; T265-N268 PolarHBondContact O-N 2.72Å; N268-R270 PolarHBondContact O-N 3.42Å; N268-G272 CarbonylContact O-C 3.58Å; N268-G272 WeakPolarHBondContact O-CA 3.47Å; N268-G272 PolarHBondContact O-N 2.95Å; N268-W275 PolarHBondContact ND2-NE1 2.91Å; N268-F765 HydrophobicContact CB-CB 4.18Å; N268-F765 HydrophobicContact CB-CD1 4.36Å; N268-F765 WeakPolarHBondContact CB-O 3.23Å; N268-F765 PolarHBondContact ND2-O 3.26Å
269	W	89.5	Confident	81.4	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-55.8	-50.2	169.3	-81	101.4	0	0	0	111.6	T265 F699 I701 L711 R721 L723 S741 E742 L745 F765	T265-W269 PolarHBondContact O-N 3.1Å; W269-F699 HydrophobicContact CB-CD2 4.22Å; W269-F699 HydrophobicContact CB-CE2 3.49Å; W269-F699 VanDerWaalsContact CB-CE2 3.49Å; W269-F699 HydrophobicContact CB-CZ 3.77Å; W269-F699 HydrophobicContact CD2-CD2 4.46Å; W269-F699 HydrophobicContact CD2-CE2 4.45Å; W269-F699 HydrophobicContact CG-CD2 4.24Å; W269-F699 AromaticContact CG-CE2 3.77Å; W269-F699 HydrophobicContact CG-CE2 3.77Å; W269-I701 HydrophobicContact CE3-CD1 4.4Å; W269-I701 HydrophobicContact CH2-CD1 3.46Å; W269-I701 VanDerWaalsContact CH2-CD1 3.46Å; W269-I701 HydrophobicContact CZ2-CD1 4.48Å; W269-I701 HydrophobicContact CZ3-CD1 3.42Å; W269-I701 VanDerWaalsContact CZ3-CD1 3.42Å; W269-I701 HydrophobicContact CZ3-CG1 4.08Å; W269-L711 HydrophobicContact CB-CD2 4.27Å; W269-L711 HydrophobicContact CE3-CD1 3.93Å; W269-L711 HydrophobicContact CZ3-CD1 4.37Å; W269-L711 VanDerWaalsContact O-CD2 3.25Å; W269-L711 WeakPolarHBondContact O-CD2 3.19Å; W269-R721 PolarHBondContact O-NE 3.09Å; W269-L723 HydrophobicContact CE3-CD1 4.08Å; W269-L723 HydrophobicContact CE3-CD2 4.34Å; W269-L723 HydrophobicContact CZ3-CD1 3.72Å; W269-S741 VanDerWaalsContact CZ2-O 3.3Å; W269-S741 WeakPolarHBondContact CZ2-O 3.37Å; W269-E742 PolarHBondContact NE1-O 3.27Å; W269-L745 HydrophobicContact CH2-CB 3.83Å; W269-L745 HydrophobicContact CZ3-CB 4.28Å; W269-L745 HydrophobicContact CZ3-CD2 4.41Å; W269-F765 HydrophobicContact CB-CD1 4.48Å; W269-F765 AromaticContact CD1-CG 3.95Å; W269-F765 HydrophobicContact CD2-CB 4.5Å; W269-F765 HydrophobicContact CD2-CD1 4.08Å; W269-F765 AromaticContact CD2-CD2 3.65Å; W269-F765 HydrophobicContact CD2-CD2 3.65Å; W269-F765 HydrophobicContact CD2-CE1 4.19Å; W269-F765 AromaticContact CD2-CE2 3.78Å; W269-F765 HydrophobicContact CD2-CE2 3.78Å; W269-F765 AromaticContact CD2-CG 3.81Å; W269-F765 HydrophobicContact CD2-CG 3.81Å; W269-F765 HydrophobicContact CD2-CZ 4.05Å; W269-F765 AromaticContact CE2-CD2 3.32Å; W269-F765 AromaticContact CE2-CE2 3.74Å; W269-F765 AromaticContact CE2-CG 3.74Å; W269-F765 HydrophobicContact CE3-CD1 4.47Å; W269-F765 HydrophobicContact CE3-CD2 4.03Å; W269-F765 HydrophobicContact CE3-CE1 4.12Å; W269-F765 AromaticContact CE3-CE2 3.64Å; W269-F765 HydrophobicContact CE3-CE2 3.64Å; W269-F765 HydrophobicContact CE3-CG 4.43Å; W269-F765 AromaticContact CE3-CZ 3.68Å; W269-F765 HydrophobicContact CE3-CZ 3.68Å; W269-F765 HydrophobicContact CG-CB 4.29Å; W269-F765 HydrophobicContact CG-CD1 4.07Å; W269-F765 HydrophobicContact CG-CD2 4.29Å; W269-F765 HydrophobicContact CG-CE1 4.49Å; W269-F765 AromaticContact CG-CG 3.95Å; W269-F765 HydrophobicContact CG-CG 3.95Å; W269-F765 AromaticContact CH2-CD2 3.9Å; W269-F765 HydrophobicContact CH2-CD2 3.9Å; W269-F765 AromaticContact CH2-CE2 3.54Å; W269-F765 HydrophobicContact CH2-CE2 3.54Å; W269-F765 HydrophobicContact CH2-CZ 4.33Å; W269-F765 AromaticContact CZ2-CD2 3.45Å; W269-F765 HydrophobicContact CZ2-CD2 3.45Å; W269-F765 VanDerWaalsContact CZ2-CD2 3.45Å; W269-F765 AromaticContact CZ2-CE2 3.63Å; W269-F765 HydrophobicContact CZ2-CE2 3.63Å; W269-F765 HydrophobicContact CZ2-CG 4.33Å; W269-F765 HydrophobicContact CZ3-CD2 4.15Å; W269-F765 AromaticContact CZ3-CE2 3.53Å; W269-F765 HydrophobicContact CZ3-CE2 3.53Å; W269-F765 AromaticContact CZ3-CZ 3.85Å; W269-F765 HydrophobicContact CZ3-CZ 3.85Å; W269-F765 AromaticContact NE1-CD2 3.76Å; W269-F765 AromaticContact NE1-CG 3.79Å
270	R	89.8	Confident	81.8	Confident	82 Å²	82	47.3 Å²	47.3	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-70	-39.3	-175.4	-78.5	-179	170	94.6	-0	114.7	Q266 C267 N268 F699 D713 I720	Q266-R270 PolarHBondContact O-N 2.83Å; C267-R270 PolarHBondContact O-N 3.3Å; N268-R270 PolarHBondContact O-N 3.42Å; R270-F699 HydrophobicContact CG-CE1 3.56Å; R270-F699 HydrophobicContact CG-CZ 3.69Å; R270-F699 VanDerWaalsContact NH1-CZ 3.25Å; R270-D713 IonicContact CZ-OD2 3.65Å; R270-D713 IonicContact NH2-OD2 3.61Å; R270-D713 PolarHBondContact NH2-OD2 3.1Å; R270-I720 HydrophobicContact CB-CG2 4.42Å; R270-I720 HydrophobicContact CG-CD1 4.23Å; R270-I720 HydrophobicContact CG-CG2 4.4Å; R270-I720 WeakPolarHBondContact O-CG2 3.46Å
271	N	82.3	Confident	82.2	Confident	57 Å²	57	46.3 Å²	46.3	31%	0.305	26%	0.255	S	S	.	.	H	α-helix	trans	-107.8	-8.3	-170.3	-59.8	-86.9	0	0	0	113.7	C267	C267-N271 PolarHBondContact O-N 2.81Å; C267-N271 PolarHBondContact O-ND2 2.8Å
272	G	73.2	Confident	82.7	Confident	18 Å²	18	45.1 Å²	45.1	19%	0.186	25%	0.251	C	S	.	.			trans	67	176	-158.4	0	0	0	0	0	112.1	N268	N268-G272 CarbonylContact O-C 3.58Å; N268-G272 WeakPolarHBondContact O-CA 3.47Å; N268-G272 PolarHBondContact O-N 2.95Å
273	G	65.3	Low	83.1	Confident	39 Å²	39	44.5 Å²	44.5	40%	0.402	25%	0.247	S	C	.	.			trans	-150.6	-177.4	170.7	0	0	0	0	0	110.4	W275	G273-W275 VanDerWaalsContact CA-CD1 3.5Å; G273-W275 PolarHBondContact O-N 2.94Å
274	P	54.1	Low	83.4	Confident	105 Å²	105	47.2 Å²	47.2	68%	0.682	26%	0.257	S	S	*	.	S	Bend	trans	-77.8	45	179.5	36.3	-37.1	0	0	0	111.7
275	W	66.8	Low	83.5	Confident	71 Å²	71	50 Å²	50	27%	0.269	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-100.7	130.3	-171.6	-52.3	115.5	0	0	0	110.3	N268 G273 E767	N268-W275 PolarHBondContact ND2-NE1 2.91Å; G273-W275 VanDerWaalsContact CA-CD1 3.5Å; G273-W275 PolarHBondContact O-N 2.94Å; W275-E767 HydrophobicContact CH2-CB 3.82Å; W275-E767 HydrophobicContact CH2-CG 3.66Å; W275-E767 HydrophobicContact CZ2-CB 4.23Å; W275-E767 HydrophobicContact CZ2-CG 3.59Å; W275-E767 WeakPolarHBondContact CZ2-OE1 3.44Å
276	H	70.3	Confident	83.8	Confident	142 Å²	142	53.4 Å²	53.4	66%	0.657	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-84.8	126.4	178.6	-58.4	101.8	0	0	0	109.5	I278 N808	H276-I278 PolarHBondContact O-N 2.84Å; H276-N808 PolarHBondContact CD2-ND2 2.95Å; H276-N808 VanDerWaalsContact CD2-ND2 3.32Å; H276-N808 PolarHBondContact CD2-OD1 2.95Å
277	P	86.4	Confident	84	Confident	17 Å²	17	53.8 Å²	53.8	11%	0.11	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-62.8	131.7	170.5	26.2	-33	0	0	0	109.5	I279 V761 I762 L763 L801 L804	P277-I279 HydrophobicContact CB-CD1 4.41Å; P277-I279 HydrophobicContact CB-CG1 4.04Å; P277-I279 HydrophobicContact CG-CD1 4.08Å; P277-I279 HydrophobicContact CG-CG1 4.23Å; P277-I279 PolarHBondContact O-N 3.11Å; P277-V761 HydrophobicContact CB-CG1 4.12Å; P277-I762 WeakPolarHBondContact CA-O 3.3Å; P277-L763 HydrophobicContact CB-CD2 3.7Å; P277-L801 HydrophobicContact CG-CD1 4.19Å; P277-L804 HydrophobicContact CG-CB 4.48Å
278	I	89.8	Confident	84.2	Confident	45 Å²	45	52.4 Å²	52.4	23%	0.231	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	115.9	166.1	-58.2	164.9	0	0	0	106.5	H276 V280 I312 N313 I762	H276-I278 PolarHBondContact O-N 2.84Å; I278-V280 HydrophobicContact CG2-CG2 3.86Å; I278-I312 WeakPolarHBondContact CD1-O 3.3Å; I278-N313 WeakPolarHBondContact CD1-O 3.49Å; I278-I762 HydrophobicContact CB-CB 4.18Å; I278-I762 HydrophobicContact CG2-CD1 4.45Å; I278-I762 PolarHBondContact N-O 2.69Å; I278-I762 PolarHBondContact O-N 3.15Å
279	I	91.8	Very high	84.2	Confident	53 Å²	53	52 Å²	52	27%	0.272	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	-175.8	-56.8	171.4	0	0	0	107.9	P277 K759 L801 I805	P277-I279 HydrophobicContact CB-CD1 4.41Å; P277-I279 HydrophobicContact CB-CG1 4.04Å; P277-I279 HydrophobicContact CG-CD1 4.08Å; P277-I279 HydrophobicContact CG-CG1 4.23Å; P277-I279 PolarHBondContact O-N 3.11Å; I279-K759 HydrophobicContact CG2-CD 3.62Å; I279-L801 HydrophobicContact CD1-CD1 3.58Å; I279-L801 HydrophobicContact CD1-CD2 4.06Å; I279-L801 HydrophobicContact CD1-CG 3.8Å; I279-L801 HydrophobicContact CG1-CD1 4.28Å; I279-I805 HydrophobicContact CD1-CD1 3.53Å; I279-I805 HydrophobicContact CD1-CG1 3.81Å
280	V	90.8	Very high	84.2	Confident	10 Å²	10	52.1 Å²	52.1	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	113.2	-170.7	-169.9	0	0	0	0	109.7	I278 A282 W310 G315 K759 L760	I278-V280 HydrophobicContact CG2-CG2 3.86Å; V280-A282 PolarHBondContact O-N 2.82Å; V280-W310 HydrophobicContact CG1-CD2 4.3Å; V280-W310 HydrophobicContact CG1-CE3 3.38Å; V280-W310 HydrophobicContact CG1-CH2 4.22Å; V280-W310 HydrophobicContact CG1-CZ3 3.31Å; V280-G315 WeakPolarHBondContact CG1-O 3.44Å; V280-G315 WeakPolarHBondContact CG2-O 3.43Å; V280-K759 CarbonylContact O-C 3.59Å; V280-K759 WeakPolarHBondContact O-CA 3.35Å; V280-K759 WeakPolarHBondContact O-CB 3.22Å; V280-L760 HydrophobicContact CB-CB 4.35Å; V280-L760 PolarHBondContact N-O 3.49Å; V280-L760 PolarHBondContact O-N 3.48Å
281	P	94.3	Very high	84.3	Confident	105 Å²	105	48.2 Å²	48.2	68%	0.682	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	128.5	170.3	-21.8	33.5	0	0	0	110.4	W310	P281-W310 VanDerWaalsContact O-CH2 3.29Å; P281-W310 WeakPolarHBondContact O-CH2 3.34Å
282	A	92.9	Very high	84.7	Confident	4 Å²	4	47.3 Å²	47.3	3%	0.033	26%	0.26	C	S	.	.			trans	-140.9	145.9	-175.8	0	0	0	0	0	108.9	V280 H284 I288 W310 T758	V280-A282 PolarHBondContact O-N 2.82Å; A282-H284 PolarHBondContact O-N 2.92Å; A282-I288 HydrophobicContact CB-CD1 4.16Å; A282-W310 HydrophobicContact CB-CH2 3.74Å; A282-W310 HydrophobicContact CB-CZ2 3.39Å; A282-T758 PolarHBondContact N-O 3.09Å; A282-T758 VanDerWaalsContact N-O 3.16Å; A282-T758 CarbonylContact O-C 3.56Å; A282-T758 VanDerWaalsContact O-C 3.27Å; A282-T758 WeakPolarHBondContact O-CB 3.15Å; A282-T758 WeakPolarHBondContact O-CG2 3.31Å
283	H	93	Very high	85.5	Confident	10 Å²	10	48.8 Å²	48.8	5%	0.046	27%	0.266	C	S	.	.	S	Bend	trans	41.8	65.4	172.1	-58.2	-77	0	0	0	113.9	N285 H286 I288 T300 S302 D304 S306 C308 T758	H283-N285 PolarHBondContact O-N 3.38Å; H283-H286 HydrophobicContact CB-CB 4.17Å; H283-H286 WeakPolarHBondContact O-CA 3.22Å; H283-H286 WeakPolarHBondContact O-CB 3.38Å; H283-H286 PolarHBondContact O-N 1.95Å; H283-I288 HydrophobicContact CB-CG1 4.39Å; H283-T300 PolarHBondContact CD2-OG1 3.17Å; H283-T300 WeakPolarHBondContact NE2-CB 3.47Å; H283-T300 PolarHBondContact NE2-O 2.9Å; H283-T300 PolarHBondContact NE2-OG1 3.21Å; H283-S302 VanDerWaalsContact CG-CB 3.41Å; H283-S302 WeakPolarHBondContact ND1-CB 3.38Å; H283-D304 IonicContact CE1-OD1 2.75Å; H283-D304 IonicContact CE1-OD2 2.68Å; H283-D304 IonicContact CG-OD2 2.58Å; H283-D304 IonicContact ND1-OD1 3.37Å; H283-D304 PolarHBondContact ND1-OD1 2.9Å; H283-D304 IonicContact ND1-OD2 2.7Å; H283-D304 PolarHBondContact ND1-OD2 2.86Å; H283-S306 PolarHBondContact CE1-OG 2.88Å; H283-S306 PolarHBondContact ND1-OG 3.42Å; H283-C308 PolarHBondContact CE1-SG 2.88Å; H283-T758 HydrophobicContact CB-CG2 4.14Å; H283-T758 WeakPolarHBondContact O-CB 3.44Å; H283-T758 WeakPolarHBondContact O-CG2 3.41Å; H283-T758 PolarHBondContact O-OG1 3.21Å
284	H	89.7	Confident	86.6	Confident	135 Å²	135	47.7 Å²	47.7	63%	0.625	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	123.6	-165.6	-173.1	82.1	0	0	0	113.2	A282 H286	A282-H284 PolarHBondContact O-N 2.92Å; H284-H286 PolarHBondContact O-CD2 3.12Å; H284-H286 PolarHBondContact O-N 2.75Å
285	N	86.6	Confident	88.1	Confident	106 Å²	106	46.2 Å²	46.2	57%	0.567	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	8.1	-173.3	-57.3	-32.4	0	0	0	115.9	H283	H283-N285 PolarHBondContact O-N 3.38Å
286	H	92	Very high	89.1	Confident	76 Å²	76	46.5 Å²	46.5	35%	0.352	24%	0.238	S	C	.	.	S	Bend	trans	-108.8	165.4	-179.8	-82.9	-83.6	0	0	0	111.5	H283 H284 D303 D304 T758	H283-H286 HydrophobicContact CB-CB 4.17Å; H283-H286 WeakPolarHBondContact O-CA 3.22Å; H283-H286 WeakPolarHBondContact O-CB 3.38Å; H283-H286 PolarHBondContact O-N 1.95Å; H284-H286 PolarHBondContact O-CD2 3.12Å; H284-H286 PolarHBondContact O-N 2.75Å; H286-D303 WeakPolarHBondContact CA-OD1 3.34Å; H286-D303 WeakPolarHBondContact CB-OD1 3.32Å; H286-D303 IonicContact CG-OD1 3.7Å; H286-D303 IonicContact ND1-OD1 3.67Å; H286-D303 PolarHBondContact ND1-OD1 2.79Å; H286-D304 HydrophobicContact CB-CB 3.96Å; H286-T758 WeakPolarHBondContact O-CB 3.43Å; H286-T758 WeakPolarHBondContact O-CG2 3.4Å; H286-T758 PolarHBondContact O-OG1 3Å
287	V	90.1	Very high	90.1	Very high	14 Å²	14	41.4 Å²	41.4	9%	0.085	21%	0.213	C	C	.	.			trans	-93.9	127.2	-178.5	172.9	0	0	0	0	109.3	T289 S302 D303 C406 W736 R752	V287-T289 HydrophobicContact CG1-CG2 4.26Å; V287-T289 PolarHBondContact O-N 3.08Å; V287-T289 VanDerWaalsContact O-N 3.17Å; V287-S302 WeakPolarHBondContact O-CA 3.3Å; V287-S302 VanDerWaalsContact O-CB 3.26Å; V287-S302 WeakPolarHBondContact O-CB 3.35Å; V287-S302 PolarHBondContact O-OG 3.47Å; V287-D303 WeakPolarHBondContact CB-OD2 3.26Å; V287-D303 PolarHBondContact N-OD1 2.79Å; V287-D303 PolarHBondContact O-N 3.38Å; V287-C406 HydrophobicContact CG1-CB 4.02Å; V287-C406 WeakPolarHBondContact CG1-SG 3.42Å; V287-W736 HydrophobicContact CG1-CD2 4.37Å; V287-W736 HydrophobicContact CG1-CZ2 4.45Å; V287-W736 HydrophobicContact CG2-CZ2 4.29Å; V287-R752 HydrophobicContact CG2-CG 4.46Å
288	I	91.9	Very high	90.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	105.9	164.9	-62.2	167.1	0	0	0	106.8	A282 H283 T300 W736 A748 T758 L760	A282-I288 HydrophobicContact CB-CD1 4.16Å; H283-I288 HydrophobicContact CB-CG1 4.39Å; I288-T300 HydrophobicContact CD1-CG2 4.25Å; I288-T300 HydrophobicContact CG2-CG2 3.91Å; I288-W736 HydrophobicContact CB-CE3 3.88Å; I288-W736 HydrophobicContact CB-CZ3 3.89Å; I288-W736 HydrophobicContact CD1-CZ3 4.35Å; I288-W736 HydrophobicContact CG1-CZ3 4.09Å; I288-W736 VanDerWaalsContact N-CZ3 3.34Å; I288-A748 HydrophobicContact CB-CB 3.95Å; I288-A748 HydrophobicContact CD1-CB 3.98Å; I288-A748 HydrophobicContact CG2-CB 3.69Å; I288-T758 HydrophobicContact CD1-CG2 3.92Å; I288-T758 HydrophobicContact CG1-CG2 3.85Å; I288-L760 HydrophobicContact CD1-CD2 4.15Å
289	T	88.2	Confident	90.8	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-47.3	-177.6	58.1	0	0	0	0	109.6	V287 G301 D303 V328 W329 S404	V287-T289 HydrophobicContact CG1-CG2 4.26Å; V287-T289 PolarHBondContact O-N 3.08Å; V287-T289 VanDerWaalsContact O-N 3.17Å; T289-G301 PolarHBondContact N-O 3.24Å; T289-G301 PolarHBondContact OG1-O 2.88Å; T289-D303 HydrophobicContact CG2-CB 4.43Å; T289-V328 WeakPolarHBondContact CB-O 3.48Å; T289-V328 WeakPolarHBondContact CG2-O 3.38Å; T289-V328 PolarHBondContact OG1-O 3.17Å; T289-W329 HydrophobicContact CG2-CD2 4.15Å; T289-W329 HydrophobicContact CG2-CE3 3.71Å; T289-W329 HydrophobicContact CG2-CH2 4.03Å; T289-W329 HydrophobicContact CG2-CZ2 4.43Å; T289-W329 HydrophobicContact CG2-CZ3 3.64Å; T289-S404 WeakPolarHBondContact O-CA 3.25Å; T289-S404 WeakPolarHBondContact O-CB 3.33Å
290	C	88.9	Confident	91	Very high	2 Å²	2	36 Å²	36	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.1	-174.9	44.9	0	0	0	0	111.3	T300 G301 M331	C290-T300 WeakPolarHBondContact O-CA 3.38Å; C290-G301 PolarHBondContact N-O 3.11Å; C290-G301 PolarHBondContact O-N 3.46Å; C290-M331 HydrophobicContact CB-CE 4.12Å
291	L	92	Very high	91.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	113.8	-176.5	167.7	64.6	0	0	0	108.4	A298 I299 T300 R737 V739 I746 A748 L760	L291-A298 HydrophobicContact CD1-CB 4.38Å; L291-I299 CarbonylContact C-O 3.53Å; L291-I299 WeakPolarHBondContact CA-O 3.42Å; L291-T300 HydrophobicContact CD1-CG2 3.87Å; L291-R737 PolarHBondContact O-NH1 3.39Å; L291-V739 HydrophobicContact CD2-CG2 4.02Å; L291-V739 HydrophobicContact CG-CG2 3.91Å; L291-I746 HydrophobicContact CD1-CG2 4.17Å; L291-I746 HydrophobicContact CD2-CG2 4.04Å; L291-A748 HydrophobicContact CD2-CB 4.14Å; L291-L760 HydrophobicContact CD1-CD2 4.12Å
292	E	90.3	Very high	91.1	Very high	37 Å²	37	30.5 Å²	30.5	17%	0.173	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	154.3	173.8	-67.7	-61.2	130.2	0	0	109.9	I299 M331 R737	E292-I299 PolarHBondContact N-O 2.91Å; E292-I299 PolarHBondContact O-N 2.93Å; E292-M331 HydrophobicContact CG-CB 4.05Å; E292-M331 HydrophobicContact CG-CE 4.44Å; E292-R737 IonicContact OE1-CZ 2.83Å; E292-R737 IonicContact OE1-NH1 3.72Å; E292-R737 PolarHBondContact OE1-NH1 3.19Å; E292-R737 IonicContact OE1-NH2 3.96Å
293	V	89.6	Confident	91.1	Very high	49 Å²	49	33 Å²	33	30%	0.297	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.9	175.5	173	0	0	0	0	109.1	W297 A298 I312 V739 I746	V293-W297 WeakPolarHBondContact CA-O 3.48Å; V293-A298 HydrophobicContact CG2-CB 4.48Å; V293-I312 HydrophobicContact CG1-CD1 3.67Å; V293-I312 HydrophobicContact CG2-CD1 4.4Å; V293-V739 HydrophobicContact CB-CG1 3.91Å; V293-V739 HydrophobicContact CG2-CB 3.89Å; V293-V739 HydrophobicContact CG2-CG1 3.71Å; V293-V739 HydrophobicContact CG2-CG2 4.34Å; V293-I746 HydrophobicContact CG2-CD1 4.09Å; V293-I746 HydrophobicContact CG2-CG1 4.25Å
294	Y	88.6	Confident	91.1	Very high	16 Å²	16	34.7 Å²	34.7	6%	0.063	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	114.6	179.3	-177	-84.9	0	0	0	109.9	K162 E296 W297 V333 P335 P351	K162-Y294 PolarHBondContact NZ-OH 2.85Å; K162-Y294 VanDerWaalsContact NZ-OH 3.1Å; Y294-E296 PolarHBondContact O-N 3.35Å; Y294-W297 AromaticContact CD1-CE3 3.98Å; Y294-W297 HydrophobicContact CD1-CE3 3.98Å; Y294-W297 HydrophobicContact CD1-CZ3 4.2Å; Y294-W297 HydrophobicContact CE1-CZ3 4.47Å; Y294-W297 PolarHBondContact N-O 3.14Å; Y294-W297 WeakPolarHBondContact O-CB 3.47Å; Y294-W297 PolarHBondContact O-N 3.06Å; Y294-V333 HydrophobicContact CD2-CB 3.97Å; Y294-V333 HydrophobicContact CD2-CG1 3.35Å; Y294-V333 HydrophobicContact CE2-CG1 3.77Å; Y294-V333 HydrophobicContact CG-CB 4.48Å; Y294-V333 HydrophobicContact CG-CG1 3.85Å; Y294-P335 HydrophobicContact CE2-CB 4Å; Y294-P351 HydrophobicContact CD1-CG 4.22Å; Y294-P351 HydrophobicContact CE1-CB 3.93Å; Y294-P351 HydrophobicContact CE1-CG 3.39Å; Y294-P351 HydrophobicContact CE2-CB 4.03Å; Y294-P351 HydrophobicContact CE2-CG 4.39Å; Y294-P351 VanDerWaalsContact CZ-CG 3.5Å
295	E	85.2	Confident	91.4	Very high	74 Å²	74	29.7 Å²	29.7	35%	0.346	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-125.6	-173.8	-74.1	156.4	-146.7	0	0	110	K162 W297	K162-E295 HydrophobicContact CD-CG 3.63Å; K162-E295 IonicContact NZ-OE1 3.53Å; K162-E295 PolarHBondContact NZ-OE1 2.97Å; E295-W297 VanDerWaalsContact C-N 3.28Å; E295-W297 PolarHBondContact O-N 3.26Å
296	E	88.2	Confident	91.9	Very high	78 Å²	78	24.8 Å²	24.8	36%	0.364	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	10.2	-179.9	-56.9	-56.5	130.4	0	0	113	Y294 I312 N313 R744	Y294-E296 PolarHBondContact O-N 3.35Å; E296-I312 WeakPolarHBondContact O-CB 3.32Å; E296-I312 WeakPolarHBondContact O-CG1 3.46Å; E296-I312 PolarHBondContact O-N 3.3Å; E296-N313 PolarHBondContact OE2-ND2 2.79Å; E296-N313 PolarHBondContact OE2-OD1 2.98Å; E296-R744 IonicContact OE1-NH2 3.26Å; E296-R744 IonicContact OE2-CZ 3.84Å; E296-R744 VanDerWaalsContact OE2-CZ 3.26Å; E296-R744 IonicContact OE2-NH1 2.86Å; E296-R744 PolarHBondContact OE2-NH1 2.84Å; E296-R744 IonicContact OE2-NH2 2.57Å; E296-R744 PolarHBondContact OE2-NH2 3.28Å
297	W	92.5	Very high	92.1	Very high	35 Å²	35	21.2 Å²	21.2	13%	0.133	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.6	-176.7	-53.2	-33.5	0	0	0	112.4	V293 Y294 E295 I309 W310 L367 W372	V293-W297 WeakPolarHBondContact CA-O 3.48Å; Y294-W297 AromaticContact CD1-CE3 3.98Å; Y294-W297 HydrophobicContact CD1-CE3 3.98Å; Y294-W297 HydrophobicContact CD1-CZ3 4.2Å; Y294-W297 HydrophobicContact CE1-CZ3 4.47Å; Y294-W297 PolarHBondContact N-O 3.14Å; Y294-W297 WeakPolarHBondContact O-CB 3.47Å; Y294-W297 PolarHBondContact O-N 3.06Å; E295-W297 VanDerWaalsContact C-N 3.28Å; E295-W297 PolarHBondContact O-N 3.26Å; W297-I309 HydrophobicContact CB-CG2 4.01Å; W297-I309 HydrophobicContact CG-CG2 4.18Å; W297-W310 CarbonylContact C-O 3.58Å; W297-W310 VanDerWaalsContact CA-O 3.31Å; W297-W310 WeakPolarHBondContact CA-O 3.36Å; W297-L367 HydrophobicContact CE3-CD1 4.45Å; W297-L367 HydrophobicContact CZ3-CB 3.85Å; W297-L367 HydrophobicContact CZ3-CD1 4.4Å; W297-W372 AromaticContact CD2-CH2 3.75Å; W297-W372 HydrophobicContact CD2-CH2 3.75Å; W297-W372 HydrophobicContact CD2-CZ3 4.29Å; W297-W372 AromaticContact CE2-CH2 3.6Å; W297-W372 AromaticContact CE3-CH2 3.8Å; W297-W372 HydrophobicContact CE3-CH2 3.8Å; W297-W372 AromaticContact CE3-CZ3 3.9Å; W297-W372 HydrophobicContact CE3-CZ3 3.9Å; W297-W372 AromaticContact CH2-CH2 3.57Å; W297-W372 HydrophobicContact CH2-CH2 3.57Å; W297-W372 AromaticContact CH2-CZ3 3.93Å; W297-W372 HydrophobicContact CH2-CZ3 3.93Å; W297-W372 AromaticContact CZ2-CH2 3.52Å; W297-W372 HydrophobicContact CZ2-CH2 3.52Å; W297-W372 HydrophobicContact CZ2-CZ2 4.26Å; W297-W372 HydrophobicContact CZ2-CZ3 4.33Å; W297-W372 AromaticContact CZ3-CH2 3.73Å; W297-W372 HydrophobicContact CZ3-CH2 3.73Å; W297-W372 AromaticContact CZ3-CZ3 3.72Å; W297-W372 HydrophobicContact CZ3-CZ3 3.72Å
298	A	93.5	Very high	92.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	137	160.3	0	0	0	0	0	108.4	L291 V293 I309 W310 I312 I746 L760	L291-A298 HydrophobicContact CD1-CB 4.38Å; V293-A298 HydrophobicContact CG2-CB 4.48Å; A298-I309 WeakPolarHBondContact O-CA 3.21Å; A298-W310 HydrophobicContact CB-CB 4.39Å; A298-W310 PolarHBondContact N-O 2.95Å; A298-W310 PolarHBondContact O-N 2.81Å; A298-I312 HydrophobicContact CB-CD1 4.12Å; A298-I312 HydrophobicContact CB-CG1 3.88Å; A298-I746 HydrophobicContact CB-CG2 4.42Å; A298-L760 HydrophobicContact CB-CD1 4.2Å
299	I	95.6	Very high	92.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.3	-178.2	-53.7	177.7	0	0	0	107.2	L291 E292 I307 C308 I309 M331 V333 L353 L367	L291-I299 CarbonylContact C-O 3.53Å; L291-I299 WeakPolarHBondContact CA-O 3.42Å; E292-I299 PolarHBondContact N-O 2.91Å; E292-I299 PolarHBondContact O-N 2.93Å; I299-I307 HydrophobicContact CG2-CG2 3.61Å; I299-C308 WeakPolarHBondContact CA-O 3.43Å; I299-I309 HydrophobicContact CG1-CG1 4.27Å; I299-I309 HydrophobicContact CG1-CG2 4.42Å; I299-I309 HydrophobicContact CG2-CG1 4.31Å; I299-M331 HydrophobicContact CB-CE 4.45Å; I299-M331 HydrophobicContact CG2-CE 3.92Å; I299-M331 HydrophobicContact CG2-SD 3.92Å; I299-M331 WeakPolarHBondContact O-CE 3.47Å; I299-V333 HydrophobicContact CD1-CG2 3.88Å; I299-L353 HydrophobicContact CD1-CD1 4.33Å; I299-L353 HydrophobicContact CG2-CD1 4.17Å; I299-L353 HydrophobicContact CG2-CD2 3.84Å; I299-L367 HydrophobicContact CD1-CD1 3.89Å
300	T	96.5	Very high	93.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.9	179.5	51.5	0	0	0	0	110.9	H283 I288 C290 L291 I307 C308 W310 L760	H283-T300 PolarHBondContact CD2-OG1 3.17Å; H283-T300 WeakPolarHBondContact NE2-CB 3.47Å; H283-T300 PolarHBondContact NE2-O 2.9Å; H283-T300 PolarHBondContact NE2-OG1 3.21Å; I288-T300 HydrophobicContact CD1-CG2 4.25Å; I288-T300 HydrophobicContact CG2-CG2 3.91Å; C290-T300 WeakPolarHBondContact O-CA 3.38Å; L291-T300 HydrophobicContact CD1-CG2 3.87Å; T300-I307 CarbonylContact O-C 3.54Å; T300-I307 WeakPolarHBondContact O-CA 3.43Å; T300-I307 WeakPolarHBondContact O-CG2 3.34Å; T300-C308 PolarHBondContact N-O 3.48Å; T300-C308 PolarHBondContact O-N 2.89Å; T300-C308 PolarHBondContact OG1-O 3Å; T300-W310 PolarHBondContact OG1-NE1 2.93Å; T300-L760 HydrophobicContact CG2-CD1 3.89Å; T300-L760 HydrophobicContact CG2-CD2 3.72Å; T300-L760 HydrophobicContact CG2-CG 4.09Å
301	G	93.5	Very high	93.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	149.2	166.1	0	0	0	0	0	109.9	T289 C290 M331	T289-G301 PolarHBondContact N-O 3.24Å; T289-G301 PolarHBondContact OG1-O 2.88Å; C290-G301 PolarHBondContact N-O 3.11Å; C290-G301 PolarHBondContact O-N 3.46Å; G301-M331 VanDerWaalsContact N-CE 3.3Å
302	S	94.7	Very high	93.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	163.4	-172.3	-178.2	0	0	0	0	113.4	H283 V287 D304 S305 S306 G327 V328	H283-S302 VanDerWaalsContact CG-CB 3.41Å; H283-S302 WeakPolarHBondContact ND1-CB 3.38Å; V287-S302 WeakPolarHBondContact O-CA 3.3Å; V287-S302 VanDerWaalsContact O-CB 3.26Å; V287-S302 WeakPolarHBondContact O-CB 3.35Å; V287-S302 PolarHBondContact O-OG 3.47Å; S302-D304 WeakPolarHBondContact CB-OD1 3.3Å; S302-D304 PolarHBondContact O-N 3.37Å; S302-D304 PolarHBondContact OG-N 3.45Å; S302-S305 PolarHBondContact O-N 2.9Å; S302-S306 PolarHBondContact N-O 2.87Å; S302-G327 WeakPolarHBondContact O-CA 3.35Å; S302-V328 PolarHBondContact O-N 3.01Å
303	D	91.7	Very high	93.2	Very high	56 Å²	56	24.3 Å²	24.3	30%	0.299	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.1	170.8	63.6	2.6	0	0	0	113.5	H286 V287 T289 S305 W329	H286-D303 WeakPolarHBondContact CA-OD1 3.34Å; H286-D303 WeakPolarHBondContact CB-OD1 3.32Å; H286-D303 IonicContact CG-OD1 3.7Å; H286-D303 IonicContact ND1-OD1 3.67Å; H286-D303 PolarHBondContact ND1-OD1 2.79Å; V287-D303 WeakPolarHBondContact CB-OD2 3.26Å; V287-D303 PolarHBondContact N-OD1 2.79Å; V287-D303 PolarHBondContact O-N 3.38Å; T289-D303 HydrophobicContact CG2-CB 4.43Å; D303-S305 PolarHBondContact O-N 3.41Å; D303-W329 HydrophobicContact CB-CZ2 4.47Å
304	D	93.8	Very high	93.2	Very high	46 Å²	46	26.2 Å²	26.2	25%	0.246	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	4.5	169.2	72.8	11.1	0	0	0	115.3	H283 H286 S302 S306	H283-D304 IonicContact CE1-OD1 2.75Å; H283-D304 IonicContact CE1-OD2 2.68Å; H283-D304 IonicContact CG-OD2 2.58Å; H283-D304 IonicContact ND1-OD1 3.37Å; H283-D304 PolarHBondContact ND1-OD1 2.9Å; H283-D304 IonicContact ND1-OD2 2.7Å; H283-D304 PolarHBondContact ND1-OD2 2.86Å; H286-D304 HydrophobicContact CB-CB 3.96Å; S302-D304 WeakPolarHBondContact CB-OD1 3.3Å; S302-D304 PolarHBondContact O-N 3.37Å; S302-D304 PolarHBondContact OG-N 3.45Å; D304-S306 VanDerWaalsContact CG-OG 3.24Å; D304-S306 PolarHBondContact O-N 3.29Å; D304-S306 WeakPolarHBondContact OD1-CA 3.31Å; D304-S306 VanDerWaalsContact OD1-CB 3.28Å; D304-S306 WeakPolarHBondContact OD1-CB 3.37Å; D304-S306 PolarHBondContact OD1-N 3.41Å; D304-S306 PolarHBondContact OD1-OG 2.94Å; D304-S306 PolarHBondContact OD2-OG 2.83Å
305	S	95.8	Very high	93.3	Very high	30 Å²	30	25.9 Å²	25.9	21%	0.21	14%	0.139	C	C	.	.	S	Bend	trans	69.7	5.5	-177.7	-39.7	0	0	0	0	115.7	S302 D303 G326 G327	S302-S305 PolarHBondContact O-N 2.9Å; D303-S305 PolarHBondContact O-N 3.41Å; S305-G326 WeakPolarHBondContact CA-O 3.5Å; S305-G326 VanDerWaalsContact CB-C 3.49Å; S305-G326 WeakPolarHBondContact CB-O 3.42Å; S305-G326 WeakPolarHBondContact OG-CA 3.2Å; S305-G326 PolarHBondContact OG-N 2.98Å; S305-G326 PolarHBondContact OG-O 3.19Å; S305-G327 PolarHBondContact OG-N 3.46Å
306	S	96.6	Very high	93.7	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.028	15%	0.15	C	C	.	.			trans	-105	163.1	178.6	79.4	0	0	0	0	113	H283 S302 D304	H283-S306 PolarHBondContact CE1-OG 2.88Å; H283-S306 PolarHBondContact ND1-OG 3.42Å; S302-S306 PolarHBondContact N-O 2.87Å; D304-S306 VanDerWaalsContact CG-OG 3.24Å; D304-S306 PolarHBondContact O-N 3.29Å; D304-S306 WeakPolarHBondContact OD1-CA 3.31Å; D304-S306 VanDerWaalsContact OD1-CB 3.28Å; D304-S306 WeakPolarHBondContact OD1-CB 3.37Å; D304-S306 PolarHBondContact OD1-N 3.41Å; D304-S306 PolarHBondContact OD1-OG 2.94Å; D304-S306 PolarHBondContact OD2-OG 2.83Å
307	I	97.6	Very high	94	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	122.9	169.1	-53.4	168.1	0	0	0	108.2	I299 T300 L321 V328 M331 L353 S355 W365	I299-I307 HydrophobicContact CG2-CG2 3.61Å; T300-I307 CarbonylContact O-C 3.54Å; T300-I307 WeakPolarHBondContact O-CA 3.43Å; T300-I307 WeakPolarHBondContact O-CG2 3.34Å; I307-L321 HydrophobicContact CB-CB 4.18Å; I307-L321 HydrophobicContact CB-CD1 4.42Å; I307-L321 HydrophobicContact CG2-CD1 4.41Å; I307-L321 PolarHBondContact N-O 3.29Å; I307-L321 VanDerWaalsContact N-O 3.08Å; I307-L321 WeakPolarHBondContact O-CB 3.37Å; I307-L321 PolarHBondContact O-N 2.78Å; I307-V328 HydrophobicContact CD1-CG1 4.43Å; I307-V328 HydrophobicContact CD1-CG2 4.34Å; I307-V328 HydrophobicContact CG1-CG1 4.31Å; I307-V328 HydrophobicContact CG1-CG2 3.9Å; I307-M331 HydrophobicContact CD1-SD 4.3Å; I307-M331 HydrophobicContact CG1-SD 4.33Å; I307-M331 HydrophobicContact CG2-SD 3.76Å; I307-L353 HydrophobicContact CD1-CD2 4.49Å; I307-L353 HydrophobicContact CG2-CD2 4.12Å; I307-S355 VanDerWaalsContact CD1-CB 3.41Å; I307-S355 WeakPolarHBondContact CD1-OG 3.47Å; I307-W365 HydrophobicContact CD1-CZ2 4.23Å
308	C	97.3	Very high	94.1	Very high	4 Å²	4	28.3 Å²	28.3	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.5	177.3	-61.8	0	0	0	0	110.9	H283 I299 T300 W310 I319 N320	H283-C308 PolarHBondContact CE1-SG 2.88Å; I299-C308 WeakPolarHBondContact CA-O 3.43Å; T300-C308 PolarHBondContact N-O 3.48Å; T300-C308 PolarHBondContact O-N 2.89Å; T300-C308 PolarHBondContact OG1-O 3Å; C308-W310 HydrophobicContact CB-CD2 4.44Å; C308-W310 VanDerWaalsContact CB-CE2 3.41Å; C308-W310 HydrophobicContact CB-CH2 4.33Å; C308-W310 HydrophobicContact CB-CZ2 3.32Å; C308-W310 VanDerWaalsContact CB-NE1 3.34Å; C308-I319 WeakPolarHBondContact CA-O 3.49Å; C308-N320 PolarHBondContact SG-OD1 3.29Å
309	I	96.9	Very high	94.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.7	173	-55.6	-175.7	0	0	0	108.7	W297 A298 I299 L318 I319 L321 L367 W372	W297-I309 HydrophobicContact CB-CG2 4.01Å; W297-I309 HydrophobicContact CG-CG2 4.18Å; A298-I309 WeakPolarHBondContact O-CA 3.21Å; I299-I309 HydrophobicContact CG1-CG1 4.27Å; I299-I309 HydrophobicContact CG1-CG2 4.42Å; I299-I309 HydrophobicContact CG2-CG1 4.31Å; I309-L318 HydrophobicContact CG2-CD1 4.29Å; I309-L318 PolarHBondContact O-N 2.85Å; I309-I319 HydrophobicContact CB-CG2 4.06Å; I309-I319 HydrophobicContact CD1-CG2 4.09Å; I309-I319 HydrophobicContact CG1-CG2 4.16Å; I309-I319 PolarHBondContact N-O 2.86Å; I309-I319 PolarHBondContact O-N 2.75Å; I309-L321 HydrophobicContact CD1-CD1 4Å; I309-L321 HydrophobicContact CG1-CD1 4.43Å; I309-L367 HydrophobicContact CD1-CD2 3.89Å; I309-W372 HydrophobicContact CD1-CD2 4Å; I309-W372 HydrophobicContact CD1-CE3 3.35Å; I309-W372 HydrophobicContact CD1-CH2 4.22Å; I309-W372 HydrophobicContact CD1-CZ3 3.49Å; I309-W372 VanDerWaalsContact CD1-CZ3 3.49Å; I309-W372 HydrophobicContact CG2-CH2 4.03Å; I309-W372 HydrophobicContact CG2-CZ3 4.25Å
310	W	96.2	Very high	94.2	Very high	13 Å²	13	34 Å²	34	5%	0.049	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.2	-172.6	-44.6	86.8	0	0	0	110.3	V280 P281 A282 W297 A298 T300 C308 Q316 C317 L760	V280-W310 HydrophobicContact CG1-CD2 4.3Å; V280-W310 HydrophobicContact CG1-CE3 3.38Å; V280-W310 HydrophobicContact CG1-CH2 4.22Å; V280-W310 HydrophobicContact CG1-CZ3 3.31Å; P281-W310 VanDerWaalsContact O-CH2 3.29Å; P281-W310 WeakPolarHBondContact O-CH2 3.34Å; A282-W310 HydrophobicContact CB-CH2 3.74Å; A282-W310 HydrophobicContact CB-CZ2 3.39Å; W297-W310 CarbonylContact C-O 3.58Å; W297-W310 VanDerWaalsContact CA-O 3.31Å; W297-W310 WeakPolarHBondContact CA-O 3.36Å; A298-W310 HydrophobicContact CB-CB 4.39Å; A298-W310 PolarHBondContact N-O 2.95Å; A298-W310 PolarHBondContact O-N 2.81Å; T300-W310 PolarHBondContact OG1-NE1 2.93Å; C308-W310 HydrophobicContact CB-CD2 4.44Å; C308-W310 VanDerWaalsContact CB-CE2 3.41Å; C308-W310 HydrophobicContact CB-CH2 4.33Å; C308-W310 HydrophobicContact CB-CZ2 3.32Å; C308-W310 VanDerWaalsContact CB-NE1 3.34Å; W310-Q316 CarbonylContact C-O 3.53Å; W310-Q316 WeakPolarHBondContact CA-O 3.45Å; W310-C317 HydrophobicContact CD2-CB 4.46Å; W310-C317 HydrophobicContact CE3-CB 3.55Å; W310-C317 HydrophobicContact CH2-CB 4.18Å; W310-C317 HydrophobicContact CZ3-CB 3.4Å; W310-C317 VanDerWaalsContact CZ3-CB 3.4Å; W310-L760 HydrophobicContact CB-CD1 4.39Å; W310-L760 HydrophobicContact CD2-CD1 4.26Å; W310-L760 HydrophobicContact CG-CD1 3.81Å
311	D	94	Very high	94.1	Very high	32 Å²	32	34.3 Å²	34.3	17%	0.171	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.2	168.3	175.5	-79.2	0	0	0	109.6	N313 T314 G315 Q316 L318	D311-N313 VanDerWaalsContact C-N 3.31Å; D311-N313 PolarHBondContact O-N 3.09Å; D311-N313 WeakPolarHBondContact OD1-CA 3.46Å; D311-N313 WeakPolarHBondContact OD1-CB 3.46Å; D311-N313 PolarHBondContact OD1-N 3.33Å; D311-T314 WeakPolarHBondContact CB-OG1 3.2Å; D311-T314 VanDerWaalsContact CG-OG1 3.29Å; D311-T314 WeakPolarHBondContact OD1-CB 3.36Å; D311-T314 WeakPolarHBondContact OD1-CG2 3.23Å; D311-T314 PolarHBondContact OD1-N 3.31Å; D311-T314 PolarHBondContact OD1-OG1 3Å; D311-G315 VanDerWaalsContact O-CA 3.26Å; D311-G315 WeakPolarHBondContact O-CA 3.47Å; D311-G315 PolarHBondContact O-N 2.93Å; D311-Q316 PolarHBondContact N-O 3.15Å; D311-L318 HydrophobicContact CB-CD1 4.16Å; D311-L318 HydrophobicContact CB-CD2 4.04Å; D311-L318 HydrophobicContact CB-CG 4.11Å
312	I	89.6	Confident	94.1	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.2	-172.4	-66	173	0	0	0	112.1	I278 V293 E296 A298 R744 I746 I762	I278-I312 WeakPolarHBondContact CD1-O 3.3Å; V293-I312 HydrophobicContact CG1-CD1 3.67Å; V293-I312 HydrophobicContact CG2-CD1 4.4Å; E296-I312 WeakPolarHBondContact O-CB 3.32Å; E296-I312 WeakPolarHBondContact O-CG1 3.46Å; E296-I312 PolarHBondContact O-N 3.3Å; A298-I312 HydrophobicContact CB-CD1 4.12Å; A298-I312 HydrophobicContact CB-CG1 3.88Å; I312-R744 VanDerWaalsContact CG2-NH1 3.31Å; I312-I746 HydrophobicContact CD1-CD1 4.44Å; I312-I746 HydrophobicContact CD1-CG1 4.43Å; I312-I762 HydrophobicContact CG2-CD1 4.34Å; I312-I762 HydrophobicContact CG2-CG2 3.79Å
313	N	89.3	Confident	94	Very high	69 Å²	69	42.6 Å²	42.6	37%	0.369	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-31.3	-175.4	-58.5	-66.6	0	0	0	112.6	I278 E296 D311 R744	I278-N313 WeakPolarHBondContact CD1-O 3.49Å; E296-N313 PolarHBondContact OE2-ND2 2.79Å; E296-N313 PolarHBondContact OE2-OD1 2.98Å; D311-N313 VanDerWaalsContact C-N 3.31Å; D311-N313 PolarHBondContact O-N 3.09Å; D311-N313 WeakPolarHBondContact OD1-CA 3.46Å; D311-N313 WeakPolarHBondContact OD1-CB 3.46Å; D311-N313 PolarHBondContact OD1-N 3.33Å; N313-R744 PolarHBondContact OD1-NH1 3.5Å; N313-R744 PolarHBondContact OD1-NH2 3.07Å; N313-R744 VanDerWaalsContact OD1-NH2 3.11Å
314	T	90.8	Very high	94.2	Very high	88 Å²	88	40.5 Å²	40.5	54%	0.54	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-22.3	-177	59	0	0	0	0	112.8	D311 Q316	D311-T314 WeakPolarHBondContact CB-OG1 3.2Å; D311-T314 VanDerWaalsContact CG-OG1 3.29Å; D311-T314 WeakPolarHBondContact OD1-CB 3.36Å; D311-T314 WeakPolarHBondContact OD1-CG2 3.23Å; D311-T314 PolarHBondContact OD1-N 3.31Å; D311-T314 PolarHBondContact OD1-OG1 3Å; T314-Q316 PolarHBondContact O-N 3.27Å; T314-Q316 WeakPolarHBondContact OG1-CB 3.45Å; T314-Q316 PolarHBondContact OG1-N 2.87Å; T314-Q316 VanDerWaalsContact OG1-N 3.16Å
315	G	90.5	Very high	94.3	Very high	10 Å²	10	45.7 Å²	45.7	10%	0.103	25%	0.249	C	C	.	.			trans	72.2	7.1	-167.9	0	0	0	0	0	113.9	V280 D311	V280-G315 WeakPolarHBondContact CG1-O 3.44Å; V280-G315 WeakPolarHBondContact CG2-O 3.43Å; D311-G315 VanDerWaalsContact O-CA 3.26Å; D311-G315 WeakPolarHBondContact O-CA 3.47Å; D311-G315 PolarHBondContact O-N 2.93Å
316	Q	93.8	Very high	94.2	Very high	125 Å²	125	44.8 Å²	44.8	58%	0.584	24%	0.244	S	C	*	.			trans	-71.9	134.1	-178.4	-179.3	174.3	-10.4	0	0	110.9	W310 D311 T314 L318	W310-Q316 CarbonylContact C-O 3.53Å; W310-Q316 WeakPolarHBondContact CA-O 3.45Å; D311-Q316 PolarHBondContact N-O 3.15Å; T314-Q316 PolarHBondContact O-N 3.27Å; T314-Q316 WeakPolarHBondContact OG1-CB 3.45Å; T314-Q316 PolarHBondContact OG1-N 2.87Å; T314-Q316 VanDerWaalsContact OG1-N 3.16Å; Q316-L318 PolarHBondContact O-N 2.93Å
317	C	94.7	Very high	94.1	Very high	44 Å²	44	44.8 Å²	44.8	30%	0.297	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	116.7	163.8	-160.9	0	0	0	0	109.4	W310 N320	W310-C317 HydrophobicContact CD2-CB 4.46Å; W310-C317 HydrophobicContact CE3-CB 3.55Å; W310-C317 HydrophobicContact CH2-CB 4.18Å; W310-C317 HydrophobicContact CZ3-CB 3.4Å; W310-C317 VanDerWaalsContact CZ3-CB 3.4Å; C317-N320 PolarHBondContact SG-OD1 2.83Å
318	L	94.5	Very high	93.9	Very high	68 Å²	68	44.8 Å²	44.8	36%	0.356	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-43.6	177.4	-62.7	-179	0	0	0	111	I309 D311 Q316 W372	I309-L318 HydrophobicContact CG2-CD1 4.29Å; I309-L318 PolarHBondContact O-N 2.85Å; D311-L318 HydrophobicContact CB-CD1 4.16Å; D311-L318 HydrophobicContact CB-CD2 4.04Å; D311-L318 HydrophobicContact CB-CG 4.11Å; Q316-L318 PolarHBondContact O-N 2.93Å; L318-W372 HydrophobicContact CD1-CZ2 4.31Å
319	I	95.2	Very high	93.6	Very high	47 Å²	47	47.3 Å²	47.3	24%	0.241	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	149.3	177.2	-166.5	160.1	0	0	0	112.3	C308 I309 L321 W372	C308-I319 WeakPolarHBondContact CA-O 3.49Å; I309-I319 HydrophobicContact CB-CG2 4.06Å; I309-I319 HydrophobicContact CD1-CG2 4.09Å; I309-I319 HydrophobicContact CG1-CG2 4.16Å; I309-I319 PolarHBondContact N-O 2.86Å; I309-I319 PolarHBondContact O-N 2.75Å; I319-L321 HydrophobicContact CD1-CD2 4.05Å; I319-L321 HydrophobicContact CG1-CD2 4.06Å; I319-L321 HydrophobicContact CG2-CD2 3.73Å; I319-L321 HydrophobicContact CG2-CG 4.26Å; I319-W372 HydrophobicContact CD1-CB 4.17Å; I319-W372 HydrophobicContact CD1-CG 4.17Å; I319-W372 HydrophobicContact CG2-CB 4.23Å; I319-W372 HydrophobicContact CG2-CD2 4.05Å; I319-W372 HydrophobicContact CG2-CG 3.75Å
320	N	94.5	Very high	93.3	Very high	72 Å²	72	47.3 Å²	47.3	39%	0.385	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.4	163.4	-64.7	-7.3	0	0	0	108.6	C308 C317 F322	C308-N320 PolarHBondContact SG-OD1 3.29Å; C317-N320 PolarHBondContact SG-OD1 2.83Å; N320-F322 HydrophobicContact CB-CD2 4.26Å; N320-F322 HydrophobicContact CB-CE2 3.5Å; N320-F322 VanDerWaalsContact CB-CE2 3.5Å; N320-F322 HydrophobicContact CB-CZ 3.81Å; N320-F322 WeakPolarHBondContact O-CD2 3.29Å
321	L	95.3	Very high	93.2	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.3	175.7	-51.1	179.2	0	0	0	109.1	I307 I309 I319 L353 W365 W372	I307-L321 HydrophobicContact CB-CB 4.18Å; I307-L321 HydrophobicContact CB-CD1 4.42Å; I307-L321 HydrophobicContact CG2-CD1 4.41Å; I307-L321 PolarHBondContact N-O 3.29Å; I307-L321 VanDerWaalsContact N-O 3.08Å; I307-L321 WeakPolarHBondContact O-CB 3.37Å; I307-L321 PolarHBondContact O-N 2.78Å; I309-L321 HydrophobicContact CD1-CD1 4Å; I309-L321 HydrophobicContact CG1-CD1 4.43Å; I319-L321 HydrophobicContact CD1-CD2 4.05Å; I319-L321 HydrophobicContact CG1-CD2 4.06Å; I319-L321 HydrophobicContact CG2-CD2 3.73Å; I319-L321 HydrophobicContact CG2-CG 4.26Å; L321-L353 HydrophobicContact CD1-CD2 4.25Å; L321-W365 HydrophobicContact CB-CE3 3.99Å; L321-W365 HydrophobicContact CB-CH2 4.06Å; L321-W365 HydrophobicContact CB-CZ3 3.73Å; L321-W365 HydrophobicContact CD1-CB 4.35Å; L321-W365 HydrophobicContact CD1-CD2 3.94Å; L321-W365 HydrophobicContact CD1-CE3 3.87Å; L321-W365 HydrophobicContact CD1-CG 4.16Å; L321-W365 HydrophobicContact CD1-CZ3 4.48Å; L321-W365 HydrophobicContact CD2-CE3 4.32Å; L321-W365 HydrophobicContact CG-CE3 4.28Å; L321-W365 HydrophobicContact CG-CZ3 4.48Å; L321-W372 HydrophobicContact CD2-CB 3.58Å; L321-W372 HydrophobicContact CD2-CG 4.47Å
322	F	93.5	Very high	93.1	Very high	147 Å²	147	46.2 Å²	46.2	65%	0.645	25%	0.249	S	C	*	.			trans	-107.5	147.7	174	-62.9	-78.4	0	0	0	110.2	N320	N320-F322 HydrophobicContact CB-CD2 4.26Å; N320-F322 HydrophobicContact CB-CE2 3.5Å; N320-F322 VanDerWaalsContact CB-CE2 3.5Å; N320-F322 HydrophobicContact CB-CZ 3.81Å; N320-F322 WeakPolarHBondContact O-CD2 3.29Å
323	G	92.7	Very high	93.1	Very high	28 Å²	28	46.9 Å²	46.9	29%	0.289	25%	0.254	S	S	.	.			trans	162.4	-36.4	173.1	0	0	0	0	0	113.3	R363	G323-R363 VanDerWaalsContact C-NH1 3.29Å; G323-R363 PolarHBondContact O-NH1 2.89Å; G323-R363 VanDerWaalsContact O-NH1 3.11Å; G323-R363 PolarHBondContact O-NH2 3.41Å
324	H	96.5	Very high	93	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.056	24%	0.237	C	C	.	.			trans	-62.1	145.4	170.6	-80.8	-63.9	0	0	0	110.9	V328 S355 S357 D359 T361 R363	H324-V328 HydrophobicContact CB-CG2 4.45Å; H324-S355 PolarHBondContact NE2-OG 2.9Å; H324-S357 VanDerWaalsContact CE1-CB 3.46Å; H324-S357 WeakPolarHBondContact CE1-CB 3.43Å; H324-S357 WeakPolarHBondContact ND1-CB 3.34Å; H324-D359 WeakPolarHBondContact CA-OD2 3.15Å; H324-D359 WeakPolarHBondContact CB-OD2 3.3Å; H324-D359 IonicContact CE1-OD1 2.97Å; H324-D359 IonicContact CG-OD2 3.95Å; H324-D359 IonicContact ND1-OD1 3.65Å; H324-D359 PolarHBondContact ND1-OD1 3.47Å; H324-D359 IonicContact ND1-OD2 3.39Å; H324-D359 PolarHBondContact ND1-OD2 2.97Å; H324-T361 PolarHBondContact CE1-OG1 2.83Å; H324-T361 PolarHBondContact ND1-OG1 2.82Å; H324-R363 PolarHBondContact ND1-NE 2.94Å
325	L	95.2	Very high	92.5	Very high	155 Å²	155	42.4 Å²	42.4	81%	0.812	23%	0.23	S	C	*	.	S	Bend	trans	-101.1	9.8	179.6	-59.1	180	0	0	0	112.9	D359	L325-D359 HydrophobicContact CB-CB 4.05Å; L325-D359 PolarHBondContact N-OD2 2.85Å
326	G	93.4	Very high	91.7	Very high	10 Å²	10	47.7 Å²	47.7	10%	0.103	25%	0.247	C	C	.	.	S	Bend	trans	-161.7	164.8	178.4	0	0	0	0	0	110.8	S305 V328 S357 C358	S305-G326 WeakPolarHBondContact CA-O 3.5Å; S305-G326 VanDerWaalsContact CB-C 3.49Å; S305-G326 WeakPolarHBondContact CB-O 3.42Å; S305-G326 WeakPolarHBondContact OG-CA 3.2Å; S305-G326 PolarHBondContact OG-N 2.98Å; S305-G326 PolarHBondContact OG-O 3.19Å; G326-V328 PolarHBondContact O-N 3.43Å; G326-S357 VanDerWaalsContact C-OG 3.27Å; G326-S357 PolarHBondContact O-OG 3.02Å; G326-C358 VanDerWaalsContact C-SG 3.59Å
327	G	93.6	Very high	90.1	Very high	5 Å²	5	43 Å²	43	5%	0.052	22%	0.224	C	C	.	.			trans	-46	134.6	-179	0	0	0	0	0	114	S302 S305 W329 S357 C358	S302-G327 WeakPolarHBondContact O-CA 3.35Å; S305-G327 PolarHBondContact OG-N 3.46Å; G327-W329 PolarHBondContact O-NE1 3.29Å; G327-S357 CarbonylContact O-C 3.48Å; G327-S357 VanDerWaalsContact O-CA 3.24Å; G327-S357 WeakPolarHBondContact O-CA 3.42Å; G327-S357 WeakPolarHBondContact O-CB 3.33Å; G327-S357 PolarHBondContact O-OG 2.93Å; G327-S357 VanDerWaalsContact O-OG 3.1Å; G327-C358 PolarHBondContact N-SG 3.43Å; G327-C358 PolarHBondContact O-N 2.92Å
328	V	94	Very high	87.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	135.1	173.5	-177.1	0	0	0	0	107.9	T289 S302 I307 H324 G326 M331	T289-V328 WeakPolarHBondContact CB-O 3.48Å; T289-V328 WeakPolarHBondContact CG2-O 3.38Å; T289-V328 PolarHBondContact OG1-O 3.17Å; S302-V328 PolarHBondContact O-N 3.01Å; I307-V328 HydrophobicContact CD1-CG1 4.43Å; I307-V328 HydrophobicContact CD1-CG2 4.34Å; I307-V328 HydrophobicContact CG1-CG1 4.31Å; I307-V328 HydrophobicContact CG1-CG2 3.9Å; H324-V328 HydrophobicContact CB-CG2 4.45Å; G326-V328 PolarHBondContact O-N 3.43Å; V328-M331 HydrophobicContact CG1-CG 4.12Å
329	W	90.6	Very high	85.2	Confident	58 Å²	58	46.5 Å²	46.5	22%	0.22	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	-18	-174.1	-72.7	98.7	0	0	0	114.6	T289 D303 G327 G356 T384 R386 S404	T289-W329 HydrophobicContact CG2-CD2 4.15Å; T289-W329 HydrophobicContact CG2-CE3 3.71Å; T289-W329 HydrophobicContact CG2-CH2 4.03Å; T289-W329 HydrophobicContact CG2-CZ2 4.43Å; T289-W329 HydrophobicContact CG2-CZ3 3.64Å; D303-W329 HydrophobicContact CB-CZ2 4.47Å; G327-W329 PolarHBondContact O-NE1 3.29Å; W329-G356 PolarHBondContact N-O 2.74Å; W329-T384 HydrophobicContact CG-CG2 4.37Å; W329-R386 PolarHBondContact O-NH1 3.42Å; W329-S404 VanDerWaalsContact CZ3-O 3.28Å; W329-S404 WeakPolarHBondContact CZ3-O 3.47Å; W329-S404 PolarHBondContact O-OG 3.31Å
330	S	92	Very high	82.3	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	146	178.9	61.5	0	0	0	0	111.4	S355 G356 V385	S330-S355 CarbonylContact O-C 3.49Å; S330-S355 WeakPolarHBondContact O-CA 3.4Å; S330-G356 PolarHBondContact N-O 3.14Å; S330-G356 PolarHBondContact O-N 3.28Å; S330-V385 PolarHBondContact OG-O 3.34Å
331	M	94	Very high	79.5	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	153.2	177.8	-71.3	-169.7	-49.3	0	0	111.5	C290 E292 I299 G301 I307 V328 L353 I354	C290-M331 HydrophobicContact CB-CE 4.12Å; E292-M331 HydrophobicContact CG-CB 4.05Å; E292-M331 HydrophobicContact CG-CE 4.44Å; I299-M331 HydrophobicContact CB-CE 4.45Å; I299-M331 HydrophobicContact CG2-CE 3.92Å; I299-M331 HydrophobicContact CG2-SD 3.92Å; I299-M331 WeakPolarHBondContact O-CE 3.47Å; G301-M331 VanDerWaalsContact N-CE 3.3Å; I307-M331 HydrophobicContact CD1-SD 4.3Å; I307-M331 HydrophobicContact CG1-SD 4.33Å; I307-M331 HydrophobicContact CG2-SD 3.76Å; V328-M331 HydrophobicContact CG1-CG 4.12Å; M331-L353 HydrophobicContact CB-CD1 4.19Å; M331-L353 HydrophobicContact CG-CD1 4.39Å; M331-L353 HydrophobicContact SD-CD1 4.18Å; M331-I354 CarbonylContact C-O 3.5Å; M331-I354 WeakPolarHBondContact CA-O 3.43Å
332	T	92.3	Very high	76.6	Confident	20 Å²	20	59.8 Å²	59.8	12%	0.123	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	152.5	166.4	-164.7	0	0	0	0	110	I354 L388 S390 V516	T332-I354 HydrophobicContact CG2-CB 4.3Å; T332-I354 HydrophobicContact CG2-CD1 4.21Å; T332-I354 PolarHBondContact N-O 3.05Å; T332-I354 PolarHBondContact O-N 3.18Å; T332-L388 VanDerWaalsContact CB-CD1 3.42Å; T332-L388 HydrophobicContact CG2-CD1 3.33Å; T332-S390 PolarHBondContact OG1-OG 2.94Å; T332-V516 HydrophobicContact CG2-CG2 4.3Å
333	V	89.4	Confident	73.8	Confident	19 Å²	19	62.3 Å²	62.3	12%	0.115	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123	172.5	-174.3	0	0	0	0	109.8	Y294 I299 P351 L352 L353 L367	Y294-V333 HydrophobicContact CD2-CB 3.97Å; Y294-V333 HydrophobicContact CD2-CG1 3.35Å; Y294-V333 HydrophobicContact CE2-CG1 3.77Å; Y294-V333 HydrophobicContact CG-CB 4.48Å; Y294-V333 HydrophobicContact CG-CG1 3.85Å; I299-V333 HydrophobicContact CD1-CG2 3.88Å; V333-P351 HydrophobicContact CG1-CB 4.02Å; V333-L352 CarbonylContact C-O 3.59Å; V333-L352 WeakPolarHBondContact CA-O 3.42Å; V333-L353 HydrophobicContact CG2-CD1 3.95Å; V333-L367 HydrophobicContact CG1-CD1 3.86Å; V333-L367 HydrophobicContact CG2-CD1 4.27Å
334	I	86.8	Confident	71	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.015	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	117.9	164.6	-62.1	-179.5	0	0	0	107.1	P351 L352 I354 V530	I334-P351 WeakPolarHBondContact O-CA 3.43Å; I334-P351 WeakPolarHBondContact O-CB 3.16Å; I334-L352 HydrophobicContact CB-CB 4.42Å; I334-L352 PolarHBondContact N-O 3.32Å; I334-L352 PolarHBondContact O-N 3.4Å; I334-I354 HydrophobicContact CB-CD1 4.48Å; I334-I354 HydrophobicContact CD1-CD1 3.61Å; I334-I354 HydrophobicContact CG1-CD1 3.69Å; I334-V530 HydrophobicContact CD1-CG1 4.15Å; I334-V530 HydrophobicContact CD1-CG2 3.89Å
335	P	80.7	Confident	68	Low	60 Å²	60	78.5 Å²	78.5	39%	0.39	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-65.5	161.7	179.3	28.9	-35.6	0	0	0	111.5	Y294 Q337	Y294-P335 HydrophobicContact CE2-CB 4Å; P335-Q337 PolarHBondContact O-N 3.28Å
336	R	72.2	Confident	65.3	Low	121 Å²	121	80.6 Å²	80.6	46%	0.457	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-54.8	124.4	169.7	-62.8	177.2	-168.8	-169.1	2	109.4	Q349 P351	R336-Q349 VanDerWaalsContact CD-O 3.31Å; R336-Q349 WeakPolarHBondContact CD-O 3.35Å; R336-P351 HydrophobicContact CG-CB 4.28Å; R336-P351 HydrophobicContact CG-CG 3.91Å
337	Q	61	Low	62.9	Low	25 Å²	25	82.9 Å²	82.9	12%	0.117	41%	0.405	C	S	.	.			trans	-106.8	121.5	175	-67.4	179.2	21.2	0	0	109.2	P335 I339 L347 N512 G513	P335-Q337 PolarHBondContact O-N 3.28Å; Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 HydrophobicContact CB-CD1 4.39Å; Q337-I339 HydrophobicContact CB-CG1 3.95Å; Q337-I339 PolarHBondContact O-N 3.02Å; Q337-L347 WeakPolarHBondContact O-CD1 3.39Å; Q337-N512 PolarHBondContact OE1-O 2.97Å; Q337-G513 PolarHBondContact NE2-O 3.36Å; Q337-G513 VanDerWaalsContact OE1-CA 3.29Å
338	L	45.5	Very low	61	Low	142 Å²	142	83.5 Å²	83.5	74%	0.743	41%	0.409	S	S	*	.			trans	-84.6	81.3	170	-77.1	165.8	0	0	0	108.7	F340 L347	L338-F340 HydrophobicContact CB-CE2 4.32Å; L338-L347 HydrophobicContact CD2-CD2 4.28Å
339	I	40.6	Very low	59.7	Low	45 Å²	45	90 Å²	90	23%	0.231	44%	0.439	C	S	.	.			trans	-88.9	107.6	172.5	-41.6	-179.7	0	0	0	108.3	Q337 L341 L347 N512 H514	Q337-I339 VanDerWaalsContact C-N 3.35Å; Q337-I339 HydrophobicContact CB-CD1 4.39Å; Q337-I339 HydrophobicContact CB-CG1 3.95Å; Q337-I339 PolarHBondContact O-N 3.02Å; I339-L341 VanDerWaalsContact C-N 3.34Å; I339-L341 HydrophobicContact CG2-CD1 4.35Å; I339-L341 HydrophobicContact CG2-CD2 4.39Å; I339-L341 HydrophobicContact CG2-CG 3.84Å; I339-L341 PolarHBondContact O-N 3.34Å; I339-L341 VanDerWaalsContact O-N 3.17Å; I339-L347 HydrophobicContact CB-CD1 4.18Å; I339-L347 WeakPolarHBondContact O-CD1 3.43Å; I339-N512 HydrophobicContact CD1-CB 4.11Å; I339-N512 WeakPolarHBondContact CD1-O 3.41Å; I339-H514 WeakPolarHBondContact CD1-CE1 3.43Å
340	F	34.9	Very low	59.4	Low	179 Å²	179	89.7 Å²	89.7	79%	0.785	44%	0.44	S	S	*	.			trans	-82.9	81.7	169.2	-71.7	-86.9	0	0	0	109.3	L338	L338-F340 HydrophobicContact CB-CE2 4.32Å
341	L	35.3	Very low	59.2	Low	113 Å²	113	89.7 Å²	89.7	59%	0.592	44%	0.44	S	S	*	.			trans	-81.6	147	161.8	-68.8	171.4	0	0	0	109.5	I339 E343	I339-L341 VanDerWaalsContact C-N 3.34Å; I339-L341 HydrophobicContact CG2-CD1 4.35Å; I339-L341 HydrophobicContact CG2-CD2 4.39Å; I339-L341 HydrophobicContact CG2-CG 3.84Å; I339-L341 PolarHBondContact O-N 3.34Å; I339-L341 VanDerWaalsContact O-N 3.17Å; L341-E343 PolarHBondContact O-N 3.49Å
342	S	35.3	Very low	59.1	Low	113 Å²	113	89.8 Å²	89.8	79%	0.79	44%	0.441	S	S	*	.	S	Bend	trans	-63.2	129.9	-177.5	36.5	0	0	0	0	112.8	Q344	S342-Q344 VanDerWaalsContact C-N 3.26Å; S342-Q344 PolarHBondContact O-N 3.07Å
343	E	34.7	Very low	59.2	Low	199 Å²	199	88.8 Å²	88.8	93%	0.93	44%	0.435	S	S	*	.	S	Bend	trans	50.6	-15.2	163.8	-59.6	-159.1	141.3	0	0	122.1	L341	L341-E343 PolarHBondContact O-N 3.49Å
344	Q	33.9	Very low	59.5	Low	181 Å²	181	87.9 Å²	87.9	85%	0.846	43%	0.429	S	S	*	.			trans	-122.5	95.5	172.9	-67.8	-163.5	-4.2	0	0	112.8	S342 Q346	S342-Q344 VanDerWaalsContact C-N 3.26Å; S342-Q344 PolarHBondContact O-N 3.07Å; Q344-Q346 PolarHBondContact O-N 3.24Å
345	K	32.7	Very low	59.9	Low	199 Å²	199	87.8 Å²	87.8	87%	0.865	43%	0.429	S	S	*	.			trans	-74.2	118.6	178.1	-69.9	176.1	177.4	173.2	0	112.2
346	Q	38.6	Very low	60.6	Low	200 Å²	200	84.9 Å²	84.9	94%	0.935	41%	0.41	S	S	*	.			trans	-135.6	85.7	137.6	-102.4	-174.8	-4.3	0	0	109.2	Q344	Q344-Q346 PolarHBondContact O-N 3.24Å
347	L	43.8	Very low	61.8	Low	57 Å²	57	79.1 Å²	79.1	30%	0.298	39%	0.388	S	S	.	.			trans	-83.3	137	176	-161.8	78.9	0	0	0	109.5	Q337 L338 I339 Q349	Q337-L347 WeakPolarHBondContact O-CD1 3.39Å; L338-L347 HydrophobicContact CD2-CD2 4.28Å; I339-L347 HydrophobicContact CB-CD1 4.18Å; I339-L347 WeakPolarHBondContact O-CD1 3.43Å; L347-Q349 VanDerWaalsContact C-N 3.28Å; L347-Q349 HydrophobicContact CB-CG 4.41Å; L347-Q349 HydrophobicContact CD2-CG 4.46Å; L347-Q349 PolarHBondContact O-N 3.21Å
348	S	53.8	Low	63.4	Low	19 Å²	19	80 Å²	80	13%	0.133	40%	0.397	C	S	.	.			trans	-69	92.3	158.8	70.6	0	0	0	0	107.9	H350 H514	S348-H350 PolarHBondContact O-N 3.06Å; S348-H350 VanDerWaalsContact O-N 3.1Å; S348-H514 WeakPolarHBondContact CB-NE2 3.48Å; S348-H514 PolarHBondContact OG-NE2 3.39Å
349	Q	66.2	Low	65.8	Low	135 Å²	135	74.7 Å²	74.7	63%	0.631	37%	0.369	S	S	*	.			trans	-66	-11.6	-179.5	-63.3	-168.1	4.2	0	0	113	R336 L347	R336-Q349 VanDerWaalsContact CD-O 3.31Å; R336-Q349 WeakPolarHBondContact CD-O 3.35Å; L347-Q349 VanDerWaalsContact C-N 3.28Å; L347-Q349 HydrophobicContact CB-CG 4.41Å; L347-Q349 HydrophobicContact CD2-CG 4.46Å; L347-Q349 PolarHBondContact O-N 3.21Å
350	H	84	Confident	68.5	Low	52 Å²	52	78.3 Å²	78.3	24%	0.241	38%	0.38	C	S	.	.	S	Bend	trans	-115.2	151.3	-176.4	-53.1	-70.7	0	0	0	110.4	S348 Q366 D368	S348-H350 PolarHBondContact O-N 3.06Å; S348-H350 VanDerWaalsContact O-N 3.1Å; H350-Q366 HydrophobicContact CB-CG 3.71Å; H350-Q366 PolarHBondContact CD2-NE2 2.78Å; H350-D368 HydrophobicContact CB-CB 4.47Å; H350-D368 WeakPolarHBondContact ND1-CA 3.25Å
351	P	88.6	Confident	71.5	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.006	35%	0.345	C	S	.	.			trans	-66.7	156.2	171.7	9	7.2	0	0	0	109.5	Y294 V333 I334 R336 L367	Y294-P351 HydrophobicContact CD1-CG 4.22Å; Y294-P351 HydrophobicContact CE1-CB 3.93Å; Y294-P351 HydrophobicContact CE1-CG 3.39Å; Y294-P351 HydrophobicContact CE2-CB 4.03Å; Y294-P351 HydrophobicContact CE2-CG 4.39Å; Y294-P351 VanDerWaalsContact CZ-CG 3.5Å; V333-P351 HydrophobicContact CG1-CB 4.02Å; I334-P351 WeakPolarHBondContact O-CA 3.43Å; I334-P351 WeakPolarHBondContact O-CB 3.16Å; R336-P351 HydrophobicContact CG-CB 4.28Å; R336-P351 HydrophobicContact CG-CG 3.91Å; P351-L367 HydrophobicContact CB-CB 4.32Å; P351-L367 HydrophobicContact CB-CD1 4.34Å; P351-L367 VanDerWaalsContact CD-O 3.24Å; P351-L367 WeakPolarHBondContact CD-O 3.42Å; P351-L367 HydrophobicContact CG-CB 3.94Å; P351-L367 HydrophobicContact CG-CD1 4.48Å; P351-L367 WeakPolarHBondContact O-CB 3.4Å; P351-L367 PolarHBondContact O-N 3.28Å
352	L	91.4	Very high	74.4	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.4	178.7	-58.4	178.9	0	0	0	109.6	V333 I334 I354 V364 W365 Q366 I375 V530 V531	V333-L352 CarbonylContact C-O 3.59Å; V333-L352 WeakPolarHBondContact CA-O 3.42Å; I334-L352 HydrophobicContact CB-CB 4.42Å; I334-L352 PolarHBondContact N-O 3.32Å; I334-L352 PolarHBondContact O-N 3.4Å; L352-I354 HydrophobicContact CB-CD1 4.49Å; L352-V364 HydrophobicContact CB-CG1 4.18Å; L352-V364 HydrophobicContact CD1-CG1 4.28Å; L352-V364 HydrophobicContact CD2-CG1 4.46Å; L352-W365 WeakPolarHBondContact CA-O 3.41Å; L352-Q366 HydrophobicContact CD2-CB 4.18Å; L352-Q366 HydrophobicContact CD2-CG 4.23Å; L352-I375 HydrophobicContact CD2-CD1 3.75Å; L352-V530 HydrophobicContact CD1-CG2 3.49Å; L352-V530 VanDerWaalsContact CD1-CG2 3.49Å; L352-V531 HydrophobicContact CD1-CG2 4.45Å
353	L	93.7	Very high	77.3	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.6	167.5	168.9	71.8	0	0	0	108.4	I299 I307 L321 M331 V333 V364 W365 L367	I299-L353 HydrophobicContact CD1-CD1 4.33Å; I299-L353 HydrophobicContact CG2-CD1 4.17Å; I299-L353 HydrophobicContact CG2-CD2 3.84Å; I307-L353 HydrophobicContact CD1-CD2 4.49Å; I307-L353 HydrophobicContact CG2-CD2 4.12Å; L321-L353 HydrophobicContact CD1-CD2 4.25Å; M331-L353 HydrophobicContact CB-CD1 4.19Å; M331-L353 HydrophobicContact CG-CD1 4.39Å; M331-L353 HydrophobicContact SD-CD1 4.18Å; V333-L353 HydrophobicContact CG2-CD1 3.95Å; L353-V364 CarbonylContact O-C 3.52Å; L353-V364 WeakPolarHBondContact O-CA 3.34Å; L353-W365 HydrophobicContact CB-CB 4.25Å; L353-W365 HydrophobicContact CD2-CB 4.44Å; L353-W365 HydrophobicContact CD2-CG 4.37Å; L353-W365 PolarHBondContact N-O 2.78Å; L353-W365 PolarHBondContact O-N 2.86Å; L353-L367 HydrophobicContact CB-CD1 4.1Å; L353-L367 HydrophobicContact CB-CD2 3.69Å; L353-L367 HydrophobicContact CB-CG 3.98Å; L353-L367 HydrophobicContact CD2-CD2 4.3Å
354	I	95.1	Very high	80.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.8	169.9	-56.8	87.7	0	0	0	108.2	M331 T332 I334 L352 A362 R363 V364 L388 V516 V530	M331-I354 CarbonylContact C-O 3.5Å; M331-I354 WeakPolarHBondContact CA-O 3.43Å; T332-I354 HydrophobicContact CG2-CB 4.3Å; T332-I354 HydrophobicContact CG2-CD1 4.21Å; T332-I354 PolarHBondContact N-O 3.05Å; T332-I354 PolarHBondContact O-N 3.18Å; I334-I354 HydrophobicContact CB-CD1 4.48Å; I334-I354 HydrophobicContact CD1-CD1 3.61Å; I334-I354 HydrophobicContact CG1-CD1 3.69Å; L352-I354 HydrophobicContact CB-CD1 4.49Å; I354-A362 HydrophobicContact CG2-CB 4.44Å; I354-R363 CarbonylContact C-O 3.52Å; I354-R363 VanDerWaalsContact CA-O 3.25Å; I354-R363 WeakPolarHBondContact CA-O 3.17Å; I354-V364 HydrophobicContact CG1-CG1 4.42Å; I354-V364 HydrophobicContact CG1-CG2 4.22Å; I354-L388 HydrophobicContact CG2-CD2 4.02Å; I354-V516 HydrophobicContact CG2-CG1 4.41Å; I354-V516 HydrophobicContact CG2-CG2 4.43Å; I354-V530 HydrophobicContact CD1-CG1 4.18Å; I354-V530 HydrophobicContact CG1-CG1 3.98Å
355	S	96.4	Very high	83.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.2	176	57	0	0	0	0	111.3	I307 H324 S330 A362 R363 W365	I307-S355 VanDerWaalsContact CD1-CB 3.41Å; I307-S355 WeakPolarHBondContact CD1-OG 3.47Å; H324-S355 PolarHBondContact NE2-OG 2.9Å; S330-S355 CarbonylContact O-C 3.49Å; S330-S355 WeakPolarHBondContact O-CA 3.4Å; S355-A362 CarbonylContact O-C 3.59Å; S355-A362 WeakPolarHBondContact O-CA 3.25Å; S355-A362 WeakPolarHBondContact O-CB 3.49Å; S355-R363 PolarHBondContact N-O 2.64Å; S355-R363 PolarHBondContact O-N 3.47Å; S355-W365 PolarHBondContact OG-NE1 2.86Å
356	G	95.2	Very high	86	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.6	172.2	0	0	0	0	0	111.4	W329 S330	W329-G356 PolarHBondContact N-O 2.74Å; S330-G356 PolarHBondContact N-O 3.14Å; S330-G356 PolarHBondContact O-N 3.28Å
357	S	96.2	Very high	88.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	165.4	-171.3	166.8	0	0	0	0	113.2	H324 G326 G327 D359 R360 T361 V385	H324-S357 VanDerWaalsContact CE1-CB 3.46Å; H324-S357 WeakPolarHBondContact CE1-CB 3.43Å; H324-S357 WeakPolarHBondContact ND1-CB 3.34Å; G326-S357 VanDerWaalsContact C-OG 3.27Å; G326-S357 PolarHBondContact O-OG 3.02Å; G327-S357 CarbonylContact O-C 3.48Å; G327-S357 VanDerWaalsContact O-CA 3.24Å; G327-S357 WeakPolarHBondContact O-CA 3.42Å; G327-S357 WeakPolarHBondContact O-CB 3.33Å; G327-S357 PolarHBondContact O-OG 2.93Å; G327-S357 VanDerWaalsContact O-OG 3.1Å; S357-D359 WeakPolarHBondContact CB-OD1 3.36Å; S357-D359 PolarHBondContact O-N 3.25Å; S357-D359 VanDerWaalsContact OG-CG 3.3Å; S357-D359 PolarHBondContact OG-N 3.32Å; S357-D359 PolarHBondContact OG-OD1 2.89Å; S357-R360 PolarHBondContact O-N 3.48Å; S357-T361 PolarHBondContact N-O 2.8Å; S357-T361 VanDerWaalsContact N-O 3.16Å; S357-V385 PolarHBondContact O-N 3.11Å
358	C	95.5	Very high	90.7	Very high	43 Å²	43	25.6 Å²	25.6	29%	0.291	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.1	165.9	63.7	0	0	0	0	114	G326 G327 R360 T384	G326-C358 VanDerWaalsContact C-SG 3.59Å; G327-C358 PolarHBondContact N-SG 3.43Å; G327-C358 PolarHBondContact O-N 2.92Å; C358-R360 PolarHBondContact O-N 3.26Å; C358-T384 WeakPolarHBondContact CA-OG1 3.3Å; C358-T384 HydrophobicContact CB-CG2 3.99Å; C358-T384 WeakPolarHBondContact CB-OG1 3.35Å
359	D	96	Very high	92.2	Very high	30 Å²	30	26.6 Å²	26.6	16%	0.16	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	7.9	167.8	78.6	3.2	0	0	0	114.4	H324 L325 S357 T361 R363	H324-D359 WeakPolarHBondContact CA-OD2 3.15Å; H324-D359 WeakPolarHBondContact CB-OD2 3.3Å; H324-D359 IonicContact CE1-OD1 2.97Å; H324-D359 IonicContact CG-OD2 3.95Å; H324-D359 IonicContact ND1-OD1 3.65Å; H324-D359 PolarHBondContact ND1-OD1 3.47Å; H324-D359 IonicContact ND1-OD2 3.39Å; H324-D359 PolarHBondContact ND1-OD2 2.97Å; L325-D359 HydrophobicContact CB-CB 4.05Å; L325-D359 PolarHBondContact N-OD2 2.85Å; S357-D359 WeakPolarHBondContact CB-OD1 3.36Å; S357-D359 PolarHBondContact O-N 3.25Å; S357-D359 VanDerWaalsContact OG-CG 3.3Å; S357-D359 PolarHBondContact OG-N 3.32Å; S357-D359 PolarHBondContact OG-OD1 2.89Å; D359-T361 VanDerWaalsContact CG-OG1 3.31Å; D359-T361 PolarHBondContact O-N 2.88Å; D359-T361 WeakPolarHBondContact OD1-CA 3.25Å; D359-T361 WeakPolarHBondContact OD1-CB 3.3Å; D359-T361 PolarHBondContact OD1-N 2.83Å; D359-T361 PolarHBondContact OD1-OG1 2.88Å; D359-T361 PolarHBondContact OD2-OG1 2.83Å; D359-R363 IonicContact OD2-NH2 2.88Å
360	R	97.3	Very high	93.1	Very high	122 Å²	122	27.9 Å²	27.9	46%	0.46	14%	0.141	S	C	.	.	S	Bend	trans	69.2	6.1	178	-43.2	166.5	-174.9	-163.4	-0.9	113.9	S357 C358 Q382	S357-R360 PolarHBondContact O-N 3.48Å; C358-R360 PolarHBondContact O-N 3.26Å; R360-Q382 VanDerWaalsContact CD-O 3.22Å; R360-Q382 WeakPolarHBondContact CD-O 3.38Å; R360-Q382 PolarHBondContact NE-O 2.8Å; R360-Q382 PolarHBondContact NH1-O 2.88Å
361	T	97.5	Very high	93.3	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.049	17%	0.166	C	C	.	.			trans	-106	154.4	176.2	75.2	0	0	0	0	112.1	H324 S357 D359 T377 F379 V385	H324-T361 PolarHBondContact CE1-OG1 2.83Å; H324-T361 PolarHBondContact ND1-OG1 2.82Å; S357-T361 PolarHBondContact N-O 2.8Å; S357-T361 VanDerWaalsContact N-O 3.16Å; D359-T361 VanDerWaalsContact CG-OG1 3.31Å; D359-T361 PolarHBondContact O-N 2.88Å; D359-T361 WeakPolarHBondContact OD1-CA 3.25Å; D359-T361 WeakPolarHBondContact OD1-CB 3.3Å; D359-T361 PolarHBondContact OD1-N 2.83Å; D359-T361 PolarHBondContact OD1-OG1 2.88Å; D359-T361 PolarHBondContact OD2-OG1 2.83Å; T361-T377 HydrophobicContact CG2-CG2 3.82Å; T361-F379 HydrophobicContact CG2-CD1 3.74Å; T361-F379 HydrophobicContact CG2-CE1 3.67Å; T361-V385 WeakPolarHBondContact O-CG2 3.49Å
362	A	96.7	Very high	93.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	152.2	152.7	0	0	0	0	0	109.6	I354 S355 L378 V385 T518	I354-A362 HydrophobicContact CG2-CB 4.44Å; S355-A362 CarbonylContact O-C 3.59Å; S355-A362 WeakPolarHBondContact O-CA 3.25Å; S355-A362 WeakPolarHBondContact O-CB 3.49Å; A362-L378 HydrophobicContact CB-CB 4.13Å; A362-L378 HydrophobicContact CB-CD1 4.04Å; A362-L378 HydrophobicContact CB-CG 4.45Å; A362-L378 PolarHBondContact N-O 3.2Å; A362-L378 WeakPolarHBondContact O-CB 3.41Å; A362-L378 PolarHBondContact O-N 3.18Å; A362-V385 HydrophobicContact CB-CG1 4.48Å; A362-T518 HydrophobicContact CB-CG2 4.02Å
363	R	97	Very high	93.5	Very high	36 Å²	36	38 Å²	38	14%	0.136	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	144.4	-179.9	-71	-179.4	-172.5	-132	6	111.4	G323 H324 I354 S355 D359 W365 A376 T377	G323-R363 VanDerWaalsContact C-NH1 3.29Å; G323-R363 PolarHBondContact O-NH1 2.89Å; G323-R363 VanDerWaalsContact O-NH1 3.11Å; G323-R363 PolarHBondContact O-NH2 3.41Å; H324-R363 PolarHBondContact ND1-NE 2.94Å; I354-R363 CarbonylContact C-O 3.52Å; I354-R363 VanDerWaalsContact CA-O 3.25Å; I354-R363 WeakPolarHBondContact CA-O 3.17Å; S355-R363 PolarHBondContact N-O 2.64Å; S355-R363 PolarHBondContact O-N 3.47Å; D359-R363 IonicContact OD2-NH2 2.88Å; R363-W365 HydrophobicContact CB-CZ2 4.06Å; R363-A376 WeakPolarHBondContact CA-O 3.13Å; R363-T377 HydrophobicContact CG-CG2 3.96Å
364	V	95.4	Very high	93.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.4	178.5	-170.7	0	0	0	0	108.5	L352 L353 I354 C374 I375 A376 L378 V530	L352-V364 HydrophobicContact CB-CG1 4.18Å; L352-V364 HydrophobicContact CD1-CG1 4.28Å; L352-V364 HydrophobicContact CD2-CG1 4.46Å; L353-V364 CarbonylContact O-C 3.52Å; L353-V364 WeakPolarHBondContact O-CA 3.34Å; I354-V364 HydrophobicContact CG1-CG1 4.42Å; I354-V364 HydrophobicContact CG1-CG2 4.22Å; V364-C374 CarbonylContact O-C 3.49Å; V364-C374 WeakPolarHBondContact O-CA 3.28Å; V364-I375 HydrophobicContact CB-CG1 3.95Å; V364-I375 HydrophobicContact CG1-CD1 3.83Å; V364-I375 HydrophobicContact CG1-CG1 3.75Å; V364-I375 WeakPolarHBondContact O-CG1 3.2Å; V364-I375 PolarHBondContact O-N 3.06Å; V364-A376 HydrophobicContact CB-CB 4.16Å; V364-A376 HydrophobicContact CG2-CB 4.1Å; V364-A376 PolarHBondContact N-O 3.04Å; V364-A376 PolarHBondContact O-N 3.01Å; V364-L378 HydrophobicContact CG2-CD1 4.05Å; V364-L378 HydrophobicContact CG2-CD2 4.35Å; V364-L378 HydrophobicContact CG2-CG 4.26Å; V364-V530 HydrophobicContact CG1-CB 4.13Å; V364-V530 HydrophobicContact CG2-CB 3.98Å; V364-V530 HydrophobicContact CG2-CG1 4.36Å
365	W	95.1	Very high	93.4	Very high	9 Å²	9	43.9 Å²	43.9	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.3	-178.4	-45.4	81.1	0	0	0	109.5	I307 L321 L352 L353 S355 R363 P373 C374	I307-W365 HydrophobicContact CD1-CZ2 4.23Å; L321-W365 HydrophobicContact CB-CE3 3.99Å; L321-W365 HydrophobicContact CB-CH2 4.06Å; L321-W365 HydrophobicContact CB-CZ3 3.73Å; L321-W365 HydrophobicContact CD1-CB 4.35Å; L321-W365 HydrophobicContact CD1-CD2 3.94Å; L321-W365 HydrophobicContact CD1-CE3 3.87Å; L321-W365 HydrophobicContact CD1-CG 4.16Å; L321-W365 HydrophobicContact CD1-CZ3 4.48Å; L321-W365 HydrophobicContact CD2-CE3 4.32Å; L321-W365 HydrophobicContact CG-CE3 4.28Å; L321-W365 HydrophobicContact CG-CZ3 4.48Å; L352-W365 WeakPolarHBondContact CA-O 3.41Å; L353-W365 HydrophobicContact CB-CB 4.25Å; L353-W365 HydrophobicContact CD2-CB 4.44Å; L353-W365 HydrophobicContact CD2-CG 4.37Å; L353-W365 PolarHBondContact N-O 2.78Å; L353-W365 PolarHBondContact O-N 2.86Å; S355-W365 PolarHBondContact OG-NE1 2.86Å; R363-W365 HydrophobicContact CB-CZ2 4.06Å; W365-P373 WeakPolarHBondContact CA-O 3.49Å; W365-C374 HydrophobicContact CD2-CB 4.18Å; W365-C374 HydrophobicContact CE3-CB 3.62Å; W365-C374 HydrophobicContact CH2-CB 4.18Å; W365-C374 HydrophobicContact CZ3-CB 3.62Å
366	Q	92.8	Very high	93.2	Very high	50 Å²	50	44.8 Å²	44.8	23%	0.234	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	115.9	178.8	-174.2	179.4	-75.9	0	0	110.2	H350 L352 D368 W372 P373 I375	H350-Q366 HydrophobicContact CB-CG 3.71Å; H350-Q366 PolarHBondContact CD2-NE2 2.78Å; L352-Q366 HydrophobicContact CD2-CB 4.18Å; L352-Q366 HydrophobicContact CD2-CG 4.23Å; Q366-D368 HydrophobicContact CG-CB 4.36Å; Q366-D368 PolarHBondContact O-N 3.16Å; Q366-W372 VanDerWaalsContact O-CA 3.3Å; Q366-W372 WeakPolarHBondContact O-CA 3.36Å; Q366-P373 HydrophobicContact CB-CG 4.11Å; Q366-P373 PolarHBondContact N-O 3.48Å; Q366-I375 HydrophobicContact CB-CG2 3.88Å
367	L	91.1	Very high	93.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.			trans	-82	64.2	-178	-55.2	-172.4	0	0	0	111.9	W297 I299 I309 V333 P351 L353 G369 W372	W297-L367 HydrophobicContact CE3-CD1 4.45Å; W297-L367 HydrophobicContact CZ3-CB 3.85Å; W297-L367 HydrophobicContact CZ3-CD1 4.4Å; I299-L367 HydrophobicContact CD1-CD1 3.89Å; I309-L367 HydrophobicContact CD1-CD2 3.89Å; V333-L367 HydrophobicContact CG1-CD1 3.86Å; V333-L367 HydrophobicContact CG2-CD1 4.27Å; P351-L367 HydrophobicContact CB-CB 4.32Å; P351-L367 HydrophobicContact CB-CD1 4.34Å; P351-L367 VanDerWaalsContact CD-O 3.24Å; P351-L367 WeakPolarHBondContact CD-O 3.42Å; P351-L367 HydrophobicContact CG-CB 3.94Å; P351-L367 HydrophobicContact CG-CD1 4.48Å; P351-L367 WeakPolarHBondContact O-CB 3.4Å; P351-L367 PolarHBondContact O-N 3.28Å; L353-L367 HydrophobicContact CB-CD1 4.1Å; L353-L367 HydrophobicContact CB-CD2 3.69Å; L353-L367 HydrophobicContact CB-CG 3.98Å; L353-L367 HydrophobicContact CD2-CD2 4.3Å; L367-G369 VanDerWaalsContact C-N 3.32Å; L367-G369 PolarHBondContact O-N 2.98Å; L367-W372 HydrophobicContact CB-CE3 4.06Å; L367-W372 HydrophobicContact CB-CZ3 3.79Å; L367-W372 HydrophobicContact CD2-CE3 3.63Å; L367-W372 HydrophobicContact CD2-CZ3 3.77Å; L367-W372 HydrophobicContact CG-CE3 4.45Å; L367-W372 HydrophobicContact CG-CZ3 4.3Å
368	D	88.6	Confident	93.2	Very high	30 Å²	30	46.8 Å²	46.8	16%	0.16	24%	0.236	C	C	.	.			trans	-77.1	-11.7	-172.8	67.7	5.3	0	0	0	115.3	H350 Q366 Q370 R371 W372	H350-D368 HydrophobicContact CB-CB 4.47Å; H350-D368 WeakPolarHBondContact ND1-CA 3.25Å; Q366-D368 HydrophobicContact CG-CB 4.36Å; Q366-D368 PolarHBondContact O-N 3.16Å; D368-Q370 VanDerWaalsContact C-N 3.31Å; D368-Q370 PolarHBondContact OD1-N 3.29Å; D368-R371 PolarHBondContact OD1-N 2.95Å; D368-R371 PolarHBondContact OD2-N 3.19Å; D368-W372 PolarHBondContact OD1-N 3.49Å
369	G	86.8	Confident	93.3	Very high	39 Å²	39	51.7 Å²	51.7	40%	0.402	25%	0.253	S	S	.	.	S	Bend	trans	81.3	3.9	-176.2	0	0	0	0	0	114.5	L367 W372	L367-G369 VanDerWaalsContact C-N 3.32Å; L367-G369 PolarHBondContact O-N 2.98Å; G369-W372 VanDerWaalsContact CA-CZ2 3.46Å
370	Q	85.2	Confident	93.1	Very high	163 Å²	163	51.3 Å²	51.3	76%	0.762	26%	0.256	S	S	*	.	S	Bend	trans	-136.1	-61.9	-174.7	-64.7	-171.5	1.4	0	0	113.6	D368	D368-Q370 VanDerWaalsContact C-N 3.31Å; D368-Q370 PolarHBondContact OD1-N 3.29Å
371	R	87.9	Confident	93	Very high	205 Å²	205	45.8 Å²	45.8	77%	0.774	24%	0.235	S	C	*	.			trans	-108.5	-24.7	-172.3	-65.5	-174.8	178.1	-134.1	0.5	113.3	D368 P373	D368-R371 PolarHBondContact OD1-N 2.95Å; D368-R371 PolarHBondContact OD2-N 3.19Å; R371-P373 VanDerWaalsContact C-CD 3.47Å
372	W	90.8	Very high	92.9	Very high	12 Å²	12	51.3 Å²	51.3	5%	0.045	26%	0.26	C	S	.	.			trans	51.2	42.8	176.7	-44.9	86.7	0	0	0	115	W297 I309 L318 I319 L321 Q366 L367 D368 G369	W297-W372 AromaticContact CD2-CH2 3.75Å; W297-W372 HydrophobicContact CD2-CH2 3.75Å; W297-W372 HydrophobicContact CD2-CZ3 4.29Å; W297-W372 AromaticContact CE2-CH2 3.6Å; W297-W372 AromaticContact CE3-CH2 3.8Å; W297-W372 HydrophobicContact CE3-CH2 3.8Å; W297-W372 AromaticContact CE3-CZ3 3.9Å; W297-W372 HydrophobicContact CE3-CZ3 3.9Å; W297-W372 AromaticContact CH2-CH2 3.57Å; W297-W372 HydrophobicContact CH2-CH2 3.57Å; W297-W372 AromaticContact CH2-CZ3 3.93Å; W297-W372 HydrophobicContact CH2-CZ3 3.93Å; W297-W372 AromaticContact CZ2-CH2 3.52Å; W297-W372 HydrophobicContact CZ2-CH2 3.52Å; W297-W372 HydrophobicContact CZ2-CZ2 4.26Å; W297-W372 HydrophobicContact CZ2-CZ3 4.33Å; W297-W372 AromaticContact CZ3-CH2 3.73Å; W297-W372 HydrophobicContact CZ3-CH2 3.73Å; W297-W372 AromaticContact CZ3-CZ3 3.72Å; W297-W372 HydrophobicContact CZ3-CZ3 3.72Å; I309-W372 HydrophobicContact CD1-CD2 4Å; I309-W372 HydrophobicContact CD1-CE3 3.35Å; I309-W372 HydrophobicContact CD1-CH2 4.22Å; I309-W372 HydrophobicContact CD1-CZ3 3.49Å; I309-W372 VanDerWaalsContact CD1-CZ3 3.49Å; I309-W372 HydrophobicContact CG2-CH2 4.03Å; I309-W372 HydrophobicContact CG2-CZ3 4.25Å; L318-W372 HydrophobicContact CD1-CZ2 4.31Å; I319-W372 HydrophobicContact CD1-CB 4.17Å; I319-W372 HydrophobicContact CD1-CG 4.17Å; I319-W372 HydrophobicContact CG2-CB 4.23Å; I319-W372 HydrophobicContact CG2-CD2 4.05Å; I319-W372 HydrophobicContact CG2-CG 3.75Å; L321-W372 HydrophobicContact CD2-CB 3.58Å; L321-W372 HydrophobicContact CD2-CG 4.47Å; Q366-W372 VanDerWaalsContact O-CA 3.3Å; Q366-W372 WeakPolarHBondContact O-CA 3.36Å; L367-W372 HydrophobicContact CB-CE3 4.06Å; L367-W372 HydrophobicContact CB-CZ3 3.79Å; L367-W372 HydrophobicContact CD2-CE3 3.63Å; L367-W372 HydrophobicContact CD2-CZ3 3.77Å; L367-W372 HydrophobicContact CG-CE3 4.45Å; L367-W372 HydrophobicContact CG-CZ3 4.3Å; D368-W372 PolarHBondContact OD1-N 3.49Å; G369-W372 VanDerWaalsContact CA-CZ2 3.46Å
373	P	93.7	Very high	92.8	Very high	49 Å²	49	52.5 Å²	52.5	32%	0.318	27%	0.269	S	S	.	.			trans	-67.9	143.3	-168.6	29.8	-36	0	0	0	112.2	W365 Q366 R371 I375	W365-P373 WeakPolarHBondContact CA-O 3.49Å; Q366-P373 HydrophobicContact CB-CG 4.11Å; Q366-P373 PolarHBondContact N-O 3.48Å; R371-P373 VanDerWaalsContact C-CD 3.47Å; P373-I375 HydrophobicContact CB-CG2 4.49Å; P373-I375 HydrophobicContact CG-CG2 4.12Å; P373-I375 PolarHBondContact O-N 3.47Å
374	C	94.1	Very high	92.6	Very high	49 Å²	49	51.4 Å²	51.4	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	111.4	159.9	-173	0	0	0	0	108.1	V364 W365 A376	V364-C374 CarbonylContact O-C 3.49Å; V364-C374 WeakPolarHBondContact O-CA 3.28Å; W365-C374 HydrophobicContact CD2-CB 4.18Å; W365-C374 HydrophobicContact CE3-CB 3.62Å; W365-C374 HydrophobicContact CH2-CB 4.18Å; W365-C374 HydrophobicContact CZ3-CB 3.62Å; C374-A376 PolarHBondContact SG-O 3.04Å
375	I	92.1	Very high	92.6	Very high	76 Å²	76	51.4 Å²	51.4	39%	0.39	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-23.7	-177.5	61.7	170.7	0	0	0	113	L352 V364 Q366 P373	L352-I375 HydrophobicContact CD2-CD1 3.75Å; V364-I375 HydrophobicContact CB-CG1 3.95Å; V364-I375 HydrophobicContact CG1-CD1 3.83Å; V364-I375 HydrophobicContact CG1-CG1 3.75Å; V364-I375 WeakPolarHBondContact O-CG1 3.2Å; V364-I375 PolarHBondContact O-N 3.06Å; Q366-I375 HydrophobicContact CB-CG2 3.88Å; P373-I375 HydrophobicContact CB-CG2 4.49Å; P373-I375 HydrophobicContact CG-CG2 4.12Å; P373-I375 PolarHBondContact O-N 3.47Å
376	A	92.4	Very high	92.5	Very high	18 Å²	18	51.2 Å²	51.2	15%	0.149	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	146.8	175.7	0	0	0	0	0	111.6	R363 V364 C374 L378	R363-A376 WeakPolarHBondContact CA-O 3.13Å; V364-A376 HydrophobicContact CB-CB 4.16Å; V364-A376 HydrophobicContact CG2-CB 4.1Å; V364-A376 PolarHBondContact N-O 3.04Å; V364-A376 PolarHBondContact O-N 3.01Å; C374-A376 PolarHBondContact SG-O 3.04Å; A376-L378 HydrophobicContact CB-CD2 4.28Å
377	T	95.9	Very high	92.5	Very high	40 Å²	40	48.9 Å²	48.9	25%	0.245	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.2	164.5	-58.2	0	0	0	0	108	T361 R363 F379	T361-T377 HydrophobicContact CG2-CG2 3.82Å; R363-T377 HydrophobicContact CG-CG2 3.96Å; T377-F379 HydrophobicContact CG2-CD1 4.46Å; T377-F379 HydrophobicContact CG2-CD2 4.15Å; T377-F379 HydrophobicContact CG2-CE1 3.92Å; T377-F379 HydrophobicContact CG2-CE2 3.56Å; T377-F379 HydrophobicContact CG2-CZ 3.43Å; T377-F379 VanDerWaalsContact CG2-CZ 3.43Å; T377-F379 WeakPolarHBondContact O-CD2 3.36Å
378	L	96.1	Very high	92.6	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.2	-172.4	-51.6	-179.3	0	0	0	108.4	A362 V364 A376 W528 G533	A362-L378 HydrophobicContact CB-CB 4.13Å; A362-L378 HydrophobicContact CB-CD1 4.04Å; A362-L378 HydrophobicContact CB-CG 4.45Å; A362-L378 PolarHBondContact N-O 3.2Å; A362-L378 WeakPolarHBondContact O-CB 3.41Å; A362-L378 PolarHBondContact O-N 3.18Å; V364-L378 HydrophobicContact CG2-CD1 4.05Å; V364-L378 HydrophobicContact CG2-CD2 4.35Å; V364-L378 HydrophobicContact CG2-CG 4.26Å; A376-L378 HydrophobicContact CB-CD2 4.28Å; L378-W528 HydrophobicContact CB-CD2 4.03Å; L378-W528 HydrophobicContact CB-CE3 3.8Å; L378-W528 HydrophobicContact CB-CH2 3.97Å; L378-W528 HydrophobicContact CB-CZ2 4.16Å; L378-W528 HydrophobicContact CB-CZ3 3.78Å; L378-W528 HydrophobicContact CD1-CB 4.09Å; L378-W528 HydrophobicContact CD1-CD2 3.98Å; L378-W528 HydrophobicContact CD1-CE3 4.35Å; L378-W528 HydrophobicContact CD1-CG 3.86Å; L378-W528 HydrophobicContact CD2-CD2 4.48Å; L378-W528 HydrophobicContact CD2-CE3 4.06Å; L378-W528 HydrophobicContact CG-CD2 4.38Å; L378-W528 HydrophobicContact CG-CE3 4.27Å; L378-G533 WeakPolarHBondContact CD2-O 3.45Å
379	F	95.7	Very high	92.8	Very high	147 Å²	147	48.3 Å²	48.3	65%	0.645	25%	0.253	S	S	*	.			trans	-100	139.3	-177.6	-64	-84.1	0	0	0	111.7	T361 T377 W528	T361-F379 HydrophobicContact CG2-CD1 3.74Å; T361-F379 HydrophobicContact CG2-CE1 3.67Å; T377-F379 HydrophobicContact CG2-CD1 4.46Å; T377-F379 HydrophobicContact CG2-CD2 4.15Å; T377-F379 HydrophobicContact CG2-CE1 3.92Å; T377-F379 HydrophobicContact CG2-CE2 3.56Å; T377-F379 HydrophobicContact CG2-CZ 3.43Å; T377-F379 VanDerWaalsContact CG2-CZ 3.43Å; T377-F379 WeakPolarHBondContact O-CD2 3.36Å; F379-W528 VanDerWaalsContact O-CH2 3.3Å; F379-W528 WeakPolarHBondContact O-CH2 3.39Å
380	G	93.6	Very high	92.8	Very high	21 Å²	21	47.4 Å²	47.4	22%	0.216	24%	0.24	C	C	.	.			trans	155.6	-26.8	169.7	0	0	0	0	0	114.6	Q382 R526	G380-Q382 PolarHBondContact O-NE2 2.99Å; G380-R526 VanDerWaalsContact C-CZ 3.47Å; G380-R526 PolarHBondContact O-NE 3.26Å; G380-R526 PolarHBondContact O-NH2 3.46Å
381	H	95	Very high	92.5	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.032	21%	0.209	C	C	.	.			trans	-65.1	148.6	169.1	-77.9	-58.4	0	0	0	110.7	V385 T518 S520 D522 T524	H381-V385 HydrophobicContact CB-CG2 4.2Å; H381-T518 PolarHBondContact CD2-OG1 3.41Å; H381-T518 PolarHBondContact NE2-OG1 3.27Å; H381-S520 VanDerWaalsContact CE1-CB 3.46Å; H381-S520 WeakPolarHBondContact CE1-CB 3.46Å; H381-S520 WeakPolarHBondContact ND1-CB 3.32Å; H381-D522 WeakPolarHBondContact CA-OD2 3.19Å; H381-D522 WeakPolarHBondContact CB-OD2 3.43Å; H381-D522 IonicContact CE1-OD1 3.67Å; H381-D522 IonicContact CG-OD2 2.8Å; H381-D522 IonicContact ND1-OD1 3.65Å; H381-D522 PolarHBondContact ND1-OD1 2.85Å; H381-D522 IonicContact ND1-OD2 2.73Å; H381-D522 PolarHBondContact ND1-OD2 2.84Å; H381-T524 PolarHBondContact CE1-O 2.79Å; H381-T524 PolarHBondContact CE1-OG1 2.7Å; H381-T524 VanDerWaalsContact CE1-OG1 3.27Å; H381-T524 PolarHBondContact ND1-OG1 2.85Å
382	Q	95	Very high	91.4	Very high	123 Å²	123	33.7 Å²	33.7	58%	0.575	18%	0.184	S	C	*	.	S	Bend	trans	-106.3	-12.2	-178.4	-58.2	-53.6	-51.8	0	0	112.6	R360 G380 D522	R360-Q382 VanDerWaalsContact CD-O 3.22Å; R360-Q382 WeakPolarHBondContact CD-O 3.38Å; R360-Q382 PolarHBondContact NE-O 2.8Å; R360-Q382 PolarHBondContact NH1-O 2.88Å; G380-Q382 PolarHBondContact O-NE2 2.99Å; Q382-D522 HydrophobicContact CB-CB 4.2Å; Q382-D522 PolarHBondContact N-OD2 3.26Å
383	S	94.3	Very high	89.4	Confident	27 Å²	27	37.4 Å²	37.4	19%	0.189	20%	0.204	C	C	.	.	S	Bend	trans	-138.7	-172.4	173	-170.6	0	0	0	0	110.4	V385 S520 R521	S383-V385 PolarHBondContact O-N 3.4Å; S383-S520 PolarHBondContact O-OG 3.38Å; S383-S520 VanDerWaalsContact O-OG 3.08Å; S383-R521 WeakPolarHBondContact OG-CB 3.39Å
384	T	93.7	Very high	86.6	Confident	12 Å²	12	38.8 Å²	38.8	7%	0.074	21%	0.207	C	C	.	.			trans	-55.7	127.7	-172.1	-64.3	0	0	0	0	113.3	W329 C358 R386 S520 R521	W329-T384 HydrophobicContact CG-CG2 4.37Å; C358-T384 WeakPolarHBondContact CA-OG1 3.3Å; C358-T384 HydrophobicContact CB-CG2 3.99Å; C358-T384 WeakPolarHBondContact CB-OG1 3.35Å; T384-R386 VanDerWaalsContact C-N 3.31Å; T384-R386 PolarHBondContact O-N 3.04Å; T384-S520 VanDerWaalsContact O-CA 3.25Å; T384-S520 WeakPolarHBondContact O-CA 3.33Å; T384-S520 PolarHBondContact O-OG 2.84Å; T384-S520 VanDerWaalsContact O-OG 3.12Å; T384-R521 PolarHBondContact O-N 2.83Å
385	V	95.4	Very high	83.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.217	C	C	.	.			trans	-74	85.3	172.4	-174.6	0	0	0	0	109.7	S330 S357 T361 A362 H381 S383 T518	S330-V385 PolarHBondContact OG-O 3.34Å; S357-V385 PolarHBondContact O-N 3.11Å; T361-V385 WeakPolarHBondContact O-CG2 3.49Å; A362-V385 HydrophobicContact CB-CG1 4.48Å; H381-V385 HydrophobicContact CB-CG2 4.2Å; S383-V385 PolarHBondContact O-N 3.4Å; V385-T518 HydrophobicContact CG1-CG2 3.97Å
386	R	91.9	Very high	80.3	Confident	5 Å²	5	39 Å²	39	2%	0.019	22%	0.216	C	C	.	.			trans	-75.5	-35.9	-166.9	-175	65.5	-161.2	96.4	-21.9	113.5	W329 T384 S404 N405 G519	W329-R386 PolarHBondContact O-NH1 3.42Å; T384-R386 VanDerWaalsContact C-N 3.31Å; T384-R386 PolarHBondContact O-N 3.04Å; R386-S404 PolarHBondContact NH1-OG 2.88Å; R386-S404 PolarHBondContact NH2-O 2.92Å; R386-S404 PolarHBondContact NH2-OG 2.82Å; R386-N405 PolarHBondContact NH2-OD1 3.38Å; R386-G519 PolarHBondContact N-O 2.8Å
387	C	93	Very high	77	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.014	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158.1	-178.7	62.2	0	0	0	0	111.3	G519 V568	C387-G519 PolarHBondContact N-O 3.39Å; C387-G519 PolarHBondContact O-N 2.94Å; C387-V568 HydrophobicContact CB-CG1 4.19Å
388	L	94.5	Very high	73.7	Confident	7 Å²	7	45 Å²	45	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.3	176.7	58.7	74.2	0	0	0	111.1	T332 I354 V516 V517 T518	T332-L388 VanDerWaalsContact CB-CD1 3.42Å; T332-L388 HydrophobicContact CG2-CD1 3.33Å; I354-L388 HydrophobicContact CG2-CD2 4.02Å; L388-V516 HydrophobicContact CB-CG2 4.44Å; L388-V517 CarbonylContact C-O 3.58Å; L388-V517 WeakPolarHBondContact CA-O 3.44Å; L388-V517 WeakPolarHBondContact CB-O 3.31Å; L388-T518 HydrophobicContact CB-CG2 4.11Å
389	A	91	Very high	70.5	Confident	10 Å²	10	45.6 Å²	45.6	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	132.5	175.1	0	0	0	0	0	111.1	V516 V517 V568 F570	A389-V516 WeakPolarHBondContact O-CA 3.36Å; A389-V516 WeakPolarHBondContact O-CG2 3.37Å; A389-V517 HydrophobicContact CB-CG1 3.97Å; A389-V517 PolarHBondContact N-O 3.45Å; A389-V517 PolarHBondContact O-N 3.39Å; A389-V568 HydrophobicContact CB-CG1 4.03Å; A389-F570 HydrophobicContact CB-CB 3.95Å
390	S	87.1	Confident	67.2	Low	20 Å²	20	40.9 Å²	40.9	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	160.3	171	47.8	0	0	0	0	111.6	T332 K392	T332-S390 PolarHBondContact OG1-OG 2.94Å; S390-K392 PolarHBondContact O-N 3.32Å
391	Q	79.1	Confident	64.1	Low	23 Å²	23	40.2 Å²	40.2	11%	0.107	21%	0.214	C	C	.	.			trans	-61.7	105	176.8	178.8	164.1	-1.2	0	0	111.6	L393 F510 L515 F570	Q391-L393 HydrophobicContact CG-CD2 4.13Å; Q391-L393 HydrophobicContact CG-CG 4.3Å; Q391-L393 PolarHBondContact O-N 3.23Å; Q391-F510 PolarHBondContact NE2-O 2.83Å; Q391-L515 HydrophobicContact CB-CB 4.4Å; Q391-L515 PolarHBondContact N-O 2.89Å; Q391-F570 HydrophobicContact CB-CD1 4.07Å; Q391-F570 HydrophobicContact CB-CE1 3.69Å; Q391-F570 HydrophobicContact CB-CZ 4.4Å; Q391-F570 HydrophobicContact CG-CE1 4.41Å
392	K	66.1	Low	60.9	Low	57 Å²	57	41 Å²	41	25%	0.248	22%	0.22	C	C	.	.			trans	-74.3	106.4	167	-62.8	-165.7	-175.7	-167.8	0	109.1	S390 H394 K398 F399 F570	S390-K392 PolarHBondContact O-N 3.32Å; K392-H394 PolarHBondContact O-N 3.11Å; K392-K398 PolarHBondContact NZ-O 3.03Å; K392-F399 HydrophobicContact CD-CE1 4.43Å; K392-F570 PolarHBondContact N-O 2.96Å
393	L	47.2	Very low	57.7	Low	90 Å²	90	36.2 Å²	36.2	47%	0.471	20%	0.198	S	C	.	.			trans	-72	-10.6	178.7	-74.5	167.8	0	0	0	113.9	Q391	Q391-L393 HydrophobicContact CG-CD2 4.13Å; Q391-L393 HydrophobicContact CG-CG 4.3Å; Q391-L393 PolarHBondContact O-N 3.23Å
394	H	35.2	Very low	54.5	Low	79 Å²	79	35.1 Å²	35.1	37%	0.366	19%	0.191	S	C	.	.	S	Bend	trans	-141.1	152.6	179.4	-61.2	-73.1	0	0	0	112.5	L193 K392 S396	L193-H394 WeakPolarHBondContact CD2-NE2 3.46Å; K392-H394 PolarHBondContact O-N 3.11Å; H394-S396 PolarHBondContact O-N 3.43Å; H394-S396 VanDerWaalsContact O-N 3.11Å
395	S	27.9	Very low	51.4	Low	78 Å²	78	36.2 Å²	36.2	55%	0.545	20%	0.196	S	C	.	.			trans	-72.4	12.3	179.4	50.9	0	0	0	0	115.1	P397	S395-P397 WeakPolarHBondContact O-CD 3.25Å
396	S	25.6	Very low	48.1	Very low	52 Å²	52	37.7 Å²	37.7	36%	0.364	21%	0.206	S	C	.	.			trans	-75	121.9	-178.9	62.4	0	0	0	0	110.1	E189 H394 K398	E189-S396 WeakPolarHBondContact OE1-CA 3.47Å; E189-S396 WeakPolarHBondContact OE1-CB 3.36Å; E189-S396 PolarHBondContact OE1-N 3.35Å; H394-S396 PolarHBondContact O-N 3.43Å; H394-S396 VanDerWaalsContact O-N 3.11Å; S396-K398 PolarHBondContact O-N 2.86Å
397	P	24.8	Very low	45.1	Very low	23 Å²	23	40.8 Å²	40.8	15%	0.149	22%	0.218	C	C	.	.			trans	-83.6	61.6	-168.7	33.4	-36.2	0	0	0	112.6	S395 F399 F650	S395-P397 WeakPolarHBondContact O-CD 3.25Å; P397-F399 VanDerWaalsContact CA-CE2 3.49Å; P397-F399 HydrophobicContact CB-CD2 3.72Å; P397-F399 HydrophobicContact CB-CE2 3.41Å; P397-F399 VanDerWaalsContact CB-CE2 3.41Å; P397-F399 PolarHBondContact O-N 3.33Å; P397-F650 HydrophobicContact CB-CB 4.49Å; P397-F650 HydrophobicContact CB-CD1 3.35Å; P397-F650 HydrophobicContact CB-CE1 3.91Å; P397-F650 HydrophobicContact CB-CG 4.28Å; P397-F650 HydrophobicContact CG-CD1 3.67Å; P397-F650 HydrophobicContact CG-CE1 3.81Å
398	K	26	Very low	42	Very low	160 Å²	160	47.5 Å²	47.5	70%	0.696	25%	0.247	S	C	*	.			trans	-82.5	93.7	157.2	-68	-166.8	179	-173.4	0	107.8	K392 S396	K392-K398 PolarHBondContact NZ-O 3.03Å; S396-K398 PolarHBondContact O-N 2.86Å
399	F	27.5	Very low	38.8	Very low	14 Å²	14	55.6 Å²	55.6	6%	0.061	28%	0.277	C	S	.	.			trans	-112.4	111.8	171.3	-59.8	-79.9	0	0	0	109.4	K392 P397 L609 F610	K392-F399 HydrophobicContact CD-CE1 4.43Å; P397-F399 VanDerWaalsContact CA-CE2 3.49Å; P397-F399 HydrophobicContact CB-CD2 3.72Å; P397-F399 HydrophobicContact CB-CE2 3.41Å; P397-F399 VanDerWaalsContact CB-CE2 3.41Å; P397-F399 PolarHBondContact O-N 3.33Å; F399-L609 HydrophobicContact CB-CD1 4.21Å; F399-L609 HydrophobicContact CB-CD2 3.48Å; F399-L609 VanDerWaalsContact CB-CD2 3.48Å; F399-L609 HydrophobicContact CB-CG 4.35Å; F399-L609 HydrophobicContact CD1-CB 4.36Å; F399-L609 HydrophobicContact CD1-CD2 4.11Å; F399-L609 HydrophobicContact CD2-CB 4.3Å; F399-L609 HydrophobicContact CD2-CD1 4.16Å; F399-L609 HydrophobicContact CD2-CD2 4.45Å; F399-L609 HydrophobicContact CE2-CB 4.5Å; F399-L609 HydrophobicContact CG-CB 4.25Å; F399-L609 HydrophobicContact CG-CD1 4.3Å; F399-L609 HydrophobicContact CG-CD2 3.79Å; F399-L609 HydrophobicContact CG-CG 4.34Å; F399-F610 VanDerWaalsContact CE1-O 3.28Å; F399-F610 WeakPolarHBondContact CE1-O 3.45Å; F399-F610 WeakPolarHBondContact CZ-O 3.23Å
400	V	27.1	Very low	35.7	Very low	49 Å²	49	59.2 Å²	59.2	30%	0.297	30%	0.302	S	S	.	.			trans	-108.5	124.6	155.3	-173	0	0	0	0	104.4	E647	V400-E647 WeakPolarHBondContact CG1-OE1 3.33Å
401	V	28.4	Very low	32.7	Very low	6 Å²	6	64.3 Å²	64.3	4%	0.036	33%	0.333	C	S	.	.			trans	-85.9	131.3	179.5	-179.9	0	0	0	0	107.7	N403 T607 L609 E647 R737	V401-N403 PolarHBondContact O-N 3.34Å; V401-T607 HydrophobicContact CG1-CG2 4.46Å; V401-L609 HydrophobicContact CG2-CD2 3.52Å; V401-E647 HydrophobicContact CB-CG 4.28Å; V401-E647 PolarHBondContact N-OE1 3.11Å; V401-R737 VanDerWaalsContact C-NH2 3.29Å; V401-R737 PolarHBondContact O-NH2 2.91Å
402	T	27.2	Very low	30.3	Very low	23 Å²	23	70.7 Å²	70.7	14%	0.141	37%	0.367	C	S	.	.			trans	-75.3	73.9	173.7	43.6	0	0	0	0	110.4	R737	T402-R737 VanDerWaalsContact CA-NH2 3.35Å
403	N	29.3	Very low	28.3	Very low	23 Å²	23	73.8 Å²	73.8	12%	0.123	39%	0.391	C	S	.	.			trans	-96.9	125.5	166.3	-95.7	-0.1	0	0	0	111.1	V401 R566 Y606 T607 S646	V401-N403 PolarHBondContact O-N 3.34Å; N403-R566 PolarHBondContact OD1-NH1 3.16Å; N403-R566 PolarHBondContact OD1-NH2 3.25Å; N403-Y606 PolarHBondContact ND2-O 3.26Å; N403-T607 WeakPolarHBondContact ND2-CG2 3.37Å; N403-S646 PolarHBondContact ND2-O 3.44Å
404	S	27.1	Very low	27.3	Very low	5 Å²	5	80.4 Å²	80.4	4%	0.035	41%	0.411	C	S	.	.			trans	-135	69.3	-173.7	51.1	0	0	0	0	109.6	T289 W329 R386	T289-S404 WeakPolarHBondContact O-CA 3.25Å; T289-S404 WeakPolarHBondContact O-CB 3.33Å; W329-S404 VanDerWaalsContact CZ3-O 3.28Å; W329-S404 WeakPolarHBondContact CZ3-O 3.47Å; W329-S404 PolarHBondContact O-OG 3.31Å; R386-S404 PolarHBondContact NH1-OG 2.88Å; R386-S404 PolarHBondContact NH2-O 2.92Å; R386-S404 PolarHBondContact NH2-OG 2.82Å
405	N	27.9	Very low	26.7	Very low	34 Å²	34	81 Å²	81	18%	0.182	42%	0.424	C	S	.	.			trans	-119	142.5	-175.9	-91.7	41.5	0	0	0	112.9	R386 Y407 R566	R386-N405 PolarHBondContact NH2-OD1 3.38Å; N405-Y407 HydrophobicContact CB-CD2 4.13Å; N405-Y407 HydrophobicContact CB-CE2 3.47Å; N405-Y407 VanDerWaalsContact CB-CE2 3.47Å; N405-Y407 PolarHBondContact ND2-OH 3.27Å; N405-R566 PolarHBondContact OD1-NH2 3.04Å
406	C	26.5	Very low	26.7	Very low	32 Å²	32	84.9 Å²	84.9	22%	0.216	44%	0.439	C	S	.	.			trans	-162.2	49.1	-155.9	-80.3	0	0	0	0	115.7	V287 R752	V287-C406 HydrophobicContact CG1-CB 4.02Å; V287-C406 WeakPolarHBondContact CG1-SG 3.42Å; C406-R752 VanDerWaalsContact CA-CZ 3.48Å; C406-R752 VanDerWaalsContact CA-NH2 3.3Å; C406-R752 VanDerWaalsContact CB-NH2 3.27Å; C406-R752 WeakPolarHBondContact O-CD 3.31Å; C406-R752 PolarHBondContact O-NE 3.22Å; C406-R752 PolarHBondContact SG-NH2 3Å
407	Y	28.7	Very low	27	Very low	69 Å²	69	89.2 Å²	89.2	27%	0.271	46%	0.458	S	S	.	.				50.8	63.9	95.5	-56.8	-49.2	0	0	0	118.3	N405 T450 R752	N405-Y407 HydrophobicContact CB-CD2 4.13Å; N405-Y407 HydrophobicContact CB-CE2 3.47Å; N405-Y407 VanDerWaalsContact CB-CE2 3.47Å; N405-Y407 PolarHBondContact ND2-OH 3.27Å; Y407-T450 HydrophobicContact CD1-CG2 3.96Å; Y407-R752 VanDerWaalsContact O-CD 3.24Å; Y407-R752 WeakPolarHBondContact O-CD 3.41Å; Y407-R752 VanDerWaalsContact O-CZ 3.26Å; Y407-R752 PolarHBondContact O-NE 2.62Å; Y407-R752 PolarHBondContact O-NH1 3.35Å
408	K	27.2	Very low	27	Very low	144 Å²	144	95.3 Å²	95.3	63%	0.626	49%	0.489	S	S	*	.			trans	-79.1	168.9	167.4	-124	168.9	-175.3	174.2	0	111.4	R752	K408-R752 HydrophobicContact CG-CB 4.08Å
409	R	27.4	Very low	27.3	Very low	177 Å²	177	95.3 Å²	95.3	67%	0.668	50%	0.497	S	S	*	.			trans	-135.3	120.4	173	-168.3	-175.1	-167.4	-167.3	4.3	109.4	F454	R409-F454 HydrophobicContact CG-CD2 4.46Å; R409-F454 VanDerWaalsContact NH2-CD1 3.32Å
410	S	26.5	Very low	27.3	Very low	86 Å²	86	102 Å²	102	60%	0.601	53%	0.533	S	S	*	.			trans	-137.7	145.1	158.2	59.8	0	0	0	0	109.8
411	T	24.4	Very low	27.3	Very low	127 Å²	127	104.4 Å²	104.4	78%	0.779	55%	0.552	S	S	*	*			trans	-70.6	135.7	176.5	44.9	0	0	0	0	110.7
412	D	28.1	Very low	27.3	Very low	157 Å²	157	111.1 Å²	111.1	84%	0.84	59%	0.586	S	S	*	*			trans	-154.5	151.1	143.2	-93.1	-39.6	0	0	0	110.3
413	V	23.9	Very low	27.4	Very low	122 Å²	122	116.5 Å²	116.5	74%	0.739	62%	0.615	S	S	*	*			trans	-106.6	127.5	-165.5	173.7	0	0	0	0	110.4
414	Y	27.5	Very low	27.2	Very low	229 Å²	229	122 Å²	122	90%	0.898	64%	0.644	S	S	*	*			trans	-134.2	122.3	155.7	-81.7	-73.9	0	0	0	111.9
415	S	22.5	Very low	27.2	Very low	92 Å²	92	128.3 Å²	128.3	64%	0.643	68%	0.677	S	S	*	*			trans	-73.5	146.3	166.6	49.7	0	0	0	0	110.7
416	N	27.7	Very low	27.2	Very low	158 Å²	158	132.6 Å²	132.6	85%	0.845	71%	0.705	S	S	*	*				-152.4	146.7	129.7	-113.1	-1.1	0	0	0	111
417	D	30.7	Very low	27.1	Very low	144 Å²	144	135.4 Å²	135.4	77%	0.77	73%	0.73	S	S	*	*			trans	-73.3	151	-164.9	-62.7	-69.9	0	0	0	114
418	N	26.4	Very low	27	Very low	151 Å²	151	138.9 Å²	138.9	81%	0.807	75%	0.754	S	S	*	*			trans	-65.3	137.4	160.4	-63	-43.3	0	0	0	109.3
419	N	30.7	Very low	27	Very low	159 Å²	159	140.9 Å²	140.9	85%	0.85	77%	0.765	S	S	*	*			trans	-147.9	130.8	137.7	-93.8	-47.2	0	0	0	109.3
420	D	27.8	Very low	26.8	Very low	154 Å²	154	138.2 Å²	138.2	82%	0.824	77%	0.768	S	S	*	*			trans	-64.1	140.5	174.4	-57	-75	0	0	0	110.9
421	S	27.6	Very low	26.8	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	77%	0.769	S	S	*	*				167.8	128	121.4	61.4	0	0	0	0	113.7
422	I	28.5	Very low	26.9	Very low	146 Å²	146	140.1 Å²	140.1	75%	0.749	77%	0.766	S	S	*	*				73.6	119.4	127.5	-64.4	174.4	0	0	0	119.2
423	D	28.1	Very low	26.9	Very low	137 Å²	137	138.3 Å²	138.3	73%	0.733	76%	0.756	S	S	*	*			trans	67.6	116.4	146.6	-58.1	-3.7	0	0	0	123
424	D	26.5	Very low	27.3	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	75%	0.747	S	S	*	*				66.6	137.3	127.7	-84.3	-2.7	0	0	0	123.7
425	N	27.4	Very low	27.4	Very low	137 Å²	137	133.3 Å²	133.3	73%	0.733	74%	0.741	S	S	*	*			trans	94.5	137.9	148.5	-68.4	-46.9	0	0	0	121.5
426	T	27.3	Very low	27.8	Very low	123 Å²	123	134.5 Å²	134.5	76%	0.755	74%	0.74	S	S	*	*			trans	67.8	97.2	162.8	49.9	0	0	0	0	118.2	N428	T426-N428 PolarHBondContact O-N 3.19Å
427	A	25	Very low	27.9	Very low	92 Å²	92	135.9 Å²	135.9	76%	0.76	74%	0.741	S	S	*	*			trans	-55.2	123.3	158.4	0	0	0	0	0	111.4
428	N	26.2	Very low	27.6	Very low	142 Å²	142	137.6 Å²	137.6	76%	0.759	75%	0.751	S	S	*	*			trans	-127.1	104.6	157.3	-89.3	-43.1	0	0	0	107.7	T426 T430	T426-N428 PolarHBondContact O-N 3.19Å; N428-T430 VanDerWaalsContact C-N 3.31Å; N428-T430 PolarHBondContact O-N 3.4Å
429	H	26	Very low	27.6	Very low	185 Å²	185	133 Å²	133	86%	0.856	74%	0.739	S	S	*	*			trans	-69.7	88	169.7	-85.9	-76.1	0	0	0	109.3	I431	H429-I431 PolarHBondContact O-N 3.25Å; H429-I431 VanDerWaalsContact O-N 3.14Å
430	T	24.8	Very low	27.4	Very low	121 Å²	121	133 Å²	133	74%	0.742	74%	0.744	S	S	*	*			trans	-73	99.7	161.2	19.4	0	0	0	0	108.6	N428 N432	N428-T430 VanDerWaalsContact C-N 3.31Å; N428-T430 PolarHBondContact O-N 3.4Å; T430-N432 PolarHBondContact O-N 2.61Å
431	I	26.4	Very low	27.3	Very low	120 Å²	120	128.2 Å²	128.2	62%	0.615	73%	0.732	S	S	*	*			trans	-68.2	105.4	164.6	-59.6	170.2	0	0	0	106	H429 N433	H429-I431 PolarHBondContact O-N 3.25Å; H429-I431 VanDerWaalsContact O-N 3.14Å; I431-N433 VanDerWaalsContact C-N 3.33Å; I431-N433 WeakPolarHBondContact CG2-OD1 3.28Å; I431-N433 PolarHBondContact O-N 3.28Å
432	N	26.8	Very low	27.5	Very low	133 Å²	133	130 Å²	130	71%	0.711	73%	0.733	S	S	*	*			trans	-68.2	98	168.1	-76.8	2.4	0	0	0	107.7	T430 D434	T430-N432 PolarHBondContact O-N 2.61Å; N432-D434 PolarHBondContact O-N 3.22Å
433	N	26.5	Very low	27.7	Very low	120 Å²	120	125 Å²	125	64%	0.642	71%	0.708	S	S	*	*			trans	-77.8	94.9	166.4	-63.1	-45.8	0	0	0	107.1	I431 N435	I431-N433 VanDerWaalsContact C-N 3.33Å; I431-N433 WeakPolarHBondContact CG2-OD1 3.28Å; I431-N433 PolarHBondContact O-N 3.28Å; N433-N435 VanDerWaalsContact C-N 3.31Å; N433-N435 PolarHBondContact O-N 3.35Å
434	D	32.6	Very low	27.8	Very low	103 Å²	103	123.4 Å²	123.4	55%	0.551	70%	0.7	S	S	*	*			trans	-69.9	95.7	164.9	-61.2	-30.5	0	0	0	107	N432 D436	N432-D434 PolarHBondContact O-N 3.22Å; D434-D436 PolarHBondContact O-N 3.16Å
435	N	29.4	Very low	28	Very low	142 Å²	142	118.2 Å²	118.2	76%	0.759	67%	0.674	S	S	*	*			trans	-80.9	106.7	172	-66.2	-47.5	0	0	0	107.7	N433 E437	N433-N435 VanDerWaalsContact C-N 3.31Å; N433-N435 PolarHBondContact O-N 3.35Å; N435-E437 PolarHBondContact O-N 2.83Å; N435-E437 VanDerWaalsContact O-N 3.14Å
436	D	32.3	Very low	28.3	Very low	118 Å²	118	113.1 Å²	113.1	63%	0.631	65%	0.647	S	S	*	*			trans	-66.5	108.4	173.7	-59.8	-43.9	0	0	0	109.7	D434	D434-D436 PolarHBondContact O-N 3.16Å
437	E	28.6	Very low	28.4	Very low	186 Å²	186	111.2 Å²	111.2	87%	0.869	63%	0.628	S	S	*	*			trans	-75.9	144.5	167.2	-76.6	-166.1	159.2	0	0	110.7	N435 G439	N435-E437 PolarHBondContact O-N 2.83Å; N435-E437 VanDerWaalsContact O-N 3.14Å; E437-G439 PolarHBondContact O-N 3.2Å
438	D	25.7	Very low	28.5	Very low	181 Å²	181	113.3 Å²	113.3	97%	0.968	62%	0.622	S	S	*	*	S	Bend	trans	-56.7	100.5	-172.6	-68.3	-69.2	0	0	0	114
439	G	26.3	Very low	28.6	Very low	55 Å²	55	108.5 Å²	108.5	57%	0.567	60%	0.596	S	S	*	*			trans	-146.8	133.2	176.9	0	0	0	0	0	112.9	E437 G441	E437-G439 PolarHBondContact O-N 3.2Å; G439-G441 PolarHBondContact O-N 3.1Å
440	V	26.1	Very low	28.7	Very low	157 Å²	157	101.8 Å²	101.8	95%	0.952	57%	0.568	S	S	*	*	S	Bend	trans	-77.8	88.9	171.6	-179.9	0	0	0	0	108.6
441	G	25.7	Very low	28.7	Very low	55 Å²	55	101.7 Å²	101.7	57%	0.567	56%	0.559	S	S	*	*	S	Bend	trans	-171.4	147.5	177.7	0	0	0	0	0	112.2	G439 D443	G439-G441 PolarHBondContact O-N 3.1Å; G441-D443 PolarHBondContact O-N 3.32Å
442	D	31.6	Very low	28.6	Very low	137 Å²	137	102.6 Å²	102.6	73%	0.733	57%	0.565	S	S	*	*			trans	-58.7	115.4	-175.6	-59.9	-65.1	0	0	0	112.9	D444 K447	D442-D444 PolarHBondContact O-N 2.81Å; D442-K447 WeakPolarHBondContact O-CE 3.48Å; D442-K447 PolarHBondContact O-NZ 3.41Å
443	D	31.7	Very low	28.6	Very low	41 Å²	41	101 Å²	101	22%	0.219	56%	0.555	C	S	.	*			trans	-50.5	127.3	-178.1	-51.1	-36.6	0	0	0	113.2	G441 S445 R521	G441-D443 PolarHBondContact O-N 3.32Å; D443-S445 PolarHBondContact O-N 3.17Å; D443-S445 VanDerWaalsContact O-N 3.15Å; D443-R521 IonicContact OD2-CZ 3.61Å; D443-R521 IonicContact OD2-NH1 3.97Å; D443-R521 PolarHBondContact OD2-NH1 2.89Å
444	D	30.9	Very low	28.6	Very low	105 Å²	105	101.3 Å²	101.3	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-63.3	-15.6	177.2	-75.3	-80.7	0	0	0	114.2	D442 D446 K447 E448	D442-D444 PolarHBondContact O-N 2.81Å; D444-D446 PolarHBondContact O-N 2.8Å; D444-K447 HydrophobicContact CB-CD 4.48Å; D444-K447 WeakPolarHBondContact O-CA 3.24Å; D444-K447 VanDerWaalsContact O-CB 3.29Å; D444-K447 WeakPolarHBondContact O-CB 3.21Å; D444-K447 PolarHBondContact O-N 2.85Å; D444-K447 VanDerWaalsContact OD1-CD 3.24Å; D444-K447 WeakPolarHBondContact OD1-CD 3.39Å; D444-K447 WeakPolarHBondContact OD1-CE 3.49Å; D444-K447 IonicContact OD1-NZ 2.87Å; D444-K447 PolarHBondContact OD1-NZ 2.93Å; D444-K447 IonicContact OD2-NZ 3.43Å; D444-K447 PolarHBondContact OD2-NZ 2.91Å; D444-E448 PolarHBondContact O-N 2.98Å
445	S	30.3	Very low	28.1	Very low	30 Å²	30	104 Å²	104	21%	0.21	57%	0.565	C	S	.	*	H	α-helix	trans	-73.4	-18.6	-176.7	65.2	0	0	0	0	115.3	D443 R604	D443-S445 PolarHBondContact O-N 3.17Å; D443-S445 VanDerWaalsContact O-N 3.15Å; S445-R604 PolarHBondContact O-NH1 3.11Å
446	D	34.9	Very low	27.9	Very low	30 Å²	30	105 Å²	105	16%	0.16	57%	0.57	C	S	.	*	H	α-helix	trans	-91.2	-17.5	162.6	-97.3	-3.2	0	0	0	111.2	D444 T450 R521 Y580	D444-D446 PolarHBondContact O-N 2.8Å; D446-T450 WeakPolarHBondContact O-CG2 3.4Å; D446-T450 PolarHBondContact O-N 3.06Å; D446-R521 IonicContact OD2-CZ 2.85Å; D446-R521 IonicContact OD2-NH2 3.8Å; D446-R521 PolarHBondContact OD2-NH2 3.46Å; D446-Y580 PolarHBondContact OD1-OH 3.08Å
447	K	29.2	Very low	27.6	Very low	83 Å²	83	108.6 Å²	108.6	36%	0.361	58%	0.583	S	S	.	*	H	α-helix	trans	-70.5	-44.2	174.7	-57	-178.5	-143.2	151.7	0	111.2	D442 D444 L449 T450 H451	D442-K447 WeakPolarHBondContact O-CE 3.48Å; D442-K447 PolarHBondContact O-NZ 3.41Å; D444-K447 HydrophobicContact CB-CD 4.48Å; D444-K447 WeakPolarHBondContact O-CA 3.24Å; D444-K447 VanDerWaalsContact O-CB 3.29Å; D444-K447 WeakPolarHBondContact O-CB 3.21Å; D444-K447 PolarHBondContact O-N 2.85Å; D444-K447 VanDerWaalsContact OD1-CD 3.24Å; D444-K447 WeakPolarHBondContact OD1-CD 3.39Å; D444-K447 WeakPolarHBondContact OD1-CE 3.49Å; D444-K447 IonicContact OD1-NZ 2.87Å; D444-K447 PolarHBondContact OD1-NZ 2.93Å; D444-K447 IonicContact OD2-NZ 3.43Å; D444-K447 PolarHBondContact OD2-NZ 2.91Å; K447-L449 PolarHBondContact O-N 3.38Å; K447-T450 PolarHBondContact O-N 2.8Å; K447-T450 PolarHBondContact O-OG1 2.92Å; K447-H451 PolarHBondContact O-CD2 2.95Å
448	E	26.3	Very low	27.4	Very low	135 Å²	135	108.7 Å²	108.7	63%	0.631	58%	0.584	S	S	*	*	H	α-helix	trans	-58.5	-34	175.9	-70.9	-158.5	139	0	0	113.4	D444 T450 H451	D444-E448 PolarHBondContact O-N 2.98Å; E448-T450 VanDerWaalsContact C-N 3.29Å; E448-T450 PolarHBondContact O-N 3.45Å; E448-H451 PolarHBondContact O-N 2.89Å
449	L	28.4	Very low	27.5	Very low	42 Å²	42	106.9 Å²	106.9	22%	0.22	58%	0.58	C	S	.	*	H	α-helix	trans	-76.6	-12.9	175.3	-74.4	165.6	0	0	0	113.9	K447 Y606 L620	K447-L449 PolarHBondContact O-N 3.38Å; L449-Y606 WeakPolarHBondContact CD1-OH 3.3Å; L449-L620 HydrophobicContact CD2-CD2 3.72Å
450	T	27.8	Very low	27.3	Very low	43 Å²	43	111.4 Å²	111.4	26%	0.264	59%	0.59	S	S	.	*	H	α-helix	trans	-83.1	-13.9	170.1	62.8	0	0	0	0	114	Y407 D446 K447 E448	Y407-T450 HydrophobicContact CD1-CG2 3.96Å; D446-T450 WeakPolarHBondContact O-CG2 3.4Å; D446-T450 PolarHBondContact O-N 3.06Å; K447-T450 PolarHBondContact O-N 2.8Å; K447-T450 PolarHBondContact O-OG1 2.92Å; E448-T450 VanDerWaalsContact C-N 3.29Å; E448-T450 PolarHBondContact O-N 3.45Å
451	H	25.1	Very low	27.6	Very low	120 Å²	120	112 Å²	112	56%	0.556	58%	0.582	S	S	*	*	H	α-helix	trans	-90.1	-19	-172.4	-91.6	-83.6	0	0	0	115.7	K447 E448	K447-H451 PolarHBondContact O-CD2 2.95Å; E448-H451 PolarHBondContact O-N 2.89Å
452	N	25.5	Very low	27.6	Very low	138 Å²	138	113.5 Å²	113.5	74%	0.738	58%	0.584	S	S	*	*			trans	-110.7	75.6	-167	-76.5	-45.2	0	0	0	114.5
453	M	26.1	Very low	27.5	Very low	100 Å²	100	114.9 Å²	114.9	49%	0.493	59%	0.586	S	S	.	*	S	Bend	trans	-167.3	43	155.4	-99.4	-144.4	-53.9	0	0	115.1	S643 A662	M453-S643 PolarHBondContact SD-OG 3.23Å; M453-A662 HydrophobicContact CE-CB 3.23Å; M453-A662 WeakPolarHBondContact CE-O 3.33Å; M453-A662 HydrophobicContact SD-CB 4.36Å
454	F	25.6	Very low	27.4	Very low	127 Å²	127	120.1 Å²	120.1	56%	0.557	61%	0.613	S	S	*	*			trans	-138.6	93	163.8	-81.7	-75.6	0	0	0	111.1	R409	R409-F454 HydrophobicContact CG-CD2 4.46Å; R409-F454 VanDerWaalsContact NH2-CD1 3.32Å
455	N	23.4	Very low	27.3	Very low	160 Å²	160	119.9 Å²	119.9	86%	0.856	62%	0.62	S	S	*	*			trans	-149.5	97	161.7	-114.4	-18.2	0	0	0	110.9
456	N	24	Very low	27.2	Very low	162 Å²	162	125.3 Å²	125.3	87%	0.866	65%	0.652	S	S	*	*			trans	-169.6	65.3	162.6	-111.6	-19.7	0	0	0	111.3
457	Q	27	Very low	27	Very low	194 Å²	194	129.2 Å²	129.2	91%	0.907	68%	0.679	S	S	*	*			trans	-173.5	134.8	147.1	-105.2	159.5	41.8	0	0	110.7
458	Q	23.3	Very low	26.8	Very low	188 Å²	188	134.4 Å²	134.4	88%	0.879	70%	0.702	S	S	*	*			trans	-80.3	139.7	179.8	-61.8	160.8	-30.2	0	0	111
459	T	27.9	Very low	27	Very low	143 Å²	143	135 Å²	135	88%	0.877	72%	0.715	S	S	*	*			trans	-163.7	145	144.8	15.4	0	0	0	0	110.5
460	L	23.4	Very low	26.8	Very low	149 Å²	149	138.8 Å²	138.8	78%	0.78	74%	0.74	S	S	*	*			trans	-86.7	151.7	-175.1	-63.7	80.9	0	0	0	112.1
461	H	30.9	Very low	26.8	Very low	170 Å²	170	141.4 Å²	141.4	79%	0.787	76%	0.76	S	S	*	*				162.5	93.7	122.4	-86.4	-66.9	0	0	0	114.9
462	S	26.2	Very low	27.1	Very low	87 Å²	87	143.7 Å²	143.7	61%	0.608	78%	0.776	S	S	*	*				44.8	135.9	124.6	66.8	0	0	0	0	125.1
463	H	29.5	Very low	27.1	Very low	166 Å²	166	143.6 Å²	143.6	77%	0.769	77%	0.774	S	S	*	*			trans	74.7	140.2	157.3	-63.9	-66.3	0	0	0	118.4
464	D	30.1	Very low	27.3	Very low	150 Å²	150	148.1 Å²	148.1	80%	0.802	79%	0.794	S	S	*	*			cis	-152.5	177.8	6	-114.7	-17.3	0	0	0	113.6
465	S	27.7	Very low	27.4	Very low	101 Å²	101	149.6 Å²	149.6	71%	0.706	80%	0.802	S	S	*	*			trans	-109.1	162.5	-164.3	64.6	0	0	0	0	116.8
466	T	29.2	Very low	27.5	Very low	143 Å²	143	147.1 Å²	147.1	88%	0.877	79%	0.793	S	S	*	*			trans	-177.9	145	137.4	19.8	0	0	0	0	113.8
467	P	30.6	Very low	27.8	Very low	112 Å²	112	146.2 Å²	146.2	73%	0.727	79%	0.788	S	S	*	*			trans	-133.2	168.6	-174.8	44	-30.3	0	0	0	118.5
468	K	25.7	Very low	27.8	Very low	193 Å²	193	141.6 Å²	141.6	84%	0.839	78%	0.777	S	S	*	*			trans	67.7	132.7	152.8	-74.4	173.5	-179.2	180	0	122.1
469	T	28.8	Very low	27.9	Very low	148 Å²	148	137.8 Å²	137.8	91%	0.908	77%	0.771	S	S	*	*			trans	-162.4	166.2	132	3.5	0	0	0	0	111.7
470	T	25.7	Very low	28.1	Very low	121 Å²	121	136.4 Å²	136.4	74%	0.742	77%	0.768	S	S	*	*			trans	-126.8	153.4	-153.4	47.9	0	0	0	0	116
471	S	28.2	Very low	28.3	Very low	97 Å²	97	133.8 Å²	133.8	68%	0.678	76%	0.762	S	S	*	*			trans	53.7	134	141.4	65	0	0	0	0	122.1
472	N	30.4	Very low	28.2	Very low	168 Å²	168	133.6 Å²	133.6	90%	0.898	77%	0.767	S	S	*	*				-158.4	156.2	129.7	-102.5	-30.2	0	0	0	113.6
473	I	25.4	Very low	28.3	Very low	136 Å²	136	132.9 Å²	132.9	70%	0.697	77%	0.773	S	S	*	*			trans	-107.4	151.7	-167.7	-67	156.5	0	0	0	110.3
474	H	31.2	Very low	28.3	Very low	196 Å²	196	130.4 Å²	130.4	91%	0.907	77%	0.774	S	S	*	*			trans	-159.9	159.6	141.4	-102.6	-59	0	0	0	113.5
475	Q	27.2	Very low	28.3	Very low	158 Å²	158	128.5 Å²	128.5	74%	0.738	77%	0.772	S	S	*	*			trans	-117.4	149.5	-158.3	-73.4	176.2	-50.7	0	0	114.5
476	T	25.8	Very low	28.4	Very low	107 Å²	107	132.6 Å²	132.6	66%	0.656	78%	0.778	S	S	*	*			trans	50.1	128	139.2	62.6	0	0	0	0	122.1
477	N	29	Very low	28.2	Very low	144 Å²	144	132.1 Å²	132.1	77%	0.77	77%	0.769	S	S	*	*				171.2	133.2	95.5	-97.4	-35.1	0	0	0	117.1
478	S	27.4	Very low	28.2	Very low	97 Å²	97	135.3 Å²	135.3	68%	0.678	77%	0.772	S	S	*	*			trans	43.7	121.1	140.9	67	0	0	0	0	125.6
479	S	26.6	Very low	28.2	Very low	107 Å²	107	128.8 Å²	128.8	75%	0.748	76%	0.759	S	S	*	*				92.4	152.3	121.7	75.5	0	0	0	0	123.2
480	S	30.2	Very low	28.1	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	76%	0.758	S	S	*	*			trans	73.8	145.1	176	74.9	0	0	0	0	117.8
481	S	28.5	Very low	28.1	Very low	94 Å²	94	129.5 Å²	129.5	66%	0.657	76%	0.759	S	S	*	*			cis	-169.1	155.9	-29.1	45.2	0	0	0	0	110.3
482	D	28.4	Very low	27.9	Very low	166 Å²	166	133.4 Å²	133.4	89%	0.888	77%	0.771	S	S	*	*			trans	66.9	139	161.2	-58	-25.9	0	0	0	121.2
483	G	29.5	Very low	27.7	Very low	71 Å²	71	130.7 Å²	130.7	73%	0.732	77%	0.765	S	S	*	*			trans	166.9	29	178	0	0	0	0	0	119.7
484	S	28.4	Very low	27.8	Very low	114 Å²	114	129.4 Å²	129.4	80%	0.797	77%	0.768	S	S	*	*			trans	23	120.7	159.9	61.9	0	0	0	0	121.6
485	S	30.9	Very low	27.6	Very low	110 Å²	110	124.9 Å²	124.9	77%	0.769	76%	0.759	S	S	*	*				166.7	112.9	101.4	63.4	0	0	0	0	116.9
486	K	28.8	Very low	27.7	Very low	188 Å²	188	125.4 Å²	125.4	82%	0.817	76%	0.761	S	S	*	*			trans	60	115.6	133.9	-68	-177.3	176.5	178.8	0	123.3
487	L	26.4	Very low	27.8	Very low	133 Å²	133	125.6 Å²	125.6	70%	0.696	76%	0.764	S	S	*	*				65.5	138.6	126.6	-63.4	160.8	0	0	0	118.8
488	F	29	Very low	28	Very low	179 Å²	179	123.5 Å²	123.5	79%	0.785	75%	0.753	S	S	*	*			cis	-136.9	150.5	17	-85.5	-92.2	0	0	0	112.5
489	G	26	Very low	28.3	Very low	56 Å²	56	122.9 Å²	122.9	58%	0.577	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-95.8	160.6	162.1	0	0	0	0	0	112
490	P	27	Very low	28.5	Very low	134 Å²	134	121.7 Å²	121.7	87%	0.87	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-75.3	133.3	-172	30.2	-34.6	0	0	0	112.7
491	I	26.4	Very low	28.7	Very low	150 Å²	150	120.2 Å²	120.2	77%	0.769	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-80.7	121.3	171.8	-63.8	173.6	0	0	0	108.8	S493	I491-S493 PolarHBondContact O-N 2.84Å
492	L	23.9	Very low	29.3	Very low	179 Å²	179	122.5 Å²	122.5	94%	0.937	72%	0.717	S	S	*	*			trans	-75.9	115.1	164.9	-81.8	156.8	0	0	0	109.1
493	S	26.7	Very low	29.6	Very low	111 Å²	111	119.5 Å²	119.5	78%	0.776	70%	0.699	S	S	*	*			trans	-124.7	141.9	164.2	60.1	0	0	0	0	110.9	I491	I491-S493 PolarHBondContact O-N 2.84Å
494	S	26.9	Very low	30	Very low	108 Å²	108	121.1 Å²	121.1	76%	0.755	69%	0.688	S	S	*	*			trans	-68.6	143.6	-166.7	47.9	0	0	0	0	115.6
495	S	26.9	Very low	30.9	Very low	102 Å²	102	122.3 Å²	122.3	71%	0.713	68%	0.679	S	S	*	*			trans	45.2	103.1	142.7	62.2	0	0	0	0	119.8
496	E	28.5	Very low	31.9	Very low	168 Å²	168	120.3 Å²	120.3	79%	0.785	66%	0.657	S	S	*	*			trans	-169.5	163.7	140.1	-108.9	171	-145.2	0	0	110.2	N498	E496-N498 PolarHBondContact O-N 2.82Å
497	P	27.6	Very low	32.8	Very low	111 Å²	111	116.2 Å²	116.2	72%	0.721	64%	0.641	S	S	*	*			trans	-78.7	77.2	-154.7	32	-37.6	0	0	0	114.7	S499	P497-S499 PolarHBondContact O-N 2.89Å
498	N	34.7	Very low	33.7	Very low	100 Å²	100	116 Å²	116	54%	0.535	64%	0.636	S	S	.	*			trans	-86	4.9	-172.4	-89.2	-53.4	0	0	0	117	E496 K502	E496-N498 PolarHBondContact O-N 2.82Å; N498-K502 WeakPolarHBondContact O-CB 3.06Å; N498-K502 WeakPolarHBondContact O-CG 3.21Å; N498-K502 PolarHBondContact O-N 2.9Å
499	S	33.8	Very low	34.9	Very low	84 Å²	84	109.6 Å²	109.6	59%	0.587	61%	0.612	S	S	*	*	H	α-helix	trans	-71.3	-46.2	-177.5	50.7	0	0	0	0	113.1	P497 K502 M503	P497-S499 PolarHBondContact O-N 2.89Å; S499-K502 PolarHBondContact O-N 2.88Å; S499-M503 PolarHBondContact O-N 2.77Å; S499-M503 VanDerWaalsContact O-N 3.11Å
500	T	30.9	Very low	36.3	Very low	82 Å²	82	107.7 Å²	107.7	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-66.4	-47.5	-177.1	-38.3	0	0	0	0	111.7	K502 M503 E504	T500-K502 VanDerWaalsContact C-N 3.3Å; T500-K502 PolarHBondContact O-N 3.36Å; T500-M503 PolarHBondContact O-N 3.07Å; T500-E504 PolarHBondContact O-N 2.88Å
501	I	34.1	Very low	37.5	Very low	84 Å²	84	108.6 Å²	108.6	43%	0.431	58%	0.58	S	S	.	*	H	α-helix	trans	-64.1	-34.5	179.8	-60.7	170.8	0	0	0	111.3	K505	I501-K505 WeakPolarHBondContact O-CG 3.38Å; I501-K505 PolarHBondContact O-N 2.93Å
502	K	40.4	Very low	39	Very low	143 Å²	143	103.8 Å²	103.8	62%	0.622	56%	0.556	S	S	*	*	H	α-helix	trans	-63	-45.6	170.8	-87.9	-172.7	171.3	-173.8	0	111.6	N498 S499 T500 K505 Q506	N498-K502 WeakPolarHBondContact O-CB 3.06Å; N498-K502 WeakPolarHBondContact O-CG 3.21Å; N498-K502 PolarHBondContact O-N 2.9Å; S499-K502 PolarHBondContact O-N 2.88Å; T500-K502 VanDerWaalsContact C-N 3.3Å; T500-K502 PolarHBondContact O-N 3.36Å; K502-K505 PolarHBondContact O-N 2.74Å; K502-Q506 WeakPolarHBondContact O-CB 3.36Å; K502-Q506 VanDerWaalsContact O-CG 3.3Å; K502-Q506 WeakPolarHBondContact O-CG 3.48Å; K502-Q506 PolarHBondContact O-N 2.84Å
503	M	35.5	Very low	41	Very low	102 Å²	102	95.3 Å²	95.3	50%	0.502	51%	0.512	S	S	.	.	H	α-helix	trans	-65.8	-38.6	177.9	-73	-143.5	-70.6	0	0	112.8	S499 T500 Q506 Q507	S499-M503 PolarHBondContact O-N 2.77Å; S499-M503 VanDerWaalsContact O-N 3.11Å; T500-M503 PolarHBondContact O-N 3.07Å; M503-Q506 PolarHBondContact O-N 2.73Å; M503-Q507 WeakPolarHBondContact O-CB 3.31Å; M503-Q507 VanDerWaalsContact O-CG 3.25Å; M503-Q507 WeakPolarHBondContact O-CG 3.39Å; M503-Q507 PolarHBondContact O-N 3.41Å
504	E	38.3	Very low	43.6	Very low	106 Å²	106	91 Å²	91	50%	0.495	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-46.9	175.7	-72.7	173.5	171	0	0	111.8	T500 Q506 Q507 Q508	T500-E504 PolarHBondContact O-N 2.88Å; E504-Q506 VanDerWaalsContact C-N 3.34Å; E504-Q506 PolarHBondContact O-N 2.68Å; E504-Q507 PolarHBondContact O-N 2.83Å; E504-Q508 WeakPolarHBondContact O-CG 3.43Å; E504-Q508 PolarHBondContact O-N 3.01Å
505	K	46.3	Very low	46.6	Very low	139 Å²	139	85.8 Å²	85.8	60%	0.604	44%	0.443	S	S	*	.	H	α-helix	trans	-62.3	-39.9	174.9	-73.9	-175.2	176.8	-174.8	0	112.4	I501 K502 Q508 T509	I501-K505 WeakPolarHBondContact O-CG 3.38Å; I501-K505 PolarHBondContact O-N 2.93Å; K502-K505 PolarHBondContact O-N 2.74Å; K505-Q508 PolarHBondContact O-N 2.85Å; K505-T509 PolarHBondContact O-N 2.96Å; K505-T509 VanDerWaalsContact O-N 3.17Å
506	Q	51.1	Low	49.7	Very low	67 Å²	67	81 Å²	81	31%	0.313	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-40.8	174	-76.1	175.3	-31.3	0	0	112	K502 M503 E504 Q508 T509 F510 L590	K502-Q506 WeakPolarHBondContact O-CB 3.36Å; K502-Q506 VanDerWaalsContact O-CG 3.3Å; K502-Q506 WeakPolarHBondContact O-CG 3.48Å; K502-Q506 PolarHBondContact O-N 2.84Å; M503-Q506 PolarHBondContact O-N 2.73Å; E504-Q506 VanDerWaalsContact C-N 3.34Å; E504-Q506 PolarHBondContact O-N 2.68Å; Q506-Q508 VanDerWaalsContact C-N 3.33Å; Q506-Q508 PolarHBondContact O-N 3.38Å; Q506-T509 PolarHBondContact O-N 3.02Å; Q506-T509 PolarHBondContact O-OG1 3.16Å; Q506-F510 VanDerWaalsContact O-CD2 3.25Å; Q506-F510 WeakPolarHBondContact O-CD2 3.38Å; Q506-F510 PolarHBondContact O-N 2.91Å; Q506-L590 HydrophobicContact CB-CD2 4.38Å
507	Q	48.9	Very low	52.8	Low	103 Å²	103	73 Å²	73	48%	0.481	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-39.8	176.6	-74.9	172.6	28	0	0	111.9	M503 E504 F510 Q511	M503-Q507 WeakPolarHBondContact O-CB 3.31Å; M503-Q507 VanDerWaalsContact O-CG 3.25Å; M503-Q507 WeakPolarHBondContact O-CG 3.39Å; M503-Q507 PolarHBondContact O-N 3.41Å; E504-Q507 PolarHBondContact O-N 2.83Å; Q507-F510 PolarHBondContact O-N 3.39Å; Q507-Q511 PolarHBondContact O-N 2.9Å
508	Q	45.5	Very low	56.1	Low	128 Å²	128	67.7 Å²	67.7	60%	0.598	34%	0.338	S	S	*	.	H	α-helix	trans	-62	-41.7	174.7	-72.2	177.6	-1.4	0	0	112.6	E504 K505 Q506 F510 Q511	E504-Q508 WeakPolarHBondContact O-CG 3.43Å; E504-Q508 PolarHBondContact O-N 3.01Å; K505-Q508 PolarHBondContact O-N 2.85Å; Q506-Q508 VanDerWaalsContact C-N 3.33Å; Q506-Q508 PolarHBondContact O-N 3.38Å; Q508-F510 VanDerWaalsContact C-N 3.27Å; Q508-F510 PolarHBondContact O-N 3.27Å; Q508-Q511 PolarHBondContact O-N 2.89Å
509	T	53.2	Low	58.9	Low	44 Å²	44	62.9 Å²	62.9	27%	0.27	31%	0.312	S	S	.	.	H	α-helix	trans	-66.2	-28.6	177.8	56.8	0	0	0	0	113.1	K505 Q506	K505-T509 PolarHBondContact O-N 2.96Å; K505-T509 VanDerWaalsContact O-N 3.17Å; Q506-T509 PolarHBondContact O-N 3.02Å; Q506-T509 PolarHBondContact O-OG1 3.16Å
510	F	55.8	Low	61.8	Low	16 Å²	16	58.9 Å²	58.9	7%	0.07	28%	0.284	C	S	.	.	H	α-helix	trans	-78	-24.8	179	-91	-103.6	0	0	0	115.4	Q391 Q506 Q507 Q508 N512 L515 L527 I536 G572 A589 L590	Q391-F510 PolarHBondContact NE2-O 2.83Å; Q506-F510 VanDerWaalsContact O-CD2 3.25Å; Q506-F510 WeakPolarHBondContact O-CD2 3.38Å; Q506-F510 PolarHBondContact O-N 2.91Å; Q507-F510 PolarHBondContact O-N 3.39Å; Q508-F510 VanDerWaalsContact C-N 3.27Å; Q508-F510 PolarHBondContact O-N 3.27Å; F510-N512 VanDerWaalsContact C-N 3.28Å; F510-L515 HydrophobicContact CB-CD1 4.29Å; F510-L515 HydrophobicContact CD1-CD1 3.47Å; F510-L515 VanDerWaalsContact CD1-CD1 3.47Å; F510-L515 HydrophobicContact CD2-CD1 3.91Å; F510-L515 HydrophobicContact CE1-CD1 3.67Å; F510-L515 HydrophobicContact CE2-CD1 4.13Å; F510-L515 HydrophobicContact CG-CD1 3.63Å; F510-L515 HydrophobicContact CZ-CD1 4.04Å; F510-L527 HydrophobicContact CE1-CD2 3.96Å; F510-L527 HydrophobicContact CE2-CD2 4.02Å; F510-L527 HydrophobicContact CZ-CD2 3.28Å; F510-I536 HydrophobicContact CE2-CG2 4.29Å; F510-G572 VanDerWaalsContact CD1-O 3.3Å; F510-G572 WeakPolarHBondContact CD1-O 3.33Å; F510-G572 WeakPolarHBondContact CE1-O 3.21Å; F510-A589 HydrophobicContact CE1-CB 3.64Å; F510-A589 VanDerWaalsContact CZ-C 3.5Å; F510-A589 HydrophobicContact CZ-CB 4.11Å; F510-A589 WeakPolarHBondContact CZ-O 3.38Å; F510-L590 HydrophobicContact CB-CD2 4.22Å; F510-L590 HydrophobicContact CD1-CD2 4.1Å; F510-L590 HydrophobicContact CD1-CG 3.9Å; F510-L590 HydrophobicContact CD2-CD2 3.35Å; F510-L590 HydrophobicContact CD2-CG 4.04Å; F510-L590 HydrophobicContact CE1-CD2 4.27Å; F510-L590 HydrophobicContact CE1-CG 3.88Å; F510-L590 HydrophobicContact CE2-CD2 3.52Å; F510-L590 HydrophobicContact CE2-CG 3.98Å; F510-L590 HydrophobicContact CG-CD2 3.62Å; F510-L590 HydrophobicContact CG-CG 3.96Å; F510-L590 HydrophobicContact CZ-CB 4.31Å; F510-L590 HydrophobicContact CZ-CD2 3.96Å; F510-L590 HydrophobicContact CZ-CG 3.87Å
511	Q	52.3	Low	64.7	Low	154 Å²	154	57.5 Å²	57.5	72%	0.72	27%	0.27	S	S	*	.	H	α-helix	trans	-72.1	-25.3	175.3	-71.8	-175.3	-8.5	0	0	112.3	Q507 Q508 G513	Q507-Q511 PolarHBondContact O-N 2.9Å; Q508-Q511 PolarHBondContact O-N 2.89Å; Q511-G513 VanDerWaalsContact C-N 3.27Å; Q511-G513 PolarHBondContact O-N 2.87Å
512	N	57.8	Low	67.5	Low	49 Å²	49	54.9 Å²	54.9	26%	0.262	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	3	-170.8	-75	-15.2	0	0	0	115.3	Q337 I339 F510 H514	Q337-N512 PolarHBondContact OE1-O 2.97Å; I339-N512 HydrophobicContact CD1-CB 4.11Å; I339-N512 WeakPolarHBondContact CD1-O 3.41Å; F510-N512 VanDerWaalsContact C-N 3.28Å; N512-H514 PolarHBondContact O-N 3.42Å; N512-H514 PolarHBondContact O-ND1 2.81Å
513	G	66.4	Low	70.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.01	24%	0.241	C	C	.	.	S	Bend	trans	63.5	-2.4	169.5	0	0	0	0	0	117.1	Q337 Q511 L515	Q337-G513 PolarHBondContact NE2-O 3.36Å; Q337-G513 VanDerWaalsContact OE1-CA 3.29Å; Q511-G513 VanDerWaalsContact C-N 3.27Å; Q511-G513 PolarHBondContact O-N 2.87Å; G513-L515 PolarHBondContact O-N 2.87Å
514	H	80.4	Confident	72.9	Confident	19 Å²	19	46.2 Å²	46.2	9%	0.088	22%	0.222	C	C	.	.			trans	-88.7	36.5	177.2	-64.7	111.9	0	0	0	112.4	I339 S348 N512 V530 V531	I339-H514 WeakPolarHBondContact CD1-CE1 3.43Å; S348-H514 WeakPolarHBondContact CB-NE2 3.48Å; S348-H514 PolarHBondContact OG-NE2 3.39Å; N512-H514 PolarHBondContact O-N 3.42Å; N512-H514 PolarHBondContact O-ND1 2.81Å; H514-V530 HydrophobicContact CB-CG2 3.96Å; H514-V530 WeakPolarHBondContact O-CG2 3.26Å; H514-V530 PolarHBondContact O-N 2.76Å; H514-V531 HydrophobicContact CB-CG2 3.84Å
515	L	90	Very high	75.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.9	-179.5	-62.3	-168.9	0	0	0	111.9	Q391 F510 G513 L527 W528 N529 I536 F570	Q391-L515 HydrophobicContact CB-CB 4.4Å; Q391-L515 PolarHBondContact N-O 2.89Å; F510-L515 HydrophobicContact CB-CD1 4.29Å; F510-L515 HydrophobicContact CD1-CD1 3.47Å; F510-L515 VanDerWaalsContact CD1-CD1 3.47Å; F510-L515 HydrophobicContact CD2-CD1 3.91Å; F510-L515 HydrophobicContact CE1-CD1 3.67Å; F510-L515 HydrophobicContact CE2-CD1 4.13Å; F510-L515 HydrophobicContact CG-CD1 3.63Å; F510-L515 HydrophobicContact CZ-CD1 4.04Å; G513-L515 PolarHBondContact O-N 2.87Å; L515-L527 HydrophobicContact CB-CD1 4.24Å; L515-L527 HydrophobicContact CD1-CD1 4.49Å; L515-W528 WeakPolarHBondContact CA-O 3.3Å; L515-N529 HydrophobicContact CD2-CB 4.26Å; L515-I536 HydrophobicContact CD2-CD1 3.4Å; L515-I536 VanDerWaalsContact CD2-CD1 3.4Å; L515-F570 HydrophobicContact CB-CE1 3.65Å; L515-F570 HydrophobicContact CB-CZ 4.01Å; L515-F570 HydrophobicContact CD1-CZ 4.19Å
516	V	92.2	Very high	77.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.6	171.9	74.5	0	0	0	0	109.6	T332 I354 L388 A389 W528 V530	T332-V516 HydrophobicContact CG2-CG2 4.3Å; I354-V516 HydrophobicContact CG2-CG1 4.41Å; I354-V516 HydrophobicContact CG2-CG2 4.43Å; L388-V516 HydrophobicContact CB-CG2 4.44Å; A389-V516 WeakPolarHBondContact O-CA 3.36Å; A389-V516 WeakPolarHBondContact O-CG2 3.37Å; V516-W528 HydrophobicContact CG1-CB 4.07Å; V516-W528 HydrophobicContact CG1-CG 4.37Å; V516-W528 PolarHBondContact N-O 2.6Å; V516-W528 VanDerWaalsContact N-O 3.16Å; V516-W528 PolarHBondContact O-N 3.38Å; V516-V530 HydrophobicContact CB-CG1 3.87Å; V516-V530 HydrophobicContact CG1-CG1 3.41Å; V516-V530 VanDerWaalsContact CG1-CG1 3.41Å
517	V	94.6	Very high	80	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.8	166.3	61.6	0	0	0	0	109.5	L388 A389 L525 R526 L527 V568 F570 I575	L388-V517 CarbonylContact C-O 3.58Å; L388-V517 WeakPolarHBondContact CA-O 3.44Å; L388-V517 WeakPolarHBondContact CB-O 3.31Å; A389-V517 HydrophobicContact CB-CG1 3.97Å; A389-V517 PolarHBondContact N-O 3.45Å; A389-V517 PolarHBondContact O-N 3.39Å; V517-L525 HydrophobicContact CG2-CB 4.19Å; V517-L525 HydrophobicContact CG2-CD2 4.09Å; V517-R526 CarbonylContact C-O 3.58Å; V517-R526 VanDerWaalsContact CA-O 3.31Å; V517-R526 WeakPolarHBondContact CA-O 3.34Å; V517-R526 WeakPolarHBondContact CG2-O 3.28Å; V517-L527 HydrophobicContact CB-CD1 4.45Å; V517-V568 HydrophobicContact CG1-CG1 4.32Å; V517-V568 HydrophobicContact CG1-CG2 3.61Å; V517-V568 HydrophobicContact CG2-CG2 4.17Å; V517-F570 HydrophobicContact CG1-CB 3.8Å; V517-F570 HydrophobicContact CG1-CD1 4.36Å; V517-F570 HydrophobicContact CG1-CG 4.16Å; V517-I575 HydrophobicContact CB-CD1 4.16Å; V517-I575 HydrophobicContact CB-CG1 4.42Å; V517-I575 HydrophobicContact CG1-CG1 4.36Å; V517-I575 HydrophobicContact CG1-CG2 4.33Å; V517-I575 HydrophobicContact CG2-CD1 3.99Å; V517-I575 HydrophobicContact CG2-CG1 4.46Å; V517-I575 HydrophobicContact CG2-CG2 4.12Å
518	T	95.7	Very high	82.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.6	171.2	56.6	0	0	0	0	109.9	A362 H381 V385 L388 L525 R526 W528	A362-T518 HydrophobicContact CB-CG2 4.02Å; H381-T518 PolarHBondContact CD2-OG1 3.41Å; H381-T518 PolarHBondContact NE2-OG1 3.27Å; V385-T518 HydrophobicContact CG1-CG2 3.97Å; L388-T518 HydrophobicContact CB-CG2 4.11Å; T518-L525 CarbonylContact O-C 3.57Å; T518-L525 VanDerWaalsContact O-CA 3.23Å; T518-L525 WeakPolarHBondContact O-CA 3.35Å; T518-R526 PolarHBondContact N-O 2.89Å; T518-R526 PolarHBondContact O-N 2.85Å; T518-R526 PolarHBondContact OG1-O 2.7Å; T518-W528 PolarHBondContact OG1-NE1 3.37Å
519	G	94.1	Very high	84.2	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.5	171.5	0	0	0	0	0	110.4	R386 C387	R386-G519 PolarHBondContact N-O 2.8Å; C387-G519 PolarHBondContact N-O 3.39Å; C387-G519 PolarHBondContact O-N 2.94Å
520	S	94.5	Very high	85.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.			trans	-121.8	164	-170.4	171.7	0	0	0	0	112.9	H381 S383 T384 D522 T523 T524 I565	H381-S520 VanDerWaalsContact CE1-CB 3.46Å; H381-S520 WeakPolarHBondContact CE1-CB 3.46Å; H381-S520 WeakPolarHBondContact ND1-CB 3.32Å; S383-S520 PolarHBondContact O-OG 3.38Å; S383-S520 VanDerWaalsContact O-OG 3.08Å; T384-S520 VanDerWaalsContact O-CA 3.25Å; T384-S520 WeakPolarHBondContact O-CA 3.33Å; T384-S520 PolarHBondContact O-OG 2.84Å; T384-S520 VanDerWaalsContact O-OG 3.12Å; S520-D522 VanDerWaalsContact CB-CG 3.47Å; S520-D522 VanDerWaalsContact CB-OD1 3.29Å; S520-D522 WeakPolarHBondContact CB-OD1 3.45Å; S520-D522 WeakPolarHBondContact CB-OD2 3.46Å; S520-D522 PolarHBondContact O-N 3.46Å; S520-D522 PolarHBondContact OG-N 3.22Å; S520-D522 VanDerWaalsContact OG-N 3.14Å; S520-D522 PolarHBondContact OG-OD1 3.06Å; S520-D522 PolarHBondContact OG-OD2 3.31Å; S520-T523 PolarHBondContact O-N 3.46Å; S520-T524 PolarHBondContact N-O 3.15Å; S520-I565 PolarHBondContact O-N 3.03Å
521	R	92.4	Very high	87.1	Confident	52 Å²	52	23.8 Å²	23.8	20%	0.196	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.4	166.7	-77.1	-165.7	-177.1	165.2	4.4	112.6	S383 T384 D443 D446 T523 A564	S383-R521 WeakPolarHBondContact OG-CB 3.39Å; T384-R521 PolarHBondContact O-N 2.83Å; D443-R521 IonicContact OD2-CZ 3.61Å; D443-R521 IonicContact OD2-NH1 3.97Å; D443-R521 PolarHBondContact OD2-NH1 2.89Å; D446-R521 IonicContact OD2-CZ 2.85Å; D446-R521 IonicContact OD2-NH2 3.8Å; D446-R521 PolarHBondContact OD2-NH2 3.46Å; R521-T523 PolarHBondContact O-N 3.1Å; R521-A564 HydrophobicContact CB-CB 4.17Å; R521-A564 HydrophobicContact CG-CB 4.01Å
522	D	93.1	Very high	88.7	Confident	30 Å²	30	20 Å²	20	16%	0.16	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	13.1	176.4	66.9	30.9	0	0	0	115.3	H381 Q382 S520 T524	H381-D522 WeakPolarHBondContact CA-OD2 3.19Å; H381-D522 WeakPolarHBondContact CB-OD2 3.43Å; H381-D522 IonicContact CE1-OD1 3.67Å; H381-D522 IonicContact CG-OD2 2.8Å; H381-D522 IonicContact ND1-OD1 3.65Å; H381-D522 PolarHBondContact ND1-OD1 2.85Å; H381-D522 IonicContact ND1-OD2 2.73Å; H381-D522 PolarHBondContact ND1-OD2 2.84Å; Q382-D522 HydrophobicContact CB-CB 4.2Å; Q382-D522 PolarHBondContact N-OD2 3.26Å; S520-D522 VanDerWaalsContact CB-CG 3.47Å; S520-D522 VanDerWaalsContact CB-OD1 3.29Å; S520-D522 WeakPolarHBondContact CB-OD1 3.45Å; S520-D522 WeakPolarHBondContact CB-OD2 3.46Å; S520-D522 PolarHBondContact O-N 3.46Å; S520-D522 PolarHBondContact OG-N 3.22Å; S520-D522 VanDerWaalsContact OG-N 3.14Å; S520-D522 PolarHBondContact OG-OD1 3.06Å; S520-D522 PolarHBondContact OG-OD2 3.31Å; D522-T524 PolarHBondContact O-N 3.43Å; D522-T524 WeakPolarHBondContact OD1-CB 3.45Å; D522-T524 PolarHBondContact OD1-N 2.98Å; D522-T524 PolarHBondContact OD1-OG1 3.36Å
523	T	94.2	Very high	90	Very high	47 Å²	47	18.7 Å²	18.7	29%	0.288	11%	0.107	S	C	.	.	S	Bend	trans	68	1.1	-178.6	79.3	0	0	0	0	116.1	S520 R521 H561 I565	S520-T523 PolarHBondContact O-N 3.46Å; R521-T523 PolarHBondContact O-N 3.1Å; T523-H561 WeakPolarHBondContact CB-O 3.44Å; T523-I565 WeakPolarHBondContact O-CD1 3.49Å
524	T	94	Very high	91.2	Very high	16 Å²	16	24.8 Å²	24.8	10%	0.098	14%	0.135	C	C	.	.			trans	-103	152.2	-177.3	73.6	0	0	0	0	114	H381 S520 D522 I565	H381-T524 PolarHBondContact CE1-O 2.79Å; H381-T524 PolarHBondContact CE1-OG1 2.7Å; H381-T524 VanDerWaalsContact CE1-OG1 3.27Å; H381-T524 PolarHBondContact ND1-OG1 2.85Å; S520-T524 PolarHBondContact N-O 3.15Å; D522-T524 PolarHBondContact O-N 3.43Å; D522-T524 WeakPolarHBondContact OD1-CB 3.45Å; D522-T524 PolarHBondContact OD1-N 2.98Å; D522-T524 PolarHBondContact OD1-OG1 3.36Å; T524-I565 WeakPolarHBondContact O-CD1 3.1Å
525	L	94.9	Very high	91.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.4	158	-58.5	160.3	0	0	0	109.8	V517 T518 F539 I565 V568 I575 W587	V517-L525 HydrophobicContact CG2-CB 4.19Å; V517-L525 HydrophobicContact CG2-CD2 4.09Å; T518-L525 CarbonylContact O-C 3.57Å; T518-L525 VanDerWaalsContact O-CA 3.23Å; T518-L525 WeakPolarHBondContact O-CA 3.35Å; L525-F539 HydrophobicContact CB-CB 4.02Å; L525-F539 HydrophobicContact CB-CD2 3.68Å; L525-F539 HydrophobicContact CB-CG 4.1Å; L525-F539 HydrophobicContact CD1-CB 4.3Å; L525-F539 HydrophobicContact CD1-CG 4.36Å; L525-F539 PolarHBondContact O-N 2.75Å; L525-I565 HydrophobicContact CD1-CD1 4.48Å; L525-I565 HydrophobicContact CD2-CD1 3.75Å; L525-I565 HydrophobicContact CD2-CG2 4.03Å; L525-I565 HydrophobicContact CG-CD1 3.55Å; L525-V568 HydrophobicContact CD2-CB 4.44Å; L525-V568 HydrophobicContact CD2-CG2 3.89Å; L525-I575 HydrophobicContact CD1-CG2 4.01Å; L525-W587 HydrophobicContact CD1-CD2 4.4Å; L525-W587 HydrophobicContact CD1-CG 4.38Å; L525-W587 HydrophobicContact CD1-CZ2 4.29Å
526	R	95.2	Very high	91.8	Very high	22 Å²	22	28 Å²	28	8%	0.083	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.5	168.8	-68.1	175.7	176.8	-78.3	-5	110.2	G380 V517 T518 W528 Q537 E538	G380-R526 VanDerWaalsContact C-CZ 3.47Å; G380-R526 PolarHBondContact O-NE 3.26Å; G380-R526 PolarHBondContact O-NH2 3.46Å; V517-R526 CarbonylContact C-O 3.58Å; V517-R526 VanDerWaalsContact CA-O 3.31Å; V517-R526 WeakPolarHBondContact CA-O 3.34Å; V517-R526 WeakPolarHBondContact CG2-O 3.28Å; T518-R526 PolarHBondContact N-O 2.89Å; T518-R526 PolarHBondContact O-N 2.85Å; T518-R526 PolarHBondContact OG1-O 2.7Å; R526-W528 HydrophobicContact CB-CD2 4.49Å; R526-W528 HydrophobicContact CB-CH2 4.48Å; R526-W528 HydrophobicContact CB-CZ2 3.56Å; R526-W528 HydrophobicContact CG-CZ2 4.07Å; R526-W528 PolarHBondContact O-NE1 3.31Å; R526-Q537 WeakPolarHBondContact CA-O 3.21Å; R526-E538 HydrophobicContact CG-CB 4.49Å; R526-E538 HydrophobicContact CG-CG 4.02Å; R526-E538 IonicContact CZ-OE1 2.64Å; R526-E538 IonicContact CZ-OE2 3.81Å; R526-E538 IonicContact NH1-OE2 3.76Å; R526-E538 PolarHBondContact NH1-OE2 3Å; R526-E538 IonicContact NH2-OE1 3.54Å; R526-E538 PolarHBondContact NH2-OE1 2.87Å; R526-E538 IonicContact NH2-OE2 3.29Å; R526-E538 PolarHBondContact NH2-OE2 2.92Å
527	L	95.1	Very high	91.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.2	172.3	177	73.5	0	0	0	109.2	F510 L515 V517 C535 I536 Q537 F539 F570 I575	F510-L527 HydrophobicContact CE1-CD2 3.96Å; F510-L527 HydrophobicContact CE2-CD2 4.02Å; F510-L527 HydrophobicContact CZ-CD2 3.28Å; L515-L527 HydrophobicContact CB-CD1 4.24Å; L515-L527 HydrophobicContact CD1-CD1 4.49Å; V517-L527 HydrophobicContact CB-CD1 4.45Å; L527-C535 CarbonylContact O-C 3.4Å; L527-I536 HydrophobicContact CD2-CB 4.31Å; L527-I536 HydrophobicContact CD2-CD1 4.3Å; L527-I536 HydrophobicContact CD2-CG2 4.31Å; L527-I536 HydrophobicContact CG-CB 4.44Å; L527-I536 HydrophobicContact CG-CD1 4.31Å; L527-I536 PolarHBondContact O-N 2.66Å; L527-Q537 HydrophobicContact CB-CB 4.33Å; L527-Q537 PolarHBondContact N-O 3.28Å; L527-Q537 PolarHBondContact O-N 3.29Å; L527-F539 HydrophobicContact CB-CE2 3.78Å; L527-F539 HydrophobicContact CB-CZ 4.21Å; L527-F570 HydrophobicContact CD1-CE1 3.99Å; L527-F570 HydrophobicContact CD1-CZ 3.84Å; L527-I575 HydrophobicContact CD1-CD1 4.5Å
528	W	93.4	Very high	91.6	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.7	-174.7	-43.1	82.8	0	0	0	111.7	L378 F379 L515 V516 T518 R526 E534 C535	L378-W528 HydrophobicContact CB-CD2 4.03Å; L378-W528 HydrophobicContact CB-CE3 3.8Å; L378-W528 HydrophobicContact CB-CH2 3.97Å; L378-W528 HydrophobicContact CB-CZ2 4.16Å; L378-W528 HydrophobicContact CB-CZ3 3.78Å; L378-W528 HydrophobicContact CD1-CB 4.09Å; L378-W528 HydrophobicContact CD1-CD2 3.98Å; L378-W528 HydrophobicContact CD1-CE3 4.35Å; L378-W528 HydrophobicContact CD1-CG 3.86Å; L378-W528 HydrophobicContact CD2-CD2 4.48Å; L378-W528 HydrophobicContact CD2-CE3 4.06Å; L378-W528 HydrophobicContact CG-CD2 4.38Å; L378-W528 HydrophobicContact CG-CE3 4.27Å; F379-W528 VanDerWaalsContact O-CH2 3.3Å; F379-W528 WeakPolarHBondContact O-CH2 3.39Å; L515-W528 WeakPolarHBondContact CA-O 3.3Å; V516-W528 HydrophobicContact CG1-CB 4.07Å; V516-W528 HydrophobicContact CG1-CG 4.37Å; V516-W528 PolarHBondContact N-O 2.6Å; V516-W528 VanDerWaalsContact N-O 3.16Å; V516-W528 PolarHBondContact O-N 3.38Å; T518-W528 PolarHBondContact OG1-NE1 3.37Å; R526-W528 HydrophobicContact CB-CD2 4.49Å; R526-W528 HydrophobicContact CB-CH2 4.48Å; R526-W528 HydrophobicContact CB-CZ2 3.56Å; R526-W528 HydrophobicContact CG-CZ2 4.07Å; R526-W528 PolarHBondContact O-NE1 3.31Å; W528-E534 VanDerWaalsContact CA-O 3.31Å; W528-E534 WeakPolarHBondContact CA-O 3.22Å; W528-C535 HydrophobicContact CD2-CB 4.39Å; W528-C535 HydrophobicContact CE3-CB 3.64Å; W528-C535 HydrophobicContact CH2-CB 4.27Å; W528-C535 HydrophobicContact CZ3-CB 3.56Å
529	N	89.6	Confident	91.4	Very high	21 Å²	21	32.9 Å²	32.9	11%	0.112	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	112.8	159.4	177.6	-28.3	0	0	0	108	L515 V531 T532 G533 E534 I536	L515-N529 HydrophobicContact CD2-CB 4.26Å; N529-V531 PolarHBondContact O-N 3.27Å; N529-V531 PolarHBondContact OD1-N 2.84Å; N529-T532 WeakPolarHBondContact CB-OG1 3.27Å; N529-T532 VanDerWaalsContact CG-OG1 3.3Å; N529-T532 PolarHBondContact O-N 3.34Å; N529-T532 PolarHBondContact OD1-N 2.94Å; N529-T532 VanDerWaalsContact OD1-N 3.16Å; N529-G533 WeakPolarHBondContact O-CA 3.44Å; N529-G533 PolarHBondContact O-N 2.85Å; N529-E534 PolarHBondContact N-O 2.7Å; N529-I536 HydrophobicContact CB-CD1 3.98Å; N529-I536 HydrophobicContact CB-CG1 4.3Å
530	V	85.9	Confident	90.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.4	-173.1	-54.6	0	0	0	0	113.8	I334 L352 I354 V364 H514 V516	I334-V530 HydrophobicContact CD1-CG1 4.15Å; I334-V530 HydrophobicContact CD1-CG2 3.89Å; L352-V530 HydrophobicContact CD1-CG2 3.49Å; L352-V530 VanDerWaalsContact CD1-CG2 3.49Å; I354-V530 HydrophobicContact CD1-CG1 4.18Å; I354-V530 HydrophobicContact CG1-CG1 3.98Å; V364-V530 HydrophobicContact CG1-CB 4.13Å; V364-V530 HydrophobicContact CG2-CB 3.98Å; V364-V530 HydrophobicContact CG2-CG1 4.36Å; H514-V530 HydrophobicContact CB-CG2 3.96Å; H514-V530 WeakPolarHBondContact O-CG2 3.26Å; H514-V530 PolarHBondContact O-N 2.76Å; V516-V530 HydrophobicContact CB-CG1 3.87Å; V516-V530 HydrophobicContact CG1-CG1 3.41Å; V516-V530 VanDerWaalsContact CG1-CG1 3.41Å
531	V	82.8	Confident	88.4	Confident	83 Å²	83	41.3 Å²	41.3	50%	0.503	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-41.3	178.4	176.3	0	0	0	0	110.7	L352 H514 N529	L352-V531 HydrophobicContact CD1-CG2 4.45Å; H514-V531 HydrophobicContact CB-CG2 3.84Å; N529-V531 PolarHBondContact O-N 3.27Å; N529-V531 PolarHBondContact OD1-N 2.84Å
532	T	85.6	Confident	86.5	Confident	76 Å²	76	44.3 Å²	44.3	47%	0.466	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-20.9	177.7	65	0	0	0	0	113.3	N529 E534	N529-T532 WeakPolarHBondContact CB-OG1 3.27Å; N529-T532 VanDerWaalsContact CG-OG1 3.3Å; N529-T532 PolarHBondContact O-N 3.34Å; N529-T532 PolarHBondContact OD1-N 2.94Å; N529-T532 VanDerWaalsContact OD1-N 3.16Å; T532-E534 PolarHBondContact O-N 3.44Å; T532-E534 WeakPolarHBondContact OG1-CB 3.37Å; T532-E534 WeakPolarHBondContact OG1-CG 3.34Å; T532-E534 PolarHBondContact OG1-N 3.48Å
533	G	86.7	Confident	84.5	Confident	21 Å²	21	46.4 Å²	46.4	22%	0.216	25%	0.245	C	C	.	.			trans	76.5	0.5	-171.2	0	0	0	0	0	114.1	L378 N529	L378-G533 WeakPolarHBondContact CD2-O 3.45Å; N529-G533 WeakPolarHBondContact O-CA 3.44Å; N529-G533 PolarHBondContact O-N 2.85Å
534	E	90.1	Very high	82.5	Confident	129 Å²	129	48.6 Å²	48.6	60%	0.603	25%	0.251	S	S	*	.			trans	-77.3	136.8	-175.2	-65.4	178.5	149.1	0	0	112.3	W528 N529 T532 I536	W528-E534 VanDerWaalsContact CA-O 3.31Å; W528-E534 WeakPolarHBondContact CA-O 3.22Å; N529-E534 PolarHBondContact N-O 2.7Å; T532-E534 PolarHBondContact O-N 3.44Å; T532-E534 WeakPolarHBondContact OG1-CB 3.37Å; T532-E534 WeakPolarHBondContact OG1-CG 3.34Å; T532-E534 PolarHBondContact OG1-N 3.48Å; E534-I536 PolarHBondContact O-N 2.78Å
535	C	93	Very high	80	Confident	49 Å²	49	54.3 Å²	54.3	33%	0.331	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	103.5	165.3	-173.1	0	0	0	0	108.7	L527 W528	L527-C535 CarbonylContact O-C 3.4Å; W528-C535 HydrophobicContact CD2-CB 4.39Å; W528-C535 HydrophobicContact CE3-CB 3.64Å; W528-C535 HydrophobicContact CH2-CB 4.27Å; W528-C535 HydrophobicContact CZ3-CB 3.56Å
536	I	91.7	Very high	77.5	Confident	37 Å²	37	63 Å²	63	19%	0.19	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	-45.1	178.4	-64.2	162.2	0	0	0	110.5	F510 L515 L527 N529 E534	F510-I536 HydrophobicContact CE2-CG2 4.29Å; L515-I536 HydrophobicContact CD2-CD1 3.4Å; L515-I536 VanDerWaalsContact CD2-CD1 3.4Å; L527-I536 HydrophobicContact CD2-CB 4.31Å; L527-I536 HydrophobicContact CD2-CD1 4.3Å; L527-I536 HydrophobicContact CD2-CG2 4.31Å; L527-I536 HydrophobicContact CG-CB 4.44Å; L527-I536 HydrophobicContact CG-CD1 4.31Å; L527-I536 PolarHBondContact O-N 2.66Å; N529-I536 HydrophobicContact CB-CD1 3.98Å; N529-I536 HydrophobicContact CB-CG1 4.3Å; E534-I536 PolarHBondContact O-N 2.78Å
537	Q	91.1	Very high	74.8	Confident	54 Å²	54	71.3 Å²	71.3	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	139.7	-171.4	-173.7	59.9	33	0	0	111.3	R526 L527 F539	R526-Q537 WeakPolarHBondContact CA-O 3.21Å; L527-Q537 HydrophobicContact CB-CB 4.33Å; L527-Q537 PolarHBondContact N-O 3.28Å; L527-Q537 PolarHBondContact O-N 3.29Å; Q537-F539 HydrophobicContact CB-CE2 4.1Å; Q537-F539 HydrophobicContact CB-CZ 4.17Å; Q537-F539 HydrophobicContact CG-CD2 4.39Å; Q537-F539 HydrophobicContact CG-CE1 4.2Å; Q537-F539 HydrophobicContact CG-CE2 3.95Å; Q537-F539 HydrophobicContact CG-CZ 3.83Å
538	E	91.5	Very high	71.8	Confident	44 Å²	44	76.3 Å²	76.3	21%	0.206	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132	168.1	-168.6	176.2	170.2	0	0	109.3	R526 R540	R526-E538 HydrophobicContact CG-CB 4.49Å; R526-E538 HydrophobicContact CG-CG 4.02Å; R526-E538 IonicContact CZ-OE1 2.64Å; R526-E538 IonicContact CZ-OE2 3.81Å; R526-E538 IonicContact NH1-OE2 3.76Å; R526-E538 PolarHBondContact NH1-OE2 3Å; R526-E538 IonicContact NH2-OE1 3.54Å; R526-E538 PolarHBondContact NH2-OE1 2.87Å; R526-E538 IonicContact NH2-OE2 3.29Å; R526-E538 PolarHBondContact NH2-OE2 2.92Å; E538-R540 HydrophobicContact CG-CG 3.97Å; E538-R540 PolarHBondContact O-N 2.93Å; E538-R540 IonicContact OE1-CZ 3.45Å; E538-R540 IonicContact OE1-NE 2.99Å; E538-R540 PolarHBondContact OE1-NE 3.48Å; E538-R540 IonicContact OE1-NH2 3.88Å; E538-R540 PolarHBondContact OE1-NH2 3.33Å; E538-R540 IonicContact OE2-CZ 2.79Å; E538-R540 IonicContact OE2-NE 3.28Å; E538-R540 IonicContact OE2-NH2 2.76Å; E538-R540 PolarHBondContact OE2-NH2 2.85Å
539	F	89.8	Confident	69	Low	4 Å²	4	84.3 Å²	84.3	2%	0.018	43%	0.434	C	S	.	.			trans	-97.7	73.8	-172.5	-58.5	-102	0	0	0	110.1	L525 L527 Q537 G541 I575 W587	L525-F539 HydrophobicContact CB-CB 4.02Å; L525-F539 HydrophobicContact CB-CD2 3.68Å; L525-F539 HydrophobicContact CB-CG 4.1Å; L525-F539 HydrophobicContact CD1-CB 4.3Å; L525-F539 HydrophobicContact CD1-CG 4.36Å; L525-F539 PolarHBondContact O-N 2.75Å; L527-F539 HydrophobicContact CB-CE2 3.78Å; L527-F539 HydrophobicContact CB-CZ 4.21Å; Q537-F539 HydrophobicContact CB-CE2 4.1Å; Q537-F539 HydrophobicContact CB-CZ 4.17Å; Q537-F539 HydrophobicContact CG-CD2 4.39Å; Q537-F539 HydrophobicContact CG-CE1 4.2Å; Q537-F539 HydrophobicContact CG-CE2 3.95Å; Q537-F539 HydrophobicContact CG-CZ 3.83Å; F539-G541 VanDerWaalsContact C-N 3.28Å; F539-G541 PolarHBondContact O-N 3.44Å; F539-I575 HydrophobicContact CE1-CD1 4.04Å; F539-I575 HydrophobicContact CE2-CD1 3.92Å; F539-I575 HydrophobicContact CZ-CD1 3.44Å; F539-I575 VanDerWaalsContact CZ-CD1 3.44Å; F539-W587 HydrophobicContact CB-CD2 4.27Å; F539-W587 HydrophobicContact CB-CE3 3.93Å; F539-W587 HydrophobicContact CB-CH2 4.18Å; F539-W587 HydrophobicContact CB-CZ2 4.5Å; F539-W587 HydrophobicContact CB-CZ3 3.89Å; F539-W587 HydrophobicContact CD1-CB 3.88Å; F539-W587 AromaticContact CD1-CD2 3.9Å; F539-W587 HydrophobicContact CD1-CD2 3.9Å; F539-W587 AromaticContact CD1-CE3 3.7Å; F539-W587 HydrophobicContact CD1-CE3 3.7Å; F539-W587 HydrophobicContact CD1-CG 4.02Å; F539-W587 HydrophobicContact CD1-CZ3 4.45Å; F539-W587 HydrophobicContact CE1-CB 3.93Å; F539-W587 HydrophobicContact CE1-CG 4.5Å; F539-W587 HydrophobicContact CG-CD2 4.43Å; F539-W587 HydrophobicContact CG-CE3 4.27Å
540	R	69.8	Low	66.4	Low	162 Å²	162	92.1 Å²	92.1	61%	0.611	47%	0.466	S	S	*	.			trans	-86.2	12.1	178.4	-66.3	-162.5	176.9	179.1	3.2	115	E538	E538-R540 HydrophobicContact CG-CG 3.97Å; E538-R540 PolarHBondContact O-N 2.93Å; E538-R540 IonicContact OE1-CZ 3.45Å; E538-R540 IonicContact OE1-NE 2.99Å; E538-R540 PolarHBondContact OE1-NE 3.48Å; E538-R540 IonicContact OE1-NH2 3.88Å; E538-R540 PolarHBondContact OE1-NH2 3.33Å; E538-R540 IonicContact OE2-CZ 2.79Å; E538-R540 IonicContact OE2-NE 3.28Å; E538-R540 IonicContact OE2-NH2 2.76Å; E538-R540 PolarHBondContact OE2-NH2 2.85Å
541	G	56.1	Low	63.8	Low	15 Å²	15	99 Å²	99	16%	0.155	50%	0.503	C	S	.	.			trans	82.5	74.2	174	0	0	0	0	0	114.8	F539 V559	F539-G541 VanDerWaalsContact C-N 3.28Å; F539-G541 PolarHBondContact O-N 3.44Å; G541-V559 VanDerWaalsContact CA-C 3.45Å; G541-V559 WeakPolarHBondContact O-CB 3.43Å
542	N	52.4	Low	61.7	Low	115 Å²	115	105.7 Å²	105.7	62%	0.615	52%	0.521	S	S	*	.			trans	-103.3	127.2	156.1	-66.1	-18.6	0	0	0	107.7	H593 C594	N542-H593 WeakPolarHBondContact O-CA 2.88Å; N542-C594 PolarHBondContact O-N 3.46Å
543	L	51.7	Low	59.2	Low	74 Å²	74	109 Å²	109	39%	0.387	54%	0.535	S	S	.	.	B	Isolated β-bridge	trans	-76.2	148.6	169.2	-147.9	78.5	0	0	0	108.9	V559 C594	L543-V559 HydrophobicContact CB-CG1 4.5Å; L543-V559 HydrophobicContact CB-CG2 3.96Å; L543-V559 HydrophobicContact CD1-CG1 3.85Å; L543-V559 HydrophobicContact CD1-CG2 3.91Å; L543-C594 HydrophobicContact CD1-CB 4.44Å
544	F	51.6	Low	56.7	Low	94 Å²	94	117.6 Å²	117.6	41%	0.412	57%	0.567	S	S	.	*			trans	-87.9	110.1	164.2	-167.7	-109.5	0	0	0	109.3	F546 H593	F544-F546 AromaticContact CD1-CD2 3.81Å; F544-F546 HydrophobicContact CD1-CD2 3.81Å; F544-F546 HydrophobicContact CD1-CE2 4.16Å; F544-F546 AromaticContact CE1-CD2 3.91Å; F544-F546 HydrophobicContact CE1-CD2 3.91Å; F544-F546 AromaticContact CE1-CE2 3.9Å; F544-F546 HydrophobicContact CE1-CE2 3.9Å; F544-F546 PolarHBondContact O-N 2.85Å; F544-H593 HydrophobicContact CB-CB 3.98Å; F544-H593 AromaticContact CD2-CE1 3.53Å; F544-H593 AromaticContact CD2-ND1 3.32Å; F544-H593 VanDerWaalsContact CD2-ND1 3.32Å; F544-H593 WeakPolarHBondContact CD2-ND1 3.29Å
545	D	41.5	Very low	54.4	Low	136 Å²	136	117.2 Å²	117.2	73%	0.727	57%	0.568	S	S	*	*			trans	-68.3	94.2	176.4	-89.4	-22	0	0	0	110.9	F547	D545-F547 PolarHBondContact O-N 3.18Å
546	F	43.5	Very low	52.1	Low	183 Å²	183	119.5 Å²	119.5	80%	0.803	58%	0.577	S	S	*	*			trans	-74.7	114.3	160.5	-117.1	-83.4	0	0	0	108.7	F544 S548	F544-F546 AromaticContact CD1-CD2 3.81Å; F544-F546 HydrophobicContact CD1-CD2 3.81Å; F544-F546 HydrophobicContact CD1-CE2 4.16Å; F544-F546 AromaticContact CE1-CD2 3.91Å; F544-F546 HydrophobicContact CE1-CD2 3.91Å; F544-F546 AromaticContact CE1-CE2 3.9Å; F544-F546 HydrophobicContact CE1-CE2 3.9Å; F544-F546 PolarHBondContact O-N 2.85Å; F546-S548 PolarHBondContact O-N 3.33Å
547	F	37.7	Very low	49.9	Very low	197 Å²	197	126.7 Å²	126.7	86%	0.864	61%	0.607	S	S	*	*			trans	-48.2	128.1	179.2	-90.8	-104.7	0	0	0	113.1	D545	D545-F547 PolarHBondContact O-N 3.18Å
548	S	31.8	Very low	48.2	Very low	105 Å²	105	127.9 Å²	127.9	73%	0.734	62%	0.615	S	S	*	*			trans	56.7	80.3	148	-176.4	0	0	0	0	118.2	F546	F546-S548 PolarHBondContact O-N 3.33Å
549	L	35.8	Very low	47.2	Very low	172 Å²	172	126.4 Å²	126.4	90%	0.901	61%	0.609	S	S	*	*			trans	-130.6	99.7	134.2	-95.5	170.1	0	0	0	109.7
550	K	33.2	Very low	46.8	Very low	184 Å²	184	128.1 Å²	128.1	80%	0.8	62%	0.621	S	S	*	*			trans	-59	149.3	162.3	-76	178	174.1	178	0	108.7
551	N	31.6	Very low	47.8	Very low	145 Å²	145	120.6 Å²	120.6	78%	0.775	59%	0.593	S	S	*	*			trans	84.6	79	-176.4	-44.5	-24	0	0	0	114.1
552	Y	39.6	Very low	49.4	Very low	224 Å²	224	126.1 Å²	126.1	88%	0.878	61%	0.609	S	S	*	*	S	Bend		-162.6	159.5	114.3	-91.9	-67.1	0	0	0	108.7
553	L	32.6	Very low	51.3	Low	146 Å²	146	121.4 Å²	121.4	76%	0.764	59%	0.588	S	S	*	*	S	Bend	trans	-74.4	153.5	-161.1	-75.7	80.3	0	0	0	114.5
554	F	35.3	Very low	53.2	Low	200 Å²	200	118.6 Å²	118.6	88%	0.877	58%	0.575	S	S	*	*			trans	46	80.2	167.3	-77.4	-84.9	0	0	0	116.2	D556	F554-D556 PolarHBondContact O-N 3.33Å
555	I	40.4	Very low	55.2	Low	122 Å²	122	114.2 Å²	114.2	63%	0.626	56%	0.556	S	S	*	*			trans	-75.6	112.1	158.7	-56.3	174.9	0	0	0	107.3	F557	I555-F557 WeakPolarHBondContact O-CD2 3.4Å; I555-F557 PolarHBondContact O-N 2.67Å
556	D	44.7	Very low	57.6	Low	96 Å²	96	107.8 Å²	107.8	51%	0.513	52%	0.522	S	S	.	.			trans	-72.7	108.1	176.1	-164.8	-2.8	0	0	0	109.4	F554 N558 R562	F554-D556 PolarHBondContact O-N 3.33Å; D556-N558 PolarHBondContact O-N 3.3Å; D556-N558 VanDerWaalsContact O-N 3.08Å; D556-R562 VanDerWaalsContact CG-NH2 3.29Å; D556-R562 IonicContact OD1-NH2 3.56Å; D556-R562 PolarHBondContact OD1-NH2 3.29Å; D556-R562 IonicContact OD2-CZ 2.99Å; D556-R562 IonicContact OD2-NH2 2.78Å; D556-R562 PolarHBondContact OD2-NH2 3.43Å
557	F	46.2	Very low	60	Low	188 Å²	188	99.3 Å²	99.3	83%	0.825	49%	0.485	S	S	*	.	S	Bend	trans	-65.4	-10.1	-174.4	-86.1	-92.4	0	0	0	113.9	I555 V559	I555-F557 WeakPolarHBondContact O-CD2 3.4Å; I555-F557 PolarHBondContact O-N 2.67Å; F557-V559 PolarHBondContact O-N 3.31Å
558	N	54.9	Low	62.7	Low	80 Å²	80	90.3 Å²	90.3	43%	0.428	45%	0.446	S	S	.	.			trans	-90	95.9	175.4	-70.9	-49	0	0	0	111.4	D556 R562 R585	D556-N558 PolarHBondContact O-N 3.3Å; D556-N558 VanDerWaalsContact O-N 3.08Å; N558-R562 PolarHBondContact ND2-NH2 3.03Å; N558-R585 PolarHBondContact O-NH1 3.48Å; N558-R585 PolarHBondContact O-NH2 2.86Å
559	V	71.2	Confident	65.6	Low	13 Å²	13	86 Å²	86	8%	0.079	42%	0.415	C	S	.	.			trans	-86.9	-13.5	-173.9	-169.6	0	0	0	0	112.4	G541 L543 F557 R585 W587 C594	G541-V559 VanDerWaalsContact CA-C 3.45Å; G541-V559 WeakPolarHBondContact O-CB 3.43Å; L543-V559 HydrophobicContact CB-CG1 4.5Å; L543-V559 HydrophobicContact CB-CG2 3.96Å; L543-V559 HydrophobicContact CD1-CG1 3.85Å; L543-V559 HydrophobicContact CD1-CG2 3.91Å; F557-V559 PolarHBondContact O-N 3.31Å; V559-R585 VanDerWaalsContact CA-NH1 3.29Å; V559-R585 PolarHBondContact O-NH1 2.95Å; V559-W587 WeakPolarHBondContact O-CH2 3.21Å; V559-C594 HydrophobicContact CG1-CB 3.2Å
560	S	80.7	Confident	68.2	Low	39 Å²	39	77.9 Å²	77.9	27%	0.273	37%	0.372	S	S	.	.	S	Bend	trans	-70.3	155.1	166.3	54.2	0	0	0	0	110.8	R585	S560-R585 PolarHBondContact O-NH2 3.19Å
561	H	90.1	Very high	70.7	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.019	34%	0.343	C	S	.	.			trans	-65.5	148.2	162.9	-82.7	-64.8	0	0	0	109.9	T523 I565 S577 S579 D581 T583 R585	T523-H561 WeakPolarHBondContact CB-O 3.44Å; H561-I565 HydrophobicContact CB-CD1 4.49Å; H561-I565 HydrophobicContact CB-CG1 4.31Å; H561-S577 PolarHBondContact NE2-OG 2.86Å; H561-S579 VanDerWaalsContact CE1-CB 3.42Å; H561-S579 WeakPolarHBondContact CE1-CB 3.46Å; H561-S579 WeakPolarHBondContact ND1-CB 3.44Å; H561-D581 WeakPolarHBondContact CA-OD2 3.17Å; H561-D581 WeakPolarHBondContact CB-OD2 3.42Å; H561-D581 IonicContact CE1-OD1 3.82Å; H561-D581 IonicContact CG-OD2 3.54Å; H561-D581 IonicContact ND1-OD1 3.84Å; H561-D581 PolarHBondContact ND1-OD1 3.17Å; H561-D581 IonicContact ND1-OD2 2.66Å; H561-D581 PolarHBondContact ND1-OD2 3.26Å; H561-T583 PolarHBondContact CE1-OG1 3.45Å; H561-T583 VanDerWaalsContact CE1-OG1 3.28Å; H561-T583 PolarHBondContact ND1-OG1 3.49Å; H561-R585 PolarHBondContact ND1-NE 2.95Å
562	R	91.3	Very high	73.1	Confident	132 Å²	132	64 Å²	64	50%	0.498	31%	0.309	S	S	.	.	S	Bend	trans	-106.6	9.3	178	-53.2	-166.8	-163.1	-167.3	12.1	113.4	D556 N558 D581	D556-R562 VanDerWaalsContact CG-NH2 3.29Å; D556-R562 IonicContact OD1-NH2 3.56Å; D556-R562 PolarHBondContact OD1-NH2 3.29Å; D556-R562 IonicContact OD2-CZ 2.99Å; D556-R562 IonicContact OD2-NH2 2.78Å; D556-R562 PolarHBondContact OD2-NH2 3.43Å; N558-R562 PolarHBondContact ND2-NH2 3.03Å; R562-D581 HydrophobicContact CB-CB 4.08Å; R562-D581 PolarHBondContact N-OD2 3.05Å
563	G	91.6	Very high	75.4	Confident	15 Å²	15	57.3 Å²	57.3	16%	0.155	29%	0.288	C	S	.	.	S	Bend	trans	-156.1	166	180	0	0	0	0	0	110.9	I565 S579	G563-I565 PolarHBondContact O-N 2.61Å; G563-S579 VanDerWaalsContact C-OG 3.26Å; G563-S579 PolarHBondContact O-OG 2.82Å
564	A	92.3	Very high	78.2	Confident	16 Å²	16	51.4 Å²	51.4	13%	0.132	26%	0.257	C	S	.	.			trans	-48.2	132.8	-177.1	0	0	0	0	0	112.9	R521 R566 S579 Y580	R521-A564 HydrophobicContact CB-CB 4.17Å; R521-A564 HydrophobicContact CG-CB 4.01Å; A564-R566 PolarHBondContact O-N 3.35Å; A564-S579 WeakPolarHBondContact O-CA 3.31Å; A564-S579 PolarHBondContact O-OG 3.01Å; A564-Y580 HydrophobicContact CB-CD2 3.81Å; A564-Y580 HydrophobicContact CB-CE2 4.28Å; A564-Y580 HydrophobicContact CB-CG 4.18Å; A564-Y580 PolarHBondContact O-N 2.95Å
565	I	94	Very high	81	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	115	176.4	-57.2	-169.9	0	0	0	108.5	S520 T523 T524 L525 H561 G563	S520-I565 PolarHBondContact O-N 3.03Å; T523-I565 WeakPolarHBondContact O-CD1 3.49Å; T524-I565 WeakPolarHBondContact O-CD1 3.1Å; L525-I565 HydrophobicContact CD1-CD1 4.48Å; L525-I565 HydrophobicContact CD2-CD1 3.75Å; L525-I565 HydrophobicContact CD2-CG2 4.03Å; L525-I565 HydrophobicContact CG-CD1 3.55Å; H561-I565 HydrophobicContact CB-CD1 4.49Å; H561-I565 HydrophobicContact CB-CG1 4.31Å; G563-I565 PolarHBondContact O-N 2.61Å
566	R	91.8	Very high	83.6	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-30.5	-170.2	-172.6	59	-171.6	66.7	6.9	113.4	N403 N405 A564 G578 Y580 V605 Y606	N403-R566 PolarHBondContact OD1-NH1 3.16Å; N403-R566 PolarHBondContact OD1-NH2 3.25Å; N405-R566 PolarHBondContact OD1-NH2 3.04Å; A564-R566 PolarHBondContact O-N 3.35Å; R566-G578 PolarHBondContact N-O 3.32Å; R566-Y580 HydrophobicContact CB-CD1 3.98Å; R566-Y580 HydrophobicContact CB-CE1 3.72Å; R566-Y580 HydrophobicContact CG-CD1 4.39Å; R566-Y580 HydrophobicContact CG-CE1 3.65Å; R566-V605 WeakPolarHBondContact CB-O 3.34Å; R566-Y606 HydrophobicContact CG-CD1 3.84Å; R566-Y606 HydrophobicContact CG-CE1 4.24Å; R566-Y606 HydrophobicContact CG-CG 4.47Å
567	C	92.2	Very high	86	Confident	5 Å²	5	31.5 Å²	31.5	3%	0.034	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	146.8	-177.1	52.4	0	0	0	0	111.2	S577 G578 L608	C567-S577 WeakPolarHBondContact O-CA 3.19Å; C567-G578 PolarHBondContact N-O 2.92Å; C567-G578 PolarHBondContact O-N 3.18Å; C567-L608 HydrophobicContact CB-CB 3.95Å; C567-L608 VanDerWaalsContact SG-CB 3.59Å
568	V	95.1	Very high	88.3	Confident	7 Å²	7	22.6 Å²	22.6	4%	0.042	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	148	-178.6	68.8	0	0	0	0	110.9	C387 A389 V517 L525 I575 V576	C387-V568 HydrophobicContact CB-CG1 4.19Å; A389-V568 HydrophobicContact CB-CG1 4.03Å; V517-V568 HydrophobicContact CG1-CG1 4.32Å; V517-V568 HydrophobicContact CG1-CG2 3.61Å; V517-V568 HydrophobicContact CG2-CG2 4.17Å; L525-V568 HydrophobicContact CD2-CB 4.44Å; L525-V568 HydrophobicContact CD2-CG2 3.89Å; V568-I575 HydrophobicContact CG2-CG2 3.78Å; V568-V576 CarbonylContact C-O 3.58Å; V568-V576 VanDerWaalsContact CA-O 3.26Å; V568-V576 WeakPolarHBondContact CA-O 3.04Å; V568-V576 WeakPolarHBondContact CG2-O 3.1Å
569	Q	93.3	Very high	90.2	Very high	16 Å²	16	18.8 Å²	18.8	8%	0.075	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.7	171.3	-69.6	-65.4	-33.9	0	0	110	I575 V576 L608 F610	Q569-I575 WeakPolarHBondContact O-CA 3.35Å; Q569-V576 PolarHBondContact N-O 3.35Å; Q569-V576 PolarHBondContact O-N 3.23Å; Q569-L608 HydrophobicContact CB-CD2 4.47Å; Q569-L608 HydrophobicContact CG-CD2 4.25Å; Q569-L608 HydrophobicContact CG-CG 4.29Å; Q569-L608 WeakPolarHBondContact CG-O 3.16Å; Q569-L608 PolarHBondContact NE2-O 2.84Å; Q569-F610 HydrophobicContact CB-CB 3.73Å; Q569-F610 HydrophobicContact CB-CD1 4.43Å; Q569-F610 HydrophobicContact CG-CB 4.15Å
570	F	90.3	Very high	91.3	Very high	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	123.5	-173	-179.2	-144.5	0	0	0	112.8	A389 Q391 K392 L515 V517 L527 G572 Q574 I575 A589	A389-F570 HydrophobicContact CB-CB 3.95Å; Q391-F570 HydrophobicContact CB-CD1 4.07Å; Q391-F570 HydrophobicContact CB-CE1 3.69Å; Q391-F570 HydrophobicContact CB-CZ 4.4Å; Q391-F570 HydrophobicContact CG-CE1 4.41Å; K392-F570 PolarHBondContact N-O 2.96Å; L515-F570 HydrophobicContact CB-CE1 3.65Å; L515-F570 HydrophobicContact CB-CZ 4.01Å; L515-F570 HydrophobicContact CD1-CZ 4.19Å; V517-F570 HydrophobicContact CG1-CB 3.8Å; V517-F570 HydrophobicContact CG1-CD1 4.36Å; V517-F570 HydrophobicContact CG1-CG 4.16Å; L527-F570 HydrophobicContact CD1-CE1 3.99Å; L527-F570 HydrophobicContact CD1-CZ 3.84Å; F570-G572 VanDerWaalsContact CE2-C 3.4Å; F570-G572 WeakPolarHBondContact CE2-O 3.32Å; F570-G572 WeakPolarHBondContact CZ-O 3.25Å; F570-Q574 WeakPolarHBondContact CD2-O 3.2Å; F570-I575 HydrophobicContact CB-CG1 4.47Å; F570-I575 HydrophobicContact CD2-CD1 4.3Å; F570-I575 HydrophobicContact CD2-CG1 3.41Å; F570-I575 VanDerWaalsContact CD2-CG1 3.41Å; F570-I575 HydrophobicContact CE2-CD1 4.35Å; F570-I575 HydrophobicContact CE2-CG1 3.87Å; F570-I575 HydrophobicContact CG-CG1 4.14Å; F570-A589 HydrophobicContact CE2-CB 3.73Å; F570-A589 HydrophobicContact CZ-CB 4.49Å
571	T	86	Confident	91.9	Very high	30 Å²	30	19.2 Å²	19.2	18%	0.184	10%	0.098	C	C	.	.			trans	-111.8	27.7	-179.8	60.3	0	0	0	0	112.6	N573 Q574 F610	T571-N573 PolarHBondContact O-N 3.34Å; T571-N573 PolarHBondContact O-OD1 2.57Å; T571-N573 PolarHBondContact OG1-OD1 2.9Å; T571-N573 VanDerWaalsContact OG1-OD1 3.1Å; T571-Q574 PolarHBondContact N-O 2.87Å; T571-Q574 PolarHBondContact OG1-O 3.18Å; T571-F610 HydrophobicContact CG2-CD1 3.61Å; T571-F610 HydrophobicContact CG2-CE1 3.52Å; T571-F610 HydrophobicContact CG2-CZ 4.43Å; T571-F610 WeakPolarHBondContact OG1-CE1 3.45Å
572	G	82.1	Confident	92.2	Very high	6 Å²	6	20.6 Å²	20.6	6%	0.062	11%	0.108	C	C	.	.	S	Bend	trans	79.4	-51.2	-178.1	0	0	0	0	0	114.4	F510 F570	F510-G572 VanDerWaalsContact CD1-O 3.3Å; F510-G572 WeakPolarHBondContact CD1-O 3.33Å; F510-G572 WeakPolarHBondContact CE1-O 3.21Å; F570-G572 VanDerWaalsContact CE2-C 3.4Å; F570-G572 WeakPolarHBondContact CE2-O 3.32Å; F570-G572 WeakPolarHBondContact CZ-O 3.25Å
573	N	87.2	Confident	92.4	Very high	85 Å²	85	15 Å²	15	46%	0.455	9%	0.089	S	C	.	.	S	Bend	trans	-93.9	-28.1	178.4	65.7	-14.8	0	0	0	113.9	T571 A589	T571-N573 PolarHBondContact O-N 3.34Å; T571-N573 PolarHBondContact O-OD1 2.57Å; T571-N573 PolarHBondContact OG1-OD1 2.9Å; T571-N573 VanDerWaalsContact OG1-OD1 3.1Å; N573-A589 WeakPolarHBondContact O-CB 3.47Å; N573-A589 PolarHBondContact O-N 2.91Å
574	Q	91.5	Very high	92.6	Very high	22 Å²	22	14.3 Å²	14.3	10%	0.103	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.6	-172.6	-69.5	179.1	20.9	0	0	110.5	F570 T571 L586 W587 F610 H630	F570-Q574 WeakPolarHBondContact CD2-O 3.2Å; T571-Q574 PolarHBondContact N-O 2.87Å; T571-Q574 PolarHBondContact OG1-O 3.18Å; Q574-L586 HydrophobicContact CB-CD1 3.98Å; Q574-L586 HydrophobicContact CG-CD1 4.3Å; Q574-W587 WeakPolarHBondContact CA-O 3.49Å; Q574-F610 HydrophobicContact CB-CE1 3.93Å; Q574-F610 HydrophobicContact CB-CZ 4.07Å; Q574-H630 PolarHBondContact NE2-NE2 3.1Å
575	I	94.1	Very high	92.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.7	173.1	-66.4	158	0	0	0	107.7	V517 L525 L527 F539 V568 Q569 F570 L586 W587 A589	V517-I575 HydrophobicContact CB-CD1 4.16Å; V517-I575 HydrophobicContact CB-CG1 4.42Å; V517-I575 HydrophobicContact CG1-CG1 4.36Å; V517-I575 HydrophobicContact CG1-CG2 4.33Å; V517-I575 HydrophobicContact CG2-CD1 3.99Å; V517-I575 HydrophobicContact CG2-CG1 4.46Å; V517-I575 HydrophobicContact CG2-CG2 4.12Å; L525-I575 HydrophobicContact CD1-CG2 4.01Å; L527-I575 HydrophobicContact CD1-CD1 4.5Å; F539-I575 HydrophobicContact CE1-CD1 4.04Å; F539-I575 HydrophobicContact CE2-CD1 3.92Å; F539-I575 HydrophobicContact CZ-CD1 3.44Å; F539-I575 VanDerWaalsContact CZ-CD1 3.44Å; V568-I575 HydrophobicContact CG2-CG2 3.78Å; Q569-I575 WeakPolarHBondContact O-CA 3.35Å; F570-I575 HydrophobicContact CB-CG1 4.47Å; F570-I575 HydrophobicContact CD2-CD1 4.3Å; F570-I575 HydrophobicContact CD2-CG1 3.41Å; F570-I575 VanDerWaalsContact CD2-CG1 3.41Å; F570-I575 HydrophobicContact CE2-CD1 4.35Å; F570-I575 HydrophobicContact CE2-CG1 3.87Å; F570-I575 HydrophobicContact CG-CG1 4.14Å; I575-L586 CarbonylContact O-C 3.59Å; I575-L586 WeakPolarHBondContact O-CA 3.43Å; I575-W587 HydrophobicContact CB-CB 4.29Å; I575-W587 PolarHBondContact N-O 2.68Å; I575-W587 PolarHBondContact O-N 3.2Å; I575-A589 HydrophobicContact CD1-CB 3.73Å; I575-A589 HydrophobicContact CG1-CB 4.01Å
576	V	94.5	Very high	92.8	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.6	170.8	-172.2	0	0	0	0	108.9	V568 Q569 I584 R585 L586 L608 F610 I615	V568-V576 CarbonylContact C-O 3.58Å; V568-V576 VanDerWaalsContact CA-O 3.26Å; V568-V576 WeakPolarHBondContact CA-O 3.04Å; V568-V576 WeakPolarHBondContact CG2-O 3.1Å; Q569-V576 PolarHBondContact N-O 3.35Å; Q569-V576 PolarHBondContact O-N 3.23Å; V576-I584 HydrophobicContact CG1-CG2 3.54Å; V576-R585 CarbonylContact C-O 3.57Å; V576-R585 VanDerWaalsContact CA-O 3.3Å; V576-R585 WeakPolarHBondContact CA-O 3.47Å; V576-L586 HydrophobicContact CG2-CD1 3.6Å; V576-L608 HydrophobicContact CB-CD2 4.06Å; V576-L608 HydrophobicContact CG1-CD1 3.96Å; V576-L608 HydrophobicContact CG1-CD2 3.83Å; V576-L608 HydrophobicContact CG1-CG 4.35Å; V576-L608 VanDerWaalsContact O-CD2 3.26Å; V576-L608 WeakPolarHBondContact O-CD2 3.26Å; V576-F610 HydrophobicContact CB-CB 4.46Å; V576-F610 HydrophobicContact CB-CD1 4.35Å; V576-F610 HydrophobicContact CB-CG 4.31Å; V576-F610 HydrophobicContact CG2-CB 4.22Å; V576-F610 HydrophobicContact CG2-CD1 3.52Å; V576-F610 HydrophobicContact CG2-CD2 3.8Å; V576-F610 HydrophobicContact CG2-CE1 3.73Å; V576-F610 HydrophobicContact CG2-CE2 4.02Å; V576-F610 HydrophobicContact CG2-CG 3.57Å; V576-F610 HydrophobicContact CG2-CZ 3.98Å; V576-I615 HydrophobicContact CG1-CD1 3.77Å; V576-I615 HydrophobicContact CG1-CG1 4.01Å; V576-I615 HydrophobicContact CG1-CG2 3.94Å; V576-I615 HydrophobicContact CG2-CD1 3.93Å; V576-I615 HydrophobicContact CG2-CG1 4.03Å
577	S	95	Very high	92.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.8	179.9	54.9	0	0	0	0	111.9	H561 C567 I584 R585 W587	H561-S577 PolarHBondContact NE2-OG 2.86Å; C567-S577 WeakPolarHBondContact O-CA 3.19Å; S577-I584 CarbonylContact O-C 3.54Å; S577-I584 WeakPolarHBondContact O-CA 3.21Å; S577-I584 WeakPolarHBondContact O-CG2 3.45Å; S577-R585 PolarHBondContact N-O 2.89Å; S577-R585 PolarHBondContact O-N 2.89Å; S577-W587 PolarHBondContact OG-NE1 2.87Å
578	G	94.3	Very high	92.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.3	170.5	0	0	0	0	0	110.9	R566 C567	R566-G578 PolarHBondContact N-O 3.32Å; C567-G578 PolarHBondContact N-O 2.92Å; C567-G578 PolarHBondContact O-N 3.18Å
579	S	95	Very high	92.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164	-170.9	169	0	0	0	0	113.3	H561 G563 A564 D581 C582 T583 V605	H561-S579 VanDerWaalsContact CE1-CB 3.42Å; H561-S579 WeakPolarHBondContact CE1-CB 3.46Å; H561-S579 WeakPolarHBondContact ND1-CB 3.44Å; G563-S579 VanDerWaalsContact C-OG 3.26Å; G563-S579 PolarHBondContact O-OG 2.82Å; A564-S579 WeakPolarHBondContact O-CA 3.31Å; A564-S579 PolarHBondContact O-OG 3.01Å; S579-D581 VanDerWaalsContact CB-OD1 3.29Å; S579-D581 WeakPolarHBondContact CB-OD1 3.1Å; S579-D581 PolarHBondContact O-N 3.45Å; S579-D581 VanDerWaalsContact OG-CG 3.31Å; S579-D581 PolarHBondContact OG-N 2.81Å; S579-D581 PolarHBondContact OG-OD1 3.34Å; S579-C582 PolarHBondContact O-N 2.98Å; S579-T583 PolarHBondContact N-O 2.73Å; S579-V605 PolarHBondContact O-N 3.22Å
580	Y	94.6	Very high	92	Very high	28 Å²	28	16.1 Å²	16.1	11%	0.11	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.7	166.8	-71.9	2.6	0	0	0	113.4	D446 A564 R566 C582 R604 Y606	D446-Y580 PolarHBondContact OD1-OH 3.08Å; A564-Y580 HydrophobicContact CB-CD2 3.81Å; A564-Y580 HydrophobicContact CB-CE2 4.28Å; A564-Y580 HydrophobicContact CB-CG 4.18Å; A564-Y580 PolarHBondContact O-N 2.95Å; R566-Y580 HydrophobicContact CB-CD1 3.98Å; R566-Y580 HydrophobicContact CB-CE1 3.72Å; R566-Y580 HydrophobicContact CG-CD1 4.39Å; R566-Y580 HydrophobicContact CG-CE1 3.65Å; Y580-C582 PolarHBondContact O-N 2.82Å; Y580-C582 VanDerWaalsContact O-N 3.12Å; Y580-R604 HydrophobicContact CD1-CB 3.74Å; Y580-R604 HydrophobicContact CD1-CG 3.97Å; Y580-R604 HydrophobicContact CE1-CB 4.32Å; Y580-R604 HydrophobicContact CG-CB 4.21Å; Y580-R604 HydrophobicContact CG-CG 3.91Å; Y580-Y606 HydrophobicContact CE1-CD1 4.45Å; Y580-Y606 AromaticContact CE1-CE1 3.78Å; Y580-Y606 HydrophobicContact CE1-CE1 3.78Å; Y580-Y606 HydrophobicContact CE1-CE2 4.28Å; Y580-Y606 AromaticContact CE1-CZ 3.69Å
581	D	94.3	Very high	91.8	Very high	33 Å²	33	20.3 Å²	20.3	18%	0.176	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	10.5	169.7	72.6	9.7	0	0	0	114.5	H561 R562 S579 T583	H561-D581 WeakPolarHBondContact CA-OD2 3.17Å; H561-D581 WeakPolarHBondContact CB-OD2 3.42Å; H561-D581 IonicContact CE1-OD1 3.82Å; H561-D581 IonicContact CG-OD2 3.54Å; H561-D581 IonicContact ND1-OD1 3.84Å; H561-D581 PolarHBondContact ND1-OD1 3.17Å; H561-D581 IonicContact ND1-OD2 2.66Å; H561-D581 PolarHBondContact ND1-OD2 3.26Å; R562-D581 HydrophobicContact CB-CB 4.08Å; R562-D581 PolarHBondContact N-OD2 3.05Å; S579-D581 VanDerWaalsContact CB-OD1 3.29Å; S579-D581 WeakPolarHBondContact CB-OD1 3.1Å; S579-D581 PolarHBondContact O-N 3.45Å; S579-D581 VanDerWaalsContact OG-CG 3.31Å; S579-D581 PolarHBondContact OG-N 2.81Å; S579-D581 PolarHBondContact OG-OD1 3.34Å; D581-T583 VanDerWaalsContact CG-OG1 3.28Å; D581-T583 PolarHBondContact O-N 2.81Å; D581-T583 VanDerWaalsContact O-N 3.12Å; D581-T583 WeakPolarHBondContact OD1-CA 3.34Å; D581-T583 VanDerWaalsContact OD1-CB 3.3Å; D581-T583 WeakPolarHBondContact OD1-CB 3.48Å; D581-T583 PolarHBondContact OD1-N 2.78Å; D581-T583 PolarHBondContact OD1-OG1 2.96Å; D581-T583 PolarHBondContact OD2-OG1 2.86Å
582	C	96.1	Very high	91.8	Very high	33 Å²	33	19.1 Å²	19.1	22%	0.223	10%	0.103	C	C	.	.	S	Bend	trans	65.9	1	-177.4	-46.2	0	0	0	0	114.9	S579 Y580 H601 N603	S579-C582 PolarHBondContact O-N 2.98Å; Y580-C582 PolarHBondContact O-N 2.82Å; Y580-C582 VanDerWaalsContact O-N 3.12Å; C582-H601 WeakPolarHBondContact CB-O 3.33Å; C582-N603 WeakPolarHBondContact SG-CA 3.43Å
583	T	95.7	Very high	92	Very high	16 Å²	16	21 Å²	21	10%	0.098	11%	0.11	C	C	.	.			trans	-97.3	156.4	178.6	76.2	0	0	0	0	112.5	H561 S579 D581 V597	H561-T583 PolarHBondContact CE1-OG1 3.45Å; H561-T583 VanDerWaalsContact CE1-OG1 3.28Å; H561-T583 PolarHBondContact ND1-OG1 3.49Å; S579-T583 PolarHBondContact N-O 2.73Å; D581-T583 VanDerWaalsContact CG-OG1 3.28Å; D581-T583 PolarHBondContact O-N 2.81Å; D581-T583 VanDerWaalsContact O-N 3.12Å; D581-T583 WeakPolarHBondContact OD1-CA 3.34Å; D581-T583 VanDerWaalsContact OD1-CB 3.3Å; D581-T583 WeakPolarHBondContact OD1-CB 3.48Å; D581-T583 PolarHBondContact OD1-N 2.78Å; D581-T583 PolarHBondContact OD1-OG1 2.96Å; D581-T583 PolarHBondContact OD2-OG1 2.86Å; T583-V597 HydrophobicContact CG2-CG1 4.18Å
584	I	96.2	Very high	92.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	143.1	161.1	-60.1	144.9	0	0	0	107.3	V576 S577 V597 F598 V605 L608 I615 S617	V576-I584 HydrophobicContact CG1-CG2 3.54Å; S577-I584 CarbonylContact O-C 3.54Å; S577-I584 WeakPolarHBondContact O-CA 3.21Å; S577-I584 WeakPolarHBondContact O-CG2 3.45Å; I584-V597 CarbonylContact O-C 3.57Å; I584-F598 HydrophobicContact CB-CB 4.2Å; I584-F598 HydrophobicContact CB-CD2 4.26Å; I584-F598 HydrophobicContact CG2-CD2 4.17Å; I584-F598 PolarHBondContact N-O 2.86Å; I584-F598 VanDerWaalsContact N-O 3.12Å; I584-F598 WeakPolarHBondContact O-CD2 3.39Å; I584-F598 PolarHBondContact O-N 3.18Å; I584-V605 HydrophobicContact CD1-CG1 4.46Å; I584-V605 HydrophobicContact CG1-CG1 4.12Å; I584-V605 HydrophobicContact CG1-CG2 4.21Å; I584-L608 HydrophobicContact CG2-CD1 4.16Å; I584-I615 HydrophobicContact CG2-CG2 4.14Å; I584-S617 WeakPolarHBondContact CD1-OG 3.43Å
585	R	94.9	Very high	92.1	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.015	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.7	177.8	-65	178.4	-170.9	-100.5	1.6	110.4	N558 V559 S560 H561 V576 S577 W587 R596 V597	N558-R585 PolarHBondContact O-NH1 3.48Å; N558-R585 PolarHBondContact O-NH2 2.86Å; V559-R585 VanDerWaalsContact CA-NH1 3.29Å; V559-R585 PolarHBondContact O-NH1 2.95Å; S560-R585 PolarHBondContact O-NH2 3.19Å; H561-R585 PolarHBondContact ND1-NE 2.95Å; V576-R585 CarbonylContact C-O 3.57Å; V576-R585 VanDerWaalsContact CA-O 3.3Å; V576-R585 WeakPolarHBondContact CA-O 3.47Å; S577-R585 PolarHBondContact N-O 2.89Å; S577-R585 PolarHBondContact O-N 2.89Å; R585-W587 HydrophobicContact CB-CZ2 3.73Å; R585-W587 HydrophobicContact CG-CZ2 4.24Å; R585-R596 WeakPolarHBondContact CA-O 3.23Å; R585-V597 HydrophobicContact CG-CG1 4.15Å; R585-V597 HydrophobicContact CG-CG2 4.3Å
586	L	94.6	Very high	92	Very high	4 Å²	4	24 Å²	24	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.1	172.6	170.1	70.4	0	0	0	108.1	Q574 I575 V576 L595 R596 F598 F610 A629	Q574-L586 HydrophobicContact CB-CD1 3.98Å; Q574-L586 HydrophobicContact CG-CD1 4.3Å; I575-L586 CarbonylContact O-C 3.59Å; I575-L586 WeakPolarHBondContact O-CA 3.43Å; V576-L586 HydrophobicContact CG2-CD1 3.6Å; L586-L595 HydrophobicContact CD2-CB 4.24Å; L586-L595 HydrophobicContact CD2-CD1 4.4Å; L586-L595 HydrophobicContact CG-CB 4.16Å; L586-L595 HydrophobicContact CG-CD1 4.22Å; L586-L595 WeakPolarHBondContact O-CA 3.48Å; L586-L595 WeakPolarHBondContact O-CB 3.33Å; L586-L595 PolarHBondContact O-N 2.74Å; L586-R596 HydrophobicContact CB-CB 4.39Å; L586-R596 PolarHBondContact N-O 3.3Å; L586-R596 PolarHBondContact O-N 2.89Å; L586-F598 HydrophobicContact CB-CE2 3.84Å; L586-F598 HydrophobicContact CB-CZ 4.45Å; L586-F610 HydrophobicContact CD1-CZ 4.3Å; L586-A629 HydrophobicContact CD2-CB 4.17Å; L586-A629 VanDerWaalsContact CD2-O 3.22Å; L586-A629 WeakPolarHBondContact CD2-O 3.46Å
587	W	93.2	Very high	91.9	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.3	-173.4	-47.1	83.5	0	0	0	111.4	L525 F539 V559 Q574 I575 S577 R585 A589 H593 C594	L525-W587 HydrophobicContact CD1-CD2 4.4Å; L525-W587 HydrophobicContact CD1-CG 4.38Å; L525-W587 HydrophobicContact CD1-CZ2 4.29Å; F539-W587 HydrophobicContact CB-CD2 4.27Å; F539-W587 HydrophobicContact CB-CE3 3.93Å; F539-W587 HydrophobicContact CB-CH2 4.18Å; F539-W587 HydrophobicContact CB-CZ2 4.5Å; F539-W587 HydrophobicContact CB-CZ3 3.89Å; F539-W587 HydrophobicContact CD1-CB 3.88Å; F539-W587 AromaticContact CD1-CD2 3.9Å; F539-W587 HydrophobicContact CD1-CD2 3.9Å; F539-W587 AromaticContact CD1-CE3 3.7Å; F539-W587 HydrophobicContact CD1-CE3 3.7Å; F539-W587 HydrophobicContact CD1-CG 4.02Å; F539-W587 HydrophobicContact CD1-CZ3 4.45Å; F539-W587 HydrophobicContact CE1-CB 3.93Å; F539-W587 HydrophobicContact CE1-CG 4.5Å; F539-W587 HydrophobicContact CG-CD2 4.43Å; F539-W587 HydrophobicContact CG-CE3 4.27Å; V559-W587 WeakPolarHBondContact O-CH2 3.21Å; Q574-W587 WeakPolarHBondContact CA-O 3.49Å; I575-W587 HydrophobicContact CB-CB 4.29Å; I575-W587 PolarHBondContact N-O 2.68Å; I575-W587 PolarHBondContact O-N 3.2Å; S577-W587 PolarHBondContact OG-NE1 2.87Å; R585-W587 HydrophobicContact CB-CZ2 3.73Å; R585-W587 HydrophobicContact CG-CZ2 4.24Å; W587-A589 PolarHBondContact O-N 2.82Å; W587-H593 CarbonylContact C-O 3.39Å; W587-H593 WeakPolarHBondContact CA-O 3.5Å; W587-C594 HydrophobicContact CD2-CB 4.32Å; W587-C594 HydrophobicContact CE3-CB 3.62Å; W587-C594 HydrophobicContact CH2-CB 4.31Å; W587-C594 HydrophobicContact CZ3-CB 3.62Å
588	C	91.2	Very high	91.9	Very high	21 Å²	21	26.8 Å²	26.8	14%	0.142	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115.3	163.6	-178.7	0	0	0	0	108.2	L590 Q591 G592 H593 L595	C588-L590 VanDerWaalsContact C-N 3.35Å; C588-L590 PolarHBondContact O-N 3.2Å; C588-Q591 HydrophobicContact CB-CB 4.19Å; C588-Q591 PolarHBondContact O-N 2.95Å; C588-G592 PolarHBondContact O-N 2.83Å; C588-H593 PolarHBondContact N-O 2.89Å; C588-L595 HydrophobicContact CB-CD1 4.07Å; C588-L595 HydrophobicContact CB-CD2 4.08Å; C588-L595 HydrophobicContact CB-CG 4.09Å
589	A	89.4	Confident	91.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-39.2	-175.3	0	0	0	0	0	112.3	F510 F570 N573 I575 W587	F510-A589 HydrophobicContact CE1-CB 3.64Å; F510-A589 VanDerWaalsContact CZ-C 3.5Å; F510-A589 HydrophobicContact CZ-CB 4.11Å; F510-A589 WeakPolarHBondContact CZ-O 3.38Å; F570-A589 HydrophobicContact CE2-CB 3.73Å; F570-A589 HydrophobicContact CZ-CB 4.49Å; N573-A589 WeakPolarHBondContact O-CB 3.47Å; N573-A589 PolarHBondContact O-N 2.91Å; I575-A589 HydrophobicContact CD1-CB 3.73Å; I575-A589 HydrophobicContact CG1-CB 4.01Å; W587-A589 PolarHBondContact O-N 2.82Å
590	L	82.1	Confident	91.7	Very high	54 Å²	54	32.6 Å²	32.6	28%	0.283	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-44.4	177.8	-85.1	159.8	0	0	0	113.4	Q506 F510 C588	Q506-L590 HydrophobicContact CB-CD2 4.38Å; F510-L590 HydrophobicContact CB-CD2 4.22Å; F510-L590 HydrophobicContact CD1-CD2 4.1Å; F510-L590 HydrophobicContact CD1-CG 3.9Å; F510-L590 HydrophobicContact CD2-CD2 3.35Å; F510-L590 HydrophobicContact CD2-CG 4.04Å; F510-L590 HydrophobicContact CE1-CD2 4.27Å; F510-L590 HydrophobicContact CE1-CG 3.88Å; F510-L590 HydrophobicContact CE2-CD2 3.52Å; F510-L590 HydrophobicContact CE2-CG 3.98Å; F510-L590 HydrophobicContact CG-CD2 3.62Å; F510-L590 HydrophobicContact CG-CG 3.96Å; F510-L590 HydrophobicContact CZ-CB 4.31Å; F510-L590 HydrophobicContact CZ-CD2 3.96Å; F510-L590 HydrophobicContact CZ-CG 3.87Å; C588-L590 VanDerWaalsContact C-N 3.35Å; C588-L590 PolarHBondContact O-N 3.2Å
591	Q	85.1	Confident	91.8	Very high	89 Å²	89	31.7 Å²	31.7	42%	0.416	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-13.2	-171	-61	-179.8	-13.4	0	0	113.7	C588 H593	C588-Q591 HydrophobicContact CB-CB 4.19Å; C588-Q591 PolarHBondContact O-N 2.95Å; Q591-H593 WeakPolarHBondContact CB-ND1 3.47Å; Q591-H593 PolarHBondContact O-N 3.07Å; Q591-H593 VanDerWaalsContact O-N 3.16Å; Q591-H593 PolarHBondContact OE1-ND1 2.79Å
592	G	85.8	Confident	92	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	20%	0.201	C	C	.	.			trans	74.3	-7.2	-173.9	0	0	0	0	0	115.2	C588	C588-G592 PolarHBondContact O-N 2.83Å
593	H	86.2	Confident	92	Very high	45 Å²	45	37 Å²	37	21%	0.208	21%	0.205	C	C	.	.			trans	-71	139.2	-177.4	-57.1	141.9	0	0	0	112.5	N542 F544 W587 C588 Q591 L595	N542-H593 WeakPolarHBondContact O-CA 2.88Å; F544-H593 HydrophobicContact CB-CB 3.98Å; F544-H593 AromaticContact CD2-CE1 3.53Å; F544-H593 AromaticContact CD2-ND1 3.32Å; F544-H593 VanDerWaalsContact CD2-ND1 3.32Å; F544-H593 WeakPolarHBondContact CD2-ND1 3.29Å; W587-H593 CarbonylContact C-O 3.39Å; W587-H593 WeakPolarHBondContact CA-O 3.5Å; C588-H593 PolarHBondContact N-O 2.89Å; Q591-H593 WeakPolarHBondContact CB-ND1 3.47Å; Q591-H593 PolarHBondContact O-N 3.07Å; Q591-H593 VanDerWaalsContact O-N 3.16Å; Q591-H593 PolarHBondContact OE1-ND1 2.79Å; H593-L595 PolarHBondContact O-N 2.84Å
594	C	90.8	Very high	91.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	118.8	164	-170.5	0	0	0	0	108.6	N542 L543 V559 W587 R596	N542-C594 PolarHBondContact O-N 3.46Å; L543-C594 HydrophobicContact CD1-CB 4.44Å; V559-C594 HydrophobicContact CG1-CB 3.2Å; W587-C594 HydrophobicContact CD2-CB 4.32Å; W587-C594 HydrophobicContact CE3-CB 3.62Å; W587-C594 HydrophobicContact CH2-CB 4.31Å; W587-C594 HydrophobicContact CZ3-CB 3.62Å; C594-R596 PolarHBondContact SG-O 2.86Å
595	L	90.7	Very high	91.8	Very high	68 Å²	68	38.6 Å²	38.6	36%	0.356	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-41.9	177.3	-62.7	174.9	0	0	0	111.2	L586 C588 H593	L586-L595 HydrophobicContact CD2-CB 4.24Å; L586-L595 HydrophobicContact CD2-CD1 4.4Å; L586-L595 HydrophobicContact CG-CB 4.16Å; L586-L595 HydrophobicContact CG-CD1 4.22Å; L586-L595 WeakPolarHBondContact O-CA 3.48Å; L586-L595 WeakPolarHBondContact O-CB 3.33Å; L586-L595 PolarHBondContact O-N 2.74Å; C588-L595 HydrophobicContact CB-CD1 4.07Å; C588-L595 HydrophobicContact CB-CD2 4.08Å; C588-L595 HydrophobicContact CB-CG 4.09Å; H593-L595 PolarHBondContact O-N 2.84Å
596	R	91.7	Very high	91.5	Very high	101 Å²	101	38.5 Å²	38.5	38%	0.381	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	149.5	179.1	-61.9	-165.1	-175.5	-66.5	-6.3	112.5	R585 L586 C594 F598 A629 H630	R585-R596 WeakPolarHBondContact CA-O 3.23Å; L586-R596 HydrophobicContact CB-CB 4.39Å; L586-R596 PolarHBondContact N-O 3.3Å; L586-R596 PolarHBondContact O-N 2.89Å; C594-R596 PolarHBondContact SG-O 2.86Å; R596-F598 HydrophobicContact CB-CD2 4.48Å; R596-F598 HydrophobicContact CB-CE2 3.81Å; R596-F598 HydrophobicContact CB-CZ 3.94Å; R596-A629 WeakPolarHBondContact CD-O 3.38Å; R596-H630 VanDerWaalsContact CZ-O 3.22Å; R596-H630 PolarHBondContact NE-O 2.9Å; R596-H630 PolarHBondContact NH2-O 3.47Å
597	V	93	Very high	91.2	Very high	56 Å²	56	38.3 Å²	38.3	34%	0.339	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.7	167.7	-169.3	0	0	0	0	107.7	T583 I584 R585	T583-V597 HydrophobicContact CG2-CG1 4.18Å; I584-V597 CarbonylContact O-C 3.57Å; R585-V597 HydrophobicContact CG-CG1 4.15Å; R585-V597 HydrophobicContact CG-CG2 4.3Å
598	F	95	Very high	91	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	104.8	179.8	-51.5	-102.6	0	0	0	108.9	I584 L586 R596 I615 W627	I584-F598 HydrophobicContact CB-CB 4.2Å; I584-F598 HydrophobicContact CB-CD2 4.26Å; I584-F598 HydrophobicContact CG2-CD2 4.17Å; I584-F598 PolarHBondContact N-O 2.86Å; I584-F598 VanDerWaalsContact N-O 3.12Å; I584-F598 WeakPolarHBondContact O-CD2 3.39Å; I584-F598 PolarHBondContact O-N 3.18Å; L586-F598 HydrophobicContact CB-CE2 3.84Å; L586-F598 HydrophobicContact CB-CZ 4.45Å; R596-F598 HydrophobicContact CB-CD2 4.48Å; R596-F598 HydrophobicContact CB-CE2 3.81Å; R596-F598 HydrophobicContact CB-CZ 3.94Å; F598-I615 HydrophobicContact CD2-CD1 4.44Å; F598-I615 HydrophobicContact CE1-CD1 4.38Å; F598-I615 HydrophobicContact CE2-CD1 3.62Å; F598-I615 HydrophobicContact CZ-CD1 3.58Å; F598-W627 HydrophobicContact CB-CD2 4.28Å; F598-W627 HydrophobicContact CB-CE3 4.4Å; F598-W627 HydrophobicContact CB-CH2 4.06Å; F598-W627 HydrophobicContact CB-CZ2 3.99Å; F598-W627 HydrophobicContact CB-CZ3 4.28Å; F598-W627 HydrophobicContact CD1-CB 4.05Å; F598-W627 AromaticContact CD1-CD2 3.62Å; F598-W627 HydrophobicContact CD1-CD2 3.62Å; F598-W627 AromaticContact CD1-CE3 3.48Å; F598-W627 HydrophobicContact CD1-CE3 3.48Å; F598-W627 VanDerWaalsContact CD1-CE3 3.48Å; F598-W627 AromaticContact CD1-CG 3.91Å; F598-W627 HydrophobicContact CD1-CG 3.91Å; F598-W627 AromaticContact CD1-CZ3 3.97Å; F598-W627 HydrophobicContact CD1-CZ3 3.97Å; F598-W627 HydrophobicContact CE1-CB 3.88Å; F598-W627 HydrophobicContact CE1-CD2 4.34Å; F598-W627 HydrophobicContact CE1-CE3 4.22Å; F598-W627 HydrophobicContact CE1-CG 4.26Å; F598-W627 HydrophobicContact CG-CD2 4.3Å; F598-W627 HydrophobicContact CG-CE3 4.39Å
599	S	92.4	Very high	91	Very high	89 Å²	89	37.3 Å²	37.3	62%	0.622	20%	0.202	S	C	*	.			trans	-117.7	65.6	-170	-53.1	0	0	0	0	111.6
600	A	93.5	Very high	91	Very high	32 Å²	32	37.4 Å²	37.4	26%	0.264	20%	0.202	S	C	.	.			trans	-127.7	-4.5	173.7	0	0	0	0	0	114.7	R625 W627	A600-R625 PolarHBondContact O-NE 3.43Å; A600-R625 PolarHBondContact O-NH2 3.16Å; A600-W627 HydrophobicContact CB-CH2 3.51Å; A600-W627 HydrophobicContact CB-CZ2 3.85Å
601	H	96.7	Very high	91	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.046	20%	0.199	C	C	.	.			trans	-75.8	140.5	164.4	-78.5	-64.2	0	0	0	109.1	C582 V605 S617 S619 D621 T623	C582-H601 WeakPolarHBondContact CB-O 3.33Å; H601-V605 HydrophobicContact CB-CG2 4.08Å; H601-S617 PolarHBondContact NE2-OG 3.22Å; H601-S619 WeakPolarHBondContact ND1-CB 3.26Å; H601-D621 WeakPolarHBondContact CA-OD2 3.45Å; H601-D621 WeakPolarHBondContact CB-OD2 3.36Å; H601-D621 IonicContact CE1-OD1 3.84Å; H601-D621 IonicContact CE1-OD2 2.85Å; H601-D621 IonicContact CG-OD2 2.68Å; H601-D621 IonicContact ND1-OD1 3.53Å; H601-D621 PolarHBondContact ND1-OD1 2.95Å; H601-D621 IonicContact ND1-OD2 3.25Å; H601-D621 PolarHBondContact ND1-OD2 2.9Å; H601-T623 PolarHBondContact CE1-OG1 3.02Å; H601-T623 VanDerWaalsContact CE1-OG1 3.27Å; H601-T623 PolarHBondContact ND1-OG1 3.39Å
602	T	97	Very high	91	Very high	119 Å²	119	33.4 Å²	33.4	73%	0.73	19%	0.189	S	C	*	.	S	Bend	trans	-99.9	3.1	179.8	58.5	0	0	0	0	113.1	D621	T602-D621 PolarHBondContact N-OD2 3.19Å; T602-D621 WeakPolarHBondContact OG1-CB 3.35Å
603	N	96.1	Very high	91.2	Very high	57 Å²	57	38.5 Å²	38.5	31%	0.305	21%	0.207	S	C	.	.	S	Bend	trans	-151.3	169.6	177.1	-151.1	-30.5	0	0	0	110.7	C582 V605 S619 L620 D621	C582-N603 WeakPolarHBondContact SG-CA 3.43Å; N603-V605 PolarHBondContact O-N 3.16Å; N603-S619 PolarHBondContact O-OG 2.76Å; N603-L620 HydrophobicContact CB-CB 4.14Å; N603-D621 HydrophobicContact CB-CB 3.87Å
604	R	94.5	Very high	91.5	Very high	51 Å²	51	38.2 Å²	38.2	19%	0.192	21%	0.205	C	C	.	.			trans	-43.7	129.5	-176.8	-60.6	-177.4	-177.3	-170.7	6.4	112.5	S445 Y580 Y606 S619 L620	S445-R604 PolarHBondContact O-NH1 3.11Å; Y580-R604 HydrophobicContact CD1-CB 3.74Å; Y580-R604 HydrophobicContact CD1-CG 3.97Å; Y580-R604 HydrophobicContact CE1-CB 4.32Å; Y580-R604 HydrophobicContact CG-CB 4.21Å; Y580-R604 HydrophobicContact CG-CG 3.91Å; R604-Y606 HydrophobicContact CB-CD2 4.32Å; R604-Y606 HydrophobicContact CB-CE2 3.67Å; R604-Y606 WeakPolarHBondContact O-CD2 3.43Å; R604-S619 WeakPolarHBondContact O-CA 3.39Å; R604-S619 PolarHBondContact O-OG 3.49Å; R604-S619 VanDerWaalsContact O-OG 3.06Å; R604-L620 PolarHBondContact O-N 3.42Å
605	V	93.7	Very high	91.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.8	178.3	-177.2	0	0	0	0	110.1	R566 S579 I584 H601 N603	R566-V605 WeakPolarHBondContact CB-O 3.34Å; S579-V605 PolarHBondContact O-N 3.22Å; I584-V605 HydrophobicContact CD1-CG1 4.46Å; I584-V605 HydrophobicContact CG1-CG1 4.12Å; I584-V605 HydrophobicContact CG1-CG2 4.21Å; H601-V605 HydrophobicContact CB-CG2 4.08Å; N603-V605 PolarHBondContact O-N 3.16Å
606	Y	89.1	Confident	91.9	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-32.2	-171.2	-84.5	-86.5	0	0	0	115.2	N403 L449 R566 Y580 R604 G618 L620 L644	N403-Y606 PolarHBondContact ND2-O 3.26Å; L449-Y606 WeakPolarHBondContact CD1-OH 3.3Å; R566-Y606 HydrophobicContact CG-CD1 3.84Å; R566-Y606 HydrophobicContact CG-CE1 4.24Å; R566-Y606 HydrophobicContact CG-CG 4.47Å; Y580-Y606 HydrophobicContact CE1-CD1 4.45Å; Y580-Y606 AromaticContact CE1-CE1 3.78Å; Y580-Y606 HydrophobicContact CE1-CE1 3.78Å; Y580-Y606 HydrophobicContact CE1-CE2 4.28Å; Y580-Y606 AromaticContact CE1-CZ 3.69Å; R604-Y606 HydrophobicContact CB-CD2 4.32Å; R604-Y606 HydrophobicContact CB-CE2 3.67Å; R604-Y606 WeakPolarHBondContact O-CD2 3.43Å; Y606-G618 PolarHBondContact N-O 2.87Å; Y606-L620 HydrophobicContact CD2-CB 4.18Å; Y606-L620 HydrophobicContact CE2-CB 3.88Å; Y606-L620 HydrophobicContact CE2-CD2 4.34Å; Y606-L644 HydrophobicContact CD1-CD1 3.79Å; Y606-L644 HydrophobicContact CD1-CG 4.48Å; Y606-L644 HydrophobicContact CD2-CD1 3.55Å; Y606-L644 HydrophobicContact CD2-CG 3.98Å; Y606-L644 HydrophobicContact CE1-CD1 3.72Å; Y606-L644 HydrophobicContact CE2-CD1 3.47Å; Y606-L644 VanDerWaalsContact CE2-CD1 3.47Å; Y606-L644 HydrophobicContact CE2-CG 4.36Å; Y606-L644 HydrophobicContact CG-CD1 3.7Å; Y606-L644 HydrophobicContact CG-CD2 4.41Å; Y606-L644 HydrophobicContact CG-CG 4.04Å
607	T	88.3	Confident	92	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.8	-175.2	47.1	0	0	0	0	110.4	V401 N403 S617 G618 T645 S646	V401-T607 HydrophobicContact CG1-CG2 4.46Å; N403-T607 WeakPolarHBondContact ND2-CG2 3.37Å; T607-S617 VanDerWaalsContact O-CA 3.31Å; T607-S617 WeakPolarHBondContact O-CA 3.48Å; T607-G618 PolarHBondContact N-O 3.45Å; T607-G618 VanDerWaalsContact N-O 3.14Å; T607-G618 PolarHBondContact O-N 2.93Å; T607-G618 VanDerWaalsContact OG1-CA 3.28Å; T607-G618 WeakPolarHBondContact OG1-CA 3.46Å; T607-G618 PolarHBondContact OG1-N 3.2Å; T607-G618 PolarHBondContact OG1-O 2.9Å; T607-T645 VanDerWaalsContact CG2-O 3.27Å; T607-T645 WeakPolarHBondContact CG2-O 3.41Å; T607-T645 PolarHBondContact OG1-O 3.18Å; T607-S646 WeakPolarHBondContact CG2-O 3.3Å
608	L	89.8	Confident	92.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	122.5	-171.5	-172.9	75.8	0	0	0	111.3	C567 Q569 V576 I584 I615 I616	C567-L608 HydrophobicContact CB-CB 3.95Å; C567-L608 VanDerWaalsContact SG-CB 3.59Å; Q569-L608 HydrophobicContact CB-CD2 4.47Å; Q569-L608 HydrophobicContact CG-CD2 4.25Å; Q569-L608 HydrophobicContact CG-CG 4.29Å; Q569-L608 WeakPolarHBondContact CG-O 3.16Å; Q569-L608 PolarHBondContact NE2-O 2.84Å; V576-L608 HydrophobicContact CB-CD2 4.06Å; V576-L608 HydrophobicContact CG1-CD1 3.96Å; V576-L608 HydrophobicContact CG1-CD2 3.83Å; V576-L608 HydrophobicContact CG1-CG 4.35Å; V576-L608 VanDerWaalsContact O-CD2 3.26Å; V576-L608 WeakPolarHBondContact O-CD2 3.26Å; I584-L608 HydrophobicContact CG2-CD1 4.16Å; L608-I615 HydrophobicContact CD1-CG2 3.6Å; L608-I616 CarbonylContact C-O 3.51Å; L608-I616 VanDerWaalsContact CA-O 3.3Å; L608-I616 WeakPolarHBondContact CA-O 3.33Å
609	L	90.3	Very high	92	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.3	167	-48.3	-168.5	0	0	0	109.8	F399 V401 I616 L648 F650 L657	F399-L609 HydrophobicContact CB-CD1 4.21Å; F399-L609 HydrophobicContact CB-CD2 3.48Å; F399-L609 VanDerWaalsContact CB-CD2 3.48Å; F399-L609 HydrophobicContact CB-CG 4.35Å; F399-L609 HydrophobicContact CD1-CB 4.36Å; F399-L609 HydrophobicContact CD1-CD2 4.11Å; F399-L609 HydrophobicContact CD2-CB 4.3Å; F399-L609 HydrophobicContact CD2-CD1 4.16Å; F399-L609 HydrophobicContact CD2-CD2 4.45Å; F399-L609 HydrophobicContact CE2-CB 4.5Å; F399-L609 HydrophobicContact CG-CB 4.25Å; F399-L609 HydrophobicContact CG-CD1 4.3Å; F399-L609 HydrophobicContact CG-CD2 3.79Å; F399-L609 HydrophobicContact CG-CG 4.34Å; V401-L609 HydrophobicContact CG2-CD2 3.52Å; L609-I616 HydrophobicContact CB-CB 4.11Å; L609-I616 HydrophobicContact CB-CD1 4.44Å; L609-I616 HydrophobicContact CB-CG1 4.39Å; L609-I616 HydrophobicContact CD1-CD1 4.42Å; L609-I616 PolarHBondContact N-O 2.92Å; L609-I616 PolarHBondContact O-N 3.34Å; L609-L648 HydrophobicContact CD1-CB 3.82Å; L609-L648 HydrophobicContact CD2-CB 4.07Å; L609-L648 HydrophobicContact CG-CB 3.81Å; L609-L648 HydrophobicContact CG-CD1 4.32Å; L609-F650 HydrophobicContact CD1-CB 3.93Å; L609-L657 HydrophobicContact CD1-CD1 4.03Å
610	F	89.1	Confident	92.1	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	114.9	179.3	176.2	-125	0	0	0	111.6	F399 Q569 T571 Q574 V576 L586 G612 H614 I615 A629	F399-F610 VanDerWaalsContact CE1-O 3.28Å; F399-F610 WeakPolarHBondContact CE1-O 3.45Å; F399-F610 WeakPolarHBondContact CZ-O 3.23Å; Q569-F610 HydrophobicContact CB-CB 3.73Å; Q569-F610 HydrophobicContact CB-CD1 4.43Å; Q569-F610 HydrophobicContact CG-CB 4.15Å; T571-F610 HydrophobicContact CG2-CD1 3.61Å; T571-F610 HydrophobicContact CG2-CE1 3.52Å; T571-F610 HydrophobicContact CG2-CZ 4.43Å; T571-F610 WeakPolarHBondContact OG1-CE1 3.45Å; Q574-F610 HydrophobicContact CB-CE1 3.93Å; Q574-F610 HydrophobicContact CB-CZ 4.07Å; V576-F610 HydrophobicContact CB-CB 4.46Å; V576-F610 HydrophobicContact CB-CD1 4.35Å; V576-F610 HydrophobicContact CB-CG 4.31Å; V576-F610 HydrophobicContact CG2-CB 4.22Å; V576-F610 HydrophobicContact CG2-CD1 3.52Å; V576-F610 HydrophobicContact CG2-CD2 3.8Å; V576-F610 HydrophobicContact CG2-CE1 3.73Å; V576-F610 HydrophobicContact CG2-CE2 4.02Å; V576-F610 HydrophobicContact CG2-CG 3.57Å; V576-F610 HydrophobicContact CG2-CZ 3.98Å; L586-F610 HydrophobicContact CD1-CZ 4.3Å; F610-G612 VanDerWaalsContact CE2-C 3.44Å; F610-G612 VanDerWaalsContact CE2-CA 3.5Å; F610-H614 WeakPolarHBondContact CA-O 3.33Å; F610-H614 WeakPolarHBondContact CD2-O 3.34Å; F610-I615 HydrophobicContact CD2-CG1 3.58Å; F610-I615 HydrophobicContact CE2-CG1 4.04Å; F610-I615 HydrophobicContact CG-CG1 4.43Å; F610-A629 HydrophobicContact CE2-CB 3.76Å
611	D	81.9	Confident	92.2	Very high	39 Å²	39	24.6 Å²	24.6	21%	0.209	13%	0.127	C	C	.	.			trans	-95.7	4.7	-176.8	68.4	6.4	0	0	0	114	Y613 H614	D611-Y613 WeakPolarHBondContact OD1-CA 3.14Å; D611-Y613 PolarHBondContact OD1-N 3.4Å; D611-H614 PolarHBondContact N-O 2.89Å; D611-H614 PolarHBondContact OD1-N 3.07Å; D611-H614 IonicContact OD1-ND1 3.68Å; D611-H614 IonicContact OD2-CE1 3.77Å; D611-H614 IonicContact OD2-CG 3.16Å; D611-H614 IonicContact OD2-ND1 2.71Å; D611-H614 PolarHBondContact OD2-ND1 3.3Å
612	G	86.1	Confident	92.1	Very high	20 Å²	20	26.3 Å²	26.3	21%	0.206	14%	0.139	C	C	.	.	S	Bend	trans	99.3	-16.5	-170.9	0	0	0	0	0	114.2	F610 H630	F610-G612 VanDerWaalsContact CE2-C 3.44Å; F610-G612 VanDerWaalsContact CE2-CA 3.5Å; G612-H630 PolarHBondContact O-CE1 3.42Å
613	Y	89.9	Confident	92.2	Very high	112 Å²	112	21 Å²	21	44%	0.439	11%	0.106	S	C	.	.	S	Bend	trans	-137.4	-35.5	-174.3	179.8	-104.5	0	0	0	113.8	D611 N628 A629 H630 K635	D611-Y613 WeakPolarHBondContact OD1-CA 3.14Å; D611-Y613 PolarHBondContact OD1-N 3.4Å; Y613-N628 PolarHBondContact OH-ND2 2.86Å; Y613-A629 WeakPolarHBondContact O-CB 3.48Å; Y613-A629 PolarHBondContact O-N 3.04Å; Y613-H630 AromaticContact CD2-ND1 3.57Å; Y613-K635 VanDerWaalsContact CE1-NZ 3.27Å
614	H	91.6	Very high	92.2	Very high	38 Å²	38	18.4 Å²	18.4	18%	0.176	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	172.2	-57.3	111.1	0	0	0	110.9	F610 D611 I626 W627 K635	F610-H614 WeakPolarHBondContact CA-O 3.33Å; F610-H614 WeakPolarHBondContact CD2-O 3.34Å; D611-H614 PolarHBondContact N-O 2.89Å; D611-H614 PolarHBondContact OD1-N 3.07Å; D611-H614 IonicContact OD1-ND1 3.68Å; D611-H614 IonicContact OD2-CE1 3.77Å; D611-H614 IonicContact OD2-CG 3.16Å; D611-H614 IonicContact OD2-ND1 2.71Å; D611-H614 PolarHBondContact OD2-ND1 3.3Å; H614-I626 HydrophobicContact CB-CG2 4.42Å; H614-W627 VanDerWaalsContact CA-O 3.32Å; H614-W627 WeakPolarHBondContact CA-O 3.47Å; H614-K635 PolarHBondContact CD2-NZ 2.95Å; H614-K635 VanDerWaalsContact CD2-NZ 3.3Å; H614-K635 PolarHBondContact NE2-NZ 2.73Å
615	I	94.6	Very high	92.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.7	164.4	-61.8	164.2	0	0	0	107.4	V576 I584 F598 L608 F610 I626 W627 A629	V576-I615 HydrophobicContact CG1-CD1 3.77Å; V576-I615 HydrophobicContact CG1-CG1 4.01Å; V576-I615 HydrophobicContact CG1-CG2 3.94Å; V576-I615 HydrophobicContact CG2-CD1 3.93Å; V576-I615 HydrophobicContact CG2-CG1 4.03Å; I584-I615 HydrophobicContact CG2-CG2 4.14Å; F598-I615 HydrophobicContact CD2-CD1 4.44Å; F598-I615 HydrophobicContact CE1-CD1 4.38Å; F598-I615 HydrophobicContact CE2-CD1 3.62Å; F598-I615 HydrophobicContact CZ-CD1 3.58Å; L608-I615 HydrophobicContact CD1-CG2 3.6Å; F610-I615 HydrophobicContact CD2-CG1 3.58Å; F610-I615 HydrophobicContact CE2-CG1 4.04Å; F610-I615 HydrophobicContact CG-CG1 4.43Å; I615-I626 CarbonylContact O-C 3.42Å; I615-I626 WeakPolarHBondContact O-CA 3.32Å; I615-W627 HydrophobicContact CB-CB 4.27Å; I615-W627 PolarHBondContact N-O 3.27Å; I615-W627 PolarHBondContact O-N 3.35Å; I615-A629 HydrophobicContact CD1-CB 3.95Å; I615-A629 HydrophobicContact CG1-CB 4.07Å
616	I	95	Very high	92.4	Very high	5 Å²	5	17.6 Å²	17.6	3%	0.026	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.4	175.2	-43.9	-178.1	0	0	0	108	L608 L609 I624 R625 I626 L648 L657 M671	L608-I616 CarbonylContact C-O 3.51Å; L608-I616 VanDerWaalsContact CA-O 3.3Å; L608-I616 WeakPolarHBondContact CA-O 3.33Å; L609-I616 HydrophobicContact CB-CB 4.11Å; L609-I616 HydrophobicContact CB-CD1 4.44Å; L609-I616 HydrophobicContact CB-CG1 4.39Å; L609-I616 HydrophobicContact CD1-CD1 4.42Å; L609-I616 PolarHBondContact N-O 2.92Å; L609-I616 PolarHBondContact O-N 3.34Å; I616-I624 HydrophobicContact CG2-CG2 3.94Å; I616-R625 CarbonylContact C-O 3.59Å; I616-R625 VanDerWaalsContact CA-O 3.31Å; I616-R625 WeakPolarHBondContact CA-O 3.45Å; I616-I626 HydrophobicContact CG1-CG1 4.24Å; I616-I626 HydrophobicContact CG2-CG1 4.16Å; I616-L648 HydrophobicContact CG2-CD1 3.98Å; I616-L657 HydrophobicContact CD1-CD1 4.04Å; I616-L657 HydrophobicContact CG2-CD1 4.21Å; I616-L657 HydrophobicContact CG2-CD2 3.63Å; I616-M671 HydrophobicContact CD1-CE 3.55Å; I616-M671 HydrophobicContact CD1-SD 3.82Å; I616-M671 HydrophobicContact CG1-CE 4.44Å
617	S	95.4	Very high	92.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	136.3	-174.6	55.6	0	0	0	0	112.5	I584 H601 T607 I624 R625	I584-S617 WeakPolarHBondContact CD1-OG 3.43Å; H601-S617 PolarHBondContact NE2-OG 3.22Å; T607-S617 VanDerWaalsContact O-CA 3.31Å; T607-S617 WeakPolarHBondContact O-CA 3.48Å; S617-I624 CarbonylContact O-C 3.55Å; S617-I624 WeakPolarHBondContact O-CA 3.48Å; S617-I624 WeakPolarHBondContact O-CG2 3.46Å; S617-R625 PolarHBondContact N-O 3.23Å; S617-R625 PolarHBondContact O-N 3.35Å
618	G	93.2	Very high	93.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.7	171.4	0	0	0	0	0	111.2	Y606 T607	Y606-G618 PolarHBondContact N-O 2.87Å; T607-G618 PolarHBondContact N-O 3.45Å; T607-G618 VanDerWaalsContact N-O 3.14Å; T607-G618 PolarHBondContact O-N 2.93Å; T607-G618 VanDerWaalsContact OG1-CA 3.28Å; T607-G618 WeakPolarHBondContact OG1-CA 3.46Å; T607-G618 PolarHBondContact OG1-N 3.2Å; T607-G618 PolarHBondContact OG1-O 2.9Å
619	S	94	Very high	93.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	166.9	-174.2	168.2	0	0	0	0	112.2	H601 N603 R604 D621 T623	H601-S619 WeakPolarHBondContact ND1-CB 3.26Å; N603-S619 PolarHBondContact O-OG 2.76Å; R604-S619 WeakPolarHBondContact O-CA 3.39Å; R604-S619 PolarHBondContact O-OG 3.49Å; R604-S619 VanDerWaalsContact O-OG 3.06Å; S619-D621 WeakPolarHBondContact CB-OD1 3.42Å; S619-D621 PolarHBondContact O-N 2.96Å; S619-D621 VanDerWaalsContact OG-CG 3.31Å; S619-D621 PolarHBondContact OG-N 3.39Å; S619-D621 PolarHBondContact OG-OD1 3.5Å; S619-T623 PolarHBondContact N-O 3.4Å
620	L	93.8	Very high	93.1	Very high	40 Å²	40	23.1 Å²	23.1	21%	0.209	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.4	164.9	-176.5	59.1	0	0	0	112.6	L449 N603 R604 Y606 T622 L644	L449-L620 HydrophobicContact CD2-CD2 3.72Å; N603-L620 HydrophobicContact CB-CB 4.14Å; R604-L620 PolarHBondContact O-N 3.42Å; Y606-L620 HydrophobicContact CD2-CB 4.18Å; Y606-L620 HydrophobicContact CE2-CB 3.88Å; Y606-L620 HydrophobicContact CE2-CD2 4.34Å; L620-T622 PolarHBondContact O-N 3.34Å; L620-T622 VanDerWaalsContact O-N 3.11Å; L620-L644 HydrophobicContact CD1-CB 3.95Å; L620-L644 HydrophobicContact CD1-CD1 4.31Å
621	D	95.2	Very high	93.3	Very high	20 Å²	20	27 Å²	27	11%	0.107	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	7.9	171.4	75.3	8.8	0	0	0	114	H601 T602 N603 S619 T623	H601-D621 WeakPolarHBondContact CA-OD2 3.45Å; H601-D621 WeakPolarHBondContact CB-OD2 3.36Å; H601-D621 IonicContact CE1-OD1 3.84Å; H601-D621 IonicContact CE1-OD2 2.85Å; H601-D621 IonicContact CG-OD2 2.68Å; H601-D621 IonicContact ND1-OD1 3.53Å; H601-D621 PolarHBondContact ND1-OD1 2.95Å; H601-D621 IonicContact ND1-OD2 3.25Å; H601-D621 PolarHBondContact ND1-OD2 2.9Å; T602-D621 PolarHBondContact N-OD2 3.19Å; T602-D621 WeakPolarHBondContact OG1-CB 3.35Å; N603-D621 HydrophobicContact CB-CB 3.87Å; S619-D621 WeakPolarHBondContact CB-OD1 3.42Å; S619-D621 PolarHBondContact O-N 2.96Å; S619-D621 VanDerWaalsContact OG-CG 3.31Å; S619-D621 PolarHBondContact OG-N 3.39Å; S619-D621 PolarHBondContact OG-OD1 3.5Å; D621-T623 PolarHBondContact O-N 3.4Å; D621-T623 WeakPolarHBondContact OD1-CA 3.26Å; D621-T623 VanDerWaalsContact OD1-CB 3.3Å; D621-T623 WeakPolarHBondContact OD1-CB 3.3Å; D621-T623 PolarHBondContact OD1-N 2.69Å; D621-T623 PolarHBondContact OD1-OG1 2.86Å; D621-T623 PolarHBondContact OD2-OG1 2.83Å
622	T	96.2	Very high	93.8	Very high	47 Å²	47	26.2 Å²	26.2	29%	0.288	14%	0.14	S	C	.	.	S	Bend	trans	68.1	-0.6	-178.5	77.6	0	0	0	0	115.6	L620 H641 R642	L620-T622 PolarHBondContact O-N 3.34Å; L620-T622 VanDerWaalsContact O-N 3.11Å; T622-H641 WeakPolarHBondContact CB-O 3.41Å; T622-R642 VanDerWaalsContact CG2-C 3.46Å
623	T	97.5	Very high	94.2	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.049	15%	0.15	C	C	.	.			trans	-96.2	153.8	178.4	76.6	0	0	0	0	112.4	H601 S619 D621 T637 Y639	H601-T623 PolarHBondContact CE1-OG1 3.02Å; H601-T623 VanDerWaalsContact CE1-OG1 3.27Å; H601-T623 PolarHBondContact ND1-OG1 3.39Å; S619-T623 PolarHBondContact N-O 3.4Å; D621-T623 PolarHBondContact O-N 3.4Å; D621-T623 WeakPolarHBondContact OD1-CA 3.26Å; D621-T623 VanDerWaalsContact OD1-CB 3.3Å; D621-T623 WeakPolarHBondContact OD1-CB 3.3Å; D621-T623 PolarHBondContact OD1-N 2.69Å; D621-T623 PolarHBondContact OD1-OG1 2.86Å; D621-T623 PolarHBondContact OD2-OG1 2.83Å; T623-T637 HydrophobicContact CG2-CG2 4.19Å; T623-Y639 HydrophobicContact CG2-CD1 3.9Å; T623-Y639 HydrophobicContact CG2-CE1 3.73Å
624	I	97.4	Very high	94.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.3	164.3	-58.6	160.9	0	0	0	107.5	I616 S617 T637 F638 T645 L648 L657 S659	I616-I624 HydrophobicContact CG2-CG2 3.94Å; S617-I624 CarbonylContact O-C 3.55Å; S617-I624 WeakPolarHBondContact O-CA 3.48Å; S617-I624 WeakPolarHBondContact O-CG2 3.46Å; I624-T637 CarbonylContact O-C 3.56Å; I624-T637 WeakPolarHBondContact O-CA 3.32Å; I624-F638 HydrophobicContact CB-CB 4.24Å; I624-F638 HydrophobicContact CB-CD2 3.97Å; I624-F638 HydrophobicContact CG2-CD2 3.9Å; I624-F638 HydrophobicContact CG2-CE2 4.47Å; I624-F638 PolarHBondContact N-O 3.47Å; I624-F638 PolarHBondContact O-N 2.91Å; I624-T645 HydrophobicContact CD1-CG2 3.96Å; I624-T645 HydrophobicContact CG1-CG2 4.11Å; I624-L648 HydrophobicContact CD1-CD2 3.96Å; I624-L648 HydrophobicContact CG1-CD2 4.41Å; I624-L648 HydrophobicContact CG2-CD1 4.46Å; I624-L648 HydrophobicContact CG2-CD2 4.21Å; I624-L657 HydrophobicContact CG2-CD2 4.01Å; I624-S659 WeakPolarHBondContact CD1-OG 3.46Å
625	R	97.1	Very high	94.6	Very high	28 Å²	28	28.4 Å²	28.4	11%	0.106	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.3	-176.3	-65.7	-179.3	-175	-89.4	8.5	111.1	A600 I616 S617 L634 Q636 T637	A600-R625 PolarHBondContact O-NE 3.43Å; A600-R625 PolarHBondContact O-NH2 3.16Å; I616-R625 CarbonylContact C-O 3.59Å; I616-R625 VanDerWaalsContact CA-O 3.31Å; I616-R625 WeakPolarHBondContact CA-O 3.45Å; S617-R625 PolarHBondContact N-O 3.23Å; S617-R625 PolarHBondContact O-N 3.35Å; R625-L634 HydrophobicContact CB-CD1 3.83Å; R625-L634 HydrophobicContact CG-CD1 4.05Å; R625-Q636 WeakPolarHBondContact CA-O 3.22Å; R625-T637 HydrophobicContact CG-CG2 3.99Å; R625-T637 PolarHBondContact NH1-OG1 3.22Å
626	I	95.7	Very high	94.6	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.4	168.6	-58.8	174.6	0	0	0	108.4	H614 I615 I616 K635 Q636 F638 M671	H614-I626 HydrophobicContact CB-CG2 4.42Å; I615-I626 CarbonylContact O-C 3.42Å; I615-I626 WeakPolarHBondContact O-CA 3.32Å; I616-I626 HydrophobicContact CG1-CG1 4.24Å; I616-I626 HydrophobicContact CG2-CG1 4.16Å; I626-K635 HydrophobicContact CB-CB 4.48Å; I626-K635 HydrophobicContact CG2-CB 4.23Å; I626-K635 HydrophobicContact CG2-CD 4.43Å; I626-K635 PolarHBondContact O-N 2.82Å; I626-Q636 HydrophobicContact CB-CB 4.18Å; I626-Q636 HydrophobicContact CD1-CB 4.27Å; I626-Q636 HydrophobicContact CG1-CB 4.42Å; I626-Q636 PolarHBondContact N-O 3.08Å; I626-Q636 PolarHBondContact O-N 3.31Å; I626-F638 HydrophobicContact CD1-CE2 3.47Å; I626-F638 VanDerWaalsContact CD1-CE2 3.47Å; I626-F638 HydrophobicContact CD1-CZ 3.57Å; I626-F638 HydrophobicContact CG1-CE2 3.72Å; I626-F638 HydrophobicContact CG1-CZ 4.32Å; I626-M671 HydrophobicContact CD1-CB 4.23Å; I626-M671 HydrophobicContact CD1-CE 4.01Å; I626-M671 HydrophobicContact CD1-CG 4.07Å
627	W	95.9	Very high	94.7	Very high	16 Å²	16	31.7 Å²	31.7	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.4	178.4	-52.7	87.3	0	0	0	111.1	F598 A600 H614 I615 A633 L634	F598-W627 HydrophobicContact CB-CD2 4.28Å; F598-W627 HydrophobicContact CB-CE3 4.4Å; F598-W627 HydrophobicContact CB-CH2 4.06Å; F598-W627 HydrophobicContact CB-CZ2 3.99Å; F598-W627 HydrophobicContact CB-CZ3 4.28Å; F598-W627 HydrophobicContact CD1-CB 4.05Å; F598-W627 AromaticContact CD1-CD2 3.62Å; F598-W627 HydrophobicContact CD1-CD2 3.62Å; F598-W627 AromaticContact CD1-CE3 3.48Å; F598-W627 HydrophobicContact CD1-CE3 3.48Å; F598-W627 VanDerWaalsContact CD1-CE3 3.48Å; F598-W627 AromaticContact CD1-CG 3.91Å; F598-W627 HydrophobicContact CD1-CG 3.91Å; F598-W627 AromaticContact CD1-CZ3 3.97Å; F598-W627 HydrophobicContact CD1-CZ3 3.97Å; F598-W627 HydrophobicContact CE1-CB 3.88Å; F598-W627 HydrophobicContact CE1-CD2 4.34Å; F598-W627 HydrophobicContact CE1-CE3 4.22Å; F598-W627 HydrophobicContact CE1-CG 4.26Å; F598-W627 HydrophobicContact CG-CD2 4.3Å; F598-W627 HydrophobicContact CG-CE3 4.39Å; A600-W627 HydrophobicContact CB-CH2 3.51Å; A600-W627 HydrophobicContact CB-CZ2 3.85Å; H614-W627 VanDerWaalsContact CA-O 3.32Å; H614-W627 WeakPolarHBondContact CA-O 3.47Å; I615-W627 HydrophobicContact CB-CB 4.27Å; I615-W627 PolarHBondContact N-O 3.27Å; I615-W627 PolarHBondContact O-N 3.35Å; W627-A633 CarbonylContact C-O 3.27Å; W627-A633 WeakPolarHBondContact CA-O 3.33Å; W627-L634 HydrophobicContact CD2-CB 4.43Å; W627-L634 HydrophobicContact CD2-CD1 3.89Å; W627-L634 HydrophobicContact CE3-CB 3.71Å; W627-L634 HydrophobicContact CE3-CD1 4.02Å; W627-L634 HydrophobicContact CE3-CG 4.48Å; W627-L634 HydrophobicContact CH2-CB 4.36Å; W627-L634 HydrophobicContact CH2-CD1 4.22Å; W627-L634 HydrophobicContact CZ2-CD1 4.04Å; W627-L634 HydrophobicContact CZ3-CB 3.7Å; W627-L634 HydrophobicContact CZ3-CD1 4.2Å; W627-L634 HydrophobicContact CZ3-CG 4.47Å
628	N	94.8	Very high	94.7	Very high	14 Å²	14	31.9 Å²	31.9	8%	0.075	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.4	159.7	-173.5	-42.7	0	0	0	108.6	Y613 H630 T631 G632 A633 K635	Y613-N628 PolarHBondContact OH-ND2 2.86Å; N628-H630 VanDerWaalsContact C-N 3.27Å; N628-H630 PolarHBondContact O-N 3.49Å; N628-H630 WeakPolarHBondContact OD1-CA 3.47Å; N628-H630 WeakPolarHBondContact OD1-CB 3.4Å; N628-H630 PolarHBondContact OD1-N 2.98Å; N628-T631 VanDerWaalsContact CB-OG1 3.3Å; N628-T631 WeakPolarHBondContact CB-OG1 3.41Å; N628-T631 VanDerWaalsContact CG-OG1 3.31Å; N628-T631 PolarHBondContact OD1-N 3.22Å; N628-T631 VanDerWaalsContact OD1-N 3.07Å; N628-G632 PolarHBondContact O-N 2.97Å; N628-A633 PolarHBondContact N-O 2.67Å; N628-K635 HydrophobicContact CB-CG 4.45Å
629	A	91.5	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-40.7	180	0	0	0	0	0	112.1	L586 R596 F610 Y613 I615	L586-A629 HydrophobicContact CD2-CB 4.17Å; L586-A629 VanDerWaalsContact CD2-O 3.22Å; L586-A629 WeakPolarHBondContact CD2-O 3.46Å; R596-A629 WeakPolarHBondContact CD-O 3.38Å; F610-A629 HydrophobicContact CE2-CB 3.76Å; Y613-A629 WeakPolarHBondContact O-CB 3.48Å; Y613-A629 PolarHBondContact O-N 3.04Å; I615-A629 HydrophobicContact CD1-CB 3.95Å; I615-A629 HydrophobicContact CG1-CB 4.07Å
630	H	90.3	Very high	94.9	Very high	89 Å²	89	40.7 Å²	40.7	41%	0.412	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.9	-173.9	-66.8	94.2	0	0	0	113.8	Q574 R596 G612 Y613 N628	Q574-H630 PolarHBondContact NE2-NE2 3.1Å; R596-H630 VanDerWaalsContact CZ-O 3.22Å; R596-H630 PolarHBondContact NE-O 2.9Å; R596-H630 PolarHBondContact NH2-O 3.47Å; G612-H630 PolarHBondContact O-CE1 3.42Å; Y613-H630 AromaticContact CD2-ND1 3.57Å; N628-H630 VanDerWaalsContact C-N 3.27Å; N628-H630 PolarHBondContact O-N 3.49Å; N628-H630 WeakPolarHBondContact OD1-CA 3.47Å; N628-H630 WeakPolarHBondContact OD1-CB 3.4Å; N628-H630 PolarHBondContact OD1-N 2.98Å
631	T	92.5	Very high	95	Very high	83 Å²	83	39.1 Å²	39.1	51%	0.509	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-15.3	-178.9	68.9	0	0	0	0	114.2	N628 A633	N628-T631 VanDerWaalsContact CB-OG1 3.3Å; N628-T631 WeakPolarHBondContact CB-OG1 3.41Å; N628-T631 VanDerWaalsContact CG-OG1 3.31Å; N628-T631 PolarHBondContact OD1-N 3.22Å; N628-T631 VanDerWaalsContact OD1-N 3.07Å; T631-A633 PolarHBondContact O-N 3.47Å; T631-A633 VanDerWaalsContact OG1-CB 3.31Å; T631-A633 WeakPolarHBondContact OG1-CB 3.37Å; T631-A633 PolarHBondContact OG1-N 3.02Å
632	G	91.4	Very high	95	Very high	24 Å²	24	48.3 Å²	48.3	25%	0.247	24%	0.244	C	C	.	.			trans	80.3	-8.4	-171	0	0	0	0	0	114	N628 L634	N628-G632 PolarHBondContact O-N 2.97Å; G632-L634 PolarHBondContact O-N 3Å
633	A	95	Very high	94.9	Very high	49 Å²	49	47 Å²	47	41%	0.405	24%	0.237	S	C	.	.			trans	-72.8	129.2	-172	0	0	0	0	0	112.4	W627 N628 T631 K635	W627-A633 CarbonylContact C-O 3.27Å; W627-A633 WeakPolarHBondContact CA-O 3.33Å; N628-A633 PolarHBondContact N-O 2.67Å; T631-A633 PolarHBondContact O-N 3.47Å; T631-A633 VanDerWaalsContact OG1-CB 3.31Å; T631-A633 WeakPolarHBondContact OG1-CB 3.37Å; T631-A633 PolarHBondContact OG1-N 3.02Å; A633-K635 PolarHBondContact O-N 3.39Å
634	L	95.9	Very high	94.5	Very high	74 Å²	74	47.2 Å²	47.2	39%	0.387	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	112.8	167	-178.3	66	0	0	0	108.9	R625 W627 G632 Q636	R625-L634 HydrophobicContact CB-CD1 3.83Å; R625-L634 HydrophobicContact CG-CD1 4.05Å; W627-L634 HydrophobicContact CD2-CB 4.43Å; W627-L634 HydrophobicContact CD2-CD1 3.89Å; W627-L634 HydrophobicContact CE3-CB 3.71Å; W627-L634 HydrophobicContact CE3-CD1 4.02Å; W627-L634 HydrophobicContact CE3-CG 4.48Å; W627-L634 HydrophobicContact CH2-CB 4.36Å; W627-L634 HydrophobicContact CH2-CD1 4.22Å; W627-L634 HydrophobicContact CZ2-CD1 4.04Å; W627-L634 HydrophobicContact CZ3-CB 3.7Å; W627-L634 HydrophobicContact CZ3-CD1 4.2Å; W627-L634 HydrophobicContact CZ3-CG 4.47Å; G632-L634 PolarHBondContact O-N 3Å; L634-Q636 WeakPolarHBondContact CD1-O 3.37Å
635	K	94.2	Very high	94.2	Very high	92 Å²	92	47.1 Å²	47.1	40%	0.4	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-43.3	177.4	-65.7	-166.6	-179	-171.5	0	112	Y613 H614 I626 N628 A633	Y613-K635 VanDerWaalsContact CE1-NZ 3.27Å; H614-K635 PolarHBondContact CD2-NZ 2.95Å; H614-K635 VanDerWaalsContact CD2-NZ 3.3Å; H614-K635 PolarHBondContact NE2-NZ 2.73Å; I626-K635 HydrophobicContact CB-CB 4.48Å; I626-K635 HydrophobicContact CG2-CB 4.23Å; I626-K635 HydrophobicContact CG2-CD 4.43Å; I626-K635 PolarHBondContact O-N 2.82Å; N628-K635 HydrophobicContact CB-CG 4.45Å; A633-K635 PolarHBondContact O-N 3.39Å
636	Q	94.5	Very high	93.6	Very high	59 Å²	59	46.3 Å²	46.3	28%	0.276	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	145.7	-173.9	-171.2	59.4	53	0	0	110.4	R625 I626 L634 F638	R625-Q636 WeakPolarHBondContact CA-O 3.22Å; I626-Q636 HydrophobicContact CB-CB 4.18Å; I626-Q636 HydrophobicContact CD1-CB 4.27Å; I626-Q636 HydrophobicContact CG1-CB 4.42Å; I626-Q636 PolarHBondContact N-O 3.08Å; I626-Q636 PolarHBondContact O-N 3.31Å; L634-Q636 WeakPolarHBondContact CD1-O 3.37Å; Q636-F638 HydrophobicContact CG-CD1 4.04Å; Q636-F638 HydrophobicContact CG-CD2 4.46Å; Q636-F638 HydrophobicContact CG-CE1 3.71Å; Q636-F638 HydrophobicContact CG-CE2 4.16Å; Q636-F638 HydrophobicContact CG-CG 4.42Å; Q636-F638 HydrophobicContact CG-CZ 3.77Å
637	T	96.6	Very high	93.2	Very high	16 Å²	16	46.3 Å²	46.3	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.8	159.8	-55.1	0	0	0	0	108.1	T623 I624 R625 Y639	T623-T637 HydrophobicContact CG2-CG2 4.19Å; I624-T637 CarbonylContact O-C 3.56Å; I624-T637 WeakPolarHBondContact O-CA 3.32Å; R625-T637 HydrophobicContact CG-CG2 3.99Å; R625-T637 PolarHBondContact NH1-OG1 3.22Å; T637-Y639 HydrophobicContact CG2-CD1 4.44Å; T637-Y639 HydrophobicContact CG2-CD2 4.21Å; T637-Y639 HydrophobicContact CG2-CE1 3.89Å; T637-Y639 HydrophobicContact CG2-CE2 3.64Å; T637-Y639 VanDerWaalsContact CG2-CZ 3.45Å
638	F	96.7	Very high	93	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.4	174.7	-55.2	-76.3	0	0	0	108.9	I624 I626 Q636 L657 W669 G674	I624-F638 HydrophobicContact CB-CB 4.24Å; I624-F638 HydrophobicContact CB-CD2 3.97Å; I624-F638 HydrophobicContact CG2-CD2 3.9Å; I624-F638 HydrophobicContact CG2-CE2 4.47Å; I624-F638 PolarHBondContact N-O 3.47Å; I624-F638 PolarHBondContact O-N 2.91Å; I626-F638 HydrophobicContact CD1-CE2 3.47Å; I626-F638 VanDerWaalsContact CD1-CE2 3.47Å; I626-F638 HydrophobicContact CD1-CZ 3.57Å; I626-F638 HydrophobicContact CG1-CE2 3.72Å; I626-F638 HydrophobicContact CG1-CZ 4.32Å; Q636-F638 HydrophobicContact CG-CD1 4.04Å; Q636-F638 HydrophobicContact CG-CD2 4.46Å; Q636-F638 HydrophobicContact CG-CE1 3.71Å; Q636-F638 HydrophobicContact CG-CE2 4.16Å; Q636-F638 HydrophobicContact CG-CG 4.42Å; Q636-F638 HydrophobicContact CG-CZ 3.77Å; F638-L657 HydrophobicContact CD2-CD2 4.41Å; F638-L657 HydrophobicContact CE2-CD2 3.86Å; F638-W669 HydrophobicContact CB-CD2 4.01Å; F638-W669 HydrophobicContact CB-CE3 3.85Å; F638-W669 HydrophobicContact CB-CH2 3.83Å; F638-W669 HydrophobicContact CB-CZ2 3.97Å; F638-W669 HydrophobicContact CB-CZ3 3.76Å; F638-W669 HydrophobicContact CD1-CB 4Å; F638-W669 AromaticContact CD1-CD2 3.65Å; F638-W669 HydrophobicContact CD1-CD2 3.65Å; F638-W669 AromaticContact CD1-CE3 3.35Å; F638-W669 HydrophobicContact CD1-CE3 3.35Å; F638-W669 AromaticContact CD1-CG 3.96Å; F638-W669 HydrophobicContact CD1-CG 3.96Å; F638-W669 HydrophobicContact CD1-CZ3 4.02Å; F638-W669 HydrophobicContact CE1-CB 3.61Å; F638-W669 HydrophobicContact CE1-CD2 4.22Å; F638-W669 HydrophobicContact CE1-CE3 4.12Å; F638-W669 HydrophobicContact CE1-CG 4.06Å; F638-W669 AromaticContact CG-CD2 3.89Å; F638-W669 HydrophobicContact CG-CD2 3.89Å; F638-W669 AromaticContact CG-CE3 3.87Å; F638-W669 HydrophobicContact CG-CE3 3.87Å; F638-W669 HydrophobicContact CG-CG 4.26Å; F638-W669 HydrophobicContact CG-CZ3 4.29Å; F638-W669 HydrophobicContact CZ-CB 3.96Å; F638-W669 HydrophobicContact CZ-CG 4.46Å; F638-G674 WeakPolarHBondContact CD1-O 3.32Å
639	Y	96.5	Very high	92.7	Very high	153 Å²	153	45 Å²	45	60%	0.6	23%	0.231	S	C	*	.			trans	-121	151.3	-179.7	-61.7	-84.1	0	0	0	110.1	T623 T637 W669	T623-Y639 HydrophobicContact CG2-CD1 3.9Å; T623-Y639 HydrophobicContact CG2-CE1 3.73Å; T637-Y639 HydrophobicContact CG2-CD1 4.44Å; T637-Y639 HydrophobicContact CG2-CD2 4.21Å; T637-Y639 HydrophobicContact CG2-CE1 3.89Å; T637-Y639 HydrophobicContact CG2-CE2 3.64Å; T637-Y639 VanDerWaalsContact CG2-CZ 3.45Å; Y639-W669 WeakPolarHBondContact O-CH2 3.21Å
640	G	94.8	Very high	92.3	Very high	32 Å²	32	46.4 Å²	46.4	33%	0.33	24%	0.237	S	C	.	.			trans	126.2	-13.1	171.1	0	0	0	0	0	114.4	R667	G640-R667 VanDerWaalsContact O-CZ 3.29Å; G640-R667 PolarHBondContact O-NE 2.92Å; G640-R667 PolarHBondContact O-NH2 3.17Å
641	H	95.4	Very high	91.9	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.032	22%	0.221	C	C	.	.			trans	-66.2	157.9	156.6	-83	-50.1	0	0	0	110.4	T622 S659 N661 D663 T665	T622-H641 WeakPolarHBondContact CB-O 3.41Å; H641-S659 PolarHBondContact NE2-OG 2.77Å; H641-N661 WeakPolarHBondContact CB-ND2 3.2Å; H641-N661 WeakPolarHBondContact CE1-CB 3.36Å; H641-N661 VanDerWaalsContact CG-ND2 3.28Å; H641-N661 WeakPolarHBondContact ND1-CB 3.4Å; H641-D663 WeakPolarHBondContact CA-OD2 3.49Å; H641-D663 IonicContact CE1-OD1 2.88Å; H641-D663 IonicContact CG-OD2 3.27Å; H641-D663 IonicContact ND1-OD1 3.91Å; H641-D663 PolarHBondContact ND1-OD1 2.71Å; H641-D663 IonicContact ND1-OD2 3.52Å; H641-D663 PolarHBondContact ND1-OD2 3.33Å; H641-T665 PolarHBondContact CE1-OG1 3.29Å; H641-T665 VanDerWaalsContact CE1-OG1 3.28Å; H641-T665 PolarHBondContact ND1-OG1 2.65Å
642	R	95.1	Very high	90.9	Very high	214 Å²	214	41.2 Å²	41.2	81%	0.808	22%	0.215	S	C	*	.			trans	-123.9	-1	-174.8	-58.6	-178.4	178.1	-174.6	-2.5	113.9	T622 D663	T622-R642 VanDerWaalsContact CG2-C 3.46Å; R642-D663 HydrophobicContact CB-CB 3.92Å; R642-D663 PolarHBondContact N-OD2 2.83Å
643	S	93.8	Very high	89.9	Confident	18 Å²	18	45.8 Å²	45.8	13%	0.126	23%	0.23	C	C	.	.	S	Bend	trans	-150.2	-164.7	178.7	-164.5	0	0	0	0	110.5	M453 N661	M453-S643 PolarHBondContact SD-OG 3.23Å; S643-N661 VanDerWaalsContact C-OD1 3.29Å; S643-N661 WeakPolarHBondContact CB-OD1 3.24Å; S643-N661 PolarHBondContact N-OD1 3.27Å; S643-N661 PolarHBondContact O-ND2 2.58Å; S643-N661 PolarHBondContact O-OD1 3.18Å
644	L	89.1	Confident	88.8	Confident	13 Å²	13	46.5 Å²	46.5	7%	0.068	23%	0.225	C	C	.	.			trans	-60.7	128.6	179.8	-176.8	151.7	0	0	0	112.5	Y606 L620 S646 N661 A662	Y606-L644 HydrophobicContact CD1-CD1 3.79Å; Y606-L644 HydrophobicContact CD1-CG 4.48Å; Y606-L644 HydrophobicContact CD2-CD1 3.55Å; Y606-L644 HydrophobicContact CD2-CG 3.98Å; Y606-L644 HydrophobicContact CE1-CD1 3.72Å; Y606-L644 HydrophobicContact CE2-CD1 3.47Å; Y606-L644 VanDerWaalsContact CE2-CD1 3.47Å; Y606-L644 HydrophobicContact CE2-CG 4.36Å; Y606-L644 HydrophobicContact CG-CD1 3.7Å; Y606-L644 HydrophobicContact CG-CD2 4.41Å; Y606-L644 HydrophobicContact CG-CG 4.04Å; L620-L644 HydrophobicContact CD1-CB 3.95Å; L620-L644 HydrophobicContact CD1-CD1 4.31Å; L644-S646 PolarHBondContact O-N 3.37Å; L644-N661 WeakPolarHBondContact O-CA 3.47Å; L644-N661 PolarHBondContact O-ND2 3Å; L644-N661 VanDerWaalsContact O-ND2 3.09Å; L644-N661 PolarHBondContact O-OD1 3.35Å; L644-A662 HydrophobicContact CB-CB 4.28Å; L644-A662 PolarHBondContact O-N 2.99Å
645	T	90.7	Very high	88.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.4	170.8	-61.7	0	0	0	0	109.7	T607 I624 L648 S660 N661	T607-T645 VanDerWaalsContact CG2-O 3.27Å; T607-T645 WeakPolarHBondContact CG2-O 3.41Å; T607-T645 PolarHBondContact OG1-O 3.18Å; I624-T645 HydrophobicContact CD1-CG2 3.96Å; I624-T645 HydrophobicContact CG1-CG2 4.11Å; T645-L648 HydrophobicContact CG2-CD2 3.73Å; T645-L648 HydrophobicContact CG2-CG 4.15Å; T645-S660 CarbonylContact C-O 3.57Å; T645-S660 WeakPolarHBondContact CA-O 3.27Å; T645-N661 WeakPolarHBondContact CA-ND2 3.49Å; T645-N661 PolarHBondContact N-ND2 2.87Å; T645-N661 PolarHBondContact OG1-ND2 3.08Å
646	S	85.5	Confident	88.2	Confident	12 Å²	12	40.8 Å²	40.8	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-36.7	-168.2	53.6	0	0	0	0	113.5	N403 T607 L644 S660 V690	N403-S646 PolarHBondContact ND2-O 3.44Å; T607-S646 WeakPolarHBondContact CG2-O 3.3Å; L644-S646 PolarHBondContact O-N 3.37Å; S646-S660 PolarHBondContact N-O 3.14Å; S646-S660 VanDerWaalsContact OG-C 3.28Å; S646-S660 WeakPolarHBondContact OG-CB 3.4Å; S646-S660 PolarHBondContact OG-O 2.91Å; S646-S660 PolarHBondContact OG-OG 3.12Å; S646-V690 VanDerWaalsContact CB-O 3.31Å; S646-V690 WeakPolarHBondContact CB-O 3.15Å; S646-V690 PolarHBondContact OG-O 3.36Å
647	E	87.3	Confident	88.2	Confident	4 Å²	4	38 Å²	38	2%	0.019	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	155.3	172.8	-176	164.8	-145.7	0	0	110.9	V400 V401 S659 S660 C692 V693	V400-E647 WeakPolarHBondContact CG1-OE1 3.33Å; V401-E647 HydrophobicContact CB-CG 4.28Å; V401-E647 PolarHBondContact N-OE1 3.11Å; E647-S659 WeakPolarHBondContact O-CA 3.5Å; E647-S660 WeakPolarHBondContact CB-OG 3.21Å; E647-S660 PolarHBondContact N-OG 3.43Å; E647-S660 VanDerWaalsContact N-OG 3.1Å; E647-S660 PolarHBondContact O-N 2.9Å; E647-S660 VanDerWaalsContact O-N 3.08Å; E647-S660 PolarHBondContact O-OG 2.89Å; E647-C692 WeakPolarHBondContact OE2-CA 3.31Å; E647-C692 PolarHBondContact OE2-SG 3.01Å; E647-V693 HydrophobicContact CB-CG1 4.21Å; E647-V693 HydrophobicContact CG-CG1 4.24Å; E647-V693 PolarHBondContact OE2-N 3Å
648	L	90.6	Very high	88.1	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.4	173.9	-66.3	174.9	0	0	0	108.6	L609 I616 I624 T645 L657 V658	L609-L648 HydrophobicContact CD1-CB 3.82Å; L609-L648 HydrophobicContact CD2-CB 4.07Å; L609-L648 HydrophobicContact CG-CB 3.81Å; L609-L648 HydrophobicContact CG-CD1 4.32Å; I616-L648 HydrophobicContact CG2-CD1 3.98Å; I624-L648 HydrophobicContact CD1-CD2 3.96Å; I624-L648 HydrophobicContact CG1-CD2 4.41Å; I624-L648 HydrophobicContact CG2-CD1 4.46Å; I624-L648 HydrophobicContact CG2-CD2 4.21Å; T645-L648 HydrophobicContact CG2-CD2 3.73Å; T645-L648 HydrophobicContact CG2-CG 4.15Å; L648-L657 HydrophobicContact CB-CD1 4.27Å; L648-L657 HydrophobicContact CD2-CD1 4.28Å; L648-L657 HydrophobicContact CD2-CD2 4.39Å; L648-L657 HydrophobicContact CD2-CG 4.44Å; L648-V658 WeakPolarHBondContact CA-O 3.42Å
649	A	88.8	Confident	88	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.033	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132	172.2	0	0	0	0	0	110.1	V658 V693 L695	A649-V658 PolarHBondContact N-O 3.01Å; A649-V658 PolarHBondContact O-N 2.9Å; A649-V693 HydrophobicContact CB-CG1 4.23Å; A649-L695 HydrophobicContact CB-CD1 3.82Å; A649-L695 HydrophobicContact CB-CG 3.79Å
650	F	84	Confident	87.8	Confident	29 Å²	29	29.8 Å²	29.8	13%	0.127	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	128.6	-179	177	-140.5	0	0	0	111	P397 L609 I656 M671	P397-F650 HydrophobicContact CB-CB 4.49Å; P397-F650 HydrophobicContact CB-CD1 3.35Å; P397-F650 HydrophobicContact CB-CE1 3.91Å; P397-F650 HydrophobicContact CB-CG 4.28Å; P397-F650 HydrophobicContact CG-CD1 3.67Å; P397-F650 HydrophobicContact CG-CE1 3.81Å; L609-F650 HydrophobicContact CD1-CB 3.93Å; F650-I656 VanDerWaalsContact CD2-O 3.26Å; F650-I656 WeakPolarHBondContact CD2-O 3.35Å; F650-M671 HydrophobicContact CD2-SD 3.3Å; F650-M671 WeakPolarHBondContact CD2-SD 3.16Å; F650-M671 HydrophobicContact CE2-CE 4.26Å; F650-M671 HydrophobicContact CE2-CG 4.47Å; F650-M671 HydrophobicContact CE2-SD 3.22Å; F650-M671 WeakPolarHBondContact CE2-SD 3.43Å; F650-M671 HydrophobicContact CG-SD 4.13Å; F650-M671 HydrophobicContact CZ-CE 4.43Å; F650-M671 HydrophobicContact CZ-SD 3.94Å
651	G	81	Confident	87.8	Confident	7 Å²	7	28.3 Å²	28.3	7%	0.072	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	94.1	174.2	0	0	0	0	0	111.3	E653 Q654 N655 I656	G651-E653 PolarHBondContact O-N 2.79Å; G651-Q654 PolarHBondContact O-N 2.84Å; G651-N655 PolarHBondContact O-N 2.87Å; G651-I656 PolarHBondContact N-O 2.85Å; G651-I656 PolarHBondContact O-N 2.78Å
652	S	72.7	Confident	87.6	Confident	55 Å²	55	28.6 Å²	28.6	39%	0.385	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-49.2	-51	-179.4	43.5	0	0	0	0	113.7	Q654 N655	S652-Q654 PolarHBondContact O-N 2.6Å; S652-N655 PolarHBondContact O-N 3.15Å
653	E	69.6	Low	87.5	Confident	121 Å²	121	19.6 Å²	19.6	57%	0.565	11%	0.108	S	C	*	.	G	3₁₀ helix	trans	-55.8	-28.2	-173.3	-52.8	-56.4	157.4	0	0	114	G651	G651-E653 PolarHBondContact O-N 2.79Å
654	Q	72.9	Confident	87.6	Confident	63 Å²	63	21.6 Å²	21.6	29%	0.294	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-115.8	0.8	-178.4	-66.8	174.5	-14.1	0	0	112.3	G651 S652 I656	G651-Q654 PolarHBondContact O-N 2.84Å; S652-Q654 PolarHBondContact O-N 2.6Å; Q654-I656 HydrophobicContact CB-CD1 4.48Å; Q654-I656 HydrophobicContact CB-CG1 4.16Å; Q654-I656 HydrophobicContact CB-CG2 4.08Å; Q654-I656 PolarHBondContact O-N 3.41Å
655	N	86.1	Confident	87.9	Confident	35 Å²	35	22 Å²	22	19%	0.187	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	39.2	-172.5	-163.6	33.9	0	0	0	113.7	G651 S652 M671 N672	G651-N655 PolarHBondContact O-N 2.87Å; S652-N655 PolarHBondContact O-N 3.15Å; N655-M671 PolarHBondContact O-N 3.09Å; N655-N672 PolarHBondContact ND2-ND2 3.43Å; N655-N672 PolarHBondContact ND2-OD1 3.45Å
656	I	90.8	Very high	88.2	Confident	12 Å²	12	22 Å²	22	6%	0.062	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.3	179.8	64.3	172.5	0	0	0	112	F650 G651 Q654 V658 V668 W669 K714	F650-I656 VanDerWaalsContact CD2-O 3.26Å; F650-I656 WeakPolarHBondContact CD2-O 3.35Å; G651-I656 PolarHBondContact N-O 2.85Å; G651-I656 PolarHBondContact O-N 2.78Å; Q654-I656 HydrophobicContact CB-CD1 4.48Å; Q654-I656 HydrophobicContact CB-CG1 4.16Å; Q654-I656 HydrophobicContact CB-CG2 4.08Å; Q654-I656 PolarHBondContact O-N 3.41Å; I656-V658 HydrophobicContact CD1-CG2 4.27Å; I656-V668 HydrophobicContact CB-CG1 4.04Å; I656-V668 HydrophobicContact CD1-CG1 4Å; I656-V668 HydrophobicContact CG2-CG1 4.19Å; I656-W669 CarbonylContact C-O 3.59Å; I656-W669 VanDerWaalsContact CA-O 3.27Å; I656-W669 WeakPolarHBondContact CA-O 3.18Å; I656-K714 HydrophobicContact CD1-CD 4.34Å; I656-K714 HydrophobicContact CD1-CG 3.73Å
657	L	93.6	Very high	88.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.9	164.7	179.8	68.7	0	0	0	108.3	L609 I616 I624 F638 L648 V668 W669 M671	L609-L657 HydrophobicContact CD1-CD1 4.03Å; I616-L657 HydrophobicContact CD1-CD1 4.04Å; I616-L657 HydrophobicContact CG2-CD1 4.21Å; I616-L657 HydrophobicContact CG2-CD2 3.63Å; I624-L657 HydrophobicContact CG2-CD2 4.01Å; F638-L657 HydrophobicContact CD2-CD2 4.41Å; F638-L657 HydrophobicContact CE2-CD2 3.86Å; L648-L657 HydrophobicContact CB-CD1 4.27Å; L648-L657 HydrophobicContact CD2-CD1 4.28Å; L648-L657 HydrophobicContact CD2-CD2 4.39Å; L648-L657 HydrophobicContact CD2-CG 4.44Å; L657-V668 CarbonylContact O-C 3.55Å; L657-V668 WeakPolarHBondContact O-CA 3.43Å; L657-W669 HydrophobicContact CB-CB 4.37Å; L657-W669 PolarHBondContact N-O 3.18Å; L657-W669 PolarHBondContact O-N 2.9Å; L657-M671 HydrophobicContact CB-CG 3.73Å; L657-M671 HydrophobicContact CB-SD 4.06Å
658	V	95	Very high	89.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.7	173.3	-175.8	0	0	0	0	108.8	L648 A649 I656 I666 R667 V668 V693 L695 I700	L648-V658 WeakPolarHBondContact CA-O 3.42Å; A649-V658 PolarHBondContact N-O 3.01Å; A649-V658 PolarHBondContact O-N 2.9Å; I656-V658 HydrophobicContact CD1-CG2 4.27Å; V658-I666 HydrophobicContact CG1-CG2 3.4Å; V658-R667 WeakPolarHBondContact CA-O 3.32Å; V658-V668 HydrophobicContact CG1-CG2 4.46Å; V658-V668 HydrophobicContact CG2-CG1 4.19Å; V658-V668 HydrophobicContact CG2-CG2 4.09Å; V658-V693 HydrophobicContact CG1-CG2 3.83Å; V658-L695 HydrophobicContact CB-CD2 4.31Å; V658-L695 HydrophobicContact CG2-CD1 4.41Å; V658-L695 HydrophobicContact CG2-CD2 3.85Å; V658-I700 HydrophobicContact CG1-CD1 4.31Å; V658-I700 HydrophobicContact CG1-CG2 3.97Å; V658-I700 HydrophobicContact CG2-CD1 4Å; V658-I700 HydrophobicContact CG2-CG1 4.39Å
659	S	95	Very high	89.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.6	-179.7	57.1	0	0	0	0	111.1	I624 H641 E647 I666 R667 W669	I624-S659 WeakPolarHBondContact CD1-OG 3.46Å; H641-S659 PolarHBondContact NE2-OG 2.77Å; E647-S659 WeakPolarHBondContact O-CA 3.5Å; S659-I666 CarbonylContact O-C 3.58Å; S659-I666 VanDerWaalsContact O-CA 3.26Å; S659-I666 WeakPolarHBondContact O-CA 3.23Å; S659-I666 WeakPolarHBondContact O-CG2 3.34Å; S659-R667 PolarHBondContact N-O 3.13Å; S659-R667 PolarHBondContact O-N 3.07Å; S659-W669 PolarHBondContact OG-NE1 2.96Å
660	S	92.8	Very high	89.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	147.4	165.3	54	0	0	0	0	109.7	T645 S646 E647	T645-S660 CarbonylContact C-O 3.57Å; T645-S660 WeakPolarHBondContact CA-O 3.27Å; S646-S660 PolarHBondContact N-O 3.14Å; S646-S660 VanDerWaalsContact OG-C 3.28Å; S646-S660 WeakPolarHBondContact OG-CB 3.4Å; S646-S660 PolarHBondContact OG-O 2.91Å; S646-S660 PolarHBondContact OG-OG 3.12Å; E647-S660 WeakPolarHBondContact CB-OG 3.21Å; E647-S660 PolarHBondContact N-OG 3.43Å; E647-S660 VanDerWaalsContact N-OG 3.1Å; E647-S660 PolarHBondContact O-N 2.9Å; E647-S660 VanDerWaalsContact O-N 3.08Å; E647-S660 PolarHBondContact O-OG 2.89Å
661	N	94.2	Very high	89.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.4	-177.2	-165.1	-80	0	0	0	111.7	H641 S643 L644 T645 D663 E664 T665 V690	H641-N661 WeakPolarHBondContact CB-ND2 3.2Å; H641-N661 WeakPolarHBondContact CE1-CB 3.36Å; H641-N661 VanDerWaalsContact CG-ND2 3.28Å; H641-N661 WeakPolarHBondContact ND1-CB 3.4Å; S643-N661 VanDerWaalsContact C-OD1 3.29Å; S643-N661 WeakPolarHBondContact CB-OD1 3.24Å; S643-N661 PolarHBondContact N-OD1 3.27Å; S643-N661 PolarHBondContact O-ND2 2.58Å; S643-N661 PolarHBondContact O-OD1 3.18Å; L644-N661 WeakPolarHBondContact O-CA 3.47Å; L644-N661 PolarHBondContact O-ND2 3Å; L644-N661 VanDerWaalsContact O-ND2 3.09Å; L644-N661 PolarHBondContact O-OD1 3.35Å; T645-N661 WeakPolarHBondContact CA-ND2 3.49Å; T645-N661 PolarHBondContact N-ND2 2.87Å; T645-N661 PolarHBondContact OG1-ND2 3.08Å; N661-D663 WeakPolarHBondContact CB-OD1 3.48Å; N661-D663 PolarHBondContact O-N 2.88Å; N661-D663 VanDerWaalsContact OD1-CB 3.3Å; N661-D663 WeakPolarHBondContact OD1-CB 3.28Å; N661-D663 PolarHBondContact OD1-N 3.04Å; N661-D663 PolarHBondContact OD1-OD1 3.2Å; N661-D663 PolarHBondContact OD1-OD2 3.45Å; N661-E664 PolarHBondContact O-N 3.32Å; N661-T665 PolarHBondContact N-O 2.94Å; N661-V690 PolarHBondContact O-N 2.91Å; N661-V690 VanDerWaalsContact O-N 3.09Å
662	A	91.9	Very high	90.2	Very high	13 Å²	13	31.3 Å²	31.3	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.3	178.7	0	0	0	0	0	111.9	M453 L644 E664 A689	M453-A662 HydrophobicContact CE-CB 3.23Å; M453-A662 WeakPolarHBondContact CE-O 3.33Å; M453-A662 HydrophobicContact SD-CB 4.36Å; L644-A662 HydrophobicContact CB-CB 4.28Å; L644-A662 PolarHBondContact O-N 2.99Å; A662-E664 PolarHBondContact O-N 3.36Å; A662-A689 HydrophobicContact CB-CB 4.01Å
663	D	92.5	Very high	91.1	Very high	25 Å²	25	31.3 Å²	31.3	13%	0.134	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	16.8	170.1	75	10.4	0	0	0	115.8	H641 R642 N661 T665	H641-D663 WeakPolarHBondContact CA-OD2 3.49Å; H641-D663 IonicContact CE1-OD1 2.88Å; H641-D663 IonicContact CG-OD2 3.27Å; H641-D663 IonicContact ND1-OD1 3.91Å; H641-D663 PolarHBondContact ND1-OD1 2.71Å; H641-D663 IonicContact ND1-OD2 3.52Å; H641-D663 PolarHBondContact ND1-OD2 3.33Å; R642-D663 HydrophobicContact CB-CB 3.92Å; R642-D663 PolarHBondContact N-OD2 2.83Å; N661-D663 WeakPolarHBondContact CB-OD1 3.48Å; N661-D663 PolarHBondContact O-N 2.88Å; N661-D663 VanDerWaalsContact OD1-CB 3.3Å; N661-D663 WeakPolarHBondContact OD1-CB 3.28Å; N661-D663 PolarHBondContact OD1-N 3.04Å; N661-D663 PolarHBondContact OD1-OD1 3.2Å; N661-D663 PolarHBondContact OD1-OD2 3.45Å; D663-T665 PolarHBondContact O-N 3.1Å; D663-T665 WeakPolarHBondContact OD1-CA 3.02Å; D663-T665 VanDerWaalsContact OD1-CB 3.31Å; D663-T665 WeakPolarHBondContact OD1-CB 3.45Å; D663-T665 PolarHBondContact OD1-N 2.8Å; D663-T665 PolarHBondContact OD1-OG1 3.47Å; D663-T665 PolarHBondContact OD2-OG1 3.16Å
664	E	94.6	Very high	92.1	Very high	60 Å²	60	26.2 Å²	26.2	28%	0.28	14%	0.141	S	C	.	.	S	Bend	trans	68.4	0.1	-179	-39.1	172.9	165.7	0	0	115.2	N661 A662 K685 S688	N661-E664 PolarHBondContact O-N 3.32Å; A662-E664 PolarHBondContact O-N 3.36Å; E664-K685 IonicContact OE2-NZ 2.76Å; E664-K685 PolarHBondContact OE2-NZ 2.75Å; E664-S688 WeakPolarHBondContact CA-O 3.36Å
665	T	95.8	Very high	93.1	Very high	22 Å²	22	30.4 Å²	30.4	14%	0.135	16%	0.158	C	C	.	.			trans	-105.2	151.2	-178.8	76.1	0	0	0	0	113.1	H641 N661 D663	H641-T665 PolarHBondContact CE1-OG1 3.29Å; H641-T665 VanDerWaalsContact CE1-OG1 3.28Å; H641-T665 PolarHBondContact ND1-OG1 2.65Å; N661-T665 PolarHBondContact N-O 2.94Å; D663-T665 PolarHBondContact O-N 3.1Å; D663-T665 WeakPolarHBondContact OD1-CA 3.02Å; D663-T665 VanDerWaalsContact OD1-CB 3.31Å; D663-T665 WeakPolarHBondContact OD1-CB 3.45Å; D663-T665 PolarHBondContact OD1-N 2.8Å; D663-T665 PolarHBondContact OD1-OG1 3.47Å; D663-T665 PolarHBondContact OD2-OG1 3.16Å
666	I	97.7	Very high	93.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.6	160.4	-57.4	117.8	0	0	0	107.9	V658 S659 L680 V690 V693 S702 W712	V658-I666 HydrophobicContact CG1-CG2 3.4Å; S659-I666 CarbonylContact O-C 3.58Å; S659-I666 VanDerWaalsContact O-CA 3.26Å; S659-I666 WeakPolarHBondContact O-CA 3.23Å; S659-I666 WeakPolarHBondContact O-CG2 3.34Å; I666-L680 HydrophobicContact CB-CB 4.06Å; I666-L680 HydrophobicContact CB-CD1 3.91Å; I666-L680 HydrophobicContact CB-CG 4.12Å; I666-L680 HydrophobicContact CD1-CB 4.49Å; I666-L680 HydrophobicContact CG2-CD1 3.69Å; I666-L680 HydrophobicContact CG2-CG 4.21Å; I666-L680 PolarHBondContact O-N 3.37Å; I666-V690 HydrophobicContact CD1-CG1 3.98Å; I666-V690 HydrophobicContact CD1-CG2 4.18Å; I666-V690 HydrophobicContact CG1-CB 4.43Å; I666-V690 HydrophobicContact CG1-CG1 3.81Å; I666-V690 HydrophobicContact CG1-CG2 4.17Å; I666-V693 HydrophobicContact CG2-CG2 4.45Å; I666-S702 VanDerWaalsContact CD1-CB 3.42Å; I666-S702 WeakPolarHBondContact CD1-OG 3.22Å; I666-W712 HydrophobicContact CD1-CZ2 4.37Å
667	R	97.5	Very high	93.8	Very high	42 Å²	42	33.8 Å²	33.8	16%	0.158	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140	176.8	-68	179.3	173.8	-93.5	1.3	110.7	G640 V658 S659 W669 V679	G640-R667 VanDerWaalsContact O-CZ 3.29Å; G640-R667 PolarHBondContact O-NE 2.92Å; G640-R667 PolarHBondContact O-NH2 3.17Å; V658-R667 WeakPolarHBondContact CA-O 3.32Å; S659-R667 PolarHBondContact N-O 3.13Å; S659-R667 PolarHBondContact O-N 3.07Å; R667-W669 HydrophobicContact CB-CD2 4.43Å; R667-W669 HydrophobicContact CB-CH2 4.39Å; R667-W669 HydrophobicContact CB-CZ2 3.57Å; R667-W669 HydrophobicContact CG-CZ2 4.06Å; R667-V679 HydrophobicContact CG-CG1 4.26Å; R667-V679 HydrophobicContact CG-CG2 4.36Å; R667-V679 VanDerWaalsContact NH1-CG2 3.31Å
668	V	97	Very high	93.9	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.6	175	-174.9	0	0	0	0	107.7	I656 L657 V658 C676 V677 H678 L680 I700	I656-V668 HydrophobicContact CB-CG1 4.04Å; I656-V668 HydrophobicContact CD1-CG1 4Å; I656-V668 HydrophobicContact CG2-CG1 4.19Å; L657-V668 CarbonylContact O-C 3.55Å; L657-V668 WeakPolarHBondContact O-CA 3.43Å; V658-V668 HydrophobicContact CG1-CG2 4.46Å; V658-V668 HydrophobicContact CG2-CG1 4.19Å; V658-V668 HydrophobicContact CG2-CG2 4.09Å; V668-C676 CarbonylContact O-C 3.51Å; V668-C676 WeakPolarHBondContact O-CA 3.42Å; V668-V677 HydrophobicContact CG1-CB 4.46Å; V668-V677 PolarHBondContact O-N 2.91Å; V668-H678 HydrophobicContact CB-CB 3.97Å; V668-H678 HydrophobicContact CG2-CB 3.97Å; V668-H678 PolarHBondContact N-O 3.4Å; V668-H678 PolarHBondContact O-N 3Å; V668-L680 HydrophobicContact CG2-CD1 4.43Å; V668-L680 HydrophobicContact CG2-CD2 4.23Å; V668-L680 HydrophobicContact CG2-CG 4.36Å; V668-I700 HydrophobicContact CG2-CD1 3.51Å
669	W	95.8	Very high	94	Very high	6 Å²	6	39 Å²	39	2%	0.023	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.9	-175.9	-43.7	90.7	0	0	0	110.1	F638 Y639 I656 L657 S659 R667 M671 K675 C676	F638-W669 HydrophobicContact CB-CD2 4.01Å; F638-W669 HydrophobicContact CB-CE3 3.85Å; F638-W669 HydrophobicContact CB-CH2 3.83Å; F638-W669 HydrophobicContact CB-CZ2 3.97Å; F638-W669 HydrophobicContact CB-CZ3 3.76Å; F638-W669 HydrophobicContact CD1-CB 4Å; F638-W669 AromaticContact CD1-CD2 3.65Å; F638-W669 HydrophobicContact CD1-CD2 3.65Å; F638-W669 AromaticContact CD1-CE3 3.35Å; F638-W669 HydrophobicContact CD1-CE3 3.35Å; F638-W669 AromaticContact CD1-CG 3.96Å; F638-W669 HydrophobicContact CD1-CG 3.96Å; F638-W669 HydrophobicContact CD1-CZ3 4.02Å; F638-W669 HydrophobicContact CE1-CB 3.61Å; F638-W669 HydrophobicContact CE1-CD2 4.22Å; F638-W669 HydrophobicContact CE1-CE3 4.12Å; F638-W669 HydrophobicContact CE1-CG 4.06Å; F638-W669 AromaticContact CG-CD2 3.89Å; F638-W669 HydrophobicContact CG-CD2 3.89Å; F638-W669 AromaticContact CG-CE3 3.87Å; F638-W669 HydrophobicContact CG-CE3 3.87Å; F638-W669 HydrophobicContact CG-CG 4.26Å; F638-W669 HydrophobicContact CG-CZ3 4.29Å; F638-W669 HydrophobicContact CZ-CB 3.96Å; F638-W669 HydrophobicContact CZ-CG 4.46Å; Y639-W669 WeakPolarHBondContact O-CH2 3.21Å; I656-W669 CarbonylContact C-O 3.59Å; I656-W669 VanDerWaalsContact CA-O 3.27Å; I656-W669 WeakPolarHBondContact CA-O 3.18Å; L657-W669 HydrophobicContact CB-CB 4.37Å; L657-W669 PolarHBondContact N-O 3.18Å; L657-W669 PolarHBondContact O-N 2.9Å; S659-W669 PolarHBondContact OG-NE1 2.96Å; R667-W669 HydrophobicContact CB-CD2 4.43Å; R667-W669 HydrophobicContact CB-CH2 4.39Å; R667-W669 HydrophobicContact CB-CZ2 3.57Å; R667-W669 HydrophobicContact CG-CZ2 4.06Å; W669-M671 PolarHBondContact O-N 3.08Å; W669-K675 WeakPolarHBondContact CA-O 3.14Å; W669-C676 HydrophobicContact CE3-CB 3.63Å; W669-C676 HydrophobicContact CH2-CB 4.42Å; W669-C676 HydrophobicContact CZ3-CB 3.56Å
670	H	93.2	Very high	94	Very high	63 Å²	63	39 Å²	39	29%	0.292	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	111.9	169	177	-88.7	0	0	0	108.9	N672 S673 G674 K675 V677	H670-N672 PolarHBondContact O-N 2.91Å; H670-S673 WeakPolarHBondContact ND1-CB 3.17Å; H670-S673 PolarHBondContact ND1-N 3.38Å; H670-S673 PolarHBondContact ND1-OG 2.86Å; H670-S673 PolarHBondContact O-N 3.29Å; H670-S673 VanDerWaalsContact O-N 3.16Å; H670-S673 PolarHBondContact O-OG 2.96Å; H670-G674 PolarHBondContact O-N 3.14Å; H670-K675 PolarHBondContact N-O 2.71Å; H670-V677 HydrophobicContact CB-CG2 3.66Å
671	M	88.6	Confident	93.7	Very high	11 Å²	11	41 Å²	41	5%	0.054	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-42.5	-162.7	-81.6	-176	49.5	0	0	114	I616 I626 F650 N655 L657 W669 S673	I616-M671 HydrophobicContact CD1-CE 3.55Å; I616-M671 HydrophobicContact CD1-SD 3.82Å; I616-M671 HydrophobicContact CG1-CE 4.44Å; I626-M671 HydrophobicContact CD1-CB 4.23Å; I626-M671 HydrophobicContact CD1-CE 4.01Å; I626-M671 HydrophobicContact CD1-CG 4.07Å; F650-M671 HydrophobicContact CD2-SD 3.3Å; F650-M671 WeakPolarHBondContact CD2-SD 3.16Å; F650-M671 HydrophobicContact CE2-CE 4.26Å; F650-M671 HydrophobicContact CE2-CG 4.47Å; F650-M671 HydrophobicContact CE2-SD 3.22Å; F650-M671 WeakPolarHBondContact CE2-SD 3.43Å; F650-M671 HydrophobicContact CG-SD 4.13Å; F650-M671 HydrophobicContact CZ-CE 4.43Å; F650-M671 HydrophobicContact CZ-SD 3.94Å; N655-M671 PolarHBondContact O-N 3.09Å; L657-M671 HydrophobicContact CB-CG 3.73Å; L657-M671 HydrophobicContact CB-SD 4.06Å; W669-M671 PolarHBondContact O-N 3.08Å; M671-S673 VanDerWaalsContact C-N 3.33Å; M671-S673 PolarHBondContact O-N 2.84Å
672	N	87.4	Confident	93.4	Very high	126 Å²	126	43.2 Å²	43.2	67%	0.674	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.1	-176.3	-67.8	7	0	0	0	114.1	N655 H670	N655-N672 PolarHBondContact ND2-ND2 3.43Å; N655-N672 PolarHBondContact ND2-OD1 3.45Å; H670-N672 PolarHBondContact O-N 2.91Å
673	S	90.9	Very high	93.3	Very high	56 Å²	56	48.4 Å²	48.4	39%	0.392	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-5.4	-173.5	69.7	0	0	0	0	114	H670 M671 K675	H670-S673 WeakPolarHBondContact ND1-CB 3.17Å; H670-S673 PolarHBondContact ND1-N 3.38Å; H670-S673 PolarHBondContact ND1-OG 2.86Å; H670-S673 PolarHBondContact O-N 3.29Å; H670-S673 VanDerWaalsContact O-N 3.16Å; H670-S673 PolarHBondContact O-OG 2.96Å; M671-S673 VanDerWaalsContact C-N 3.33Å; M671-S673 PolarHBondContact O-N 2.84Å; S673-K675 PolarHBondContact O-N 2.96Å
674	G	90.4	Very high	93.3	Very high	14 Å²	14	50.5 Å²	50.5	14%	0.144	29%	0.291	C	S	.	.			trans	70.9	-8.2	-175.6	0	0	0	0	0	115.1	F638 H670	F638-G674 WeakPolarHBondContact CD1-O 3.32Å; H670-G674 PolarHBondContact O-N 3.14Å
675	K	94.4	Very high	93.3	Very high	150 Å²	150	50.8 Å²	50.8	65%	0.652	29%	0.291	S	S	*	.			trans	-75.7	130	-171.2	-65.9	-175.7	178.8	-177.9	0	111.3	W669 H670 S673 V677	W669-K675 WeakPolarHBondContact CA-O 3.14Å; H670-K675 PolarHBondContact N-O 2.71Å; S673-K675 PolarHBondContact O-N 2.96Å; K675-V677 PolarHBondContact O-N 3.28Å
676	C	96	Very high	93.2	Very high	46 Å²	46	49.8 Å²	49.8	31%	0.311	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	109.8	159.9	-158.1	0	0	0	0	107.3	V668 W669 H678	V668-C676 CarbonylContact O-C 3.51Å; V668-C676 WeakPolarHBondContact O-CA 3.42Å; W669-C676 HydrophobicContact CE3-CB 3.63Å; W669-C676 HydrophobicContact CH2-CB 4.42Å; W669-C676 HydrophobicContact CZ3-CB 3.56Å; C676-H678 PolarHBondContact SG-O 2.82Å; C676-H678 VanDerWaalsContact SG-O 3.36Å
677	V	95.4	Very high	93.1	Very high	72 Å²	72	55.3 Å²	55.3	44%	0.436	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	-47.5	177.9	-173.4	0	0	0	0	109.5	V668 H670 K675	V668-V677 HydrophobicContact CG1-CB 4.46Å; V668-V677 PolarHBondContact O-N 2.91Å; H670-V677 HydrophobicContact CB-CG2 3.66Å; K675-V677 PolarHBondContact O-N 3.28Å
678	H	96.1	Very high	92.9	Very high	42 Å²	42	54.4 Å²	54.4	19%	0.194	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.3	-179.5	-58.3	-59.1	0	0	0	111.3	V668 C676 L680 Q715 S716 G717	V668-H678 HydrophobicContact CB-CB 3.97Å; V668-H678 HydrophobicContact CG2-CB 3.97Å; V668-H678 PolarHBondContact N-O 3.4Å; V668-H678 PolarHBondContact O-N 3Å; C676-H678 PolarHBondContact SG-O 2.82Å; C676-H678 VanDerWaalsContact SG-O 3.36Å; H678-L680 HydrophobicContact CB-CD2 3.91Å; H678-Q715 PolarHBondContact NE2-O 3.47Å; H678-S716 PolarHBondContact CE1-O 3.46Å; H678-G717 PolarHBondContact NE2-N 3.2Å
679	V	96.9	Very high	92.6	Very high	67 Å²	67	55 Å²	55	41%	0.406	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.6	161.5	-173.3	0	0	0	0	105.8	R667 A681	R667-V679 HydrophobicContact CG-CG1 4.26Å; R667-V679 HydrophobicContact CG-CG2 4.36Å; R667-V679 VanDerWaalsContact NH1-CG2 3.31Å; V679-A681 VanDerWaalsContact C-N 3.26Å; V679-A681 HydrophobicContact CG1-CB 4.07Å; V679-A681 PolarHBondContact O-N 2.94Å
680	L	95.6	Very high	92.6	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	83.1	-177	-45.8	-174.9	0	0	0	108.2	I666 V668 H678 I700 W712 G717	I666-L680 HydrophobicContact CB-CB 4.06Å; I666-L680 HydrophobicContact CB-CD1 3.91Å; I666-L680 HydrophobicContact CB-CG 4.12Å; I666-L680 HydrophobicContact CD1-CB 4.49Å; I666-L680 HydrophobicContact CG2-CD1 3.69Å; I666-L680 HydrophobicContact CG2-CG 4.21Å; I666-L680 PolarHBondContact O-N 3.37Å; V668-L680 HydrophobicContact CG2-CD1 4.43Å; V668-L680 HydrophobicContact CG2-CD2 4.23Å; V668-L680 HydrophobicContact CG2-CG 4.36Å; H678-L680 HydrophobicContact CB-CD2 3.91Å; L680-I700 HydrophobicContact CD1-CB 4.34Å; L680-I700 HydrophobicContact CD1-CD1 3.84Å; L680-I700 HydrophobicContact CD1-CG2 4.03Å; L680-W712 HydrophobicContact CB-CD2 3.92Å; L680-W712 HydrophobicContact CB-CE3 3.74Å; L680-W712 HydrophobicContact CB-CH2 4.07Å; L680-W712 HydrophobicContact CB-CZ2 4.21Å; L680-W712 HydrophobicContact CB-CZ3 3.81Å; L680-W712 HydrophobicContact CD1-CB 4.05Å; L680-W712 HydrophobicContact CD1-CD2 3.93Å; L680-W712 HydrophobicContact CD1-CE3 4.41Å; L680-W712 HydrophobicContact CD1-CG 3.74Å; L680-W712 HydrophobicContact CD2-CE3 4.38Å; L680-W712 HydrophobicContact CG-CD2 4.38Å; L680-W712 HydrophobicContact CG-CE3 4.39Å; L680-G717 WeakPolarHBondContact CD2-O 3.49Å
681	A	85.7	Confident	92.4	Very high	42 Å²	42	53.1 Å²	53.1	35%	0.347	31%	0.31	S	S	.	.			trans	-137.3	-155.6	-174.6	0	0	0	0	0	110.5	V679 K685	V679-A681 VanDerWaalsContact C-N 3.26Å; V679-A681 HydrophobicContact CG1-CB 4.07Å; V679-A681 PolarHBondContact O-N 2.94Å; A681-K685 HydrophobicContact CB-CB 4.5Å
682	G	87.8	Confident	92.5	Very high	45 Å²	45	52.7 Å²	52.7	46%	0.464	31%	0.308	S	S	.	.	S	Bend	trans	87.6	-158.3	-177.8	0	0	0	0	0	112.9	H684 K685	G682-H684 PolarHBondContact O-N 2.93Å; G682-K685 WeakPolarHBondContact O-CB 3.25Å; G682-K685 WeakPolarHBondContact O-CG 3.2Å; G682-K685 PolarHBondContact O-N 2.89Å; G682-K685 VanDerWaalsContact O-N 3.13Å
683	P	90.8	Very high	92.8	Very high	122 Å²	122	46.7 Å²	46.7	79%	0.792	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.7	-170.3	-26.3	35.2	0	0	0	115.3
684	H	92.4	Very high	93	Very high	70 Å²	70	44.6 Å²	44.6	32%	0.324	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	13	-176.6	-57.7	-76.2	0	0	0	113.7	G682 K710 Y719	G682-H684 PolarHBondContact O-N 2.93Å; H684-K710 WeakPolarHBondContact O-CD 3.33Å; H684-K710 WeakPolarHBondContact O-CE 3.2Å; H684-K710 PolarHBondContact O-NZ 2.79Å; H684-Y719 HydrophobicContact CB-CD1 3.7Å; H684-Y719 HydrophobicContact CB-CD2 3.46Å; H684-Y719 VanDerWaalsContact CB-CD2 3.46Å; H684-Y719 HydrophobicContact CB-CE1 3.87Å; H684-Y719 HydrophobicContact CB-CE2 3.62Å; H684-Y719 HydrophobicContact CB-CG 3.47Å; H684-Y719 VanDerWaalsContact CB-CG 3.47Å; H684-Y719 AromaticContact CD2-CD1 3.45Å; H684-Y719 VanDerWaalsContact CD2-CD1 3.45Å; H684-Y719 WeakPolarHBondContact CD2-CD1 3.41Å; H684-Y719 AromaticContact CD2-CE1 3.77Å; H684-Y719 AromaticContact CD2-CG 3.98Å; H684-Y719 AromaticContact CE1-CE1 3.88Å; H684-Y719 AromaticContact CG-CD1 3.44Å; H684-Y719 VanDerWaalsContact CG-CD1 3.44Å; H684-Y719 AromaticContact CG-CE1 3.44Å; H684-Y719 VanDerWaalsContact CG-CE1 3.44Å; H684-Y719 AromaticContact CG-CG 3.78Å; H684-Y719 AromaticContact CG-CZ 3.78Å; H684-Y719 AromaticContact ND1-CE1 3.52Å; H684-Y719 AromaticContact ND1-CZ 3.76Å
685	K	93.9	Very high	93	Very high	65 Å²	65	45.8 Å²	45.8	28%	0.283	26%	0.262	S	S	.	.	S	Bend	trans	-54.5	160.5	175.4	70.8	157.1	-175.2	163.9	0	112	E664 A681 G682 Q687	E664-K685 IonicContact OE2-NZ 2.76Å; E664-K685 PolarHBondContact OE2-NZ 2.75Å; A681-K685 HydrophobicContact CB-CB 4.5Å; G682-K685 WeakPolarHBondContact O-CB 3.25Å; G682-K685 WeakPolarHBondContact O-CG 3.2Å; G682-K685 PolarHBondContact O-N 2.89Å; G682-K685 VanDerWaalsContact O-N 3.13Å; K685-Q687 PolarHBondContact O-NE2 2.82Å
686	H	94.7	Very high	92.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	23%	0.233	C	C	.	.			trans	-61.5	148.9	164.7	-76.9	-75.2	0	0	0	110.3	V690 S702 D706 T708	H686-V690 HydrophobicContact CB-CG2 3.95Å; H686-S702 PolarHBondContact NE2-OG 2.81Å; H686-D706 WeakPolarHBondContact CA-OD2 3.39Å; H686-D706 WeakPolarHBondContact CB-OD2 3.3Å; H686-D706 IonicContact CE1-OD1 3.96Å; H686-D706 IonicContact CG-OD2 3.53Å; H686-D706 IonicContact ND1-OD1 3.88Å; H686-D706 PolarHBondContact ND1-OD1 3.38Å; H686-D706 IonicContact ND1-OD2 3.27Å; H686-D706 PolarHBondContact ND1-OD2 3.33Å; H686-T708 PolarHBondContact CE1-OG1 3.3Å; H686-T708 VanDerWaalsContact CE1-OG1 3.29Å; H686-T708 PolarHBondContact ND1-OG1 2.83Å
687	Q	94.2	Very high	92.3	Very high	118 Å²	118	39.1 Å²	39.1	55%	0.551	23%	0.227	S	C	*	.	S	Bend	trans	-105.2	12.4	-178.9	-52.8	-60.9	-53.2	0	0	112.3	K685 D706	K685-Q687 PolarHBondContact O-NE2 2.82Å; Q687-D706 HydrophobicContact CB-CB 4.11Å; Q687-D706 PolarHBondContact N-OD2 3.1Å
688	S	93.4	Very high	92	Very high	23 Å²	23	38.2 Å²	38.2	16%	0.161	22%	0.22	C	C	.	.	S	Bend	trans	-163.4	-175.6	176.2	-159.3	0	0	0	0	108.7	E664 V690	E664-S688 WeakPolarHBondContact CA-O 3.36Å; S688-V690 PolarHBondContact O-N 2.86Å
689	A	91.8	Very high	91.9	Very high	15 Å²	15	36.2 Å²	36.2	12%	0.124	21%	0.211	C	C	.	.			trans	-53.1	133.8	-178.3	0	0	0	0	0	112.3	A662 G704 D705	A662-A689 HydrophobicContact CB-CB 4.01Å; A689-G704 CarbonylContact O-C 3.55Å; A689-G704 WeakPolarHBondContact O-CA 3.47Å; A689-D705 PolarHBondContact O-N 3.28Å
690	V	94.4	Very high	91.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.1	173.5	-170.2	0	0	0	0	107.6	S646 N661 I666 H686 S688 S703	S646-V690 VanDerWaalsContact CB-O 3.31Å; S646-V690 WeakPolarHBondContact CB-O 3.15Å; S646-V690 PolarHBondContact OG-O 3.36Å; N661-V690 PolarHBondContact O-N 2.91Å; N661-V690 VanDerWaalsContact O-N 3.09Å; I666-V690 HydrophobicContact CD1-CG1 3.98Å; I666-V690 HydrophobicContact CD1-CG2 4.18Å; I666-V690 HydrophobicContact CG1-CB 4.43Å; I666-V690 HydrophobicContact CG1-CG1 3.81Å; I666-V690 HydrophobicContact CG1-CG2 4.17Å; H686-V690 HydrophobicContact CB-CG2 3.95Å; S688-V690 PolarHBondContact O-N 2.86Å; V690-S703 CarbonylContact C-O 3.53Å; V690-S703 WeakPolarHBondContact CA-O 3.5Å; V690-S703 WeakPolarHBondContact CG1-O 3.46Å
691	T	89.5	Confident	91.9	Very high	28 Å²	28	33 Å²	33	17%	0.172	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-37.3	-169	50.6	0	0	0	0	113.2	S703 I735 W736	T691-S703 PolarHBondContact N-O 2.84Å; T691-S703 VanDerWaalsContact OG1-C 3.29Å; T691-S703 PolarHBondContact OG1-O 3.26Å; T691-S703 PolarHBondContact OG1-OG 3.23Å; T691-I735 WeakPolarHBondContact CB-O 3.47Å; T691-I735 WeakPolarHBondContact CG2-O 3.22Å; T691-I735 PolarHBondContact OG1-O 3.39Å; T691-W736 WeakPolarHBondContact CB-O 3.43Å
692	C	91.3	Very high	92.4	Very high	2 Å²	2	31 Å²	31	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	150	-172.6	177.3	0	0	0	0	110.1	E647 S702 S703 R737 I738	E647-C692 WeakPolarHBondContact OE2-CA 3.31Å; E647-C692 PolarHBondContact OE2-SG 3.01Å; C692-S702 WeakPolarHBondContact O-CA 3.49Å; C692-S703 WeakPolarHBondContact CB-OG 3.18Å; C692-S703 PolarHBondContact O-N 2.97Å; C692-R737 HydrophobicContact CB-CG 4.43Å; C692-I738 HydrophobicContact CB-CG1 4.01Å; C692-I738 WeakPolarHBondContact SG-CG1 3.43Å; C692-I738 PolarHBondContact SG-N 3.21Å; C692-I738 VanDerWaalsContact SG-N 3.39Å; C692-I738 PolarHBondContact SG-O 3.25Å; C692-I738 VanDerWaalsContact SG-O 3.41Å
693	V	94.1	Very high	92.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.1	176.6	67	0	0	0	0	111.4	E647 A649 V658 I666 I700 I701	E647-V693 HydrophobicContact CB-CG1 4.21Å; E647-V693 HydrophobicContact CG-CG1 4.24Å; E647-V693 PolarHBondContact OE2-N 3Å; A649-V693 HydrophobicContact CB-CG1 4.23Å; V658-V693 HydrophobicContact CG1-CG2 3.83Å; I666-V693 HydrophobicContact CG2-CG2 4.45Å; V693-I700 HydrophobicContact CG2-CG2 3.62Å; V693-I701 CarbonylContact C-O 3.58Å; V693-I701 WeakPolarHBondContact CA-O 3.35Å
694	Q	93.8	Very high	92.8	Very high	12 Å²	12	23 Å²	23	6%	0.056	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.4	-178.8	-67.3	-66.1	-76.4	0	0	111.1	I701 I738 A740	Q694-I701 HydrophobicContact CB-CB 4.45Å; Q694-I701 PolarHBondContact N-O 2.96Å; Q694-I701 PolarHBondContact O-N 2.75Å; Q694-I738 HydrophobicContact CB-CD1 4.27Å; Q694-I738 HydrophobicContact CG-CD1 4Å; Q694-I738 HydrophobicContact CG-CG1 3.88Å; Q694-A740 HydrophobicContact CB-CB 3.92Å; Q694-A740 HydrophobicContact CG-CB 4.37Å
695	L	91	Very high	92.8	Very high	38 Å²	38	21.1 Å²	21.1	20%	0.199	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133.3	178.7	-62.3	178.9	0	0	0	110.8	A649 V658 I700	A649-L695 HydrophobicContact CB-CD1 3.82Å; A649-L695 HydrophobicContact CB-CG 3.79Å; V658-L695 HydrophobicContact CB-CD2 4.31Å; V658-L695 HydrophobicContact CG2-CD1 4.41Å; V658-L695 HydrophobicContact CG2-CD2 3.85Å; L695-I700 HydrophobicContact CD2-CB 4.28Å; L695-I700 HydrophobicContact CD2-CG1 3.68Å; L695-I700 HydrophobicContact CD2-CG2 4.34Å
696	T	89	Confident	92.7	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.043	10%	0.097	C	C	.	.			trans	-105.9	-175.9	160.2	61.9	0	0	0	0	109	N698 F699 I701 K714 E742	T696-N698 VanDerWaalsContact C-N 3.3Å; T696-N698 PolarHBondContact O-N 2.83Å; T696-F699 PolarHBondContact N-O 3.42Å; T696-F699 VanDerWaalsContact OG1-CB 3.3Å; T696-F699 WeakPolarHBondContact OG1-CB 3.42Å; T696-F699 WeakPolarHBondContact OG1-CD2 3.44Å; T696-F699 PolarHBondContact OG1-N 3.23Å; T696-F699 PolarHBondContact OG1-O 2.9Å; T696-I701 HydrophobicContact CG2-CD1 3.92Å; T696-K714 PolarHBondContact O-NZ 2.75Å; T696-E742 WeakPolarHBondContact CA-OE1 3.32Å; T696-E742 VanDerWaalsContact CB-OE1 3.23Å; T696-E742 WeakPolarHBondContact CB-OE1 3.45Å
697	R	86.3	Confident	92.6	Very high	49 Å²	49	18.6 Å²	18.6	19%	0.185	10%	0.097	C	C	.	.	S	Bend	trans	-49.9	-50.9	171.1	171.5	165.2	38.1	-126.9	-5.6	111.5	A153 G154 L155 D262 K714 E742	A153-R697 WeakPolarHBondContact O-CD 3.46Å; G154-R697 PolarHBondContact O-NH1 2.88Å; G154-R697 VanDerWaalsContact O-NH1 3.08Å; L155-R697 VanDerWaalsContact CD2-NH2 3.31Å; D262-R697 IonicContact OD1-CZ 3.39Å; D262-R697 IonicContact OD1-NH2 3.99Å; D262-R697 PolarHBondContact OD1-NH2 3.44Å; D262-R697 IonicContact OD2-NH2 3.11Å; R697-K714 WeakPolarHBondContact O-CD 3.19Å; R697-K714 PolarHBondContact O-NZ 2.89Å; R697-E742 IonicContact CZ-OE2 3.79Å; R697-E742 PolarHBondContact N-OE1 2.82Å; R697-E742 IonicContact NE-OE2 2.88Å; R697-E742 IonicContact NH2-OE2 3.63Å; R697-E742 PolarHBondContact NH2-OE2 3.26Å
698	N	89.1	Confident	92.6	Very high	54 Å²	54	13.2 Å²	13.2	29%	0.289	7%	0.072	S	C	.	.	S	Bend	trans	-110	-13	-170.2	-69.2	-44.7	0	0	0	115.7	Q266 T696 K714	Q266-N698 VanDerWaalsContact CD-ND2 3.35Å; Q266-N698 PolarHBondContact OE1-ND2 3.28Å; T696-N698 VanDerWaalsContact C-N 3.3Å; T696-N698 PolarHBondContact O-N 2.83Å; N698-K714 WeakPolarHBondContact O-CB 3.16Å; N698-K714 PolarHBondContact O-N 2.88Å
699	F	94.1	Very high	92.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.2	-170.1	-48.7	-68.8	0	0	0	113.9	Q266 W269 R270 T696 L711 W712 I720	Q266-F699 VanDerWaalsContact OE1-CE2 3.26Å; W269-F699 HydrophobicContact CB-CD2 4.22Å; W269-F699 HydrophobicContact CB-CE2 3.49Å; W269-F699 VanDerWaalsContact CB-CE2 3.49Å; W269-F699 HydrophobicContact CB-CZ 3.77Å; W269-F699 HydrophobicContact CD2-CD2 4.46Å; W269-F699 HydrophobicContact CD2-CE2 4.45Å; W269-F699 HydrophobicContact CG-CD2 4.24Å; W269-F699 AromaticContact CG-CE2 3.77Å; W269-F699 HydrophobicContact CG-CE2 3.77Å; R270-F699 HydrophobicContact CG-CE1 3.56Å; R270-F699 HydrophobicContact CG-CZ 3.69Å; R270-F699 VanDerWaalsContact NH1-CZ 3.25Å; T696-F699 PolarHBondContact N-O 3.42Å; T696-F699 VanDerWaalsContact OG1-CB 3.3Å; T696-F699 WeakPolarHBondContact OG1-CB 3.42Å; T696-F699 WeakPolarHBondContact OG1-CD2 3.44Å; T696-F699 PolarHBondContact OG1-N 3.23Å; T696-F699 PolarHBondContact OG1-O 2.9Å; F699-L711 HydrophobicContact CB-CD1 3.51Å; F699-L711 HydrophobicContact CB-CG 4.41Å; F699-L711 HydrophobicContact CD1-CD1 3.92Å; F699-L711 HydrophobicContact CD1-CD2 4.12Å; F699-L711 HydrophobicContact CD1-CG 4.07Å; F699-L711 HydrophobicContact CD2-CD1 4.15Å; F699-L711 HydrophobicContact CE1-CD2 4.18Å; F699-L711 HydrophobicContact CG-CD1 3.61Å; F699-L711 HydrophobicContact CG-CD2 4.49Å; F699-L711 HydrophobicContact CG-CG 4.28Å; F699-W712 WeakPolarHBondContact CA-O 3.29Å; F699-I720 HydrophobicContact CD1-CD1 3.62Å; F699-I720 HydrophobicContact CE1-CD1 3.65Å
700	I	96.3	Very high	92.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132	159.3	-55.8	168.6	0	0	0	105.9	V658 V668 L680 V693 L695 W712 K714	V658-I700 HydrophobicContact CG1-CD1 4.31Å; V658-I700 HydrophobicContact CG1-CG2 3.97Å; V658-I700 HydrophobicContact CG2-CD1 4Å; V658-I700 HydrophobicContact CG2-CG1 4.39Å; V668-I700 HydrophobicContact CG2-CD1 3.51Å; L680-I700 HydrophobicContact CD1-CB 4.34Å; L680-I700 HydrophobicContact CD1-CD1 3.84Å; L680-I700 HydrophobicContact CD1-CG2 4.03Å; V693-I700 HydrophobicContact CG2-CG2 3.62Å; L695-I700 HydrophobicContact CD2-CB 4.28Å; L695-I700 HydrophobicContact CD2-CG1 3.68Å; L695-I700 HydrophobicContact CD2-CG2 4.34Å; I700-W712 HydrophobicContact CB-CB 4.24Å; I700-W712 PolarHBondContact N-O 3.05Å; I700-W712 PolarHBondContact O-N 2.95Å; I700-K714 HydrophobicContact CG1-CB 4.14Å; I700-K714 HydrophobicContact CG1-CG 4.08Å
701	I	96.3	Very high	93	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128	177.2	-53.9	159	0	0	0	106.7	W269 V693 Q694 T696 V709 K710 L711 L723 I738 A740 L745	W269-I701 HydrophobicContact CE3-CD1 4.4Å; W269-I701 HydrophobicContact CH2-CD1 3.46Å; W269-I701 VanDerWaalsContact CH2-CD1 3.46Å; W269-I701 HydrophobicContact CZ2-CD1 4.48Å; W269-I701 HydrophobicContact CZ3-CD1 3.42Å; W269-I701 VanDerWaalsContact CZ3-CD1 3.42Å; W269-I701 HydrophobicContact CZ3-CG1 4.08Å; V693-I701 CarbonylContact C-O 3.58Å; V693-I701 WeakPolarHBondContact CA-O 3.35Å; Q694-I701 HydrophobicContact CB-CB 4.45Å; Q694-I701 PolarHBondContact N-O 2.96Å; Q694-I701 PolarHBondContact O-N 2.75Å; T696-I701 HydrophobicContact CG2-CD1 3.92Å; I701-V709 HydrophobicContact CG2-CG1 3.64Å; I701-K710 WeakPolarHBondContact CA-O 3.26Å; I701-L711 HydrophobicContact CG1-CD1 3.79Å; I701-L723 HydrophobicContact CG2-CD1 3.92Å; I701-I738 HydrophobicContact CB-CD1 4.19Å; I701-I738 HydrophobicContact CG2-CD1 3.64Å; I701-A740 HydrophobicContact CD1-CB 3.49Å; I701-A740 VanDerWaalsContact CD1-CB 3.49Å; I701-L745 HydrophobicContact CG2-CD1 4.3Å; I701-L745 HydrophobicContact CG2-CD2 4.22Å
702	S	96.4	Very high	93.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	147.2	-178	63	0	0	0	0	111.7	I666 H686 C692 V709 K710 W712	I666-S702 VanDerWaalsContact CD1-CB 3.42Å; I666-S702 WeakPolarHBondContact CD1-OG 3.22Å; H686-S702 PolarHBondContact NE2-OG 2.81Å; C692-S702 WeakPolarHBondContact O-CA 3.49Å; S702-V709 CarbonylContact O-C 3.46Å; S702-V709 VanDerWaalsContact O-CA 3.23Å; S702-V709 WeakPolarHBondContact O-CA 3.28Å; S702-V709 WeakPolarHBondContact O-CG1 3.39Å; S702-K710 PolarHBondContact N-O 3Å; S702-K710 PolarHBondContact O-N 2.68Å; S702-W712 PolarHBondContact OG-NE1 3.48Å
703	S	94.8	Very high	93.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	159	173.3	64.5	0	0	0	0	111.9	V690 T691 C692 T708 I735	V690-S703 CarbonylContact C-O 3.53Å; V690-S703 WeakPolarHBondContact CA-O 3.5Å; V690-S703 WeakPolarHBondContact CG1-O 3.46Å; T691-S703 PolarHBondContact N-O 2.84Å; T691-S703 VanDerWaalsContact OG1-C 3.29Å; T691-S703 PolarHBondContact OG1-O 3.26Å; T691-S703 PolarHBondContact OG1-OG 3.23Å; C692-S703 WeakPolarHBondContact CB-OG 3.18Å; C692-S703 PolarHBondContact O-N 2.97Å; S703-T708 WeakPolarHBondContact CA-O 3.31Å; S703-I735 VanDerWaalsContact CB-CG2 3.44Å
704	G	92.1	Very high	93.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	169.3	179.2	0	0	0	0	0	116.2	A689 D706 G707 T708 I735	A689-G704 CarbonylContact O-C 3.55Å; A689-G704 WeakPolarHBondContact O-CA 3.47Å; G704-D706 PolarHBondContact O-N 2.77Å; G704-G707 PolarHBondContact O-N 3.38Å; G704-G707 VanDerWaalsContact O-N 3.08Å; G704-T708 PolarHBondContact N-O 3.27Å; G704-I735 PolarHBondContact O-N 3.46Å
705	D	92.1	Very high	93.4	Very high	30 Å²	30	18.2 Å²	18.2	16%	0.16	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-10	172.7	-81.4	-29.4	0	0	0	112.8	A689 G707 V734	A689-D705 PolarHBondContact O-N 3.28Å; D705-G707 PolarHBondContact O-N 3.23Å; D705-V734 HydrophobicContact CB-CG2 4.4Å; D705-V734 WeakPolarHBondContact OD1-CG1 3.24Å
706	D	92.4	Very high	93.5	Very high	14 Å²	14	19.6 Å²	19.6	8%	0.075	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.3	168.9	66.3	9.6	0	0	0	113.8	H686 Q687 G704 T708 A729 G730	H686-D706 WeakPolarHBondContact CA-OD2 3.39Å; H686-D706 WeakPolarHBondContact CB-OD2 3.3Å; H686-D706 IonicContact CE1-OD1 3.96Å; H686-D706 IonicContact CG-OD2 3.53Å; H686-D706 IonicContact ND1-OD1 3.88Å; H686-D706 PolarHBondContact ND1-OD1 3.38Å; H686-D706 IonicContact ND1-OD2 3.27Å; H686-D706 PolarHBondContact ND1-OD2 3.33Å; Q687-D706 HydrophobicContact CB-CB 4.11Å; Q687-D706 PolarHBondContact N-OD2 3.1Å; G704-D706 PolarHBondContact O-N 2.77Å; D706-T708 VanDerWaalsContact CG-OG1 3.3Å; D706-T708 WeakPolarHBondContact OD1-CB 3.27Å; D706-T708 PolarHBondContact OD1-N 2.68Å; D706-T708 PolarHBondContact OD1-OG1 3.49Å; D706-T708 PolarHBondContact OD2-OG1 3.29Å; D706-A729 WeakPolarHBondContact O-CA 3.31Å; D706-A729 VanDerWaalsContact O-CB 3.27Å; D706-A729 WeakPolarHBondContact O-CB 3.38Å; D706-G730 PolarHBondContact O-N 3.33Å
707	G	92.7	Very high	93.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	79	23.4	179	0	0	0	0	0	113.8	G704 D705 L726 G733	G704-G707 PolarHBondContact O-N 3.38Å; G704-G707 VanDerWaalsContact O-N 3.08Å; D705-G707 PolarHBondContact O-N 3.23Å; G707-L726 WeakPolarHBondContact O-CG 3.49Å; G707-L726 PolarHBondContact O-N 3.42Å; G707-G733 VanDerWaalsContact CA-O 3.23Å; G707-G733 WeakPolarHBondContact CA-O 3.35Å; G707-G733 PolarHBondContact N-O 3.01Å
708	T	94.9	Very high	94.1	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.025	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	154.7	177.6	69.5	0	0	0	0	113.1	H686 S703 G704 D706 K710 L724 R725	H686-T708 PolarHBondContact CE1-OG1 3.3Å; H686-T708 VanDerWaalsContact CE1-OG1 3.29Å; H686-T708 PolarHBondContact ND1-OG1 2.83Å; S703-T708 WeakPolarHBondContact CA-O 3.31Å; G704-T708 PolarHBondContact N-O 3.27Å; D706-T708 VanDerWaalsContact CG-OG1 3.3Å; D706-T708 WeakPolarHBondContact OD1-CB 3.27Å; D706-T708 PolarHBondContact OD1-N 2.68Å; D706-T708 PolarHBondContact OD1-OG1 3.49Å; D706-T708 PolarHBondContact OD2-OG1 3.29Å; T708-K710 WeakPolarHBondContact OG1-CE 3.46Å; T708-L724 CarbonylContact C-O 3.45Å; T708-L724 VanDerWaalsContact CA-O 3.29Å; T708-L724 WeakPolarHBondContact CA-O 3.43Å; T708-R725 HydrophobicContact CG2-CB 4.45Å; T708-R725 HydrophobicContact CG2-CG 4.13Å
709	V	95.7	Very high	94.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127	160.8	-172	0	0	0	0	108.4	I701 S702 D722 L723 L724 I735 I738 L745	I701-V709 HydrophobicContact CG2-CG1 3.64Å; S702-V709 CarbonylContact O-C 3.46Å; S702-V709 VanDerWaalsContact O-CA 3.23Å; S702-V709 WeakPolarHBondContact O-CA 3.28Å; S702-V709 WeakPolarHBondContact O-CG1 3.39Å; V709-D722 CarbonylContact O-C 3.6Å; V709-L723 HydrophobicContact CB-CB 4.44Å; V709-L723 HydrophobicContact CG1-CB 4.47Å; V709-L723 HydrophobicContact CG1-CD1 4.34Å; V709-L723 PolarHBondContact O-N 3.29Å; V709-L724 HydrophobicContact CB-CB 4.06Å; V709-L724 HydrophobicContact CG2-CB 4.05Å; V709-L724 HydrophobicContact CG2-CD2 4.19Å; V709-L724 PolarHBondContact N-O 3.37Å; V709-L724 PolarHBondContact O-N 3.35Å; V709-I735 HydrophobicContact CG2-CB 4.33Å; V709-I735 HydrophobicContact CG2-CD1 4.22Å; V709-I735 HydrophobicContact CG2-CG1 3.85Å; V709-I735 HydrophobicContact CG2-CG2 3.9Å; V709-I738 HydrophobicContact CG1-CD1 4.38Å; V709-I738 HydrophobicContact CG1-CG2 4.37Å; V709-I738 HydrophobicContact CG2-CG2 4.12Å; V709-L745 HydrophobicContact CG1-CD2 3.97Å
710	K	95.7	Very high	94.4	Very high	10 Å²	10	20.3 Å²	20.3	4%	0.043	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.8	-172.2	-56.4	-171.2	172.3	-74.3	0	111.2	H684 I701 S702 T708 W712 D722	H684-K710 WeakPolarHBondContact O-CD 3.33Å; H684-K710 WeakPolarHBondContact O-CE 3.2Å; H684-K710 PolarHBondContact O-NZ 2.79Å; I701-K710 WeakPolarHBondContact CA-O 3.26Å; S702-K710 PolarHBondContact N-O 3Å; S702-K710 PolarHBondContact O-N 2.68Å; T708-K710 WeakPolarHBondContact OG1-CE 3.46Å; K710-W712 HydrophobicContact CB-CZ2 4.09Å; K710-W712 HydrophobicContact CD-CH2 4.5Å; K710-W712 HydrophobicContact CD-CZ2 3.75Å; K710-D722 WeakPolarHBondContact CG-OD1 3.35Å; K710-D722 IonicContact NZ-OD1 2.85Å; K710-D722 PolarHBondContact NZ-OD1 3.35Å; K710-D722 IonicContact NZ-OD2 3.87Å
711	L	96.2	Very high	94.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.2	173.8	-171.4	72.7	0	0	0	110	W269 F699 I701 I720 R721 L723	W269-L711 HydrophobicContact CB-CD2 4.27Å; W269-L711 HydrophobicContact CE3-CD1 3.93Å; W269-L711 HydrophobicContact CZ3-CD1 4.37Å; W269-L711 VanDerWaalsContact O-CD2 3.25Å; W269-L711 WeakPolarHBondContact O-CD2 3.19Å; F699-L711 HydrophobicContact CB-CD1 3.51Å; F699-L711 HydrophobicContact CB-CG 4.41Å; F699-L711 HydrophobicContact CD1-CD1 3.92Å; F699-L711 HydrophobicContact CD1-CD2 4.12Å; F699-L711 HydrophobicContact CD1-CG 4.07Å; F699-L711 HydrophobicContact CD2-CD1 4.15Å; F699-L711 HydrophobicContact CE1-CD2 4.18Å; F699-L711 HydrophobicContact CG-CD1 3.61Å; F699-L711 HydrophobicContact CG-CD2 4.49Å; F699-L711 HydrophobicContact CG-CG 4.28Å; I701-L711 HydrophobicContact CG1-CD1 3.79Å; L711-I720 HydrophobicContact CB-CB 4.38Å; L711-I720 HydrophobicContact CD2-CB 4.17Å; L711-I720 HydrophobicContact CD2-CD1 3.88Å; L711-I720 HydrophobicContact CD2-CG2 4.03Å; L711-I720 HydrophobicContact CG-CB 4.3Å; L711-I720 HydrophobicContact CG-CD1 3.91Å; L711-I720 WeakPolarHBondContact O-CB 3.39Å; L711-I720 PolarHBondContact O-N 2.7Å; L711-R721 PolarHBondContact N-O 3.4Å; L711-R721 PolarHBondContact O-N 2.91Å; L711-L723 HydrophobicContact CB-CD1 4.11Å; L711-L723 HydrophobicContact CB-CD2 4.02Å; L711-L723 HydrophobicContact CB-CG 3.88Å; L711-L723 HydrophobicContact CD1-CD1 4.2Å; L711-L723 HydrophobicContact CD2-CD2 4.24Å
712	W	96.4	Very high	93.9	Very high	2 Å²	2	23 Å²	23	1%	0.008	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.6	177.5	-42.8	80.6	0	0	0	110.2	I666 L680 F699 I700 S702 K710 K714 A718 Y719	I666-W712 HydrophobicContact CD1-CZ2 4.37Å; L680-W712 HydrophobicContact CB-CD2 3.92Å; L680-W712 HydrophobicContact CB-CE3 3.74Å; L680-W712 HydrophobicContact CB-CH2 4.07Å; L680-W712 HydrophobicContact CB-CZ2 4.21Å; L680-W712 HydrophobicContact CB-CZ3 3.81Å; L680-W712 HydrophobicContact CD1-CB 4.05Å; L680-W712 HydrophobicContact CD1-CD2 3.93Å; L680-W712 HydrophobicContact CD1-CE3 4.41Å; L680-W712 HydrophobicContact CD1-CG 3.74Å; L680-W712 HydrophobicContact CD2-CE3 4.38Å; L680-W712 HydrophobicContact CG-CD2 4.38Å; L680-W712 HydrophobicContact CG-CE3 4.39Å; F699-W712 WeakPolarHBondContact CA-O 3.29Å; I700-W712 HydrophobicContact CB-CB 4.24Å; I700-W712 PolarHBondContact N-O 3.05Å; I700-W712 PolarHBondContact O-N 2.95Å; S702-W712 PolarHBondContact OG-NE1 3.48Å; K710-W712 HydrophobicContact CB-CZ2 4.09Å; K710-W712 HydrophobicContact CD-CH2 4.5Å; K710-W712 HydrophobicContact CD-CZ2 3.75Å; W712-K714 PolarHBondContact O-N 2.68Å; W712-A718 CarbonylContact C-O 3.59Å; W712-A718 WeakPolarHBondContact CA-O 3.31Å; W712-Y719 VanDerWaalsContact CE3-CA 3.49Å; W712-Y719 HydrophobicContact CE3-CD2 4.41Å; W712-Y719 HydrophobicContact CH2-CD2 4.3Å; W712-Y719 HydrophobicContact CZ3-CD2 4.23Å; W712-Y719 HydrophobicContact CZ3-CG 4.44Å
713	D	94.3	Very high	93.7	Very high	28 Å²	28	23.2 Å²	23.2	15%	0.15	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	117.7	173.7	-174.8	-93	0	0	0	109.3	R270 Q715 S716 G717 A718 I720	R270-D713 IonicContact CZ-OD2 3.65Å; R270-D713 IonicContact NH2-OD2 3.61Å; R270-D713 PolarHBondContact NH2-OD2 3.1Å; D713-Q715 VanDerWaalsContact C-N 3.26Å; D713-Q715 PolarHBondContact O-N 2.81Å; D713-Q715 PolarHBondContact OD1-N 2.58Å; D713-S716 VanDerWaalsContact CB-OG 3.32Å; D713-S716 WeakPolarHBondContact CB-OG 3.5Å; D713-S716 VanDerWaalsContact CG-OG 3.29Å; D713-S716 WeakPolarHBondContact OD1-CB 3.45Å; D713-S716 PolarHBondContact OD1-N 3.37Å; D713-S716 PolarHBondContact OD1-OG 2.92Å; D713-G717 WeakPolarHBondContact O-CA 3.43Å; D713-G717 PolarHBondContact O-N 3.36Å; D713-A718 PolarHBondContact N-O 3.29Å; D713-I720 HydrophobicContact CB-CD1 3.85Å; D713-I720 HydrophobicContact CB-CG1 4.11Å
714	K	93.1	Very high	93.6	Very high	14 Å²	14	23.3 Å²	23.3	6%	0.061	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.9	-171.1	-174	-176.2	178.7	-177.1	0	113.1	I656 T696 R697 N698 I700 W712	I656-K714 HydrophobicContact CD1-CD 4.34Å; I656-K714 HydrophobicContact CD1-CG 3.73Å; T696-K714 PolarHBondContact O-NZ 2.75Å; R697-K714 WeakPolarHBondContact O-CD 3.19Å; R697-K714 PolarHBondContact O-NZ 2.89Å; N698-K714 WeakPolarHBondContact O-CB 3.16Å; N698-K714 PolarHBondContact O-N 2.88Å; I700-K714 HydrophobicContact CG1-CB 4.14Å; I700-K714 HydrophobicContact CG1-CG 4.08Å; W712-K714 PolarHBondContact O-N 2.68Å
715	Q	91.8	Very high	93.6	Very high	133 Å²	133	28.8 Å²	28.8	62%	0.621	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-47.9	-177.8	-175.9	62.5	33.9	0	0	111.7	H678 D713	H678-Q715 PolarHBondContact NE2-O 3.47Å; D713-Q715 VanDerWaalsContact C-N 3.26Å; D713-Q715 PolarHBondContact O-N 2.81Å; D713-Q715 PolarHBondContact OD1-N 2.58Å
716	S	93.3	Very high	93.6	Very high	67 Å²	67	27.4 Å²	27.4	47%	0.469	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.1	-174.3	60.6	0	0	0	0	114.7	H678 D713 A718	H678-S716 PolarHBondContact CE1-O 3.46Å; D713-S716 VanDerWaalsContact CB-OG 3.32Å; D713-S716 WeakPolarHBondContact CB-OG 3.5Å; D713-S716 VanDerWaalsContact CG-OG 3.29Å; D713-S716 WeakPolarHBondContact OD1-CB 3.45Å; D713-S716 PolarHBondContact OD1-N 3.37Å; D713-S716 PolarHBondContact OD1-OG 2.92Å; S716-A718 PolarHBondContact O-N 2.96Å
717	G	93.6	Very high	93.4	Very high	13 Å²	13	28.9 Å²	28.9	13%	0.134	15%	0.15	C	C	.	.			trans	69.6	4	-174	0	0	0	0	0	113.8	H678 L680 D713	H678-G717 PolarHBondContact NE2-N 3.2Å; L680-G717 WeakPolarHBondContact CD2-O 3.49Å; D713-G717 WeakPolarHBondContact O-CA 3.43Å; D713-G717 PolarHBondContact O-N 3.36Å
718	A	94.7	Very high	93.2	Very high	47 Å²	47	29 Å²	29	39%	0.388	15%	0.151	S	C	.	.			trans	-72	136.6	-177.8	0	0	0	0	0	111.1	W712 D713 S716 I720	W712-A718 CarbonylContact C-O 3.59Å; W712-A718 WeakPolarHBondContact CA-O 3.31Å; D713-A718 PolarHBondContact N-O 3.29Å; S716-A718 PolarHBondContact O-N 2.96Å; A718-I720 PolarHBondContact O-N 3.39Å
719	Y	95.9	Very high	92.8	Very high	33 Å²	33	29.5 Å²	29.5	13%	0.129	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131.5	162.5	171.1	-98.4	0	0	0	109.4	H684 W712 R721 D722 Y795	H684-Y719 HydrophobicContact CB-CD1 3.7Å; H684-Y719 HydrophobicContact CB-CD2 3.46Å; H684-Y719 VanDerWaalsContact CB-CD2 3.46Å; H684-Y719 HydrophobicContact CB-CE1 3.87Å; H684-Y719 HydrophobicContact CB-CE2 3.62Å; H684-Y719 HydrophobicContact CB-CG 3.47Å; H684-Y719 VanDerWaalsContact CB-CG 3.47Å; H684-Y719 AromaticContact CD2-CD1 3.45Å; H684-Y719 VanDerWaalsContact CD2-CD1 3.45Å; H684-Y719 WeakPolarHBondContact CD2-CD1 3.41Å; H684-Y719 AromaticContact CD2-CE1 3.77Å; H684-Y719 AromaticContact CD2-CG 3.98Å; H684-Y719 AromaticContact CE1-CE1 3.88Å; H684-Y719 AromaticContact CG-CD1 3.44Å; H684-Y719 VanDerWaalsContact CG-CD1 3.44Å; H684-Y719 AromaticContact CG-CE1 3.44Å; H684-Y719 VanDerWaalsContact CG-CE1 3.44Å; H684-Y719 AromaticContact CG-CG 3.78Å; H684-Y719 AromaticContact CG-CZ 3.78Å; H684-Y719 AromaticContact ND1-CE1 3.52Å; H684-Y719 AromaticContact ND1-CZ 3.76Å; W712-Y719 VanDerWaalsContact CE3-CA 3.49Å; W712-Y719 HydrophobicContact CE3-CD2 4.41Å; W712-Y719 HydrophobicContact CH2-CD2 4.3Å; W712-Y719 HydrophobicContact CZ3-CD2 4.23Å; W712-Y719 HydrophobicContact CZ3-CG 4.44Å; Y719-R721 VanDerWaalsContact CZ-C 3.49Å; Y719-R721 VanDerWaalsContact CZ-CA 3.44Å; Y719-R721 VanDerWaalsContact OH-C 3.31Å; Y719-R721 WeakPolarHBondContact OH-CA 3.47Å; Y719-D722 PolarHBondContact OH-N 3.4Å; Y719-D722 PolarHBondContact OH-OD1 3.04Å; Y719-Y795 HydrophobicContact CD1-CE1 4.18Å; Y719-Y795 AromaticContact CE1-CE1 3.96Å; Y719-Y795 HydrophobicContact CE1-CE1 3.96Å
720	I	93.5	Very high	92.3	Very high	32 Å²	32	32.9 Å²	32.9	16%	0.164	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-63.4	172	-62.4	163.3	0	0	0	109	R270 F699 L711 D713 A718	R270-I720 HydrophobicContact CB-CG2 4.42Å; R270-I720 HydrophobicContact CG-CD1 4.23Å; R270-I720 HydrophobicContact CG-CG2 4.4Å; R270-I720 WeakPolarHBondContact O-CG2 3.46Å; F699-I720 HydrophobicContact CD1-CD1 3.62Å; F699-I720 HydrophobicContact CE1-CD1 3.65Å; L711-I720 HydrophobicContact CB-CB 4.38Å; L711-I720 HydrophobicContact CD2-CB 4.17Å; L711-I720 HydrophobicContact CD2-CD1 3.88Å; L711-I720 HydrophobicContact CD2-CG2 4.03Å; L711-I720 HydrophobicContact CG-CB 4.3Å; L711-I720 HydrophobicContact CG-CD1 3.91Å; L711-I720 WeakPolarHBondContact O-CB 3.39Å; L711-I720 PolarHBondContact O-N 2.7Å; D713-I720 HydrophobicContact CB-CD1 3.85Å; D713-I720 HydrophobicContact CB-CG1 4.11Å; A718-I720 PolarHBondContact O-N 3.39Å
721	R	91.4	Very high	92	Very high	37 Å²	37	40.1 Å²	40.1	14%	0.14	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.7	166.9	-172	92.4	-174.2	-158	93.7	12	113.8	W269 L711 Y719 L723 E798	W269-R721 PolarHBondContact O-NE 3.09Å; L711-R721 PolarHBondContact N-O 3.4Å; L711-R721 PolarHBondContact O-N 2.91Å; Y719-R721 VanDerWaalsContact CZ-C 3.49Å; Y719-R721 VanDerWaalsContact CZ-CA 3.44Å; Y719-R721 VanDerWaalsContact OH-C 3.31Å; Y719-R721 WeakPolarHBondContact OH-CA 3.47Å; R721-L723 HydrophobicContact CG-CD2 4.19Å; R721-E798 VanDerWaalsContact CB-OE1 3.24Å; R721-E798 WeakPolarHBondContact CB-OE1 3.36Å; R721-E798 WeakPolarHBondContact CB-OE2 3.47Å; R721-E798 WeakPolarHBondContact CD-OE1 3.37Å; R721-E798 WeakPolarHBondContact CG-OE1 3.06Å; R721-E798 IonicContact CZ-OE1 3.77Å; R721-E798 IonicContact NE-OE1 2.72Å; R721-E798 IonicContact NH1-OE1 2.72Å; R721-E798 PolarHBondContact NH1-OE1 2.92Å
722	D	91.8	Very high	91.5	Very high	18 Å²	18	41.5 Å²	41.5	10%	0.096	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.3	167	-76.3	-7.7	0	0	0	107.9	V709 K710 Y719 L724 E798	V709-D722 CarbonylContact O-C 3.6Å; K710-D722 WeakPolarHBondContact CG-OD1 3.35Å; K710-D722 IonicContact NZ-OD1 2.85Å; K710-D722 PolarHBondContact NZ-OD1 3.35Å; K710-D722 IonicContact NZ-OD2 3.87Å; Y719-D722 PolarHBondContact OH-N 3.4Å; Y719-D722 PolarHBondContact OH-OD1 3.04Å; D722-L724 VanDerWaalsContact C-N 3.35Å; D722-E798 PolarHBondContact N-OE2 2.9Å
723	L	92	Very high	91.3	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-33.7	176.7	-64.5	177.1	0	0	0	112.1	W269 I701 V709 L711 R721 L745 L763 F765	W269-L723 HydrophobicContact CE3-CD1 4.08Å; W269-L723 HydrophobicContact CE3-CD2 4.34Å; W269-L723 HydrophobicContact CZ3-CD1 3.72Å; I701-L723 HydrophobicContact CG2-CD1 3.92Å; V709-L723 HydrophobicContact CB-CB 4.44Å; V709-L723 HydrophobicContact CG1-CB 4.47Å; V709-L723 HydrophobicContact CG1-CD1 4.34Å; V709-L723 PolarHBondContact O-N 3.29Å; L711-L723 HydrophobicContact CB-CD1 4.11Å; L711-L723 HydrophobicContact CB-CD2 4.02Å; L711-L723 HydrophobicContact CB-CG 3.88Å; L711-L723 HydrophobicContact CD1-CD1 4.2Å; L711-L723 HydrophobicContact CD2-CD2 4.24Å; R721-L723 HydrophobicContact CG-CD2 4.19Å; L723-L745 HydrophobicContact CB-CD2 4.28Å; L723-L745 HydrophobicContact CD1-CD2 3.5Å; L723-L763 HydrophobicContact CB-CD1 4.27Å; L723-F765 HydrophobicContact CD2-CE1 4.38Å; L723-F765 HydrophobicContact CD2-CZ 4.17Å
724	L	91.7	Very high	91.2	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	137.6	-178.5	175.6	59.6	0	0	0	109.3	T708 V709 D722 I735 C747 V761 L801	T708-L724 CarbonylContact C-O 3.45Å; T708-L724 VanDerWaalsContact CA-O 3.29Å; T708-L724 WeakPolarHBondContact CA-O 3.43Å; V709-L724 HydrophobicContact CB-CB 4.06Å; V709-L724 HydrophobicContact CG2-CB 4.05Å; V709-L724 HydrophobicContact CG2-CD2 4.19Å; V709-L724 PolarHBondContact N-O 3.37Å; V709-L724 PolarHBondContact O-N 3.35Å; D722-L724 VanDerWaalsContact C-N 3.35Å; L724-I735 HydrophobicContact CD2-CD1 3.61Å; L724-I735 HydrophobicContact CG-CD1 4.37Å; L724-C747 HydrophobicContact CD2-CB 4.1Å; L724-V761 HydrophobicContact CD1-CG1 4.26Å; L724-V761 HydrophobicContact CD2-CB 4.06Å; L724-V761 HydrophobicContact CD2-CG1 4.06Å; L724-V761 HydrophobicContact CD2-CG2 4.22Å; L724-L801 HydrophobicContact CD1-CB 4.35Å; L724-L801 HydrophobicContact CD1-CD1 3.78Å; L724-L801 HydrophobicContact CD1-CD2 4.38Å; L724-L801 HydrophobicContact CD1-CG 4.4Å
725	R	92.6	Very high	91.2	Very high	115 Å²	115	39.8 Å²	39.8	43%	0.434	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	117	166.4	-177.2	165.9	-171.9	159.3	3.5	109.5	T708 A729 L801	T708-R725 HydrophobicContact CG2-CB 4.45Å; T708-R725 HydrophobicContact CG2-CG 4.13Å; R725-A729 HydrophobicContact CG-CB 3.94Å; R725-L801 PolarHBondContact O-N 2.78Å
726	L	92	Very high	91.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.			trans	-64.5	157.5	178.3	-64.3	176.8	0	0	0	111.6	G707 A729 V734 I735 A749 E756 L801	G707-L726 WeakPolarHBondContact O-CG 3.49Å; G707-L726 PolarHBondContact O-N 3.42Å; L726-A729 HydrophobicContact CB-CB 4.28Å; L726-A729 WeakPolarHBondContact O-CB 3.46Å; L726-A729 PolarHBondContact O-N 3.47Å; L726-V734 WeakPolarHBondContact CD1-O 3.43Å; L726-I735 HydrophobicContact CD1-CD1 3.69Å; L726-I735 HydrophobicContact CD1-CG1 4.15Å; L726-I735 HydrophobicContact CD2-CD1 3.95Å; L726-I735 HydrophobicContact CG-CD1 3.8Å; L726-I735 HydrophobicContact CG-CG1 4.47Å; L726-A749 HydrophobicContact CD1-CB 4.23Å; L726-A749 HydrophobicContact CD2-CB 4.01Å; L726-E756 HydrophobicContact CD1-CG 4.22Å; L726-E756 HydrophobicContact CD2-CG 4.46Å; L726-L801 HydrophobicContact CD2-CD2 4.25Å
727	D	89	Confident	91	Very high	45 Å²	45	31.2 Å²	31.2	24%	0.241	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-34.3	176.7	-76.5	-67.6	0	0	0	112.1	A729 E756 R800 S802	D727-A729 VanDerWaalsContact C-N 3.27Å; D727-A729 PolarHBondContact O-N 3.17Å; D727-E756 PolarHBondContact N-OE2 2.94Å; D727-R800 PolarHBondContact O-NH1 2.6Å; D727-R800 VanDerWaalsContact OD1-CB 3.25Å; D727-R800 WeakPolarHBondContact OD1-CB 3.46Å; D727-R800 VanDerWaalsContact OD1-CD 3.32Å; D727-R800 WeakPolarHBondContact OD1-CD 3.14Å; D727-S802 VanDerWaalsContact CG-OG 3.31Å; D727-S802 WeakPolarHBondContact OD1-CB 3.38Å; D727-S802 PolarHBondContact OD1-OG 2.85Å; D727-S802 WeakPolarHBondContact OD2-CB 3.49Å; D727-S802 PolarHBondContact OD2-N 3.37Å; D727-S802 PolarHBondContact OD2-OG 2.95Å
728	G	87	Confident	91	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.031	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	8.5	168.8	0	0	0	0	0	114.6	G730 R731 G732 G733 E756	G728-G730 PolarHBondContact O-N 3.39Å; G728-R731 CarbonylContact O-C 3.6Å; G728-R731 WeakPolarHBondContact O-CA 3.34Å; G728-R731 PolarHBondContact O-N 3.21Å; G728-G732 PolarHBondContact O-N 2.74Å; G728-G733 WeakPolarHBondContact O-CA 3.3Å; G728-G733 PolarHBondContact O-N 2.94Å; G728-E756 WeakPolarHBondContact CA-OE2 3.15Å; G728-E756 PolarHBondContact N-OE2 2.8Å
729	A	87.9	Confident	90.9	Very high	15 Å²	15	29.3 Å²	29.3	12%	0.124	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-54.8	126.4	175.6	0	0	0	0	0	111.4	D706 R725 L726 D727 R731	D706-A729 WeakPolarHBondContact O-CA 3.31Å; D706-A729 VanDerWaalsContact O-CB 3.27Å; D706-A729 WeakPolarHBondContact O-CB 3.38Å; R725-A729 HydrophobicContact CG-CB 3.94Å; L726-A729 HydrophobicContact CB-CB 4.28Å; L726-A729 WeakPolarHBondContact O-CB 3.46Å; L726-A729 PolarHBondContact O-N 3.47Å; D727-A729 VanDerWaalsContact C-N 3.27Å; D727-A729 PolarHBondContact O-N 3.17Å; A729-R731 PolarHBondContact O-N 3.03Å
730	G	85.5	Confident	90.6	Very high	71 Å²	71	28.8 Å²	28.8	73%	0.732	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	3.5	-172.6	0	0	0	0	0	115.5	D706 G728	D706-G730 PolarHBondContact O-N 3.33Å; G728-G730 PolarHBondContact O-N 3.39Å
731	R	87.5	Confident	90.4	Very high	161 Å²	161	29.7 Å²	29.7	61%	0.608	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.9	22.3	174.4	-60.6	-177.9	176.6	-177.5	-3	112.3	G728 A729 M755	G728-R731 CarbonylContact O-C 3.6Å; G728-R731 WeakPolarHBondContact O-CA 3.34Å; G728-R731 PolarHBondContact O-N 3.21Å; A729-R731 PolarHBondContact O-N 3.03Å; R731-M755 HydrophobicContact CB-CE 4.17Å; R731-M755 WeakPolarHBondContact O-CB 3.45Å; R731-M755 WeakPolarHBondContact O-CG 3.29Å
732	G	86.6	Confident	90.1	Very high	30 Å²	30	29.5 Å²	29.5	31%	0.309	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	5.3	-179.4	0	0	0	0	0	115.4	G728 S751	G728-G732 PolarHBondContact O-N 2.74Å; G732-S751 WeakPolarHBondContact O-CA 3.3Å; G732-S751 WeakPolarHBondContact O-CB 3.48Å; G732-S751 PolarHBondContact O-OG 3.24Å
733	G	91.6	Very high	89.8	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-77.9	127.1	162.6	0	0	0	0	0	110.4	G707 G728	G707-G733 VanDerWaalsContact CA-O 3.23Å; G707-G733 WeakPolarHBondContact CA-O 3.35Å; G707-G733 PolarHBondContact N-O 3.01Å; G728-G733 WeakPolarHBondContact O-CA 3.3Å; G728-G733 PolarHBondContact O-N 2.94Å
734	V	92.9	Very high	89.6	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147	-167.6	170.3	0	0	0	0	110.3	D705 L726 W736 A749 G750	D705-V734 HydrophobicContact CB-CG2 4.4Å; D705-V734 WeakPolarHBondContact OD1-CG1 3.24Å; L726-V734 WeakPolarHBondContact CD1-O 3.43Å; V734-W736 HydrophobicContact CG1-CG 4.08Å; V734-A749 VanDerWaalsContact O-CA 3.31Å; V734-A749 WeakPolarHBondContact O-CA 3.39Å; V734-G750 PolarHBondContact N-O 3.27Å; V734-G750 PolarHBondContact O-N 3.12Å
735	I	94.1	Very high	89.7	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112.2	162.3	-52.1	-69.3	0	0	0	108.1	T691 S703 G704 V709 L724 L726 I738 C747 A748 A749	T691-I735 WeakPolarHBondContact CB-O 3.47Å; T691-I735 WeakPolarHBondContact CG2-O 3.22Å; T691-I735 PolarHBondContact OG1-O 3.39Å; S703-I735 VanDerWaalsContact CB-CG2 3.44Å; G704-I735 PolarHBondContact O-N 3.46Å; V709-I735 HydrophobicContact CG2-CB 4.33Å; V709-I735 HydrophobicContact CG2-CD1 4.22Å; V709-I735 HydrophobicContact CG2-CG1 3.85Å; V709-I735 HydrophobicContact CG2-CG2 3.9Å; L724-I735 HydrophobicContact CD2-CD1 3.61Å; L724-I735 HydrophobicContact CG-CD1 4.37Å; L726-I735 HydrophobicContact CD1-CD1 3.69Å; L726-I735 HydrophobicContact CD1-CG1 4.15Å; L726-I735 HydrophobicContact CD2-CD1 3.95Å; L726-I735 HydrophobicContact CG-CD1 3.8Å; L726-I735 HydrophobicContact CG-CG1 4.47Å; I735-I738 HydrophobicContact CG2-CG2 3.82Å; I735-C747 HydrophobicContact CG2-CB 4.26Å; I735-A748 CarbonylContact C-O 3.48Å; I735-A749 HydrophobicContact CD1-CB 3.68Å
736	W	89.3	Confident	89.7	Confident	16 Å²	16	27.8 Å²	27.8	6%	0.061	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-41	-174.2	-55.1	-58	0	0	0	113.2	V287 I288 T691 V734 A748 A749 G750 T758	V287-W736 HydrophobicContact CG1-CD2 4.37Å; V287-W736 HydrophobicContact CG1-CZ2 4.45Å; V287-W736 HydrophobicContact CG2-CZ2 4.29Å; I288-W736 HydrophobicContact CB-CE3 3.88Å; I288-W736 HydrophobicContact CB-CZ3 3.89Å; I288-W736 HydrophobicContact CD1-CZ3 4.35Å; I288-W736 HydrophobicContact CG1-CZ3 4.09Å; I288-W736 VanDerWaalsContact N-CZ3 3.34Å; T691-W736 WeakPolarHBondContact CB-O 3.43Å; V734-W736 HydrophobicContact CG1-CG 4.08Å; W736-A748 HydrophobicContact CE3-CB 4.38Å; W736-A748 PolarHBondContact N-O 3.27Å; W736-A749 WeakPolarHBondContact CZ3-O 3.49Å; W736-G750 VanDerWaalsContact CH2-CA 3.48Å; W736-T758 HydrophobicContact CH2-CG2 3.86Å; W736-T758 HydrophobicContact CZ3-CG2 3.78Å
737	R	89.7	Confident	89.9	Confident	5 Å²	5	27.8 Å²	27.8	2%	0.019	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.6	-179.4	-156.6	174	-169.3	-142.8	8.5	110.8	L291 E292 V401 T402 C692 A748	L291-R737 PolarHBondContact O-NH1 3.39Å; E292-R737 IonicContact OE1-CZ 2.83Å; E292-R737 IonicContact OE1-NH1 3.72Å; E292-R737 PolarHBondContact OE1-NH1 3.19Å; E292-R737 IonicContact OE1-NH2 3.96Å; V401-R737 VanDerWaalsContact C-NH2 3.29Å; V401-R737 PolarHBondContact O-NH2 2.91Å; T402-R737 VanDerWaalsContact CA-NH2 3.35Å; C692-R737 HydrophobicContact CB-CG 4.43Å; R737-A748 PolarHBondContact O-N 2.85Å
738	I	94.3	Very high	90.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.3	173	53.4	165.9	0	0	0	110.5	C692 Q694 I701 V709 I735 L745 I746 C747	C692-I738 HydrophobicContact CB-CG1 4.01Å; C692-I738 WeakPolarHBondContact SG-CG1 3.43Å; C692-I738 PolarHBondContact SG-N 3.21Å; C692-I738 VanDerWaalsContact SG-N 3.39Å; C692-I738 PolarHBondContact SG-O 3.25Å; C692-I738 VanDerWaalsContact SG-O 3.41Å; Q694-I738 HydrophobicContact CB-CD1 4.27Å; Q694-I738 HydrophobicContact CG-CD1 4Å; Q694-I738 HydrophobicContact CG-CG1 3.88Å; I701-I738 HydrophobicContact CB-CD1 4.19Å; I701-I738 HydrophobicContact CG2-CD1 3.64Å; V709-I738 HydrophobicContact CG1-CD1 4.38Å; V709-I738 HydrophobicContact CG1-CG2 4.37Å; V709-I738 HydrophobicContact CG2-CG2 4.12Å; I735-I738 HydrophobicContact CG2-CG2 3.82Å; I738-L745 HydrophobicContact CB-CD1 3.9Å; I738-L745 HydrophobicContact CG2-CD1 4.17Å; I738-I746 CarbonylContact C-O 3.55Å; I738-I746 VanDerWaalsContact CA-O 3.28Å; I738-I746 WeakPolarHBondContact CA-O 3.33Å; I738-C747 HydrophobicContact CG2-CB 4.08Å
739	V	92.3	Very high	90.5	Very high	20 Å²	20	25.5 Å²	25.5	12%	0.121	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.7	168.1	-179.3	0	0	0	0	107.9	L291 V293 I746	L291-V739 HydrophobicContact CD2-CG2 4.02Å; L291-V739 HydrophobicContact CG-CG2 3.91Å; V293-V739 HydrophobicContact CB-CG1 3.91Å; V293-V739 HydrophobicContact CG2-CB 3.89Å; V293-V739 HydrophobicContact CG2-CG1 3.71Å; V293-V739 HydrophobicContact CG2-CG2 4.34Å; V739-I746 PolarHBondContact N-O 3.31Å; V739-I746 PolarHBondContact O-N 3.24Å
740	A	91	Very high	90.7	Very high	21 Å²	21	24.8 Å²	24.8	17%	0.174	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.9	-176.8	0	0	0	0	0	112	Q694 I701 L745	Q694-A740 HydrophobicContact CB-CB 3.92Å; Q694-A740 HydrophobicContact CG-CB 4.37Å; I701-A740 HydrophobicContact CD1-CB 3.49Å; I701-A740 VanDerWaalsContact CD1-CB 3.49Å; A740-L745 HydrophobicContact CB-CD1 4.29Å
741	S	87.8	Confident	90.9	Very high	52 Å²	52	21.8 Å²	21.8	36%	0.364	11%	0.113	S	C	.	.			trans	-120.3	-177.4	165	62.2	0	0	0	0	108.6	W269 E743 R744	W269-S741 VanDerWaalsContact CZ2-O 3.3Å; W269-S741 WeakPolarHBondContact CZ2-O 3.37Å; S741-E743 PolarHBondContact O-N 2.97Å; S741-E743 PolarHBondContact OG-N 3.48Å; S741-R744 PolarHBondContact N-O 3.4Å; S741-R744 PolarHBondContact OG-N 2.79Å; S741-R744 PolarHBondContact OG-O 3.45Å; S741-R744 VanDerWaalsContact OG-O 3.09Å
742	E	85.6	Confident	90.6	Very high	33 Å²	33	16.5 Å²	16.5	15%	0.154	9%	0.093	C	C	.	.	S	Bend	trans	-67.6	-16.9	171.4	-65.1	-64.6	134.1	0	0	112.9	T158 T265 Q266 W269 T696 R697	T158-E742 HydrophobicContact CG2-CG 3.69Å; T265-E742 WeakPolarHBondContact CG2-O 3.24Å; Q266-E742 PolarHBondContact NE2-OE2 3.28Å; W269-E742 PolarHBondContact NE1-O 3.27Å; T696-E742 WeakPolarHBondContact CA-OE1 3.32Å; T696-E742 VanDerWaalsContact CB-OE1 3.23Å; T696-E742 WeakPolarHBondContact CB-OE1 3.45Å; R697-E742 IonicContact CZ-OE2 3.79Å; R697-E742 PolarHBondContact N-OE1 2.82Å; R697-E742 IonicContact NE-OE2 2.88Å; R697-E742 IonicContact NH2-OE2 3.63Å; R697-E742 PolarHBondContact NH2-OE2 3.26Å
743	E	85.2	Confident	90.4	Very high	71 Å²	71	20.2 Å²	20.2	33%	0.332	11%	0.105	S	C	.	.	S	Bend	trans	-119.9	-20	-168.1	-59.7	-174.9	157.4	0	0	113.8	T265 S741 F765 Q766	T265-E743 HydrophobicContact CG2-CG 4.43Å; S741-E743 PolarHBondContact O-N 2.97Å; S741-E743 PolarHBondContact OG-N 3.48Å; E743-F765 PolarHBondContact O-N 3.46Å; E743-Q766 HydrophobicContact CB-CB 3.97Å; E743-Q766 HydrophobicContact CG-CB 4.11Å; E743-Q766 HydrophobicContact CG-CG 4.5Å; E743-Q766 PolarHBondContact OE1-NE2 2.85Å; E743-Q766 PolarHBondContact OE2-NE2 3.12Å
744	R	88.8	Confident	90.1	Very high	29 Å²	29	22.7 Å²	22.7	11%	0.109	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	152.1	-173.8	-52.6	-174.6	-165.1	164.4	7.5	112.4	E296 I312 N313 S741 I746 L763 Q764	E296-R744 IonicContact OE1-NH2 3.26Å; E296-R744 IonicContact OE2-CZ 3.84Å; E296-R744 VanDerWaalsContact OE2-CZ 3.26Å; E296-R744 IonicContact OE2-NH1 2.86Å; E296-R744 PolarHBondContact OE2-NH1 2.84Å; E296-R744 IonicContact OE2-NH2 2.57Å; E296-R744 PolarHBondContact OE2-NH2 3.28Å; I312-R744 VanDerWaalsContact CG2-NH1 3.31Å; N313-R744 PolarHBondContact OD1-NH1 3.5Å; N313-R744 PolarHBondContact OD1-NH2 3.07Å; N313-R744 VanDerWaalsContact OD1-NH2 3.11Å; S741-R744 PolarHBondContact N-O 3.4Å; S741-R744 PolarHBondContact OG-N 2.79Å; S741-R744 PolarHBondContact OG-O 3.45Å; S741-R744 VanDerWaalsContact OG-O 3.09Å; R744-I746 HydrophobicContact CB-CD1 4.31Å; R744-L763 CarbonylContact C-O 3.55Å; R744-L763 WeakPolarHBondContact CA-O 3.44Å; R744-Q764 HydrophobicContact CG-CG 4.36Å
745	L	92.7	Very high	89.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.1	170.3	169.5	60.9	0	0	0	109.1	W269 I701 V709 L723 I738 A740 I762 L763 F765	W269-L745 HydrophobicContact CH2-CB 3.83Å; W269-L745 HydrophobicContact CZ3-CB 4.28Å; W269-L745 HydrophobicContact CZ3-CD2 4.41Å; I701-L745 HydrophobicContact CG2-CD1 4.3Å; I701-L745 HydrophobicContact CG2-CD2 4.22Å; V709-L745 HydrophobicContact CG1-CD2 3.97Å; L723-L745 HydrophobicContact CB-CD2 4.28Å; L723-L745 HydrophobicContact CD1-CD2 3.5Å; I738-L745 HydrophobicContact CB-CD1 3.9Å; I738-L745 HydrophobicContact CG2-CD1 4.17Å; A740-L745 HydrophobicContact CB-CD1 4.29Å; L745-I762 WeakPolarHBondContact O-CA 3.19Å; L745-L763 HydrophobicContact CB-CB 4.33Å; L745-L763 HydrophobicContact CD2-CD1 4.12Å; L745-L763 PolarHBondContact N-O 3.39Å; L745-L763 PolarHBondContact O-N 3.14Å; L745-F765 HydrophobicContact CB-CE2 4.04Å
746	I	94	Very high	89.5	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128	175.3	-56.3	77.6	0	0	0	107.7	L291 V293 A298 I312 I738 V739 R744 L760 I762	L291-I746 HydrophobicContact CD1-CG2 4.17Å; L291-I746 HydrophobicContact CD2-CG2 4.04Å; V293-I746 HydrophobicContact CG2-CD1 4.09Å; V293-I746 HydrophobicContact CG2-CG1 4.25Å; A298-I746 HydrophobicContact CB-CG2 4.42Å; I312-I746 HydrophobicContact CD1-CD1 4.44Å; I312-I746 HydrophobicContact CD1-CG1 4.43Å; I738-I746 CarbonylContact C-O 3.55Å; I738-I746 VanDerWaalsContact CA-O 3.28Å; I738-I746 WeakPolarHBondContact CA-O 3.33Å; V739-I746 PolarHBondContact N-O 3.31Å; V739-I746 PolarHBondContact O-N 3.24Å; R744-I746 HydrophobicContact CB-CD1 4.31Å; I746-L760 HydrophobicContact CG2-CD2 4.26Å; I746-I762 HydrophobicContact CG1-CG1 4.2Å; I746-I762 HydrophobicContact CG1-CG2 4.49Å; I746-I762 HydrophobicContact CG2-CG1 4.17Å
747	C	95	Very high	89.7	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.7	-178.7	-52.3	0	0	0	0	110.7	L724 I735 I738 L760 V761	L724-C747 HydrophobicContact CD2-CB 4.1Å; I735-C747 HydrophobicContact CG2-CB 4.26Å; I738-C747 HydrophobicContact CG2-CB 4.08Å; C747-L760 CarbonylContact O-C 3.59Å; C747-L760 WeakPolarHBondContact O-CA 3.15Å; C747-V761 HydrophobicContact CB-CB 4.32Å; C747-V761 PolarHBondContact N-O 2.89Å; C747-V761 PolarHBondContact O-N 2.6Å
748	A	94.1	Very high	89.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.1	166.7	0	0	0	0	0	110	I288 L291 I735 W736 R737 L760	I288-A748 HydrophobicContact CB-CB 3.95Å; I288-A748 HydrophobicContact CD1-CB 3.98Å; I288-A748 HydrophobicContact CG2-CB 3.69Å; L291-A748 HydrophobicContact CD2-CB 4.14Å; I735-A748 CarbonylContact C-O 3.48Å; W736-A748 HydrophobicContact CE3-CB 4.38Å; W736-A748 PolarHBondContact N-O 3.27Å; R737-A748 PolarHBondContact O-N 2.85Å; A748-L760 HydrophobicContact CB-CD2 4.21Å
749	A	94.2	Very high	89.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.5	-170.2	0	0	0	0	0	112.5	L726 V734 I735 W736 T758 K759	L726-A749 HydrophobicContact CD1-CB 4.23Å; L726-A749 HydrophobicContact CD2-CB 4.01Å; V734-A749 VanDerWaalsContact O-CA 3.31Å; V734-A749 WeakPolarHBondContact O-CA 3.39Å; I735-A749 HydrophobicContact CD1-CB 3.68Å; W736-A749 WeakPolarHBondContact CZ3-O 3.49Å; A749-T758 CarbonylContact O-C 3.59Å; A749-T758 WeakPolarHBondContact O-CA 3.34Å; A749-K759 HydrophobicContact CB-CG 4.16Å; A749-K759 PolarHBondContact N-O 3.2Å; A749-K759 PolarHBondContact O-N 2.78Å; A749-K759 VanDerWaalsContact O-O 3.13Å
750	G	92.4	Very high	90.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-159.7	174.1	0	0	0	0	0	112.9	V734 W736 E756	V734-G750 PolarHBondContact N-O 3.27Å; V734-G750 PolarHBondContact O-N 3.12Å; W736-G750 VanDerWaalsContact CH2-CA 3.48Å; G750-E756 CarbonylContact C-O 3.55Å
751	S	90.6	Very high	90.2	Very high	8 Å²	8	28.5 Å²	28.5	6%	0.056	16%	0.16	C	C	.	.			trans	-147	141.1	180	-175	0	0	0	0	112.2	G732 I753 E756	G732-S751 WeakPolarHBondContact O-CA 3.3Å; G732-S751 WeakPolarHBondContact O-CB 3.48Å; G732-S751 PolarHBondContact O-OG 3.24Å; S751-I753 PolarHBondContact O-N 3.28Å; S751-I753 VanDerWaalsContact OG-CG1 3.3Å; S751-I753 WeakPolarHBondContact OG-CG1 3.47Å; S751-I753 PolarHBondContact OG-N 2.74Å; S751-E756 VanDerWaalsContact CB-N 3.32Å; S751-E756 WeakPolarHBondContact CB-O 3.42Å; S751-E756 PolarHBondContact N-O 2.79Å
752	R	79.5	Confident	90.5	Very high	50 Å²	50	26.2 Å²	26.2	19%	0.189	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-8.3	173.6	-59.9	173.8	-172.8	90.9	35.7	113.9	V287 C406 Y407 K408	V287-R752 HydrophobicContact CG2-CG 4.46Å; C406-R752 VanDerWaalsContact CA-CZ 3.48Å; C406-R752 VanDerWaalsContact CA-NH2 3.3Å; C406-R752 VanDerWaalsContact CB-NH2 3.27Å; C406-R752 WeakPolarHBondContact O-CD 3.31Å; C406-R752 PolarHBondContact O-NE 3.22Å; C406-R752 PolarHBondContact SG-NH2 3Å; Y407-R752 VanDerWaalsContact O-CD 3.24Å; Y407-R752 WeakPolarHBondContact O-CD 3.41Å; Y407-R752 VanDerWaalsContact O-CZ 3.26Å; Y407-R752 PolarHBondContact O-NE 2.62Å; Y407-R752 PolarHBondContact O-NH1 3.35Å; K408-R752 HydrophobicContact CG-CB 4.08Å
753	I	84	Confident	90.7	Very high	108 Å²	108	25.5 Å²	25.5	55%	0.554	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.4	19.3	-176.6	58.9	165	0	0	0	112.1	S751 M755	S751-I753 PolarHBondContact O-N 3.28Å; S751-I753 VanDerWaalsContact OG-CG1 3.3Å; S751-I753 WeakPolarHBondContact OG-CG1 3.47Å; S751-I753 PolarHBondContact OG-N 2.74Å; I753-M755 HydrophobicContact CD1-CB 4.41Å; I753-M755 HydrophobicContact CD1-CG 3.67Å; I753-M755 HydrophobicContact CG1-CB 4.2Å; I753-M755 HydrophobicContact CG1-CG 3.79Å; I753-M755 PolarHBondContact O-N 3.36Å; I753-M755 VanDerWaalsContact O-N 3.1Å
754	G	83.7	Confident	90.8	Very high	53 Å²	53	24.6 Å²	24.6	55%	0.546	14%	0.137	S	C	.	.	S	Bend	trans	71.8	-1.7	177.1	0	0	0	0	0	116	E756	G754-E756 PolarHBondContact O-N 3.35Å
755	M	86.8	Confident	90.7	Very high	95 Å²	95	23.6 Å²	23.6	47%	0.468	13%	0.133	S	C	.	.	S	Bend	trans	-70	-13.2	-177.1	-71.9	-61.8	-58.8	0	0	114.6	R731 I753	R731-M755 HydrophobicContact CB-CE 4.17Å; R731-M755 WeakPolarHBondContact O-CB 3.45Å; R731-M755 WeakPolarHBondContact O-CG 3.29Å; I753-M755 HydrophobicContact CD1-CB 4.41Å; I753-M755 HydrophobicContact CD1-CG 3.67Å; I753-M755 HydrophobicContact CG1-CB 4.2Å; I753-M755 HydrophobicContact CG1-CG 3.79Å; I753-M755 PolarHBondContact O-N 3.36Å; I753-M755 VanDerWaalsContact O-N 3.1Å
756	E	88.6	Confident	90	Very high	11 Å²	11	25.3 Å²	25.3	5%	0.051	14%	0.141	C	C	.	.	S	Bend	trans	-147.3	120.1	175.5	-173.2	76.6	-131.4	0	0	107	L726 D727 G728 G750 S751 G754 K759	L726-E756 HydrophobicContact CD1-CG 4.22Å; L726-E756 HydrophobicContact CD2-CG 4.46Å; D727-E756 PolarHBondContact N-OE2 2.94Å; G728-E756 WeakPolarHBondContact CA-OE2 3.15Å; G728-E756 PolarHBondContact N-OE2 2.8Å; G750-E756 CarbonylContact C-O 3.55Å; S751-E756 VanDerWaalsContact CB-N 3.32Å; S751-E756 WeakPolarHBondContact CB-O 3.42Å; S751-E756 PolarHBondContact N-O 2.79Å; G754-E756 PolarHBondContact O-N 3.35Å; E756-K759 WeakPolarHBondContact OE1-CE 3.18Å; E756-K759 IonicContact OE1-NZ 2.75Å; E756-K759 PolarHBondContact OE1-NZ 3.36Å
757	P	92.8	Very high	88.6	Confident	70 Å²	70	28 Å²	28	46%	0.455	15%	0.154	S	C	.	.			trans	-69	142.7	-179.3	26.7	-32.9	0	0	0	110.5	K759	P757-K759 PolarHBondContact O-N 3.06Å; P757-K759 PolarHBondContact O-NZ 3.3Å
758	T	94	Very high	86.5	Confident	3 Å²	3	31.8 Å²	31.8	2%	0.018	18%	0.178	C	C	.	.			trans	-60.9	131	177.8	-52.4	0	0	0	0	111.5	A282 H283 H286 I288 W736 A749	A282-T758 PolarHBondContact N-O 3.09Å; A282-T758 VanDerWaalsContact N-O 3.16Å; A282-T758 CarbonylContact O-C 3.56Å; A282-T758 VanDerWaalsContact O-C 3.27Å; A282-T758 WeakPolarHBondContact O-CB 3.15Å; A282-T758 WeakPolarHBondContact O-CG2 3.31Å; H283-T758 HydrophobicContact CB-CG2 4.14Å; H283-T758 WeakPolarHBondContact O-CB 3.44Å; H283-T758 WeakPolarHBondContact O-CG2 3.41Å; H283-T758 PolarHBondContact O-OG1 3.21Å; H286-T758 WeakPolarHBondContact O-CB 3.43Å; H286-T758 WeakPolarHBondContact O-CG2 3.4Å; H286-T758 PolarHBondContact O-OG1 3Å; I288-T758 HydrophobicContact CD1-CG2 3.92Å; I288-T758 HydrophobicContact CG1-CG2 3.85Å; W736-T758 HydrophobicContact CH2-CG2 3.86Å; W736-T758 HydrophobicContact CZ3-CG2 3.78Å; A749-T758 CarbonylContact O-C 3.59Å; A749-T758 WeakPolarHBondContact O-CA 3.34Å
759	K	95.3	Very high	84	Confident	12 Å²	12	37.2 Å²	37.2	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	161.4	-174	58.8	176.9	148.5	-72.1	0	113.1	I279 V280 A749 E756 P757 V761 L801	I279-K759 HydrophobicContact CG2-CD 3.62Å; V280-K759 CarbonylContact O-C 3.59Å; V280-K759 WeakPolarHBondContact O-CA 3.35Å; V280-K759 WeakPolarHBondContact O-CB 3.22Å; A749-K759 HydrophobicContact CB-CG 4.16Å; A749-K759 PolarHBondContact N-O 3.2Å; A749-K759 PolarHBondContact O-N 2.78Å; A749-K759 VanDerWaalsContact O-O 3.13Å; E756-K759 WeakPolarHBondContact OE1-CE 3.18Å; E756-K759 IonicContact OE1-NZ 2.75Å; E756-K759 PolarHBondContact OE1-NZ 3.36Å; P757-K759 PolarHBondContact O-N 3.06Å; P757-K759 PolarHBondContact O-NZ 3.3Å; K759-V761 HydrophobicContact CD-CG2 4Å; K759-V761 HydrophobicContact CG-CG2 4.35Å; K759-L801 HydrophobicContact CD-CD2 4.37Å
760	L	95.4	Very high	81.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.1	155.3	-66.1	178.7	0	0	0	110.6	V280 I288 L291 A298 T300 W310 I746 C747 A748	V280-L760 HydrophobicContact CB-CB 4.35Å; V280-L760 PolarHBondContact N-O 3.49Å; V280-L760 PolarHBondContact O-N 3.48Å; I288-L760 HydrophobicContact CD1-CD2 4.15Å; L291-L760 HydrophobicContact CD1-CD2 4.12Å; A298-L760 HydrophobicContact CB-CD1 4.2Å; T300-L760 HydrophobicContact CG2-CD1 3.89Å; T300-L760 HydrophobicContact CG2-CD2 3.72Å; T300-L760 HydrophobicContact CG2-CG 4.09Å; W310-L760 HydrophobicContact CB-CD1 4.39Å; W310-L760 HydrophobicContact CD2-CD1 4.26Å; W310-L760 HydrophobicContact CG-CD1 3.81Å; I746-L760 HydrophobicContact CG2-CD2 4.26Å; C747-L760 CarbonylContact O-C 3.59Å; C747-L760 WeakPolarHBondContact O-CA 3.15Å; A748-L760 HydrophobicContact CB-CD2 4.21Å
761	V	94.5	Very high	78.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	120.7	166.6	-176.9	0	0	0	0	107.9	P277 L724 C747 K759 L763 L801	P277-V761 HydrophobicContact CB-CG1 4.12Å; L724-V761 HydrophobicContact CD1-CG1 4.26Å; L724-V761 HydrophobicContact CD2-CB 4.06Å; L724-V761 HydrophobicContact CD2-CG1 4.06Å; L724-V761 HydrophobicContact CD2-CG2 4.22Å; C747-V761 HydrophobicContact CB-CB 4.32Å; C747-V761 PolarHBondContact N-O 2.89Å; C747-V761 PolarHBondContact O-N 2.6Å; K759-V761 HydrophobicContact CD-CG2 4Å; K759-V761 HydrophobicContact CG-CG2 4.35Å; V761-L763 HydrophobicContact CG1-CD2 4.48Å; V761-L801 HydrophobicContact CG1-CD1 4.42Å; V761-L801 HydrophobicContact CG2-CD2 4.09Å
762	I	92.8	Very high	75.3	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	125.7	-179.3	-58.8	161.5	0	0	0	108.1	P277 I278 I312 L745 I746	P277-I762 WeakPolarHBondContact CA-O 3.3Å; I278-I762 HydrophobicContact CB-CB 4.18Å; I278-I762 HydrophobicContact CG2-CD1 4.45Å; I278-I762 PolarHBondContact N-O 2.69Å; I278-I762 PolarHBondContact O-N 3.15Å; I312-I762 HydrophobicContact CG2-CD1 4.34Å; I312-I762 HydrophobicContact CG2-CG2 3.79Å; L745-I762 WeakPolarHBondContact O-CA 3.19Å; I746-I762 HydrophobicContact CG1-CG1 4.2Å; I746-I762 HydrophobicContact CG1-CG2 4.49Å; I746-I762 HydrophobicContact CG2-CG1 4.17Å
763	L	91	Very high	72.8	Confident	18 Å²	18	54.2 Å²	54.2	9%	0.094	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.5	175.2	-59.5	176.9	0	0	0	109.1	P277 L723 R744 L745 V761 F765	P277-L763 HydrophobicContact CB-CD2 3.7Å; L723-L763 HydrophobicContact CB-CD1 4.27Å; R744-L763 CarbonylContact C-O 3.55Å; R744-L763 WeakPolarHBondContact CA-O 3.44Å; L745-L763 HydrophobicContact CB-CB 4.33Å; L745-L763 HydrophobicContact CD2-CD1 4.12Å; L745-L763 PolarHBondContact N-O 3.39Å; L745-L763 PolarHBondContact O-N 3.14Å; V761-L763 HydrophobicContact CG1-CD2 4.48Å; L763-F765 HydrophobicContact CB-CE2 3.86Å; L763-F765 HydrophobicContact CB-CZ 3.9Å; L763-F765 HydrophobicContact CD1-CZ 4.3Å
764	Q	87.5	Confident	70.1	Confident	52 Å²	52	55.5 Å²	55.5	24%	0.243	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.2	176	-178.8	171	-2.8	0	0	110.2	R744 Q766	R744-Q764 HydrophobicContact CG-CG 4.36Å; Q764-Q766 PolarHBondContact NE2-O 3.37Å
765	F	85.9	Confident	67.4	Low	8 Å²	8	58 Å²	58	4%	0.035	32%	0.317	C	S	.	.			trans	-116.5	-14.3	-175.6	-60	-81.8	0	0	0	113.2	T265 N268 W269 L723 E743 L745 L763	T265-F765 HydrophobicContact CG2-CB 4.02Å; N268-F765 HydrophobicContact CB-CB 4.18Å; N268-F765 HydrophobicContact CB-CD1 4.36Å; N268-F765 WeakPolarHBondContact CB-O 3.23Å; N268-F765 PolarHBondContact ND2-O 3.26Å; W269-F765 HydrophobicContact CB-CD1 4.48Å; W269-F765 AromaticContact CD1-CG 3.95Å; W269-F765 HydrophobicContact CD2-CB 4.5Å; W269-F765 HydrophobicContact CD2-CD1 4.08Å; W269-F765 AromaticContact CD2-CD2 3.65Å; W269-F765 HydrophobicContact CD2-CD2 3.65Å; W269-F765 HydrophobicContact CD2-CE1 4.19Å; W269-F765 AromaticContact CD2-CE2 3.78Å; W269-F765 HydrophobicContact CD2-CE2 3.78Å; W269-F765 AromaticContact CD2-CG 3.81Å; W269-F765 HydrophobicContact CD2-CG 3.81Å; W269-F765 HydrophobicContact CD2-CZ 4.05Å; W269-F765 AromaticContact CE2-CD2 3.32Å; W269-F765 AromaticContact CE2-CE2 3.74Å; W269-F765 AromaticContact CE2-CG 3.74Å; W269-F765 HydrophobicContact CE3-CD1 4.47Å; W269-F765 HydrophobicContact CE3-CD2 4.03Å; W269-F765 HydrophobicContact CE3-CE1 4.12Å; W269-F765 AromaticContact CE3-CE2 3.64Å; W269-F765 HydrophobicContact CE3-CE2 3.64Å; W269-F765 HydrophobicContact CE3-CG 4.43Å; W269-F765 AromaticContact CE3-CZ 3.68Å; W269-F765 HydrophobicContact CE3-CZ 3.68Å; W269-F765 HydrophobicContact CG-CB 4.29Å; W269-F765 HydrophobicContact CG-CD1 4.07Å; W269-F765 HydrophobicContact CG-CD2 4.29Å; W269-F765 HydrophobicContact CG-CE1 4.49Å; W269-F765 AromaticContact CG-CG 3.95Å; W269-F765 HydrophobicContact CG-CG 3.95Å; W269-F765 AromaticContact CH2-CD2 3.9Å; W269-F765 HydrophobicContact CH2-CD2 3.9Å; W269-F765 AromaticContact CH2-CE2 3.54Å; W269-F765 HydrophobicContact CH2-CE2 3.54Å; W269-F765 HydrophobicContact CH2-CZ 4.33Å; W269-F765 AromaticContact CZ2-CD2 3.45Å; W269-F765 HydrophobicContact CZ2-CD2 3.45Å; W269-F765 VanDerWaalsContact CZ2-CD2 3.45Å; W269-F765 AromaticContact CZ2-CE2 3.63Å; W269-F765 HydrophobicContact CZ2-CE2 3.63Å; W269-F765 HydrophobicContact CZ2-CG 4.33Å; W269-F765 HydrophobicContact CZ3-CD2 4.15Å; W269-F765 AromaticContact CZ3-CE2 3.53Å; W269-F765 HydrophobicContact CZ3-CE2 3.53Å; W269-F765 AromaticContact CZ3-CZ 3.85Å; W269-F765 HydrophobicContact CZ3-CZ 3.85Å; W269-F765 AromaticContact NE1-CD2 3.76Å; W269-F765 AromaticContact NE1-CG 3.79Å; L723-F765 HydrophobicContact CD2-CE1 4.38Å; L723-F765 HydrophobicContact CD2-CZ 4.17Å; E743-F765 PolarHBondContact O-N 3.46Å; L745-F765 HydrophobicContact CB-CE2 4.04Å; L763-F765 HydrophobicContact CB-CE2 3.86Å; L763-F765 HydrophobicContact CB-CZ 3.9Å; L763-F765 HydrophobicContact CD1-CZ 4.3Å
766	Q	77.1	Confident	64.4	Low	36 Å²	36	60.7 Å²	60.7	17%	0.168	33%	0.334	C	S	.	.	S	Bend	trans	-88.1	132.4	173.2	-172.3	-153	55.7	0	0	110.1	Q261 T265 E743 Q764	Q261-Q766 HydrophobicContact CG-CG 4.38Å; T265-Q766 HydrophobicContact CG2-CB 4.41Å; E743-Q766 HydrophobicContact CB-CB 3.97Å; E743-Q766 HydrophobicContact CG-CB 4.11Å; E743-Q766 HydrophobicContact CG-CG 4.5Å; E743-Q766 PolarHBondContact OE1-NE2 2.85Å; E743-Q766 PolarHBondContact OE2-NE2 3.12Å; Q764-Q766 PolarHBondContact NE2-O 3.37Å
767	E	65.9	Low	61.4	Low	61 Å²	61	67.4 Å²	67.4	29%	0.285	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-74.8	134.1	175.3	-41	-156	139.4	0	0	111.3	H264 W275 N769	H264-E767 VanDerWaalsContact CD2-CG 3.47Å; H264-E767 WeakPolarHBondContact CD2-CG 3.32Å; H264-E767 IonicContact CD2-OE1 2.96Å; H264-E767 IonicContact CE1-OE1 2.94Å; H264-E767 WeakPolarHBondContact NE2-CG 3.3Å; H264-E767 IonicContact NE2-OE1 2.77Å; H264-E767 PolarHBondContact NE2-OE1 2.97Å; H264-E767 IonicContact NE2-OE2 3.9Å; W275-E767 HydrophobicContact CH2-CB 3.82Å; W275-E767 HydrophobicContact CH2-CG 3.66Å; W275-E767 HydrophobicContact CZ2-CB 4.23Å; W275-E767 HydrophobicContact CZ2-CG 3.59Å; W275-E767 WeakPolarHBondContact CZ2-OE1 3.44Å; E767-N769 PolarHBondContact O-N 3.06Å
768	P	51.2	Low	58.3	Low	79 Å²	79	70.6 Å²	70.6	51%	0.513	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	124.6	165.9	28.8	-31.8	0	0	0	110.6
769	N	41.7	Very low	55	Low	114 Å²	114	78.8 Å²	78.8	61%	0.61	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.8	32.5	166.1	-48.5	-69.8	0	0	0	120.9	E767 S772	E767-N769 PolarHBondContact O-N 3.06Å; N769-S772 PolarHBondContact OD1-OG 3.11Å
770	L	37	Very low	51.8	Low	88 Å²	88	82 Å²	82	46%	0.461	44%	0.444	S	S	.	.	S	Bend	trans	-77.5	-22.3	164.9	-91.6	158.8	0	0	0	114.5
771	C	29.9	Very low	48.5	Very low	82 Å²	82	87.7 Å²	87.7	55%	0.554	49%	0.485	S	S	*	.	S	Bend	trans	-110.3	2.3	-169.2	-67.2	0	0	0	0	116
772	S	27.4	Very low	45.3	Very low	80 Å²	80	94.2 Å²	94.2	56%	0.559	52%	0.519	S	S	*	.	S	Bend	trans	-116.6	1.4	-169.6	56.6	0	0	0	0	116.3	N769	N769-S772 PolarHBondContact OD1-OG 3.11Å
773	K	25.6	Very low	42.1	Very low	164 Å²	164	103.4 Å²	103.4	71%	0.713	56%	0.559	S	S	*	*	S	Bend	trans	-140.7	38.2	-172.5	-72.2	-168	176.4	179.7	0	116.5
774	H	27.5	Very low	39.2	Very low	135 Å²	135	109.4 Å²	109.4	63%	0.625	59%	0.59	S	S	*	*			trans	-142.1	58.7	168.5	-75.8	-61.5	0	0	0	113.5	F778	H774-F778 AromaticContact CE1-CD2 3.44Å; H774-F778 VanDerWaalsContact CE1-CD2 3.44Å; H774-F778 WeakPolarHBondContact CE1-CD2 3.46Å; H774-F778 AromaticContact CE1-CE2 3.41Å; H774-F778 VanDerWaalsContact CE1-CE2 3.41Å; H774-F778 WeakPolarHBondContact CE1-CE2 3.44Å; H774-F778 AromaticContact ND1-CD2 3.48Å; H774-F778 WeakPolarHBondContact ND1-CD2 3.36Å; H774-F778 AromaticContact ND1-CE2 3.76Å
775	S	27.1	Very low	36.3	Very low	105 Å²	105	112.2 Å²	112.2	73%	0.734	61%	0.606	S	S	*	*	S	Bend	trans	-106.9	117.8	152.3	48.4	0	0	0	0	108.9
776	N	25.2	Very low	33.6	Very low	152 Å²	152	116.6 Å²	116.6	81%	0.813	64%	0.635	S	S	*	*	S	Bend	trans	67.8	137.9	176.1	-52.5	-25.2	0	0	0	117
777	N	24.5	Very low	31.4	Very low	153 Å²	153	121.6 Å²	121.6	82%	0.818	66%	0.658	S	S	*	*			trans	67.8	83.3	172.6	-59.5	-16.7	0	0	0	118.6
778	F	27.8	Very low	29.9	Very low	136 Å²	136	123.6 Å²	123.6	60%	0.596	67%	0.67	S	S	*	*			trans	-131.3	62.2	151.6	-101.6	-87.1	0	0	0	112.5	H774 S780	H774-F778 AromaticContact CE1-CD2 3.44Å; H774-F778 VanDerWaalsContact CE1-CD2 3.44Å; H774-F778 WeakPolarHBondContact CE1-CD2 3.46Å; H774-F778 AromaticContact CE1-CE2 3.41Å; H774-F778 VanDerWaalsContact CE1-CE2 3.41Å; H774-F778 WeakPolarHBondContact CE1-CE2 3.44Å; H774-F778 AromaticContact ND1-CD2 3.48Å; H774-F778 WeakPolarHBondContact ND1-CD2 3.36Å; H774-F778 AromaticContact ND1-CE2 3.76Å; F778-S780 VanDerWaalsContact C-N 3.32Å; F778-S780 PolarHBondContact O-N 2.98Å
779	N	23.8	Very low	29.2	Very low	176 Å²	176	122.2 Å²	122.2	94%	0.941	66%	0.661	S	S	*	*			trans	-91	66.2	158.4	-95.1	-12.4	0	0	0	109.7
780	S	29.1	Very low	28.5	Very low	78 Å²	78	127.3 Å²	127.3	55%	0.545	67%	0.672	S	S	.	*	S	Bend	trans	-156.9	135	161.2	62.7	0	0	0	0	111.3	F778 N782	F778-S780 VanDerWaalsContact C-N 3.32Å; F778-S780 PolarHBondContact O-N 2.98Å; S780-N782 PolarHBondContact O-N 2.9Å
781	S	26.6	Very low	28.1	Very low	121 Å²	121	127 Å²	127	85%	0.846	68%	0.675	S	S	*	*			trans	-61.7	94.3	-177.1	51.6	0	0	0	0	113.1
782	N	26.7	Very low	28.3	Very low	137 Å²	137	133 Å²	133	73%	0.733	69%	0.686	S	S	*	*			trans	-130.3	120.5	157.3	-95.4	-35.5	0	0	0	109.8	S780 I784	S780-N782 PolarHBondContact O-N 2.9Å; N782-I784 PolarHBondContact O-N 3.2Å
783	K	26.2	Very low	28.6	Very low	196 Å²	196	137.8 Å²	137.8	85%	0.852	70%	0.699	S	S	*	*			trans	-70.4	97.6	-176.1	-70.7	173	177.7	172.1	0	109.9	L785	K783-L785 PolarHBondContact O-N 2.87Å
784	I	28.9	Very low	29	Very low	145 Å²	145	138.4 Å²	138.4	74%	0.744	70%	0.702	S	S	*	*			trans	-66.3	92.5	160.1	-57.8	176.9	0	0	0	106.4	N782 P786	N782-I784 PolarHBondContact O-N 3.2Å; I784-P786 WeakPolarHBondContact O-CD 2.92Å
785	L	27.7	Very low	29.5	Very low	111 Å²	111	140.1 Å²	140.1	58%	0.581	70%	0.704	S	S	*	*			trans	-61.7	124	180	-90.6	153.5	0	0	0	109.3	K783 H787	K783-L785 PolarHBondContact O-N 2.87Å; L785-H787 PolarHBondContact O-N 3.12Å
786	P	29	Very low	29.8	Very low	99 Å²	99	138.3 Å²	138.3	64%	0.643	70%	0.695	S	S	*	*			trans	-76.6	70	172.2	33.2	-34.4	0	0	0	108.9	I784 I788	I784-P786 WeakPolarHBondContact O-CD 2.92Å; P786-I788 PolarHBondContact O-N 3.02Å
787	H	30.5	Very low	30.4	Very low	141 Å²	141	137.1 Å²	137.1	65%	0.653	70%	0.696	S	S	*	*			trans	-74.7	70.5	168.1	-80.9	-49.8	0	0	0	109.7	L785 C789	L785-H787 PolarHBondContact O-N 3.12Å; H787-C789 PolarHBondContact O-N 2.75Å; H787-C789 VanDerWaalsContact O-N 3.09Å
788	I	34.6	Very low	31.9	Very low	104 Å²	104	132.7 Å²	132.7	53%	0.533	67%	0.67	S	S	.	*			trans	-46.8	119.2	154.8	-63.5	173.6	0	0	0	106	P786 R790	P786-I788 PolarHBondContact O-N 3.02Å; I788-R790 PolarHBondContact O-N 3.45Å
789	C	35.7	Very low	33.1	Very low	49 Å²	49	128.6 Å²	128.6	33%	0.331	66%	0.657	S	S	.	*			trans	-54.4	101.8	-172.4	-57.8	0	0	0	0	110.2	C267 H787 P791	C267-C789 HydrophobicContact CB-CB 4.18Å; H787-C789 PolarHBondContact O-N 2.75Å; H787-C789 VanDerWaalsContact O-N 3.09Å; C789-P791 WeakPolarHBondContact O-CD 3.44Å
790	R	27.6	Very low	35.2	Very low	221 Å²	221	125 Å²	125	83%	0.834	63%	0.63	S	S	*	*			trans	-66.3	123.1	167.6	-73.3	-173.1	175.5	-168.9	-1.7	106.3	I788 R792	I788-R790 PolarHBondContact O-N 3.45Å; R790-R792 PolarHBondContact O-N 2.87Å; R790-R792 VanDerWaalsContact O-N 3.15Å
791	P	29.9	Very low	37.1	Very low	81 Å²	81	121.4 Å²	121.4	53%	0.526	61%	0.605	S	S	.	*			trans	-56.4	126.2	175.8	22.9	-32.2	0	0	0	108.2	C789 H793	C789-P791 WeakPolarHBondContact O-CD 3.44Å; P791-H793 VanDerWaalsContact C-N 3.28Å; P791-H793 PolarHBondContact O-N 3.18Å
792	R	34	Very low	38.9	Very low	210 Å²	210	117.7 Å²	117.7	79%	0.792	58%	0.579	S	S	*	*			trans	-67.8	94.3	173	-79.6	-176.2	172.1	-178	-1.1	107.1	R790 K794	R790-R792 PolarHBondContact O-N 2.87Å; R790-R792 VanDerWaalsContact O-N 3.15Å; R792-K794 PolarHBondContact O-N 3.37Å
793	H	33.7	Very low	40.4	Very low	179 Å²	179	116 Å²	116	83%	0.829	57%	0.567	S	S	*	*			trans	-67.3	24.1	-175.3	-106.3	-73.8	0	0	0	115.2	P791	P791-H793 VanDerWaalsContact C-N 3.28Å; P791-H793 PolarHBondContact O-N 3.18Å
794	K	32.8	Very low	41.9	Very low	178 Å²	178	109.2 Å²	109.2	77%	0.774	54%	0.54	S	S	*	.	S	Bend	trans	-135.1	125.1	169.7	-76.2	-171.1	171.5	-172.9	0	108.2	R792 A796	R792-K794 PolarHBondContact O-N 3.37Å; K794-A796 PolarHBondContact O-N 3.08Å
795	Y	37.6	Very low	43.3	Very low	171 Å²	171	105.6 Å²	105.6	67%	0.671	52%	0.521	S	S	*	.			trans	-53.9	102.8	157.3	-69.9	-83.5	0	0	0	107.9	Y719	Y719-Y795 HydrophobicContact CD1-CE1 4.18Å; Y719-Y795 AromaticContact CE1-CE1 3.96Å; Y719-Y795 HydrophobicContact CE1-CE1 3.96Å
796	A	34.2	Very low	44.2	Very low	66 Å²	66	104.1 Å²	104.1	55%	0.545	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-74.1	132.4	162.8	0	0	0	0	0	106.4	K794 E798	K794-A796 PolarHBondContact O-N 3.08Å; A796-E798 PolarHBondContact O-N 3.21Å
797	P	38.6	Very low	44.9	Very low	127 Å²	127	103.3 Å²	103.3	83%	0.825	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-60.8	116.1	169.4	26.2	-32	0	0	0	107.3
798	E	54.3	Low	45.3	Very low	60 Å²	60	99.5 Å²	99.5	28%	0.28	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-71.6	125.6	-170.8	-83.9	154.3	156.1	0	0	110.3	R721 D722 A796 R800	R721-E798 VanDerWaalsContact CB-OE1 3.24Å; R721-E798 WeakPolarHBondContact CB-OE1 3.36Å; R721-E798 WeakPolarHBondContact CB-OE2 3.47Å; R721-E798 WeakPolarHBondContact CD-OE1 3.37Å; R721-E798 WeakPolarHBondContact CG-OE1 3.06Å; R721-E798 IonicContact CZ-OE1 3.77Å; R721-E798 IonicContact NE-OE1 2.72Å; R721-E798 IonicContact NH1-OE1 2.72Å; R721-E798 PolarHBondContact NH1-OE1 2.92Å; D722-E798 PolarHBondContact N-OE2 2.9Å; A796-E798 PolarHBondContact O-N 3.21Å; E798-R800 PolarHBondContact O-N 2.99Å
799	P	53.1	Low	45.4	Very low	50 Å²	50	102.7 Å²	102.7	33%	0.325	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-58.9	141.3	-173.1	13.9	-23.9	0	0	0	110.8	Q803 L804	P799-Q803 VanDerWaalsContact CA-OE1 3.29Å; P799-Q803 HydrophobicContact CB-CB 3.34Å; P799-Q803 HydrophobicContact CB-CG 4.45Å; P799-L804 HydrophobicContact CB-CG 4.26Å; P799-L804 HydrophobicContact CG-CD2 3.72Å; P799-L804 HydrophobicContact CG-CG 3.93Å
800	R	68	Low	45.4	Very low	100 Å²	100	106 Å²	106	38%	0.377	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-55.8	160.1	167.6	-62.6	-176.5	176.5	-163.1	-3.8	109.7	D727 E798 S802 Q803 L804	D727-R800 PolarHBondContact O-NH1 2.6Å; D727-R800 VanDerWaalsContact OD1-CB 3.25Å; D727-R800 WeakPolarHBondContact OD1-CB 3.46Å; D727-R800 VanDerWaalsContact OD1-CD 3.32Å; D727-R800 WeakPolarHBondContact OD1-CD 3.14Å; E798-R800 PolarHBondContact O-N 2.99Å; R800-S802 VanDerWaalsContact C-N 3.25Å; R800-S802 PolarHBondContact O-N 2.76Å; R800-S802 VanDerWaalsContact O-N 3.17Å; R800-Q803 WeakPolarHBondContact O-CA 3.37Å; R800-Q803 WeakPolarHBondContact O-CB 3.39Å; R800-Q803 PolarHBondContact O-N 3.38Å; R800-L804 PolarHBondContact O-N 3.45Å; R800-L804 VanDerWaalsContact O-N 3.1Å
801	L	69.5	Low	45.5	Very low	4 Å²	4	100.9 Å²	100.9	2%	0.021	52%	0.52	C	S	.	.	H	α-helix	trans	-50.1	-44.9	179.7	-169.9	59	0	0	0	112.7	P277 I279 L724 R725 L726 K759 V761 Q803 L804 I805	P277-L801 HydrophobicContact CG-CD1 4.19Å; I279-L801 HydrophobicContact CD1-CD1 3.58Å; I279-L801 HydrophobicContact CD1-CD2 4.06Å; I279-L801 HydrophobicContact CD1-CG 3.8Å; I279-L801 HydrophobicContact CG1-CD1 4.28Å; L724-L801 HydrophobicContact CD1-CB 4.35Å; L724-L801 HydrophobicContact CD1-CD1 3.78Å; L724-L801 HydrophobicContact CD1-CD2 4.38Å; L724-L801 HydrophobicContact CD1-CG 4.4Å; R725-L801 PolarHBondContact O-N 2.78Å; L726-L801 HydrophobicContact CD2-CD2 4.25Å; K759-L801 HydrophobicContact CD-CD2 4.37Å; V761-L801 HydrophobicContact CG1-CD1 4.42Å; V761-L801 HydrophobicContact CG2-CD2 4.09Å; L801-Q803 VanDerWaalsContact C-N 3.31Å; L801-Q803 PolarHBondContact O-N 3.04Å; L801-L804 WeakPolarHBondContact O-CB 3.24Å; L801-L804 PolarHBondContact O-N 3.22Å; L801-I805 WeakPolarHBondContact O-CG1 3.29Å; L801-I805 PolarHBondContact O-N 3.34Å
802	S	63.6	Low	45.6	Very low	42 Å²	42	106.5 Å²	106.5	29%	0.294	55%	0.553	S	S	.	*	H	α-helix	trans	-54	-40.7	171.6	59.3	0	0	0	0	114.4	D727 R800 I805 C806	D727-S802 VanDerWaalsContact CG-OG 3.31Å; D727-S802 WeakPolarHBondContact OD1-CB 3.38Å; D727-S802 PolarHBondContact OD1-OG 2.85Å; D727-S802 WeakPolarHBondContact OD2-CB 3.49Å; D727-S802 PolarHBondContact OD2-N 3.37Å; D727-S802 PolarHBondContact OD2-OG 2.95Å; R800-S802 VanDerWaalsContact C-N 3.25Å; R800-S802 PolarHBondContact O-N 2.76Å; R800-S802 VanDerWaalsContact O-N 3.17Å; S802-I805 PolarHBondContact O-N 2.88Å; S802-C806 WeakPolarHBondContact O-CB 3.36Å; S802-C806 PolarHBondContact O-N 3.43Å; S802-C806 PolarHBondContact O-SG 2.99Å
803	Q	58.2	Low	46.2	Very low	103 Å²	103	101.3 Å²	101.3	48%	0.481	54%	0.541	S	S	.	.	H	α-helix	trans	-74.5	-28.3	-178.7	-67.8	173.1	-31.8	0	0	112.4	P799 R800 L801 I805	P799-Q803 VanDerWaalsContact CA-OE1 3.29Å; P799-Q803 HydrophobicContact CB-CB 3.34Å; P799-Q803 HydrophobicContact CB-CG 4.45Å; R800-Q803 WeakPolarHBondContact O-CA 3.37Å; R800-Q803 WeakPolarHBondContact O-CB 3.39Å; R800-Q803 PolarHBondContact O-N 3.38Å; L801-Q803 VanDerWaalsContact C-N 3.31Å; L801-Q803 PolarHBondContact O-N 3.04Å; Q803-I805 VanDerWaalsContact C-N 3.28Å
804	L	58	Low	46.9	Very low	53 Å²	53	97.2 Å²	97.2	28%	0.277	53%	0.526	S	S	.	.	H	α-helix	trans	-69.4	-24.2	168.7	-72.3	166.5	0	0	0	112.7	P277 P799 R800 L801 T807 N808	P277-L804 HydrophobicContact CG-CB 4.48Å; P799-L804 HydrophobicContact CB-CG 4.26Å; P799-L804 HydrophobicContact CG-CD2 3.72Å; P799-L804 HydrophobicContact CG-CG 3.93Å; R800-L804 PolarHBondContact O-N 3.45Å; R800-L804 VanDerWaalsContact O-N 3.1Å; L801-L804 WeakPolarHBondContact O-CB 3.24Å; L801-L804 PolarHBondContact O-N 3.22Å; L804-T807 PolarHBondContact O-OG1 2.9Å; L804-N808 PolarHBondContact O-ND2 3.17Å
805	I	59	Low	47.6	Very low	68 Å²	68	92.7 Å²	92.7	35%	0.349	51%	0.512	S	S	.	.	H	α-helix	trans	-84.9	-44.5	175.7	-58.1	162.3	0	0	0	110.4	I279 L801 S802 Q803 T807 N808	I279-I805 HydrophobicContact CD1-CD1 3.53Å; I279-I805 HydrophobicContact CD1-CG1 3.81Å; L801-I805 WeakPolarHBondContact O-CG1 3.29Å; L801-I805 PolarHBondContact O-N 3.34Å; S802-I805 PolarHBondContact O-N 2.88Å; Q803-I805 VanDerWaalsContact C-N 3.28Å; I805-T807 VanDerWaalsContact C-N 3.31Å; I805-T807 PolarHBondContact O-N 3.14Å; I805-N808 WeakPolarHBondContact O-CB 3.43Å; I805-N808 VanDerWaalsContact O-CG 3.25Å; I805-N808 PolarHBondContact O-N 2.78Å; I805-N808 PolarHBondContact O-ND2 3.14Å
806	C	46	Very low	48.2	Very low	80 Å²	80	88.1 Å²	88.1	54%	0.541	50%	0.502	S	S	.	.	H	α-helix	trans	-67.8	-22.9	-172.4	-73.5	0	0	0	0	114.7	S802 N808 F809	S802-C806 WeakPolarHBondContact O-CB 3.36Å; S802-C806 PolarHBondContact O-N 3.43Å; S802-C806 PolarHBondContact O-SG 2.99Å; C806-N808 PolarHBondContact O-N 3.26Å; C806-F809 PolarHBondContact O-N 3.33Å
807	T	43.8	Very low	49.1	Very low	83 Å²	83	89.5 Å²	89.5	51%	0.509	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.4	173.3	43.2	0	0	0	0	113.5	L804 I805 T810	L804-T807 PolarHBondContact O-OG1 2.9Å; I805-T807 VanDerWaalsContact C-N 3.31Å; I805-T807 PolarHBondContact O-N 3.14Å; T807-T810 PolarHBondContact O-OG1 3.2Å
808	N	38.6	Very low	49.8	Very low	61 Å²	61	87 Å²	87	33%	0.326	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-14.7	-169.8	-47.5	-23.9	0	0	0	112.8	H276 L804 I805 C806	H276-N808 PolarHBondContact CD2-ND2 2.95Å; H276-N808 VanDerWaalsContact CD2-ND2 3.32Å; H276-N808 PolarHBondContact CD2-OD1 2.95Å; L804-N808 PolarHBondContact O-ND2 3.17Å; I805-N808 WeakPolarHBondContact O-CB 3.43Å; I805-N808 VanDerWaalsContact O-CG 3.25Å; I805-N808 PolarHBondContact O-N 2.78Å; I805-N808 PolarHBondContact O-ND2 3.14Å; C806-N808 PolarHBondContact O-N 3.26Å
809	F	37.6	Very low	49.5	Very low	170 Å²	170	88.9 Å²	88.9	75%	0.746	49%	0.492	S	S	*	.	S	Bend	trans	-95.4	-5.4	178.9	-75.6	-75.6	0	0	0	114.1	C806	C806-F809 PolarHBondContact O-N 3.33Å
810	T	34.8	Very low	49.2	Very low	119 Å²	119	91.9 Å²	91.9	73%	0.73	51%	0.505	S	S	*	.	S	Bend	trans	-105.8	10	-179.5	50.1	0	0	0	0	114	T807	T807-T810 PolarHBondContact O-OG1 3.2Å
811	T	30.5	Very low	47.6	Very low	113 Å²	113	91.3 Å²	91.3	69%	0.693	52%	0.516	S	S	*	.			trans	-136.3	67.8	177	56.9	0	0	0	0	111.8
812	T	31.9	Very low	45.6	Very low	199 Å²	199	99.2 Å²	99.2	100%	1.221	56%	0.561	S	S	*	*			trans	-133.3	0	160.2	54	0	0	0	0	108.3

Retrieved 812 of 812 residues in 1604.1 ms (Link to these results)

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