A0A5K4EMQ9_SCHMA Loading...

Eukaryotic release factor 3-related (Erfs) (Hbs1-like)

AlphaFold DB , UniProt , Accession A0A5K4EMQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 879 aa.

						>A0A5K4EMQ9_SCHMA|A0A5K4EMQ9
MSRHRNVRALYDDDVDTYDEAFASSVDDDYTISPNTSERYIFNPDSVFKQDISVSLTNVKPLSFTAEDFPANDSENFKPEDSPGVVSGRIGSYQGFDFSVPRNNEVTNQNDSVHGSDEVFGNSDLFDSSNFKPLNTSVVGGDKLVDSTISVNKSRVEELDFELLDRLTSQSPSTQQSFQKPAKTTVSIQDTTSRLKSKSTNLHFLSKTTSLFSSNCSISKLAGITAYDMPIKTVDSTGCLIGYKTPSFFGLLMSSYTANKSKGFDGMLSRFSNIIVRTRSPIYNYLFAPRTVSGFVFDIPEPKTFERCGSKLASVTTRPCSQRKVTAHALGVPQARPTEEVNRADTSLLNLSLSQKLTISSHSDERSNFLRTPGNNSATPSKPIDRHSLVSEYSKLHKESAEKQIINLIVMGHVDAGKSTLMGNLLCLLGHVSSKQLAKYQWDAQKLGKASFAYAWILDQTSEERNRGVTMDIAQTSFETKSKRVALMDAPGHKDFVPQVIGGATQADAALLVINATRGEFETGIGAGGQTREHARLARLLGVSRLIVAVNKMDTVEWCQSRFNEIQTQISSFLKSMNFSGVMYCPVSGLVGANLVPQNLSSSSKNASDTSSNLFTWYTGPSLLELIGKKKQWFPNSIPPPERTVDGPFRFVVSDIFKPAGSSVPMVAGRVISGAISSGVNIPTSKVICLPSDVRTCVKSIRSLCNTRTSQNDAEGDLGGKLLDQVVKFAFSGDQVALMLTDIDPFQTLIPGDLLTDPDNPIQPSTCISAKLLVFSIQQPITKGYPVIYYYNCANVAATITKLKSMTHRENKIEKVVRKPRCLLGNCTANVELTFERPICIEVYEKCKPLGRFMLRVGGESIAGGTVTKIIPSKKESSS
					

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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	38.1	Very low	37.3	Very low	246 Å²	246	185.1 Å²	185.1	100%	1.212	89%	0.885	S	S	*	*				0	87	0	-85.3	-175.1	148.7	0	0	110.3
2	S	36.6	Very low	37.1	Very low	116 Å²	116	180 Å²	180	81%	0.811	87%	0.867	S	S	*	*			trans	176.5	156.4	160.2	41.3	0	0	0	0	108.3
3	R	40.1	Very low	36.9	Very low	244 Å²	244	177.2 Å²	177.2	92%	0.921	86%	0.859	S	S	*	*			trans	79.7	54.6	-177.2	-54.7	-177	176	178.2	-1.4	117.8
4	H	37.3	Very low	36.7	Very low	196 Å²	196	175.6 Å²	175.6	91%	0.907	86%	0.857	S	S	*	*			trans	-129.6	112.3	137	-101.7	-50.6	0	0	0	108.3
5	R	41.6	Very low	37	Very low	233 Å²	233	171.5 Å²	171.5	88%	0.879	85%	0.846	S	S	*	*			trans	-163.7	127.8	160	-118.3	173.9	-173.6	176.3	1.8	111.9
6	N	37.6	Very low	36.9	Very low	144 Å²	144	170.3 Å²	170.3	77%	0.77	84%	0.844	S	S	*	*			trans	47.1	107.1	155.1	-60.4	1.2	0	0	0	119.6
7	V	39.9	Very low	36.9	Very low	148 Å²	148	168.1 Å²	168.1	90%	0.897	84%	0.842	S	S	*	*				-135.6	131.5	110.9	-175.1	0	0	0	0	108.2
8	R	31.4	Very low	36.8	Very low	242 Å²	242	169.8 Å²	169.8	91%	0.913	84%	0.839	S	S	*	*			trans	-150	142.6	167.9	-150.5	-180	-165.6	170	4.9	107.2
9	A	35.2	Very low	37.1	Very low	83 Å²	83	170 Å²	170	69%	0.686	84%	0.843	S	S	*	*			trans	70.2	108.9	-172	0	0	0	0	0	115.3
10	L	37.6	Very low	37.3	Very low	180 Å²	180	171.6 Å²	171.6	94%	0.942	85%	0.848	S	S	*	*				-151	155.3	106	-95.5	161.2	0	0	0	108.2
11	Y	35.5	Very low	37.6	Very low	204 Å²	204	166.8 Å²	166.8	80%	0.8	84%	0.836	S	S	*	*			trans	-96.4	162.2	-169.6	-90.4	-98.3	0	0	0	112.3
12	D	34.5	Very low	37.5	Very low	124 Å²	124	165.3 Å²	165.3	66%	0.663	82%	0.823	S	S	*	*			trans	32.7	108.5	142.8	-54.4	-11.1	0	0	0	118
13	D	35	Very low	37.3	Very low	144 Å²	144	163.9 Å²	163.9	77%	0.77	82%	0.818	S	S	*	*				169.4	138.3	97.8	-87.2	-33.2	0	0	0	111.6
14	D	33.8	Very low	37	Very low	155 Å²	155	157.9 Å²	157.9	83%	0.829	81%	0.813	S	S	*	*			trans	60.2	177.8	163.4	-62.3	-30.7	0	0	0	120.1
15	V	41.8	Very low	36.8	Very low	113 Å²	113	153.1 Å²	153.1	69%	0.685	80%	0.802	S	S	*	*			trans	82	74.3	-179.9	-162.5	0	0	0	0	115.9	Y18	V15-Y18 HydrophobicContact CG1-CD2 4.25Å
16	D	34.7	Very low	36.7	Very low	153 Å²	153	147.9 Å²	147.9	82%	0.818	80%	0.796	S	S	*	*			trans	-49.2	152.2	138.4	-68.8	-59.2	0	0	0	110.6
17	T	37.6	Very low	36.6	Very low	133 Å²	133	147.6 Å²	147.6	82%	0.816	80%	0.795	S	S	*	*			trans	90.8	63.5	173.8	-31.7	0	0	0	0	116.7
18	Y	34.7	Very low	36.7	Very low	199 Å²	199	146.6 Å²	146.6	78%	0.78	78%	0.784	S	S	*	*			trans	-148.4	51.1	168.6	-107.7	-73.3	0	0	0	115.1	V15	V15-Y18 HydrophobicContact CG1-CD2 4.25Å
19	D	42.2	Very low	37.2	Very low	173 Å²	173	142 Å²	142	93%	0.925	78%	0.777	S	S	*	*			trans	-124	21.6	177.8	-96.4	-32.1	0	0	0	114.8
20	E	41	Very low	37.7	Very low	201 Å²	201	147.7 Å²	147.7	94%	0.939	78%	0.783	S	S	*	*	S	Bend	trans	-125.6	65.7	170.3	-70.8	-164.2	167.7	0	0	111.8
21	A	42.7	Very low	38	Very low	71 Å²	71	145.4 Å²	145.4	59%	0.587	78%	0.776	S	S	*	*			trans	-150.6	-27.3	174.9	0	0	0	0	0	116.6	A23	A21-A23 VanDerWaalsContact C-N 3.32Å; A21-A23 PolarHBondContact O-N 3.26Å; A21-A23 VanDerWaalsContact O-N 3.13Å
22	F	37	Very low	38.4	Very low	216 Å²	216	140.2 Å²	140.2	95%	0.947	76%	0.762	S	S	*	*			trans	-91.2	62	-178.2	-79.2	-79.3	0	0	0	113.3
23	A	32.8	Very low	38.8	Very low	85 Å²	85	137 Å²	137	70%	0.702	75%	0.749	S	S	*	*			trans	-92	133.6	156.9	0	0	0	0	0	109.4	A21	A21-A23 VanDerWaalsContact C-N 3.32Å; A21-A23 PolarHBondContact O-N 3.26Å; A21-A23 VanDerWaalsContact O-N 3.13Å
24	S	33.5	Very low	39.3	Very low	118 Å²	118	135.3 Å²	135.3	83%	0.825	75%	0.746	S	S	*	*	S	Bend	trans	92.1	141.4	179.9	79.5	0	0	0	0	118
25	S	32.2	Very low	40.2	Very low	96 Å²	96	134.7 Å²	134.7	67%	0.671	74%	0.742	S	S	*	*			trans	67.3	81.4	-176.4	-159.9	0	0	0	0	116.9	D27	S25-D27 PolarHBondContact OG-OD2 3.05Å
26	V	39.3	Very low	40.7	Very low	123 Å²	123	132 Å²	132	75%	0.745	73%	0.726	S	S	*	*			trans	-124.9	94.2	139.6	-179.1	0	0	0	0	106.2	D28	V26-D28 PolarHBondContact O-N 2.94Å
27	D	36.7	Very low	41.1	Very low	139 Å²	139	127 Å²	127	74%	0.743	70%	0.703	S	S	*	*			trans	-83.6	93.9	171.5	-65.8	-78.1	0	0	0	108	S25	S25-D27 PolarHBondContact OG-OD2 3.05Å
28	D	42.5	Very low	41.8	Very low	127 Å²	127	128.1 Å²	128.1	68%	0.679	70%	0.699	S	S	*	*			trans	-75.6	129.9	-179.8	-86.6	-32.4	0	0	0	112.3	V26 Y30	V26-D28 PolarHBondContact O-N 2.94Å; D28-Y30 PolarHBondContact O-N 2.94Å; D28-Y30 VanDerWaalsContact O-N 3.11Å
29	D	40.9	Very low	42.5	Very low	144 Å²	144	128.9 Å²	128.9	77%	0.77	70%	0.701	S	S	*	*			trans	-59.4	102.5	-170.8	-75.4	-59.7	0	0	0	115.2
30	Y	46.1	Very low	42.7	Very low	203 Å²	203	129 Å²	129	80%	0.796	69%	0.689	S	S	*	*			trans	-124.8	57.7	163.2	-74.7	-80.2	0	0	0	112.7	D28 I32	D28-Y30 PolarHBondContact O-N 2.94Å; D28-Y30 VanDerWaalsContact O-N 3.11Å; Y30-I32 VanDerWaalsContact C-N 3.33Å; Y30-I32 PolarHBondContact O-N 3.34Å
31	T	42.8	Very low	42.8	Very low	132 Å²	132	125.2 Å²	125.2	81%	0.81	68%	0.675	S	S	*	*			trans	-78.2	79	171.4	44.1	0	0	0	0	111.9	S33	T31-S33 PolarHBondContact O-N 3.08Å
32	I	45.5	Very low	42.6	Very low	96 Å²	96	130.9 Å²	130.9	49%	0.492	69%	0.686	S	S	.	*			trans	-63.3	126.7	166.7	-64.1	178.3	0	0	0	108.5	Y30 T36	Y30-I32 VanDerWaalsContact C-N 3.33Å; Y30-I32 PolarHBondContact O-N 3.34Å; I32-T36 HydrophobicContact CG2-CG2 3.95Å
33	S	42.3	Very low	42.9	Very low	56 Å²	56	124.7 Å²	124.7	39%	0.392	66%	0.663	S	S	.	*			trans	-63	149.6	-179.9	92.1	0	0	0	0	111.4	T31 N35 T36 S37	T31-S33 PolarHBondContact O-N 3.08Å; S33-N35 PolarHBondContact O-N 2.68Å; S33-T36 WeakPolarHBondContact O-CA 3.32Å; S33-T36 WeakPolarHBondContact O-CB 3.35Å; S33-T36 PolarHBondContact O-N 3.28Å; S33-T36 PolarHBondContact OG-OG1 3.43Å; S33-S37 PolarHBondContact O-N 3.29Å
34	P	45.9	Very low	43.7	Very low	109 Å²	109	125 Å²	125	71%	0.708	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-20.3	-179.4	-26.3	35.2	0	0	0	115	S37	P34-S37 PolarHBondContact O-OG 3.1Å; P34-S37 VanDerWaalsContact O-OG 3.08Å
35	N	51.1	Low	44.2	Very low	142 Å²	142	126.1 Å²	126.1	76%	0.759	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-4.8	175.9	-66.3	3.3	0	0	0	113	S33	S33-N35 PolarHBondContact O-N 2.68Å
36	T	53.8	Low	44.4	Very low	55 Å²	55	125.1 Å²	125.1	34%	0.337	65%	0.647	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.3	-24.8	-178.1	-48.5	0	0	0	0	111.6	I32 S33 E38 R39 Y40	I32-T36 HydrophobicContact CG2-CG2 3.95Å; S33-T36 WeakPolarHBondContact O-CA 3.32Å; S33-T36 WeakPolarHBondContact O-CB 3.35Å; S33-T36 PolarHBondContact O-N 3.28Å; S33-T36 PolarHBondContact OG-OG1 3.43Å; T36-E38 VanDerWaalsContact C-N 3.34Å; T36-E38 PolarHBondContact O-N 3.32Å; T36-R39 PolarHBondContact O-N 3.29Å; T36-Y40 HydrophobicContact CG2-CE2 4.1Å; T36-Y40 WeakPolarHBondContact O-CD2 3.37Å
37	S	43.6	Very low	44.4	Very low	49 Å²	49	125 Å²	125	34%	0.343	65%	0.646	S	S	.	*	G	3₁₀ helix	trans	-61.5	-36.1	179.3	50	0	0	0	0	113.5	S33 P34 R39 Y40 I41	S33-S37 PolarHBondContact O-N 3.29Å; P34-S37 PolarHBondContact O-OG 3.1Å; P34-S37 VanDerWaalsContact O-OG 3.08Å; S37-R39 PolarHBondContact O-N 2.78Å; S37-Y40 PolarHBondContact O-N 3.18Å; S37-I41 PolarHBondContact O-N 3.13Å
38	E	51.3	Low	44.3	Very low	157 Å²	157	127.7 Å²	127.7	73%	0.734	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-59.6	-19.7	177.2	-64.6	-171.6	159.5	0	0	113.7	T36	T36-E38 VanDerWaalsContact C-N 3.34Å; T36-E38 PolarHBondContact O-N 3.32Å
39	R	49.2	Very low	43.8	Very low	214 Å²	214	131.1 Å²	131.1	81%	0.808	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-85.3	-7.9	175.5	-64.1	-175.1	177.8	-178.2	-1.2	114.4	T36 S37	T36-R39 PolarHBondContact O-N 3.29Å; S37-R39 PolarHBondContact O-N 2.78Å
40	Y	46.5	Very low	43.3	Very low	176 Å²	176	133.3 Å²	133.3	69%	0.69	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	4.5	-177.3	-69.2	-78.4	0	0	0	113.5	T36 S37 F42	T36-Y40 HydrophobicContact CG2-CE2 4.1Å; T36-Y40 WeakPolarHBondContact O-CD2 3.37Å; S37-Y40 PolarHBondContact O-N 3.18Å; Y40-F42 PolarHBondContact O-N 2.86Å; Y40-F42 VanDerWaalsContact O-N 3.14Å
41	I	42.7	Very low	42.8	Very low	122 Å²	122	131.6 Å²	131.6	63%	0.626	67%	0.671	S	S	*	*			trans	-74.7	103	168.5	-63.3	173.4	0	0	0	107.8	S37 N43	S37-I41 PolarHBondContact O-N 3.13Å; I41-N43 PolarHBondContact O-N 3.44Å
42	F	39.6	Very low	42.3	Very low	190 Å²	190	133.1 Å²	133.1	83%	0.833	67%	0.673	S	S	*	*			trans	-67	99.7	174.5	-172.7	-91.4	0	0	0	109.5	Y40	Y40-F42 PolarHBondContact O-N 2.86Å; Y40-F42 VanDerWaalsContact O-N 3.14Å
43	N	43.2	Very low	41.4	Very low	85 Å²	85	134.3 Å²	134.3	46%	0.455	69%	0.689	S	S	.	*			trans	-108.1	111.9	176.7	-162.2	3.9	0	0	0	108.1	I41 D45 S46	I41-N43 PolarHBondContact O-N 3.44Å; N43-D45 PolarHBondContact O-N 2.87Å; N43-D45 VanDerWaalsContact O-N 3.11Å; N43-S46 PolarHBondContact O-N 2.67Å; N43-S46 PolarHBondContact O-OG 3.21Å
44	P	49	Very low	40.8	Very low	91 Å²	91	137.5 Å²	137.5	59%	0.591	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-23.4	-172.1	23.4	-33.3	0	0	0	113.5
45	D	43.1	Very low	39.8	Very low	142 Å²	142	137.7 Å²	137.7	76%	0.759	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-7.4	-171.7	-53.9	-28.9	0	0	0	114.3	N43	N43-D45 PolarHBondContact O-N 2.87Å; N43-D45 VanDerWaalsContact O-N 3.11Å
46	S	36.6	Very low	38.8	Very low	75 Å²	75	138.2 Å²	138.2	52%	0.524	71%	0.712	S	S	.	*			trans	-92.3	-4.6	-170.4	66.3	0	0	0	0	115.5	N43 F48	N43-S46 PolarHBondContact O-N 2.67Å; N43-S46 PolarHBondContact O-OG 3.21Å; S46-F48 PolarHBondContact O-N 3.49Å; S46-F48 VanDerWaalsContact O-N 3.16Å
47	V	40.3	Very low	37.4	Very low	120 Å²	120	141.7 Å²	141.7	73%	0.727	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-12.6	-168.7	179.7	0	0	0	0	114.1
48	F	34.7	Very low	36.7	Very low	197 Å²	197	146.4 Å²	146.4	86%	0.864	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-5.5	-166.8	-103.9	-81.8	0	0	0	118.1	S46	S46-F48 PolarHBondContact O-N 3.49Å; S46-F48 VanDerWaalsContact O-N 3.16Å
49	K	32.6	Very low	35.8	Very low	198 Å²	198	145.2 Å²	145.2	86%	0.861	76%	0.758	S	S	*	*	S	Bend	trans	-140	11	-165.6	-85.9	-175.4	179	166.9	0	119.7
50	Q	30.5	Very low	34.8	Very low	191 Å²	191	142.6 Å²	142.6	89%	0.893	75%	0.752	S	S	*	*			trans	-134.5	58.6	179.5	-70	-168.3	-12.4	0	0	115.1
51	D	34.4	Very low	34.2	Very low	167 Å²	167	140.1 Å²	140.1	89%	0.893	76%	0.758	S	S	*	*			trans	-102.1	123.7	157.1	-98.5	-34.9	0	0	0	110.4	S53	D51-S53 PolarHBondContact O-N 3.11Å
52	I	32.3	Very low	33.7	Very low	164 Å²	164	137.1 Å²	137.1	84%	0.841	74%	0.743	S	S	*	*			trans	-70.6	121.6	179.3	-69	169.9	0	0	0	109.1	V54	I52-V54 PolarHBondContact O-N 3.46Å
53	S	26.4	Very low	33.8	Very low	120 Å²	120	132.1 Å²	132.1	84%	0.839	73%	0.732	S	S	*	*			trans	-71.1	89.9	-172.4	44.9	0	0	0	0	113.7	D51	D51-S53 PolarHBondContact O-N 3.11Å
54	V	29.5	Very low	33.9	Very low	124 Å²	124	129.2 Å²	129.2	75%	0.752	72%	0.715	S	S	*	*			trans	-102	116.4	151.3	-178.6	0	0	0	0	108.3	I52 L56	I52-V54 PolarHBondContact O-N 3.46Å; V54-L56 PolarHBondContact O-N 3.1Å
55	S	25.2	Very low	33.6	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	70%	0.704	S	S	*	*			trans	-67.4	93.7	-165.9	54.5	0	0	0	0	114.3
56	L	29.5	Very low	33.5	Very low	154 Å²	154	123.4 Å²	123.4	81%	0.806	69%	0.689	S	S	*	*			trans	-134.5	70.1	164.9	-78.5	174.9	0	0	0	111.1	V54	V54-L56 PolarHBondContact O-N 3.1Å
57	T	26.4	Very low	33.9	Very low	128 Å²	128	126 Å²	126	79%	0.785	69%	0.693	S	S	*	*			trans	-72.1	139.7	170.6	45.2	0	0	0	0	111.2
58	N	27.7	Very low	34.5	Very low	147 Å²	147	120.9 Å²	120.9	79%	0.786	66%	0.661	S	S	*	*			trans	78.2	68	-179	-54.7	-63.6	0	0	0	118.2
59	V	31.7	Very low	35.5	Very low	133 Å²	133	111.9 Å²	111.9	81%	0.806	62%	0.621	S	S	*	*			trans	-97.4	90	155.7	-174.8	0	0	0	0	109.8
60	K	28.3	Very low	36.6	Very low	158 Å²	158	103.1 Å²	103.1	69%	0.687	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-73.8	141.8	165.4	-77.6	179.1	176.5	174.4	0	109.6	L62	K60-L62 PolarHBondContact O-N 2.98Å; K60-L62 VanDerWaalsContact O-N 3.12Å
61	P	34.2	Very low	37.2	Very low	124 Å²	124	96.1 Å²	96.1	81%	0.805	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-62.2	117	171.2	26	-32.8	0	0	0	109.5
62	L	33.4	Very low	37.7	Very low	59 Å²	59	90.1 Å²	90.1	31%	0.309	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-75.3	126.2	179	-76.3	163.8	0	0	0	110.6	K60 R809	K60-L62 PolarHBondContact O-N 2.98Å; K60-L62 VanDerWaalsContact O-N 3.12Å; L62-R809 WeakPolarHBondContact CD1-O 3.38Å; L62-R809 WeakPolarHBondContact CD2-O 3.48Å
63	S	40.1	Very low	37.9	Very low	86 Å²	86	87.2 Å²	87.2	60%	0.601	51%	0.514	S	S	*	.			trans	-76.3	115.6	167.2	57	0	0	0	0	109.6
64	F	45.9	Very low	38.3	Very low	24 Å²	24	85 Å²	85	11%	0.105	50%	0.499	C	S	.	.			trans	-65.8	131.8	166.1	-60.2	-72.9	0	0	0	109.7	D68 F69 N578 L773 N826	F64-D68 WeakPolarHBondContact CA-OD2 3.43Å; F64-D68 HydrophobicContact CB-CB 4.12Å; F64-D68 HydrophobicContact CD1-CB 4.19Å; F64-F69 HydrophobicContact CB-CD2 4.29Å; F64-F69 HydrophobicContact CB-CE2 3.57Å; F64-F69 HydrophobicContact CB-CZ 4.32Å; F64-F69 HydrophobicContact CG-CE2 4.24Å; F64-N578 PolarHBondContact O-ND2 3.27Å; F64-L773 HydrophobicContact CD1-CD1 3.66Å; F64-L773 HydrophobicContact CE1-CD1 3.58Å; F64-L773 HydrophobicContact CE1-CG 4.32Å; F64-L773 HydrophobicContact CZ-CD1 4.46Å; F64-N826 HydrophobicContact CE1-CB 4.3Å; F64-N826 HydrophobicContact CZ-CB 3.92Å
65	T	42.1	Very low	38.4	Very low	57 Å²	57	86 Å²	86	35%	0.35	50%	0.495	S	S	.	.			trans	-87.9	171	172.3	84.2	0	0	0	0	110.6	E67 D68 N578 R809	T65-E67 PolarHBondContact O-N 3.25Å; T65-E67 PolarHBondContact OG1-OE2 2.89Å; T65-D68 PolarHBondContact N-OD2 3.5Å; T65-D68 VanDerWaalsContact N-OD2 3.16Å; T65-D68 WeakPolarHBondContact O-CB 3.46Å; T65-D68 PolarHBondContact O-N 2.9Å; T65-N578 VanDerWaalsContact C-ND2 3.25Å; T65-N578 PolarHBondContact O-ND2 3.07Å; T65-R809 PolarHBondContact OG1-NH1 3.07Å
66	A	41.4	Very low	38.5	Very low	54 Å²	54	88.5 Å²	88.5	45%	0.446	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-29.4	-179.2	0	0	0	0	0	113.9	F69 N578	A66-F69 PolarHBondContact O-N 3.17Å; A66-N578 HydrophobicContact CB-CB 4.34Å; A66-N578 VanDerWaalsContact N-CG 3.34Å; A66-N578 PolarHBondContact N-OD1 3.27Å
67	E	45.4	Very low	38.4	Very low	130 Å²	130	91 Å²	91	61%	0.607	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.2	-179.1	-56.3	164.4	152.8	0	0	114.5	T65 F69 K771 R809	T65-E67 PolarHBondContact O-N 3.25Å; T65-E67 PolarHBondContact OG1-OE2 2.89Å; E67-F69 VanDerWaalsContact C-N 3.35Å; E67-K771 PolarHBondContact O-NZ 2.81Å; E67-R809 IonicContact OE2-CZ 3.12Å; E67-R809 IonicContact OE2-NH2 2.7Å; E67-R809 PolarHBondContact OE2-NH2 3.16Å
68	D	52.2	Low	38.5	Very low	11 Å²	11	93.7 Å²	93.7	6%	0.059	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-29.2	175.4	-74.3	-41	0	0	0	111.4	F64 T65 L773 R809 T828	F64-D68 WeakPolarHBondContact CA-OD2 3.43Å; F64-D68 HydrophobicContact CB-CB 4.12Å; F64-D68 HydrophobicContact CD1-CB 4.19Å; T65-D68 PolarHBondContact N-OD2 3.5Å; T65-D68 VanDerWaalsContact N-OD2 3.16Å; T65-D68 WeakPolarHBondContact O-CB 3.46Å; T65-D68 PolarHBondContact O-N 2.9Å; D68-L773 HydrophobicContact CB-CD1 3.95Å; D68-R809 IonicContact OD1-CZ 2.78Å; D68-R809 IonicContact OD1-NE 2.7Å; D68-R809 PolarHBondContact OD1-NE 2.64Å; D68-R809 IonicContact OD1-NH1 3.65Å; D68-R809 PolarHBondContact OD1-NH1 2.76Å; D68-R809 IonicContact OD2-CZ 2.67Å; D68-R809 IonicContact OD2-NE 2.85Å; D68-R809 IonicContact OD2-NH1 3.24Å; D68-R809 PolarHBondContact OD2-NH1 2.91Å; D68-T828 HydrophobicContact CB-CG2 4.27Å; D68-T828 WeakPolarHBondContact OD1-CG2 3.32Å
69	F	56.7	Low	38.7	Very low	8 Å²	8	92.5 Å²	92.5	4%	0.035	51%	0.505	C	S	.	.	S	Bend	trans	-88.8	156.8	175.1	-70.7	-85.1	0	0	0	111	F64 A66 E67 A71 R539 L540 M577 N578 L773	F64-F69 HydrophobicContact CB-CD2 4.29Å; F64-F69 HydrophobicContact CB-CE2 3.57Å; F64-F69 HydrophobicContact CB-CZ 4.32Å; F64-F69 HydrophobicContact CG-CE2 4.24Å; A66-F69 PolarHBondContact O-N 3.17Å; E67-F69 VanDerWaalsContact C-N 3.35Å; F69-A71 PolarHBondContact O-N 2.68Å; F69-A71 VanDerWaalsContact O-N 3.11Å; F69-R539 HydrophobicContact CD1-CB 4.44Å; F69-R539 HydrophobicContact CD1-CG 3.56Å; F69-R539 HydrophobicContact CE1-CB 4.35Å; F69-R539 HydrophobicContact CE1-CG 3.79Å; F69-R539 HydrophobicContact CG-CG 4.16Å; F69-L540 HydrophobicContact CD1-CD2 3.8Å; F69-L540 HydrophobicContact CD1-CG 4.4Å; F69-L540 HydrophobicContact CE1-CD2 4Å; F69-L540 HydrophobicContact CE1-CG 4.33Å; F69-M577 HydrophobicContact CZ-CB 4.43Å; F69-N578 HydrophobicContact CD2-CB 4.38Å; F69-N578 VanDerWaalsContact CD2-ND2 3.34Å; F69-N578 WeakPolarHBondContact CD2-ND2 3.17Å; F69-N578 WeakPolarHBondContact CE2-ND2 3.23Å; F69-L773 HydrophobicContact CD1-CD2 3.99Å; F69-L773 HydrophobicContact CE1-CD2 3.74Å; F69-L773 HydrophobicContact CZ-CD2 4.05Å
70	P	54.8	Low	38.8	Very low	15 Å²	15	95 Å²	95	10%	0.097	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-54	119.8	163.9	20.6	-30.6	0	0	0	110	N72 R539 Y844 T866	P70-N72 PolarHBondContact O-N 3.26Å; P70-R539 PolarHBondContact O-NH1 3.15Å; P70-R539 VanDerWaalsContact O-NH1 3.15Å; P70-Y844 HydrophobicContact CB-CE1 4.33Å; P70-Y844 HydrophobicContact CB-CE2 4.16Å; P70-Y844 WeakPolarHBondContact CB-OH 3.29Å; P70-T866 HydrophobicContact CB-CG2 3.91Å; P70-T866 HydrophobicContact CG-CG2 4.47Å
71	A	44	Very low	39.1	Very low	43 Å²	43	94.8 Å²	94.8	36%	0.355	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-63.1	125.5	175.5	0	0	0	0	0	109.4	F69 D73 Y844	F69-A71 PolarHBondContact O-N 2.68Å; F69-A71 VanDerWaalsContact O-N 3.11Å; A71-D73 VanDerWaalsContact CB-OD1 3.3Å; A71-D73 WeakPolarHBondContact CB-OD1 3.5Å; A71-Y844 PolarHBondContact O-OH 3.02Å
72	N	45	Very low	39	Very low	41 Å²	41	94.4 Å²	94.4	22%	0.219	52%	0.515	C	S	.	.			trans	-98.8	74.8	167.8	-89	-11.2	0	0	0	106.5	P70 S74 G542 R852	P70-N72 PolarHBondContact O-N 3.26Å; N72-S74 PolarHBondContact O-N 2.9Å; N72-S74 PolarHBondContact O-OG 2.79Å; N72-G542 PolarHBondContact ND2-O 3.48Å; N72-R852 PolarHBondContact OD1-NH2 3.06Å
73	D	35.5	Very low	39.2	Very low	104 Å²	104	97.5 Å²	97.5	56%	0.556	54%	0.538	S	S	*	.			trans	-59.9	104.6	179.5	-37	-70.3	0	0	0	108.6	A71 K848	A71-D73 VanDerWaalsContact CB-OD1 3.3Å; A71-D73 WeakPolarHBondContact CB-OD1 3.5Å; D73-K848 IonicContact OD2-NZ 3.16Å; D73-K848 PolarHBondContact OD2-NZ 2.89Å
74	S	35.3	Very low	39	Very low	74 Å²	74	97.1 Å²	97.1	52%	0.517	55%	0.548	S	S	.	.			trans	-150.2	36.7	179.6	55.4	0	0	0	0	111.5	N72	N72-S74 PolarHBondContact O-N 2.9Å; N72-S74 PolarHBondContact O-OG 2.79Å
75	E	31.6	Very low	38.2	Very low	145 Å²	145	102.8 Å²	102.8	68%	0.678	59%	0.585	S	S	*	*	S	Bend	trans	-161.5	140.5	163.7	-104.6	141.6	-140.4	0	0	108.6
76	N	26.5	Very low	37.9	Very low	163 Å²	163	106.8 Å²	106.8	87%	0.872	61%	0.609	S	S	*	*			trans	69.6	69.8	-177	-61	-16.5	0	0	0	118.5
77	F	28.4	Very low	37.4	Very low	208 Å²	208	109.7 Å²	109.7	91%	0.912	63%	0.626	S	S	*	*			trans	-104.2	119.1	139.1	-102.1	-90	0	0	0	108.6
78	K	28.2	Very low	36.8	Very low	183 Å²	183	107 Å²	107	80%	0.796	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-83.2	137.2	156.1	-75	-175.8	174.8	-175.7	0	107.1
79	P	32.5	Very low	35.9	Very low	123 Å²	123	117.3 Å²	117.3	80%	0.799	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-72.8	125.7	164.1	31	-29.9	0	0	0	108.1
80	E	32.9	Very low	34.7	Very low	185 Å²	185	124.8 Å²	124.8	86%	0.864	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-101.6	140.9	158.5	-75.6	-161.9	162.3	0	0	108.9
81	D	34.9	Very low	33.7	Very low	153 Å²	153	127.7 Å²	127.7	82%	0.818	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-71.9	150.1	-166.5	-64.1	-66.5	0	0	0	113.7	P83	D81-P83 WeakPolarHBondContact O-CD 3.19Å
82	S	31.4	Very low	33	Very low	117 Å²	117	130.2 Å²	130.2	82%	0.818	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-76.4	129.2	169	47.7	0	0	0	0	111.5
83	P	38.2	Very low	32.5	Very low	123 Å²	123	138.2 Å²	138.2	80%	0.799	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-94.4	130	162.4	32.7	-28.2	0	0	0	110.6	D81	D81-P83 WeakPolarHBondContact O-CD 3.19Å
84	G	35.4	Very low	32.3	Very low	78 Å²	78	141.5 Å²	141.5	80%	0.804	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.5	155.6	175.9	0	0	0	0	0	113.7	V86	G84-V86 PolarHBondContact O-N 3.4Å
85	V	30.9	Very low	32.1	Very low	144 Å²	144	141.2 Å²	141.2	87%	0.873	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62	121.4	175.8	175.3	0	0	0	0	112.2
86	V	33.9	Very low	32.1	Very low	141 Å²	141	144.9 Å²	144.9	86%	0.855	82%	0.82	S	S	*	*			trans	-147	129.8	138.7	-176.3	0	0	0	0	111.5	G84	G84-V86 PolarHBondContact O-N 3.4Å
87	S	32	Very low	32.4	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	81%	0.812	S	S	*	*			trans	-38.5	146.9	170.2	-172.4	0	0	0	0	118.4
88	G	33.5	Very low	32.6	Very low	72 Å²	72	141.6 Å²	141.6	74%	0.742	80%	0.804	S	S	*	*			trans	171.7	63.2	166.7	0	0	0	0	0	121.3
89	R	31.9	Very low	32.8	Very low	229 Å²	229	137.2 Å²	137.2	86%	0.864	80%	0.797	S	S	*	*			trans	37.4	120.2	151.9	-73.8	-178.4	170.8	170	-2.5	122.8
90	I	32.2	Very low	32.9	Very low	164 Å²	164	137.8 Å²	137.8	84%	0.841	80%	0.798	S	S	*	*				62.1	120.6	127.8	-55.5	160.8	0	0	0	119.6
91	G	33.3	Very low	33.2	Very low	77 Å²	77	134.1 Å²	134.1	79%	0.794	79%	0.79	S	S	*	*			trans	159.2	114.4	155.7	0	0	0	0	0	114.5
92	S	29.7	Very low	33.1	Very low	96 Å²	96	137.3 Å²	137.3	67%	0.671	79%	0.79	S	S	*	*			trans	-99.3	150.5	174.7	51.3	0	0	0	0	112
93	Y	34.4	Very low	33.2	Very low	208 Å²	208	138.1 Å²	138.1	82%	0.816	79%	0.786	S	S	*	*				166.8	166.4	124.3	-95.7	-74.1	0	0	0	113.5
94	Q	32.5	Very low	33.1	Very low	174 Å²	174	139.7 Å²	139.7	81%	0.813	79%	0.787	S	S	*	*			trans	-59.5	162.1	-166.7	-66.6	148.9	-39.4	0	0	116.8
95	G	30.9	Very low	32.9	Very low	67 Å²	67	144.6 Å²	144.6	69%	0.691	79%	0.789	S	S	*	*			trans	-105.1	-174.7	179.9	0	0	0	0	0	115.6
96	F	31.9	Very low	33.1	Very low	222 Å²	222	143.8 Å²	143.8	97%	0.974	78%	0.784	S	S	*	*			trans	-151.4	-177.9	174.3	-97.3	-76.8	0	0	0	111.1
97	D	31.4	Very low	33.1	Very low	132 Å²	132	142.4 Å²	142.4	71%	0.706	78%	0.776	S	S	*	*			trans	-143	168.9	-135.4	-151.7	-7.1	0	0	0	114.8
98	F	33.1	Very low	33.1	Very low	170 Å²	170	143.7 Å²	143.7	75%	0.746	77%	0.774	S	S	*	*			trans	71.7	111.4	160.7	-81.5	-80.9	0	0	0	126.2
99	S	32.7	Very low	33.2	Very low	92 Å²	92	149.3 Å²	149.3	64%	0.643	78%	0.781	S	S	*	*				60.3	121.1	125.2	67.6	0	0	0	0	127.6
100	V	33.6	Very low	33.1	Very low	134 Å²	134	145.6 Å²	145.6	81%	0.812	78%	0.779	S	S	*	*				47.7	146.5	113.4	-178.6	0	0	0	0	119.7
101	P	39.6	Very low	33.3	Very low	108 Å²	108	146 Å²	146	70%	0.701	78%	0.782	S	S	*	*			cis	-144.5	172.7	21.5	19.4	9.8	0	0	0	122.2
102	R	32.3	Very low	33.1	Very low	221 Å²	221	147.6 Å²	147.6	83%	0.834	78%	0.781	S	S	*	*			trans	73.2	127.7	138.2	-77.5	177.4	-173.9	177.2	2.8	126.1
103	N	34.4	Very low	33.5	Very low	134 Å²	134	149.9 Å²	149.9	72%	0.717	79%	0.791	S	S	*	*			trans	66.1	114.4	134	-66.4	25.5	0	0	0	123.2
104	N	35.3	Very low	33.6	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	79%	0.792	S	S	*	*				178.1	166.9	99.4	-98.6	-5.5	0	0	0	113.3
105	E	31	Very low	33.7	Very low	181 Å²	181	143.5 Å²	143.5	85%	0.846	79%	0.786	S	S	*	*			trans	-85.9	168.7	-174.2	-57.5	167.4	128.7	0	0	114.1
106	V	36.3	Very low	33.8	Very low	128 Å²	128	145 Å²	145	78%	0.776	79%	0.786	S	S	*	*				154.7	108.8	128.7	166.3	0	0	0	0	113.6
107	T	33.3	Very low	34	Very low	111 Å²	111	141 Å²	141	68%	0.681	78%	0.775	S	S	*	*			trans	26.5	139.6	148.2	67.9	0	0	0	0	125.9
108	N	32	Very low	34.2	Very low	142 Å²	142	142.9 Å²	142.9	76%	0.759	78%	0.779	S	S	*	*			trans	66.2	116.8	133.8	-66.6	-8.1	0	0	0	121.7
109	Q	36	Very low	34.5	Very low	191 Å²	191	139.7 Å²	139.7	89%	0.893	77%	0.774	S	S	*	*				-178.7	163.1	92	-112.6	161.6	10.9	0	0	112.5
110	N	30.3	Very low	34.6	Very low	151 Å²	151	145 Å²	145	81%	0.807	79%	0.786	S	S	*	*			trans	-85.7	161.2	178	-58.6	-40.6	0	0	0	111.4
111	D	35.2	Very low	34.6	Very low	172 Å²	172	141.6 Å²	141.6	92%	0.92	78%	0.778	S	S	*	*				-167	155.4	127.2	-96.9	-22.7	0	0	0	112.2
112	S	29.1	Very low	34.4	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	79%	0.786	S	S	*	*			trans	-133.6	143.5	-172.3	56.6	0	0	0	0	111.9
113	V	37.9	Very low	34.5	Very low	144 Å²	144	137.8 Å²	137.8	87%	0.873	78%	0.775	S	S	*	*			trans	174.7	153	167.4	137.9	0	0	0	0	108
114	H	36.3	Very low	34.5	Very low	180 Å²	180	137.7 Å²	137.7	83%	0.833	77%	0.774	S	S	*	*			cis	-173.2	140.7	-35.1	-147.7	-14.7	0	0	0	107.9
115	G	35.3	Very low	34.4	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	77%	0.767	S	S	*	*			trans	75.5	163.1	160	0	0	0	0	0	118.9
116	S	32	Very low	34.5	Very low	99 Å²	99	136.3 Å²	136.3	69%	0.692	76%	0.764	S	S	*	*			cis	-168.8	-179.5	-27.4	56.3	0	0	0	0	109.6
117	D	36.7	Very low	34.3	Very low	138 Å²	138	136.8 Å²	136.8	74%	0.738	76%	0.762	S	S	*	*			trans	75.8	136.2	163.6	-42.3	-11.3	0	0	0	117.2
118	E	35.8	Very low	33.9	Very low	171 Å²	171	135.9 Å²	135.9	80%	0.799	76%	0.761	S	S	*	*			cis	179.4	152.3	-18.9	-106.9	-175.5	-178.7	0	0	102.2
119	V	38.6	Very low	33.8	Very low	103 Å²	103	134 Å²	134	62%	0.624	76%	0.759	S	S	*	*				167.8	135.9	87.1	165.4	0	0	0	0	108.3
120	F	34.8	Very low	33.7	Very low	204 Å²	204	132.6 Å²	132.6	90%	0.895	76%	0.757	S	S	*	*			trans	48.8	133.5	164.7	-58.5	-47.9	0	0	0	122.2
121	G	34.7	Very low	33.6	Very low	63 Å²	63	134.4 Å²	134.4	65%	0.649	76%	0.758	S	S	*	*			cis	171.4	158	-8	0	0	0	0	0	115.2
122	N	34.5	Very low	33.5	Very low	161 Å²	161	134.9 Å²	134.9	86%	0.861	75%	0.752	S	S	*	*			trans	60.3	138.4	156.3	-54	-9.2	0	0	0	119.6
123	S	34.3	Very low	33.4	Very low	88 Å²	88	134.7 Å²	134.7	62%	0.615	75%	0.748	S	S	*	*			cis	-163	169	-9.6	52.7	0	0	0	0	110.3
124	D	34.8	Very low	33.1	Very low	131 Å²	131	135.2 Å²	135.2	70%	0.701	75%	0.745	S	S	*	*			trans	73.3	136.3	157.4	-49.4	-41	0	0	0	119.4
125	L	33.6	Very low	32.7	Very low	129 Å²	129	133.8 Å²	133.8	68%	0.675	74%	0.744	S	S	*	*			cis	-170.2	143.3	-20.1	-148.6	66.5	0	0	0	108.6
126	F	33.6	Very low	32.6	Very low	178 Å²	178	137.5 Å²	137.5	78%	0.781	75%	0.753	S	S	*	*			trans	60	154.6	168	-62.5	-65.6	0	0	0	119.3
127	D	31	Very low	32.3	Very low	138 Å²	138	138.1 Å²	138.1	74%	0.738	76%	0.758	S	S	*	*			cis	-157.1	163.2	-40.6	-147.5	-25.6	0	0	0	108.4
128	S	26.4	Very low	32.2	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	76%	0.762	S	S	*	*			trans	-93.2	165.5	176.4	67.8	0	0	0	0	112.7
129	S	29.7	Very low	32.1	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	76%	0.764	S	S	*	*			trans	76.7	118.2	175.2	82	0	0	0	0	117.9
130	N	33.2	Very low	31.7	Very low	160 Å²	160	135.2 Å²	135.2	86%	0.856	77%	0.771	S	S	*	*				-168.4	143	114.2	-103.4	-64.7	0	0	0	112.9
131	F	29.2	Very low	31.6	Very low	190 Å²	190	129.3 Å²	129.3	83%	0.833	77%	0.768	S	S	*	*			trans	-68.5	152.9	177.3	-92.5	-115.4	0	0	0	113.1
132	K	31.5	Very low	31.5	Very low	181 Å²	181	132.3 Å²	132.3	79%	0.787	77%	0.769	S	S	*	*			trans	-176.9	109.5	132.1	-104.5	164.4	-174.6	175.5	0	113.4
133	P	28.4	Very low	31.3	Very low	107 Å²	107	132.7 Å²	132.7	70%	0.695	76%	0.763	S	S	*	*			trans	-87.7	128.2	144.8	32.7	-25.8	0	0	0	108.7
134	L	31.6	Very low	31.2	Very low	154 Å²	154	135.9 Å²	135.9	81%	0.806	77%	0.773	S	S	*	*			trans	-104.7	116.6	178.3	-98.8	162.1	0	0	0	110.9
135	N	26.2	Very low	31.2	Very low	150 Å²	150	135.2 Å²	135.2	80%	0.802	77%	0.773	S	S	*	*			trans	-70.4	145.6	171.2	-70.1	-36.3	0	0	0	111.3
136	T	33.7	Very low	30.8	Very low	147 Å²	147	135.8 Å²	135.8	90%	0.902	78%	0.777	S	S	*	*			trans	-133	117.4	147.9	47.2	0	0	0	0	109.4
137	S	26.2	Very low	30.6	Very low	112 Å²	112	133.2 Å²	133.2	78%	0.783	78%	0.781	S	S	*	*			trans	-91.5	140	-175.4	51.6	0	0	0	0	112.9
138	V	33.9	Very low	30.3	Very low	137 Å²	137	132.7 Å²	132.7	83%	0.83	78%	0.782	S	S	*	*			trans	-140.3	122	148.9	-177.2	0	0	0	0	109.5
139	V	34.6	Very low	30.4	Very low	138 Å²	138	135.9 Å²	135.9	84%	0.836	79%	0.791	S	S	*	*			trans	2.1	133.4	147.6	-165.5	0	0	0	0	116.1
140	G	30.8	Very low	30.1	Very low	75 Å²	75	136 Å²	136	77%	0.773	79%	0.792	S	S	*	*			cis	124.1	124.4	15.6	0	0	0	0	0	110
141	G	32.5	Very low	30	Very low	81 Å²	81	134.8 Å²	134.8	84%	0.835	79%	0.79	S	S	*	*			trans	152.3	106.5	178.5	0	0	0	0	0	115.4
142	D	31.8	Very low	29.9	Very low	126 Å²	126	133 Å²	133	67%	0.674	79%	0.789	S	S	*	*			trans	-51.5	150.5	-176.8	-79	-78.6	0	0	0	120.7
143	K	30.1	Very low	29.7	Very low	169 Å²	169	133.9 Å²	133.9	74%	0.735	79%	0.793	S	S	*	*			trans	51.7	133.5	132.6	-56.7	168.2	-179.2	121.3	0	119.3
144	L	32.4	Very low	29.6	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	80%	0.795	S	S	*	*				-173	144.2	79.8	-91	165.3	0	0	0	113.7
145	V	34	Very low	29.3	Very low	117 Å²	117	138.1 Å²	138.1	71%	0.709	80%	0.8	S	S	*	*			trans	71.6	99.5	145	-178.2	0	0	0	0	120.8
146	D	25.9	Very low	29.4	Very low	141 Å²	141	136.8 Å²	136.8	75%	0.754	80%	0.797	S	S	*	*				8.4	135.6	129.8	-55.1	-49.7	0	0	0	121.1
147	S	28.7	Very low	29.1	Very low	123 Å²	123	137.7 Å²	137.7	86%	0.86	79%	0.791	S	S	*	*				-160.9	113.9	122.8	15.1	0	0	0	0	112.2
148	T	25.1	Very low	29.2	Very low	127 Å²	127	140.7 Å²	140.7	78%	0.779	79%	0.793	S	S	*	*			trans	-90.4	119.3	-179.3	-52.9	0	0	0	0	111.1
149	I	28.5	Very low	29.1	Very low	160 Å²	160	141.3 Å²	141.3	82%	0.821	79%	0.791	S	S	*	*			trans	-138.2	122.7	157.4	-59.3	-176.2	0	0	0	110.7	V151	I149-V151 HydrophobicContact CG2-CG2 4.17Å
150	S	24.4	Very low	29	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	79%	0.785	S	S	*	*			trans	-110.2	122.2	173.5	55.1	0	0	0	0	110.7
151	V	30.8	Very low	29.2	Very low	135 Å²	135	147.9 Å²	147.9	82%	0.818	79%	0.794	S	S	*	*			trans	-140.8	153.1	167	-174	0	0	0	0	111.5	I149	I149-V151 HydrophobicContact CG2-CG2 4.17Å
152	N	27.1	Very low	29.2	Very low	153 Å²	153	150.8 Å²	150.8	82%	0.818	79%	0.786	S	S	*	*			trans	-79	167.2	-164.7	-73.5	-67.2	0	0	0	116.9
153	K	26.4	Very low	29.4	Very low	199 Å²	199	151.8 Å²	151.8	87%	0.865	79%	0.79	S	S	*	*			trans	-38.3	133.4	161.6	-61.6	164.1	175.9	167.6	0	113.9
154	S	26.3	Very low	29.7	Very low	106 Å²	106	151 Å²	151	74%	0.741	79%	0.793	S	S	*	*				172.2	126.9	111.9	57.8	0	0	0	0	114.9
155	R	25.1	Very low	29.8	Very low	244 Å²	244	150.4 Å²	150.4	92%	0.921	79%	0.791	S	S	*	*			trans	57.9	-179.5	159	-86.5	179.6	164.4	167.6	-6.8	116.9
156	V	29.1	Very low	29.8	Very low	121 Å²	121	154.1 Å²	154.1	73%	0.733	79%	0.792	S	S	*	*			trans	72.8	138.1	178.6	-173.3	0	0	0	0	112.7
157	E	28.4	Very low	30.2	Very low	166 Å²	166	155.3 Å²	155.3	78%	0.776	80%	0.797	S	S	*	*			cis	-162	-176.8	-34.7	-116.2	145.2	-144.4	0	0	107.3
158	E	27.7	Very low	30.4	Very low	175 Å²	175	155 Å²	155	82%	0.818	79%	0.79	S	S	*	*			trans	-62	140.8	175.3	-66.4	155.5	131.3	0	0	112.1
159	L	31.7	Very low	30.5	Very low	151 Å²	151	154 Å²	154	79%	0.791	79%	0.789	S	S	*	*			trans	-143.8	87	166.8	-82.6	179	0	0	0	111.4
160	D	32.1	Very low	30.8	Very low	134 Å²	134	155.6 Å²	155.6	72%	0.717	79%	0.793	S	S	*	*			trans	34.9	97.5	131.2	-54.6	-18.6	0	0	0	119.4	E162	D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.23Å
161	F	34.5	Very low	31.3	Very low	216 Å²	216	155.5 Å²	155.5	95%	0.947	79%	0.792	S	S	*	*			trans	-91.3	54.3	153.4	-94.3	-89.5	0	0	0	110.9
162	E	33.7	Very low	31.6	Very low	143 Å²	143	154.3 Å²	154.3	67%	0.668	79%	0.787	S	S	*	*			trans	-110.3	20.1	-177.9	-143.3	-174.3	-137.8	0	0	113.7	D160	D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.23Å
163	L	36.4	Very low	31.7	Very low	147 Å²	147	152 Å²	152	77%	0.77	78%	0.783	S	S	*	*	S	Bend	trans	-118.6	5	-174.5	-90.6	173.7	0	0	0	116.4
164	L	35.6	Very low	32	Very low	152 Å²	152	148.3 Å²	148.3	80%	0.796	78%	0.777	S	S	*	*	S	Bend	trans	-103.3	-23.2	-179.5	-136	72.3	0	0	0	115.5
165	D	35	Very low	32.1	Very low	142 Å²	142	151.1 Å²	151.1	76%	0.759	78%	0.779	S	S	*	*	S	Bend	trans	-92.2	3.2	-178.3	-77.5	-36.6	0	0	0	115	L167	D165-L167 VanDerWaalsContact C-N 3.27Å; D165-L167 PolarHBondContact O-N 3.37Å
166	R	34.1	Very low	32.4	Very low	196 Å²	196	147.5 Å²	147.5	74%	0.74	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	10.7	179.2	-82	-171.2	177.3	160.1	8.5	115.5
167	L	33	Very low	32.3	Very low	165 Å²	165	146.1 Å²	146.1	86%	0.864	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.3	1.6	179.9	-72.5	174.5	0	0	0	115	D165	D165-L167 VanDerWaalsContact C-N 3.27Å; D165-L167 PolarHBondContact O-N 3.37Å
168	T	33.3	Very low	32.3	Very low	117 Å²	117	147.5 Å²	147.5	72%	0.718	77%	0.772	S	S	*	*	S	Bend	trans	-136.6	35	-172.9	53.6	0	0	0	0	115.9
169	S	27.7	Very low	32.5	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	77%	0.773	S	S	*	*			trans	-164.2	121.7	154.7	54.4	0	0	0	0	115.1
170	Q	35.5	Very low	32.6	Very low	193 Å²	193	150 Å²	150	90%	0.902	78%	0.776	S	S	*	*			trans	-135.3	96.5	151.9	-76.2	-165.4	-2.3	0	0	110.2
171	S	33.4	Very low	32.7	Very low	104 Å²	104	149.4 Å²	149.4	73%	0.727	78%	0.78	S	S	*	*			trans	-4.6	169.9	137.9	63.7	0	0	0	0	120.7
172	P	37.4	Very low	32.4	Very low	110 Å²	110	143.7 Å²	143.7	71%	0.714	77%	0.773	S	S	*	*			cis	-144.5	-168	-48.9	41.9	-24.1	0	0	0	113.2
173	S	30	Very low	32.2	Very low	105 Å²	105	146.2 Å²	146.2	73%	0.734	78%	0.781	S	S	*	*			trans	99.4	144.3	145.8	82.6	0	0	0	0	122.2
174	T	31.9	Very low	32	Very low	121 Å²	121	145.6 Å²	145.6	74%	0.742	78%	0.784	S	S	*	*			trans	93	91.3	154.1	-42.3	0	0	0	0	119.7
175	Q	29.3	Very low	31.6	Very low	164 Å²	164	144 Å²	144	77%	0.766	78%	0.781	S	S	*	*			trans	15.3	126.7	135.7	-47.8	176.9	-9.4	0	0	119.3
176	Q	31.7	Very low	31.5	Very low	168 Å²	168	143.8 Å²	143.8	79%	0.785	78%	0.784	S	S	*	*				171.4	137.7	95.9	-86.4	-169	6.3	0	0	113.6
177	S	26.5	Very low	31	Very low	92 Å²	92	138.4 Å²	138.4	64%	0.643	78%	0.777	S	S	*	*			trans	49.8	119.1	145	66	0	0	0	0	123.9
178	F	26.9	Very low	30.9	Very low	195 Å²	195	137.4 Å²	137.4	86%	0.855	77%	0.771	S	S	*	*				82.6	144.1	127.1	-92.1	-97.2	0	0	0	123.4
179	Q	32.3	Very low	30.8	Very low	180 Å²	180	140.5 Å²	140.5	84%	0.841	78%	0.777	S	S	*	*			trans	80.3	102	161.5	-65.8	-179	8	0	0	121
180	K	33.6	Very low	30.8	Very low	199 Å²	199	142.5 Å²	142.5	87%	0.865	78%	0.779	S	S	*	*			trans	-54.4	152.4	140.1	-92.3	178.4	178.4	175.4	0	109.6
181	P	34.4	Very low	30.7	Very low	121 Å²	121	140.3 Å²	140.3	79%	0.786	78%	0.779	S	S	*	*				-160.3	178.4	73	44.1	-23.4	0	0	0	119.9
182	A	29.8	Very low	30.6	Very low	97 Å²	97	141.6 Å²	141.6	80%	0.802	78%	0.783	S	S	*	*			trans	80.4	141.5	141.3	0	0	0	0	0	122.8
183	K	28.5	Very low	30.5	Very low	195 Å²	195	141.6 Å²	141.6	85%	0.848	79%	0.786	S	S	*	*			trans	-70	157.7	177.4	-56	165.9	174.2	176.1	0	112.3
184	T	32.5	Very low	30.4	Very low	134 Å²	134	147.6 Å²	147.6	82%	0.822	79%	0.792	S	S	*	*			trans	-133.5	130.7	151.9	-52.3	0	0	0	0	110.4	V186	T184-V186 HydrophobicContact CG2-CG2 4.37Å
185	T	27	Very low	30.5	Very low	120 Å²	120	148.7 Å²	148.7	74%	0.736	79%	0.793	S	S	*	*			trans	-111.1	137.4	172.7	-50.7	0	0	0	0	107.9
186	V	32.5	Very low	30.6	Very low	136 Å²	136	149.8 Å²	149.8	82%	0.824	80%	0.795	S	S	*	*			trans	-138.9	136	162.8	-175.2	0	0	0	0	109.6	T184	T184-V186 HydrophobicContact CG2-CG2 4.37Å
187	S	23.8	Very low	30.6	Very low	84 Å²	84	146.8 Å²	146.8	59%	0.587	79%	0.792	S	S	*	*			trans	-148.2	173.6	176.5	55.9	0	0	0	0	109.1
188	I	30.2	Very low	31	Very low	144 Å²	144	152.5 Å²	152.5	74%	0.738	81%	0.806	S	S	*	*			trans	80.8	128.7	173.9	-48.9	153.6	0	0	0	111.2
189	Q	32.1	Very low	31.3	Very low	181 Å²	181	147.9 Å²	147.9	85%	0.846	80%	0.797	S	S	*	*			cis	-163.3	160	47.4	-146.8	141.8	34.2	0	0	113.2
190	D	26.8	Very low	31.5	Very low	149 Å²	149	145.7 Å²	145.7	80%	0.797	80%	0.797	S	S	*	*			trans	-67.9	154.3	170.8	-60.1	-77.2	0	0	0	113.8
191	T	34.3	Very low	31.4	Very low	148 Å²	148	143.4 Å²	143.4	91%	0.908	79%	0.794	S	S	*	*			trans	-166.9	151.5	134.2	12.9	0	0	0	0	112.6
192	T	30.8	Very low	31.1	Very low	130 Å²	130	145.1 Å²	145.1	80%	0.798	80%	0.796	S	S	*	*			trans	-88.9	143	-174.8	49.5	0	0	0	0	112.8
193	S	34.9	Very low	31.2	Very low	111 Å²	111	149.7 Å²	149.7	78%	0.776	80%	0.8	S	S	*	*				159.4	134.3	117	57.4	0	0	0	0	115.8
194	R	29.4	Very low	31.2	Very low	231 Å²	231	148.4 Å²	148.4	87%	0.872	80%	0.795	S	S	*	*			trans	39.6	115.6	142.5	-96.5	178.2	177.9	-171.1	1.3	118.4
195	L	33.2	Very low	31	Very low	144 Å²	144	149 Å²	149	75%	0.754	79%	0.792	S	S	*	*				-169.9	137.5	79.7	-93.7	156.5	0	0	0	113.7
196	K	32.3	Very low	31.1	Very low	187 Å²	187	148 Å²	148	81%	0.813	79%	0.79	S	S	*	*			trans	13	142.7	144.5	-58.1	174	-176	180	0	119.5
197	S	31.6	Very low	31	Very low	104 Å²	104	150.2 Å²	150.2	73%	0.727	79%	0.788	S	S	*	*			cis	178.9	140.9	-6	51.4	0	0	0	0	110.7
198	K	33.3	Very low	31.3	Very low	212 Å²	212	151.9 Å²	151.9	92%	0.922	80%	0.795	S	S	*	*			trans	-172.4	131.9	131	-103.8	166.9	-175.7	-178.4	0	110.8
199	S	34.4	Very low	31.2	Very low	98 Å²	98	149.4 Å²	149.4	69%	0.685	79%	0.787	S	S	*	*			trans	-75.9	155.8	-178.1	-151.9	0	0	0	0	110.3
200	T	35.8	Very low	31.2	Very low	134 Å²	134	145.8 Å²	145.8	82%	0.822	78%	0.781	S	S	*	*			cis	-151	166	44.8	36.5	0	0	0	0	114
201	N	31.5	Very low	31.3	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	78%	0.777	S	S	*	*			trans	-89.5	160.5	-157.7	-63.6	-52.7	0	0	0	117.8
202	L	29.1	Very low	31.1	Very low	156 Å²	156	146.2 Å²	146.2	82%	0.817	77%	0.77	S	S	*	*			trans	-60.2	157.1	152.3	-64.8	91.4	0	0	0	111.5
203	H	31.3	Very low	31	Very low	193 Å²	193	145 Å²	145	89%	0.894	77%	0.766	S	S	*	*				-151.2	145.1	121.7	-135.4	-85.2	0	0	0	114.3
204	F	27.4	Very low	30.7	Very low	169 Å²	169	144.1 Å²	144.1	74%	0.741	76%	0.76	S	S	*	*			trans	-100.8	163.6	178.7	-150.5	-124.5	0	0	0	109.5
205	L	28.8	Very low	30.6	Very low	147 Å²	147	140.3 Å²	140.3	77%	0.77	76%	0.757	S	S	*	*			trans	72.2	119.2	161.2	-75.2	159.5	0	0	0	122
206	S	28.9	Very low	30.3	Very low	97 Å²	97	139.2 Å²	139.2	68%	0.678	76%	0.76	S	S	*	*				118.2	148.3	121.2	81	0	0	0	0	119.4
207	K	31.7	Very low	30.2	Very low	184 Å²	184	135.6 Å²	135.6	80%	0.8	76%	0.759	S	S	*	*			trans	79	84.9	160.4	-62.2	175.4	-175.5	176.5	0	120.2
208	T	29.1	Very low	29.9	Very low	118 Å²	118	138.4 Å²	138.4	72%	0.724	76%	0.764	S	S	*	*				31	128.3	116.5	53	0	0	0	0	121.9
209	T	29	Very low	29.9	Very low	93 Å²	93	134 Å²	134	57%	0.571	76%	0.76	S	S	*	*			trans	80.2	147.5	143.3	61.7	0	0	0	0	121.5	K244	T209-K244 WeakPolarHBondContact OG1-CE 3.12Å; T209-K244 PolarHBondContact OG1-NZ 2.92Å
210	S	32.1	Very low	29.6	Very low	104 Å²	104	138.4 Å²	138.4	73%	0.727	77%	0.766	S	S	*	*			trans	64.1	143.2	177.4	47	0	0	0	0	116.5
211	L	28.9	Very low	29.3	Very low	135 Å²	135	140.7 Å²	140.7	71%	0.707	77%	0.773	S	S	*	*			cis	163.5	141.3	-24.3	-109.5	173.3	0	0	0	104.3
212	F	28.8	Very low	29.3	Very low	172 Å²	172	138.4 Å²	138.4	75%	0.754	78%	0.775	S	S	*	*			trans	71.9	154.5	167.7	-71.8	-71.3	0	0	0	121.5	L240	F212-L240 HydrophobicContact CZ-CD2 4.11Å
213	S	28.9	Very low	29.4	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	77%	0.77	S	S	*	*			trans	85.4	77.9	163	-173.3	0	0	0	0	119.4
214	S	28.7	Very low	29.5	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	77%	0.766	S	S	*	*				17.8	126.3	126.2	53.5	0	0	0	0	120.7
215	N	27.8	Very low	29.7	Very low	151 Å²	151	130.8 Å²	130.8	81%	0.807	77%	0.769	S	S	*	*				179.5	165.7	112.3	-90.7	-25.1	0	0	0	112.7
216	C	26.7	Very low	29.7	Very low	121 Å²	121	127.7 Å²	127.7	82%	0.818	76%	0.764	S	S	*	*			trans	70.9	140.8	174.9	-62.8	0	0	0	0	116.9
217	S	29.9	Very low	29.8	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	78%	0.775	S	S	*	*			cis	-156.8	156	-11.4	-95.3	0	0	0	0	111
218	I	26.6	Very low	29.6	Very low	162 Å²	162	132.9 Å²	132.9	83%	0.831	78%	0.778	S	S	*	*			trans	-77.6	132.9	-179	-66.1	162.9	0	0	0	111.4
219	S	33.5	Very low	29.7	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	78%	0.783	S	S	*	*			trans	-140.2	134.5	151.2	58.1	0	0	0	0	110.4
220	K	27.2	Very low	29.8	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.826	79%	0.793	S	S	*	*			trans	-87.4	139.6	-175.2	-69.3	171.7	174	174.5	0	110.9
221	L	30.3	Very low	29.7	Very low	182 Å²	182	139 Å²	139	95%	0.953	80%	0.796	S	S	*	*			trans	-147.2	133.7	140.8	-114.3	123.8	0	0	0	109.2
222	A	30.4	Very low	29.8	Very low	104 Å²	104	142.2 Å²	142.2	86%	0.86	80%	0.804	S	S	*	*			trans	-101.8	145.8	-172	0	0	0	0	0	111.2
223	G	30.9	Very low	29.7	Very low	69 Å²	69	139.3 Å²	139.3	71%	0.711	80%	0.801	S	S	*	*			trans	-179.2	80.3	179.6	0	0	0	0	0	117.1
224	I	34.2	Very low	29.9	Very low	158 Å²	158	141 Å²	141	81%	0.81	81%	0.806	S	S	*	*			trans	77.7	121.1	138.9	-59	170.3	0	0	0	119.6
225	T	32.2	Very low	29.7	Very low	132 Å²	132	143.6 Å²	143.6	81%	0.81	81%	0.813	S	S	*	*			trans	66.3	120.1	159.8	52.9	0	0	0	0	121.3
226	A	27.3	Very low	29.9	Very low	81 Å²	81	141.8 Å²	141.8	67%	0.669	81%	0.812	S	S	*	*			trans	-102.2	157.1	166.9	0	0	0	0	0	111.5
227	Y	31.3	Very low	30.1	Very low	232 Å²	232	143.1 Å²	143.1	91%	0.91	82%	0.816	S	S	*	*			trans	-136.2	112.4	155.5	-87.4	-81.6	0	0	0	108
228	D	27	Very low	30.2	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	82%	0.818	S	S	*	*			trans	-78.9	140.5	176.5	-83.7	-48	0	0	0	111.9
229	M	32.5	Very low	30.3	Very low	171 Å²	171	139.7 Å²	139.7	84%	0.842	82%	0.818	S	S	*	*			trans	-140.8	139.1	145.6	-80.9	-149.5	77.6	0	0	109.6
230	P	31.4	Very low	29.9	Very low	119 Å²	119	140.5 Å²	140.5	77%	0.773	81%	0.812	S	S	*	*			trans	-80.2	132.1	-163	30.4	-35.8	0	0	0	113.4
231	I	29.8	Very low	30.2	Very low	154 Å²	154	138.6 Å²	138.6	79%	0.79	81%	0.809	S	S	*	*			trans	-84.2	123.1	163.4	-62.5	174.8	0	0	0	107.9	T233	I231-T233 PolarHBondContact O-N 3.4Å
232	K	30.8	Very low	30	Very low	202 Å²	202	132.4 Å²	132.4	88%	0.878	79%	0.79	S	S	*	*			trans	-74.7	106.4	164.7	-79.8	-174.6	174.2	-178.6	0	109.1
233	T	26.8	Very low	30.1	Very low	111 Å²	111	138 Å²	138	68%	0.681	79%	0.79	S	S	*	*			trans	-74	139	163.7	43.1	0	0	0	0	110.2	I231	I231-T233 PolarHBondContact O-N 3.4Å
234	V	32.7	Very low	30.2	Very low	140 Å²	140	141.7 Å²	141.7	85%	0.848	79%	0.787	S	S	*	*			trans	-129.3	119.1	159.9	176.7	0	0	0	0	106
235	D	25	Very low	30.1	Very low	145 Å²	145	140.3 Å²	140.3	78%	0.775	79%	0.786	S	S	*	*			trans	-81.9	136.5	-174.7	-61.1	-60.2	0	0	0	112.4
236	S	31.7	Very low	30.5	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	78%	0.781	S	S	*	*			trans	-159.6	96.8	144.7	54.4	0	0	0	0	112.4
237	T	30.2	Very low	30.7	Very low	149 Å²	149	140.4 Å²	140.4	91%	0.914	78%	0.784	S	S	*	*			trans	-10.5	126.4	153.1	53.4	0	0	0	0	118.1
238	G	32.4	Very low	30.7	Very low	79 Å²	79	138.1 Å²	138.1	81%	0.814	78%	0.78	S	S	*	*			trans	-166.8	103.3	170.2	0	0	0	0	0	113.7
239	C	28.6	Very low	31	Very low	123 Å²	123	140 Å²	140	83%	0.831	78%	0.781	S	S	*	*			trans	-54.9	145.3	-167	-162.9	0	0	0	0	117.6
240	L	25.2	Very low	31	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	78%	0.776	S	S	*	*			trans	-77.2	132.1	165	-129.8	89.8	0	0	0	111	F212	F212-L240 HydrophobicContact CZ-CD2 4.11Å
241	I	32.6	Very low	30.9	Very low	150 Å²	150	137.4 Å²	137.4	77%	0.769	78%	0.78	S	S	*	*			trans	-151.5	137	144.7	-82.5	118.1	0	0	0	106.7	Y243	I241-Y243 HydrophobicContact CG2-CD2 4.15Å; I241-Y243 HydrophobicContact CG2-CE2 4.44Å
242	G	26.6	Very low	30.9	Very low	53 Å²	53	137.1 Å²	137.1	55%	0.546	78%	0.779	S	S	.	*			trans	-136	140	173.4	0	0	0	0	0	111.6
243	Y	33.2	Very low	30.9	Very low	221 Å²	221	135.3 Å²	135.3	87%	0.867	78%	0.776	S	S	*	*			trans	-144.2	172.3	171.5	-86	-69.8	0	0	0	112.7	I241	I241-Y243 HydrophobicContact CG2-CD2 4.15Å; I241-Y243 HydrophobicContact CG2-CE2 4.44Å
244	K	32.4	Very low	31	Very low	146 Å²	146	134.9 Å²	134.9	64%	0.635	78%	0.777	S	S	*	*			trans	-85	153.9	-155.1	-66.7	167.6	171.9	175.6	0	114.8	T209	T209-K244 WeakPolarHBondContact OG1-CE 3.12Å; T209-K244 PolarHBondContact OG1-NZ 2.92Å
245	T	32.2	Very low	30.8	Very low	130 Å²	130	132.8 Å²	132.8	80%	0.798	77%	0.768	S	S	*	*			trans	-56.2	172.1	159.8	50.3	0	0	0	0	114.5
246	P	40.6	Very low	31.3	Very low	109 Å²	109	136.5 Å²	136.5	71%	0.708	77%	0.773	S	S	*	*			cis	-142.5	-167.5	-35.8	38.8	-20.1	0	0	0	113.9
247	S	32.8	Very low	31.6	Very low	105 Å²	105	137 Å²	137	73%	0.734	77%	0.772	S	S	*	*			trans	105.6	131.9	141.7	77.7	0	0	0	0	121.5
248	F	30.7	Very low	31.8	Very low	185 Å²	185	133.7 Å²	133.7	81%	0.811	76%	0.76	S	S	*	*			trans	73.4	127.6	151	-96.3	-113.8	0	0	0	122.7
249	F	32.3	Very low	32	Very low	199 Å²	199	136.4 Å²	136.4	87%	0.873	76%	0.755	S	S	*	*			trans	72.2	139.7	157.2	-103.3	-115.1	0	0	0	120.7
250	G	32.4	Very low	32.3	Very low	71 Å²	71	139.2 Å²	139.2	73%	0.732	75%	0.753	S	S	*	*			trans	124	99.1	159.5	0	0	0	0	0	115.9
251	L	29.8	Very low	32.8	Very low	164 Å²	164	136.8 Å²	136.8	86%	0.859	75%	0.748	S	S	*	*			trans	-60.6	150	154.1	-76.5	66.6	0	0	0	109.3
252	L	31.1	Very low	33.1	Very low	148 Å²	148	139.9 Å²	139.9	78%	0.775	76%	0.756	S	S	*	*				169	124.4	96.8	-145	95.5	0	0	0	112.4
253	M	29.9	Very low	33.5	Very low	164 Å²	164	141 Å²	141	81%	0.808	77%	0.768	S	S	*	*			trans	62.7	149.7	141	-72.3	-78.9	-101.4	0	0	124.7
254	S	29	Very low	33.4	Very low	101 Å²	101	139.9 Å²	139.9	71%	0.706	77%	0.768	S	S	*	*			trans	75.9	114	158.7	-98.6	0	0	0	0	119
255	S	29.2	Very low	33.4	Very low	96 Å²	96	139.5 Å²	139.5	67%	0.671	77%	0.773	S	S	*	*				100.1	119.8	52.1	-76.8	0	0	0	0	110.7
256	Y	35.3	Very low	33.6	Very low	223 Å²	223	137 Å²	137	88%	0.875	77%	0.772	S	S	*	*			trans	-175.6	93.2	147.5	-98.7	-78.4	0	0	0	106
257	T	36.8	Very low	33.2	Very low	124 Å²	124	140 Å²	140	76%	0.761	78%	0.779	S	S	*	*				61.1	145.5	95	62.4	0	0	0	0	115.6
258	A	35.5	Very low	33.1	Very low	80 Å²	80	142.8 Å²	142.8	66%	0.661	79%	0.785	S	S	*	*			cis	-171.4	-175.9	-5.8	0	0	0	0	0	110.8
259	N	35.3	Very low	33.3	Very low	136 Å²	136	138.3 Å²	138.3	73%	0.727	78%	0.777	S	S	*	*			trans	88	135.7	174.3	-56.9	-56.3	0	0	0	115.5
260	K	35.5	Very low	33.2	Very low	181 Å²	181	139.9 Å²	139.9	79%	0.787	78%	0.777	S	S	*	*			cis	-167.3	162.7	-1.6	-101	160.6	-171.6	171.9	0	106.9
261	S	36.5	Very low	33	Very low	87 Å²	87	146.5 Å²	146.5	61%	0.608	79%	0.786	S	S	*	*			cis	179.3	151.5	-21.5	55.4	0	0	0	0	109.6
262	K	37.7	Very low	33.1	Very low	214 Å²	214	143.3 Å²	143.3	93%	0.93	78%	0.777	S	S	*	*			trans	75	137.8	-178.7	-46.7	172	-177.5	-178.1	0	113.1
263	G	35.3	Very low	32.9	Very low	78 Å²	78	144 Å²	144	80%	0.804	78%	0.781	S	S	*	*			cis	149.1	155.2	7.3	0	0	0	0	0	106.9
264	F	32.2	Very low	33	Very low	196 Å²	196	143.6 Å²	143.6	86%	0.86	78%	0.781	S	S	*	*			cis	-158.1	169	3	-171	-96.6	0	0	0	108.1
265	D	31.5	Very low	33	Very low	139 Å²	139	144.5 Å²	144.5	74%	0.743	78%	0.777	S	S	*	*			trans	-44	157.4	-165.7	-60.2	-51.8	0	0	0	121.4
266	G	35.6	Very low	32.9	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	79%	0.785	S	S	*	*			trans	-167.1	46.8	-178.4	0	0	0	0	0	119
267	M	32.9	Very low	32.4	Very low	174 Å²	174	144.8 Å²	144.8	86%	0.857	78%	0.777	S	S	*	*			trans	73.1	104.5	157.6	-155.6	173.7	75.3	0	0	120.6
268	L	30	Very low	32.1	Very low	162 Å²	162	145 Å²	145	85%	0.848	78%	0.778	S	S	*	*			trans	-68.3	133.6	157	-72.5	157.7	0	0	0	111.6
269	S	35.2	Very low	31.7	Very low	92 Å²	92	152 Å²	152	64%	0.643	79%	0.788	S	S	*	*			trans	-162.3	152.5	140.5	75.3	0	0	0	0	112.8
270	R	30.5	Very low	31.3	Very low	232 Å²	232	149.7 Å²	149.7	88%	0.875	78%	0.782	S	S	*	*			trans	77	72.3	169.3	-53.4	-176.2	-169	-164.7	1.6	117.7
271	F	28.5	Very low	31.3	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	78%	0.779	S	S	*	*			trans	-65.8	125.5	139.5	-77.4	-92.8	0	0	0	110.1
272	S	31.9	Very low	31	Very low	97 Å²	97	149 Å²	149	68%	0.678	79%	0.785	S	S	*	*			trans	-169.4	106.5	149	42.4	0	0	0	0	113.2
273	N	27.4	Very low	30.8	Very low	161 Å²	161	149.4 Å²	149.4	86%	0.861	78%	0.782	S	S	*	*			trans	30.6	92.7	145.6	-55.4	-11.8	0	0	0	119.2
274	I	32	Very low	30.6	Very low	157 Å²	157	152.1 Å²	152.1	81%	0.805	78%	0.778	S	S	*	*			trans	-133.8	92.4	152.9	-57.1	-176.6	0	0	0	111.1
275	I	28.8	Very low	30.5	Very low	120 Å²	120	153 Å²	153	62%	0.615	78%	0.777	S	S	*	*			trans	28	114.8	133.3	-54.9	173.5	0	0	0	116.8	R277	I275-R277 HydrophobicContact CG2-CG 4.05Å; I275-R277 PolarHBondContact O-N 3.44Å
276	V	26.7	Very low	30.3	Very low	139 Å²	139	154.2 Å²	154.2	84%	0.842	78%	0.783	S	S	*	*			trans	-58.3	105.7	156.9	177	0	0	0	0	108.7
277	R	25.4	Very low	30	Very low	185 Å²	185	160.4 Å²	160.4	70%	0.698	79%	0.789	S	S	*	*			trans	-108.1	97.7	170.6	-107.6	-178.3	177.3	128.4	-1.5	109.8	I275 R279	I275-R277 HydrophobicContact CG2-CG 4.05Å; I275-R277 PolarHBondContact O-N 3.44Å; R277-R279 PolarHBondContact O-N 2.99Å
278	T	28.7	Very low	29.8	Very low	129 Å²	129	156.1 Å²	156.1	79%	0.791	78%	0.781	S	S	*	*			trans	-54.8	105.1	154.4	36.2	0	0	0	0	108.5	S280	T278-S280 PolarHBondContact O-N 3.04Å
279	R	28.1	Very low	29.8	Very low	228 Å²	228	153.9 Å²	153.9	86%	0.86	78%	0.776	S	S	*	*			trans	-91.3	83.7	172.6	-80.9	-169.4	171.7	-170.3	-1.5	109.9	R277	R277-R279 PolarHBondContact O-N 2.99Å
280	S	27.3	Very low	29.4	Very low	87 Å²	87	160.8 Å²	160.8	61%	0.608	79%	0.788	S	S	*	*			trans	-66.4	132.3	151.7	47.6	0	0	0	0	108.8	T278 I282	T278-S280 PolarHBondContact O-N 3.04Å; S280-I282 VanDerWaalsContact C-N 3.31Å; S280-I282 PolarHBondContact O-N 3.48Å; S280-I282 VanDerWaalsContact O-N 3.08Å
281	P	35.8	Very low	29.5	Very low	113 Å²	113	155.7 Å²	155.7	73%	0.734	78%	0.783	S	S	*	*			trans	-82.3	79.5	171	32.7	-31.9	0	0	0	109.5	Y283	P281-Y283 VanDerWaalsContact C-N 3.3Å; P281-Y283 HydrophobicContact CB-CD2 4.43Å; P281-Y283 PolarHBondContact O-N 2.95Å
282	I	30.1	Very low	29.7	Very low	140 Å²	140	151.4 Å²	151.4	72%	0.718	77%	0.773	S	S	*	*			trans	-72.3	93.2	159	-60.7	176.2	0	0	0	106.7	S280	S280-I282 VanDerWaalsContact C-N 3.31Å; S280-I282 PolarHBondContact O-N 3.48Å; S280-I282 VanDerWaalsContact O-N 3.08Å
283	Y	32.3	Very low	29.7	Very low	223 Å²	223	151.5 Å²	151.5	88%	0.875	77%	0.774	S	S	*	*			trans	-81.1	117.4	166.3	-101.8	-81.4	0	0	0	109.4	P281 Y285	P281-Y283 VanDerWaalsContact C-N 3.3Å; P281-Y283 HydrophobicContact CB-CD2 4.43Å; P281-Y283 PolarHBondContact O-N 2.95Å; Y283-Y285 PolarHBondContact O-N 3.26Å
284	N	31.9	Very low	29.9	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	76%	0.763	S	S	*	*			trans	-65.9	130.3	179	-84	-39.6	0	0	0	112.1	L286	N284-L286 PolarHBondContact O-N 2.94Å
285	Y	28.9	Very low	29.8	Very low	215 Å²	215	148.1 Å²	148.1	84%	0.843	76%	0.763	S	S	*	*			trans	3.7	104.6	145.1	-73.4	-89.3	0	0	0	117.5	Y283	Y283-Y285 PolarHBondContact O-N 3.26Å
286	L	28	Very low	30	Very low	164 Å²	164	147.9 Å²	147.9	86%	0.859	77%	0.768	S	S	*	*			trans	-158.5	41.7	143.7	-116.5	165.9	0	0	0	113.3	N284	N284-L286 PolarHBondContact O-N 2.94Å
287	F	30	Very low	30.3	Very low	206 Å²	206	149.7 Å²	149.7	90%	0.904	76%	0.764	S	S	*	*	S	Bend	trans	-125.1	119	160.3	-87.1	-82.4	0	0	0	109.7
288	A	28.9	Very low	30.9	Very low	84 Å²	84	147.6 Å²	147.6	69%	0.694	77%	0.767	S	S	*	*			trans	-60.2	145.1	176.4	0	0	0	0	0	110.2	R290	A288-R290 PolarHBondContact O-N 3.06Å
289	P	28.7	Very low	31.5	Very low	114 Å²	114	148.1 Å²	148.1	74%	0.74	76%	0.764	S	S	*	*			trans	-63.6	107.1	165.6	28.7	-31.6	0	0	0	106.8	T291	P289-T291 PolarHBondContact O-N 2.9Å
290	R	27.7	Very low	32.2	Very low	238 Å²	238	142.7 Å²	142.7	90%	0.898	76%	0.758	S	S	*	*			trans	-66.3	90.4	155.5	-81.7	-170.7	175.1	-175.5	-0.3	105.9	A288 V292	A288-R290 PolarHBondContact O-N 3.06Å; R290-V292 VanDerWaalsContact C-N 3.28Å; R290-V292 PolarHBondContact O-N 2.92Å
291	T	32.2	Very low	32.9	Very low	125 Å²	125	146.9 Å²	146.9	77%	0.767	77%	0.768	S	S	*	*			trans	-49.1	103.8	153.1	38	0	0	0	0	106.3	P289 S293	P289-T291 PolarHBondContact O-N 2.9Å; T291-S293 VanDerWaalsContact C-N 3.29Å; T291-S293 PolarHBondContact O-N 2.68Å
292	V	32.1	Very low	33	Very low	119 Å²	119	147.4 Å²	147.4	72%	0.721	77%	0.771	S	S	*	*			trans	-61.6	106	163	176.7	0	0	0	0	103.9	R290 G294	R290-V292 VanDerWaalsContact C-N 3.28Å; R290-V292 PolarHBondContact O-N 2.92Å; V292-G294 PolarHBondContact O-N 3.47Å
293	S	32.4	Very low	33.5	Very low	99 Å²	99	150.5 Å²	150.5	69%	0.692	78%	0.78	S	S	*	*			trans	-49.2	119.4	169.7	49.3	0	0	0	0	106.8	T291 F295	T291-S293 VanDerWaalsContact C-N 3.29Å; T291-S293 PolarHBondContact O-N 2.68Å; S293-F295 PolarHBondContact O-N 3.38Å
294	G	31	Very low	33.7	Very low	62 Å²	62	146.1 Å²	146.1	64%	0.639	78%	0.776	S	S	*	*			trans	-50.1	135.9	179.4	0	0	0	0	0	109.2	V292 V296	V292-G294 PolarHBondContact O-N 3.47Å; G294-V296 VanDerWaalsContact C-N 3.27Å; G294-V296 PolarHBondContact O-N 3.24Å
295	F	31.9	Very low	33.6	Very low	185 Å²	185	149.2 Å²	149.2	81%	0.811	78%	0.783	S	S	*	*			trans	-62	92.2	177	-87.2	-92.9	0	0	0	109.1	S293 F297	S293-F295 PolarHBondContact O-N 3.38Å; F295-F297 PolarHBondContact O-N 3.46Å
296	V	32	Very low	33.9	Very low	116 Å²	116	147.7 Å²	147.7	70%	0.703	78%	0.784	S	S	*	*			trans	-70.2	107	161.5	179.6	0	0	0	0	105.6	G294 D298	G294-V296 VanDerWaalsContact C-N 3.27Å; G294-V296 PolarHBondContact O-N 3.24Å; V296-D298 VanDerWaalsContact C-N 3.31Å; V296-D298 PolarHBondContact O-N 3Å
297	F	33.2	Very low	34	Very low	176 Å²	176	151.3 Å²	151.3	77%	0.772	79%	0.786	S	S	*	*			trans	-70.1	94.6	162.5	-103.3	-93.3	0	0	0	107.3	F295 I299	F295-F297 PolarHBondContact O-N 3.46Å; F297-I299 HydrophobicContact CB-CG1 4.42Å; F297-I299 PolarHBondContact O-N 3.11Å
298	D	38.1	Very low	34.1	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	79%	0.786	S	S	*	*			trans	-67.3	89.5	161.7	-79.1	-24.4	0	0	0	107.7	V296 P300	V296-D298 VanDerWaalsContact C-N 3.31Å; V296-D298 PolarHBondContact O-N 3Å; D298-P300 VanDerWaalsContact O-CD 3.26Å; D298-P300 WeakPolarHBondContact O-CD 3.48Å
299	I	41.7	Very low	34.4	Very low	140 Å²	140	147.1 Å²	147.1	72%	0.718	79%	0.787	S	S	*	*			trans	-68.7	114.9	170.8	-60.1	171.7	0	0	0	106.6	F297 E301	F297-I299 HydrophobicContact CB-CG1 4.42Å; F297-I299 PolarHBondContact O-N 3.11Å; I299-E301 PolarHBondContact O-N 3.09Å
300	P	42	Very low	34.5	Very low	114 Å²	114	147 Å²	147	74%	0.74	79%	0.789	S	S	*	*			trans	-69.6	126.4	174.4	-9.7	25.8	0	0	0	108.5	D298	D298-P300 VanDerWaalsContact O-CD 3.26Å; D298-P300 WeakPolarHBondContact O-CD 3.48Å
301	E	42.7	Very low	34.7	Very low	175 Å²	175	144.4 Å²	144.4	82%	0.818	78%	0.784	S	S	*	*			trans	-55.6	139.7	175.2	-66.4	-176.2	147	0	0	111.1	I299 K303	I299-E301 PolarHBondContact O-N 3.09Å; E301-K303 PolarHBondContact O-N 2.87Å
302	P	38	Very low	34.8	Very low	124 Å²	124	146 Å²	146	81%	0.805	79%	0.787	S	S	*	*			trans	-71.1	102.6	-179.9	29.3	-33.5	0	0	0	109.7	T304	P302-T304 PolarHBondContact O-N 3.4Å
303	K	39.3	Very low	34.9	Very low	205 Å²	205	143.8 Å²	143.8	89%	0.891	78%	0.781	S	S	*	*			trans	-59.1	115.3	172	-72.8	-170.4	176.4	-175.9	0	109.8	E301 F305	E301-K303 PolarHBondContact O-N 2.87Å; K303-F305 PolarHBondContact O-N 3.42Å
304	T	36.9	Very low	35	Very low	130 Å²	130	144.5 Å²	144.5	80%	0.798	79%	0.786	S	S	*	*			trans	-58.4	127.3	177.7	35.5	0	0	0	0	110.8	P302 E306	P302-T304 PolarHBondContact O-N 3.4Å; T304-E306 PolarHBondContact O-N 3.01Å
305	F	29.7	Very low	35.2	Very low	200 Å²	200	147.3 Å²	147.3	88%	0.877	79%	0.791	S	S	*	*			trans	-91.3	83.7	-179.4	-152.9	-81.3	0	0	0	109.4	K303 R307	K303-F305 PolarHBondContact O-N 3.42Å; F305-R307 PolarHBondContact O-N 3Å
306	E	36.3	Very low	35.3	Very low	183 Å²	183	143.8 Å²	143.8	86%	0.855	78%	0.784	S	S	*	*			trans	-69	126.6	174.4	-76.4	-161.6	144.9	0	0	111.3	T304	T304-E306 PolarHBondContact O-N 3.01Å
307	R	29.5	Very low	35.5	Very low	240 Å²	240	143.9 Å²	143.9	91%	0.906	79%	0.785	S	S	*	*			trans	-75.7	131.1	172.4	-68.9	172.4	170.1	173.5	-3.5	109.4	F305	F305-R307 PolarHBondContact O-N 3Å
308	C	31.5	Very low	35.6	Very low	132 Å²	132	146.7 Å²	146.7	89%	0.892	79%	0.791	S	S	*	*			trans	-151.6	136.9	148.4	-152	0	0	0	0	114.1
309	G	34.8	Very low	35.5	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	79%	0.791	S	S	*	*			trans	70.8	90.4	138.2	0	0	0	0	0	118.8
310	S	31.5	Very low	35	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	80%	0.798	S	S	*	*			trans	-63	147.1	157.9	50.7	0	0	0	0	112.7
311	K	32.8	Very low	34.5	Very low	184 Å²	184	143.6 Å²	143.6	80%	0.8	79%	0.791	S	S	*	*				174.7	129	119.8	-94.9	175.6	-179.1	179.2	0	113.2
312	L	33.1	Very low	34.2	Very low	159 Å²	159	143.5 Å²	143.5	83%	0.832	79%	0.791	S	S	*	*			trans	51.9	148.3	148.5	-74.5	86.1	0	0	0	120.7
313	A	35.2	Very low	33.9	Very low	72 Å²	72	149.2 Å²	149.2	60%	0.595	80%	0.797	S	S	*	*			cis	-170.5	148.6	-18.3	0	0	0	0	0	110.3
314	S	33.6	Very low	33.4	Very low	114 Å²	114	149 Å²	149	80%	0.797	80%	0.796	S	S	*	*			trans	58.6	160.8	147	74.7	0	0	0	0	118.6
315	V	35.7	Very low	33.4	Very low	121 Å²	121	149.7 Å²	149.7	73%	0.733	80%	0.799	S	S	*	*			cis	-142.6	118.3	5.8	166.4	0	0	0	0	106.3
316	T	33.7	Very low	33.5	Very low	111 Å²	111	146.2 Å²	146.2	68%	0.681	80%	0.795	S	S	*	*				82.6	130.7	87.3	-43.3	0	0	0	0	117.2
317	T	37.1	Very low	33.3	Very low	118 Å²	118	141.2 Å²	141.2	72%	0.724	79%	0.785	S	S	*	*			trans	64.8	151	158.4	45.4	0	0	0	0	121
318	R	34.3	Very low	33.6	Very low	235 Å²	235	138.8 Å²	138.8	89%	0.887	78%	0.783	S	S	*	*			cis	-164.3	166	-28.6	-115.2	-174.1	-171.3	-178.9	2.2	107.5
319	P	36.9	Very low	33.8	Very low	118 Å²	118	136.1 Å²	136.1	77%	0.766	77%	0.77	S	S	*	*			trans	-102.9	167	-163.9	39.7	-36.6	0	0	0	115.6
320	C	29.9	Very low	33.9	Very low	126 Å²	126	141.4 Å²	141.4	85%	0.851	78%	0.781	S	S	*	*				161.6	148.5	118.2	-161.1	0	0	0	0	114.9
321	S	33	Very low	34.1	Very low	87 Å²	87	139.3 Å²	139.3	61%	0.608	78%	0.777	S	S	*	*			trans	92.4	112.2	145.5	-146.5	0	0	0	0	123
322	Q	34.6	Very low	34.5	Very low	174 Å²	174	137.8 Å²	137.8	81%	0.813	78%	0.783	S	S	*	*			trans	55.1	118.3	135.4	-62.3	175.3	14.8	0	0	122.8
323	R	33.4	Very low	34.7	Very low	244 Å²	244	135.5 Å²	135.5	92%	0.921	78%	0.778	S	S	*	*				-173.6	153.2	102.5	-105.5	174.7	170.6	162.4	-3.5	113.7
324	K	27.3	Very low	34.8	Very low	201 Å²	201	141 Å²	141	87%	0.874	79%	0.791	S	S	*	*			trans	-88.6	139.7	165.7	-69.6	174	171.2	179.5	0	110
325	V	36.7	Very low	35	Very low	144 Å²	144	140.2 Å²	140.2	87%	0.873	79%	0.791	S	S	*	*			trans	-149.1	160.8	145.6	-174.3	0	0	0	0	108.9
326	T	31.9	Very low	34.7	Very low	127 Å²	127	144.9 Å²	144.9	78%	0.779	80%	0.795	S	S	*	*			trans	-108.5	152.5	-165	45.4	0	0	0	0	116.2
327	A	33.2	Very low	34.9	Very low	78 Å²	78	145.9 Å²	145.9	65%	0.645	80%	0.804	S	S	*	*			trans	76.5	153.8	140.3	0	0	0	0	0	122.7
328	H	35.7	Very low	34.7	Very low	188 Å²	188	145.5 Å²	145.5	87%	0.87	80%	0.802	S	S	*	*			trans	71.1	147	175.8	-57.2	-85	0	0	0	117.2
329	A	34.8	Very low	34.8	Very low	76 Å²	76	143.8 Å²	143.8	63%	0.628	80%	0.804	S	S	*	*			cis	-171.1	178	-19.6	0	0	0	0	0	109.2
330	L	36.7	Very low	34.3	Very low	182 Å²	182	147.2 Å²	147.2	95%	0.953	81%	0.81	S	S	*	*			trans	78	136	171.3	-45.8	162.3	0	0	0	116.1
331	G	35.7	Very low	34.7	Very low	67 Å²	67	147.2 Å²	147.2	69%	0.691	81%	0.805	S	S	*	*			cis	165.8	161.2	-14.3	0	0	0	0	0	114.9
332	V	41.2	Very low	34.7	Very low	151 Å²	151	148.9 Å²	148.9	92%	0.915	81%	0.808	S	S	*	*			trans	89.4	141.6	149.5	176.7	0	0	0	0	117.8
333	P	38	Very low	34.5	Very low	112 Å²	112	151.3 Å²	151.3	73%	0.727	81%	0.809	S	S	*	*				-141.9	-141.2	-118.6	47.5	-28.3	0	0	0	116.6
334	Q	38	Very low	34.4	Very low	188 Å²	188	143.7 Å²	143.7	88%	0.879	80%	0.798	S	S	*	*			trans	107	141.6	175.6	-63.3	-177	8.1	0	0	114.7
335	A	37.1	Very low	34.5	Very low	96 Å²	96	141.1 Å²	141.1	79%	0.793	79%	0.794	S	S	*	*			cis	-158.1	165	-17.3	0	0	0	0	0	110.1
336	R	29.9	Very low	34.4	Very low	219 Å²	219	140.9 Å²	140.9	83%	0.826	79%	0.793	S	S	*	*			trans	-108.9	171.2	174.4	-74.1	-174.4	-179.2	172.5	-0.2	111.5
337	P	38.3	Very low	34.2	Very low	133 Å²	133	139.5 Å²	139.5	86%	0.864	79%	0.789	S	S	*	*				-130	165.6	118.7	36.4	-28.7	0	0	0	114.3
338	T	31.1	Very low	34.2	Very low	110 Å²	110	142.9 Å²	142.9	68%	0.675	80%	0.795	S	S	*	*			trans	-138.6	142	178	41.1	0	0	0	0	108.6
339	E	37.6	Very low	34	Very low	199 Å²	199	140.1 Å²	140.1	93%	0.93	79%	0.786	S	S	*	*			trans	-128.5	132.8	165.6	-71.2	-169	152	0	0	110.6
340	E	26.4	Very low	34.2	Very low	190 Å²	190	143.7 Å²	143.7	89%	0.888	80%	0.795	S	S	*	*			trans	-115.6	133.2	171.5	-64.8	-177.6	141.7	0	0	108.6
341	V	38.3	Very low	34.1	Very low	126 Å²	126	141.2 Å²	141.2	76%	0.764	78%	0.782	S	S	*	*			trans	-144.1	112.9	167.1	-179.6	0	0	0	0	111.4
342	N	33.5	Very low	34	Very low	122 Å²	122	142.4 Å²	142.4	65%	0.652	78%	0.78	S	S	*	*			trans	33.2	116.7	140.6	-63.1	-44.9	0	0	0	119.7
343	R	30.7	Very low	33.7	Very low	225 Å²	225	142.5 Å²	142.5	85%	0.849	77%	0.774	S	S	*	*				81.4	130	79.6	-87.9	-168.8	175.2	95.2	-3.3	115.8
344	A	29.7	Very low	33.6	Very low	83 Å²	83	142 Å²	142	69%	0.686	77%	0.773	S	S	*	*			trans	75.8	141	154.4	0	0	0	0	0	119
345	D	29.1	Very low	33.4	Very low	148 Å²	148	141.3 Å²	141.3	79%	0.791	77%	0.77	S	S	*	*			trans	50.2	120.5	158.6	-44.7	-29.4	0	0	0	117.4
346	T	36.1	Very low	33.2	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	77%	0.772	S	S	*	*				-157.9	136.3	61.3	33.7	0	0	0	0	113.5
347	S	26.5	Very low	33.4	Very low	99 Å²	99	143.6 Å²	143.6	69%	0.692	78%	0.775	S	S	*	*			trans	-75.7	166	151.4	51.1	0	0	0	0	110.5
348	L	33.7	Very low	32.8	Very low	148 Å²	148	143.3 Å²	143.3	78%	0.775	77%	0.771	S	S	*	*			trans	94.7	125.1	160.5	-57.5	179.2	0	0	0	119.8
349	L	32.3	Very low	33	Very low	131 Å²	131	145.5 Å²	145.5	69%	0.686	78%	0.777	S	S	*	*			trans	77.5	119.2	151.9	-51.2	152.8	0	0	0	116.2	L351	L349-L351 HydrophobicContact CB-CD1 4.33Å; L349-L351 HydrophobicContact CD2-CD1 3.22Å; L349-L351 HydrophobicContact CG-CD1 4.35Å
350	N	38	Very low	32.6	Very low	151 Å²	151	140.5 Å²	140.5	81%	0.807	76%	0.764	S	S	*	*				-142.2	131.5	61.8	-69.1	-50.9	0	0	0	111
351	L	35.2	Very low	33	Very low	129 Å²	129	136 Å²	136	68%	0.675	75%	0.754	S	S	*	*				54.1	133	75.2	-82.1	86.6	0	0	0	113.7	L349	L349-L351 HydrophobicContact CB-CD1 4.33Å; L349-L351 HydrophobicContact CD2-CD1 3.22Å; L349-L351 HydrophobicContact CG-CD1 4.35Å
352	S	33.6	Very low	32.8	Very low	93 Å²	93	138.4 Å²	138.4	65%	0.65	76%	0.756	S	S	*	*			cis	-168.1	147.3	4.9	43.7	0	0	0	0	112.4
353	L	35.1	Very low	32.8	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	76%	0.76	S	S	*	*			trans	161.7	103.2	140.2	-107.1	70.3	0	0	0	107.8
354	S	35.5	Very low	32.8	Very low	101 Å²	101	134.7 Å²	134.7	71%	0.706	76%	0.761	S	S	*	*				73.3	125.1	91.4	-63.9	0	0	0	0	114
355	Q	34.8	Very low	32.9	Very low	174 Å²	174	138.2 Å²	138.2	81%	0.813	76%	0.764	S	S	*	*			cis	-160.6	145.4	3.3	-105.7	166.9	3.2	0	0	110.9
356	K	32.5	Very low	33	Very low	190 Å²	190	141.6 Å²	141.6	83%	0.826	77%	0.765	S	S	*	*			trans	24.1	127.3	150.9	-72.2	176	171.3	177.6	0	120.6
357	L	33	Very low	32.8	Very low	173 Å²	173	139.8 Å²	139.8	91%	0.906	76%	0.758	S	S	*	*				-163.7	129.7	107.4	-101.6	164.9	0	0	0	110.5
358	T	26.1	Very low	33	Very low	127 Å²	127	142 Å²	142	78%	0.779	76%	0.762	S	S	*	*			trans	-141.2	133.3	-170.6	-33.8	0	0	0	0	111
359	I	34.9	Very low	32.9	Very low	156 Å²	156	142.9 Å²	142.9	80%	0.8	76%	0.76	S	S	*	*			trans	-146.3	86.8	166.5	-58.2	-178.5	0	0	0	105.6
360	S	30.2	Very low	32.7	Very low	94 Å²	94	145 Å²	145	66%	0.657	77%	0.771	S	S	*	*				55.4	117.6	98.7	69.4	0	0	0	0	114.2
361	S	34.1	Very low	32.6	Very low	95 Å²	95	147.4 Å²	147.4	66%	0.664	77%	0.769	S	S	*	*				178.1	158.8	66.2	51.1	0	0	0	0	113.3
362	H	34.7	Very low	32.5	Very low	177 Å²	177	147.1 Å²	147.1	82%	0.819	77%	0.773	S	S	*	*			trans	61.8	139.1	163	-63.9	-66.7	0	0	0	121
363	S	33.9	Very low	32.4	Very low	103 Å²	103	149.3 Å²	149.3	72%	0.72	79%	0.785	S	S	*	*			cis	-176	137.3	-33.2	35.5	0	0	0	0	108.5
364	D	29.2	Very low	32.3	Very low	166 Å²	166	145 Å²	145	89%	0.888	78%	0.777	S	S	*	*			trans	-70.7	146.1	179.1	-60.1	-72.5	0	0	0	114
365	E	31.9	Very low	31.9	Very low	156 Å²	156	147.7 Å²	147.7	73%	0.729	78%	0.783	S	S	*	*			trans	-160.2	145.6	144.8	-132.5	-172.4	-124.7	0	0	113.6
366	R	31.3	Very low	31.8	Very low	219 Å²	219	147.2 Å²	147.2	83%	0.826	79%	0.787	S	S	*	*			trans	93.4	111.5	158.9	-62.7	173.1	-165.7	-150.1	-5.7	120.5
367	S	33	Very low	31.7	Very low	100 Å²	100	142.9 Å²	142.9	70%	0.699	78%	0.78	S	S	*	*			trans	-83.4	169.4	169.6	48.1	0	0	0	0	113.9
368	N	30.6	Very low	31.7	Very low	145 Å²	145	139.2 Å²	139.2	78%	0.775	78%	0.775	S	S	*	*			trans	60.2	92.7	151.9	-63	-8.3	0	0	0	119.6
369	F	30.5	Very low	32	Very low	168 Å²	168	138.9 Å²	138.9	74%	0.737	77%	0.773	S	S	*	*			trans	-140.6	109.6	140.6	-105.7	-76.5	0	0	0	110.7	R371	F369-R371 HydrophobicContact CD1-CG 4.11Å; F369-R371 PolarHBondContact O-N 3.32Å
370	L	28.9	Very low	32	Very low	175 Å²	175	137.3 Å²	137.3	92%	0.916	77%	0.773	S	S	*	*			trans	-68.1	122.3	155.4	-91.2	79.2	0	0	0	107.5
371	R	34.9	Very low	32.7	Very low	201 Å²	201	137.1 Å²	137.1	76%	0.758	77%	0.771	S	S	*	*			trans	-137.7	137.4	160.7	-69	-167.2	-177.2	-161.4	1	110.8	F369	F369-R371 HydrophobicContact CD1-CG 4.11Å; F369-R371 PolarHBondContact O-N 3.32Å
372	T	33.7	Very low	33.5	Very low	124 Å²	124	141.7 Å²	141.7	76%	0.761	78%	0.779	S	S	*	*			trans	-38.6	154.2	174.8	48.3	0	0	0	0	115.7	G374	T372-G374 PolarHBondContact O-N 2.82Å
373	P	31.6	Very low	34.6	Very low	139 Å²	139	138.2 Å²	138.2	90%	0.903	77%	0.772	S	S	*	*			trans	-65.4	98.2	172.9	29.3	-34.3	0	0	0	110.3
374	G	32.2	Very low	36.1	Very low	61 Å²	61	135.8 Å²	135.8	63%	0.629	75%	0.751	S	S	*	*			trans	-96.9	132.2	177.9	0	0	0	0	0	111.5	T372 N376	T372-G374 PolarHBondContact O-N 2.82Å; G374-N376 PolarHBondContact O-N 3.01Å
375	N	27.8	Very low	37.8	Very low	158 Å²	158	133 Å²	133	85%	0.845	74%	0.736	S	S	*	*			trans	-52.9	103.8	177	-79.4	-27	0	0	0	112.7
376	N	32.1	Very low	39.7	Very low	165 Å²	165	128.7 Å²	128.7	88%	0.882	71%	0.713	S	S	*	*			trans	-102.9	71.7	151.1	-82.2	-14.2	0	0	0	108.2	G374 A378	G374-N376 PolarHBondContact O-N 3.01Å; N376-A378 VanDerWaalsContact C-N 3.28Å; N376-A378 PolarHBondContact O-N 3.49Å
377	S	31.1	Very low	41.7	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	71%	0.705	S	S	*	*			trans	-63.6	95.3	161.9	54.5	0	0	0	0	107.9	T379	S377-T379 PolarHBondContact O-N 2.89Å
378	A	34	Very low	43.8	Very low	96 Å²	96	122 Å²	122	79%	0.793	68%	0.684	S	S	*	*			trans	-55.6	109.3	165.8	0	0	0	0	0	106.8	N376	N376-A378 VanDerWaalsContact C-N 3.28Å; N376-A378 PolarHBondContact O-N 3.49Å
379	T	31.1	Very low	46.2	Very low	120 Å²	120	115.5 Å²	115.5	74%	0.736	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-50.3	132	175.8	47.7	0	0	0	0	108	S377 S381	S377-T379 PolarHBondContact O-N 2.89Å; T379-S381 PolarHBondContact O-N 3.45Å
380	P	34.5	Very low	48.5	Very low	122 Å²	122	109.1 Å²	109.1	79%	0.792	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-53.9	123.4	179.8	23	-32.8	0	0	0	107.8	K382	P380-K382 PolarHBondContact O-N 2.72Å
381	S	45.3	Very low	50.8	Low	90 Å²	90	103 Å²	103	63%	0.629	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-51.2	131.4	169.8	41.2	0	0	0	0	107.1	T379	T379-S381 PolarHBondContact O-N 3.45Å
382	K	52.3	Low	52.9	Low	192 Å²	192	95.7 Å²	95.7	84%	0.835	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-46.2	130.4	177.5	-70.6	-178.4	177.1	-178.7	0	108	P380 I384	P380-K382 PolarHBondContact O-N 2.72Å; K382-I384 PolarHBondContact O-N 2.88Å
383	P	57.5	Low	55	Low	103 Å²	103	92.4 Å²	92.4	67%	0.669	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-53	139.8	-176.2	22.7	-33.8	0	0	0	109.1	D385	P383-D385 PolarHBondContact O-N 3.01Å; P383-D385 VanDerWaalsContact O-N 3.13Å
384	I	64	Low	57.1	Low	53 Å²	53	87.9 Å²	87.9	27%	0.272	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-59.3	122.2	-175.3	-61.9	173	0	0	0	108	K382 R386 P758 D759	K382-I384 PolarHBondContact O-N 2.88Å; I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 2.88Å; I384-P758 HydrophobicContact CD1-CG 4.13Å; I384-D759 PolarHBondContact N-OD2 2.96Å
385	D	64.8	Low	59.3	Low	108 Å²	108	88.7 Å²	88.7	58%	0.578	50%	0.501	S	S	*	.			trans	-72	86.8	-177.7	-177.2	10.2	0	0	0	110.9	P383 H387 S388	P383-D385 PolarHBondContact O-N 3.01Å; P383-D385 VanDerWaalsContact O-N 3.13Å; D385-H387 PolarHBondContact O-N 2.96Å; D385-H387 WeakPolarHBondContact OD1-CB 3.46Å; D385-H387 PolarHBondContact OD1-N 2.86Å; D385-H387 VanDerWaalsContact OD1-N 3.07Å; D385-S388 PolarHBondContact O-OG 3.46Å
386	R	72.5	Confident	61.5	Low	64 Å²	64	82.9 Å²	82.9	24%	0.242	47%	0.47	C	S	.	.	H	α-helix	trans	-65.5	-19.8	177.7	-62	-168.8	-173.5	81.8	2	112.5	I384 S388 L389 V390 D757	I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 2.88Å; R386-S388 PolarHBondContact O-N 3.28Å; R386-L389 PolarHBondContact O-N 3.28Å; R386-V390 WeakPolarHBondContact O-CG2 3.26Å; R386-V390 PolarHBondContact O-N 2.81Å; R386-D757 IonicContact CZ-OD2 2.82Å; R386-D757 VanDerWaalsContact CZ-OD2 3.29Å; R386-D757 IonicContact NE-OD2 3.8Å; R386-D757 PolarHBondContact NE-OD2 3.31Å; R386-D757 VanDerWaalsContact NH2-CG 3.35Å; R386-D757 IonicContact NH2-OD2 3.84Å; R386-D757 PolarHBondContact NH2-OD2 3.39Å
387	H	74	Confident	63.2	Low	145 Å²	145	78.8 Å²	78.8	67%	0.671	45%	0.446	S	S	*	.	H	α-helix	trans	-62.9	-31.5	-177.4	-164.8	-81.9	0	0	0	111.8	D385 S391	D385-H387 PolarHBondContact O-N 2.96Å; D385-H387 WeakPolarHBondContact OD1-CB 3.46Å; D385-H387 PolarHBondContact OD1-N 2.86Å; D385-H387 VanDerWaalsContact OD1-N 3.07Å; H387-S391 VanDerWaalsContact O-CB 3.28Å; H387-S391 WeakPolarHBondContact O-CB 3.43Å; H387-S391 PolarHBondContact O-N 2.91Å
388	S	77.5	Confident	65	Low	35 Å²	35	82.5 Å²	82.5	25%	0.245	45%	0.449	C	S	.	.	H	α-helix	trans	-60.7	-45.5	172	64.8	0	0	0	0	112.8	D385 R386 S391 E392	D385-S388 PolarHBondContact O-OG 3.46Å; R386-S388 PolarHBondContact O-N 3.28Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.9Å; S388-E392 PolarHBondContact O-N 2.97Å
389	L	79.2	Confident	66.3	Low	8 Å²	8	85.1 Å²	85.1	4%	0.042	45%	0.445	C	S	.	.	H	α-helix	trans	-70.9	-39	179.6	-67.3	169	0	0	0	112.3	R386 S391 E392 Y393 A675 I682 F729	R386-L389 PolarHBondContact O-N 3.28Å; L389-S391 VanDerWaalsContact C-N 3.31Å; L389-E392 PolarHBondContact O-N 3Å; L389-Y393 WeakPolarHBondContact O-CB 3.1Å; L389-Y393 PolarHBondContact O-N 3.25Å; L389-A675 HydrophobicContact CB-CB 4.02Å; L389-A675 HydrophobicContact CD1-CB 4.19Å; L389-I682 HydrophobicContact CD2-CD1 3.75Å; L389-I682 HydrophobicContact CD2-CG2 4.2Å; L389-I682 HydrophobicContact CG-CD1 4.29Å; L389-I682 HydrophobicContact CG-CG2 4.5Å; L389-F729 HydrophobicContact CD2-CD1 3.95Å; L389-F729 HydrophobicContact CD2-CE1 4.3Å
390	V	80.1	Confident	67.5	Low	34 Å²	34	82.1 Å²	82.1	21%	0.206	43%	0.429	C	S	.	.	H	α-helix	trans	-67.3	-33.8	175	177.5	0	0	0	0	111.2	R386 S394 D646	R386-V390 WeakPolarHBondContact O-CG2 3.26Å; R386-V390 PolarHBondContact O-N 2.81Å; V390-S394 WeakPolarHBondContact O-CB 3.44Å; V390-S394 PolarHBondContact O-N 3.23Å; V390-S394 PolarHBondContact O-OG 3.35Å; V390-D646 HydrophobicContact CG2-CB 4.42Å
391	S	77.4	Confident	68.9	Low	45 Å²	45	81.4 Å²	81.4	32%	0.315	43%	0.433	S	S	.	.	H	α-helix	trans	-65.7	-48.2	171.4	-173.8	0	0	0	0	111.8	H387 S388 L389 Y393 S394 K395	H387-S391 VanDerWaalsContact O-CB 3.28Å; H387-S391 WeakPolarHBondContact O-CB 3.43Å; H387-S391 PolarHBondContact O-N 2.91Å; S388-S391 WeakPolarHBondContact O-CB 3.35Å; S388-S391 PolarHBondContact O-N 2.9Å; L389-S391 VanDerWaalsContact C-N 3.31Å; S391-Y393 PolarHBondContact O-N 3.22Å; S391-S394 WeakPolarHBondContact O-CB 3.49Å; S391-S394 PolarHBondContact O-N 3.35Å; S391-S394 VanDerWaalsContact O-N 3.11Å; S391-K395 WeakPolarHBondContact O-CG 3.43Å; S391-K395 PolarHBondContact O-N 2.89Å
392	E	77.9	Confident	70.1	Confident	48 Å²	48	81.2 Å²	81.2	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-62.4	-40.4	176.3	-70.7	-57.2	128.4	0	0	112.4	S388 L389 S394 K395 L396 I682 F729	S388-E392 PolarHBondContact O-N 2.97Å; L389-E392 PolarHBondContact O-N 3Å; E392-S394 VanDerWaalsContact C-N 3.3Å; E392-S394 PolarHBondContact O-N 3.22Å; E392-K395 PolarHBondContact O-N 2.85Å; E392-K395 IonicContact OE1-NZ 2.76Å; E392-K395 PolarHBondContact OE1-NZ 3.38Å; E392-L396 WeakPolarHBondContact O-CB 3.4Å; E392-L396 WeakPolarHBondContact O-CG 3.34Å; E392-L396 PolarHBondContact O-N 3.3Å; E392-I682 HydrophobicContact CG-CD1 3.79Å; E392-F729 HydrophobicContact CG-CE2 4.42Å; E392-F729 HydrophobicContact CG-CZ 4.37Å
393	Y	78.7	Confident	71.3	Confident	56 Å²	56	74.6 Å²	74.6	22%	0.22	39%	0.394	C	S	.	.	H	α-helix	trans	-57.1	-44.5	171.1	-179.5	-101.2	0	0	0	111.8	L389 S391 K395 L396 H397 V645 F731	L389-Y393 WeakPolarHBondContact O-CB 3.1Å; L389-Y393 PolarHBondContact O-N 3.25Å; S391-Y393 PolarHBondContact O-N 3.22Å; Y393-K395 VanDerWaalsContact C-N 3.35Å; Y393-K395 PolarHBondContact O-N 3.48Å; Y393-L396 PolarHBondContact O-N 2.93Å; Y393-H397 AromaticContact CD2-CD2 3.51Å; Y393-H397 AromaticContact CD2-NE2 3.67Å; Y393-H397 AromaticContact CE1-CD2 3.79Å; Y393-H397 AromaticContact CE2-CD2 3.13Å; Y393-H397 WeakPolarHBondContact CE2-CD2 3.11Å; Y393-H397 AromaticContact CE2-NE2 3.08Å; Y393-H397 WeakPolarHBondContact CE2-NE2 3.34Å; Y393-H397 AromaticContact CZ-CD2 3.27Å; Y393-H397 AromaticContact CZ-NE2 3.57Å; Y393-H397 PolarHBondContact O-CD2 3.04Å; Y393-H397 PolarHBondContact O-N 3.24Å; Y393-H397 VanDerWaalsContact O-N 3.09Å; Y393-V645 HydrophobicContact CD1-CB 4.33Å; Y393-V645 HydrophobicContact CD1-CG1 4.25Å; Y393-V645 HydrophobicContact CD1-CG2 4.17Å; Y393-V645 HydrophobicContact CD2-CG1 4.11Å; Y393-V645 HydrophobicContact CD2-CG2 3.95Å; Y393-V645 HydrophobicContact CE1-CB 4.44Å; Y393-V645 HydrophobicContact CE1-CG2 3.89Å; Y393-V645 HydrophobicContact CE2-CG2 3.63Å; Y393-V645 HydrophobicContact CG-CB 4.4Å; Y393-V645 HydrophobicContact CG-CG1 3.89Å; Y393-V645 HydrophobicContact CG-CG2 4.2Å; Y393-F731 HydrophobicContact CD2-CB 3.98Å; Y393-F731 AromaticContact CD2-CD1 3.55Å; Y393-F731 HydrophobicContact CD2-CD1 3.55Å; Y393-F731 AromaticContact CD2-CD2 3.95Å; Y393-F731 HydrophobicContact CD2-CD2 3.95Å; Y393-F731 AromaticContact CD2-CE1 3.97Å; Y393-F731 HydrophobicContact CD2-CE1 3.97Å; Y393-F731 HydrophobicContact CD2-CE2 4.31Å; Y393-F731 AromaticContact CD2-CG 3.55Å; Y393-F731 HydrophobicContact CD2-CG 3.55Å; Y393-F731 HydrophobicContact CD2-CZ 4.32Å; Y393-F731 HydrophobicContact CE2-CB 4.08Å; Y393-F731 HydrophobicContact CE2-CD1 4.47Å; Y393-F731 HydrophobicContact CE2-CG 4.13Å; Y393-F731 HydrophobicContact CG-CD1 4.18Å; Y393-F731 HydrophobicContact CG-CE1 4.31Å
394	S	75.9	Confident	72.3	Confident	44 Å²	44	72.9 Å²	72.9	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-36.5	178.9	-63.2	0	0	0	0	112.4	V390 S391 E392 K398	V390-S394 WeakPolarHBondContact O-CB 3.44Å; V390-S394 PolarHBondContact O-N 3.23Å; V390-S394 PolarHBondContact O-OG 3.35Å; S391-S394 WeakPolarHBondContact O-CB 3.49Å; S391-S394 PolarHBondContact O-N 3.35Å; S391-S394 VanDerWaalsContact O-N 3.11Å; E392-S394 VanDerWaalsContact C-N 3.3Å; E392-S394 PolarHBondContact O-N 3.22Å; S394-K398 VanDerWaalsContact O-CB 3.23Å; S394-K398 WeakPolarHBondContact O-CB 3.33Å; S394-K398 WeakPolarHBondContact O-CD 3.44Å; S394-K398 WeakPolarHBondContact O-CG 3.44Å; S394-K398 PolarHBondContact O-N 3.36Å
395	K	77.1	Confident	73.3	Confident	77 Å²	77	72 Å²	72	34%	0.335	37%	0.372	S	S	.	.	H	α-helix	trans	-68.1	-51.4	173.1	-66.6	173.4	-165.6	170.5	0	111.1	S391 E392 Y393 H397 K398 E399	S391-K395 WeakPolarHBondContact O-CG 3.43Å; S391-K395 PolarHBondContact O-N 2.89Å; E392-K395 PolarHBondContact O-N 2.85Å; E392-K395 IonicContact OE1-NZ 2.76Å; E392-K395 PolarHBondContact OE1-NZ 3.38Å; Y393-K395 VanDerWaalsContact C-N 3.35Å; Y393-K395 PolarHBondContact O-N 3.48Å; K395-H397 PolarHBondContact O-N 3.31Å; K395-K398 PolarHBondContact O-N 3.42Å; K395-K398 VanDerWaalsContact O-N 3.13Å; K395-E399 VanDerWaalsContact O-CB 3.32Å; K395-E399 WeakPolarHBondContact O-CB 3.32Å; K395-E399 PolarHBondContact O-N 2.96Å
396	L	74	Confident	74.4	Confident	36 Å²	36	67 Å²	67	19%	0.188	35%	0.345	C	S	.	.	H	α-helix	trans	-60.5	-30.1	-177.1	-72.5	171.8	0	0	0	113.4	E392 Y393 S400 F729 F731	E392-L396 WeakPolarHBondContact O-CB 3.4Å; E392-L396 WeakPolarHBondContact O-CG 3.34Å; E392-L396 PolarHBondContact O-N 3.3Å; Y393-L396 PolarHBondContact O-N 2.93Å; L396-S400 CarbonylContact O-C 3.6Å; L396-S400 WeakPolarHBondContact O-CB 3.28Å; L396-F729 HydrophobicContact CD1-CD2 4.43Å; L396-F731 HydrophobicContact CD1-CE2 3.74Å; L396-F731 HydrophobicContact CD1-CZ 3.85Å
397	H	69.6	Low	75.3	Confident	79 Å²	79	63.9 Å²	63.9	37%	0.366	33%	0.334	S	S	.	.	H	α-helix	trans	-95.3	-10.4	176	-71.7	-51.3	0	0	0	116.1	Y393 K395	Y393-H397 AromaticContact CD2-CD2 3.51Å; Y393-H397 AromaticContact CD2-NE2 3.67Å; Y393-H397 AromaticContact CE1-CD2 3.79Å; Y393-H397 AromaticContact CE2-CD2 3.13Å; Y393-H397 WeakPolarHBondContact CE2-CD2 3.11Å; Y393-H397 AromaticContact CE2-NE2 3.08Å; Y393-H397 WeakPolarHBondContact CE2-NE2 3.34Å; Y393-H397 AromaticContact CZ-CD2 3.27Å; Y393-H397 AromaticContact CZ-NE2 3.57Å; Y393-H397 PolarHBondContact O-CD2 3.04Å; Y393-H397 PolarHBondContact O-N 3.24Å; Y393-H397 VanDerWaalsContact O-N 3.09Å; K395-H397 PolarHBondContact O-N 3.31Å
398	K	67.2	Low	76.1	Confident	177 Å²	177	57 Å²	57	77%	0.77	30%	0.302	S	S	*	.	H	α-helix	trans	-103.9	-41.6	175.6	-68.9	176.3	-179.1	179.1	0	113	S394 K395	S394-K398 VanDerWaalsContact O-CB 3.23Å; S394-K398 WeakPolarHBondContact O-CB 3.33Å; S394-K398 WeakPolarHBondContact O-CD 3.44Å; S394-K398 WeakPolarHBondContact O-CG 3.44Å; S394-K398 PolarHBondContact O-N 3.36Å; K395-K398 PolarHBondContact O-N 3.42Å; K395-K398 VanDerWaalsContact O-N 3.13Å
399	E	61.4	Low	77	Confident	151 Å²	151	55.4 Å²	55.4	71%	0.706	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-43.9	-172.6	-57.5	173.6	175.7	0	0	111.4	K395	K395-E399 VanDerWaalsContact O-CB 3.32Å; K395-E399 WeakPolarHBondContact O-CB 3.32Å; K395-E399 PolarHBondContact O-N 2.96Å
400	S	56.9	Low	77.7	Confident	57 Å²	57	55 Å²	55	40%	0.399	29%	0.289	S	S	.	.	S	Bend	trans	-87	137.2	173.2	-63.9	0	0	0	0	110.2	L396 E402	L396-S400 CarbonylContact O-C 3.6Å; L396-S400 WeakPolarHBondContact O-CB 3.28Å; S400-E402 PolarHBondContact O-N 3.24Å
401	A	63.5	Low	78.4	Confident	107 Å²	107	53.5 Å²	53.5	88%	0.884	28%	0.279	S	S	*	.			trans	-76.9	42.3	176.3	0	0	0	0	0	112.2	K403	A401-K403 PolarHBondContact O-N 2.95Å
402	E	70	Confident	79.2	Confident	86 Å²	86	51.3 Å²	51.3	40%	0.402	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-66.3	131.1	-178	-67.8	-155	144.9	0	0	111.3	S400	S400-E402 PolarHBondContact O-N 3.24Å
403	K	77.5	Confident	79.9	Confident	54 Å²	54	50.6 Å²	50.6	24%	0.235	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-76.1	133.6	-177	-70	178.7	-179.1	179.4	0	110.2	A401 I405 E479 T480 K481 R484	A401-K403 PolarHBondContact O-N 2.95Å; K403-I405 PolarHBondContact O-N 3.46Å; K403-E479 HydrophobicContact CD-CG 3.66Å; K403-E479 WeakPolarHBondContact CD-OE1 3.16Å; K403-E479 WeakPolarHBondContact CE-OE1 3.42Å; K403-E479 IonicContact NZ-OE1 2.67Å; K403-E479 PolarHBondContact NZ-OE1 3.18Å; K403-T480 WeakPolarHBondContact CD-O 3.49Å; K403-T480 WeakPolarHBondContact CE-O 3.39Å; K403-T480 PolarHBondContact NZ-O 2.84Å; K403-K481 VanDerWaalsContact CE-O 3.32Å; K403-K481 WeakPolarHBondContact CE-O 3.37Å; K403-R484 HydrophobicContact CB-CG 4.21Å
404	Q	80.2	Confident	80.4	Confident	66 Å²	66	49.7 Å²	49.7	31%	0.308	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	134	-180	-67.7	174.4	-26.3	0	0	110.9	K483 R484	Q404-K483 CarbonylContact O-C 3.27Å; Q404-K483 WeakPolarHBondContact O-CA 3.46Å; Q404-K483 WeakPolarHBondContact O-CB 3.46Å; Q404-R484 PolarHBondContact O-N 2.96Å
405	I	84.1	Confident	81	Confident	35 Å²	35	51.7 Å²	51.7	18%	0.179	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.2	-179.6	-64.9	163.8	0	0	0	109.7	K403 R484 R643 D734	K403-I405 PolarHBondContact O-N 3.46Å; I405-R484 WeakPolarHBondContact CA-O 3.48Å; I405-R484 HydrophobicContact CG1-CB 4.16Å; I405-R643 PolarHBondContact O-NH2 3.45Å; I405-D734 WeakPolarHBondContact CD1-OD1 3.38Å
406	I	88.3	Confident	81.8	Confident	2 Å²	2	48 Å²	48	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.3	174.1	-63.1	-165.5	0	0	0	109.8	K483 R484 V485 A486 D508 A509 I638	I406-K483 HydrophobicContact CD1-CD 3.63Å; I406-K483 HydrophobicContact CG1-CD 4.27Å; I406-R484 PolarHBondContact N-O 3.07Å; I406-V485 WeakPolarHBondContact O-CA 3.36Å; I406-A486 PolarHBondContact O-N 3.16Å; I406-D508 HydrophobicContact CG2-CB 4.5Å; I406-A509 HydrophobicContact CG2-CB 4.46Å; I406-I638 HydrophobicContact CD1-CB 4.36Å; I406-I638 HydrophobicContact CD1-CG2 3.75Å; I406-I638 HydrophobicContact CG2-CG2 4.41Å
407	N	90.9	Very high	82.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	118.3	174.7	-57.6	-9.2	0	0	0	109.1	M488 Q506 D508 A509 R670 G733	N407-M488 HydrophobicContact CB-CE 3.89Å; N407-Q506 VanDerWaalsContact CB-O 3.24Å; N407-Q506 WeakPolarHBondContact CB-O 3.13Å; N407-Q506 PolarHBondContact ND2-O 3.07Å; N407-D508 PolarHBondContact N-OD2 2.92Å; N407-D508 PolarHBondContact O-N 2.77Å; N407-A509 PolarHBondContact O-N 3.15Å; N407-R670 PolarHBondContact ND2-NE 2.84Å; N407-R670 VanDerWaalsContact ND2-NE 3.13Å; N407-R670 PolarHBondContact ND2-NH2 3.01Å; N407-G733 PolarHBondContact ND2-O 2.91Å
408	L	92.1	Very high	83.8	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117	-174.6	179.9	63.3	0	0	0	110.3	V485 A486 L487 M488 A509 L511 I627	L408-V485 HydrophobicContact CB-CG1 3.76Å; L408-V485 HydrophobicContact CD2-CG1 4.06Å; L408-A486 PolarHBondContact N-O 3.33Å; L408-L487 HydrophobicContact CD2-CD1 4.17Å; L408-L487 HydrophobicContact CG-CD1 4.42Å; L408-L487 WeakPolarHBondContact O-CA 3.35Å; L408-M488 PolarHBondContact O-N 3.24Å; L408-A509 WeakPolarHBondContact CA-O 3.08Å; L408-A509 HydrophobicContact CD1-CB 4.06Å; L408-L511 HydrophobicContact CD1-CB 4.22Å; L408-I627 HydrophobicContact CD2-CD1 3.73Å; L408-I627 HydrophobicContact CD2-CG1 4.07Å; L408-I627 HydrophobicContact CD2-CG2 4.27Å
409	I	94.5	Very high	85	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	140.8	172.2	-175.5	161.5	0	0	0	111.8	M411 M488 A490 G503 A504 A507 A509 A510 L511	I409-M411 HydrophobicContact CD1-CE 3.74Å; I409-M411 HydrophobicContact CG1-CE 4.13Å; I409-M411 HydrophobicContact CG1-CG 4.16Å; I409-M411 HydrophobicContact CG2-CE 3.83Å; I409-M488 CarbonylContact C-O 3.59Å; I409-M488 WeakPolarHBondContact CA-O 3.48Å; I409-M488 HydrophobicContact CB-CB 4.36Å; I409-M488 HydrophobicContact CB-CE 4.45Å; I409-M488 HydrophobicContact CG1-CB 4.37Å; I409-A490 HydrophobicContact CD1-CB 3.9Å; I409-A490 HydrophobicContact CG1-CB 3.98Å; I409-G503 VanDerWaalsContact CD1-C 3.44Å; I409-A504 HydrophobicContact CD1-CB 4.09Å; I409-A507 HydrophobicContact CB-CB 3.81Å; I409-A507 HydrophobicContact CG2-CB 3.44Å; I409-A507 VanDerWaalsContact CG2-CB 3.44Å; I409-A509 PolarHBondContact N-O 3.18Å; I409-A509 VanDerWaalsContact N-O 3.13Å; I409-A510 HydrophobicContact CG2-CB 3.67Å; I409-A510 CarbonylContact O-C 3.13Å; I409-A510 VanDerWaalsContact O-CA 3.27Å; I409-A510 WeakPolarHBondContact O-CA 3.34Å; I409-L511 PolarHBondContact O-N 3.49Å
410	V	95.1	Very high	86.6	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.7	176.2	-171.2	0	0	0	0	109.3	K418 M422 L487 M488 A490 L511 V513	V410-K418 HydrophobicContact CG1-CB 3.99Å; V410-K418 HydrophobicContact CG1-CG 4.32Å; V410-M422 HydrophobicContact CB-CG 4.47Å; V410-M422 HydrophobicContact CG1-CG 4.22Å; V410-M422 HydrophobicContact CG2-CG 3.8Å; V410-M422 HydrophobicContact CG2-SD 3.64Å; V410-L487 HydrophobicContact CG2-CD1 3.71Å; V410-L487 HydrophobicContact CG2-CG 4.23Å; V410-M488 PolarHBondContact N-O 3.26Å; V410-A490 WeakPolarHBondContact O-CB 3.5Å; V410-A490 PolarHBondContact O-N 3.01Å; V410-L511 WeakPolarHBondContact CA-O 3.17Å; V410-L511 HydrophobicContact CG1-CD2 4.39Å; V410-L511 HydrophobicContact CG2-CB 4.47Å; V410-L511 HydrophobicContact CG2-CD2 4.38Å; V410-V513 HydrophobicContact CG1-CG2 3.67Å
411	M	94.6	Very high	88.3	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.3	-174.5	-67.7	-174.4	176.4	0	0	111.2	I409 V500 A504 L511 L512 V513 H534 A538	I409-M411 HydrophobicContact CD1-CE 3.74Å; I409-M411 HydrophobicContact CG1-CE 4.13Å; I409-M411 HydrophobicContact CG1-CG 4.16Å; I409-M411 HydrophobicContact CG2-CE 3.83Å; M411-V500 HydrophobicContact CE-CG1 3.91Å; M411-V500 HydrophobicContact CG-CG1 4.47Å; M411-V500 HydrophobicContact SD-CG1 4.48Å; M411-A504 HydrophobicContact CE-CB 3.51Å; M411-L511 PolarHBondContact N-O 2.92Å; M411-L512 HydrophobicContact CB-CD1 4.23Å; M411-L512 CarbonylContact O-C 3.58Å; M411-L512 WeakPolarHBondContact O-CA 3.46Å; M411-V513 PolarHBondContact O-N 3.08Å; M411-H534 HydrophobicContact CB-CB 4.1Å; M411-H534 HydrophobicContact SD-CB 4.06Å; M411-A538 HydrophobicContact CE-CB 4.22Å; M411-A538 HydrophobicContact SD-CB 3.99Å
412	G	93.4	Very high	89.7	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.5	-176.6	176	0	0	0	0	0	112.2	V513 H534	G412-V513 WeakPolarHBondContact CA-O 3.26Å; G412-H534 PolarHBondContact N-ND1 3.3Å; G412-H534 PolarHBondContact O-CE1 2.76Å; G412-H534 VanDerWaalsContact O-CE1 3.22Å; G412-H534 PolarHBondContact O-ND1 3.12Å
413	H	92.5	Very high	90.8	Very high	32 Å²	32	18.1 Å²	18.1	15%	0.148	10%	0.098	C	C	.	.			trans	-60.6	166.3	173.8	-164	38.6	0	0	0	111.8	A416 K418 Q530	H413-A416 HydrophobicContact CB-CB 4.16Å; H413-K418 PolarHBondContact O-NZ 3.05Å; H413-Q530 PolarHBondContact CE1-OE1 2.75Å; H413-Q530 PolarHBondContact ND1-OE1 3.03Å
414	V	89.8	Confident	91.5	Very high	37 Å²	37	15.9 Å²	15.9	22%	0.224	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-54.2	-60.3	172.9	176.1	0	0	0	0	110	A416 K418 H493	V414-A416 PolarHBondContact O-N 2.91Å; V414-A416 VanDerWaalsContact O-N 3.16Å; V414-K418 PolarHBondContact O-NZ 3.2Å; V414-H493 HydrophobicContact CG2-CB 4.36Å
415	D	89.1	Confident	92	Very high	86 Å²	86	12.9 Å²	12.9	46%	0.46	7%	0.074	S	C	.	.	G	3₁₀ helix	trans	-81.2	7.9	-173.3	-55.4	-59.9	0	0	0	115	G417 N515 K552	D415-G417 PolarHBondContact O-N 3.39Å; D415-N515 PolarHBondContact O-ND2 3.11Å; D415-K552 WeakPolarHBondContact O-CE 3.1Å; D415-K552 PolarHBondContact O-NZ 2.97Å; D415-K552 VanDerWaalsContact O-NZ 3.15Å
416	A	92.5	Very high	92.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-68.5	-10	175.8	0	0	0	0	0	113.5	H413 V414 V513 N551	H413-A416 HydrophobicContact CB-CB 4.16Å; V414-A416 PolarHBondContact O-N 2.91Å; V414-A416 VanDerWaalsContact O-N 3.16Å; A416-V513 HydrophobicContact CB-CB 4.34Å; A416-V513 HydrophobicContact CB-CG1 4.12Å; A416-V513 VanDerWaalsContact O-CG1 3.24Å; A416-V513 WeakPolarHBondContact O-CG1 3.46Å; A416-N551 PolarHBondContact O-ND2 3.05Å
417	G	91.9	Very high	92.5	Very high	17 Å²	17	12.6 Å²	12.6	18%	0.175	8%	0.075	C	C	.	.			trans	74.5	35	175.7	0	0	0	0	0	114.8	D415 T420 L421	D415-G417 PolarHBondContact O-N 3.39Å; G417-T420 PolarHBondContact O-N 3.05Å; G417-L421 VanDerWaalsContact O-CB 3.28Å; G417-L421 WeakPolarHBondContact O-CB 3.23Å; G417-L421 PolarHBondContact O-N 3.38Å
418	K	93.6	Very high	92.4	Very high	9 Å²	9	16 Å²	16	4%	0.039	9%	0.092	C	C	.	.	H	α-helix	trans	-53.3	-63.4	-178.4	-59	177.8	-56.7	-57.9	0	112.4	V410 H413 V414 T420 L421 M422 A490 V513	V410-K418 HydrophobicContact CG1-CB 3.99Å; V410-K418 HydrophobicContact CG1-CG 4.32Å; H413-K418 PolarHBondContact O-NZ 3.05Å; V414-K418 PolarHBondContact O-NZ 3.2Å; K418-T420 VanDerWaalsContact C-N 3.31Å; K418-T420 PolarHBondContact O-N 3.02Å; K418-L421 WeakPolarHBondContact O-CB 3.45Å; K418-L421 PolarHBondContact O-N 2.91Å; K418-M422 WeakPolarHBondContact O-CG 3.36Å; K418-M422 PolarHBondContact O-N 2.99Å; K418-A490 WeakPolarHBondContact CE-O 3.36Å; K418-V513 HydrophobicContact CG-CB 4.18Å; K418-V513 HydrophobicContact CG-CG2 4.22Å
419	S	93.9	Very high	92.1	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.084	10%	0.104	C	C	.	.	H	α-helix	trans	-63.1	-36.5	-177.7	-21.2	0	0	0	0	111.6	M422 G423 T470 D489	S419-M422 PolarHBondContact O-N 3.03Å; S419-G423 PolarHBondContact O-N 2.88Å; S419-T470 PolarHBondContact OG-OG1 3.5Å; S419-D489 VanDerWaalsContact CA-OD2 3.24Å; S419-D489 WeakPolarHBondContact CA-OD2 3.5Å; S419-D489 WeakPolarHBondContact CB-OD2 3.27Å; S419-D489 PolarHBondContact OG-OD2 3.13Å
420	T	93.6	Very high	91.6	Very high	27 Å²	27	21 Å²	21	17%	0.166	13%	0.132	C	C	.	.	H	α-helix	trans	-62.9	-47.4	173.6	-47.4	0	0	0	0	112.2	G417 K418 M422 N424 Y454	G417-T420 PolarHBondContact O-N 3.05Å; K418-T420 VanDerWaalsContact C-N 3.31Å; K418-T420 PolarHBondContact O-N 3.02Å; T420-M422 VanDerWaalsContact C-N 3.31Å; T420-M422 PolarHBondContact O-N 3.38Å; T420-N424 WeakPolarHBondContact O-CB 3.19Å; T420-N424 PolarHBondContact O-N 3.18Å; T420-Y454 HydrophobicContact CG2-CD2 4.16Å
421	L	94.1	Very high	91	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-41.3	177.8	-178	70	0	0	0	111.2	G417 K418 L425 V513 A549 V587 L595 L623	G417-L421 VanDerWaalsContact O-CB 3.28Å; G417-L421 WeakPolarHBondContact O-CB 3.23Å; G417-L421 PolarHBondContact O-N 3.38Å; K418-L421 WeakPolarHBondContact O-CB 3.45Å; K418-L421 PolarHBondContact O-N 2.91Å; L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.92Å; L421-V513 HydrophobicContact CD2-CG1 4.08Å; L421-V513 HydrophobicContact CD2-CG2 3.91Å; L421-A549 HydrophobicContact CD2-CB 4.33Å; L421-V587 HydrophobicContact CD1-CB 4.26Å; L421-V587 HydrophobicContact CD1-CG2 3.81Å; L421-V587 HydrophobicContact CD2-CG2 4.31Å; L421-L595 HydrophobicContact CD1-CD1 4.35Å; L421-L595 HydrophobicContact CD1-CD2 3.39Å; L421-L595 HydrophobicContact CG-CD2 4.5Å; L421-L623 HydrophobicContact CD2-CD2 4.37Å
422	M	92.8	Very high	90.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-75.5	-43.1	-179.6	-66.2	-58.8	98.8	0	0	113.2	V410 K418 S419 T420 N424 L425 L426 L458 L487 L511 L623	V410-M422 HydrophobicContact CB-CG 4.47Å; V410-M422 HydrophobicContact CG1-CG 4.22Å; V410-M422 HydrophobicContact CG2-CG 3.8Å; V410-M422 HydrophobicContact CG2-SD 3.64Å; K418-M422 WeakPolarHBondContact O-CG 3.36Å; K418-M422 PolarHBondContact O-N 2.99Å; S419-M422 PolarHBondContact O-N 3.03Å; T420-M422 VanDerWaalsContact C-N 3.31Å; T420-M422 PolarHBondContact O-N 3.38Å; M422-N424 VanDerWaalsContact C-N 3.32Å; M422-N424 PolarHBondContact O-N 2.97Å; M422-L425 HydrophobicContact CE-CD2 4.29Å; M422-L425 WeakPolarHBondContact O-CB 3.25Å; M422-L425 PolarHBondContact O-N 3.19Å; M422-L425 HydrophobicContact SD-CD2 4.45Å; M422-L426 WeakPolarHBondContact O-CG 3.48Å; M422-L426 PolarHBondContact O-N 3.07Å; M422-L458 HydrophobicContact CB-CD1 3.59Å; M422-L487 HydrophobicContact CB-CD2 3.85Å; M422-L487 HydrophobicContact CG-CD2 3.84Å; M422-L487 HydrophobicContact SD-CD1 3.53Å; M422-L487 VanDerWaalsContact SD-CD1 3.53Å; M422-L487 HydrophobicContact SD-CD2 3.77Å; M422-L487 HydrophobicContact SD-CG 4.25Å; M422-L511 HydrophobicContact CE-CD2 3.56Å; M422-L511 HydrophobicContact SD-CD2 4.25Å; M422-L623 HydrophobicContact CE-CD2 4.3Å
423	G	92.3	Very high	90.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-58.9	-43.2	173.8	0	0	0	0	0	112.1	S419 L426 C427 Y454 I457	S419-G423 PolarHBondContact O-N 2.88Å; G423-L426 PolarHBondContact O-N 3.06Å; G423-C427 PolarHBondContact O-N 2.9Å; G423-C427 PolarHBondContact O-SG 2.8Å; G423-C427 VanDerWaalsContact O-SG 3.42Å; G423-Y454 WeakPolarHBondContact CA-O 3.33Å; G423-I457 WeakPolarHBondContact O-CD1 3.39Å
424	N	92.7	Very high	90.1	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-40.2	174.7	-164.2	-3	0	0	0	111.9	T420 M422 L426 C427 L428 Y454 G589 L590 G592 L595	T420-N424 WeakPolarHBondContact O-CB 3.19Å; T420-N424 PolarHBondContact O-N 3.18Å; M422-N424 VanDerWaalsContact C-N 3.32Å; M422-N424 PolarHBondContact O-N 2.97Å; N424-L426 VanDerWaalsContact C-N 3.33Å; N424-L426 PolarHBondContact O-N 3.35Å; N424-C427 WeakPolarHBondContact O-CB 3.11Å; N424-C427 PolarHBondContact O-N 3.42Å; N424-L428 WeakPolarHBondContact O-CG 3.31Å; N424-L428 PolarHBondContact O-N 3.5Å; N424-Y454 HydrophobicContact CB-CD1 4.01Å; N424-Y454 HydrophobicContact CB-CD2 4.45Å; N424-Y454 HydrophobicContact CB-CE1 4.22Å; N424-Y454 HydrophobicContact CB-CG 4.15Å; N424-G589 WeakPolarHBondContact CB-O 3.24Å; N424-G589 PolarHBondContact ND2-O 3.39Å; N424-L590 PolarHBondContact ND2-O 3.33Å; N424-G592 WeakPolarHBondContact ND2-CA 3.39Å; N424-G592 PolarHBondContact ND2-N 2.72Å; N424-L595 HydrophobicContact CB-CD1 4.24Å
425	L	91.2	Very high	90.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-43.1	173.1	-177.6	65.7	0	0	0	112	L421 M422 L428 L429 F478 L595 V596	L421-L425 WeakPolarHBondContact O-CB 3.47Å; L421-L425 PolarHBondContact O-N 2.92Å; M422-L425 HydrophobicContact CE-CD2 4.29Å; M422-L425 WeakPolarHBondContact O-CB 3.25Å; M422-L425 PolarHBondContact O-N 3.19Å; M422-L425 HydrophobicContact SD-CD2 4.45Å; L425-L428 PolarHBondContact O-N 3.34Å; L425-L429 HydrophobicContact CD1-CD1 4.37Å; L425-L429 HydrophobicContact CG-CD1 4.13Å; L425-L429 WeakPolarHBondContact O-CB 3.21Å; L425-L429 VanDerWaalsContact O-CG 3.26Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.3Å; L425-F478 HydrophobicContact CD2-CZ 4.36Å; L425-L595 HydrophobicContact CD1-CB 4.19Å; L425-V596 HydrophobicContact CD1-CG2 4.03Å
426	L	90.9	Very high	90.2	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-66.5	-36.1	176.1	-68.9	174.1	0	0	0	112.8	M422 G423 N424 G430 H431 V432 I457 L458 T476 F478	M422-L426 WeakPolarHBondContact O-CG 3.48Å; M422-L426 PolarHBondContact O-N 3.07Å; G423-L426 PolarHBondContact O-N 3.06Å; N424-L426 VanDerWaalsContact C-N 3.33Å; N424-L426 PolarHBondContact O-N 3.35Å; L426-G430 PolarHBondContact O-N 2.83Å; L426-H431 HydrophobicContact CD2-CB 4.34Å; L426-H431 PolarHBondContact O-N 2.91Å; L426-V432 HydrophobicContact CB-CG2 4.33Å; L426-I457 HydrophobicContact CD1-CG2 4.17Å; L426-L458 HydrophobicContact CD1-CD2 3.9Å; L426-T476 HydrophobicContact CD1-CG2 4.35Å; L426-F478 HydrophobicContact CD2-CB 4.13Å; L426-F478 HydrophobicContact CD2-CD1 4.37Å
427	C	90.4	Very high	90.1	Very high	25 Å²	25	36.9 Å²	36.9	17%	0.169	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-47.9	171	-74.2	0	0	0	0	112.3	G423 N424 L429 G430 I457	G423-C427 PolarHBondContact O-N 2.9Å; G423-C427 PolarHBondContact O-SG 2.8Å; G423-C427 VanDerWaalsContact O-SG 3.42Å; N424-C427 WeakPolarHBondContact O-CB 3.11Å; N424-C427 PolarHBondContact O-N 3.42Å; C427-L429 VanDerWaalsContact C-N 3.27Å; C427-L429 PolarHBondContact O-N 2.89Å; C427-G430 PolarHBondContact O-N 2.57Å; C427-I457 WeakPolarHBondContact SG-CD1 3.47Å
428	L	88.8	Confident	90	Very high	70 Å²	70	38.5 Å²	38.5	37%	0.366	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-28	-179.6	-67.8	174.4	0	0	0	113	N424 L425 G430 L595 V596	N424-L428 WeakPolarHBondContact O-CG 3.31Å; N424-L428 PolarHBondContact O-N 3.5Å; L425-L428 PolarHBondContact O-N 3.34Å; L428-G430 VanDerWaalsContact C-N 3.27Å; L428-L595 HydrophobicContact CD1-CB 3.92Å; L428-L595 HydrophobicContact CD1-CD1 3.87Å; L428-L595 HydrophobicContact CD1-CG 4.34Å; L428-V596 HydrophobicContact CB-CG2 3.73Å; L428-V596 HydrophobicContact CD1-CG2 4.07Å
429	L	86.3	Confident	90	Very high	48 Å²	48	44.3 Å²	44.3	25%	0.251	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-8.2	171.8	-70.8	172.7	0	0	0	113.6	L425 C427 H431 F478 L624	L425-L429 HydrophobicContact CD1-CD1 4.37Å; L425-L429 HydrophobicContact CG-CD1 4.13Å; L425-L429 WeakPolarHBondContact O-CB 3.21Å; L425-L429 VanDerWaalsContact O-CG 3.26Å; L425-L429 WeakPolarHBondContact O-CG 3.45Å; L425-L429 PolarHBondContact O-N 3.3Å; C427-L429 VanDerWaalsContact C-N 3.27Å; C427-L429 PolarHBondContact O-N 2.89Å; L429-H431 VanDerWaalsContact C-N 3.33Å; L429-F478 HydrophobicContact CD1-CB 3.88Å; L429-F478 HydrophobicContact CD1-CD2 3.55Å; L429-F478 HydrophobicContact CD1-CE2 4.21Å; L429-F478 HydrophobicContact CD1-CG 3.81Å; L429-L624 HydrophobicContact CD1-CD1 4.22Å; L429-L624 HydrophobicContact CD2-CD1 4Å; L429-L624 HydrophobicContact CD2-CD2 3.71Å
430	G	84.8	Confident	89.9	Confident	58 Å²	58	46.4 Å²	46.4	60%	0.598	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	12.4	-179.3	0	0	0	0	0	115	L426 C427 L428 V432	L426-G430 PolarHBondContact O-N 2.83Å; C427-G430 PolarHBondContact O-N 2.57Å; L428-G430 VanDerWaalsContact C-N 3.27Å; G430-V432 VanDerWaalsContact C-N 3.26Å; G430-V432 PolarHBondContact O-N 2.79Å
431	H	82.6	Confident	89.7	Confident	71 Å²	71	48.6 Å²	48.6	33%	0.329	27%	0.269	S	S	.	.	S	Bend	trans	-71.4	-21.6	176.1	-75.7	-68	0	0	0	112.9	L426 L429 F478	L426-H431 HydrophobicContact CD2-CB 4.34Å; L426-H431 PolarHBondContact O-N 2.91Å; L429-H431 VanDerWaalsContact C-N 3.33Å; H431-F478 WeakPolarHBondContact NE2-CA 3.3Å; H431-F478 VanDerWaalsContact NE2-CB 3.32Å; H431-F478 WeakPolarHBondContact NE2-CB 3.32Å
432	V	85.3	Confident	89.6	Confident	22 Å²	22	56.1 Å²	56.1	13%	0.133	30%	0.297	C	S	.	.	S	Bend	trans	-113.2	127.8	175	-178.4	0	0	0	0	109.1	L426 G430 Q436 I457	L426-V432 HydrophobicContact CB-CG2 4.33Å; G430-V432 VanDerWaalsContact C-N 3.26Å; G430-V432 PolarHBondContact O-N 2.79Å; V432-Q436 HydrophobicContact CG1-CB 4.03Å; V432-I457 HydrophobicContact CG1-CD1 4.43Å; V432-I457 HydrophobicContact CG1-CG1 4.48Å; V432-I457 HydrophobicContact CG2-CD1 4.2Å; V432-I457 HydrophobicContact CG2-CG1 4.38Å; V432-I457 HydrophobicContact CG2-CG2 3.63Å
433	S	89	Confident	89.6	Confident	46 Å²	46	58 Å²	58	32%	0.322	31%	0.307	S	S	.	.			trans	-70.2	146.2	177.2	69.9	0	0	0	0	111.5	K435 Q436 L437	S433-K435 PolarHBondContact O-N 2.83Å; S433-K435 VanDerWaalsContact O-N 3.16Å; S433-Q436 VanDerWaalsContact N-OE1 3.1Å; S433-Q436 WeakPolarHBondContact O-CB 3.49Å; S433-Q436 PolarHBondContact O-N 3.45Å; S433-Q436 VanDerWaalsContact OG-CD 3.24Å; S433-Q436 VanDerWaalsContact OG-CG 3.32Å; S433-Q436 WeakPolarHBondContact OG-CG 3.42Å; S433-Q436 PolarHBondContact OG-N 2.89Å; S433-Q436 PolarHBondContact OG-OE1 3.35Å; S433-L437 PolarHBondContact O-N 3.32Å
434	S	87.3	Confident	89.5	Confident	98 Å²	98	58 Å²	58	69%	0.685	31%	0.307	S	S	*	.	H	α-helix	trans	-57.4	-30.6	176.1	54.8	0	0	0	0	113	A438	S434-A438 WeakPolarHBondContact O-CB 3.44Å; S434-A438 PolarHBondContact O-N 2.83Å
435	K	91.7	Very high	89.4	Confident	177 Å²	177	62.7 Å²	62.7	77%	0.77	33%	0.329	S	S	*	.	H	α-helix	trans	-64.9	-42.3	173.4	-65	-177.8	-179	177.5	0	112.4	S433 K439	S433-K435 PolarHBondContact O-N 2.83Å; S433-K435 VanDerWaalsContact O-N 3.16Å; K435-K439 PolarHBondContact O-N 2.83Å; K435-K439 VanDerWaalsContact O-N 3.1Å
436	Q	89.1	Confident	89.4	Confident	50 Å²	50	69.1 Å²	69.1	23%	0.234	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-44.3	175.5	-76	159.6	-42.6	0	0	111.1	V432 S433 A438 K439 Y440 L718	V432-Q436 HydrophobicContact CG1-CB 4.03Å; S433-Q436 VanDerWaalsContact N-OE1 3.1Å; S433-Q436 WeakPolarHBondContact O-CB 3.49Å; S433-Q436 PolarHBondContact O-N 3.45Å; S433-Q436 VanDerWaalsContact OG-CD 3.24Å; S433-Q436 VanDerWaalsContact OG-CG 3.32Å; S433-Q436 WeakPolarHBondContact OG-CG 3.42Å; S433-Q436 PolarHBondContact OG-N 2.89Å; S433-Q436 PolarHBondContact OG-OE1 3.35Å; Q436-A438 PolarHBondContact O-N 3.4Å; Q436-K439 WeakPolarHBondContact O-CB 3.29Å; Q436-K439 PolarHBondContact O-N 3.43Å; Q436-K439 VanDerWaalsContact O-N 3.15Å; Q436-Y440 HydrophobicContact CB-CE2 4.19Å; Q436-Y440 WeakPolarHBondContact O-CD2 3.2Å; Q436-Y440 PolarHBondContact O-N 2.95Å; Q436-L718 PolarHBondContact NE2-O 2.95Å; Q436-L718 VanDerWaalsContact NE2-O 3.09Å
437	L	89.3	Confident	89.3	Confident	27 Å²	27	72.9 Å²	72.9	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-59.5	-44.5	176	-178.4	64.8	0	0	0	111.9	S433 K439 Y440 Q441 Y454 I457	S433-L437 PolarHBondContact O-N 3.32Å; L437-K439 VanDerWaalsContact C-N 3.3Å; L437-K439 PolarHBondContact O-N 3.2Å; L437-Y440 PolarHBondContact O-N 3.07Å; L437-Q441 WeakPolarHBondContact O-CG 3.39Å; L437-Q441 PolarHBondContact O-N 3.37Å; L437-Y454 HydrophobicContact CD1-CD1 3.99Å; L437-Y454 HydrophobicContact CD1-CE1 4.08Å; L437-Y454 HydrophobicContact CD2-CE1 4.09Å; L437-I457 HydrophobicContact CD1-CD1 4.32Å
438	A	91.2	Very high	89.2	Confident	51 Å²	51	75.1 Å²	75.1	42%	0.421	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-36.9	176	0	0	0	0	0	112.5	S434 Q436 Q441 W442	S434-A438 WeakPolarHBondContact O-CB 3.44Å; S434-A438 PolarHBondContact O-N 2.83Å; Q436-A438 PolarHBondContact O-N 3.4Å; A438-Q441 PolarHBondContact O-N 2.94Å; A438-W442 WeakPolarHBondContact O-CB 3.41Å; A438-W442 PolarHBondContact O-N 2.92Å
439	K	92.2	Very high	89	Confident	132 Å²	132	73.8 Å²	73.8	57%	0.574	40%	0.395	S	S	*	.	H	α-helix	trans	-63.4	-47.5	172.2	-176.5	-176.2	175.2	-174.3	0	111.5	K435 Q436 L437 Q441 W442 D443	K435-K439 PolarHBondContact O-N 2.83Å; K435-K439 VanDerWaalsContact O-N 3.1Å; Q436-K439 WeakPolarHBondContact O-CB 3.29Å; Q436-K439 PolarHBondContact O-N 3.43Å; Q436-K439 VanDerWaalsContact O-N 3.15Å; L437-K439 VanDerWaalsContact C-N 3.3Å; L437-K439 PolarHBondContact O-N 3.2Å; K439-Q441 VanDerWaalsContact C-N 3.33Å; K439-Q441 PolarHBondContact O-N 2.95Å; K439-W442 PolarHBondContact O-N 3.35Å; K439-D443 WeakPolarHBondContact CE-OD2 3.34Å; K439-D443 WeakPolarHBondContact CG-OD2 3.45Å; K439-D443 PolarHBondContact O-N 3.26Å
440	Y	92	Very high	88.8	Confident	56 Å²	56	74 Å²	74	22%	0.22	40%	0.404	C	S	.	.	H	α-helix	trans	-63.6	-37.2	177.6	-61.9	-46.4	0	0	0	112.4	Q436 L437 A444 W456 I457	Q436-Y440 HydrophobicContact CB-CE2 4.19Å; Q436-Y440 WeakPolarHBondContact O-CD2 3.2Å; Q436-Y440 PolarHBondContact O-N 2.95Å; L437-Y440 PolarHBondContact O-N 3.07Å; Y440-A444 WeakPolarHBondContact O-CB 3.12Å; Y440-A444 PolarHBondContact O-N 2.81Å; Y440-W456 HydrophobicContact CD1-CE3 4.41Å; Y440-W456 HydrophobicContact CG-CB 4.38Å; Y440-I457 HydrophobicContact CD2-CG1 4.16Å; Y440-I457 HydrophobicContact CE2-CG1 4.3Å
441	Q	90.8	Very high	88.7	Confident	73 Å²	73	75.1 Å²	75.1	34%	0.341	40%	0.402	S	S	.	.	H	α-helix	trans	-60	-45.7	172	-73.7	172	-10.7	0	0	111.8	L437 A438 K439 Q445 A453	L437-Q441 WeakPolarHBondContact O-CG 3.39Å; L437-Q441 PolarHBondContact O-N 3.37Å; A438-Q441 PolarHBondContact O-N 2.94Å; K439-Q441 VanDerWaalsContact C-N 3.33Å; K439-Q441 PolarHBondContact O-N 2.95Å; Q441-Q445 WeakPolarHBondContact O-CB 3.36Å; Q441-Q445 WeakPolarHBondContact O-CG 3.44Å; Q441-Q445 PolarHBondContact O-N 3.42Å; Q441-A453 HydrophobicContact CB-CB 4.23Å; Q441-A453 HydrophobicContact CG-CB 3.44Å; Q441-A453 VanDerWaalsContact CG-CB 3.44Å
442	W	91.8	Very high	88.8	Confident	157 Å²	157	75.3 Å²	75.3	60%	0.595	40%	0.402	S	S	*	.	H	α-helix	trans	-65.5	-46.3	178.3	-177.1	-108.7	0	0	0	112.7	A438 K439 Q445 K446	A438-W442 WeakPolarHBondContact O-CB 3.41Å; A438-W442 PolarHBondContact O-N 2.92Å; K439-W442 PolarHBondContact O-N 3.35Å; W442-Q445 WeakPolarHBondContact O-CB 3.38Å; W442-Q445 PolarHBondContact O-N 2.88Å; W442-K446 PolarHBondContact O-N 3.39Å; W442-K446 VanDerWaalsContact O-N 3.14Å
443	D	90.9	Very high	89	Confident	41 Å²	41	74.5 Å²	74.5	22%	0.219	40%	0.398	C	S	.	.	H	α-helix	trans	-70.8	-32.2	179.8	-67	-29.8	0	0	0	111.6	K439 K446 L447 W456	K439-D443 WeakPolarHBondContact CE-OD2 3.34Å; K439-D443 WeakPolarHBondContact CG-OD2 3.45Å; K439-D443 PolarHBondContact O-N 3.26Å; D443-K446 PolarHBondContact O-N 3.41Å; D443-K446 IonicContact OD1-NZ 3.51Å; D443-K446 PolarHBondContact OD1-NZ 3.37Å; D443-L447 PolarHBondContact O-N 2.95Å; D443-W456 VanDerWaalsContact C-CH2 3.49Å; D443-W456 HydrophobicContact CB-CH2 4.32Å; D443-W456 HydrophobicContact CB-CZ3 3.66Å; D443-W456 WeakPolarHBondContact O-CH2 3.16Å
444	A	90.6	Very high	89.1	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-69.6	-36	171.6	0	0	0	0	0	112.7	Y440 L447 G448 K449 A450 W456	Y440-A444 WeakPolarHBondContact O-CB 3.12Å; Y440-A444 PolarHBondContact O-N 2.81Å; A444-L447 PolarHBondContact O-N 3.01Å; A444-G448 PolarHBondContact O-N 3.12Å; A444-K449 CarbonylContact O-C 3.5Å; A444-K449 WeakPolarHBondContact O-CA 3.4Å; A444-K449 PolarHBondContact O-N 3.4Å; A444-A450 PolarHBondContact O-N 3.46Å; A444-W456 VanDerWaalsContact CA-CH2 3.49Å; A444-W456 HydrophobicContact CB-CD2 4.06Å; A444-W456 HydrophobicContact CB-CE3 4.32Å; A444-W456 HydrophobicContact CB-CH2 4.07Å; A444-W456 HydrophobicContact CB-CZ2 3.77Å; A444-W456 HydrophobicContact CB-CZ3 4.34Å
445	Q	91.4	Very high	89.4	Confident	105 Å²	105	70.2 Å²	70.2	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-41.7	172.4	-79	165.7	7.2	0	0	111.9	Q441 W442 L447 G448 A450	Q441-Q445 WeakPolarHBondContact O-CB 3.36Å; Q441-Q445 WeakPolarHBondContact O-CG 3.44Å; Q441-Q445 PolarHBondContact O-N 3.42Å; W442-Q445 WeakPolarHBondContact O-CB 3.38Å; W442-Q445 PolarHBondContact O-N 2.88Å; Q445-L447 VanDerWaalsContact C-N 3.28Å; Q445-L447 PolarHBondContact O-N 3.4Å; Q445-G448 PolarHBondContact O-N 3.46Å; Q445-A450 HydrophobicContact CG-CB 3.58Å
446	K	91	Very high	89.4	Confident	137 Å²	137	62.3 Å²	62.3	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-59.2	-35.8	176.2	-69	173.2	-171.6	158.5	0	113.6	W442 D443 G448	W442-K446 PolarHBondContact O-N 3.39Å; W442-K446 VanDerWaalsContact O-N 3.14Å; D443-K446 PolarHBondContact O-N 3.41Å; D443-K446 IonicContact OD1-NZ 3.51Å; D443-K446 PolarHBondContact OD1-NZ 3.37Å; K446-G448 VanDerWaalsContact C-N 3.26Å; K446-G448 PolarHBondContact O-N 2.96Å
447	L	88.7	Confident	89.4	Confident	87 Å²	87	60.7 Å²	60.7	46%	0.455	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	10.8	176.8	-63.1	-173.2	0	0	0	113.4	D443 A444 Q445 K449 W456	D443-L447 PolarHBondContact O-N 2.95Å; A444-L447 PolarHBondContact O-N 3.01Å; Q445-L447 VanDerWaalsContact C-N 3.28Å; Q445-L447 PolarHBondContact O-N 3.4Å; L447-K449 PolarHBondContact O-N 2.76Å; L447-W456 HydrophobicContact CD1-CH2 3.67Å; L447-W456 HydrophobicContact CD1-CZ2 3.87Å; L447-W456 HydrophobicContact CG-CH2 4.25Å
448	G	88.1	Confident	89.5	Confident	72 Å²	72	59.5 Å²	59.5	74%	0.742	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	13.2	-177.3	0	0	0	0	0	114.5	A444 Q445 K446	A444-G448 PolarHBondContact O-N 3.12Å; Q445-G448 PolarHBondContact O-N 3.46Å; K446-G448 VanDerWaalsContact C-N 3.26Å; K446-G448 PolarHBondContact O-N 2.96Å
449	K	86	Confident	89.5	Confident	42 Å²	42	57.3 Å²	57.3	18%	0.183	29%	0.294	C	S	.	.			trans	-116.5	36.3	-170.5	-73.1	-167.6	-173	-172.5	0	113.5	A444 L447 S451 F452 R465 N466 R467 G468	A444-K449 CarbonylContact O-C 3.5Å; A444-K449 WeakPolarHBondContact O-CA 3.4Å; A444-K449 PolarHBondContact O-N 3.4Å; L447-K449 PolarHBondContact O-N 2.76Å; K449-S451 PolarHBondContact O-N 3.28Å; K449-F452 HydrophobicContact CB-CD2 3.82Å; K449-F452 HydrophobicContact CD-CD2 4.35Å; K449-F452 HydrophobicContact CG-CD2 4.18Å; K449-F452 HydrophobicContact CG-CE2 4.47Å; K449-F452 PolarHBondContact O-N 3.17Å; K449-R465 PolarHBondContact NZ-O 3.35Å; K449-N466 PolarHBondContact NZ-O 2.88Å; K449-R467 PolarHBondContact NZ-O 3.2Å; K449-G468 VanDerWaalsContact NZ-N 3.14Å
450	A	81.7	Confident	89.1	Confident	52 Å²	52	57.7 Å²	57.7	43%	0.43	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-50.9	-31.3	-174.4	0	0	0	0	0	115	A444 Q445 F452	A444-A450 PolarHBondContact O-N 3.46Å; Q445-A450 HydrophobicContact CG-CB 3.58Å; A450-F452 VanDerWaalsContact C-N 3.31Å; A450-F452 PolarHBondContact O-N 3.08Å
451	S	81.8	Confident	89	Confident	81 Å²	81	57.7 Å²	57.7	57%	0.566	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69	-21	178.5	49	0	0	0	0	114.8	K449	K449-S451 PolarHBondContact O-N 3.28Å
452	F	85.6	Confident	89	Confident	75 Å²	75	58.2 Å²	58.2	33%	0.329	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-91.4	8.1	-173	-64.4	-85.7	0	0	0	114.1	K449 A450 Y454 A455 W456	K449-F452 HydrophobicContact CB-CD2 3.82Å; K449-F452 HydrophobicContact CD-CD2 4.35Å; K449-F452 HydrophobicContact CG-CD2 4.18Å; K449-F452 HydrophobicContact CG-CE2 4.47Å; K449-F452 PolarHBondContact O-N 3.17Å; A450-F452 VanDerWaalsContact C-N 3.31Å; A450-F452 PolarHBondContact O-N 3.08Å; F452-Y454 PolarHBondContact O-N 3Å; F452-A455 WeakPolarHBondContact O-CB 3.48Å; F452-A455 PolarHBondContact O-N 3.33Å; F452-W456 VanDerWaalsContact O-CD1 3.24Å; F452-W456 PolarHBondContact O-N 3.39Å
453	A	89.3	Confident	88.9	Confident	6 Å²	6	55.9 Å²	55.9	5%	0.05	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-28.9	-172.3	0	0	0	0	0	115.3	Q441	Q441-A453 HydrophobicContact CB-CB 4.23Å; Q441-A453 HydrophobicContact CG-CB 3.44Å; Q441-A453 VanDerWaalsContact CG-CB 3.44Å
454	Y	91.5	Very high	89	Confident	50 Å²	50	54.3 Å²	54.3	20%	0.196	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-35.9	173.2	-65.1	-64.1	0	0	0	112.9	T420 G423 N424 L437 F452 W456 I457 L590	T420-Y454 HydrophobicContact CG2-CD2 4.16Å; G423-Y454 WeakPolarHBondContact CA-O 3.33Å; N424-Y454 HydrophobicContact CB-CD1 4.01Å; N424-Y454 HydrophobicContact CB-CD2 4.45Å; N424-Y454 HydrophobicContact CB-CE1 4.22Å; N424-Y454 HydrophobicContact CB-CG 4.15Å; L437-Y454 HydrophobicContact CD1-CD1 3.99Å; L437-Y454 HydrophobicContact CD1-CE1 4.08Å; L437-Y454 HydrophobicContact CD2-CE1 4.09Å; F452-Y454 PolarHBondContact O-N 3Å; Y454-W456 VanDerWaalsContact C-N 3.3Å; Y454-W456 PolarHBondContact O-N 2.89Å; Y454-I457 HydrophobicContact CD1-CD1 4.49Å; Y454-I457 WeakPolarHBondContact O-CB 3.36Å; Y454-I457 WeakPolarHBondContact O-CD1 3.39Å; Y454-I457 WeakPolarHBondContact O-CG1 3.46Å; Y454-I457 PolarHBondContact O-N 3.43Å; Y454-L590 HydrophobicContact CD2-CD1 4.41Å; Y454-L590 HydrophobicContact CE2-CD1 4.24Å
455	A	92.5	Very high	89	Confident	3 Å²	3	57 Å²	57	3%	0.025	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-65.9	-34.4	179.3	0	0	0	0	0	111.8	F452 I457 L458 D459	F452-A455 WeakPolarHBondContact O-CB 3.48Å; F452-A455 PolarHBondContact O-N 3.33Å; A455-I457 PolarHBondContact O-N 3.15Å; A455-L458 PolarHBondContact O-N 2.88Å; A455-D459 WeakPolarHBondContact CB-OD2 3.4Å; A455-D459 PolarHBondContact O-N 3.39Å
456	W	90.9	Very high	89	Confident	11 Å²	11	56.9 Å²	56.9	4%	0.042	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-60.5	-12.6	178	-77.5	39.6	0	0	0	115.6	Y440 D443 A444 L447 F452 Y454 L458 R465	Y440-W456 HydrophobicContact CD1-CE3 4.41Å; Y440-W456 HydrophobicContact CG-CB 4.38Å; D443-W456 VanDerWaalsContact C-CH2 3.49Å; D443-W456 HydrophobicContact CB-CH2 4.32Å; D443-W456 HydrophobicContact CB-CZ3 3.66Å; D443-W456 WeakPolarHBondContact O-CH2 3.16Å; A444-W456 VanDerWaalsContact CA-CH2 3.49Å; A444-W456 HydrophobicContact CB-CD2 4.06Å; A444-W456 HydrophobicContact CB-CE3 4.32Å; A444-W456 HydrophobicContact CB-CH2 4.07Å; A444-W456 HydrophobicContact CB-CZ2 3.77Å; A444-W456 HydrophobicContact CB-CZ3 4.34Å; L447-W456 HydrophobicContact CD1-CH2 3.67Å; L447-W456 HydrophobicContact CD1-CZ2 3.87Å; L447-W456 HydrophobicContact CG-CH2 4.25Å; F452-W456 VanDerWaalsContact O-CD1 3.24Å; F452-W456 PolarHBondContact O-N 3.39Å; Y454-W456 VanDerWaalsContact C-N 3.3Å; Y454-W456 PolarHBondContact O-N 2.89Å; W456-L458 VanDerWaalsContact C-N 3.32Å; W456-R465 HydrophobicContact CD2-CG 3.93Å; W456-R465 HydrophobicContact CE3-CG 4.35Å; W456-R465 HydrophobicContact CG-CG 4.26Å; W456-R465 HydrophobicContact CH2-CB 4.41Å; W456-R465 HydrophobicContact CZ2-CB 3.92Å; W456-R465 HydrophobicContact CZ2-CG 4.18Å; W456-R465 PolarHBondContact O-NH2 3.09Å
457	I	90.8	Very high	89	Confident	16 Å²	16	57.2 Å²	57.2	8%	0.082	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-68.1	-35.2	170.8	-64.7	166.6	0	0	0	110.8	G423 L426 C427 V432 L437 Y440 Y454 A455	G423-I457 WeakPolarHBondContact O-CD1 3.39Å; L426-I457 HydrophobicContact CD1-CG2 4.17Å; C427-I457 WeakPolarHBondContact SG-CD1 3.47Å; V432-I457 HydrophobicContact CG1-CD1 4.43Å; V432-I457 HydrophobicContact CG1-CG1 4.48Å; V432-I457 HydrophobicContact CG2-CD1 4.2Å; V432-I457 HydrophobicContact CG2-CG1 4.38Å; V432-I457 HydrophobicContact CG2-CG2 3.63Å; L437-I457 HydrophobicContact CD1-CD1 4.32Å; Y440-I457 HydrophobicContact CD2-CG1 4.16Å; Y440-I457 HydrophobicContact CE2-CG1 4.3Å; Y454-I457 HydrophobicContact CD1-CD1 4.49Å; Y454-I457 WeakPolarHBondContact O-CB 3.36Å; Y454-I457 WeakPolarHBondContact O-CD1 3.39Å; Y454-I457 WeakPolarHBondContact O-CG1 3.46Å; Y454-I457 PolarHBondContact O-N 3.43Å; A455-I457 PolarHBondContact O-N 3.15Å
458	L	90.1	Very high	89	Confident	3 Å²	3	54 Å²	54	2%	0.016	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-42.9	-177.6	-63.4	174.4	0	0	0	111.4	M422 L426 A455 W456 Q460 A474 T476 D489	M422-L458 HydrophobicContact CB-CD1 3.59Å; L426-L458 HydrophobicContact CD1-CD2 3.9Å; A455-L458 PolarHBondContact O-N 2.88Å; W456-L458 VanDerWaalsContact C-N 3.32Å; L458-Q460 PolarHBondContact O-N 2.7Å; L458-A474 HydrophobicContact CB-CB 4.05Å; L458-A474 HydrophobicContact CD2-CB 4.38Å; L458-T476 HydrophobicContact CD2-CG2 3.45Å; L458-T476 VanDerWaalsContact CD2-CG2 3.45Å; L458-D489 HydrophobicContact CD1-CB 4.11Å
459	D	90.9	Very high	89.1	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	28%	0.276	C	S	.	.			trans	-69.6	92.6	174.5	-61.8	-28.6	0	0	0	109.2	A455 E464 R465 T470	A455-D459 WeakPolarHBondContact CB-OD2 3.4Å; A455-D459 PolarHBondContact O-N 3.39Å; D459-E464 HydrophobicContact CB-CB 3.87Å; D459-R465 VanDerWaalsContact O-CZ 3.27Å; D459-R465 PolarHBondContact O-NE 2.87Å; D459-R465 PolarHBondContact O-NH2 3.49Å; D459-T470 WeakPolarHBondContact OD1-CB 3.34Å; D459-T470 PolarHBondContact OD1-OG1 2.97Å
460	Q	85.1	Confident	89.4	Confident	141 Å²	141	50.7 Å²	50.7	66%	0.659	27%	0.269	S	S	*	.			trans	-89.1	-27.9	-176.6	-71.1	-177.3	25.2	0	0	112.9	L458	L458-Q460 PolarHBondContact O-N 2.7Å
461	T	89.5	Confident	89.8	Confident	56 Å²	56	49.6 Å²	49.6	34%	0.344	26%	0.256	S	S	.	.	S	Bend	trans	-76.3	153.8	-177.3	71.6	0	0	0	0	111.9	E463 E464 R465	T461-E463 VanDerWaalsContact C-N 3.32Å; T461-E464 WeakPolarHBondContact CB-OE2 3.23Å; T461-E464 WeakPolarHBondContact CG2-OE2 3.07Å; T461-E464 PolarHBondContact N-OE2 3.28Å; T461-E464 VanDerWaalsContact OG1-CB 3.31Å; T461-E464 WeakPolarHBondContact OG1-CB 3.37Å; T461-E464 WeakPolarHBondContact OG1-CG 3.47Å; T461-E464 PolarHBondContact OG1-N 2.96Å; T461-E464 VanDerWaalsContact OG1-N 3.14Å; T461-E464 PolarHBondContact OG1-OE2 3.03Å; T461-R465 WeakPolarHBondContact O-CG 3.5Å; T461-R465 PolarHBondContact O-N 3.43Å
462	S	90.1	Very high	90.2	Very high	83 Å²	83	49.5 Å²	49.5	58%	0.58	25%	0.249	S	C	*	.	H	α-helix	trans	-66.7	-34.5	173.4	45.8	0	0	0	0	112	R465 N466	S462-R465 PolarHBondContact O-N 3.27Å; S462-N466 VanDerWaalsContact O-CB 3.24Å; S462-N466 WeakPolarHBondContact O-CB 3.41Å; S462-N466 PolarHBondContact O-N 3.04Å; S462-N466 PolarHBondContact O-OD1 3.08Å
463	E	91.2	Very high	90.4	Very high	109 Å²	109	48 Å²	48	51%	0.509	24%	0.244	S	C	.	.	H	α-helix	trans	-65.5	-44.1	178.5	-68.6	-163.7	-149.1	0	0	112.5	T461 R465 N466 R467	T461-E463 VanDerWaalsContact C-N 3.32Å; E463-R465 PolarHBondContact O-N 3.1Å; E463-N466 PolarHBondContact O-N 3.05Å; E463-R467 WeakPolarHBondContact O-CB 3.48Å; E463-R467 WeakPolarHBondContact O-CG 3.41Å; E463-R467 PolarHBondContact O-N 2.99Å; E463-R467 IonicContact OE2-CZ 3.45Å; E463-R467 IonicContact OE2-NH1 2.99Å; E463-R467 PolarHBondContact OE2-NH1 3.1Å; E463-R467 IonicContact OE2-NH2 2.74Å; E463-R467 PolarHBondContact OE2-NH2 3.16Å
464	E	91.8	Very high	90.4	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-43.1	177	-73	165.6	141.9	0	0	111.7	D459 T461 G468 V469 M471 D472	D459-E464 HydrophobicContact CB-CB 3.87Å; T461-E464 WeakPolarHBondContact CB-OE2 3.23Å; T461-E464 WeakPolarHBondContact CG2-OE2 3.07Å; T461-E464 PolarHBondContact N-OE2 3.28Å; T461-E464 VanDerWaalsContact OG1-CB 3.31Å; T461-E464 WeakPolarHBondContact OG1-CB 3.37Å; T461-E464 WeakPolarHBondContact OG1-CG 3.47Å; T461-E464 PolarHBondContact OG1-N 2.96Å; T461-E464 VanDerWaalsContact OG1-N 3.14Å; T461-E464 PolarHBondContact OG1-OE2 3.03Å; E464-G468 VanDerWaalsContact O-CA 3.29Å; E464-G468 WeakPolarHBondContact O-CA 3.47Å; E464-G468 PolarHBondContact O-N 3.44Å; E464-V469 PolarHBondContact O-N 3.13Å; E464-M471 HydrophobicContact CG-CB 3.73Å; E464-M471 HydrophobicContact CG-CG 3.53Å; E464-M471 PolarHBondContact OE1-N 2.83Å; E464-D472 PolarHBondContact OE1-N 2.95Å; E464-D472 VanDerWaalsContact OE1-N 3.15Å
465	R	90.7	Very high	90.2	Very high	57 Å²	57	48.8 Å²	48.8	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-45.1	177	-66.5	173.7	-177.6	163.7	1.5	111.6	K449 W456 D459 T461 S462 E463 R467 G468	K449-R465 PolarHBondContact NZ-O 3.35Å; W456-R465 HydrophobicContact CD2-CG 3.93Å; W456-R465 HydrophobicContact CE3-CG 4.35Å; W456-R465 HydrophobicContact CG-CG 4.26Å; W456-R465 HydrophobicContact CH2-CB 4.41Å; W456-R465 HydrophobicContact CZ2-CB 3.92Å; W456-R465 HydrophobicContact CZ2-CG 4.18Å; W456-R465 PolarHBondContact O-NH2 3.09Å; D459-R465 VanDerWaalsContact O-CZ 3.27Å; D459-R465 PolarHBondContact O-NE 2.87Å; D459-R465 PolarHBondContact O-NH2 3.49Å; T461-R465 WeakPolarHBondContact O-CG 3.5Å; T461-R465 PolarHBondContact O-N 3.43Å; S462-R465 PolarHBondContact O-N 3.27Å; E463-R465 PolarHBondContact O-N 3.1Å; R465-R467 PolarHBondContact O-N 3.42Å; R465-G468 PolarHBondContact O-N 3.21Å
466	N	91.7	Very high	90	Very high	102 Å²	102	49.8 Å²	49.8	55%	0.545	26%	0.257	S	S	.	.	H	α-helix	trans	-67.8	-33.3	-179.9	-72.3	-4.3	0	0	0	112.7	K449 S462 E463	K449-N466 PolarHBondContact NZ-O 2.88Å; S462-N466 VanDerWaalsContact O-CB 3.24Å; S462-N466 WeakPolarHBondContact O-CB 3.41Å; S462-N466 PolarHBondContact O-N 3.04Å; S462-N466 PolarHBondContact O-OD1 3.08Å; E463-N466 PolarHBondContact O-N 3.05Å
467	R	90.4	Very high	89.8	Confident	143 Å²	143	49.6 Å²	49.6	54%	0.54	26%	0.257	S	S	.	.	H	α-helix	trans	-82.6	-37.4	172	-68.5	-173.1	179.5	113.2	7.5	112.7	K449 E463 R465 M471	K449-R467 PolarHBondContact NZ-O 3.2Å; E463-R467 WeakPolarHBondContact O-CB 3.48Å; E463-R467 WeakPolarHBondContact O-CG 3.41Å; E463-R467 PolarHBondContact O-N 2.99Å; E463-R467 IonicContact OE2-CZ 3.45Å; E463-R467 IonicContact OE2-NH1 2.99Å; E463-R467 PolarHBondContact OE2-NH1 3.1Å; E463-R467 IonicContact OE2-NH2 2.74Å; E463-R467 PolarHBondContact OE2-NH2 3.16Å; R465-R467 PolarHBondContact O-N 3.42Å; R467-M471 VanDerWaalsContact NH1-CE 3.35Å
468	G	88.5	Confident	89.6	Confident	19 Å²	19	49 Å²	49	20%	0.196	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	25	-172	0	0	0	0	0	112.6	K449 E464 R465	K449-G468 VanDerWaalsContact NZ-N 3.14Å; E464-G468 VanDerWaalsContact O-CA 3.29Å; E464-G468 WeakPolarHBondContact O-CA 3.47Å; E464-G468 PolarHBondContact O-N 3.44Å; R465-G468 PolarHBondContact O-N 3.21Å
469	V	90.8	Very high	89.2	Confident	39 Å²	39	50.8 Å²	50.8	24%	0.236	26%	0.262	C	S	.	.	S	Bend	trans	-139.5	123.9	-176.6	-178.4	0	0	0	0	107.5	E464 M471	E464-V469 PolarHBondContact O-N 3.13Å; V469-M471 PolarHBondContact O-N 2.77Å
470	T	92	Very high	88.8	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.037	26%	0.264	C	S	.	.			trans	-59.2	130.6	171	-49	0	0	0	0	109.7	S419 D459 D472 P491	S419-T470 PolarHBondContact OG-OG1 3.5Å; D459-T470 WeakPolarHBondContact OD1-CB 3.34Å; D459-T470 PolarHBondContact OD1-OG1 2.97Å; T470-D472 VanDerWaalsContact CG2-O 3.3Å; T470-D472 WeakPolarHBondContact CG2-O 3.39Å; T470-P491 WeakPolarHBondContact O-CB 3.4Å
471	M	91.2	Very high	88.5	Confident	29 Å²	29	53.4 Å²	53.4	14%	0.143	27%	0.272	C	S	.	.			trans	-109.1	-47.6	-172.3	-63.8	-77.7	-59.1	0	0	110.2	E464 R467 V469 F496	E464-M471 HydrophobicContact CG-CB 3.73Å; E464-M471 HydrophobicContact CG-CG 3.53Å; E464-M471 PolarHBondContact OE1-N 2.83Å; R467-M471 VanDerWaalsContact NH1-CE 3.35Å; V469-M471 PolarHBondContact O-N 2.77Å; M471-F496 HydrophobicContact CE-CD1 4.38Å; M471-F496 HydrophobicContact CE-CE1 3.49Å; M471-F496 VanDerWaalsContact CE-CE1 3.49Å; M471-F496 HydrophobicContact CE-CE2 3.92Å; M471-F496 HydrophobicContact CE-CZ 3.24Å; M471-F496 HydrophobicContact SD-CD2 4.29Å; M471-F496 HydrophobicContact SD-CE1 4.19Å; M471-F496 HydrophobicContact SD-CE2 3.47Å; M471-F496 WeakPolarHBondContact SD-CE2 3.34Å; M471-F496 HydrophobicContact SD-CZ 3.44Å; M471-F496 WeakPolarHBondContact SD-CZ 3.47Å
472	D	90.4	Very high	88.1	Confident	79 Å²	79	52 Å²	52	42%	0.422	27%	0.265	S	S	.	.	S	Bend	trans	-111.8	170.8	-179.3	-72.4	-45.5	0	0	0	111.3	E464 T470 A474 Q499	E464-D472 PolarHBondContact OE1-N 2.95Å; E464-D472 VanDerWaalsContact OE1-N 3.15Å; T470-D472 VanDerWaalsContact CG2-O 3.3Å; T470-D472 WeakPolarHBondContact CG2-O 3.39Å; D472-A474 PolarHBondContact O-N 3.44Å; D472-Q499 PolarHBondContact OD1-NE2 3.22Å
473	I	90.3	Very high	87.7	Confident	43 Å²	43	48.1 Å²	48.1	22%	0.221	24%	0.238	C	C	.	.			trans	-85.1	110.4	-179.3	-69.8	160.1	0	0	0	110.5	Q475 M488 D489 Q499 G503	I473-Q475 HydrophobicContact CG2-CG 4.46Å; I473-Q475 PolarHBondContact O-N 2.81Å; I473-M488 HydrophobicContact CG2-CB 3.82Å; I473-M488 HydrophobicContact CG2-CG 4.08Å; I473-D489 WeakPolarHBondContact CA-O 3.37Å; I473-Q499 HydrophobicContact CD1-CB 4.34Å; I473-Q499 WeakPolarHBondContact CD1-O 3.25Å; I473-G503 VanDerWaalsContact CD1-CA 3.41Å; I473-G503 VanDerWaalsContact CD1-N 3.29Å
474	A	88.7	Confident	87.4	Confident	16 Å²	16	45 Å²	45	13%	0.132	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	118.8	168.3	0	0	0	0	0	110.3	L458 D472 D489	L458-A474 HydrophobicContact CB-CB 4.05Å; L458-A474 HydrophobicContact CD2-CB 4.38Å; D472-A474 PolarHBondContact O-N 3.44Å; A474-D489 HydrophobicContact CB-CB 4.46Å; A474-D489 PolarHBondContact O-N 3.02Å; A474-D489 VanDerWaalsContact O-N 3.07Å
475	Q	87.1	Confident	87.2	Confident	58 Å²	58	44.7 Å²	44.7	27%	0.271	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.5	170.4	-67.8	-173.5	-8.7	0	0	110.3	I473 L487 M488 Q506	I473-Q475 HydrophobicContact CG2-CG 4.46Å; I473-Q475 PolarHBondContact O-N 2.81Å; Q475-L487 WeakPolarHBondContact CA-O 3.12Å; Q475-M488 HydrophobicContact CG-CG 4.19Å; Q475-Q506 VanDerWaalsContact NE2-OE1 3.16Å
476	T	88	Confident	87.2	Confident	24 Å²	24	42 Å²	42	15%	0.147	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	167.8	170.1	53.4	0	0	0	0	110.4	L426 L458 A486 L487	L426-T476 HydrophobicContact CD1-CG2 4.35Å; L458-T476 HydrophobicContact CD2-CG2 3.45Å; L458-T476 VanDerWaalsContact CD2-CG2 3.45Å; T476-A486 CarbonylContact O-C 3.57Å; T476-L487 PolarHBondContact N-O 2.77Å; T476-L487 PolarHBondContact O-N 2.68Å
477	S	86.7	Confident	87.2	Confident	7 Å²	7	37.3 Å²	37.3	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.3	174.4	53.9	0	0	0	0	111.5	V485 C705 T707	S477-V485 VanDerWaalsContact CA-O 3.29Å; S477-V485 WeakPolarHBondContact CA-O 3.18Å; S477-C705 WeakPolarHBondContact CB-O 3.48Å; S477-C705 PolarHBondContact OG-O 3.04Å; S477-T707 VanDerWaalsContact O-CG2 3.3Å; S477-T707 WeakPolarHBondContact O-CG2 3.42Å
478	F	86.6	Confident	87.2	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	154.8	173.8	66.8	-90.1	0	0	0	111	L425 L426 L429 H431 T480 V485 L487 L624 I627	L425-F478 HydrophobicContact CD2-CZ 4.36Å; L426-F478 HydrophobicContact CD2-CB 4.13Å; L426-F478 HydrophobicContact CD2-CD1 4.37Å; L429-F478 HydrophobicContact CD1-CB 3.88Å; L429-F478 HydrophobicContact CD1-CD2 3.55Å; L429-F478 HydrophobicContact CD1-CE2 4.21Å; L429-F478 HydrophobicContact CD1-CG 3.81Å; H431-F478 WeakPolarHBondContact NE2-CA 3.3Å; H431-F478 VanDerWaalsContact NE2-CB 3.32Å; H431-F478 WeakPolarHBondContact NE2-CB 3.32Å; F478-T480 HydrophobicContact CD2-CG2 4.11Å; F478-T480 HydrophobicContact CE2-CG2 3.75Å; F478-V485 HydrophobicContact CD1-CB 4.17Å; F478-V485 HydrophobicContact CD1-CG1 4.44Å; F478-V485 HydrophobicContact CD2-CB 4.29Å; F478-V485 HydrophobicContact CE1-CB 3.75Å; F478-V485 HydrophobicContact CE1-CG1 3.64Å; F478-V485 HydrophobicContact CE2-CB 3.88Å; F478-V485 HydrophobicContact CE2-CG1 4.38Å; F478-V485 HydrophobicContact CE2-CG2 3.91Å; F478-V485 HydrophobicContact CG-CB 4.43Å; F478-V485 HydrophobicContact CZ-CB 3.6Å; F478-V485 HydrophobicContact CZ-CG1 3.62Å; F478-V485 HydrophobicContact CZ-CG2 3.95Å; F478-V485 PolarHBondContact N-O 3.42Å; F478-V485 PolarHBondContact O-N 3.06Å; F478-L487 HydrophobicContact CD1-CB 4.45Å; F478-L487 HydrophobicContact CE1-CB 4.26Å; F478-L487 HydrophobicContact CE1-CD1 4.12Å; F478-L624 HydrophobicContact CD2-CD1 4.37Å; F478-L624 HydrophobicContact CE2-CD1 3.85Å; F478-I627 HydrophobicContact CZ-CG2 4.44Å
479	E	82.6	Confident	87.5	Confident	41 Å²	41	29.6 Å²	29.6	19%	0.192	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.8	-175.7	-164.8	170.5	117.2	0	0	111.1	K403 R484	K403-E479 HydrophobicContact CD-CG 3.66Å; K403-E479 WeakPolarHBondContact CD-OE1 3.16Å; K403-E479 WeakPolarHBondContact CE-OE1 3.42Å; K403-E479 IonicContact NZ-OE1 2.67Å; K403-E479 PolarHBondContact NZ-OE1 3.18Å; E479-R484 HydrophobicContact CG-CG 4.01Å; E479-R484 IonicContact OE2-CZ 3.73Å; E479-R484 IonicContact OE2-NE 2.69Å; E479-R484 PolarHBondContact OE2-NE 3.31Å; E479-R484 IonicContact OE2-NH2 2.68Å
480	T	81.2	Confident	87.6	Confident	11 Å²	11	27.8 Å²	27.8	7%	0.067	14%	0.139	C	C	.	.			trans	-90.3	176	170.6	71.9	0	0	0	0	110.3	K403 F478 S482 K483 V485 L624	K403-T480 WeakPolarHBondContact CD-O 3.49Å; K403-T480 WeakPolarHBondContact CE-O 3.39Å; K403-T480 PolarHBondContact NZ-O 2.84Å; F478-T480 HydrophobicContact CD2-CG2 4.11Å; F478-T480 HydrophobicContact CE2-CG2 3.75Å; T480-S482 PolarHBondContact O-N 2.92Å; T480-S482 VanDerWaalsContact O-N 3.11Å; T480-S482 PolarHBondContact OG1-N 2.72Å; T480-K483 PolarHBondContact N-O 2.83Å; T480-K483 WeakPolarHBondContact OG1-CA 3.48Å; T480-K483 PolarHBondContact OG1-N 3.37Å; T480-K483 PolarHBondContact OG1-O 2.91Å; T480-V485 HydrophobicContact CG2-CG2 4.1Å; T480-L624 HydrophobicContact CG2-CD1 3.94Å
481	K	79.9	Confident	87.7	Confident	189 Å²	189	27.5 Å²	27.5	82%	0.822	14%	0.137	S	C	*	.	S	Bend	trans	-56.6	-28.4	176.3	-65.9	-173.7	178.3	-176.9	0	113.3	K403	K403-K481 VanDerWaalsContact CE-O 3.32Å; K403-K481 WeakPolarHBondContact CE-O 3.37Å
482	S	79.9	Confident	87.6	Confident	28 Å²	28	26.2 Å²	26.2	20%	0.196	13%	0.131	C	C	.	.	S	Bend	trans	-126	-21.8	-168.4	26	0	0	0	0	115.2	T480 G628	T480-S482 PolarHBondContact O-N 2.92Å; T480-S482 VanDerWaalsContact O-N 3.11Å; T480-S482 PolarHBondContact OG1-N 2.72Å; S482-G628 PolarHBondContact OG-O 2.95Å
483	K	81.6	Confident	87.6	Confident	1 Å²	1	26 Å²	26	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.2	-170.9	-52.1	-179.4	-167.9	160.5	0	111	Q404 I406 T480 I627 G628 K629 I638	Q404-K483 CarbonylContact O-C 3.27Å; Q404-K483 WeakPolarHBondContact O-CA 3.46Å; Q404-K483 WeakPolarHBondContact O-CB 3.46Å; I406-K483 HydrophobicContact CD1-CD 3.63Å; I406-K483 HydrophobicContact CG1-CD 4.27Å; T480-K483 PolarHBondContact N-O 2.83Å; T480-K483 WeakPolarHBondContact OG1-CA 3.48Å; T480-K483 PolarHBondContact OG1-N 3.37Å; T480-K483 PolarHBondContact OG1-O 2.91Å; K483-I627 PolarHBondContact NZ-O 2.78Å; K483-G628 WeakPolarHBondContact CE-O 3.34Å; K483-K629 VanDerWaalsContact CE-O 3.23Å; K483-K629 WeakPolarHBondContact CE-O 3.34Å; K483-K629 PolarHBondContact NZ-O 3Å; K483-I638 PolarHBondContact NZ-O 3.13Å
484	R	85.2	Confident	87.5	Confident	44 Å²	44	27.6 Å²	27.6	17%	0.166	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.3	161.7	-73.9	-179.9	-173.1	146.7	11.5	108	K403 Q404 I405 I406 E479 N706	K403-R484 HydrophobicContact CB-CG 4.21Å; Q404-R484 PolarHBondContact O-N 2.96Å; I405-R484 WeakPolarHBondContact CA-O 3.48Å; I405-R484 HydrophobicContact CG1-CB 4.16Å; I406-R484 PolarHBondContact N-O 3.07Å; E479-R484 HydrophobicContact CG-CG 4.01Å; E479-R484 IonicContact OE2-CZ 3.73Å; E479-R484 IonicContact OE2-NE 2.69Å; E479-R484 PolarHBondContact OE2-NE 3.31Å; E479-R484 IonicContact OE2-NH2 2.68Å; R484-N706 PolarHBondContact NH1-OD1 3.48Å
485	V	88.4	Confident	87.6	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	115.7	-177.3	-175.3	0	0	0	0	108.2	I406 L408 S477 F478 T480 I627	I406-V485 WeakPolarHBondContact O-CA 3.36Å; L408-V485 HydrophobicContact CB-CG1 3.76Å; L408-V485 HydrophobicContact CD2-CG1 4.06Å; S477-V485 VanDerWaalsContact CA-O 3.29Å; S477-V485 WeakPolarHBondContact CA-O 3.18Å; F478-V485 HydrophobicContact CD1-CB 4.17Å; F478-V485 HydrophobicContact CD1-CG1 4.44Å; F478-V485 HydrophobicContact CD2-CB 4.29Å; F478-V485 HydrophobicContact CE1-CB 3.75Å; F478-V485 HydrophobicContact CE1-CG1 3.64Å; F478-V485 HydrophobicContact CE2-CB 3.88Å; F478-V485 HydrophobicContact CE2-CG1 4.38Å; F478-V485 HydrophobicContact CE2-CG2 3.91Å; F478-V485 HydrophobicContact CG-CB 4.43Å; F478-V485 HydrophobicContact CZ-CB 3.6Å; F478-V485 HydrophobicContact CZ-CG1 3.62Å; F478-V485 HydrophobicContact CZ-CG2 3.95Å; F478-V485 PolarHBondContact N-O 3.42Å; F478-V485 PolarHBondContact O-N 3.06Å; T480-V485 HydrophobicContact CG2-CG2 4.1Å; V485-I627 HydrophobicContact CG1-CG2 4.3Å; V485-I627 HydrophobicContact CG2-CG2 3.7Å
486	A	89.5	Confident	87.8	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	112.1	166.4	0	0	0	0	0	107.5	I406 L408 T476 C705	I406-A486 PolarHBondContact O-N 3.16Å; L408-A486 PolarHBondContact N-O 3.33Å; T476-A486 CarbonylContact O-C 3.57Å; A486-C705 HydrophobicContact CB-CB 4.08Å
487	L	91.3	Very high	88	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.7	179.2	-170.1	87.4	0	0	0	109.7	L408 V410 M422 Q475 T476 F478	L408-L487 HydrophobicContact CD2-CD1 4.17Å; L408-L487 HydrophobicContact CG-CD1 4.42Å; L408-L487 WeakPolarHBondContact O-CA 3.35Å; V410-L487 HydrophobicContact CG2-CD1 3.71Å; V410-L487 HydrophobicContact CG2-CG 4.23Å; M422-L487 HydrophobicContact CB-CD2 3.85Å; M422-L487 HydrophobicContact CG-CD2 3.84Å; M422-L487 HydrophobicContact SD-CD1 3.53Å; M422-L487 VanDerWaalsContact SD-CD1 3.53Å; M422-L487 HydrophobicContact SD-CD2 3.77Å; M422-L487 HydrophobicContact SD-CG 4.25Å; Q475-L487 WeakPolarHBondContact CA-O 3.12Å; T476-L487 PolarHBondContact N-O 2.77Å; T476-L487 PolarHBondContact O-N 2.68Å; F478-L487 HydrophobicContact CD1-CB 4.45Å; F478-L487 HydrophobicContact CE1-CB 4.26Å; F478-L487 HydrophobicContact CE1-CD1 4.12Å
488	M	92.2	Very high	88.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	110.5	170.1	-70.8	166.4	-70.5	0	0	108.3	N407 L408 I409 V410 I473 Q475 Q506 A507	N407-M488 HydrophobicContact CB-CE 3.89Å; L408-M488 PolarHBondContact O-N 3.24Å; I409-M488 CarbonylContact C-O 3.59Å; I409-M488 WeakPolarHBondContact CA-O 3.48Å; I409-M488 HydrophobicContact CB-CB 4.36Å; I409-M488 HydrophobicContact CB-CE 4.45Å; I409-M488 HydrophobicContact CG1-CB 4.37Å; V410-M488 PolarHBondContact N-O 3.26Å; I473-M488 HydrophobicContact CG2-CB 3.82Å; I473-M488 HydrophobicContact CG2-CG 4.08Å; Q475-M488 HydrophobicContact CG-CG 4.19Å; M488-Q506 HydrophobicContact CE-CB 4.27Å; M488-Q506 HydrophobicContact SD-CB 3.71Å; M488-A507 HydrophobicContact CE-CB 3.81Å
489	D	94	Very high	88.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	130.1	171.1	-164.8	21.3	0	0	0	109.2	S419 L458 I473 A474	S419-D489 VanDerWaalsContact CA-OD2 3.24Å; S419-D489 WeakPolarHBondContact CA-OD2 3.5Å; S419-D489 WeakPolarHBondContact CB-OD2 3.27Å; S419-D489 PolarHBondContact OG-OD2 3.13Å; L458-D489 HydrophobicContact CD1-CB 4.11Å; I473-D489 WeakPolarHBondContact CA-O 3.37Å; A474-D489 HydrophobicContact CB-CB 4.46Å; A474-D489 PolarHBondContact O-N 3.02Å; A474-D489 VanDerWaalsContact O-N 3.07Å
490	A	93	Very high	89	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.008	16%	0.16	C	C	.	.			trans	-113.9	143.3	-174.6	0	0	0	0	0	111.4	I409 V410 K418 V500	I409-A490 HydrophobicContact CD1-CB 3.9Å; I409-A490 HydrophobicContact CG1-CB 3.98Å; V410-A490 WeakPolarHBondContact O-CB 3.5Å; V410-A490 PolarHBondContact O-N 3.01Å; K418-A490 WeakPolarHBondContact CE-O 3.36Å; A490-V500 HydrophobicContact CB-CG1 4.33Å; A490-V500 HydrophobicContact CB-CG2 4.19Å
491	P	93.5	Very high	89.6	Confident	1 Å²	1	33 Å²	33	1%	0.006	16%	0.158	C	C	.	.			trans	-64.5	152.3	-177	28	-36.4	0	0	0	111.7	T470 F496 Q499 V500	T470-P491 WeakPolarHBondContact O-CB 3.4Å; P491-F496 HydrophobicContact CB-CB 3.67Å; P491-F496 HydrophobicContact CB-CD2 4.31Å; P491-F496 HydrophobicContact CB-CG 4.37Å; P491-F496 HydrophobicContact CG-CB 3.53Å; P491-Q499 HydrophobicContact CG-CB 4.07Å; P491-V500 HydrophobicContact CG-CG2 3.83Å; P491-V500 WeakPolarHBondContact O-CG2 3.4Å
492	G	89.7	Confident	90.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	12%	0.123	C	C	.	.			trans	-89.1	-27.1	-179	0	0	0	0	0	114.7	Q530	G492-Q530 PolarHBondContact O-NE2 2.8Å; G492-Q530 PolarHBondContact O-OE1 2.87Å
493	H	90.7	Very high	90.7	Very high	74 Å²	74	23.1 Å²	23.1	34%	0.343	11%	0.114	S	C	.	.	S	Bend	trans	-76.9	150.7	-165.8	-154.2	-106.2	0	0	0	113.3	V414 D495 F496	V414-H493 HydrophobicContact CG2-CB 4.36Å; H493-D495 IonicContact CE1-OD2 2.82Å; H493-D495 PolarHBondContact CE1-OD2 3.18Å; H493-D495 IonicContact ND1-OD2 2.72Å; H493-D495 PolarHBondContact ND1-OD2 3.44Å; H493-D495 PolarHBondContact O-N 3.44Å; H493-F496 HydrophobicContact CB-CD2 3.57Å; H493-F496 HydrophobicContact CB-CE2 3.84Å; H493-F496 PolarHBondContact O-N 2.92Å
494	K	88.5	Confident	91.2	Very high	77 Å²	77	23.1 Å²	23.1	34%	0.335	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-59.4	-31.4	-179	-170.1	-179.4	-178.2	-178.5	0	112.6	V497 E860	K494-V497 VanDerWaalsContact O-CG2 3.24Å; K494-V497 WeakPolarHBondContact O-CG2 3.32Å; K494-E860 IonicContact NZ-OE1 3.45Å; K494-E860 PolarHBondContact NZ-OE1 3.04Å
495	D	90.9	Very high	91.5	Very high	102 Å²	102	22.3 Å²	22.3	55%	0.545	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-76.4	-25.8	-177.4	-51.5	-40.3	0	0	0	113.2	H493 P498	H493-D495 IonicContact CE1-OD2 2.82Å; H493-D495 PolarHBondContact CE1-OD2 3.18Å; H493-D495 IonicContact ND1-OD2 2.72Å; H493-D495 PolarHBondContact ND1-OD2 3.44Å; H493-D495 PolarHBondContact O-N 3.44Å; D495-P498 VanDerWaalsContact O-CD 3.27Å; D495-P498 WeakPolarHBondContact O-CD 3.2Å
496	F	91.6	Very high	91.5	Very high	49 Å²	49	23 Å²	23	22%	0.215	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-98.3	8.9	-177.2	-49.6	-50.7	0	0	0	113.4	M471 P491 H493 P498 Q499 V500	M471-F496 HydrophobicContact CE-CD1 4.38Å; M471-F496 HydrophobicContact CE-CE1 3.49Å; M471-F496 VanDerWaalsContact CE-CE1 3.49Å; M471-F496 HydrophobicContact CE-CE2 3.92Å; M471-F496 HydrophobicContact CE-CZ 3.24Å; M471-F496 HydrophobicContact SD-CD2 4.29Å; M471-F496 HydrophobicContact SD-CE1 4.19Å; M471-F496 HydrophobicContact SD-CE2 3.47Å; M471-F496 WeakPolarHBondContact SD-CE2 3.34Å; M471-F496 HydrophobicContact SD-CZ 3.44Å; M471-F496 WeakPolarHBondContact SD-CZ 3.47Å; P491-F496 HydrophobicContact CB-CB 3.67Å; P491-F496 HydrophobicContact CB-CD2 4.31Å; P491-F496 HydrophobicContact CB-CG 4.37Å; P491-F496 HydrophobicContact CG-CB 3.53Å; H493-F496 HydrophobicContact CB-CD2 3.57Å; H493-F496 HydrophobicContact CB-CE2 3.84Å; H493-F496 PolarHBondContact O-N 2.92Å; F496-P498 VanDerWaalsContact C-N 3.25Å; F496-Q499 WeakPolarHBondContact O-CA 3.39Å; F496-Q499 WeakPolarHBondContact O-CB 3.28Å; F496-Q499 PolarHBondContact O-N 3.37Å; F496-V500 PolarHBondContact O-N 3.21Å
497	V	91.6	Very high	91.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-27.9	172.4	-168.6	0	0	0	0	113.6	K494 Q499 V500 I501 L537	K494-V497 VanDerWaalsContact O-CG2 3.24Å; K494-V497 WeakPolarHBondContact O-CG2 3.32Å; V497-Q499 VanDerWaalsContact C-N 3.3Å; V497-Q499 PolarHBondContact O-N 3.44Å; V497-V500 HydrophobicContact CG1-CB 4.37Å; V497-V500 WeakPolarHBondContact O-CB 3.44Å; V497-V500 PolarHBondContact O-N 2.85Å; V497-I501 WeakPolarHBondContact O-CG1 3.44Å; V497-I501 PolarHBondContact O-N 3.01Å; V497-L537 HydrophobicContact CG1-CD1 3.24Å
498	P	91.8	Very high	91.4	Very high	37 Å²	37	24.2 Å²	24.2	24%	0.24	13%	0.125	C	C	.	.	H	α-helix	trans	-47.9	-45.9	162	-34.8	41.6	0	0	0	114.6	D495 F496 I501 G502 Y790	D495-P498 VanDerWaalsContact O-CD 3.27Å; D495-P498 WeakPolarHBondContact O-CD 3.2Å; F496-P498 VanDerWaalsContact C-N 3.25Å; P498-I501 WeakPolarHBondContact O-CB 3.49Å; P498-I501 PolarHBondContact O-N 3.13Å; P498-G502 PolarHBondContact O-N 2.79Å; P498-Y790 HydrophobicContact CB-CE1 3.82Å; P498-Y790 HydrophobicContact CG-CE1 4.07Å
499	Q	91.9	Very high	91.3	Very high	82 Å²	82	24.2 Å²	24.2	38%	0.383	13%	0.125	S	C	.	.	H	α-helix	trans	-68.2	-44.4	176.6	-55.2	-60.1	49.7	0	0	110.2	D472 I473 P491 F496 V497 I501 G502 G503	D472-Q499 PolarHBondContact OD1-NE2 3.22Å; I473-Q499 HydrophobicContact CD1-CB 4.34Å; I473-Q499 WeakPolarHBondContact CD1-O 3.25Å; P491-Q499 HydrophobicContact CG-CB 4.07Å; F496-Q499 WeakPolarHBondContact O-CA 3.39Å; F496-Q499 WeakPolarHBondContact O-CB 3.28Å; F496-Q499 PolarHBondContact O-N 3.37Å; V497-Q499 VanDerWaalsContact C-N 3.3Å; V497-Q499 PolarHBondContact O-N 3.44Å; Q499-I501 PolarHBondContact O-N 3.19Å; Q499-I501 VanDerWaalsContact O-N 3.14Å; Q499-G502 WeakPolarHBondContact O-CA 3.39Å; Q499-G502 PolarHBondContact O-N 2.81Å; Q499-G503 PolarHBondContact O-N 2.96Å
500	V	93.6	Very high	91.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-52.8	-38.5	175.5	-174.7	0	0	0	0	111.9	M411 A490 P491 F496 V497 A504	M411-V500 HydrophobicContact CE-CG1 3.91Å; M411-V500 HydrophobicContact CG-CG1 4.47Å; M411-V500 HydrophobicContact SD-CG1 4.48Å; A490-V500 HydrophobicContact CB-CG1 4.33Å; A490-V500 HydrophobicContact CB-CG2 4.19Å; P491-V500 HydrophobicContact CG-CG2 3.83Å; P491-V500 WeakPolarHBondContact O-CG2 3.4Å; F496-V500 PolarHBondContact O-N 3.21Å; V497-V500 HydrophobicContact CG1-CB 4.37Å; V497-V500 WeakPolarHBondContact O-CB 3.44Å; V497-V500 PolarHBondContact O-N 2.85Å; V500-A504 WeakPolarHBondContact O-CB 3.34Å; V500-A504 PolarHBondContact O-N 3.42Å
501	I	93.4	Very high	91.3	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-47.2	174	-68	164.4	0	0	0	111.2	V497 P498 Q499 G503 A504 T505 L537 L541 Y790 M854	V497-I501 WeakPolarHBondContact O-CG1 3.44Å; V497-I501 PolarHBondContact O-N 3.01Å; P498-I501 WeakPolarHBondContact O-CB 3.49Å; P498-I501 PolarHBondContact O-N 3.13Å; Q499-I501 PolarHBondContact O-N 3.19Å; Q499-I501 VanDerWaalsContact O-N 3.14Å; I501-G503 PolarHBondContact O-N 3.34Å; I501-A504 PolarHBondContact O-N 2.76Å; I501-T505 PolarHBondContact O-N 2.83Å; I501-T505 VanDerWaalsContact O-N 3.11Å; I501-L537 HydrophobicContact CD1-CD2 4.37Å; I501-L537 HydrophobicContact CG1-CD1 4.34Å; I501-L537 HydrophobicContact CG1-CD2 4.12Å; I501-L541 HydrophobicContact CB-CD1 4.31Å; I501-L541 HydrophobicContact CG1-CD1 4.41Å; I501-L541 HydrophobicContact CG2-CD1 4Å; I501-L541 HydrophobicContact CG2-CD2 4.41Å; I501-Y790 HydrophobicContact CD1-CD1 4.21Å; I501-Y790 HydrophobicContact CD1-CG 4.15Å; I501-M854 HydrophobicContact CD1-CB 4.29Å
502	G	91	Very high	91.4	Very high	9 Å²	9	24.2 Å²	24.2	9%	0.093	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-36.9	178.3	0	0	0	0	0	114.3	P498 Q499 T505 Q506	P498-G502 PolarHBondContact O-N 2.79Å; Q499-G502 WeakPolarHBondContact O-CA 3.39Å; Q499-G502 PolarHBondContact O-N 2.81Å; G502-T505 PolarHBondContact O-OG1 3.29Å; G502-Q506 WeakPolarHBondContact O-CG 3.39Å; G502-Q506 PolarHBondContact O-NE2 3.35Å; G502-Q506 VanDerWaalsContact O-NE2 3.13Å
503	G	91.3	Very high	91.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.9	-37	173	0	0	0	0	0	113	I409 I473 Q499 I501 T505 Q506 A507	I409-G503 VanDerWaalsContact CD1-C 3.44Å; I473-G503 VanDerWaalsContact CD1-CA 3.41Å; I473-G503 VanDerWaalsContact CD1-N 3.29Å; Q499-G503 PolarHBondContact O-N 2.96Å; I501-G503 PolarHBondContact O-N 3.34Å; G503-T505 VanDerWaalsContact C-N 3.35Å; G503-T505 PolarHBondContact O-N 2.77Å; G503-Q506 WeakPolarHBondContact O-CB 3.11Å; G503-Q506 PolarHBondContact O-N 3.11Å; G503-Q506 VanDerWaalsContact O-N 3.11Å; G503-A507 PolarHBondContact O-N 3.06Å
504	A	92.4	Very high	91.9	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-71.3	-26.6	-176.3	0	0	0	0	0	113.5	I409 M411 V500 I501 Q506 A507 L541	I409-A504 HydrophobicContact CD1-CB 4.09Å; M411-A504 HydrophobicContact CE-CB 3.51Å; V500-A504 WeakPolarHBondContact O-CB 3.34Å; V500-A504 PolarHBondContact O-N 3.42Å; I501-A504 PolarHBondContact O-N 2.76Å; A504-Q506 VanDerWaalsContact C-N 3.3Å; A504-A507 PolarHBondContact O-N 2.99Å; A504-L541 HydrophobicContact CB-CB 4.49Å; A504-L541 HydrophobicContact CB-CD1 3.44Å; A504-L541 VanDerWaalsContact CB-CD1 3.44Å
505	T	91.2	Very high	92.3	Very high	27 Å²	27	17.3 Å²	17.3	17%	0.166	9%	0.094	C	C	.	.	H	α-helix	trans	-71.2	-25.5	169.6	56.4	0	0	0	0	112.9	I501 G502 G503 L541 R670 N792	I501-T505 PolarHBondContact O-N 2.83Å; I501-T505 VanDerWaalsContact O-N 3.11Å; G502-T505 PolarHBondContact O-OG1 3.29Å; G503-T505 VanDerWaalsContact C-N 3.35Å; G503-T505 PolarHBondContact O-N 2.77Å; T505-L541 HydrophobicContact CG2-CB 4.48Å; T505-L541 HydrophobicContact CG2-CD1 4.28Å; T505-L541 HydrophobicContact CG2-CD2 3.89Å; T505-L541 HydrophobicContact CG2-CG 4.42Å; T505-R670 PolarHBondContact O-NH1 3.4Å; T505-N792 WeakPolarHBondContact CG2-O 3.36Å; T505-N792 PolarHBondContact OG1-O 2.89Å
506	Q	88.7	Confident	92.5	Very high	15 Å²	15	12.5 Å²	12.5	7%	0.07	7%	0.068	C	C	.	.	H	α-helix	trans	-84	-12.4	176.8	-63.1	177.7	47.8	0	0	113.5	N407 Q475 M488 G502 G503 A504 R670 C793	N407-Q506 VanDerWaalsContact CB-O 3.24Å; N407-Q506 WeakPolarHBondContact CB-O 3.13Å; N407-Q506 PolarHBondContact ND2-O 3.07Å; Q475-Q506 VanDerWaalsContact NE2-OE1 3.16Å; M488-Q506 HydrophobicContact CE-CB 4.27Å; M488-Q506 HydrophobicContact SD-CB 3.71Å; G502-Q506 WeakPolarHBondContact O-CG 3.39Å; G502-Q506 PolarHBondContact O-NE2 3.35Å; G502-Q506 VanDerWaalsContact O-NE2 3.13Å; G503-Q506 WeakPolarHBondContact O-CB 3.11Å; G503-Q506 PolarHBondContact O-N 3.11Å; G503-Q506 VanDerWaalsContact O-N 3.11Å; A504-Q506 VanDerWaalsContact C-N 3.3Å; Q506-R670 VanDerWaalsContact C-NH1 3.31Å; Q506-R670 PolarHBondContact O-NE 3.43Å; Q506-R670 PolarHBondContact O-NH1 3.31Å; Q506-C793 PolarHBondContact NE2-SG 2.93Å
507	A	90.9	Very high	92.6	Very high	10 Å²	10	11.7 Å²	11.7	8%	0.083	7%	0.067	C	C	.	.			trans	-89.4	152.4	-176.2	0	0	0	0	0	113.9	I409 M488 G503 A504	I409-A507 HydrophobicContact CB-CB 3.81Å; I409-A507 HydrophobicContact CG2-CB 3.44Å; I409-A507 VanDerWaalsContact CG2-CB 3.44Å; M488-A507 HydrophobicContact CE-CB 3.81Å; G503-A507 PolarHBondContact O-N 3.06Å; A504-A507 PolarHBondContact O-N 2.99Å
508	D	88	Confident	92.7	Very high	19 Å²	19	20.8 Å²	20.8	10%	0.102	10%	0.101	C	C	.	.	S	Bend	trans	-104.4	-35.5	171.2	-62.1	-54.9	0	0	0	111.5	I406 N407 S544 P641 R643 R670	I406-D508 HydrophobicContact CG2-CB 4.5Å; N407-D508 PolarHBondContact N-OD2 2.92Å; N407-D508 PolarHBondContact O-N 2.77Å; D508-S544 PolarHBondContact O-N 2.64Å; D508-S544 PolarHBondContact O-OG 3.31Å; D508-P641 HydrophobicContact CB-CB 4.42Å; D508-P641 HydrophobicContact CB-CG 4.03Å; D508-R643 VanDerWaalsContact CG-NH1 3.33Å; D508-R643 IonicContact OD1-CZ 3.82Å; D508-R643 IonicContact OD1-NH1 3.86Å; D508-R643 PolarHBondContact OD1-NH1 3.08Å; D508-R643 IonicContact OD2-CZ 3.01Å; D508-R643 IonicContact OD2-NH1 3.91Å; D508-R643 PolarHBondContact OD2-NH1 3.32Å; D508-R643 VanDerWaalsContact OD2-NH1 3.07Å; D508-R643 IonicContact OD2-NH2 3.07Å; D508-R643 PolarHBondContact OD2-NH2 2.97Å; D508-R670 IonicContact OD1-CZ 2.76Å; D508-R670 IonicContact OD1-NH1 2.71Å; D508-R670 IonicContact OD1-NH2 2.91Å; D508-R670 PolarHBondContact OD1-NH2 2.94Å; D508-R670 IonicContact OD2-NH2 3.38Å; D508-R670 PolarHBondContact OD2-NH2 2.91Å; D508-R670 VanDerWaalsContact OD2-NH2 3.16Å
509	A	90.3	Very high	92.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.9	177.8	0	0	0	0	0	110.4	I406 N407 L408 I409 V543 R545 I638	I406-A509 HydrophobicContact CG2-CB 4.46Å; N407-A509 PolarHBondContact O-N 3.15Å; L408-A509 WeakPolarHBondContact CA-O 3.08Å; L408-A509 HydrophobicContact CD1-CB 4.06Å; I409-A509 PolarHBondContact N-O 3.18Å; I409-A509 VanDerWaalsContact N-O 3.13Å; A509-V543 VanDerWaalsContact C-CG1 3.47Å; A509-R545 WeakPolarHBondContact CA-O 3.39Å; A509-R545 HydrophobicContact CB-CB 4.48Å; A509-I638 HydrophobicContact CB-CD1 3.69Å; A509-I638 HydrophobicContact CB-CG1 4.2Å; A509-I638 HydrophobicContact CB-CG2 3.91Å
510	A	93	Very high	92.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147	174.9	0	0	0	0	0	112.3	I409 V543 R545 L546 I547	I409-A510 HydrophobicContact CG2-CB 3.67Å; I409-A510 CarbonylContact O-C 3.13Å; I409-A510 VanDerWaalsContact O-CA 3.27Å; I409-A510 WeakPolarHBondContact O-CA 3.34Å; A510-V543 HydrophobicContact CB-CG1 3.74Å; A510-V543 VanDerWaalsContact N-CG1 3.34Å; A510-R545 PolarHBondContact N-O 3.45Å; A510-L546 HydrophobicContact CB-CD1 3.74Å; A510-L546 WeakPolarHBondContact O-CA 3.41Å; A510-I547 PolarHBondContact O-N 3Å
511	L	94.4	Very high	92.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	106.9	170.1	180	63.2	0	0	0	108.7	L408 I409 V410 M411 M422 V513 I547 A549 L623	L408-L511 HydrophobicContact CD1-CB 4.22Å; I409-L511 PolarHBondContact O-N 3.49Å; V410-L511 WeakPolarHBondContact CA-O 3.17Å; V410-L511 HydrophobicContact CG1-CD2 4.39Å; V410-L511 HydrophobicContact CG2-CB 4.47Å; V410-L511 HydrophobicContact CG2-CD2 4.38Å; M411-L511 PolarHBondContact N-O 2.92Å; M422-L511 HydrophobicContact CE-CD2 3.56Å; M422-L511 HydrophobicContact SD-CD2 4.25Å; L511-V513 HydrophobicContact CD2-CG2 4.49Å; L511-V513 HydrophobicContact CG-CG2 4.28Å; L511-I547 CarbonylContact C-O 3.47Å; L511-I547 WeakPolarHBondContact CA-O 3.44Å; L511-I547 HydrophobicContact CD1-CB 3.92Å; L511-I547 HydrophobicContact CD1-CG2 3.71Å; L511-A549 HydrophobicContact CD1-CB 3.82Å; L511-L623 HydrophobicContact CD1-CD1 3.76Å; L511-L623 HydrophobicContact CD2-CD1 4.35Å; L511-L623 HydrophobicContact CD2-CD2 4.3Å
512	L	95	Very high	92.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	107.7	174.1	-172.4	64.7	0	0	0	109.4	M411 I514 T531 A535 L546 I547 V548 A549	M411-L512 HydrophobicContact CB-CD1 4.23Å; M411-L512 CarbonylContact O-C 3.58Å; M411-L512 WeakPolarHBondContact O-CA 3.46Å; L512-I514 HydrophobicContact CD2-CD1 4.07Å; L512-I514 HydrophobicContact CD2-CG1 4.36Å; L512-I514 HydrophobicContact CG-CD1 4.31Å; L512-I514 HydrophobicContact CG-CG1 4.06Å; L512-T531 HydrophobicContact CD1-CG2 3.88Å; L512-T531 HydrophobicContact CD2-CG2 4.15Å; L512-T531 HydrophobicContact CG-CG2 4.17Å; L512-A535 HydrophobicContact CD2-CB 4.27Å; L512-L546 HydrophobicContact CB-CD1 4.02Å; L512-L546 HydrophobicContact CB-CG 4.35Å; L512-L546 HydrophobicContact CD2-CD2 4.3Å; L512-I547 PolarHBondContact N-O 3.07Å; L512-V548 HydrophobicContact CB-CG2 4.44Å; L512-V548 HydrophobicContact CD2-CG2 4.47Å; L512-V548 WeakPolarHBondContact O-CA 3.4Å; L512-A549 PolarHBondContact O-N 3.09Å
513	V	95.9	Very high	92.6	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122	175.2	-167.6	0	0	0	0	109	V410 M411 G412 A416 K418 L421 L511 A549 N551	V410-V513 HydrophobicContact CG1-CG2 3.67Å; M411-V513 PolarHBondContact O-N 3.08Å; G412-V513 WeakPolarHBondContact CA-O 3.26Å; A416-V513 HydrophobicContact CB-CB 4.34Å; A416-V513 HydrophobicContact CB-CG1 4.12Å; A416-V513 VanDerWaalsContact O-CG1 3.24Å; A416-V513 WeakPolarHBondContact O-CG1 3.46Å; K418-V513 HydrophobicContact CG-CB 4.18Å; K418-V513 HydrophobicContact CG-CG2 4.22Å; L421-V513 HydrophobicContact CD2-CG1 4.08Å; L421-V513 HydrophobicContact CD2-CG2 3.91Å; L511-V513 HydrophobicContact CD2-CG2 4.49Å; L511-V513 HydrophobicContact CG-CG2 4.28Å; V513-A549 WeakPolarHBondContact CA-O 3.44Å; V513-N551 HydrophobicContact CG1-CB 3.71Å
514	I	95.6	Very high	92.4	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.7	-177.5	-58.5	-168.5	0	0	0	108	L512 F521 T531 V548 A549 V550 N551 I566 I570	L512-I514 HydrophobicContact CD2-CD1 4.07Å; L512-I514 HydrophobicContact CD2-CG1 4.36Å; L512-I514 HydrophobicContact CG-CD1 4.31Å; L512-I514 HydrophobicContact CG-CG1 4.06Å; I514-F521 HydrophobicContact CG2-CD2 3.66Å; I514-F521 HydrophobicContact CG2-CE2 3.71Å; I514-T531 HydrophobicContact CD1-CG2 4.46Å; I514-T531 HydrophobicContact CG1-CG2 4.22Å; I514-V548 HydrophobicContact CD1-CG1 3.5Å; I514-V548 VanDerWaalsContact CD1-CG1 3.5Å; I514-V548 HydrophobicContact CG1-CG1 4Å; I514-A549 PolarHBondContact N-O 3.35Å; I514-V550 CarbonylContact O-C 3.33Å; I514-V550 WeakPolarHBondContact O-CA 3.26Å; I514-N551 PolarHBondContact O-N 2.93Å; I514-I566 HydrophobicContact CG2-CG2 4.24Å; I514-I570 HydrophobicContact CD1-CB 4.37Å; I514-I570 HydrophobicContact CD1-CD1 3.51Å; I514-I570 HydrophobicContact CD1-CG1 3.58Å; I514-I570 HydrophobicContact CD1-CG2 3.96Å
515	N	95.3	Very high	92.2	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	135.9	179.9	-164.3	-21.8	0	0	0	110.9	D415 T517 E520 F521 K552	D415-N515 PolarHBondContact O-ND2 3.11Å; N515-T517 PolarHBondContact OD1-N 3.03Å; N515-T517 VanDerWaalsContact OD1-N 3.11Å; N515-T517 PolarHBondContact OD1-OG1 3.16Å; N515-T517 VanDerWaalsContact OD1-OG1 3.06Å; N515-E520 HydrophobicContact CB-CB 4.29Å; N515-E520 VanDerWaalsContact ND2-CB 3.27Å; N515-E520 WeakPolarHBondContact ND2-CB 3.44Å; N515-E520 PolarHBondContact ND2-OE1 3.44Å; N515-E520 PolarHBondContact ND2-OE2 3.22Å; N515-E520 PolarHBondContact OD1-OE2 3.38Å; N515-F521 WeakPolarHBondContact O-CB 3.47Å; N515-F521 WeakPolarHBondContact O-CD2 3.24Å; N515-K552 VanDerWaalsContact ND2-CE 3.34Å; N515-K552 WeakPolarHBondContact ND2-CE 3.29Å; N515-K552 PolarHBondContact ND2-NZ 3.34Å; N515-K552 WeakPolarHBondContact OD1-CD 2.87Å
516	A	95.7	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.157	C	C	.	.			trans	-82.9	-27.9	177.6	0	0	0	0	0	114	V550 N551 M553 V556 R562 I566	A516-V550 HydrophobicContact CB-CG1 3.95Å; A516-N551 VanDerWaalsContact CB-O 3.23Å; A516-N551 WeakPolarHBondContact CB-O 3.26Å; A516-N551 PolarHBondContact N-O 2.7Å; A516-M553 HydrophobicContact CB-CG 4.45Å; A516-M553 HydrophobicContact CB-SD 3.72Å; A516-V556 HydrophobicContact CB-CG2 3.93Å; A516-R562 PolarHBondContact O-NE 3.27Å; A516-R562 VanDerWaalsContact O-NE 3.08Å; A516-R562 PolarHBondContact O-NH2 3.25Å; A516-I566 HydrophobicContact CB-CD1 4.22Å
517	T	94.5	Very high	91.3	Very high	32 Å²	32	33 Å²	33	20%	0.196	20%	0.196	C	C	.	.	S	Bend	trans	-56.8	141	-175.1	-43.4	0	0	0	0	111	N515 E520 F521 T555 R562	N515-T517 PolarHBondContact OD1-N 3.03Å; N515-T517 VanDerWaalsContact OD1-N 3.11Å; N515-T517 PolarHBondContact OD1-OG1 3.16Å; N515-T517 VanDerWaalsContact OD1-OG1 3.06Å; T517-E520 WeakPolarHBondContact CB-OE2 3.42Å; T517-E520 HydrophobicContact CG2-CG 4.32Å; T517-E520 PolarHBondContact OG1-OE2 3.19Å; T517-F521 WeakPolarHBondContact O-CB 3.43Å; T517-F521 PolarHBondContact O-N 3.02Å; T517-T555 PolarHBondContact OG1-OG1 3.43Å; T517-R562 PolarHBondContact O-NH2 3.12Å
518	R	92.1	Very high	90.9	Very high	191 Å²	191	36 Å²	36	72%	0.721	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	140.8	172.8	-63	179.7	179.8	177.9	0.4	110.2	E520	R518-E520 VanDerWaalsContact C-N 3.31Å; R518-E520 PolarHBondContact O-N 3.49Å
519	G	90.9	Very high	90.7	Very high	41 Å²	41	35.5 Å²	35.5	42%	0.423	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	-61.5	-169.4	0	0	0	0	0	111.8	F521 E522 T523	G519-F521 VanDerWaalsContact C-N 3.25Å; G519-F521 PolarHBondContact O-N 2.99Å; G519-E522 WeakPolarHBondContact CA-OE2 3.41Å; G519-E522 PolarHBondContact N-OE2 2.85Å; G519-E522 PolarHBondContact O-N 3.49Å; G519-T523 WeakPolarHBondContact O-CG2 3.4Å; G519-T523 PolarHBondContact O-N 3.48Å; G519-T523 VanDerWaalsContact O-N 3.12Å; G519-T523 PolarHBondContact O-OG1 2.63Å
520	E	91.4	Very high	90.7	Very high	55 Å²	55	36.8 Å²	36.8	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-65	-25.7	-176.7	-54.3	-173.5	106.4	0	0	113.6	N515 T517 R518 T523 K552	N515-E520 HydrophobicContact CB-CB 4.29Å; N515-E520 VanDerWaalsContact ND2-CB 3.27Å; N515-E520 WeakPolarHBondContact ND2-CB 3.44Å; N515-E520 PolarHBondContact ND2-OE1 3.44Å; N515-E520 PolarHBondContact ND2-OE2 3.22Å; N515-E520 PolarHBondContact OD1-OE2 3.38Å; T517-E520 WeakPolarHBondContact CB-OE2 3.42Å; T517-E520 HydrophobicContact CG2-CG 4.32Å; T517-E520 PolarHBondContact OG1-OE2 3.19Å; R518-E520 VanDerWaalsContact C-N 3.31Å; R518-E520 PolarHBondContact O-N 3.49Å; E520-T523 PolarHBondContact O-OG1 3.43Å; E520-K552 IonicContact OE1-NZ 3.95Å; E520-K552 PolarHBondContact OE1-NZ 3.03Å; E520-K552 IonicContact OE2-NZ 3.74Å; E520-K552 PolarHBondContact OE2-NZ 3.05Å
521	F	93.5	Very high	90.6	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-75	-47.9	174.9	173.2	-113	0	0	0	111.7	I514 N515 T517 G519 G524 I525 R562 I566 Q569 I570	I514-F521 HydrophobicContact CG2-CD2 3.66Å; I514-F521 HydrophobicContact CG2-CE2 3.71Å; N515-F521 WeakPolarHBondContact O-CB 3.47Å; N515-F521 WeakPolarHBondContact O-CD2 3.24Å; T517-F521 WeakPolarHBondContact O-CB 3.43Å; T517-F521 PolarHBondContact O-N 3.02Å; G519-F521 VanDerWaalsContact C-N 3.25Å; G519-F521 PolarHBondContact O-N 2.99Å; F521-G524 PolarHBondContact O-N 3.1Å; F521-G524 VanDerWaalsContact O-N 3.16Å; F521-I525 HydrophobicContact CD2-CD1 4.17Å; F521-I525 HydrophobicContact CE1-CD1 3.83Å; F521-I525 HydrophobicContact CE2-CD1 3.34Å; F521-I525 HydrophobicContact CE2-CG1 4.19Å; F521-I525 HydrophobicContact CZ-CD1 3.15Å; F521-I525 HydrophobicContact CZ-CG1 4.34Å; F521-I525 PolarHBondContact O-N 2.76Å; F521-R562 VanDerWaalsContact CB-NH2 3.35Å; F521-I566 HydrophobicContact CD1-CG1 4.18Å; F521-I566 HydrophobicContact CD2-CD1 4.44Å; F521-I566 HydrophobicContact CD2-CG1 3.98Å; F521-I566 HydrophobicContact CD2-CG2 4.37Å; F521-I566 HydrophobicContact CE1-CG1 3.89Å; F521-I566 HydrophobicContact CE2-CB 4Å; F521-I566 HydrophobicContact CE2-CG1 3.69Å; F521-I566 HydrophobicContact CE2-CG2 3.61Å; F521-I566 HydrophobicContact CG-CG1 4.21Å; F521-I566 HydrophobicContact CZ-CB 3.92Å; F521-I566 HydrophobicContact CZ-CG1 3.63Å; F521-I566 HydrophobicContact CZ-CG2 3.97Å; F521-Q569 HydrophobicContact CZ-CB 4.25Å; F521-I570 HydrophobicContact CE2-CG1 4.18Å; F521-I570 HydrophobicContact CZ-CG1 4.4Å
522	E	92.8	Very high	90.4	Very high	73 Å²	73	42 Å²	42	34%	0.341	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-38.9	-174.9	-67.4	75.2	-166.8	0	0	111.4	G519 G524 I525 G526 R562	G519-E522 WeakPolarHBondContact CA-OE2 3.41Å; G519-E522 PolarHBondContact N-OE2 2.85Å; G519-E522 PolarHBondContact O-N 3.49Å; E522-G524 VanDerWaalsContact C-N 3.31Å; E522-G524 PolarHBondContact O-N 3.38Å; E522-I525 PolarHBondContact O-N 3.4Å; E522-G526 PolarHBondContact O-N 2.89Å; E522-R562 IonicContact OE1-CZ 2.68Å; E522-R562 VanDerWaalsContact OE1-CZ 3.3Å; E522-R562 IonicContact OE1-NH1 3.7Å; E522-R562 PolarHBondContact OE1-NH1 3.37Å; E522-R562 IonicContact OE1-NH2 2.64Å; E522-R562 PolarHBondContact OE1-NH2 3.02Å; E522-R562 IonicContact OE2-NH2 3.3Å; E522-R562 PolarHBondContact OE2-NH2 3.5Å
523	T	91.1	Very high	90.1	Very high	84 Å²	84	43.5 Å²	43.5	52%	0.515	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-36.7	172.1	55.7	0	0	0	0	112.5	G519 E520	G519-T523 WeakPolarHBondContact O-CG2 3.4Å; G519-T523 PolarHBondContact O-N 3.48Å; G519-T523 VanDerWaalsContact O-N 3.12Å; G519-T523 PolarHBondContact O-OG1 2.63Å; E520-T523 PolarHBondContact O-OG1 3.43Å
524	G	87.4	Confident	89.9	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-31	179.2	0	0	0	0	0	114.4	F521 E522 G529 T531	F521-G524 PolarHBondContact O-N 3.1Å; F521-G524 VanDerWaalsContact O-N 3.16Å; E522-G524 VanDerWaalsContact C-N 3.31Å; E522-G524 PolarHBondContact O-N 3.38Å; G524-G529 CarbonylContact O-C 3.53Å; G524-G529 WeakPolarHBondContact O-CA 3.45Å; G524-T531 WeakPolarHBondContact O-CB 3.28Å
525	I	88.8	Confident	89.8	Confident	35 Å²	35	43.3 Å²	43.3	18%	0.179	26%	0.259	C	S	.	.	H	α-helix	trans	-91.2	-24.7	-179.9	-69.7	-173.5	0	0	0	113.1	F521 E522 Q569 I570	F521-I525 HydrophobicContact CD2-CD1 4.17Å; F521-I525 HydrophobicContact CE1-CD1 3.83Å; F521-I525 HydrophobicContact CE2-CD1 3.34Å; F521-I525 HydrophobicContact CE2-CG1 4.19Å; F521-I525 HydrophobicContact CZ-CD1 3.15Å; F521-I525 HydrophobicContact CZ-CG1 4.34Å; F521-I525 PolarHBondContact O-N 2.76Å; E522-I525 PolarHBondContact O-N 3.4Å; I525-Q569 HydrophobicContact CD1-CB 4.36Å; I525-I570 HydrophobicContact CD1-CD1 3.41Å; I525-I570 VanDerWaalsContact CD1-CD1 3.41Å; I525-I570 HydrophobicContact CD1-CG1 3.89Å; I525-I570 HydrophobicContact CG1-CD1 3.85Å
526	G	85.7	Confident	89.5	Confident	31 Å²	31	44.6 Å²	44.6	32%	0.32	26%	0.264	S	S	.	.	S	Bend	trans	-52	170.5	-174.7	0	0	0	0	0	115.6	E522 G528 G529	E522-G526 PolarHBondContact O-N 2.89Å; G526-G528 PolarHBondContact O-N 3.14Å; G526-G529 PolarHBondContact O-N 2.82Å
527	A	76.2	Confident	89.3	Confident	107 Å²	107	44.6 Å²	44.6	88%	0.884	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	104.6	175.6	0	0	0	0	0	110.1
528	G	80.5	Confident	89.2	Confident	74 Å²	74	43.1 Å²	43.1	76%	0.763	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.7	0.6	-172.8	0	0	0	0	0	115.3	G526	G526-G528 PolarHBondContact O-N 3.14Å
529	G	85.6	Confident	89.1	Confident	8 Å²	8	34.9 Å²	34.9	8%	0.082	22%	0.224	C	C	.	.			trans	-63.7	136.8	179.2	0	0	0	0	0	113.7	G524 G526 T531 R532 E533	G524-G529 CarbonylContact O-C 3.53Å; G524-G529 WeakPolarHBondContact O-CA 3.45Å; G526-G529 PolarHBondContact O-N 2.82Å; G529-T531 VanDerWaalsContact C-N 3.35Å; G529-T531 PolarHBondContact O-N 3.33Å; G529-R532 WeakPolarHBondContact O-CB 3.27Å; G529-R532 PolarHBondContact O-N 3.07Å; G529-R532 VanDerWaalsContact O-N 3.07Å; G529-E533 PolarHBondContact O-N 3.3Å; G529-E533 VanDerWaalsContact O-N 3.13Å
530	Q	89.5	Confident	89.1	Confident	27 Å²	27	33.3 Å²	33.3	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-38.8	-176.3	-70.4	163.4	-6.4	0	0	112.8	H413 G492 R532 E533 H534	H413-Q530 PolarHBondContact CE1-OE1 2.75Å; H413-Q530 PolarHBondContact ND1-OE1 3.03Å; G492-Q530 PolarHBondContact O-NE2 2.8Å; G492-Q530 PolarHBondContact O-OE1 2.87Å; Q530-R532 PolarHBondContact O-N 2.86Å; Q530-E533 PolarHBondContact O-N 3.33Å; Q530-E533 VanDerWaalsContact O-N 3.13Å; Q530-H534 WeakPolarHBondContact O-CB 3.35Å; Q530-H534 VanDerWaalsContact O-CG 3.26Å; Q530-H534 PolarHBondContact O-N 3.14Å
531	T	91.2	Very high	89	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-37.3	176.4	-49.8	0	0	0	0	111.2	L512 I514 G524 G529 A535	L512-T531 HydrophobicContact CD1-CG2 3.88Å; L512-T531 HydrophobicContact CD2-CG2 4.15Å; L512-T531 HydrophobicContact CG-CG2 4.17Å; I514-T531 HydrophobicContact CD1-CG2 4.46Å; I514-T531 HydrophobicContact CG1-CG2 4.22Å; G524-T531 WeakPolarHBondContact O-CB 3.28Å; G529-T531 VanDerWaalsContact C-N 3.35Å; G529-T531 PolarHBondContact O-N 3.33Å; T531-A535 WeakPolarHBondContact O-CB 3.31Å; T531-A535 PolarHBondContact O-N 3.45Å; T531-A535 VanDerWaalsContact O-N 3.09Å
532	R	89	Confident	88.6	Confident	103 Å²	103	31.4 Å²	31.4	39%	0.389	20%	0.199	S	C	.	.	H	α-helix	trans	-72.8	-36.1	176.4	166.3	161.9	-169.9	-177.4	4.1	113	G529 Q530 R536 F573	G529-R532 WeakPolarHBondContact O-CB 3.27Å; G529-R532 PolarHBondContact O-N 3.07Å; G529-R532 VanDerWaalsContact O-N 3.07Å; Q530-R532 PolarHBondContact O-N 2.86Å; R532-R536 PolarHBondContact O-N 3.27Å; R532-F573 HydrophobicContact CB-CE1 4.46Å; R532-F573 HydrophobicContact CB-CE2 4.12Å; R532-F573 HydrophobicContact CB-CZ 3.73Å; R532-F573 HydrophobicContact CG-CE2 3.56Å; R532-F573 HydrophobicContact CG-CZ 3.57Å
533	E	89.9	Confident	88.2	Confident	32 Å²	32	28 Å²	28	15%	0.15	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-49.2	171.5	-174.7	170.2	-177.7	0	0	111.1	G529 Q530 A535 R536 L537 R856 S861	G529-E533 PolarHBondContact O-N 3.3Å; G529-E533 VanDerWaalsContact O-N 3.13Å; Q530-E533 PolarHBondContact O-N 3.33Å; Q530-E533 VanDerWaalsContact O-N 3.13Å; E533-A535 PolarHBondContact O-N 2.71Å; E533-R536 WeakPolarHBondContact O-CA 3.43Å; E533-R536 VanDerWaalsContact O-CB 3.3Å; E533-R536 WeakPolarHBondContact O-CB 3.43Å; E533-R536 PolarHBondContact O-N 3.49Å; E533-L537 HydrophobicContact CG-CD1 3.98Å; E533-L537 HydrophobicContact CG-CG 4.31Å; E533-L537 WeakPolarHBondContact O-CG 3.23Å; E533-L537 PolarHBondContact O-N 3.08Å; E533-R856 IonicContact OE1-CZ 2.85Å; E533-R856 VanDerWaalsContact OE1-CZ 3.24Å; E533-R856 IonicContact OE1-NH1 2.78Å; E533-R856 PolarHBondContact OE1-NH1 2.99Å; E533-R856 IonicContact OE1-NH2 3.31Å; E533-R856 PolarHBondContact OE1-NH2 2.86Å; E533-R856 IonicContact OE2-NH2 3.42Å; E533-S861 PolarHBondContact OE1-OG 2.84Å
534	H	91.9	Very high	87.6	Confident	1 Å²	1	26 Å²	26	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-59.8	-45.1	-178.5	-67.1	167.5	0	0	0	113	M411 G412 Q530 R536 L537 A538	M411-H534 HydrophobicContact CB-CB 4.1Å; M411-H534 HydrophobicContact SD-CB 4.06Å; G412-H534 PolarHBondContact N-ND1 3.3Å; G412-H534 PolarHBondContact O-CE1 2.76Å; G412-H534 VanDerWaalsContact O-CE1 3.22Å; G412-H534 PolarHBondContact O-ND1 3.12Å; Q530-H534 WeakPolarHBondContact O-CB 3.35Å; Q530-H534 VanDerWaalsContact O-CG 3.26Å; Q530-H534 PolarHBondContact O-N 3.14Å; H534-R536 VanDerWaalsContact C-N 3.27Å; H534-R536 PolarHBondContact O-N 2.78Å; H534-L537 PolarHBondContact O-N 2.81Å; H534-A538 PolarHBondContact O-N 3.49Å
535	A	91.8	Very high	87.5	Confident	0 Å²	0	27 Å²	27	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-37.2	174.4	0	0	0	0	0	112.5	L512 T531 E533 R539 F573 L574 M577 F579	L512-A535 HydrophobicContact CD2-CB 4.27Å; T531-A535 WeakPolarHBondContact O-CB 3.31Å; T531-A535 PolarHBondContact O-N 3.45Å; T531-A535 VanDerWaalsContact O-N 3.09Å; E533-A535 PolarHBondContact O-N 2.71Å; A535-R539 PolarHBondContact O-N 2.9Å; A535-F573 HydrophobicContact CB-CE1 3.75Å; A535-F573 HydrophobicContact CB-CZ 4.18Å; A535-L574 HydrophobicContact CB-CD2 4.12Å; A535-M577 HydrophobicContact CB-SD 4Å; A535-F579 WeakPolarHBondContact O-CE2 3.37Å; A535-F579 WeakPolarHBondContact O-CZ 3.07Å
536	R	89.8	Confident	87.5	Confident	30 Å²	30	25.6 Å²	25.6	11%	0.113	17%	0.169	C	C	.	.	H	α-helix	trans	-66.2	-44.5	176.3	-159.4	176	-161.4	153.1	8	111.7	R532 E533 H534 R539 L540 M577 F775	R532-R536 PolarHBondContact O-N 3.27Å; E533-R536 WeakPolarHBondContact O-CA 3.43Å; E533-R536 VanDerWaalsContact O-CB 3.3Å; E533-R536 WeakPolarHBondContact O-CB 3.43Å; E533-R536 PolarHBondContact O-N 3.49Å; H534-R536 VanDerWaalsContact C-N 3.27Å; H534-R536 PolarHBondContact O-N 2.78Å; R536-R539 PolarHBondContact O-N 2.82Å; R536-L540 HydrophobicContact CG-CD1 3.96Å; R536-L540 WeakPolarHBondContact O-CD1 3.37Å; R536-L540 WeakPolarHBondContact O-CG 3.24Å; R536-L540 PolarHBondContact O-N 2.89Å; R536-M577 HydrophobicContact CB-CE 3.57Å; R536-M577 HydrophobicContact CB-SD 4.33Å; R536-M577 HydrophobicContact CG-CE 3.85Å; R536-F775 HydrophobicContact CG-CE2 4.46Å; R536-F775 HydrophobicContact CG-CZ 4.32Å; R536-F775 VanDerWaalsContact NE-CD1 3.3Å
537	L	91.8	Very high	87.8	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62.6	-47.2	178.7	-67.7	171	0	0	0	111.4	V497 I501 E533 H534 R539 L540 L541 M854	V497-L537 HydrophobicContact CG1-CD1 3.24Å; I501-L537 HydrophobicContact CD1-CD2 4.37Å; I501-L537 HydrophobicContact CG1-CD1 4.34Å; I501-L537 HydrophobicContact CG1-CD2 4.12Å; E533-L537 HydrophobicContact CG-CD1 3.98Å; E533-L537 HydrophobicContact CG-CG 4.31Å; E533-L537 WeakPolarHBondContact O-CG 3.23Å; E533-L537 PolarHBondContact O-N 3.08Å; H534-L537 PolarHBondContact O-N 2.81Å; L537-R539 VanDerWaalsContact C-N 3.27Å; L537-R539 PolarHBondContact O-N 3.3Å; L537-L540 PolarHBondContact O-N 3.13Å; L537-L540 VanDerWaalsContact O-N 3.12Å; L537-L541 WeakPolarHBondContact O-CB 3.46Å; L537-L541 WeakPolarHBondContact O-CG 3.44Å; L537-L541 PolarHBondContact O-N 3.2Å; L537-M854 HydrophobicContact CD2-CE 3.6Å; L537-M854 HydrophobicContact CD2-CG 4.1Å; L537-M854 HydrophobicContact CD2-SD 3.97Å
538	A	92	Very high	88.7	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-53.4	-44	175.3	0	0	0	0	0	111.8	M411 H534 L540 G542 V543 F579	M411-A538 HydrophobicContact CE-CB 4.22Å; M411-A538 HydrophobicContact SD-CB 3.99Å; H534-A538 PolarHBondContact O-N 3.49Å; A538-L540 PolarHBondContact O-N 2.93Å; A538-G542 PolarHBondContact O-N 3.44Å; A538-V543 HydrophobicContact CB-CB 4.19Å; A538-V543 HydrophobicContact CB-CG2 4.08Å; A538-V543 VanDerWaalsContact O-CB 3.31Å; A538-V543 WeakPolarHBondContact O-CB 3.41Å; A538-V543 WeakPolarHBondContact O-CG2 3.38Å; A538-V543 PolarHBondContact O-N 3.4Å; A538-F579 HydrophobicContact CB-CZ 4.29Å
539	R	90.6	Very high	89.4	Confident	19 Å²	19	15.6 Å²	15.6	7%	0.072	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-34.4	179.7	-170.5	60.5	179.2	94.4	-4.3	114	F69 P70 A535 R536 L537 G542 M577 N578 F579	F69-R539 HydrophobicContact CD1-CB 4.44Å; F69-R539 HydrophobicContact CD1-CG 3.56Å; F69-R539 HydrophobicContact CE1-CB 4.35Å; F69-R539 HydrophobicContact CE1-CG 3.79Å; F69-R539 HydrophobicContact CG-CG 4.16Å; P70-R539 PolarHBondContact O-NH1 3.15Å; P70-R539 VanDerWaalsContact O-NH1 3.15Å; A535-R539 PolarHBondContact O-N 2.9Å; R536-R539 PolarHBondContact O-N 2.82Å; L537-R539 VanDerWaalsContact C-N 3.27Å; L537-R539 PolarHBondContact O-N 3.3Å; R539-G542 WeakPolarHBondContact O-CA 3.43Å; R539-G542 PolarHBondContact O-N 3.41Å; R539-M577 WeakPolarHBondContact CD-O 3.43Å; R539-M577 WeakPolarHBondContact CG-O 3.3Å; R539-M577 PolarHBondContact NE-O 2.94Å; R539-M577 VanDerWaalsContact NE-O 3.16Å; R539-N578 PolarHBondContact NE-O 3.09Å; R539-N578 PolarHBondContact NH2-O 3.23Å; R539-F579 HydrophobicContact CB-CE1 4.23Å; R539-F579 HydrophobicContact CB-CE2 3.82Å; R539-F579 HydrophobicContact CB-CZ 3.55Å; R539-F579 HydrophobicContact CG-CE2 4.37Å; R539-F579 HydrophobicContact CG-CZ 4.27Å
540	L	90.4	Very high	89.8	Confident	7 Å²	7	15.2 Å²	15.2	4%	0.037	7%	0.072	C	C	.	.	H	α-helix	trans	-86.4	-39.4	-172.2	-71.4	165.4	0	0	0	113.1	F69 R536 L537 A538 G542 L773 F775 R852 M854	F69-L540 HydrophobicContact CD1-CD2 3.8Å; F69-L540 HydrophobicContact CD1-CG 4.4Å; F69-L540 HydrophobicContact CE1-CD2 4Å; F69-L540 HydrophobicContact CE1-CG 4.33Å; R536-L540 HydrophobicContact CG-CD1 3.96Å; R536-L540 WeakPolarHBondContact O-CD1 3.37Å; R536-L540 WeakPolarHBondContact O-CG 3.24Å; R536-L540 PolarHBondContact O-N 2.89Å; L537-L540 PolarHBondContact O-N 3.13Å; L537-L540 VanDerWaalsContact O-N 3.12Å; A538-L540 PolarHBondContact O-N 2.93Å; L540-G542 PolarHBondContact O-N 3.04Å; L540-L773 HydrophobicContact CD2-CD2 4.03Å; L540-F775 HydrophobicContact CD1-CE1 3.8Å; L540-F775 HydrophobicContact CD1-CE2 4.34Å; L540-F775 HydrophobicContact CD1-CZ 3.3Å; L540-R852 WeakPolarHBondContact O-CD 3.36Å; L540-M854 HydrophobicContact CB-SD 3.95Å; L540-M854 HydrophobicContact CD1-CE 4.34Å; L540-M854 HydrophobicContact CD1-SD 3.78Å
541	L	89.8	Confident	90.1	Very high	10 Å²	10	14.2 Å²	14.2	5%	0.052	7%	0.067	C	C	.	.	H	α-helix	trans	-69.4	-15.1	165.7	-54.6	174.3	0	0	0	110.2	I501 A504 T505 L537 R852 M854	I501-L541 HydrophobicContact CB-CD1 4.31Å; I501-L541 HydrophobicContact CG1-CD1 4.41Å; I501-L541 HydrophobicContact CG2-CD1 4Å; I501-L541 HydrophobicContact CG2-CD2 4.41Å; A504-L541 HydrophobicContact CB-CB 4.49Å; A504-L541 HydrophobicContact CB-CD1 3.44Å; A504-L541 VanDerWaalsContact CB-CD1 3.44Å; T505-L541 HydrophobicContact CG2-CB 4.48Å; T505-L541 HydrophobicContact CG2-CD1 4.28Å; T505-L541 HydrophobicContact CG2-CD2 3.89Å; T505-L541 HydrophobicContact CG2-CG 4.42Å; L537-L541 WeakPolarHBondContact O-CB 3.46Å; L537-L541 WeakPolarHBondContact O-CG 3.44Å; L537-L541 PolarHBondContact O-N 3.2Å; L541-R852 WeakPolarHBondContact O-CD 3.32Å; L541-R852 PolarHBondContact O-NH1 3.43Å; L541-M854 HydrophobicContact CD2-CG 3.88Å; L541-M854 HydrophobicContact CG-CG 4.48Å
542	G	83.9	Confident	90.2	Very high	8 Å²	8	16.3 Å²	16.3	8%	0.082	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	34.7	158.9	0	0	0	0	0	113.7	N72 A538 R539 L540 S544 R852	N72-G542 PolarHBondContact ND2-O 3.48Å; A538-G542 PolarHBondContact O-N 3.44Å; R539-G542 WeakPolarHBondContact O-CA 3.43Å; R539-G542 PolarHBondContact O-N 3.41Å; L540-G542 PolarHBondContact O-N 3.04Å; G542-S544 PolarHBondContact O-N 2.97Å; G542-R852 VanDerWaalsContact CA-NH1 3.29Å; G542-R852 PolarHBondContact O-NH1 3.24Å
543	V	85.8	Confident	90.4	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.018	6%	0.057	C	C	.	.			trans	-48	124	159.1	179	0	0	0	0	108.5	A509 A510 A538 R545	A509-V543 VanDerWaalsContact C-CG1 3.47Å; A510-V543 HydrophobicContact CB-CG1 3.74Å; A510-V543 VanDerWaalsContact N-CG1 3.34Å; A538-V543 HydrophobicContact CB-CB 4.19Å; A538-V543 HydrophobicContact CB-CG2 4.08Å; A538-V543 VanDerWaalsContact O-CB 3.31Å; A538-V543 WeakPolarHBondContact O-CB 3.41Å; A538-V543 WeakPolarHBondContact O-CG2 3.38Å; A538-V543 PolarHBondContact O-N 3.4Å; V543-R545 WeakPolarHBondContact CG1-O 3.29Å
544	S	77.9	Confident	90.5	Very high	40 Å²	40	12.2 Å²	12.2	28%	0.28	6%	0.063	S	C	.	.	S	Bend	trans	-82.7	-32.4	-170.5	64.8	0	0	0	0	113.2	D508 G542	D508-S544 PolarHBondContact O-N 2.64Å; D508-S544 PolarHBondContact O-OG 3.31Å; G542-S544 PolarHBondContact O-N 2.97Å
545	R	84.5	Confident	90.5	Very high	24 Å²	24	15.6 Å²	15.6	9%	0.091	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	136.2	-175.7	-63.1	-65.4	175	143.5	-11.9	110.7	A509 A510 V543 I638	A509-R545 WeakPolarHBondContact CA-O 3.39Å; A509-R545 HydrophobicContact CB-CB 4.48Å; A510-R545 PolarHBondContact N-O 3.45Å; V543-R545 WeakPolarHBondContact CG1-O 3.29Å; R545-I638 HydrophobicContact CB-CG1 4.28Å; R545-I638 HydrophobicContact CB-CG2 4.47Å; R545-I638 HydrophobicContact CG-CG2 4.49Å
546	L	90	Very high	90.4	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.031	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.6	179.2	-168.2	69.6	0	0	0	109.1	A510 L512 L574 F579	A510-L546 HydrophobicContact CB-CD1 3.74Å; A510-L546 WeakPolarHBondContact O-CA 3.41Å; L512-L546 HydrophobicContact CB-CD1 4.02Å; L512-L546 HydrophobicContact CB-CG 4.35Å; L512-L546 HydrophobicContact CD2-CD2 4.3Å; L546-L574 HydrophobicContact CD2-CD1 3.91Å; L546-L574 HydrophobicContact CD2-CD2 3.63Å; L546-L574 HydrophobicContact CD2-CG 4.44Å; L546-F579 HydrophobicContact CB-CD1 4.07Å; L546-F579 HydrophobicContact CB-CE1 4.11Å; L546-F579 HydrophobicContact CD2-CD1 4.41Å; L546-F579 HydrophobicContact CD2-CD2 4.21Å; L546-F579 HydrophobicContact CD2-CE1 4.29Å; L546-F579 HydrophobicContact CD2-CE2 4.08Å; L546-F579 HydrophobicContact CD2-CG 4.36Å; L546-F579 HydrophobicContact CD2-CZ 4.11Å
547	I	91.9	Very high	90.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.1	168.1	-60.4	179.5	0	0	0	107.2	A510 L511 L512 M583 L623 L626 I627 I638	A510-I547 PolarHBondContact O-N 3Å; L511-I547 CarbonylContact C-O 3.47Å; L511-I547 WeakPolarHBondContact CA-O 3.44Å; L511-I547 HydrophobicContact CD1-CB 3.92Å; L511-I547 HydrophobicContact CD1-CG2 3.71Å; L512-I547 PolarHBondContact N-O 3.07Å; I547-M583 HydrophobicContact CD1-CE 4.06Å; I547-M583 HydrophobicContact CG1-CE 3.95Å; I547-L623 HydrophobicContact CG2-CD1 4.3Å; I547-L626 HydrophobicContact CD1-CB 4.13Å; I547-L626 HydrophobicContact CG2-CD1 4.38Å; I547-I627 HydrophobicContact CD1-CG1 4.03Å; I547-I638 HydrophobicContact CD1-CD1 3.64Å; I547-I638 HydrophobicContact CD1-CG1 4.06Å; I547-I638 HydrophobicContact CG1-CD1 4.38Å
548	V	94.2	Very high	90.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.9	175	175.7	0	0	0	0	109	L512 I514 V550 I570 L574 V582 M583 Y584 C585	L512-V548 HydrophobicContact CB-CG2 4.44Å; L512-V548 HydrophobicContact CD2-CG2 4.47Å; L512-V548 WeakPolarHBondContact O-CA 3.4Å; I514-V548 HydrophobicContact CD1-CG1 3.5Å; I514-V548 VanDerWaalsContact CD1-CG1 3.5Å; I514-V548 HydrophobicContact CG1-CG1 4Å; V548-V550 HydrophobicContact CG1-CG2 4.31Å; V548-I570 HydrophobicContact CG2-CG2 4.33Å; V548-L574 HydrophobicContact CG2-CD1 3.96Å; V548-V582 HydrophobicContact CB-CG1 4.45Å; V548-V582 HydrophobicContact CG2-CG1 3.61Å; V548-M583 PolarHBondContact N-O 2.97Å; V548-Y584 HydrophobicContact CB-CD1 3.81Å; V548-Y584 HydrophobicContact CB-CE1 4.08Å; V548-Y584 HydrophobicContact CB-CG 4.42Å; V548-Y584 HydrophobicContact CG1-CD1 3.74Å; V548-Y584 HydrophobicContact CG1-CE1 4Å; V548-Y584 HydrophobicContact CG2-CD1 4.42Å; V548-Y584 HydrophobicContact CG2-CE1 4.2Å; V548-Y584 CarbonylContact O-C 3.56Å; V548-Y584 WeakPolarHBondContact O-CA 3.37Å; V548-C585 PolarHBondContact O-N 3.28Å
549	A	95.2	Very high	90.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.3	171.9	0	0	0	0	0	109.6	L421 L511 L512 V513 I514 N551 C585 V587	L421-A549 HydrophobicContact CD2-CB 4.33Å; L511-A549 HydrophobicContact CD1-CB 3.82Å; L512-A549 PolarHBondContact O-N 3.09Å; V513-A549 WeakPolarHBondContact CA-O 3.44Å; I514-A549 PolarHBondContact N-O 3.35Å; A549-N551 PolarHBondContact O-N 2.87Å; A549-C585 CarbonylContact C-O 3.58Å; A549-C585 WeakPolarHBondContact CA-O 3.35Å; A549-V587 HydrophobicContact CB-CG2 4.01Å
550	V	95.7	Very high	90.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	101.1	174.6	-176	0	0	0	0	107.4	I514 A516 V548 M553 F563 I566 C585 V587	I514-V550 CarbonylContact O-C 3.33Å; I514-V550 WeakPolarHBondContact O-CA 3.26Å; A516-V550 HydrophobicContact CB-CG1 3.95Å; V548-V550 HydrophobicContact CG1-CG2 4.31Å; V550-M553 HydrophobicContact CB-SD 4.48Å; V550-M553 HydrophobicContact CG1-CG 4.34Å; V550-M553 HydrophobicContact CG1-SD 3.67Å; V550-M553 WeakPolarHBondContact O-CG 3.27Å; V550-F563 HydrophobicContact CB-CD2 4.09Å; V550-F563 HydrophobicContact CB-CE2 4.02Å; V550-F563 HydrophobicContact CG1-CD2 4.28Å; V550-F563 HydrophobicContact CG2-CD2 4.07Å; V550-F563 HydrophobicContact CG2-CE2 3.77Å; V550-I566 HydrophobicContact CG1-CD1 3.94Å; V550-I566 HydrophobicContact CG1-CG2 4.25Å; V550-I566 HydrophobicContact CG2-CG2 3.87Å; V550-C585 PolarHBondContact N-O 3.12Å; V550-V587 PolarHBondContact O-N 3.31Å; V550-V587 VanDerWaalsContact O-O 3.13Å
551	N	95.6	Very high	90.5	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.032	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	168	-175.1	-165.3	20.2	0	0	0	111.9	A416 V513 I514 A516 A549 M553 V587 G589	A416-N551 PolarHBondContact O-ND2 3.05Å; V513-N551 HydrophobicContact CG1-CB 3.71Å; I514-N551 PolarHBondContact O-N 2.93Å; A516-N551 VanDerWaalsContact CB-O 3.23Å; A516-N551 WeakPolarHBondContact CB-O 3.26Å; A516-N551 PolarHBondContact N-O 2.7Å; A549-N551 PolarHBondContact O-N 2.87Å; N551-M553 VanDerWaalsContact C-N 3.26Å; N551-M553 PolarHBondContact O-N 3.35Å; N551-V587 WeakPolarHBondContact CA-O 3.48Å; N551-V587 HydrophobicContact CB-CG2 4.04Å; N551-G589 PolarHBondContact OD1-N 3.16Å
552	K	93.6	Very high	90.7	Very high	50 Å²	50	32.5 Å²	32.5	22%	0.217	18%	0.179	C	C	.	.			trans	59.4	28.8	-171.8	-53.9	-164.4	-163.7	176	0	113.7	D415 N515 E520 D554 T555	D415-K552 WeakPolarHBondContact O-CE 3.1Å; D415-K552 PolarHBondContact O-NZ 2.97Å; D415-K552 VanDerWaalsContact O-NZ 3.15Å; N515-K552 VanDerWaalsContact ND2-CE 3.34Å; N515-K552 WeakPolarHBondContact ND2-CE 3.29Å; N515-K552 PolarHBondContact ND2-NZ 3.34Å; N515-K552 WeakPolarHBondContact OD1-CD 2.87Å; E520-K552 IonicContact OE1-NZ 3.95Å; E520-K552 PolarHBondContact OE1-NZ 3.03Å; E520-K552 IonicContact OE2-NZ 3.74Å; E520-K552 PolarHBondContact OE2-NZ 3.05Å; K552-D554 WeakPolarHBondContact CA-OD1 3.49Å; K552-D554 PolarHBondContact O-N 2.89Å; K552-T555 HydrophobicContact CB-CG2 4.05Å; K552-T555 HydrophobicContact CD-CG2 4.42Å; K552-T555 PolarHBondContact O-N 2.9Å; K552-T555 PolarHBondContact O-OG1 2.83Å
553	M	93.1	Very high	91.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-60.9	-18.4	177.4	-74.1	-63.9	-53.6	0	0	113.6	A516 V550 N551 V556 E557 W558 F563 P586 V587 W617	A516-M553 HydrophobicContact CB-CG 4.45Å; A516-M553 HydrophobicContact CB-SD 3.72Å; V550-M553 HydrophobicContact CB-SD 4.48Å; V550-M553 HydrophobicContact CG1-CG 4.34Å; V550-M553 HydrophobicContact CG1-SD 3.67Å; V550-M553 WeakPolarHBondContact O-CG 3.27Å; N551-M553 VanDerWaalsContact C-N 3.26Å; N551-M553 PolarHBondContact O-N 3.35Å; M553-V556 HydrophobicContact CE-CG2 3.93Å; M553-V556 CarbonylContact O-C 3.56Å; M553-V556 WeakPolarHBondContact O-CG2 3.45Å; M553-V556 PolarHBondContact O-N 2.92Å; M553-V556 HydrophobicContact SD-CG2 4.11Å; M553-E557 PolarHBondContact O-N 3.42Å; M553-W558 HydrophobicContact CB-CD2 3.88Å; M553-W558 HydrophobicContact CB-CE3 3.38Å; M553-W558 HydrophobicContact CB-CH2 3.84Å; M553-W558 HydrophobicContact CB-CZ2 4.26Å; M553-W558 HydrophobicContact CB-CZ3 3.38Å; M553-W558 HydrophobicContact CG-CE3 4.16Å; M553-W558 HydrophobicContact CG-CZ3 4.01Å; M553-W558 PolarHBondContact O-N 3.07Å; M553-F563 HydrophobicContact CE-CB 4.17Å; M553-F563 HydrophobicContact SD-CD2 4.35Å; M553-P586 HydrophobicContact CG-CB 3.95Å; M553-P586 HydrophobicContact SD-CB 4.49Å; M553-V587 PolarHBondContact N-O 3.45Å; M553-W617 HydrophobicContact CE-CZ2 4.42Å
554	D	90.5	Very high	91.7	Very high	50 Å²	50	35.4 Å²	35.4	27%	0.267	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-63.6	-32.3	169.3	49.3	-67.1	0	0	0	113.9	K552 V556 E557 S588 V591	K552-D554 WeakPolarHBondContact CA-OD1 3.49Å; K552-D554 PolarHBondContact O-N 2.89Å; D554-V556 PolarHBondContact O-N 3Å; D554-E557 PolarHBondContact O-N 3.37Å; D554-S588 VanDerWaalsContact CG-OG 3.29Å; D554-S588 WeakPolarHBondContact OD1-CB 2.96Å; D554-S588 PolarHBondContact OD1-OG 3.03Å; D554-V591 HydrophobicContact CB-CG2 4.23Å
555	T	91.6	Very high	92.5	Very high	71 Å²	71	37.1 Å²	37.1	44%	0.436	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-73.7	-14.3	177.8	68.6	0	0	0	0	113.2	T517 K552	T517-T555 PolarHBondContact OG1-OG1 3.43Å; K552-T555 HydrophobicContact CB-CG2 4.05Å; K552-T555 HydrophobicContact CD-CG2 4.42Å; K552-T555 PolarHBondContact O-N 2.9Å; K552-T555 PolarHBondContact O-OG1 2.83Å
556	V	91.2	Very high	93.1	Very high	22 Å²	22	36 Å²	36	13%	0.133	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-117.4	22.8	177.6	-61.3	0	0	0	0	111.8	A516 M553 D554 W558 C559 R562	A516-V556 HydrophobicContact CB-CG2 3.93Å; M553-V556 HydrophobicContact CE-CG2 3.93Å; M553-V556 CarbonylContact O-C 3.56Å; M553-V556 WeakPolarHBondContact O-CG2 3.45Å; M553-V556 PolarHBondContact O-N 2.92Å; M553-V556 HydrophobicContact SD-CG2 4.11Å; D554-V556 PolarHBondContact O-N 3Å; V556-W558 PolarHBondContact O-N 3.28Å; V556-C559 WeakPolarHBondContact O-CB 3.42Å; V556-C559 PolarHBondContact O-N 3.06Å; V556-R562 HydrophobicContact CG1-CG 4.38Å
557	E	89.2	Confident	93.3	Very high	164 Å²	164	39 Å²	39	77%	0.766	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	32.2	174.8	-58.8	-177.9	169.7	0	0	114.3	M553 D554 C559	M553-E557 PolarHBondContact O-N 3.42Å; D554-E557 PolarHBondContact O-N 3.37Å; E557-C559 PolarHBondContact O-N 3Å
558	W	89.4	Confident	93.4	Very high	7 Å²	7	43.5 Å²	43.5	3%	0.027	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	27.5	-176.1	-57.5	91.1	0	0	0	114.9	M553 V556 Q560 P586 A593 N613 L614 W617	M553-W558 HydrophobicContact CB-CD2 3.88Å; M553-W558 HydrophobicContact CB-CE3 3.38Å; M553-W558 HydrophobicContact CB-CH2 3.84Å; M553-W558 HydrophobicContact CB-CZ2 4.26Å; M553-W558 HydrophobicContact CB-CZ3 3.38Å; M553-W558 HydrophobicContact CG-CE3 4.16Å; M553-W558 HydrophobicContact CG-CZ3 4.01Å; M553-W558 PolarHBondContact O-N 3.07Å; V556-W558 PolarHBondContact O-N 3.28Å; W558-Q560 PolarHBondContact O-N 2.89Å; W558-P586 HydrophobicContact CZ3-CB 4.4Å; W558-A593 HydrophobicContact CH2-CB 3.48Å; W558-A593 VanDerWaalsContact CH2-CB 3.48Å; W558-A593 HydrophobicContact CZ2-CB 3.55Å; W558-N613 HydrophobicContact CB-CB 4.35Å; W558-L614 HydrophobicContact CD2-CB 4.1Å; W558-L614 HydrophobicContact CD2-CD1 4.43Å; W558-L614 HydrophobicContact CE3-CB 3.87Å; W558-L614 HydrophobicContact CE3-CD1 3.43Å; W558-L614 VanDerWaalsContact CE3-CD1 3.43Å; W558-L614 HydrophobicContact CE3-CD2 3.99Å; W558-L614 HydrophobicContact CE3-CG 3.94Å; W558-L614 HydrophobicContact CG-CB 4.44Å; W558-L614 HydrophobicContact CH2-CD2 4.23Å; W558-L614 HydrophobicContact CZ3-CB 4.39Å; W558-L614 HydrophobicContact CZ3-CD1 3.75Å; W558-L614 HydrophobicContact CZ3-CD2 3.66Å; W558-L614 HydrophobicContact CZ3-CG 4.12Å; W558-W617 PolarHBondContact O-NE1 3.22Å
559	C	90.9	Very high	93.3	Very high	52 Å²	52	46.7 Å²	46.7	35%	0.351	25%	0.248	S	C	.	.			trans	-63.4	116.4	-177.2	-173.2	0	0	0	0	113.4	V556 E557 S561 R562 F563	V556-C559 WeakPolarHBondContact O-CB 3.42Å; V556-C559 PolarHBondContact O-N 3.06Å; E557-C559 PolarHBondContact O-N 3Å; C559-S561 VanDerWaalsContact C-N 3.35Å; C559-S561 PolarHBondContact O-N 3.43Å; C559-S561 PolarHBondContact SG-OG 3.31Å; C559-R562 PolarHBondContact O-N 2.69Å; C559-F563 PolarHBondContact O-N 2.87Å
560	Q	92.8	Very high	93.2	Very high	89 Å²	89	46.8 Å²	46.8	42%	0.416	25%	0.248	S	C	.	.	H	α-helix	trans	-61.4	-37.3	-178.7	-174.2	-179	18.5	0	0	113.2	W558 R562 F563 N564 W617	W558-Q560 PolarHBondContact O-N 2.89Å; Q560-R562 PolarHBondContact O-N 3.44Å; Q560-F563 PolarHBondContact O-N 2.78Å; Q560-N564 VanDerWaalsContact O-CG 3.29Å; Q560-N564 PolarHBondContact O-N 2.92Å; Q560-W617 HydrophobicContact CB-CD2 3.78Å; Q560-W617 HydrophobicContact CB-CE3 4.21Å; Q560-W617 HydrophobicContact CB-CG 3.98Å; Q560-W617 HydrophobicContact CB-CZ2 4.37Å; Q560-W617 HydrophobicContact CG-CB 4.45Å; Q560-W617 HydrophobicContact CG-CD2 3.72Å; Q560-W617 HydrophobicContact CG-CE3 3.66Å; Q560-W617 HydrophobicContact CG-CG 4.08Å; Q560-W617 HydrophobicContact CG-CZ3 4.16Å
561	S	94.3	Very high	93	Very high	81 Å²	81	48.1 Å²	48.1	57%	0.566	26%	0.258	S	S	*	.	H	α-helix	trans	-64.9	-40.4	-177.4	61.9	0	0	0	0	111.8	C559 N564 E565	C559-S561 VanDerWaalsContact C-N 3.35Å; C559-S561 PolarHBondContact O-N 3.43Å; C559-S561 PolarHBondContact SG-OG 3.31Å; S561-N564 PolarHBondContact O-N 2.79Å; S561-E565 WeakPolarHBondContact O-CB 3.21Å; S561-E565 PolarHBondContact O-N 3.06Å
562	R	94.4	Very high	92.8	Very high	7 Å²	7	51.5 Å²	51.5	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-65.3	-39.9	174	-179.3	53.4	170.6	-174.1	-1.3	111.9	A516 T517 F521 E522 V556 C559 Q560 E565 I566	A516-R562 PolarHBondContact O-NE 3.27Å; A516-R562 VanDerWaalsContact O-NE 3.08Å; A516-R562 PolarHBondContact O-NH2 3.25Å; T517-R562 PolarHBondContact O-NH2 3.12Å; F521-R562 VanDerWaalsContact CB-NH2 3.35Å; E522-R562 IonicContact OE1-CZ 2.68Å; E522-R562 VanDerWaalsContact OE1-CZ 3.3Å; E522-R562 IonicContact OE1-NH1 3.7Å; E522-R562 PolarHBondContact OE1-NH1 3.37Å; E522-R562 IonicContact OE1-NH2 2.64Å; E522-R562 PolarHBondContact OE1-NH2 3.02Å; E522-R562 IonicContact OE2-NH2 3.3Å; E522-R562 PolarHBondContact OE2-NH2 3.5Å; V556-R562 HydrophobicContact CG1-CG 4.38Å; C559-R562 PolarHBondContact O-N 2.69Å; Q560-R562 PolarHBondContact O-N 3.44Å; R562-E565 WeakPolarHBondContact CD-OE2 3.4Å; R562-E565 IonicContact CZ-OE2 2.77Å; R562-E565 IonicContact NE-OE2 2.89Å; R562-E565 VanDerWaalsContact NH1-CD 3.27Å; R562-E565 IonicContact NH1-OE1 2.76Å; R562-E565 PolarHBondContact NH1-OE1 2.86Å; R562-E565 VanDerWaalsContact NH1-OE1 3.14Å; R562-E565 IonicContact NH1-OE2 3.4Å; R562-E565 PolarHBondContact NH1-OE2 3.29Å; R562-E565 WeakPolarHBondContact O-CB 3.48Å; R562-E565 PolarHBondContact O-N 3.5Å; R562-I566 HydrophobicContact CG-CD1 3.93Å; R562-I566 WeakPolarHBondContact O-CB 3.08Å; R562-I566 WeakPolarHBondContact O-CD1 3.43Å; R562-I566 VanDerWaalsContact O-CG1 3.25Å; R562-I566 WeakPolarHBondContact O-CG1 3.35Å; R562-I566 PolarHBondContact O-N 3.26Å
563	F	95	Very high	92.6	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-44.5	174.6	179.7	-96	0	0	0	112	V550 M553 C559 Q560 I566 Q567 P586 W617	V550-F563 HydrophobicContact CB-CD2 4.09Å; V550-F563 HydrophobicContact CB-CE2 4.02Å; V550-F563 HydrophobicContact CG1-CD2 4.28Å; V550-F563 HydrophobicContact CG2-CD2 4.07Å; V550-F563 HydrophobicContact CG2-CE2 3.77Å; M553-F563 HydrophobicContact CE-CB 4.17Å; M553-F563 HydrophobicContact SD-CD2 4.35Å; C559-F563 PolarHBondContact O-N 2.87Å; Q560-F563 PolarHBondContact O-N 2.78Å; F563-I566 PolarHBondContact O-N 3.11Å; F563-Q567 WeakPolarHBondContact O-CB 3.38Å; F563-Q567 PolarHBondContact O-N 3.2Å; F563-P586 HydrophobicContact CD2-CB 3.87Å; F563-P586 HydrophobicContact CD2-CG 4.48Å; F563-P586 HydrophobicContact CE2-CB 3.74Å; F563-P586 HydrophobicContact CE2-CG 4.06Å; F563-P586 HydrophobicContact CZ-CG 4.37Å; F563-W617 HydrophobicContact CB-CH2 3.78Å; F563-W617 HydrophobicContact CB-CZ2 4.44Å; F563-W617 HydrophobicContact CB-CZ3 4.48Å; F563-W617 AromaticContact CD1-CH2 3.71Å; F563-W617 HydrophobicContact CD1-CH2 3.71Å; F563-W617 AromaticContact CD1-CZ3 3.71Å; F563-W617 HydrophobicContact CD1-CZ3 3.71Å; F563-W617 HydrophobicContact CD2-CH2 4.22Å; F563-W617 HydrophobicContact CE1-CH2 4.34Å; F563-W617 HydrophobicContact CE1-CZ3 4.15Å; F563-W617 AromaticContact CG-CH2 3.63Å; F563-W617 HydrophobicContact CG-CH2 3.63Å; F563-W617 HydrophobicContact CG-CZ3 4.14Å
564	N	95.2	Very high	92.4	Very high	65 Å²	65	50.4 Å²	50.4	35%	0.348	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-37.4	178.2	-67.9	-11.4	0	0	0	112.5	Q560 S561 T568	Q560-N564 VanDerWaalsContact O-CG 3.29Å; Q560-N564 PolarHBondContact O-N 2.92Å; S561-N564 PolarHBondContact O-N 2.79Å; N564-T568 WeakPolarHBondContact O-CB 3.19Å; N564-T568 PolarHBondContact O-N 2.93Å; N564-T568 PolarHBondContact O-OG1 2.85Å
565	E	95.1	Very high	92.3	Very high	76 Å²	76	54.7 Å²	54.7	36%	0.355	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-53.6	172.7	-172.2	-155.1	163.3	0	0	110.8	S561 R562 Q567 T568 Q569	S561-E565 WeakPolarHBondContact O-CB 3.21Å; S561-E565 PolarHBondContact O-N 3.06Å; R562-E565 WeakPolarHBondContact CD-OE2 3.4Å; R562-E565 IonicContact CZ-OE2 2.77Å; R562-E565 IonicContact NE-OE2 2.89Å; R562-E565 VanDerWaalsContact NH1-CD 3.27Å; R562-E565 IonicContact NH1-OE1 2.76Å; R562-E565 PolarHBondContact NH1-OE1 2.86Å; R562-E565 VanDerWaalsContact NH1-OE1 3.14Å; R562-E565 IonicContact NH1-OE2 3.4Å; R562-E565 PolarHBondContact NH1-OE2 3.29Å; R562-E565 WeakPolarHBondContact O-CB 3.48Å; R562-E565 PolarHBondContact O-N 3.5Å; E565-Q567 VanDerWaalsContact C-N 3.33Å; E565-Q567 PolarHBondContact O-N 3.17Å; E565-T568 PolarHBondContact O-N 3.46Å; E565-T568 VanDerWaalsContact O-N 3.12Å; E565-Q569 PolarHBondContact O-N 3.06Å; E565-Q569 PolarHBondContact OE1-NE2 3.03Å; E565-Q569 VanDerWaalsContact OE1-NE2 3.12Å
566	I	95.4	Very high	91.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.3	-47.6	177.5	-71.6	166.5	0	0	0	110.8	I514 A516 F521 V550 R562 F563 T568 Q569 I570	I514-I566 HydrophobicContact CG2-CG2 4.24Å; A516-I566 HydrophobicContact CB-CD1 4.22Å; F521-I566 HydrophobicContact CD1-CG1 4.18Å; F521-I566 HydrophobicContact CD2-CD1 4.44Å; F521-I566 HydrophobicContact CD2-CG1 3.98Å; F521-I566 HydrophobicContact CD2-CG2 4.37Å; F521-I566 HydrophobicContact CE1-CG1 3.89Å; F521-I566 HydrophobicContact CE2-CB 4Å; F521-I566 HydrophobicContact CE2-CG1 3.69Å; F521-I566 HydrophobicContact CE2-CG2 3.61Å; F521-I566 HydrophobicContact CG-CG1 4.21Å; F521-I566 HydrophobicContact CZ-CB 3.92Å; F521-I566 HydrophobicContact CZ-CG1 3.63Å; F521-I566 HydrophobicContact CZ-CG2 3.97Å; V550-I566 HydrophobicContact CG1-CD1 3.94Å; V550-I566 HydrophobicContact CG1-CG2 4.25Å; V550-I566 HydrophobicContact CG2-CG2 3.87Å; R562-I566 HydrophobicContact CG-CD1 3.93Å; R562-I566 WeakPolarHBondContact O-CB 3.08Å; R562-I566 WeakPolarHBondContact O-CD1 3.43Å; R562-I566 VanDerWaalsContact O-CG1 3.25Å; R562-I566 WeakPolarHBondContact O-CG1 3.35Å; R562-I566 PolarHBondContact O-N 3.26Å; F563-I566 PolarHBondContact O-N 3.11Å; I566-T568 VanDerWaalsContact C-N 3.32Å; I566-T568 PolarHBondContact O-N 3.3Å; I566-Q569 PolarHBondContact O-N 3.44Å; I566-I570 WeakPolarHBondContact O-CB 3.35Å; I566-I570 WeakPolarHBondContact O-CG1 3.34Å; I566-I570 PolarHBondContact O-N 2.84Å
567	Q	94.1	Very high	91.5	Very high	69 Å²	69	52.9 Å²	52.9	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-42.4	178	-175	178.6	19.7	0	0	111.6	F563 E565 S571 Y584	F563-Q567 WeakPolarHBondContact O-CB 3.38Å; F563-Q567 PolarHBondContact O-N 3.2Å; E565-Q567 VanDerWaalsContact C-N 3.33Å; E565-Q567 PolarHBondContact O-N 3.17Å; Q567-S571 WeakPolarHBondContact O-CA 3.42Å; Q567-S571 WeakPolarHBondContact O-CB 3.47Å; Q567-S571 PolarHBondContact O-N 2.85Å; Q567-Y584 HydrophobicContact CB-CD1 4.3Å; Q567-Y584 HydrophobicContact CB-CE1 4.39Å; Q567-Y584 HydrophobicContact CG-CD1 3.89Å; Q567-Y584 HydrophobicContact CG-CD2 3.97Å; Q567-Y584 HydrophobicContact CG-CE1 3.92Å; Q567-Y584 HydrophobicContact CG-CE2 4.03Å; Q567-Y584 HydrophobicContact CG-CG 3.91Å
568	T	94.4	Very high	91.2	Very high	97 Å²	97	47 Å²	47	60%	0.595	26%	0.257	S	S	*	.	H	α-helix	trans	-66	-49	-179.4	-59.3	0	0	0	0	111.4	N564 E565 I566 S571 S572	N564-T568 WeakPolarHBondContact O-CB 3.19Å; N564-T568 PolarHBondContact O-N 2.93Å; N564-T568 PolarHBondContact O-OG1 2.85Å; E565-T568 PolarHBondContact O-N 3.46Å; E565-T568 VanDerWaalsContact O-N 3.12Å; I566-T568 VanDerWaalsContact C-N 3.32Å; I566-T568 PolarHBondContact O-N 3.3Å; T568-S571 PolarHBondContact O-N 2.91Å; T568-S572 PolarHBondContact O-N 2.98Å; T568-S572 VanDerWaalsContact O-N 3.08Å
569	Q	92.9	Very high	90.7	Very high	67 Å²	67	47.7 Å²	47.7	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-61.1	-51	178.3	-66	-170.5	29.9	0	0	111	F521 I525 E565 I566 S571 S572 F573	F521-Q569 HydrophobicContact CZ-CB 4.25Å; I525-Q569 HydrophobicContact CD1-CB 4.36Å; E565-Q569 PolarHBondContact O-N 3.06Å; E565-Q569 PolarHBondContact OE1-NE2 3.03Å; E565-Q569 VanDerWaalsContact OE1-NE2 3.12Å; I566-Q569 PolarHBondContact O-N 3.44Å; Q569-S571 VanDerWaalsContact C-N 3.35Å; Q569-S571 PolarHBondContact O-N 3.34Å; Q569-S572 PolarHBondContact O-N 3.43Å; Q569-S572 PolarHBondContact O-OG 2.96Å; Q569-F573 PolarHBondContact O-N 3.44Å; Q569-F573 VanDerWaalsContact O-N 3.14Å
570	I	93.3	Very high	89.8	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-34.6	179.7	-68.5	-68.7	0	0	0	112.1	I514 F521 I525 V548 I566 F573 L574 Y584	I514-I570 HydrophobicContact CD1-CB 4.37Å; I514-I570 HydrophobicContact CD1-CD1 3.51Å; I514-I570 HydrophobicContact CD1-CG1 3.58Å; I514-I570 HydrophobicContact CD1-CG2 3.96Å; F521-I570 HydrophobicContact CE2-CG1 4.18Å; F521-I570 HydrophobicContact CZ-CG1 4.4Å; I525-I570 HydrophobicContact CD1-CD1 3.41Å; I525-I570 VanDerWaalsContact CD1-CD1 3.41Å; I525-I570 HydrophobicContact CD1-CG1 3.89Å; I525-I570 HydrophobicContact CG1-CD1 3.85Å; V548-I570 HydrophobicContact CG2-CG2 4.33Å; I566-I570 WeakPolarHBondContact O-CB 3.35Å; I566-I570 WeakPolarHBondContact O-CG1 3.34Å; I566-I570 PolarHBondContact O-N 2.84Å; I570-F573 PolarHBondContact O-N 2.77Å; I570-L574 HydrophobicContact CG2-CD1 3.48Å; I570-L574 VanDerWaalsContact CG2-CD1 3.48Å; I570-L574 HydrophobicContact CG2-CG 3.97Å; I570-L574 WeakPolarHBondContact O-CB 3.44Å; I570-L574 VanDerWaalsContact O-CG 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.49Å; I570-L574 PolarHBondContact O-N 2.85Å; I570-Y584 HydrophobicContact CB-CE1 4.23Å; I570-Y584 HydrophobicContact CG2-CE1 3.8Å
571	S	92.1	Very high	89	Confident	29 Å²	29	46.7 Å²	46.7	20%	0.203	27%	0.27	C	S	.	.	H	α-helix	trans	-63.8	-43.6	175.4	-172.9	0	0	0	0	111.7	Q567 T568 Q569 F573 L574 K575 Y584	Q567-S571 WeakPolarHBondContact O-CA 3.42Å; Q567-S571 WeakPolarHBondContact O-CB 3.47Å; Q567-S571 PolarHBondContact O-N 2.85Å; T568-S571 PolarHBondContact O-N 2.91Å; Q569-S571 VanDerWaalsContact C-N 3.35Å; Q569-S571 PolarHBondContact O-N 3.34Å; S571-F573 VanDerWaalsContact C-N 3.32Å; S571-F573 PolarHBondContact O-N 3.41Å; S571-L574 PolarHBondContact O-N 2.78Å; S571-K575 WeakPolarHBondContact O-CB 3.36Å; S571-K575 WeakPolarHBondContact O-CD 3.45Å; S571-K575 WeakPolarHBondContact O-CG 3.36Å; S571-K575 PolarHBondContact O-N 2.74Å; S571-K575 WeakPolarHBondContact OG-CE 3.48Å; S571-K575 PolarHBondContact OG-NZ 3.22Å; S571-K575 VanDerWaalsContact OG-NZ 3.17Å; S571-Y584 VanDerWaalsContact CA-OH 3.23Å; S571-Y584 WeakPolarHBondContact CA-OH 3.43Å; S571-Y584 WeakPolarHBondContact CB-OH 3.1Å; S571-Y584 PolarHBondContact N-OH 2.73Å
572	S	90.2	Very high	88.6	Confident	76 Å²	76	44.2 Å²	44.2	53%	0.531	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-41.4	177	75.2	0	0	0	0	111.7	T568 Q569 S576	T568-S572 PolarHBondContact O-N 2.98Å; T568-S572 VanDerWaalsContact O-N 3.08Å; Q569-S572 PolarHBondContact O-N 3.43Å; Q569-S572 PolarHBondContact O-OG 2.96Å; S572-S576 PolarHBondContact O-N 3.31Å
573	F	89.3	Confident	88.2	Confident	24 Å²	24	44.9 Å²	44.9	11%	0.105	26%	0.255	C	S	.	.	H	α-helix	trans	-64.2	-50	175.9	172	-112	0	0	0	113.1	R532 A535 Q569 I570 S571 K575 S576 M577	R532-F573 HydrophobicContact CB-CE1 4.46Å; R532-F573 HydrophobicContact CB-CE2 4.12Å; R532-F573 HydrophobicContact CB-CZ 3.73Å; R532-F573 HydrophobicContact CG-CE2 3.56Å; R532-F573 HydrophobicContact CG-CZ 3.57Å; A535-F573 HydrophobicContact CB-CE1 3.75Å; A535-F573 HydrophobicContact CB-CZ 4.18Å; Q569-F573 PolarHBondContact O-N 3.44Å; Q569-F573 VanDerWaalsContact O-N 3.14Å; I570-F573 PolarHBondContact O-N 2.77Å; S571-F573 VanDerWaalsContact C-N 3.32Å; S571-F573 PolarHBondContact O-N 3.41Å; F573-K575 VanDerWaalsContact C-N 3.33Å; F573-K575 PolarHBondContact O-N 3.4Å; F573-S576 WeakPolarHBondContact O-CB 3.37Å; F573-S576 PolarHBondContact O-N 3.26Å; F573-S576 VanDerWaalsContact O-N 3.1Å; F573-S576 PolarHBondContact O-OG 3.15Å; F573-M577 HydrophobicContact CE1-CE 4.22Å; F573-M577 HydrophobicContact CE1-SD 4.05Å; F573-M577 HydrophobicContact CE2-CE 3.46Å; F573-M577 VanDerWaalsContact CE2-CE 3.46Å; F573-M577 HydrophobicContact CE2-SD 4.16Å; F573-M577 HydrophobicContact CZ-CE 3.23Å; F573-M577 HydrophobicContact CZ-SD 3.62Å; F573-M577 PolarHBondContact O-N 3.25Å
574	L	90.1	Very high	88	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-69.8	-29	-178.5	-66.7	175.1	0	0	0	112.9	A535 L546 V548 I570 S571 S576 M577 N578 F579 V582	A535-L574 HydrophobicContact CB-CD2 4.12Å; L546-L574 HydrophobicContact CD2-CD1 3.91Å; L546-L574 HydrophobicContact CD2-CD2 3.63Å; L546-L574 HydrophobicContact CD2-CG 4.44Å; V548-L574 HydrophobicContact CG2-CD1 3.96Å; I570-L574 HydrophobicContact CG2-CD1 3.48Å; I570-L574 VanDerWaalsContact CG2-CD1 3.48Å; I570-L574 HydrophobicContact CG2-CG 3.97Å; I570-L574 WeakPolarHBondContact O-CB 3.44Å; I570-L574 VanDerWaalsContact O-CG 3.29Å; I570-L574 WeakPolarHBondContact O-CG 3.49Å; I570-L574 PolarHBondContact O-N 2.85Å; S571-L574 PolarHBondContact O-N 2.78Å; L574-S576 VanDerWaalsContact C-N 3.32Å; L574-S576 PolarHBondContact O-N 3.38Å; L574-M577 CarbonylContact O-C 3.54Å; L574-M577 PolarHBondContact O-N 3.33Å; L574-M577 VanDerWaalsContact O-N 3.12Å; L574-N578 PolarHBondContact O-N 3.38Å; L574-F579 HydrophobicContact CB-CB 4.45Å; L574-F579 HydrophobicContact CB-CD2 4.38Å; L574-F579 HydrophobicContact CD2-CD2 3.71Å; L574-F579 HydrophobicContact CD2-CE2 4Å; L574-F579 PolarHBondContact O-N 3.18Å; L574-V582 HydrophobicContact CD1-CB 4.46Å; L574-V582 HydrophobicContact CD1-CG1 3.81Å; L574-V582 HydrophobicContact CD1-CG2 4.05Å
575	K	87.4	Confident	87.9	Confident	141 Å²	141	42.8 Å²	42.8	61%	0.613	24%	0.242	S	C	*	.	H	α-helix	trans	-59.4	-41.3	168.2	-77.2	165.2	-179.2	161.8	0	111.6	S571 F573 M577 N578	S571-K575 WeakPolarHBondContact O-CB 3.36Å; S571-K575 WeakPolarHBondContact O-CD 3.45Å; S571-K575 WeakPolarHBondContact O-CG 3.36Å; S571-K575 PolarHBondContact O-N 2.74Å; S571-K575 WeakPolarHBondContact OG-CE 3.48Å; S571-K575 PolarHBondContact OG-NZ 3.22Å; S571-K575 VanDerWaalsContact OG-NZ 3.17Å; F573-K575 VanDerWaalsContact C-N 3.33Å; F573-K575 PolarHBondContact O-N 3.4Å; K575-M577 PolarHBondContact O-N 3.05Å; K575-N578 PolarHBondContact O-N 3.42Å
576	S	83.7	Confident	87.8	Confident	45 Å²	45	39.2 Å²	39.2	32%	0.315	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-18.1	175.8	82.3	0	0	0	0	114.2	S572 F573 L574	S572-S576 PolarHBondContact O-N 3.31Å; F573-S576 WeakPolarHBondContact O-CB 3.37Å; F573-S576 PolarHBondContact O-N 3.26Å; F573-S576 VanDerWaalsContact O-N 3.1Å; F573-S576 PolarHBondContact O-OG 3.15Å; L574-S576 VanDerWaalsContact C-N 3.32Å; L574-S576 PolarHBondContact O-N 3.38Å
577	M	82.2	Confident	87.7	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.044	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2.8	175.2	-64.3	-171.7	163.2	0	0	113.1	F69 A535 R536 R539 F573 L574 K575 F579	F69-M577 HydrophobicContact CZ-CB 4.43Å; A535-M577 HydrophobicContact CB-SD 4Å; R536-M577 HydrophobicContact CB-CE 3.57Å; R536-M577 HydrophobicContact CB-SD 4.33Å; R536-M577 HydrophobicContact CG-CE 3.85Å; R539-M577 WeakPolarHBondContact CD-O 3.43Å; R539-M577 WeakPolarHBondContact CG-O 3.3Å; R539-M577 PolarHBondContact NE-O 2.94Å; R539-M577 VanDerWaalsContact NE-O 3.16Å; F573-M577 HydrophobicContact CE1-CE 4.22Å; F573-M577 HydrophobicContact CE1-SD 4.05Å; F573-M577 HydrophobicContact CE2-CE 3.46Å; F573-M577 VanDerWaalsContact CE2-CE 3.46Å; F573-M577 HydrophobicContact CE2-SD 4.16Å; F573-M577 HydrophobicContact CZ-CE 3.23Å; F573-M577 HydrophobicContact CZ-SD 3.62Å; F573-M577 PolarHBondContact O-N 3.25Å; L574-M577 CarbonylContact O-C 3.54Å; L574-M577 PolarHBondContact O-N 3.33Å; L574-M577 VanDerWaalsContact O-N 3.12Å; K575-M577 PolarHBondContact O-N 3.05Å; M577-F579 VanDerWaalsContact C-N 3.32Å; M577-F579 HydrophobicContact CB-CD2 3.82Å; M577-F579 HydrophobicContact CB-CE2 4.02Å; M577-F579 PolarHBondContact O-N 3.29Å; M577-F579 HydrophobicContact SD-CE2 4.34Å
578	N	82.6	Confident	87.7	Confident	41 Å²	41	35.9 Å²	35.9	22%	0.219	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	44.8	-178.7	-54.5	-83.8	0	0	0	112.9	F64 T65 A66 F69 R539 L574 K575	F64-N578 PolarHBondContact O-ND2 3.27Å; T65-N578 VanDerWaalsContact C-ND2 3.25Å; T65-N578 PolarHBondContact O-ND2 3.07Å; A66-N578 HydrophobicContact CB-CB 4.34Å; A66-N578 VanDerWaalsContact N-CG 3.34Å; A66-N578 PolarHBondContact N-OD1 3.27Å; F69-N578 HydrophobicContact CD2-CB 4.38Å; F69-N578 VanDerWaalsContact CD2-ND2 3.34Å; F69-N578 WeakPolarHBondContact CD2-ND2 3.17Å; F69-N578 WeakPolarHBondContact CE2-ND2 3.23Å; R539-N578 PolarHBondContact NE-O 3.09Å; R539-N578 PolarHBondContact NH2-O 3.23Å; L574-N578 PolarHBondContact O-N 3.38Å; K575-N578 PolarHBondContact O-N 3.42Å
579	F	79.6	Confident	87.5	Confident	21 Å²	21	31.3 Å²	31.3	9%	0.092	18%	0.181	C	C	.	.			trans	-85	122.3	161.7	-76	-74.8	0	0	0	109.8	A535 A538 R539 L546 L574 M577 V582	A535-F579 WeakPolarHBondContact O-CE2 3.37Å; A535-F579 WeakPolarHBondContact O-CZ 3.07Å; A538-F579 HydrophobicContact CB-CZ 4.29Å; R539-F579 HydrophobicContact CB-CE1 4.23Å; R539-F579 HydrophobicContact CB-CE2 3.82Å; R539-F579 HydrophobicContact CB-CZ 3.55Å; R539-F579 HydrophobicContact CG-CE2 4.37Å; R539-F579 HydrophobicContact CG-CZ 4.27Å; L546-F579 HydrophobicContact CB-CD1 4.07Å; L546-F579 HydrophobicContact CB-CE1 4.11Å; L546-F579 HydrophobicContact CD2-CD1 4.41Å; L546-F579 HydrophobicContact CD2-CD2 4.21Å; L546-F579 HydrophobicContact CD2-CE1 4.29Å; L546-F579 HydrophobicContact CD2-CE2 4.08Å; L546-F579 HydrophobicContact CD2-CG 4.36Å; L546-F579 HydrophobicContact CD2-CZ 4.11Å; L574-F579 HydrophobicContact CB-CB 4.45Å; L574-F579 HydrophobicContact CB-CD2 4.38Å; L574-F579 HydrophobicContact CD2-CD2 3.71Å; L574-F579 HydrophobicContact CD2-CE2 4Å; L574-F579 PolarHBondContact O-N 3.18Å; M577-F579 VanDerWaalsContact C-N 3.32Å; M577-F579 HydrophobicContact CB-CD2 3.82Å; M577-F579 HydrophobicContact CB-CE2 4.02Å; M577-F579 PolarHBondContact O-N 3.29Å; M577-F579 HydrophobicContact SD-CE2 4.34Å; F579-V582 HydrophobicContact CB-CG2 3.73Å
580	S	72.7	Confident	87.3	Confident	87 Å²	87	32.9 Å²	32.9	61%	0.608	19%	0.192	S	C	*	.			trans	-95.9	149	171.8	52.5	0	0	0	0	111.1	V582	S580-V582 PolarHBondContact O-N 3.37Å
581	G	76	Confident	87	Confident	34 Å²	34	35.8 Å²	35.8	35%	0.351	21%	0.209	S	C	.	.	S	Bend	trans	65.6	29.7	171	0	0	0	0	0	116.4	M583	G581-M583 PolarHBondContact O-N 3.24Å
582	V	84.6	Confident	86.8	Confident	28 Å²	28	35.3 Å²	35.3	17%	0.17	21%	0.208	C	C	.	.			trans	-64.8	131	177.8	-177.6	0	0	0	0	110.8	V548 L574 F579 S580 Y584	V548-V582 HydrophobicContact CB-CG1 4.45Å; V548-V582 HydrophobicContact CG2-CG1 3.61Å; L574-V582 HydrophobicContact CD1-CB 4.46Å; L574-V582 HydrophobicContact CD1-CG1 3.81Å; L574-V582 HydrophobicContact CD1-CG2 4.05Å; F579-V582 HydrophobicContact CB-CG2 3.73Å; S580-V582 PolarHBondContact O-N 3.37Å; V582-Y584 HydrophobicContact CB-CE2 4.32Å; V582-Y584 HydrophobicContact CG1-CD2 4.49Å; V582-Y584 HydrophobicContact CG1-CE2 3.92Å
583	M	85.9	Confident	86.7	Confident	22 Å²	22	32.3 Å²	32.3	11%	0.108	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.8	176.5	-60.3	-172.9	-65.6	0	0	110.9	I547 V548 G581 L626 N636	I547-M583 HydrophobicContact CD1-CE 4.06Å; I547-M583 HydrophobicContact CG1-CE 3.95Å; V548-M583 PolarHBondContact N-O 2.97Å; G581-M583 PolarHBondContact O-N 3.24Å; M583-L626 HydrophobicContact CB-CD2 4.24Å; M583-L626 HydrophobicContact CE-CB 4.24Å; M583-L626 HydrophobicContact CE-CD2 3.69Å; M583-L626 HydrophobicContact CG-CD2 4.47Å; M583-L626 HydrophobicContact SD-CD2 3.47Å; M583-L626 WeakPolarHBondContact SD-CD2 3.38Å; M583-N636 VanDerWaalsContact CE-O 3.24Å; M583-N636 WeakPolarHBondContact CE-O 3.4Å; M583-N636 HydrophobicContact CG-CB 3.76Å; M583-N636 VanDerWaalsContact SD-C 3.56Å; M583-N636 HydrophobicContact SD-CB 3.48Å; M583-N636 WeakPolarHBondContact SD-CB 3.24Å; M583-N636 VanDerWaalsContact SD-O 3.35Å
584	Y	91.8	Very high	86.6	Confident	29 Å²	29	31.9 Å²	31.9	11%	0.114	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.4	-178.6	-63	-98.7	0	0	0	110.7	V548 Q567 I570 S571 V582 Y618	V548-Y584 HydrophobicContact CB-CD1 3.81Å; V548-Y584 HydrophobicContact CB-CE1 4.08Å; V548-Y584 HydrophobicContact CB-CG 4.42Å; V548-Y584 HydrophobicContact CG1-CD1 3.74Å; V548-Y584 HydrophobicContact CG1-CE1 4Å; V548-Y584 HydrophobicContact CG2-CD1 4.42Å; V548-Y584 HydrophobicContact CG2-CE1 4.2Å; V548-Y584 CarbonylContact O-C 3.56Å; V548-Y584 WeakPolarHBondContact O-CA 3.37Å; Q567-Y584 HydrophobicContact CB-CD1 4.3Å; Q567-Y584 HydrophobicContact CB-CE1 4.39Å; Q567-Y584 HydrophobicContact CG-CD1 3.89Å; Q567-Y584 HydrophobicContact CG-CD2 3.97Å; Q567-Y584 HydrophobicContact CG-CE1 3.92Å; Q567-Y584 HydrophobicContact CG-CE2 4.03Å; Q567-Y584 HydrophobicContact CG-CG 3.91Å; I570-Y584 HydrophobicContact CB-CE1 4.23Å; I570-Y584 HydrophobicContact CG2-CE1 3.8Å; S571-Y584 VanDerWaalsContact CA-OH 3.23Å; S571-Y584 WeakPolarHBondContact CA-OH 3.43Å; S571-Y584 WeakPolarHBondContact CB-OH 3.1Å; S571-Y584 PolarHBondContact N-OH 2.73Å; V582-Y584 HydrophobicContact CB-CE2 4.32Å; V582-Y584 HydrophobicContact CG1-CD2 4.49Å; V582-Y584 HydrophobicContact CG1-CE2 3.92Å; Y584-Y618 PolarHBondContact O-OH 2.84Å
585	C	91.9	Very high	86.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	115.1	-177.2	-166.4	0	0	0	0	110.1	V548 A549 V550 V587 N594 L626	V548-C585 PolarHBondContact O-N 3.28Å; A549-C585 CarbonylContact C-O 3.58Å; A549-C585 WeakPolarHBondContact CA-O 3.35Å; V550-C585 PolarHBondContact N-O 3.12Å; C585-V587 HydrophobicContact CB-CG1 4.45Å; C585-N594 PolarHBondContact SG-ND2 3.01Å; C585-N594 VanDerWaalsContact SG-ND2 3.35Å; C585-L626 HydrophobicContact CB-CD1 3.64Å
586	P	94.4	Very high	86.4	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.1	169	30.1	-29.7	0	0	0	108.9	M553 W558 F563 N594 L614 W617 Y618	M553-P586 HydrophobicContact CG-CB 3.95Å; M553-P586 HydrophobicContact SD-CB 4.49Å; W558-P586 HydrophobicContact CZ3-CB 4.4Å; F563-P586 HydrophobicContact CD2-CB 3.87Å; F563-P586 HydrophobicContact CD2-CG 4.48Å; F563-P586 HydrophobicContact CE2-CB 3.74Å; F563-P586 HydrophobicContact CE2-CG 4.06Å; F563-P586 HydrophobicContact CZ-CG 4.37Å; P586-N594 WeakPolarHBondContact O-CB 3.13Å; P586-N594 PolarHBondContact O-ND2 3.3Å; P586-L614 HydrophobicContact CB-CD1 4.11Å; P586-L614 HydrophobicContact CG-CD1 3.75Å; P586-W617 HydrophobicContact CB-CH2 4.29Å; P586-W617 HydrophobicContact CG-CH2 4.08Å; P586-Y618 HydrophobicContact CG-CD1 4.05Å; P586-Y618 HydrophobicContact CG-CD2 3.58Å; P586-Y618 HydrophobicContact CG-CE1 4.18Å; P586-Y618 HydrophobicContact CG-CE2 3.73Å; P586-Y618 HydrophobicContact CG-CG 3.74Å
587	V	93.4	Very high	86	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.155	C	C	.	.			trans	-140.9	161.7	-177.6	-61.4	0	0	0	0	111.1	L421 A549 V550 N551 M553 C585 N594 L595 L623	L421-V587 HydrophobicContact CD1-CB 4.26Å; L421-V587 HydrophobicContact CD1-CG2 3.81Å; L421-V587 HydrophobicContact CD2-CG2 4.31Å; A549-V587 HydrophobicContact CB-CG2 4.01Å; V550-V587 PolarHBondContact O-N 3.31Å; V550-V587 VanDerWaalsContact O-O 3.13Å; N551-V587 WeakPolarHBondContact CA-O 3.48Å; N551-V587 HydrophobicContact CB-CG2 4.04Å; M553-V587 PolarHBondContact N-O 3.45Å; C585-V587 HydrophobicContact CB-CG1 4.45Å; V587-N594 HydrophobicContact CG1-CB 4.46Å; V587-L595 HydrophobicContact CB-CD2 3.94Å; V587-L595 HydrophobicContact CG1-CD2 4.04Å; V587-L623 HydrophobicContact CG1-CB 4.38Å
588	S	93.7	Very high	85	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-131.4	112	161.8	175.9	0	0	0	0	109.4	D554 L590 V591 G592 A593	D554-S588 VanDerWaalsContact CG-OG 3.29Å; D554-S588 WeakPolarHBondContact OD1-CB 2.96Å; D554-S588 PolarHBondContact OD1-OG 3.03Å; S588-L590 VanDerWaalsContact C-N 3.29Å; S588-L590 PolarHBondContact O-N 2.69Å; S588-V591 WeakPolarHBondContact OG-CG2 3.44Å; S588-V591 PolarHBondContact OG-N 2.7Å; S588-G592 WeakPolarHBondContact O-CA 3.48Å; S588-G592 PolarHBondContact O-N 3.23Å; S588-A593 PolarHBondContact N-O 3.22Å; S588-A593 PolarHBondContact O-N 2.88Å
589	G	90.3	Very high	83.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.7	-179.8	0	0	0	0	0	114.2	N424 N551	N424-G589 WeakPolarHBondContact CB-O 3.24Å; N424-G589 PolarHBondContact ND2-O 3.39Å; N551-G589 PolarHBondContact OD1-N 3.16Å
590	L	88.3	Confident	82.5	Confident	101 Å²	101	39.2 Å²	39.2	53%	0.529	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-46.9	176	-173.5	64.7	0	0	0	111.5	N424 Y454 S588	N424-L590 PolarHBondContact ND2-O 3.33Å; Y454-L590 HydrophobicContact CD2-CD1 4.41Å; Y454-L590 HydrophobicContact CE2-CD1 4.24Å; S588-L590 VanDerWaalsContact C-N 3.29Å; S588-L590 PolarHBondContact O-N 2.69Å
591	V	87.9	Confident	81.6	Confident	62 Å²	62	37.5 Å²	37.5	38%	0.376	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-25.2	-179.8	-177.9	0	0	0	0	112	D554 S588 A593 A607	D554-V591 HydrophobicContact CB-CG2 4.23Å; S588-V591 WeakPolarHBondContact OG-CG2 3.44Å; S588-V591 PolarHBondContact OG-N 2.7Å; V591-A593 HydrophobicContact CG1-CB 4.4Å; V591-A607 HydrophobicContact CG1-CB 4.47Å
592	G	86.6	Confident	79.9	Confident	18 Å²	18	41.4 Å²	41.4	19%	0.186	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	12.9	-175.3	0	0	0	0	0	114.1	N424 S588	N424-G592 WeakPolarHBondContact ND2-CA 3.39Å; N424-G592 PolarHBondContact ND2-N 2.72Å; S588-G592 WeakPolarHBondContact O-CA 3.48Å; S588-G592 PolarHBondContact O-N 3.23Å
593	A	88.3	Confident	78	Confident	14 Å²	14	45.5 Å²	45.5	12%	0.116	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-74.4	136	-176.4	0	0	0	0	0	112.3	W558 S588 V591 L595	W558-A593 HydrophobicContact CH2-CB 3.48Å; W558-A593 VanDerWaalsContact CH2-CB 3.48Å; W558-A593 HydrophobicContact CZ2-CB 3.55Å; S588-A593 PolarHBondContact N-O 3.22Å; S588-A593 PolarHBondContact O-N 2.88Å; V591-A593 HydrophobicContact CG1-CB 4.4Å; A593-L595 PolarHBondContact O-N 2.83Å
594	N	88.4	Confident	75.9	Confident	14 Å²	14	47.4 Å²	47.4	8%	0.075	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	17.5	-179.6	-156.8	27.9	0	0	0	116.5	C585 P586 V587 L614 Y618 S622 L623	C585-N594 PolarHBondContact SG-ND2 3.01Å; C585-N594 VanDerWaalsContact SG-ND2 3.35Å; P586-N594 WeakPolarHBondContact O-CB 3.13Å; P586-N594 PolarHBondContact O-ND2 3.3Å; V587-N594 HydrophobicContact CG1-CB 4.46Å; N594-L614 HydrophobicContact CB-CD2 3.92Å; N594-Y618 VanDerWaalsContact ND2-CE1 3.33Å; N594-Y618 WeakPolarHBondContact ND2-CE1 3.34Å; N594-S622 WeakPolarHBondContact O-CB 3.04Å; N594-S622 WeakPolarHBondContact OD1-CA 3.27Å; N594-L623 PolarHBondContact O-N 2.95Å
595	L	87.6	Confident	73.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-77	-55.4	175.7	-54.2	-169.7	0	0	0	110.7	L421 N424 L425 L428 V587 A593 S622 L623 L624	L421-L595 HydrophobicContact CD1-CD1 4.35Å; L421-L595 HydrophobicContact CD1-CD2 3.39Å; L421-L595 HydrophobicContact CG-CD2 4.5Å; N424-L595 HydrophobicContact CB-CD1 4.24Å; L425-L595 HydrophobicContact CD1-CB 4.19Å; L428-L595 HydrophobicContact CD1-CB 3.92Å; L428-L595 HydrophobicContact CD1-CD1 3.87Å; L428-L595 HydrophobicContact CD1-CG 4.34Å; V587-L595 HydrophobicContact CB-CD2 3.94Å; V587-L595 HydrophobicContact CG1-CD2 4.04Å; A593-L595 PolarHBondContact O-N 2.83Å; L595-S622 PolarHBondContact O-OG 2.95Å; L595-L623 HydrophobicContact CD2-CD2 4.22Å; L595-L623 PolarHBondContact O-N 3.31Å; L595-L624 VanDerWaalsContact O-CB 3.25Å; L595-L624 WeakPolarHBondContact O-CB 3.4Å; L595-L624 PolarHBondContact O-N 2.82Å
596	V	84.8	Confident	70.8	Confident	14 Å²	14	62.1 Å²	62.1	9%	0.085	36%	0.356	C	S	.	.	S	Bend	trans	-113.9	149.7	-175.4	179.5	0	0	0	0	109.1	L425 L428 L600 L624	L425-V596 HydrophobicContact CD1-CG2 4.03Å; L428-V596 HydrophobicContact CB-CG2 3.73Å; L428-V596 HydrophobicContact CD1-CG2 4.07Å; V596-L600 HydrophobicContact CG1-CB 3.48Å; V596-L600 VanDerWaalsContact CG1-CB 3.48Å; V596-L600 HydrophobicContact CG1-CD1 4.13Å; V596-L600 HydrophobicContact CG1-CG 4.39Å; V596-L624 HydrophobicContact CG1-CD2 4.14Å; V596-L624 HydrophobicContact CG2-CD2 4.27Å
597	P	74.7	Confident	68.4	Low	28 Å²	28	62.8 Å²	62.8	18%	0.182	36%	0.361	C	S	.	.			trans	-55.3	143.2	175.9	-26.4	34.6	0	0	0	112.4	N599 L600 S601 S622 E625	P597-N599 PolarHBondContact O-N 3.48Å; P597-L600 HydrophobicContact CG-CD1 4.37Å; P597-L600 WeakPolarHBondContact O-CB 3.38Å; P597-L600 PolarHBondContact O-N 2.88Å; P597-S601 PolarHBondContact O-N 2.84Å; P597-S622 WeakPolarHBondContact CD-OG 3.46Å; P597-E625 HydrophobicContact CG-CG 3.61Å
598	Q	62.7	Low	66	Low	114 Å²	114	66.2 Å²	66.2	53%	0.533	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-50.8	-36.7	-178.3	-66.8	178.3	-6.3	0	0	113.3	L600 S601 F615	Q598-L600 PolarHBondContact O-N 2.78Å; Q598-L600 VanDerWaalsContact O-N 3.07Å; Q598-S601 WeakPolarHBondContact CA-OG 3.3Å; Q598-S601 PolarHBondContact O-N 2.83Å; Q598-S601 VanDerWaalsContact O-N 3.1Å; Q598-S601 PolarHBondContact O-OG 3.01Å; Q598-F615 HydrophobicContact CG-CE2 4.34Å; Q598-F615 HydrophobicContact CG-CZ 4.01Å; Q598-F615 VanDerWaalsContact NE2-CD2 3.28Å; Q598-F615 VanDerWaalsContact NE2-CE1 3.31Å
599	N	52.2	Low	63.8	Low	160 Å²	160	72.3 Å²	72.3	86%	0.856	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-61.8	-17.6	179.3	-57.9	10.4	0	0	0	114	P597	P597-N599 PolarHBondContact O-N 3.48Å
600	L	56.3	Low	61.9	Low	99 Å²	99	75.1 Å²	75.1	52%	0.518	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-105.9	-13.4	178.9	-83.2	147	0	0	0	112.5	V596 P597 Q598 S602	V596-L600 HydrophobicContact CG1-CB 3.48Å; V596-L600 VanDerWaalsContact CG1-CB 3.48Å; V596-L600 HydrophobicContact CG1-CD1 4.13Å; V596-L600 HydrophobicContact CG1-CG 4.39Å; P597-L600 HydrophobicContact CG-CD1 4.37Å; P597-L600 WeakPolarHBondContact O-CB 3.38Å; P597-L600 PolarHBondContact O-N 2.88Å; Q598-L600 PolarHBondContact O-N 2.78Å; Q598-L600 VanDerWaalsContact O-N 3.07Å; L600-S602 PolarHBondContact O-N 3.04Å
601	S	53.7	Low	60.4	Low	50 Å²	50	71.9 Å²	71.9	35%	0.35	42%	0.421	S	S	.	.			trans	-82.8	48.7	-179.9	62	0	0	0	0	113	P597 Q598 S603 S604	P597-S601 PolarHBondContact O-N 2.84Å; Q598-S601 WeakPolarHBondContact CA-OG 3.3Å; Q598-S601 PolarHBondContact O-N 2.83Å; Q598-S601 VanDerWaalsContact O-N 3.1Å; Q598-S601 PolarHBondContact O-OG 3.01Å; S601-S603 PolarHBondContact O-N 2.83Å; S601-S604 PolarHBondContact O-N 2.97Å
602	S	41.5	Very low	58.9	Low	116 Å²	116	71.4 Å²	71.4	81%	0.811	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.7	-177.4	55.1	0	0	0	0	114.8	L600	L600-S602 PolarHBondContact O-N 3.04Å
603	S	43.8	Very low	58	Low	114 Å²	114	74.8 Å²	74.8	80%	0.797	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.7	176.6	-156	0	0	0	0	113.9	S601 K605	S601-S603 PolarHBondContact O-N 2.83Å; S603-K605 PolarHBondContact O-N 3.32Å; S603-K605 VanDerWaalsContact O-N 3.16Å
604	S	41.7	Very low	57.2	Low	62 Å²	62	74.1 Å²	74.1	43%	0.434	43%	0.429	S	S	.	.			trans	-93	70.2	-169.8	-158	0	0	0	0	113.9	S601 N606 A607	S601-S604 PolarHBondContact O-N 2.97Å; S604-N606 VanDerWaalsContact C-N 3.27Å; S604-A607 WeakPolarHBondContact OG-CB 3.42Å
605	K	38.5	Very low	56.4	Low	186 Å²	186	77.4 Å²	77.4	81%	0.809	44%	0.442	S	S	*	.	S	Bend	trans	-79.2	-6.7	169	-71.8	-171.4	177	-177.7	0	114.1	S603	S603-K605 PolarHBondContact O-N 3.32Å; S603-K605 VanDerWaalsContact O-N 3.16Å
606	N	38.4	Very low	56	Low	153 Å²	153	82.8 Å²	82.8	82%	0.818	48%	0.476	S	S	*	.	S	Bend	trans	-114.6	-8.7	-174.9	-65.7	4.3	0	0	0	114.4	S604	S604-N606 VanDerWaalsContact C-N 3.27Å
607	A	43.4	Very low	56.1	Low	14 Å²	14	84.3 Å²	84.3	12%	0.116	48%	0.48	C	S	.	.			trans	-99.9	12	177.8	0	0	0	0	0	114	V591 S604 D609 S611	V591-A607 HydrophobicContact CG1-CB 4.47Å; S604-A607 WeakPolarHBondContact OG-CB 3.42Å; A607-D609 PolarHBondContact O-N 3.46Å; A607-S611 VanDerWaalsContact O-CB 3.26Å; A607-S611 WeakPolarHBondContact O-CB 3.33Å; A607-S611 PolarHBondContact O-N 3.45Å; A607-S611 PolarHBondContact O-OG 3.14Å
608	S	44.2	Very low	56.6	Low	71 Å²	71	84.3 Å²	84.3	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-52.6	-40.2	175.3	46.5	0	0	0	0	112
609	D	46.5	Very low	57.5	Low	128 Å²	128	85.9 Å²	85.9	68%	0.684	49%	0.494	S	S	*	.	H	α-helix	trans	-87.2	-29.9	-168	-57.4	8.6	0	0	0	111.5	A607 S612	A607-D609 PolarHBondContact O-N 3.46Å; D609-S612 PolarHBondContact O-OG 3.02Å
610	T	49.9	Very low	58.9	Low	60 Å²	60	79.7 Å²	79.7	37%	0.368	47%	0.468	S	S	.	.	H	α-helix	trans	-90.4	-32.6	-179.2	-49	0	0	0	0	113.1
611	S	57.5	Low	60.3	Low	32 Å²	32	76.1 Å²	76.1	22%	0.224	45%	0.451	C	S	.	.	H	α-helix	trans	-80.8	-20.9	-177.5	67	0	0	0	0	113.9	A607 N613 L614 F615	A607-S611 VanDerWaalsContact O-CB 3.26Å; A607-S611 WeakPolarHBondContact O-CB 3.33Å; A607-S611 PolarHBondContact O-N 3.45Å; A607-S611 PolarHBondContact O-OG 3.14Å; S611-N613 VanDerWaalsContact C-N 3.33Å; S611-N613 PolarHBondContact O-N 3.33Å; S611-L614 PolarHBondContact O-N 3.18Å; S611-F615 WeakPolarHBondContact O-CD2 3.46Å; S611-F615 PolarHBondContact O-N 3.19Å
612	S	56.8	Low	61.9	Low	53 Å²	53	74 Å²	74	37%	0.371	44%	0.436	S	S	.	.	H	α-helix	trans	-49.8	-50.6	174.5	56.6	0	0	0	0	112.2	D609 L614 F615 T616	D609-S612 PolarHBondContact O-OG 3.02Å; S612-L614 VanDerWaalsContact C-N 3.32Å; S612-L614 PolarHBondContact O-N 3.43Å; S612-F615 PolarHBondContact O-N 3Å; S612-T616 PolarHBondContact O-N 3.49Å; S612-T616 PolarHBondContact O-OG1 3.22Å; S612-T616 VanDerWaalsContact O-OG1 3.1Å
613	N	67	Low	64.2	Low	89 Å²	89	68.5 Å²	68.5	48%	0.476	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-33.2	-177.5	-73.5	-9	0	0	0	114	W558 S611 W617	W558-N613 HydrophobicContact CB-CB 4.35Å; S611-N613 VanDerWaalsContact C-N 3.33Å; S611-N613 PolarHBondContact O-N 3.33Å; N613-W617 VanDerWaalsContact O-CD1 3.24Å
614	L	72.7	Confident	66.3	Low	0 Å²	0	64 Å²	64	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-67.7	-48.2	177.4	176.4	64.9	0	0	0	111.1	W558 P586 N594 S611 S612 T616 W617 Y618	W558-L614 HydrophobicContact CD2-CB 4.1Å; W558-L614 HydrophobicContact CD2-CD1 4.43Å; W558-L614 HydrophobicContact CE3-CB 3.87Å; W558-L614 HydrophobicContact CE3-CD1 3.43Å; W558-L614 VanDerWaalsContact CE3-CD1 3.43Å; W558-L614 HydrophobicContact CE3-CD2 3.99Å; W558-L614 HydrophobicContact CE3-CG 3.94Å; W558-L614 HydrophobicContact CG-CB 4.44Å; W558-L614 HydrophobicContact CH2-CD2 4.23Å; W558-L614 HydrophobicContact CZ3-CB 4.39Å; W558-L614 HydrophobicContact CZ3-CD1 3.75Å; W558-L614 HydrophobicContact CZ3-CD2 3.66Å; W558-L614 HydrophobicContact CZ3-CG 4.12Å; P586-L614 HydrophobicContact CB-CD1 4.11Å; P586-L614 HydrophobicContact CG-CD1 3.75Å; N594-L614 HydrophobicContact CB-CD2 3.92Å; S611-L614 PolarHBondContact O-N 3.18Å; S612-L614 VanDerWaalsContact C-N 3.32Å; S612-L614 PolarHBondContact O-N 3.43Å; L614-T616 PolarHBondContact O-N 3.45Å; L614-W617 HydrophobicContact CD1-CH2 4.43Å; L614-W617 HydrophobicContact CD1-CZ2 3.95Å; L614-W617 PolarHBondContact O-N 2.89Å; L614-Y618 HydrophobicContact CD1-CG 4.34Å; L614-Y618 WeakPolarHBondContact O-CB 3.48Å; L614-Y618 PolarHBondContact O-N 2.89Å
615	F	71.2	Confident	68.4	Low	82 Å²	82	63.5 Å²	63.5	36%	0.36	36%	0.355	S	S	.	.	H	α-helix	trans	-73.9	-11.4	-174.7	-61.9	-58.8	0	0	0	113.3	Q598 S611 S612 W617	Q598-F615 HydrophobicContact CG-CE2 4.34Å; Q598-F615 HydrophobicContact CG-CZ 4.01Å; Q598-F615 VanDerWaalsContact NE2-CD2 3.28Å; Q598-F615 VanDerWaalsContact NE2-CE1 3.31Å; S611-F615 WeakPolarHBondContact O-CD2 3.46Å; S611-F615 PolarHBondContact O-N 3.19Å; S612-F615 PolarHBondContact O-N 3Å; F615-W617 VanDerWaalsContact C-N 3.28Å; F615-W617 PolarHBondContact O-N 3.07Å
616	T	77.7	Confident	70.6	Confident	114 Å²	114	55.1 Å²	55.1	70%	0.699	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-34.4	168.6	-53.6	0	0	0	0	112.9	S612 L614	S612-T616 PolarHBondContact O-N 3.49Å; S612-T616 PolarHBondContact O-OG1 3.22Å; S612-T616 VanDerWaalsContact O-OG1 3.1Å; L614-T616 PolarHBondContact O-N 3.45Å
617	W	87.1	Confident	72.8	Confident	46 Å²	46	48 Å²	48	17%	0.174	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128	-20.8	-173.3	66	-97.4	0	0	0	115	M553 W558 Q560 F563 P586 N613 L614 F615	M553-W617 HydrophobicContact CE-CZ2 4.42Å; W558-W617 PolarHBondContact O-NE1 3.22Å; Q560-W617 HydrophobicContact CB-CD2 3.78Å; Q560-W617 HydrophobicContact CB-CE3 4.21Å; Q560-W617 HydrophobicContact CB-CG 3.98Å; Q560-W617 HydrophobicContact CB-CZ2 4.37Å; Q560-W617 HydrophobicContact CG-CB 4.45Å; Q560-W617 HydrophobicContact CG-CD2 3.72Å; Q560-W617 HydrophobicContact CG-CE3 3.66Å; Q560-W617 HydrophobicContact CG-CG 4.08Å; Q560-W617 HydrophobicContact CG-CZ3 4.16Å; F563-W617 HydrophobicContact CB-CH2 3.78Å; F563-W617 HydrophobicContact CB-CZ2 4.44Å; F563-W617 HydrophobicContact CB-CZ3 4.48Å; F563-W617 AromaticContact CD1-CH2 3.71Å; F563-W617 HydrophobicContact CD1-CH2 3.71Å; F563-W617 AromaticContact CD1-CZ3 3.71Å; F563-W617 HydrophobicContact CD1-CZ3 3.71Å; F563-W617 HydrophobicContact CD2-CH2 4.22Å; F563-W617 HydrophobicContact CE1-CH2 4.34Å; F563-W617 HydrophobicContact CE1-CZ3 4.15Å; F563-W617 AromaticContact CG-CH2 3.63Å; F563-W617 HydrophobicContact CG-CH2 3.63Å; F563-W617 HydrophobicContact CG-CZ3 4.14Å; P586-W617 HydrophobicContact CB-CH2 4.29Å; P586-W617 HydrophobicContact CG-CH2 4.08Å; N613-W617 VanDerWaalsContact O-CD1 3.24Å; L614-W617 HydrophobicContact CD1-CH2 4.43Å; L614-W617 HydrophobicContact CD1-CZ2 3.95Å; L614-W617 PolarHBondContact O-N 2.89Å; F615-W617 VanDerWaalsContact C-N 3.28Å; F615-W617 PolarHBondContact O-N 3.07Å
618	Y	86	Confident	74.1	Confident	27 Å²	27	47.5 Å²	47.5	11%	0.106	28%	0.277	C	S	.	.			trans	-100.3	101	-179.5	-171.9	-100.8	0	0	0	112.4	Y584 P586 N594 L614 G620 P621	Y584-Y618 PolarHBondContact O-OH 2.84Å; P586-Y618 HydrophobicContact CG-CD1 4.05Å; P586-Y618 HydrophobicContact CG-CD2 3.58Å; P586-Y618 HydrophobicContact CG-CE1 4.18Å; P586-Y618 HydrophobicContact CG-CE2 3.73Å; P586-Y618 HydrophobicContact CG-CG 3.74Å; N594-Y618 VanDerWaalsContact ND2-CE1 3.33Å; N594-Y618 WeakPolarHBondContact ND2-CE1 3.34Å; L614-Y618 HydrophobicContact CD1-CG 4.34Å; L614-Y618 WeakPolarHBondContact O-CB 3.48Å; L614-Y618 PolarHBondContact O-N 2.89Å; Y618-G620 VanDerWaalsContact C-N 3.31Å; Y618-G620 VanDerWaalsContact CE1-C 3.45Å; Y618-G620 WeakPolarHBondContact CE1-O 3.01Å; Y618-G620 VanDerWaalsContact CZ-CA 3.47Å; Y618-P621 PolarHBondContact OH-O 3.38Å
619	T	81.2	Confident	75.1	Confident	148 Å²	148	46.9 Å²	46.9	91%	0.908	27%	0.265	S	S	*	.			trans	-92.3	19	174.2	-26	0	0	0	0	113.1
620	G	81.9	Confident	75.3	Confident	29 Å²	29	46.1 Å²	46.1	30%	0.299	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-86.1	163.2	-177.4	0	0	0	0	0	114	Y618	Y618-G620 VanDerWaalsContact C-N 3.31Å; Y618-G620 VanDerWaalsContact CE1-C 3.45Å; Y618-G620 WeakPolarHBondContact CE1-O 3.01Å; Y618-G620 VanDerWaalsContact CZ-CA 3.47Å
621	P	85.4	Confident	75.2	Confident	25 Å²	25	48.3 Å²	48.3	16%	0.162	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69	155.6	175.1	31.1	-37.6	0	0	0	112.4	Y618 E625 L626 F634	Y618-P621 PolarHBondContact OH-O 3.38Å; P621-E625 HydrophobicContact CB-CB 3.96Å; P621-E625 WeakPolarHBondContact CB-OE2 3.34Å; P621-L626 HydrophobicContact CB-CD2 4.46Å; P621-L626 HydrophobicContact CB-CG 4.4Å; P621-L626 HydrophobicContact CG-CD2 3.47Å; P621-L626 VanDerWaalsContact CG-CD2 3.47Å; P621-L626 HydrophobicContact CG-CG 3.82Å; P621-F634 HydrophobicContact CB-CZ 4.43Å; P621-F634 HydrophobicContact CG-CE1 4.4Å; P621-F634 HydrophobicContact CG-CZ 4.47Å
622	S	87.3	Confident	74.1	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.042	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-71.4	162.3	176	100.6	0	0	0	0	112.3	N594 L595 P597 L624 E625 L626	N594-S622 WeakPolarHBondContact O-CB 3.04Å; N594-S622 WeakPolarHBondContact OD1-CA 3.27Å; L595-S622 PolarHBondContact O-OG 2.95Å; P597-S622 WeakPolarHBondContact CD-OG 3.46Å; S622-L624 VanDerWaalsContact C-N 3.31Å; S622-L624 PolarHBondContact O-N 3.28Å; S622-L624 PolarHBondContact OG-N 3.45Å; S622-E625 WeakPolarHBondContact O-CA 3.33Å; S622-E625 WeakPolarHBondContact O-CB 3.48Å; S622-E625 PolarHBondContact O-N 3.44Å; S622-L626 PolarHBondContact O-N 3.04Å
623	L	89.6	Confident	73	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-53.9	-45.3	179.7	-178	60.4	0	0	0	112.8	L421 M422 L511 I547 V587 N594 L595 E625 L626 I627	L421-L623 HydrophobicContact CD2-CD2 4.37Å; M422-L623 HydrophobicContact CE-CD2 4.3Å; L511-L623 HydrophobicContact CD1-CD1 3.76Å; L511-L623 HydrophobicContact CD2-CD1 4.35Å; L511-L623 HydrophobicContact CD2-CD2 4.3Å; I547-L623 HydrophobicContact CG2-CD1 4.3Å; V587-L623 HydrophobicContact CG1-CB 4.38Å; N594-L623 PolarHBondContact O-N 2.95Å; L595-L623 HydrophobicContact CD2-CD2 4.22Å; L595-L623 PolarHBondContact O-N 3.31Å; L623-E625 VanDerWaalsContact C-N 3.3Å; L623-E625 PolarHBondContact O-N 2.7Å; L623-L626 PolarHBondContact O-N 2.68Å; L623-I627 HydrophobicContact CD1-CD1 4.25Å; L623-I627 HydrophobicContact CG-CD1 4.18Å; L623-I627 WeakPolarHBondContact O-CG1 3.33Å; L623-I627 PolarHBondContact O-N 3.23Å
624	L	88.5	Confident	72.2	Confident	20 Å²	20	61.7 Å²	61.7	11%	0.105	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-35.6	175.8	-174.7	69.1	0	0	0	112.7	L429 F478 T480 L595 V596 S622 G628	L429-L624 HydrophobicContact CD1-CD1 4.22Å; L429-L624 HydrophobicContact CD2-CD1 4Å; L429-L624 HydrophobicContact CD2-CD2 3.71Å; F478-L624 HydrophobicContact CD2-CD1 4.37Å; F478-L624 HydrophobicContact CE2-CD1 3.85Å; T480-L624 HydrophobicContact CG2-CD1 3.94Å; L595-L624 VanDerWaalsContact O-CB 3.25Å; L595-L624 WeakPolarHBondContact O-CB 3.4Å; L595-L624 PolarHBondContact O-N 2.82Å; V596-L624 HydrophobicContact CG1-CD2 4.14Å; V596-L624 HydrophobicContact CG2-CD2 4.27Å; S622-L624 VanDerWaalsContact C-N 3.31Å; S622-L624 PolarHBondContact O-N 3.28Å; S622-L624 PolarHBondContact OG-N 3.45Å; L624-G628 PolarHBondContact O-N 3.11Å
625	E	85.8	Confident	71	Confident	50 Å²	50	66.1 Å²	66.1	23%	0.234	33%	0.33	C	S	.	.	H	α-helix	trans	-72.6	-40	177.7	-60.4	-155.6	126.9	0	0	112.7	P597 P621 S622 L623 I627 G628 K629	P597-E625 HydrophobicContact CG-CG 3.61Å; P621-E625 HydrophobicContact CB-CB 3.96Å; P621-E625 WeakPolarHBondContact CB-OE2 3.34Å; S622-E625 WeakPolarHBondContact O-CA 3.33Å; S622-E625 WeakPolarHBondContact O-CB 3.48Å; S622-E625 PolarHBondContact O-N 3.44Å; L623-E625 VanDerWaalsContact C-N 3.3Å; L623-E625 PolarHBondContact O-N 2.7Å; E625-I627 VanDerWaalsContact C-N 3.27Å; E625-I627 PolarHBondContact O-N 3.27Å; E625-G628 PolarHBondContact O-N 3.22Å; E625-K629 HydrophobicContact CB-CD 4.1Å; E625-K629 HydrophobicContact CB-CG 4.37Å; E625-K629 WeakPolarHBondContact O-CB 3.35Å; E625-K629 WeakPolarHBondContact O-CG 3.47Å; E625-K629 PolarHBondContact O-N 3.43Å; E625-K629 WeakPolarHBondContact OE1-CE 3.43Å; E625-K629 IonicContact OE1-NZ 3.51Å; E625-K629 PolarHBondContact OE1-NZ 3.13Å; E625-K629 IonicContact OE2-NZ 2.68Å; E625-K629 PolarHBondContact OE2-NZ 3.3Å
626	L	84.8	Confident	69.9	Low	10 Å²	10	66 Å²	66	5%	0.052	33%	0.333	C	S	.	.	H	α-helix	trans	-57.1	-42.9	175.8	-72.9	169	0	0	0	111.4	I547 M583 C585 P621 S622 L623 S637	I547-L626 HydrophobicContact CD1-CB 4.13Å; I547-L626 HydrophobicContact CG2-CD1 4.38Å; M583-L626 HydrophobicContact CB-CD2 4.24Å; M583-L626 HydrophobicContact CE-CB 4.24Å; M583-L626 HydrophobicContact CE-CD2 3.69Å; M583-L626 HydrophobicContact CG-CD2 4.47Å; M583-L626 HydrophobicContact SD-CD2 3.47Å; M583-L626 WeakPolarHBondContact SD-CD2 3.38Å; C585-L626 HydrophobicContact CB-CD1 3.64Å; P621-L626 HydrophobicContact CB-CD2 4.46Å; P621-L626 HydrophobicContact CB-CG 4.4Å; P621-L626 HydrophobicContact CG-CD2 3.47Å; P621-L626 VanDerWaalsContact CG-CD2 3.47Å; P621-L626 HydrophobicContact CG-CG 3.82Å; S622-L626 PolarHBondContact O-N 3.04Å; L623-L626 PolarHBondContact O-N 2.68Å; L626-S637 PolarHBondContact O-OG 3.16Å
627	I	85	Confident	68.9	Low	3 Å²	3	60.6 Å²	60.6	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-71.1	-50	176.1	-62.3	164.5	0	0	0	110.6	L408 F478 K483 V485 I547 L623 E625	L408-I627 HydrophobicContact CD2-CD1 3.73Å; L408-I627 HydrophobicContact CD2-CG1 4.07Å; L408-I627 HydrophobicContact CD2-CG2 4.27Å; F478-I627 HydrophobicContact CZ-CG2 4.44Å; K483-I627 PolarHBondContact NZ-O 2.78Å; V485-I627 HydrophobicContact CG1-CG2 4.3Å; V485-I627 HydrophobicContact CG2-CG2 3.7Å; I547-I627 HydrophobicContact CD1-CG1 4.03Å; L623-I627 HydrophobicContact CD1-CD1 4.25Å; L623-I627 HydrophobicContact CG-CD1 4.18Å; L623-I627 WeakPolarHBondContact O-CG1 3.33Å; L623-I627 PolarHBondContact O-N 3.23Å; E625-I627 VanDerWaalsContact C-N 3.27Å; E625-I627 PolarHBondContact O-N 3.27Å
628	G	70.7	Confident	67.6	Low	4 Å²	4	58.5 Å²	58.5	4%	0.041	29%	0.292	C	S	.	.	H	α-helix	trans	-77.5	-42.3	-167.6	0	0	0	0	0	115.8	S482 K483 L624 E625	S482-G628 PolarHBondContact OG-O 2.95Å; K483-G628 WeakPolarHBondContact CE-O 3.34Å; L624-G628 PolarHBondContact O-N 3.11Å; E625-G628 PolarHBondContact O-N 3.22Å
629	K	63.8	Low	66.4	Low	58 Å²	58	58.5 Å²	58.5	25%	0.252	30%	0.295	S	S	.	.	S	Bend	trans	-62.1	155.4	-168.9	-74	-178.5	175.7	167.7	0	112.4	K483 E625 F634 S637	K483-K629 VanDerWaalsContact CE-O 3.23Å; K483-K629 WeakPolarHBondContact CE-O 3.34Å; K483-K629 PolarHBondContact NZ-O 3Å; E625-K629 HydrophobicContact CB-CD 4.1Å; E625-K629 HydrophobicContact CB-CG 4.37Å; E625-K629 WeakPolarHBondContact O-CB 3.35Å; E625-K629 WeakPolarHBondContact O-CG 3.47Å; E625-K629 PolarHBondContact O-N 3.43Å; E625-K629 WeakPolarHBondContact OE1-CE 3.43Å; E625-K629 IonicContact OE1-NZ 3.51Å; E625-K629 PolarHBondContact OE1-NZ 3.13Å; E625-K629 IonicContact OE2-NZ 2.68Å; E625-K629 PolarHBondContact OE2-NZ 3.3Å; K629-F634 HydrophobicContact CB-CD2 4.48Å; K629-F634 HydrophobicContact CD-CD2 3.77Å; K629-F634 HydrophobicContact CD-CE2 3.58Å; K629-S637 PolarHBondContact O-OG 2.89Å
630	K	50.6	Low	65.7	Low	113 Å²	113	54.2 Å²	54.2	49%	0.491	27%	0.27	S	S	.	.			trans	-85.5	150	176.8	-70.9	-174.4	175.8	-177.7	0	110.1	Q632 W633	K630-Q632 PolarHBondContact O-N 3.14Å; K630-W633 PolarHBondContact O-N 3.37Å; K630-W633 VanDerWaalsContact O-N 3.08Å
631	K	48.4	Very low	65.3	Low	106 Å²	106	54.3 Å²	54.3	46%	0.461	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	-30.4	178.1	-170.6	-175.7	-175.3	177.4	0	113.8	W633 F634 P639	K631-W633 VanDerWaalsContact C-N 3.32Å; K631-W633 PolarHBondContact O-N 2.97Å; K631-F634 CarbonylContact O-C 3.6Å; K631-F634 VanDerWaalsContact O-C 3.27Å; K631-F634 VanDerWaalsContact O-O 3.04Å; K631-P639 HydrophobicContact CD-CB 4.26Å
632	Q	34.8	Very low	64.9	Low	175 Å²	175	61.9 Å²	61.9	82%	0.818	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.6	-179.5	-168.6	176.7	11.5	0	0	114.8	K630	K630-Q632 PolarHBondContact O-N 3.14Å
633	W	34	Very low	64.7	Low	206 Å²	206	63.7 Å²	63.7	78%	0.78	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-20.8	-179.1	-93.6	78.9	0	0	0	114	K630 K631	K630-W633 PolarHBondContact O-N 3.37Å; K630-W633 VanDerWaalsContact O-N 3.08Å; K631-W633 VanDerWaalsContact C-N 3.32Å; K631-W633 PolarHBondContact O-N 2.97Å
634	F	49.9	Very low	64.4	Low	73 Å²	73	67.2 Å²	67.2	32%	0.32	33%	0.326	S	S	.	.			trans	-141.1	115.1	172.1	-73.7	-86.5	0	0	0	108	P621 K629 K631 N636 S637	P621-F634 HydrophobicContact CB-CZ 4.43Å; P621-F634 HydrophobicContact CG-CE1 4.4Å; P621-F634 HydrophobicContact CG-CZ 4.47Å; K629-F634 HydrophobicContact CB-CD2 4.48Å; K629-F634 HydrophobicContact CD-CD2 3.77Å; K629-F634 HydrophobicContact CD-CE2 3.58Å; K631-F634 CarbonylContact O-C 3.6Å; K631-F634 VanDerWaalsContact O-C 3.27Å; K631-F634 VanDerWaalsContact O-O 3.04Å; F634-N636 PolarHBondContact O-N 2.85Å; F634-S637 PolarHBondContact O-N 3.48Å
635	P	46.9	Very low	64.2	Low	94 Å²	94	66.7 Å²	66.7	61%	0.61	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-19.6	-177.7	24	-34	0	0	0	113
636	N	48.9	Very low	64.2	Low	78 Å²	78	70.3 Å²	70.3	42%	0.417	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-10.3	-179.4	-60.5	-31.1	0	0	0	114.7	M583 F634	M583-N636 VanDerWaalsContact CE-O 3.24Å; M583-N636 WeakPolarHBondContact CE-O 3.4Å; M583-N636 HydrophobicContact CG-CB 3.76Å; M583-N636 VanDerWaalsContact SD-C 3.56Å; M583-N636 HydrophobicContact SD-CB 3.48Å; M583-N636 WeakPolarHBondContact SD-CB 3.24Å; M583-N636 VanDerWaalsContact SD-O 3.35Å; F634-N636 PolarHBondContact O-N 2.85Å
637	S	55.5	Low	64.2	Low	1 Å²	1	70.7 Å²	70.7	1%	0.007	35%	0.351	C	S	.	.	S	Bend	trans	-64.5	147.4	177.4	-175	0	0	0	0	110.6	L626 K629 F634 P639	L626-S637 PolarHBondContact O-OG 3.16Å; K629-S637 PolarHBondContact O-OG 2.89Å; F634-S637 PolarHBondContact O-N 3.48Å; S637-P639 WeakPolarHBondContact O-CD 3.36Å
638	I	60.5	Low	64.5	Low	3 Å²	3	72 Å²	72	2%	0.015	36%	0.359	C	S	.	.			trans	-54.8	109.3	-174.9	-56.8	165.2	0	0	0	108.9	I406 K483 A509 R545 I547	I406-I638 HydrophobicContact CD1-CB 4.36Å; I406-I638 HydrophobicContact CD1-CG2 3.75Å; I406-I638 HydrophobicContact CG2-CG2 4.41Å; K483-I638 PolarHBondContact NZ-O 3.13Å; A509-I638 HydrophobicContact CB-CD1 3.69Å; A509-I638 HydrophobicContact CB-CG1 4.2Å; A509-I638 HydrophobicContact CB-CG2 3.91Å; R545-I638 HydrophobicContact CB-CG1 4.28Å; R545-I638 HydrophobicContact CB-CG2 4.47Å; R545-I638 HydrophobicContact CG-CG2 4.49Å; I547-I638 HydrophobicContact CD1-CD1 3.64Å; I547-I638 HydrophobicContact CD1-CG1 4.06Å; I547-I638 HydrophobicContact CG1-CD1 4.38Å
639	P	60.5	Low	65.5	Low	26 Å²	26	71.9 Å²	71.9	17%	0.169	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-68.3	149.6	173.2	31.5	-31.7	0	0	0	108.3	K631 S637	K631-P639 HydrophobicContact CD-CB 4.26Å; S637-P639 WeakPolarHBondContact O-CD 3.36Å
640	P	66.3	Low	66.9	Low	58 Å²	58	70.2 Å²	70.2	38%	0.377	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-56.2	131.5	168.4	27.1	-34.6	0	0	0	108.4
641	P	75.1	Confident	69	Low	31 Å²	31	64.9 Å²	64.9	20%	0.201	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-64.5	148.6	174.1	30.4	-37.6	0	0	0	109.7	D508 R643	D508-P641 HydrophobicContact CB-CB 4.42Å; D508-P641 HydrophobicContact CB-CG 4.03Å; P641-R643 VanDerWaalsContact CG-NH1 3.3Å; P641-R643 PolarHBondContact O-N 2.9Å
642	E	76.7	Confident	71.2	Confident	184 Å²	184	60.2 Å²	60.2	86%	0.86	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-65	122	173.2	-169.8	176	178.7	0	0	109.7
643	R	82.4	Confident	73.9	Confident	45 Å²	45	51.9 Å²	51.9	17%	0.17	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-102.6	120	-178.4	-60.4	-54.4	-161	-162.1	-5.4	109.7	I405 D508 P641 V645 R670 S732	I405-R643 PolarHBondContact O-NH2 3.45Å; D508-R643 VanDerWaalsContact CG-NH1 3.33Å; D508-R643 IonicContact OD1-CZ 3.82Å; D508-R643 IonicContact OD1-NH1 3.86Å; D508-R643 PolarHBondContact OD1-NH1 3.08Å; D508-R643 IonicContact OD2-CZ 3.01Å; D508-R643 IonicContact OD2-NH1 3.91Å; D508-R643 PolarHBondContact OD2-NH1 3.32Å; D508-R643 VanDerWaalsContact OD2-NH1 3.07Å; D508-R643 IonicContact OD2-NH2 3.07Å; D508-R643 PolarHBondContact OD2-NH2 2.97Å; P641-R643 VanDerWaalsContact CG-NH1 3.3Å; P641-R643 PolarHBondContact O-N 2.9Å; R643-V645 VanDerWaalsContact C-N 3.32Å; R643-V645 HydrophobicContact CB-CG2 4.1Å; R643-V645 PolarHBondContact O-N 3.37Å; R643-R670 VanDerWaalsContact NH1-NH2 3.17Å; R643-S732 WeakPolarHBondContact CD-O 3.49Å; R643-S732 WeakPolarHBondContact CG-O 3.48Å; R643-S732 PolarHBondContact NE-O 2.93Å
644	T	83.7	Confident	76.6	Confident	74 Å²	74	43.2 Å²	43.2	45%	0.454	24%	0.239	S	C	.	.			trans	-87	69.1	-178.1	46.8	0	0	0	0	111.5	G647 S673 G674 S732	T644-G647 PolarHBondContact O-N 3.22Å; T644-S673 WeakPolarHBondContact OG1-CB 3.11Å; T644-G674 PolarHBondContact O-N 3.27Å; T644-S732 PolarHBondContact N-OG 3.1Å
645	V	84.2	Confident	78.5	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.055	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-29.2	-176.9	-174.3	0	0	0	0	113	Y393 R643 G647 G674 A675 F731	Y393-V645 HydrophobicContact CD1-CB 4.33Å; Y393-V645 HydrophobicContact CD1-CG1 4.25Å; Y393-V645 HydrophobicContact CD1-CG2 4.17Å; Y393-V645 HydrophobicContact CD2-CG1 4.11Å; Y393-V645 HydrophobicContact CD2-CG2 3.95Å; Y393-V645 HydrophobicContact CE1-CB 4.44Å; Y393-V645 HydrophobicContact CE1-CG2 3.89Å; Y393-V645 HydrophobicContact CE2-CG2 3.63Å; Y393-V645 HydrophobicContact CG-CB 4.4Å; Y393-V645 HydrophobicContact CG-CG1 3.89Å; Y393-V645 HydrophobicContact CG-CG2 4.2Å; R643-V645 VanDerWaalsContact C-N 3.32Å; R643-V645 HydrophobicContact CB-CG2 4.1Å; R643-V645 PolarHBondContact O-N 3.37Å; V645-G647 VanDerWaalsContact C-N 3.26Å; V645-G647 PolarHBondContact O-N 3.12Å; V645-G674 WeakPolarHBondContact O-CA 3.43Å; V645-A675 HydrophobicContact CG1-CB 4.16Å; V645-F731 HydrophobicContact CG1-CD1 4Å
646	D	85.1	Confident	80.5	Confident	125 Å²	125	40.2 Å²	40.2	67%	0.668	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.8	174.6	-168.8	43.6	0	0	0	113	V390	V390-D646 HydrophobicContact CG2-CB 4.42Å
647	G	85.6	Confident	82.4	Confident	18 Å²	18	38.7 Å²	38.7	19%	0.186	21%	0.211	C	C	.	.	S	Bend	trans	-67.9	165.1	176.7	0	0	0	0	0	113.1	T644 V645 G674	T644-G647 PolarHBondContact O-N 3.22Å; V645-G647 VanDerWaalsContact C-N 3.26Å; V645-G647 PolarHBondContact O-N 3.12Å; G647-G674 WeakPolarHBondContact O-CA 3.39Å
648	P	89.9	Confident	83.8	Confident	30 Å²	30	44.3 Å²	44.3	20%	0.195	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-61.7	147.6	172.7	29.4	-36	0	0	0	110.5	R650 S673 N760	P648-R650 PolarHBondContact O-N 3.45Å; P648-S673 CarbonylContact O-C 3.57Å; P648-S673 PolarHBondContact O-OG 3.04Å; P648-N760 HydrophobicContact CB-CB 4.4Å; P648-N760 WeakPolarHBondContact CG-ND2 3.45Å
649	F	92.8	Very high	84.8	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.009	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-63.4	128.2	179.9	-177	-107.4	0	0	0	110.9	F651 V671 S673 I676 V687 L755 T756 D757	F649-F651 HydrophobicContact CE1-CB 3.71Å; F649-F651 HydrophobicContact CE2-CB 4.25Å; F649-F651 HydrophobicContact CZ-CB 3.44Å; F649-F651 VanDerWaalsContact CZ-CB 3.44Å; F649-F651 HydrophobicContact CZ-CD2 4.45Å; F649-F651 HydrophobicContact CZ-CG 4.21Å; F649-V671 HydrophobicContact CD2-CG1 4.17Å; F649-V671 HydrophobicContact CE2-CG1 3.77Å; F649-V671 HydrophobicContact CE2-CG2 4.15Å; F649-S673 WeakPolarHBondContact CA-O 3.43Å; F649-I676 HydrophobicContact CD1-CD1 4.44Å; F649-I676 HydrophobicContact CD2-CB 4.1Å; F649-I676 HydrophobicContact CE1-CD1 3.76Å; F649-I676 HydrophobicContact CE2-CB 3.62Å; F649-I676 HydrophobicContact CE2-CD1 4.07Å; F649-I676 HydrophobicContact CE2-CG1 4.42Å; F649-I676 HydrophobicContact CE2-CG2 3.79Å; F649-I676 HydrophobicContact CZ-CB 4Å; F649-I676 HydrophobicContact CZ-CD1 3.54Å; F649-I676 HydrophobicContact CZ-CG1 4.36Å; F649-I676 HydrophobicContact CZ-CG2 4.11Å; F649-V687 HydrophobicContact CD1-CG1 4.05Å; F649-V687 HydrophobicContact CE1-CG1 3.89Å; F649-L755 HydrophobicContact CE1-CB 4.33Å; F649-T756 WeakPolarHBondContact O-CA 3.42Å; F649-D757 HydrophobicContact CB-CB 4.47Å; F649-D757 VanDerWaalsContact CB-CG 3.41Å; F649-D757 WeakPolarHBondContact CB-OD1 3.49Å; F649-D757 WeakPolarHBondContact CB-OD2 3.45Å; F649-D757 PolarHBondContact N-OD2 2.91Å; F649-D757 PolarHBondContact O-N 2.97Å
650	R	93	Very high	85.7	Confident	24 Å²	24	49.2 Å²	49.2	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	122.6	173.6	-60.9	179.3	-175.4	105.5	-12.7	108.8	P648 I672 S673 I762 E842	P648-R650 PolarHBondContact O-N 3.45Å; R650-I672 HydrophobicContact CB-CB 4.33Å; R650-I672 PolarHBondContact O-N 3.42Å; R650-S673 WeakPolarHBondContact CD-OG 3.48Å; R650-S673 WeakPolarHBondContact CG-OG 3.41Å; R650-S673 PolarHBondContact N-O 2.89Å; R650-S673 PolarHBondContact NH1-OG 3.24Å; R650-S673 PolarHBondContact O-N 2.87Å; R650-I762 HydrophobicContact CG-CD1 4.48Å; R650-E842 IonicContact CZ-OE1 3.29Å; R650-E842 IonicContact CZ-OE2 3.49Å; R650-E842 IonicContact NE-OE1 2.79Å; R650-E842 PolarHBondContact NE-OE1 2.7Å; R650-E842 IonicContact NE-OE2 3.2Å; R650-E842 IonicContact NH2-OE1 3.05Å; R650-E842 PolarHBondContact NH2-OE1 2.9Å; R650-E842 IonicContact NH2-OE2 2.7Å; R650-E842 PolarHBondContact NH2-OE2 2.96Å
651	F	94.3	Very high	86.1	Confident	1 Å²	1	50.9 Å²	50.9	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.5	177.8	171.8	-85.2	0	0	0	109.7	F649 V653 V667 R670 V671 V736 L738 L754 L755	F649-F651 HydrophobicContact CE1-CB 3.71Å; F649-F651 HydrophobicContact CE2-CB 4.25Å; F649-F651 HydrophobicContact CZ-CB 3.44Å; F649-F651 VanDerWaalsContact CZ-CB 3.44Å; F649-F651 HydrophobicContact CZ-CD2 4.45Å; F649-F651 HydrophobicContact CZ-CG 4.21Å; F651-V653 HydrophobicContact CD1-CG2 4.47Å; F651-V653 HydrophobicContact CE1-CG2 4.29Å; F651-V667 HydrophobicContact CE1-CG1 4.17Å; F651-R670 WeakPolarHBondContact CA-O 3.43Å; F651-V671 HydrophobicContact CD2-CG2 3.92Å; F651-V736 HydrophobicContact CD2-CG2 4.42Å; F651-V736 HydrophobicContact CE2-CG2 3.74Å; F651-L738 HydrophobicContact CD1-CD1 4.11Å; F651-L738 HydrophobicContact CD2-CD1 4.06Å; F651-L738 HydrophobicContact CE1-CD1 3.94Å; F651-L738 HydrophobicContact CE2-CD1 3.91Å; F651-L738 HydrophobicContact CE2-CG 4.14Å; F651-L738 HydrophobicContact CG-CD1 4.15Å; F651-L738 HydrophobicContact CZ-CD1 3.81Å; F651-L738 HydrophobicContact CZ-CG 3.99Å; F651-L754 WeakPolarHBondContact O-CA 3.34Å; F651-L755 HydrophobicContact CB-CB 4.23Å; F651-L755 HydrophobicContact CD1-CB 4.17Å; F651-L755 HydrophobicContact CD1-CD1 3.64Å; F651-L755 HydrophobicContact CD1-CG 3.85Å; F651-L755 HydrophobicContact CE1-CD1 3.93Å; F651-L755 HydrophobicContact CE1-CG 4.48Å; F651-L755 PolarHBondContact N-O 3.16Å; F651-L755 PolarHBondContact O-N 2.85Å
652	V	94.3	Very high	86.1	Confident	7 Å²	7	50.8 Å²	50.8	4%	0.042	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	124.3	174.2	160.8	0	0	0	0	108.5	S654 G669 R670 I672 L754 N792 L850	V652-S654 PolarHBondContact O-N 3.13Å; V652-G669 CarbonylContact O-C 3.52Å; V652-G669 WeakPolarHBondContact O-CA 3.22Å; V652-R670 PolarHBondContact N-O 2.67Å; V652-R670 PolarHBondContact O-N 3Å; V652-R670 VanDerWaalsContact O-N 3.07Å; V652-I672 HydrophobicContact CB-CD1 4.28Å; V652-I672 HydrophobicContact CG2-CD1 3.43Å; V652-I672 VanDerWaalsContact CG2-CD1 3.43Å; V652-I672 HydrophobicContact CG2-CG1 4.39Å; V652-L754 HydrophobicContact CB-CD2 4.37Å; V652-L754 HydrophobicContact CG2-CD2 3.41Å; V652-L754 VanDerWaalsContact CG2-CD2 3.41Å; V652-N792 HydrophobicContact CG1-CB 3.91Å; V652-N792 HydrophobicContact CG2-CB 4.17Å; V652-L850 HydrophobicContact CG2-CD2 3.92Å
653	V	93.4	Very high	86.1	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	124.8	168.9	-179.1	0	0	0	0	109	F651 I656 V667 G752 D753 L755	F651-V653 HydrophobicContact CD1-CG2 4.47Å; F651-V653 HydrophobicContact CE1-CG2 4.29Å; V653-I656 HydrophobicContact CG1-CD1 4.21Å; V653-I656 HydrophobicContact CG1-CG1 3.86Å; V653-V667 HydrophobicContact CB-CG1 4.1Å; V653-V667 HydrophobicContact CG1-CG1 3.56Å; V653-V667 HydrophobicContact CG2-CG1 3.56Å; V653-G752 PolarHBondContact O-N 3.36Å; V653-D753 PolarHBondContact N-O 3.13Å; V653-L755 HydrophobicContact CG2-CD2 4.5Å; V653-L755 HydrophobicContact CG2-CG 4.25Å
654	S	90.5	Very high	86	Confident	25 Å²	25	45.9 Å²	45.9	18%	0.175	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-37.3	173	63.8	0	0	0	0	112.4	V652 A668 G669	V652-S654 PolarHBondContact O-N 3.13Å; S654-A668 PolarHBondContact N-O 3.03Å; S654-A668 PolarHBondContact OG-O 3.12Å; S654-G669 WeakPolarHBondContact OG-CA 3.41Å; S654-G669 PolarHBondContact OG-N 2.92Å
655	D	88.9	Confident	86	Confident	84 Å²	84	42.9 Å²	42.9	45%	0.449	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.4	-178.5	-174.8	31.8	0	0	0	111.5	A668	D655-A668 HydrophobicContact CB-CB 4.38Å; D655-A668 PolarHBondContact N-O 3.48Å; D655-A668 PolarHBondContact O-N 3.27Å
656	I	89.9	Confident	86.2	Confident	19 Å²	19	42.5 Å²	42.5	10%	0.097	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	113.7	-175.7	-59.7	172.6	0	0	0	108.6	V653 P745 F746 L749	V653-I656 HydrophobicContact CG1-CD1 4.21Å; V653-I656 HydrophobicContact CG1-CG1 3.86Å; I656-P745 HydrophobicContact CG2-CB 3.57Å; I656-P745 HydrophobicContact CG2-CG 3.57Å; I656-F746 HydrophobicContact CG2-CD1 4.21Å; I656-F746 HydrophobicContact CG2-CE1 3.91Å; I656-F746 HydrophobicContact CG2-CZ 4.27Å; I656-L749 HydrophobicContact CD1-CB 3.62Å; I656-L749 VanDerWaalsContact CD1-O 3.26Å; I656-L749 WeakPolarHBondContact CD1-O 3.29Å
657	F	87.3	Confident	86.5	Confident	47 Å²	47	36.5 Å²	36.5	21%	0.206	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.9	179.3	62.7	-100.8	0	0	0	112.5	M666 A668 L723 A737	F657-M666 HydrophobicContact CD2-CB 4.14Å; F657-M666 HydrophobicContact CE2-CB 3.77Å; F657-M666 HydrophobicContact CE2-CE 4.19Å; F657-M666 HydrophobicContact CE2-SD 4.22Å; F657-M666 HydrophobicContact CZ-CB 4.17Å; F657-M666 HydrophobicContact CZ-CE 4.18Å; F657-M666 PolarHBondContact N-O 3.08Å; F657-M666 PolarHBondContact O-N 3.49Å; F657-A668 HydrophobicContact CE1-CB 3.89Å; F657-L723 HydrophobicContact CE2-CD1 3.84Å; F657-L723 HydrophobicContact CE2-CD2 4.49Å; F657-L723 HydrophobicContact CZ-CD1 4.02Å; F657-L723 HydrophobicContact CZ-CD2 3.91Å; F657-A737 HydrophobicContact CZ-CB 4.19Å
658	K	85.5	Confident	86.7	Confident	118 Å²	118	35.8 Å²	35.8	51%	0.513	24%	0.236	S	C	.	.			trans	-112.7	111.1	175.5	-175.8	170.9	179.6	163.1	0	108.9	S662 S663 F746	K658-S662 WeakPolarHBondContact CE-O 3.35Å; K658-S663 VanDerWaalsContact CE-O 3.28Å; K658-S663 WeakPolarHBondContact CE-O 3.37Å; K658-S663 PolarHBondContact NZ-O 2.91Å; K658-F746 HydrophobicContact CB-CZ 4.48Å
659	P	80.5	Confident	86.8	Confident	20 Å²	20	34.5 Å²	34.5	13%	0.13	23%	0.228	C	C	.	.			trans	-69	142.9	-179.2	31	-36.4	0	0	0	110.3	G661 S662 M666	P659-G661 PolarHBondContact O-N 3.42Å; P659-S662 PolarHBondContact O-N 3.16Å; P659-S662 VanDerWaalsContact O-N 3.12Å; P659-M666 HydrophobicContact CB-SD 4.25Å; P659-M666 HydrophobicContact CG-CG 4.03Å; P659-M666 HydrophobicContact CG-SD 3.65Å
660	A	79.5	Confident	86.8	Confident	112 Å²	112	35.4 Å²	35.4	93%	0.926	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	134.5	179.2	0	0	0	0	0	111.3	S662	A660-S662 VanDerWaalsContact C-N 3.31Å; A660-S662 PolarHBondContact O-N 3.35Å
661	G	76.2	Confident	86.8	Confident	94 Å²	94	34.2 Å²	34.2	97%	0.969	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-10.5	-177.9	0	0	0	0	0	115.9	P659	P659-G661 PolarHBondContact O-N 3.42Å
662	S	74	Confident	86.7	Confident	29 Å²	29	35.2 Å²	35.2	20%	0.203	23%	0.232	C	C	.	.			trans	-98.9	136.2	171.4	-173.3	0	0	0	0	111.2	K658 P659 A660 V664	K658-S662 WeakPolarHBondContact CE-O 3.35Å; P659-S662 PolarHBondContact O-N 3.16Å; P659-S662 VanDerWaalsContact O-N 3.12Å; A660-S662 VanDerWaalsContact C-N 3.31Å; A660-S662 PolarHBondContact O-N 3.35Å; S662-V664 VanDerWaalsContact C-N 3.34Å; S662-V664 WeakPolarHBondContact OG-CB 3.41Å; S662-V664 PolarHBondContact OG-N 2.95Å; S662-V664 PolarHBondContact OG-O 3.02Å
663	S	76.3	Confident	86.5	Confident	99 Å²	99	34.9 Å²	34.9	69%	0.692	23%	0.23	S	C	*	.	S	Bend	trans	-73.8	-30.3	162.1	54.9	0	0	0	0	112.1	K658	K658-S663 VanDerWaalsContact CE-O 3.28Å; K658-S663 WeakPolarHBondContact CE-O 3.37Å; K658-S663 PolarHBondContact NZ-O 2.91Å
664	V	80.4	Confident	86.3	Confident	27 Å²	27	35 Å²	35	16%	0.164	23%	0.231	C	C	.	.	S	Bend	trans	-78.6	134.3	-173.4	-168.4	0	0	0	0	110.8	S662 M739 L740	S662-V664 VanDerWaalsContact C-N 3.34Å; S662-V664 WeakPolarHBondContact OG-CB 3.41Å; S662-V664 PolarHBondContact OG-N 2.95Å; S662-V664 PolarHBondContact OG-O 3.02Å; V664-M739 HydrophobicContact CB-CG 4.08Å; V664-M739 HydrophobicContact CB-SD 4.05Å; V664-M739 HydrophobicContact CG1-CG 3.44Å; V664-M739 VanDerWaalsContact CG1-CG 3.44Å; V664-M739 HydrophobicContact CG1-SD 3.99Å; V664-L740 WeakPolarHBondContact CG1-O 3.49Å
665	P	83.7	Confident	86.3	Confident	11 Å²	11	34.3 Å²	34.3	7%	0.071	23%	0.227	C	C	.	.			trans	-68.9	160.8	178.8	33.2	-42.5	0	0	0	114	P745	P665-P745 HydrophobicContact CB-CB 4.15Å; P665-P745 HydrophobicContact CB-CG 3.38Å; P665-P745 HydrophobicContact CG-CG 4.06Å
666	M	88.2	Confident	86.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135	165.6	-73.1	-175	54.7	0	0	110.7	F657 P659 R702 A737 L738 M739	F657-M666 HydrophobicContact CD2-CB 4.14Å; F657-M666 HydrophobicContact CE2-CB 3.77Å; F657-M666 HydrophobicContact CE2-CE 4.19Å; F657-M666 HydrophobicContact CE2-SD 4.22Å; F657-M666 HydrophobicContact CZ-CB 4.17Å; F657-M666 HydrophobicContact CZ-CE 4.18Å; F657-M666 PolarHBondContact N-O 3.08Å; F657-M666 PolarHBondContact O-N 3.49Å; P659-M666 HydrophobicContact CB-SD 4.25Å; P659-M666 HydrophobicContact CG-CG 4.03Å; P659-M666 HydrophobicContact CG-SD 3.65Å; M666-R702 HydrophobicContact CE-CB 4.07Å; M666-R702 HydrophobicContact CE-CG 3.75Å; M666-A737 HydrophobicContact CE-CB 3.31Å; M666-L738 WeakPolarHBondContact CA-O 3.36Å; M666-M739 HydrophobicContact CG-CB 4.2Å; M666-M739 HydrophobicContact CG-CE 4.02Å; M666-M739 HydrophobicContact SD-CE 4Å
667	V	91.8	Very high	86.4	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.2	-179.5	-176	0	0	0	0	107.5	F651 V653 A737 L738 L740 L749	F651-V667 HydrophobicContact CE1-CG1 4.17Å; V653-V667 HydrophobicContact CB-CG1 4.1Å; V653-V667 HydrophobicContact CG1-CG1 3.56Å; V653-V667 HydrophobicContact CG2-CG1 3.56Å; V667-A737 CarbonylContact O-C 3.6Å; V667-A737 WeakPolarHBondContact O-CA 3.35Å; V667-L738 PolarHBondContact N-O 3Å; V667-L738 PolarHBondContact O-N 2.94Å; V667-L740 HydrophobicContact CB-CD1 4.45Å; V667-L740 HydrophobicContact CG2-CD1 3.79Å; V667-L740 HydrophobicContact CG2-CG 4.16Å; V667-L749 HydrophobicContact CG2-CD1 4.02Å
668	A	91	Very high	86.3	Confident	3 Å²	3	28 Å²	28	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	148.1	176.7	0	0	0	0	0	110.8	S654 D655 F657 L704 A737	S654-A668 PolarHBondContact N-O 3.03Å; S654-A668 PolarHBondContact OG-O 3.12Å; D655-A668 HydrophobicContact CB-CB 4.38Å; D655-A668 PolarHBondContact N-O 3.48Å; D655-A668 PolarHBondContact O-N 3.27Å; F657-A668 HydrophobicContact CE1-CB 3.89Å; A668-L704 HydrophobicContact CB-CD2 4.46Å; A668-A737 HydrophobicContact CB-CB 4.26Å
669	G	91.8	Very high	85.9	Confident	3 Å²	3	24 Å²	24	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-169.4	-175.7	0	0	0	0	0	113.5	V652 S654 Q735 V736	V652-G669 CarbonylContact O-C 3.52Å; V652-G669 WeakPolarHBondContact O-CA 3.22Å; S654-G669 WeakPolarHBondContact OG-CA 3.41Å; S654-G669 PolarHBondContact OG-N 2.92Å; G669-Q735 WeakPolarHBondContact O-CA 3.12Å; G669-V736 PolarHBondContact N-O 2.74Å; G669-V736 PolarHBondContact O-N 2.8Å
670	R	92.1	Very high	85.5	Confident	20 Å²	20	25.7 Å²	25.7	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130	-176.4	-172.4	-175	-175.9	-165.2	6.7	110.9	N407 T505 Q506 D508 R643 F651 V652 I672 G733 D734	N407-R670 PolarHBondContact ND2-NE 2.84Å; N407-R670 VanDerWaalsContact ND2-NE 3.13Å; N407-R670 PolarHBondContact ND2-NH2 3.01Å; T505-R670 PolarHBondContact O-NH1 3.4Å; Q506-R670 VanDerWaalsContact C-NH1 3.31Å; Q506-R670 PolarHBondContact O-NE 3.43Å; Q506-R670 PolarHBondContact O-NH1 3.31Å; D508-R670 IonicContact OD1-CZ 2.76Å; D508-R670 IonicContact OD1-NH1 2.71Å; D508-R670 IonicContact OD1-NH2 2.91Å; D508-R670 PolarHBondContact OD1-NH2 2.94Å; D508-R670 IonicContact OD2-NH2 3.38Å; D508-R670 PolarHBondContact OD2-NH2 2.91Å; D508-R670 VanDerWaalsContact OD2-NH2 3.16Å; R643-R670 VanDerWaalsContact NH1-NH2 3.17Å; F651-R670 WeakPolarHBondContact CA-O 3.43Å; V652-R670 PolarHBondContact N-O 2.67Å; V652-R670 PolarHBondContact O-N 3Å; V652-R670 VanDerWaalsContact O-N 3.07Å; R670-I672 PolarHBondContact O-N 3.12Å; R670-G733 PolarHBondContact NE-O 3.1Å; R670-D734 WeakPolarHBondContact CA-O 3.31Å
671	V	93.3	Very high	85	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	116.6	167.5	-172.1	0	0	0	0	108.1	F649 F651 A730 F731 G733 D734 V736	F649-V671 HydrophobicContact CD2-CG1 4.17Å; F649-V671 HydrophobicContact CE2-CG1 3.77Å; F649-V671 HydrophobicContact CE2-CG2 4.15Å; F651-V671 HydrophobicContact CD2-CG2 3.92Å; V671-A730 HydrophobicContact CG2-CB 4.3Å; V671-F731 WeakPolarHBondContact CB-O 3.48Å; V671-G733 PolarHBondContact O-N 2.96Å; V671-D734 PolarHBondContact N-O 2.81Å; V671-V736 HydrophobicContact CG2-CG2 4.08Å
672	I	91.6	Very high	85.1	Confident	22 Å²	22	23.7 Å²	23.7	11%	0.113	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-50.5	177.6	-69.7	-179.2	0	0	0	110.4	R650 V652 R670 S732 P849 L850	R650-I672 HydrophobicContact CB-CB 4.33Å; R650-I672 PolarHBondContact O-N 3.42Å; V652-I672 HydrophobicContact CB-CD1 4.28Å; V652-I672 HydrophobicContact CG2-CD1 3.43Å; V652-I672 VanDerWaalsContact CG2-CD1 3.43Å; V652-I672 HydrophobicContact CG2-CG1 4.39Å; R670-I672 PolarHBondContact O-N 3.12Å; I672-S732 PolarHBondContact O-OG 3.45Å; I672-P849 HydrophobicContact CD1-CB 4.26Å; I672-P849 HydrophobicContact CG2-CB 4.18Å; I672-P849 HydrophobicContact CG2-CG 4.01Å; I672-L850 HydrophobicContact CD1-CD2 3.7Å; I672-L850 HydrophobicContact CD1-CG 4.04Å
673	S	90.9	Very high	85.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.2	178.6	61.3	0	0	0	0	110.9	T644 P648 F649 R650	T644-S673 WeakPolarHBondContact OG1-CB 3.11Å; P648-S673 CarbonylContact O-C 3.57Å; P648-S673 PolarHBondContact O-OG 3.04Å; F649-S673 WeakPolarHBondContact CA-O 3.43Å; R650-S673 WeakPolarHBondContact CD-OG 3.48Å; R650-S673 WeakPolarHBondContact CG-OG 3.41Å; R650-S673 PolarHBondContact N-O 2.89Å; R650-S673 PolarHBondContact NH1-OG 3.24Å; R650-S673 PolarHBondContact O-N 2.87Å
674	G	89.6	Confident	85.8	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.01	16%	0.16	C	C	.	.	S	Bend	trans	76.4	-161.6	-177	0	0	0	0	0	113.8	T644 V645 G647 S732	T644-G674 PolarHBondContact O-N 3.27Å; V645-G674 WeakPolarHBondContact O-CA 3.43Å; G647-G674 WeakPolarHBondContact O-CA 3.39Å; G674-S732 PolarHBondContact O-N 2.77Å
675	A	90	Very high	86	Confident	12 Å²	12	25 Å²	25	10%	0.099	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.7	180	0	0	0	0	0	110.4	L389 V645 A730 F731	L389-A675 HydrophobicContact CB-CB 4.02Å; L389-A675 HydrophobicContact CD1-CB 4.19Å; V645-A675 HydrophobicContact CG1-CB 4.16Å; A675-A730 CarbonylContact C-O 3.56Å; A675-A730 VanDerWaalsContact CA-O 3.28Å; A675-A730 WeakPolarHBondContact CA-O 3.14Å; A675-F731 HydrophobicContact CB-CD1 3.65Å; A675-F731 HydrophobicContact CB-CE1 4.09Å
676	I	90.8	Very high	86.3	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	146	-179.1	-165.9	161.2	0	0	0	112.1	F649 V687 V698 I701 F729 A730 L738	F649-I676 HydrophobicContact CD1-CD1 4.44Å; F649-I676 HydrophobicContact CD2-CB 4.1Å; F649-I676 HydrophobicContact CE1-CD1 3.76Å; F649-I676 HydrophobicContact CE2-CB 3.62Å; F649-I676 HydrophobicContact CE2-CD1 4.07Å; F649-I676 HydrophobicContact CE2-CG1 4.42Å; F649-I676 HydrophobicContact CE2-CG2 3.79Å; F649-I676 HydrophobicContact CZ-CB 4Å; F649-I676 HydrophobicContact CZ-CD1 3.54Å; F649-I676 HydrophobicContact CZ-CG1 4.36Å; F649-I676 HydrophobicContact CZ-CG2 4.11Å; I676-V687 HydrophobicContact CD1-CG1 3.59Å; I676-V698 HydrophobicContact CD1-CB 4.39Å; I676-V698 HydrophobicContact CD1-CG2 3.53Å; I676-V698 HydrophobicContact CG1-CG2 4.33Å; I676-I701 HydrophobicContact CG2-CD1 3.96Å; I676-F729 CarbonylContact O-C 3.53Å; I676-F729 VanDerWaalsContact O-CA 3.27Å; I676-F729 WeakPolarHBondContact O-CA 3.1Å; I676-A730 HydrophobicContact CG2-CB 3.95Å; I676-A730 PolarHBondContact N-O 2.85Å; I676-A730 PolarHBondContact O-N 2.92Å; I676-L738 HydrophobicContact CD1-CD1 4.4Å; I676-L738 HydrophobicContact CG2-CD2 4.45Å
677	S	89	Confident	86.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.6	177.9	-174.2	0	0	0	0	113.1	G679 S685 K728 F729	S677-G679 VanDerWaalsContact C-N 3.31Å; S677-G679 PolarHBondContact OG-N 2.94Å; S677-S685 PolarHBondContact N-OG 2.99Å; S677-S685 PolarHBondContact O-N 3.34Å; S677-S685 VanDerWaalsContact O-N 3.13Å; S677-K728 PolarHBondContact OG-O 3Å; S677-F729 WeakPolarHBondContact OG-CD1 3.44Å; S677-F729 VanDerWaalsContact OG-CE1 3.31Å; S677-F729 WeakPolarHBondContact OG-CE1 3.11Å
678	S	86	Confident	86.6	Confident	16 Å²	16	31 Å²	31	11%	0.112	18%	0.181	C	C	.	.			trans	-82	1.8	174	65.4	0	0	0	0	114.7	K728	S678-K728 PolarHBondContact N-O 2.82Å; S678-K728 VanDerWaalsContact N-O 3.15Å; S678-K728 PolarHBondContact OG-O 2.86Å
679	G	77.8	Confident	86.7	Confident	33 Å²	33	30.9 Å²	30.9	34%	0.34	18%	0.179	S	C	.	.	S	Bend	trans	100.9	12.3	-179.9	0	0	0	0	0	116.2	S677 I682 T684	S677-G679 VanDerWaalsContact C-N 3.31Å; S677-G679 PolarHBondContact OG-N 2.94Å; G679-I682 CarbonylContact C-O 3.56Å; G679-I682 WeakPolarHBondContact CA-O 3.41Å; G679-T684 VanDerWaalsContact CA-OG1 3.27Å; G679-T684 WeakPolarHBondContact CA-OG1 3.36Å
680	V	71	Confident	86.7	Confident	56 Å²	56	31 Å²	31	34%	0.339	18%	0.179	S	C	.	.	S	Bend	trans	-97.8	117.9	177.9	-174.2	0	0	0	0	108.9	I682 K728	V680-I682 PolarHBondContact O-N 2.88Å; V680-K728 HydrophobicContact CB-CB 4.34Å; V680-K728 HydrophobicContact CB-CD 4.19Å; V680-K728 HydrophobicContact CB-CG 4.07Å; V680-K728 HydrophobicContact CG1-CD 3.79Å; V680-K728 HydrophobicContact CG1-CG 4.14Å; V680-K728 HydrophobicContact CG2-CG 4.4Å
681	N	68.5	Low	86.5	Confident	145 Å²	145	32.1 Å²	32.1	78%	0.775	19%	0.189	S	C	*	.	S	Bend	trans	64.2	-32.3	-172.8	-57	-6.4	0	0	0	115.8
682	I	79.5	Confident	86.2	Confident	19 Å²	19	34.8 Å²	34.8	10%	0.097	21%	0.208	C	C	.	.	S	Bend	trans	-111.3	144.3	174.6	-64.1	-179.4	0	0	0	107.7	L389 E392 G679 V680 F729	L389-I682 HydrophobicContact CD2-CD1 3.75Å; L389-I682 HydrophobicContact CD2-CG2 4.2Å; L389-I682 HydrophobicContact CG-CD1 4.29Å; L389-I682 HydrophobicContact CG-CG2 4.5Å; E392-I682 HydrophobicContact CG-CD1 3.79Å; G679-I682 CarbonylContact C-O 3.56Å; G679-I682 WeakPolarHBondContact CA-O 3.41Å; V680-I682 PolarHBondContact O-N 2.88Å; I682-F729 HydrophobicContact CB-CE1 4.14Å; I682-F729 HydrophobicContact CD1-CE1 3.77Å; I682-F729 HydrophobicContact CD1-CZ 4.08Å; I682-F729 HydrophobicContact CG1-CE1 4.1Å; I682-F729 HydrophobicContact CG1-CZ 4.36Å
683	P	80.2	Confident	86.1	Confident	110 Å²	110	38.4 Å²	38.4	71%	0.714	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-55.1	144.9	176	22.3	-35.3	0	0	0	112.6	S685	P683-S685 PolarHBondContact O-N 3.46Å
684	T	83.6	Confident	86.1	Confident	63 Å²	63	40.6 Å²	40.6	39%	0.387	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-56.1	126.8	177.2	-59	0	0	0	0	111.2	G679 K686 C697 V698	G679-T684 VanDerWaalsContact CA-OG1 3.27Å; G679-T684 WeakPolarHBondContact CA-OG1 3.36Å; T684-K686 PolarHBondContact O-N 3.23Å; T684-C697 HydrophobicContact CG2-CB 4.29Å; T684-V698 WeakPolarHBondContact CG2-O 3.46Å
685	S	86.6	Confident	86.2	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.063	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-67.7	132.2	176.4	-58.5	0	0	0	0	111.1	S677 P683 V698	S677-S685 PolarHBondContact N-OG 2.99Å; S677-S685 PolarHBondContact O-N 3.34Å; S677-S685 VanDerWaalsContact O-N 3.13Å; P683-S685 PolarHBondContact O-N 3.46Å; S685-V698 PolarHBondContact O-N 2.84Å
686	K	90	Very high	86.2	Confident	133 Å²	133	48.8 Å²	48.8	58%	0.578	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.8	168	-59.4	-173.8	179.3	-179.4	0	108.3	T684 T696 P758	T684-K686 PolarHBondContact O-N 3.23Å; K686-T696 WeakPolarHBondContact CA-O 2.99Å; K686-P758 VanDerWaalsContact O-CD 3.22Å; K686-P758 WeakPolarHBondContact O-CD 3.18Å
687	V	92.4	Very high	86.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	159.7	179.2	-61	0	0	0	0	110.4	F649 I676 T696 V698 L740 T756	F649-V687 HydrophobicContact CD1-CG1 4.05Å; F649-V687 HydrophobicContact CE1-CG1 3.89Å; I676-V687 HydrophobicContact CD1-CG1 3.59Å; V687-T696 VanDerWaalsContact CG2-OG1 3.29Å; V687-T696 WeakPolarHBondContact CG2-OG1 3.41Å; V687-T696 PolarHBondContact N-O 2.85Å; V687-T696 PolarHBondContact O-N 3.14Å; V687-V698 HydrophobicContact CG1-CG2 4.41Å; V687-V698 HydrophobicContact CG2-CG2 4.3Å; V687-L740 HydrophobicContact CG2-CD2 4.36Å; V687-T756 CarbonylContact C-O 3.58Å; V687-T756 WeakPolarHBondContact CA-O 3.3Å
688	I	93	Very high	86.2	Confident	4 Å²	4	50.6 Å²	50.6	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.2	175.1	-162.3	164.6	0	0	0	110.5	L690 D693 R695 L755 T756 P761	I688-L690 HydrophobicContact CG2-CD1 4.44Å; I688-L690 HydrophobicContact CG2-CD2 4.49Å; I688-L690 HydrophobicContact CG2-CG 4.33Å; I688-D693 WeakPolarHBondContact CD1-OD1 3.41Å; I688-R695 HydrophobicContact CD1-CG 3.83Å; I688-R695 HydrophobicContact CG1-CG 3.96Å; I688-L755 WeakPolarHBondContact O-CA 3.48Å; I688-T756 WeakPolarHBondContact CG2-OG1 3.29Å; I688-T756 PolarHBondContact N-O 2.8Å; I688-T756 PolarHBondContact O-N 3.24Å; I688-P761 HydrophobicContact CG2-CB 4.31Å
689	C	92.5	Very high	86.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.1	-178.4	-61.5	0	0	0	0	109.9	S692 D693 V694 I743 L749 L755	C689-S692 CarbonylContact O-C 3.57Å; C689-S692 PolarHBondContact O-N 2.67Å; C689-D693 WeakPolarHBondContact O-CA 3.41Å; C689-D693 PolarHBondContact O-N 3.15Å; C689-V694 HydrophobicContact CB-CB 4.41Å; C689-V694 WeakPolarHBondContact CB-O 3.42Å; C689-V694 PolarHBondContact N-O 3.49Å; C689-V694 PolarHBondContact O-N 3.47Å; C689-I743 HydrophobicContact CB-CD1 4.16Å; C689-I743 WeakPolarHBondContact SG-CD1 3.37Å; C689-L749 HydrophobicContact CB-CD2 3.88Å; C689-L755 HydrophobicContact CB-CD2 4.01Å; C689-L755 WeakPolarHBondContact SG-CD2 3.37Å
690	L	91.7	Very high	86.8	Confident	5 Å²	5	55 Å²	55	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.3	-176.5	-59.6	171.5	0	0	0	109.5	I688 D753 L754 T756 P761 I762 C840	I688-L690 HydrophobicContact CG2-CD1 4.44Å; I688-L690 HydrophobicContact CG2-CD2 4.49Å; I688-L690 HydrophobicContact CG2-CG 4.33Å; L690-D753 WeakPolarHBondContact O-CB 3.41Å; L690-L754 PolarHBondContact N-O 3.11Å; L690-L754 PolarHBondContact O-N 3.32Å; L690-T756 HydrophobicContact CD1-CG2 3.97Å; L690-T756 WeakPolarHBondContact CD1-OG1 3.24Å; L690-P761 HydrophobicContact CD1-CB 4.19Å; L690-I762 HydrophobicContact CD1-CB 4.02Å; L690-I762 VanDerWaalsContact CD1-N 3.32Å; L690-I762 WeakPolarHBondContact CD1-O 3.23Å; L690-C840 HydrophobicContact CB-CB 4.41Å
691	P	89	Confident	87.7	Confident	45 Å²	45	52.3 Å²	52.3	29%	0.292	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.4	-4	21.3	34	-36.5	0	0	0	116.6	D693 D753 P764	P691-D693 VanDerWaalsContact C-N 3.26Å; P691-D693 PolarHBondContact O-N 2.89Å; P691-D753 WeakPolarHBondContact CD-OD1 3.12Å; P691-P764 HydrophobicContact CB-CB 4.38Å
692	S	87.5	Confident	88.6	Confident	55 Å²	55	47.5 Å²	47.5	39%	0.385	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.7	-169.5	-53.8	0	0	0	0	116.1	C689 V694 T748	C689-S692 CarbonylContact O-C 3.57Å; C689-S692 PolarHBondContact O-N 2.67Å; S692-V694 WeakPolarHBondContact O-CG2 3.48Å; S692-V694 PolarHBondContact O-N 3.4Å; S692-V694 VanDerWaalsContact O-N 3.16Å; S692-T748 WeakPolarHBondContact CB-O 3.21Å; S692-T748 PolarHBondContact OG-O 3.28Å
693	D	89	Confident	88.7	Confident	99 Å²	99	47 Å²	47	53%	0.529	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	22.9	-177	-154.3	44.1	0	0	0	115.5	I688 C689 P691	I688-D693 WeakPolarHBondContact CD1-OD1 3.41Å; C689-D693 WeakPolarHBondContact O-CA 3.41Å; C689-D693 PolarHBondContact O-N 3.15Å; P691-D693 VanDerWaalsContact C-N 3.26Å; P691-D693 PolarHBondContact O-N 2.89Å
694	V	90.3	Very high	88.3	Confident	46 Å²	46	43.1 Å²	43.1	28%	0.279	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.9	-178.6	-172.8	0	0	0	0	110.4	C689 S692 I743 T748	C689-V694 HydrophobicContact CB-CB 4.41Å; C689-V694 WeakPolarHBondContact CB-O 3.42Å; C689-V694 PolarHBondContact N-O 3.49Å; C689-V694 PolarHBondContact O-N 3.47Å; S692-V694 WeakPolarHBondContact O-CG2 3.48Å; S692-V694 PolarHBondContact O-N 3.4Å; S692-V694 VanDerWaalsContact O-N 3.16Å; V694-I743 HydrophobicContact CB-CD1 3.9Å; V694-I743 HydrophobicContact CB-CG1 4.33Å; V694-I743 HydrophobicContact CG1-CD1 3.66Å; V694-I743 HydrophobicContact CG1-CG1 3.57Å; V694-T748 HydrophobicContact CG2-CG2 4.45Å
695	R	91.3	Very high	87.2	Confident	181 Å²	181	40.3 Å²	40.3	68%	0.683	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	135.7	178.7	-61	178.2	-174.5	-171	-0.6	110.9	I688	I688-R695 HydrophobicContact CD1-CG 3.83Å; I688-R695 HydrophobicContact CG1-CG 3.96Å
696	T	90	Very high	85.7	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	167.5	178.4	56	0	0	0	0	112.8	K686 V687 T741 I743	K686-T696 WeakPolarHBondContact CA-O 2.99Å; V687-T696 VanDerWaalsContact CG2-OG1 3.29Å; V687-T696 WeakPolarHBondContact CG2-OG1 3.41Å; V687-T696 PolarHBondContact N-O 2.85Å; V687-T696 PolarHBondContact O-N 3.14Å; T696-T741 VanDerWaalsContact CB-O 3.31Å; T696-T741 WeakPolarHBondContact CB-O 3.28Å; T696-T741 WeakPolarHBondContact CG2-O 3.37Å; T696-I743 HydrophobicContact CG2-CB 3.86Å; T696-I743 HydrophobicContact CG2-CD1 3.27Å; T696-I743 HydrophobicContact CG2-CG1 3.38Å
697	C	89.5	Confident	83.6	Confident	39 Å²	39	36.3 Å²	36.3	26%	0.264	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.2	171.6	-57	0	0	0	0	110.2	T684 T741	T684-C697 HydrophobicContact CG2-CB 4.29Å; C697-T741 PolarHBondContact O-N 3.36Å; C697-T741 PolarHBondContact O-OG1 3.16Å
698	V	90.7	Very high	81	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.1	178.3	179.4	0	0	0	0	110.9	I676 T684 S685 V687 I701 L738 L740	I676-V698 HydrophobicContact CD1-CB 4.39Å; I676-V698 HydrophobicContact CD1-CG2 3.53Å; I676-V698 HydrophobicContact CG1-CG2 4.33Å; T684-V698 WeakPolarHBondContact CG2-O 3.46Å; S685-V698 PolarHBondContact O-N 2.84Å; V687-V698 HydrophobicContact CG1-CG2 4.41Å; V687-V698 HydrophobicContact CG2-CG2 4.3Å; V698-I701 HydrophobicContact CG1-CG1 3.8Å; V698-L738 HydrophobicContact CG1-CD2 4.18Å; V698-L740 HydrophobicContact CG2-CD2 3.79Å
699	K	88.2	Confident	78	Confident	125 Å²	125	47.5 Å²	47.5	54%	0.543	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-37.9	-179.4	-178.7	174.2	180	-179.8	0	113.5	M739 T741	K699-M739 HydrophobicContact CB-CG 4.33Å; K699-M739 HydrophobicContact CD-SD 4.03Å; K699-M739 HydrophobicContact CG-SD 4.45Å; K699-M739 PolarHBondContact N-O 3.48Å; K699-T741 HydrophobicContact CB-CG2 3.92Å; K699-T741 HydrophobicContact CD-CG2 4.17Å
700	S	87.8	Confident	75.1	Confident	16 Å²	16	51.7 Å²	51.7	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	144.2	177.9	68.2	0	0	0	0	110.7	M739	S700-M739 PolarHBondContact O-N 2.93Å; S700-M739 VanDerWaalsContact OG-CB 3.26Å; S700-M739 WeakPolarHBondContact OG-CB 3.38Å
701	I	89.8	Confident	72.2	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.3	173.8	-57.6	160.9	0	0	0	107.5	I676 V698 V726 V727 A730 V736 L738	I676-I701 HydrophobicContact CG2-CD1 3.96Å; V698-I701 HydrophobicContact CG1-CG1 3.8Å; I701-V726 CarbonylContact O-C 3.57Å; I701-V726 WeakPolarHBondContact O-CA 3.19Å; I701-V726 WeakPolarHBondContact O-CG1 3.43Å; I701-V727 PolarHBondContact O-N 3.17Å; I701-A730 HydrophobicContact CG2-CB 3.95Å; I701-V736 HydrophobicContact CG2-CB 3.97Å; I701-V736 HydrophobicContact CG2-CG1 4.11Å; I701-V736 HydrophobicContact CG2-CG2 4.31Å; I701-L738 HydrophobicContact CB-CD2 4.35Å; I701-L738 HydrophobicContact CG1-CD2 3.81Å; I701-L738 HydrophobicContact CG2-CD2 4.11Å
702	R	87.3	Confident	69.2	Low	44 Å²	44	65.6 Å²	65.6	17%	0.166	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.8	171.8	-48.2	-151.5	-167.1	-173	-1.9	109.6	M666 L723 D724 V726 V736 A737	M666-R702 HydrophobicContact CE-CB 4.07Å; M666-R702 HydrophobicContact CE-CG 3.75Å; R702-L723 WeakPolarHBondContact CD-O 3.48Å; R702-L723 PolarHBondContact NH1-O 3.48Å; R702-D724 IonicContact NH1-OD1 3.14Å; R702-D724 PolarHBondContact NH1-OD1 3.06Å; R702-V726 HydrophobicContact CG-CG2 4.5Å; R702-V736 CarbonylContact O-C 3.59Å; R702-V736 VanDerWaalsContact O-CA 3.29Å; R702-V736 WeakPolarHBondContact O-CA 3.48Å; R702-V736 WeakPolarHBondContact O-CB 3.37Å; R702-A737 PolarHBondContact N-O 2.83Å; R702-A737 PolarHBondContact O-N 3.43Å
703	S	81.4	Confident	66.7	Low	9 Å²	9	69 Å²	69	6%	0.063	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.4	175.7	174.3	0	0	0	0	110.4	C705 N706	S703-C705 PolarHBondContact OG-N 3.34Å; S703-C705 VanDerWaalsContact OG-N 3.1Å; S703-C705 PolarHBondContact OG-SG 2.73Å; S703-N706 PolarHBondContact OG-N 2.71Å; S703-N706 PolarHBondContact OG-OD1 2.98Å
704	L	73.3	Confident	64	Low	28 Å²	28	68.8 Å²	68.8	15%	0.147	36%	0.358	C	S	.	.	S	Bend	trans	-84.9	-14.9	168.8	-71.2	88	0	0	0	112	A668 L722 Q735 V736 A737	A668-L704 HydrophobicContact CB-CD2 4.46Å; L704-L722 WeakPolarHBondContact O-CD2 3.46Å; L704-Q735 PolarHBondContact N-O 2.67Å; L704-Q735 VanDerWaalsContact N-O 3.09Å; L704-V736 VanDerWaalsContact CD1-CA 3.47Å; L704-A737 HydrophobicContact CD1-CB 3.89Å; L704-A737 VanDerWaalsContact CD1-N 3.29Å
705	C	60	Low	61.1	Low	4 Å²	4	76.2 Å²	76.2	3%	0.027	39%	0.39	C	S	.	.	S	Bend	trans	-112.7	11.5	-169	51.7	0	0	0	0	115.1	S477 A486 S703	S477-C705 WeakPolarHBondContact CB-O 3.48Å; S477-C705 PolarHBondContact OG-O 3.04Å; A486-C705 HydrophobicContact CB-CB 4.08Å; S703-C705 PolarHBondContact OG-N 3.34Å; S703-C705 VanDerWaalsContact OG-N 3.1Å; S703-C705 PolarHBondContact OG-SG 2.73Å
706	N	54.9	Low	58.1	Low	30 Å²	30	70.8 Å²	70.8	16%	0.16	39%	0.39	C	S	.	.			trans	-95.3	107.1	172.3	-78.4	6	0	0	0	111.6	R484 S703 Q725	R484-N706 PolarHBondContact NH1-OD1 3.48Å; S703-N706 PolarHBondContact OG-N 2.71Å; S703-N706 PolarHBondContact OG-OD1 2.98Å; N706-Q725 VanDerWaalsContact CB-OE1 3.3Å; N706-Q725 PolarHBondContact ND2-OE1 2.89Å
707	T	46.7	Very low	55.2	Low	28 Å²	28	77.6 Å²	77.6	17%	0.172	43%	0.427	C	S	.	.			trans	-76.4	146.4	162.3	36.6	0	0	0	0	110.5	S477 T709	S477-T707 VanDerWaalsContact O-CG2 3.3Å; S477-T707 WeakPolarHBondContact O-CG2 3.42Å; T707-T709 PolarHBondContact O-N 2.69Å
708	R	36.4	Very low	52.5	Low	151 Å²	151	82.1 Å²	82.1	57%	0.57	45%	0.447	S	S	*	.			trans	-67.5	97.2	-177.7	-68.2	-176.5	-179	-173.7	-1.7	111.6
709	T	31.3	Very low	49.6	Very low	89 Å²	89	85.5 Å²	85.5	55%	0.546	48%	0.482	S	S	.	.			trans	-97.4	57.6	165.1	40.3	0	0	0	0	111.5	T707	T707-T709 PolarHBondContact O-N 2.69Å
710	S	31.6	Very low	46.8	Very low	88 Å²	88	82.8 Å²	82.8	62%	0.615	49%	0.49	S	S	*	.			trans	-135.9	116.9	168.3	-71	0	0	0	0	109.5	N712	S710-N712 PolarHBondContact O-N 2.85Å
711	Q	29.9	Very low	44.6	Very low	201 Å²	201	87.4 Å²	87.4	94%	0.939	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	15.8	-170.2	-66.7	175.7	-36.8	0	0	114.7
712	N	27.3	Very low	42.5	Very low	142 Å²	142	92 Å²	92	76%	0.759	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	-6.7	-157.9	-69.2	3	0	0	0	116.1	S710	S710-N712 PolarHBondContact O-N 2.85Å
713	D	34.4	Very low	40.7	Very low	127 Å²	127	92.4 Å²	92.4	68%	0.679	54%	0.537	S	S	*	.			trans	-96.5	106.9	179.4	-67.6	-23.5	0	0	0	110.8
714	A	32.9	Very low	39.2	Very low	94 Å²	94	95.6 Å²	95.6	78%	0.777	55%	0.553	S	S	*	*			trans	-66.7	152.6	179.1	0	0	0	0	0	113.3
715	E	28.3	Very low	38.9	Very low	201 Å²	201	99.1 Å²	99.1	94%	0.939	57%	0.569	S	S	*	*	S	Bend	trans	4.8	109.6	164	-57.8	-172	129.2	0	0	118.7
716	G	27.6	Very low	39.7	Very low	68 Å²	68	103 Å²	103	70%	0.701	59%	0.592	S	S	*	*	S	Bend	trans	155.8	119.6	161.2	0	0	0	0	0	115.1
717	D	30.2	Very low	41	Very low	146 Å²	146	103.6 Å²	103.6	78%	0.781	60%	0.597	S	S	*	*			trans	64.7	64.9	161	-147.9	27.5	0	0	0	117.7	G719	D717-G719 VanDerWaalsContact C-N 3.28Å; D717-G719 PolarHBondContact O-N 3.04Å; D717-G719 VanDerWaalsContact O-N 3.08Å
718	L	32.6	Very low	42.8	Very low	133 Å²	133	107.3 Å²	107.3	70%	0.696	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	45.6	-175.7	-140.6	92.4	0	0	0	114.1	Q436	Q436-L718 PolarHBondContact NE2-O 2.95Å; Q436-L718 VanDerWaalsContact NE2-O 3.09Å
719	G	29	Very low	45.2	Very low	71 Å²	71	101 Å²	101	73%	0.732	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.4	-10.5	-169.7	0	0	0	0	0	118.4	D717	D717-G719 VanDerWaalsContact C-N 3.28Å; D717-G719 PolarHBondContact O-N 3.04Å; D717-G719 VanDerWaalsContact O-N 3.08Å
720	G	30.6	Very low	47.9	Very low	68 Å²	68	96.7 Å²	96.7	70%	0.701	56%	0.561	S	S	*	*	S	Bend	trans	-153.1	15.2	-166.7	0	0	0	0	0	118.3
721	K	41.5	Very low	50.6	Low	114 Å²	114	93.2 Å²	93.2	50%	0.496	54%	0.535	S	S	.	.			trans	-121.9	36	-170.6	-73.6	179.5	166.9	-112.6	0	115.3	L723 D724	K721-L723 PolarHBondContact O-N 3.24Å; K721-D724 HydrophobicContact CB-CB 4.26Å; K721-D724 VanDerWaalsContact CD-OD2 3.26Å; K721-D724 WeakPolarHBondContact CD-OD2 3.3Å; K721-D724 WeakPolarHBondContact CE-OD2 3.38Å; K721-D724 WeakPolarHBondContact CG-OD2 3.41Å; K721-D724 IonicContact NZ-OD2 2.72Å; K721-D724 PolarHBondContact NZ-OD2 3.2Å
722	L	46	Very low	53.5	Low	96 Å²	96	83.9 Å²	83.9	50%	0.503	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.9	169.5	-159.3	132.5	0	0	0	112.1	L704	L704-L722 WeakPolarHBondContact O-CD2 3.46Å
723	L	47.9	Very low	56.4	Low	52 Å²	52	77.2 Å²	77.2	27%	0.272	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	2.1	179.6	-66	174.9	0	0	0	115	F657 R702 K721	F657-L723 HydrophobicContact CE2-CD1 3.84Å; F657-L723 HydrophobicContact CE2-CD2 4.49Å; F657-L723 HydrophobicContact CZ-CD1 4.02Å; F657-L723 HydrophobicContact CZ-CD2 3.91Å; R702-L723 WeakPolarHBondContact CD-O 3.48Å; R702-L723 PolarHBondContact NH1-O 3.48Å; K721-L723 PolarHBondContact O-N 3.24Å
724	D	51.6	Low	58.9	Low	76 Å²	76	72.3 Å²	72.3	41%	0.406	43%	0.43	S	S	.	.			trans	-90.4	-8.6	-165.8	-96.1	4.5	0	0	0	116.2	R702 K721 V726	R702-D724 IonicContact NH1-OD1 3.14Å; R702-D724 PolarHBondContact NH1-OD1 3.06Å; K721-D724 HydrophobicContact CB-CB 4.26Å; K721-D724 VanDerWaalsContact CD-OD2 3.26Å; K721-D724 WeakPolarHBondContact CD-OD2 3.3Å; K721-D724 WeakPolarHBondContact CE-OD2 3.38Å; K721-D724 WeakPolarHBondContact CG-OD2 3.41Å; K721-D724 IonicContact NZ-OD2 2.72Å; K721-D724 PolarHBondContact NZ-OD2 3.2Å; D724-V726 PolarHBondContact O-N 3.39Å
725	Q	65.6	Low	61.6	Low	103 Å²	103	68 Å²	68	48%	0.481	39%	0.394	S	S	.	.			trans	-88.2	106	175.7	-160	176.4	41.3	0	0	111.9	N706	N706-Q725 VanDerWaalsContact CB-OE1 3.3Å; N706-Q725 PolarHBondContact ND2-OE1 2.89Å
726	V	77.1	Confident	64.6	Low	84 Å²	84	58.7 Å²	58.7	51%	0.509	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	129.8	169.5	-177.8	0	0	0	0	109.3	I701 R702 D724	I701-V726 CarbonylContact O-C 3.57Å; I701-V726 WeakPolarHBondContact O-CA 3.19Å; I701-V726 WeakPolarHBondContact O-CG1 3.43Å; R702-V726 HydrophobicContact CG-CG2 4.5Å; D724-V726 PolarHBondContact O-N 3.39Å
727	V	82.9	Confident	67.7	Low	43 Å²	43	55.4 Å²	55.4	26%	0.261	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.3	178.4	-166.5	0	0	0	0	109	I701 F729	I701-V727 PolarHBondContact O-N 3.17Å; V727-F729 WeakPolarHBondContact CG1-O 3.25Å
728	K	84.3	Confident	70.6	Confident	107 Å²	107	48.5 Å²	48.5	47%	0.465	28%	0.28	S	S	.	.	S	Bend	trans	-74.8	-34.2	-177.2	-61.1	-179.6	-177.5	-179.6	0	113.1	S677 S678 V680	S677-K728 PolarHBondContact OG-O 3Å; S678-K728 PolarHBondContact N-O 2.82Å; S678-K728 VanDerWaalsContact N-O 3.15Å; S678-K728 PolarHBondContact OG-O 2.86Å; V680-K728 HydrophobicContact CB-CB 4.34Å; V680-K728 HydrophobicContact CB-CD 4.19Å; V680-K728 HydrophobicContact CB-CG 4.07Å; V680-K728 HydrophobicContact CG1-CD 3.79Å; V680-K728 HydrophobicContact CG1-CG 4.14Å; V680-K728 HydrophobicContact CG2-CG 4.4Å
729	F	86	Confident	73.4	Confident	17 Å²	17	42.8 Å²	42.8	8%	0.075	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	156.9	-174.4	-49	-64.2	0	0	0	109.9	L389 E392 L396 I676 S677 I682 V727 F731	L389-F729 HydrophobicContact CD2-CD1 3.95Å; L389-F729 HydrophobicContact CD2-CE1 4.3Å; E392-F729 HydrophobicContact CG-CE2 4.42Å; E392-F729 HydrophobicContact CG-CZ 4.37Å; L396-F729 HydrophobicContact CD1-CD2 4.43Å; I676-F729 CarbonylContact O-C 3.53Å; I676-F729 VanDerWaalsContact O-CA 3.27Å; I676-F729 WeakPolarHBondContact O-CA 3.1Å; S677-F729 WeakPolarHBondContact OG-CD1 3.44Å; S677-F729 VanDerWaalsContact OG-CE1 3.31Å; S677-F729 WeakPolarHBondContact OG-CE1 3.11Å; I682-F729 HydrophobicContact CB-CE1 4.14Å; I682-F729 HydrophobicContact CD1-CE1 3.77Å; I682-F729 HydrophobicContact CD1-CZ 4.08Å; I682-F729 HydrophobicContact CG1-CE1 4.1Å; I682-F729 HydrophobicContact CG1-CZ 4.36Å; V727-F729 WeakPolarHBondContact CG1-O 3.25Å; F729-F731 HydrophobicContact CB-CE1 4.33Å; F729-F731 HydrophobicContact CB-CE2 4.01Å; F729-F731 HydrophobicContact CB-CZ 3.72Å; F729-F731 HydrophobicContact CG-CZ 4.34Å
730	A	88.3	Confident	76.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.2	164.2	0	0	0	0	0	109.9	V671 A675 I676 I701 V736	V671-A730 HydrophobicContact CG2-CB 4.3Å; A675-A730 CarbonylContact C-O 3.56Å; A675-A730 VanDerWaalsContact CA-O 3.28Å; A675-A730 WeakPolarHBondContact CA-O 3.14Å; I676-A730 HydrophobicContact CG2-CB 3.95Å; I676-A730 PolarHBondContact N-O 2.85Å; I676-A730 PolarHBondContact O-N 2.92Å; I701-A730 HydrophobicContact CG2-CB 3.95Å; A730-V736 HydrophobicContact CB-CB 4.43Å; A730-V736 HydrophobicContact CB-CG1 3.75Å; A730-V736 HydrophobicContact CB-CG2 4.04Å
731	F	89.1	Confident	79	Confident	14 Å²	14	37.9 Å²	37.9	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	164.5	-171.2	-55.3	-74.5	0	0	0	111.5	Y393 L396 V645 V671 A675 F729 G733 D734	Y393-F731 HydrophobicContact CD2-CB 3.98Å; Y393-F731 AromaticContact CD2-CD1 3.55Å; Y393-F731 HydrophobicContact CD2-CD1 3.55Å; Y393-F731 AromaticContact CD2-CD2 3.95Å; Y393-F731 HydrophobicContact CD2-CD2 3.95Å; Y393-F731 AromaticContact CD2-CE1 3.97Å; Y393-F731 HydrophobicContact CD2-CE1 3.97Å; Y393-F731 HydrophobicContact CD2-CE2 4.31Å; Y393-F731 AromaticContact CD2-CG 3.55Å; Y393-F731 HydrophobicContact CD2-CG 3.55Å; Y393-F731 HydrophobicContact CD2-CZ 4.32Å; Y393-F731 HydrophobicContact CE2-CB 4.08Å; Y393-F731 HydrophobicContact CE2-CD1 4.47Å; Y393-F731 HydrophobicContact CE2-CG 4.13Å; Y393-F731 HydrophobicContact CG-CD1 4.18Å; Y393-F731 HydrophobicContact CG-CE1 4.31Å; L396-F731 HydrophobicContact CD1-CE2 3.74Å; L396-F731 HydrophobicContact CD1-CZ 3.85Å; V645-F731 HydrophobicContact CG1-CD1 4Å; V671-F731 WeakPolarHBondContact CB-O 3.48Å; A675-F731 HydrophobicContact CB-CD1 3.65Å; A675-F731 HydrophobicContact CB-CE1 4.09Å; F729-F731 HydrophobicContact CB-CE1 4.33Å; F729-F731 HydrophobicContact CB-CE2 4.01Å; F729-F731 HydrophobicContact CB-CZ 3.72Å; F729-F731 HydrophobicContact CG-CZ 4.34Å; F731-G733 PolarHBondContact O-N 3.19Å; F731-D734 PolarHBondContact N-OD2 2.85Å; F731-D734 WeakPolarHBondContact O-CB 2.97Å; F731-D734 VanDerWaalsContact O-CG 3.3Å; F731-D734 PolarHBondContact O-N 2.93Å; F731-D734 VanDerWaalsContact O-N 3.08Å
732	S	90.3	Very high	81	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.042	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	123.5	173.1	171.9	0	0	0	0	111.7	R643 T644 I672 G674	R643-S732 WeakPolarHBondContact CD-O 3.49Å; R643-S732 WeakPolarHBondContact CG-O 3.48Å; R643-S732 PolarHBondContact NE-O 2.93Å; T644-S732 PolarHBondContact N-OG 3.1Å; I672-S732 PolarHBondContact O-OG 3.45Å; G674-S732 PolarHBondContact O-N 2.77Å
733	G	87.5	Confident	82.8	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	112.2	-36	-176.6	0	0	0	0	0	114.2	N407 R670 V671 F731	N407-G733 PolarHBondContact ND2-O 2.91Å; R670-G733 PolarHBondContact NE-O 3.1Å; V671-G733 PolarHBondContact O-N 2.96Å; F731-G733 PolarHBondContact O-N 3.19Å
734	D	88.3	Confident	84.4	Confident	24 Å²	24	36.3 Å²	36.3	13%	0.128	19%	0.19	C	C	.	.			trans	-68.8	142.8	-167.3	-60.8	-19.6	0	0	0	112.6	I405 R670 V671 F731 V736	I405-D734 WeakPolarHBondContact CD1-OD1 3.38Å; R670-D734 WeakPolarHBondContact CA-O 3.31Å; V671-D734 PolarHBondContact N-O 2.81Å; F731-D734 PolarHBondContact N-OD2 2.85Å; F731-D734 WeakPolarHBondContact O-CB 2.97Å; F731-D734 VanDerWaalsContact O-CG 3.3Å; F731-D734 PolarHBondContact O-N 2.93Å; F731-D734 VanDerWaalsContact O-N 3.08Å; D734-V736 HydrophobicContact CB-CG1 3.98Å
735	Q	89.7	Confident	85.4	Confident	5 Å²	5	32.8 Å²	32.8	2%	0.023	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.4	170.1	-67.1	-175.3	-7	0	0	108.7	G669 L704	G669-Q735 WeakPolarHBondContact O-CA 3.12Å; L704-Q735 PolarHBondContact N-O 2.67Å; L704-Q735 VanDerWaalsContact N-O 3.09Å
736	V	91.3	Very high	85.8	Confident	4 Å²	4	34 Å²	34	2%	0.024	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.4	-172.4	-60.4	0	0	0	0	111.9	F651 G669 V671 I701 R702 L704 A730 D734 L738	F651-V736 HydrophobicContact CD2-CG2 4.42Å; F651-V736 HydrophobicContact CE2-CG2 3.74Å; G669-V736 PolarHBondContact N-O 2.74Å; G669-V736 PolarHBondContact O-N 2.8Å; V671-V736 HydrophobicContact CG2-CG2 4.08Å; I701-V736 HydrophobicContact CG2-CB 3.97Å; I701-V736 HydrophobicContact CG2-CG1 4.11Å; I701-V736 HydrophobicContact CG2-CG2 4.31Å; R702-V736 CarbonylContact O-C 3.59Å; R702-V736 VanDerWaalsContact O-CA 3.29Å; R702-V736 WeakPolarHBondContact O-CA 3.48Å; R702-V736 WeakPolarHBondContact O-CB 3.37Å; L704-V736 VanDerWaalsContact CD1-CA 3.47Å; A730-V736 HydrophobicContact CB-CB 4.43Å; A730-V736 HydrophobicContact CB-CG1 3.75Å; A730-V736 HydrophobicContact CB-CG2 4.04Å; D734-V736 HydrophobicContact CB-CG1 3.98Å; V736-L738 HydrophobicContact CG2-CD2 3.89Å; V736-L738 HydrophobicContact CG2-CG 4.34Å
737	A	91.7	Very high	85.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.4	171	0	0	0	0	0	109.7	F657 M666 V667 A668 R702 L704	F657-A737 HydrophobicContact CZ-CB 4.19Å; M666-A737 HydrophobicContact CE-CB 3.31Å; V667-A737 CarbonylContact O-C 3.6Å; V667-A737 WeakPolarHBondContact O-CA 3.35Å; A668-A737 HydrophobicContact CB-CB 4.26Å; R702-A737 PolarHBondContact N-O 2.83Å; R702-A737 PolarHBondContact O-N 3.43Å; L704-A737 HydrophobicContact CD1-CB 3.89Å; L704-A737 VanDerWaalsContact CD1-N 3.29Å
738	L	91.7	Very high	85.7	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.9	-177.9	-55.9	178.7	0	0	0	109.3	F651 M666 V667 I676 V698 I701 V736 L740 L755	F651-L738 HydrophobicContact CD1-CD1 4.11Å; F651-L738 HydrophobicContact CD2-CD1 4.06Å; F651-L738 HydrophobicContact CE1-CD1 3.94Å; F651-L738 HydrophobicContact CE2-CD1 3.91Å; F651-L738 HydrophobicContact CE2-CG 4.14Å; F651-L738 HydrophobicContact CG-CD1 4.15Å; F651-L738 HydrophobicContact CZ-CD1 3.81Å; F651-L738 HydrophobicContact CZ-CG 3.99Å; M666-L738 WeakPolarHBondContact CA-O 3.36Å; V667-L738 PolarHBondContact N-O 3Å; V667-L738 PolarHBondContact O-N 2.94Å; I676-L738 HydrophobicContact CD1-CD1 4.4Å; I676-L738 HydrophobicContact CG2-CD2 4.45Å; V698-L738 HydrophobicContact CG1-CD2 4.18Å; I701-L738 HydrophobicContact CB-CD2 4.35Å; I701-L738 HydrophobicContact CG1-CD2 3.81Å; I701-L738 HydrophobicContact CG2-CD2 4.11Å; V736-L738 HydrophobicContact CG2-CD2 3.89Å; V736-L738 HydrophobicContact CG2-CG 4.34Å; L738-L740 HydrophobicContact CB-CD2 3.99Å; L738-L740 PolarHBondContact O-N 2.81Å; L738-L755 HydrophobicContact CD1-CD1 3.95Å
739	M	90.8	Very high	85.7	Confident	13 Å²	13	32.5 Å²	32.5	6%	0.064	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	106.9	168.3	-175.1	174.6	-72.7	0	0	108.5	V664 M666 K699 S700	V664-M739 HydrophobicContact CB-CG 4.08Å; V664-M739 HydrophobicContact CB-SD 4.05Å; V664-M739 HydrophobicContact CG1-CG 3.44Å; V664-M739 VanDerWaalsContact CG1-CG 3.44Å; V664-M739 HydrophobicContact CG1-SD 3.99Å; M666-M739 HydrophobicContact CG-CB 4.2Å; M666-M739 HydrophobicContact CG-CE 4.02Å; M666-M739 HydrophobicContact SD-CE 4Å; K699-M739 HydrophobicContact CB-CG 4.33Å; K699-M739 HydrophobicContact CD-SD 4.03Å; K699-M739 HydrophobicContact CG-SD 4.45Å; K699-M739 PolarHBondContact N-O 3.48Å; S700-M739 PolarHBondContact O-N 2.93Å; S700-M739 VanDerWaalsContact OG-CB 3.26Å; S700-M739 WeakPolarHBondContact OG-CB 3.38Å
740	L	89.5	Confident	85.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.3	-179.1	-55.1	-174.9	0	0	0	110.8	V664 V667 V687 V698 L738 L749 L755	V664-L740 WeakPolarHBondContact CG1-O 3.49Å; V667-L740 HydrophobicContact CB-CD1 4.45Å; V667-L740 HydrophobicContact CG2-CD1 3.79Å; V667-L740 HydrophobicContact CG2-CG 4.16Å; V687-L740 HydrophobicContact CG2-CD2 4.36Å; V698-L740 HydrophobicContact CG2-CD2 3.79Å; L738-L740 HydrophobicContact CB-CD2 3.99Å; L738-L740 PolarHBondContact O-N 2.81Å; L740-L749 HydrophobicContact CD1-CD1 4.21Å; L740-L755 HydrophobicContact CD1-CD1 4.06Å; L740-L755 HydrophobicContact CD2-CD1 4.45Å
741	T	87.6	Confident	85.9	Confident	37 Å²	37	38.7 Å²	38.7	23%	0.227	20%	0.2	C	C	.	.	S	Bend	trans	-93.6	161.7	167.3	59	0	0	0	0	111.4	T696 C697 K699 I743	T696-T741 VanDerWaalsContact CB-O 3.31Å; T696-T741 WeakPolarHBondContact CB-O 3.28Å; T696-T741 WeakPolarHBondContact CG2-O 3.37Å; C697-T741 PolarHBondContact O-N 3.36Å; C697-T741 PolarHBondContact O-OG1 3.16Å; K699-T741 HydrophobicContact CB-CG2 3.92Å; K699-T741 HydrophobicContact CD-CG2 4.17Å; T741-I743 VanDerWaalsContact C-N 3.27Å; T741-I743 PolarHBondContact O-N 2.76Å
742	D	83.7	Confident	85.9	Confident	133 Å²	133	38.1 Å²	38.1	71%	0.711	20%	0.198	S	C	*	.	S	Bend	trans	65.3	23.4	167.8	-40.7	-50.7	0	0	0	115.2
743	I	83.1	Confident	86	Confident	22 Å²	22	38.7 Å²	38.7	11%	0.113	20%	0.2	C	C	.	.			trans	-135.8	145.2	175.4	-97.1	-174.1	0	0	0	112.2	C689 V694 T696 T741 P745 T748	C689-I743 HydrophobicContact CB-CD1 4.16Å; C689-I743 WeakPolarHBondContact SG-CD1 3.37Å; V694-I743 HydrophobicContact CB-CD1 3.9Å; V694-I743 HydrophobicContact CB-CG1 4.33Å; V694-I743 HydrophobicContact CG1-CD1 3.66Å; V694-I743 HydrophobicContact CG1-CG1 3.57Å; T696-I743 HydrophobicContact CG2-CB 3.86Å; T696-I743 HydrophobicContact CG2-CD1 3.27Å; T696-I743 HydrophobicContact CG2-CG1 3.38Å; T741-I743 VanDerWaalsContact C-N 3.27Å; T741-I743 PolarHBondContact O-N 2.76Å; I743-P745 HydrophobicContact CG2-CB 4.04Å; I743-T748 HydrophobicContact CG1-CG2 4.45Å; I743-T748 WeakPolarHBondContact CG2-OG1 3.11Å
744	D	82.5	Confident	86.2	Confident	73 Å²	73	38.7 Å²	38.7	39%	0.39	20%	0.2	S	C	.	.			trans	-100.5	103.2	157.5	179.6	11.7	0	0	0	108.9	F746 Q747 T748	D744-F746 VanDerWaalsContact C-N 3.28Å; D744-F746 PolarHBondContact O-N 2.92Å; D744-Q747 PolarHBondContact O-N 3.12Å; D744-Q747 PolarHBondContact OD2-NE2 2.77Å; D744-T748 PolarHBondContact O-N 2.85Å; D744-T748 PolarHBondContact O-OG1 2.9Å; D744-T748 VanDerWaalsContact O-OG1 3.14Å
745	P	72.2	Confident	86.5	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-73.6	-25.9	-161.6	39.2	-43.3	0	0	0	111.5	I656 P665 I743 Q747 T748 L749	I656-P745 HydrophobicContact CG2-CB 3.57Å; I656-P745 HydrophobicContact CG2-CG 3.57Å; P665-P745 HydrophobicContact CB-CB 4.15Å; P665-P745 HydrophobicContact CB-CG 3.38Å; P665-P745 HydrophobicContact CG-CG 4.06Å; I743-P745 HydrophobicContact CG2-CB 4.04Å; P745-Q747 PolarHBondContact O-N 2.86Å; P745-T748 PolarHBondContact O-N 3.09Å; P745-L749 HydrophobicContact CB-CD1 4.48Å; P745-L749 WeakPolarHBondContact O-CA 3.21Å; P745-L749 PolarHBondContact O-N 2.91Å
746	F	74.5	Confident	86.7	Confident	127 Å²	127	37.4 Å²	37.4	56%	0.557	19%	0.193	S	C	*	.	H	α-helix	trans	-72.3	-12.8	-176.5	-59.7	-72.3	0	0	0	112	I656 K658 D744	I656-F746 HydrophobicContact CG2-CD1 4.21Å; I656-F746 HydrophobicContact CG2-CE1 3.91Å; I656-F746 HydrophobicContact CG2-CZ 4.27Å; K658-F746 HydrophobicContact CB-CZ 4.48Å; D744-F746 VanDerWaalsContact C-N 3.28Å; D744-F746 PolarHBondContact O-N 2.92Å
747	Q	77.2	Confident	86.6	Confident	166 Å²	166	37.6 Å²	37.6	78%	0.776	19%	0.194	S	C	*	.	H	α-helix	trans	-105.9	-34.2	172.3	-59.2	-172.8	42.7	0	0	112.2	D744 P745	D744-Q747 PolarHBondContact O-N 3.12Å; D744-Q747 PolarHBondContact OD2-NE2 2.77Å; P745-Q747 PolarHBondContact O-N 2.86Å
748	T	79.5	Confident	86.5	Confident	31 Å²	31	39.4 Å²	39.4	19%	0.19	21%	0.206	C	C	.	.	H	α-helix	trans	-97.9	-20.3	-171.3	63.7	0	0	0	0	115.6	S692 V694 I743 D744 P745	S692-T748 WeakPolarHBondContact CB-O 3.21Å; S692-T748 PolarHBondContact OG-O 3.28Å; V694-T748 HydrophobicContact CG2-CG2 4.45Å; I743-T748 HydrophobicContact CG1-CG2 4.45Å; I743-T748 WeakPolarHBondContact CG2-OG1 3.11Å; D744-T748 PolarHBondContact O-N 2.85Å; D744-T748 PolarHBondContact O-OG1 2.9Å; D744-T748 VanDerWaalsContact O-OG1 3.14Å; P745-T748 PolarHBondContact O-N 3.09Å
749	L	85.9	Confident	86.2	Confident	6 Å²	6	42.3 Å²	42.3	3%	0.031	22%	0.222	C	C	.	.			trans	-132.7	142.2	-171	-75.7	171.7	0	0	0	111.2	I656 V667 C689 L740 P745 D753 L755	I656-L749 HydrophobicContact CD1-CB 3.62Å; I656-L749 VanDerWaalsContact CD1-O 3.26Å; I656-L749 WeakPolarHBondContact CD1-O 3.29Å; V667-L749 HydrophobicContact CG2-CD1 4.02Å; C689-L749 HydrophobicContact CB-CD2 3.88Å; L740-L749 HydrophobicContact CD1-CD1 4.21Å; P745-L749 HydrophobicContact CB-CD1 4.48Å; P745-L749 WeakPolarHBondContact O-CA 3.21Å; P745-L749 PolarHBondContact O-N 2.91Å; L749-D753 WeakPolarHBondContact CA-OD2 3.09Å; L749-D753 HydrophobicContact CD2-CB 3.99Å; L749-L755 HydrophobicContact CD1-CD2 4.44Å; L749-L755 HydrophobicContact CD2-CD2 4.15Å
750	I	88.9	Confident	86	Confident	97 Å²	97	45.4 Å²	45.4	50%	0.497	24%	0.238	S	C	.	.			trans	-126.6	145.1	175.5	-56.1	178.8	0	0	0	107.9	G752 D753	I750-G752 PolarHBondContact O-N 2.77Å; I750-D753 PolarHBondContact N-OD2 3.11Å; I750-D753 VanDerWaalsContact O-CB 3.24Å; I750-D753 WeakPolarHBondContact O-CB 3.41Å; I750-D753 VanDerWaalsContact O-CG 3.31Å; I750-D753 PolarHBondContact O-N 2.89Å
751	P	88.8	Confident	85.9	Confident	50 Å²	50	48.4 Å²	48.4	33%	0.325	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	130	165.9	-31.9	38.3	0	0	0	112	A794	P751-A794 WeakPolarHBondContact O-CB 3.22Å
752	G	88.3	Confident	86.1	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.021	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	-12.1	-173.2	0	0	0	0	0	116.1	V653 I750	V653-G752 PolarHBondContact O-N 3.36Å; I750-G752 PolarHBondContact O-N 2.77Å
753	D	92.2	Very high	86.3	Confident	18 Å²	18	48 Å²	48	10%	0.096	25%	0.249	C	C	.	.			trans	-65.1	162.9	170.6	-74.6	-15.7	0	0	0	112.1	V653 L690 P691 L749 I750	V653-D753 PolarHBondContact N-O 3.13Å; L690-D753 WeakPolarHBondContact O-CB 3.41Å; P691-D753 WeakPolarHBondContact CD-OD1 3.12Å; L749-D753 WeakPolarHBondContact CA-OD2 3.09Å; L749-D753 HydrophobicContact CD2-CB 3.99Å; I750-D753 PolarHBondContact N-OD2 3.11Å; I750-D753 VanDerWaalsContact O-CB 3.24Å; I750-D753 WeakPolarHBondContact O-CB 3.41Å; I750-D753 VanDerWaalsContact O-CG 3.31Å; I750-D753 PolarHBondContact O-N 2.89Å
754	L	93.6	Very high	86.7	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.8	-175	-60.3	-176	0	0	0	111.7	F651 V652 L690 T756 I762 C840 L850	F651-L754 WeakPolarHBondContact O-CA 3.34Å; V652-L754 HydrophobicContact CB-CD2 4.37Å; V652-L754 HydrophobicContact CG2-CD2 3.41Å; V652-L754 VanDerWaalsContact CG2-CD2 3.41Å; L690-L754 PolarHBondContact N-O 3.11Å; L690-L754 PolarHBondContact O-N 3.32Å; L754-T756 HydrophobicContact CB-CG2 4.45Å; L754-I762 HydrophobicContact CD1-CD1 3.56Å; L754-C840 HydrophobicContact CD1-CB 3.81Å; L754-C840 WeakPolarHBondContact CD1-O 3.31Å; L754-C840 HydrophobicContact CG-CB 4.26Å; L754-L850 HydrophobicContact CD1-CD1 4.01Å; L754-L850 HydrophobicContact CD1-CD2 4.19Å; L754-L850 HydrophobicContact CD2-CD2 3.81Å
755	L	93.7	Very high	87.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.1	162	-48.5	-177.5	0	0	0	108.5	F649 F651 V653 I688 C689 L738 L740 L749	F649-L755 HydrophobicContact CE1-CB 4.33Å; F651-L755 HydrophobicContact CB-CB 4.23Å; F651-L755 HydrophobicContact CD1-CB 4.17Å; F651-L755 HydrophobicContact CD1-CD1 3.64Å; F651-L755 HydrophobicContact CD1-CG 3.85Å; F651-L755 HydrophobicContact CE1-CD1 3.93Å; F651-L755 HydrophobicContact CE1-CG 4.48Å; F651-L755 PolarHBondContact N-O 3.16Å; F651-L755 PolarHBondContact O-N 2.85Å; V653-L755 HydrophobicContact CG2-CD2 4.5Å; V653-L755 HydrophobicContact CG2-CG 4.25Å; I688-L755 WeakPolarHBondContact O-CA 3.48Å; C689-L755 HydrophobicContact CB-CD2 4.01Å; C689-L755 WeakPolarHBondContact SG-CD2 3.37Å; L738-L755 HydrophobicContact CD1-CD1 3.95Å; L740-L755 HydrophobicContact CD1-CD1 4.06Å; L740-L755 HydrophobicContact CD2-CD1 4.45Å; L749-L755 HydrophobicContact CD1-CD2 4.44Å; L749-L755 HydrophobicContact CD2-CD2 4.15Å
756	T	93.2	Very high	88.1	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	168	-178.9	59.6	0	0	0	0	112.1	F649 V687 I688 L690 L754 I762	F649-T756 WeakPolarHBondContact O-CA 3.42Å; V687-T756 CarbonylContact C-O 3.58Å; V687-T756 WeakPolarHBondContact CA-O 3.3Å; I688-T756 WeakPolarHBondContact CG2-OG1 3.29Å; I688-T756 PolarHBondContact N-O 2.8Å; I688-T756 PolarHBondContact O-N 3.24Å; L690-T756 HydrophobicContact CD1-CG2 3.97Å; L690-T756 WeakPolarHBondContact CD1-OG1 3.24Å; L754-T756 HydrophobicContact CB-CG2 4.45Å; T756-I762 HydrophobicContact CG2-CD1 3.73Å; T756-I762 HydrophobicContact CG2-CG1 4.04Å
757	D	90.5	Very high	89	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.048	25%	0.246	C	C	.	.			trans	-64.1	139.5	166.9	-74.5	-40.7	0	0	0	110.8	R386 F649 D759 N760	R386-D757 IonicContact CZ-OD2 2.82Å; R386-D757 VanDerWaalsContact CZ-OD2 3.29Å; R386-D757 IonicContact NE-OD2 3.8Å; R386-D757 PolarHBondContact NE-OD2 3.31Å; R386-D757 VanDerWaalsContact NH2-CG 3.35Å; R386-D757 IonicContact NH2-OD2 3.84Å; R386-D757 PolarHBondContact NH2-OD2 3.39Å; F649-D757 HydrophobicContact CB-CB 4.47Å; F649-D757 VanDerWaalsContact CB-CG 3.41Å; F649-D757 WeakPolarHBondContact CB-OD1 3.49Å; F649-D757 WeakPolarHBondContact CB-OD2 3.45Å; F649-D757 PolarHBondContact N-OD2 2.91Å; F649-D757 PolarHBondContact O-N 2.97Å; D757-D759 PolarHBondContact O-N 2.83Å; D757-N760 CarbonylContact O-C 3.59Å; D757-N760 PolarHBondContact O-N 3.16Å
758	P	88.9	Confident	89.9	Confident	37 Å²	37	36.8 Å²	36.8	24%	0.24	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.6	175.9	28.8	-36.6	0	0	0	113.2	I384 K686 N760	I384-P758 HydrophobicContact CD1-CG 4.13Å; K686-P758 VanDerWaalsContact O-CD 3.22Å; K686-P758 WeakPolarHBondContact O-CD 3.18Å; P758-N760 VanDerWaalsContact C-N 3.34Å
759	D	86.4	Confident	90.7	Very high	62 Å²	62	35.8 Å²	35.8	33%	0.332	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.6	178.6	-62.4	-18.4	0	0	0	112.8	I384 D757	I384-D759 PolarHBondContact N-OD2 2.96Å; D757-D759 PolarHBondContact O-N 2.83Å
760	N	85.5	Confident	91.2	Very high	78 Å²	78	35.5 Å²	35.5	42%	0.417	20%	0.201	S	C	.	.	S	Bend	trans	-146.2	67.3	-177.6	-173.5	33.5	0	0	0	111.7	P648 D757 P758	P648-N760 HydrophobicContact CB-CB 4.4Å; P648-N760 WeakPolarHBondContact CG-ND2 3.45Å; D757-N760 CarbonylContact O-C 3.59Å; D757-N760 PolarHBondContact O-N 3.16Å; P758-N760 VanDerWaalsContact C-N 3.34Å
761	P	88	Confident	91.5	Very high	62 Å²	62	34.1 Å²	34.1	40%	0.403	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-70.8	144.1	179.7	30.1	-35.2	0	0	0	111.8	I688 L690	I688-P761 HydrophobicContact CG2-CB 4.31Å; L690-P761 HydrophobicContact CD1-CB 4.19Å
762	I	91.4	Very high	91.7	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.056	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-79.7	123.5	174.6	-66	167.8	0	0	0	109.2	R650 L690 L754 T756 C840 E842 L850	R650-I762 HydrophobicContact CG-CD1 4.48Å; L690-I762 HydrophobicContact CD1-CB 4.02Å; L690-I762 VanDerWaalsContact CD1-N 3.32Å; L690-I762 WeakPolarHBondContact CD1-O 3.23Å; L754-I762 HydrophobicContact CD1-CD1 3.56Å; T756-I762 HydrophobicContact CG2-CD1 3.73Å; T756-I762 HydrophobicContact CG2-CG1 4.04Å; I762-C840 HydrophobicContact CG2-CB 4.05Å; I762-E842 HydrophobicContact CD1-CG 4Å; I762-E842 WeakPolarHBondContact CD1-OE1 3.41Å; I762-E842 HydrophobicContact CG1-CG 4.1Å; I762-E842 WeakPolarHBondContact CG1-OE1 3.49Å; I762-E842 HydrophobicContact CG2-CG 4.33Å; I762-L850 HydrophobicContact CD1-CD1 3.93Å
763	Q	88	Confident	92	Very high	152 Å²	152	32 Å²	32	71%	0.71	18%	0.177	S	C	*	.	P	Polyproline II helix	trans	-68.2	125.7	178.5	-69.4	-176.5	-24.5	0	0	111.2
764	P	91.3	Very high	92	Very high	71 Å²	71	31.1 Å²	31.1	46%	0.461	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138.8	174	27.7	-33.5	0	0	0	110.3	P691 P838	P691-P764 HydrophobicContact CB-CB 4.38Å; P764-P838 HydrophobicContact CB-CB 4.32Å
765	S	90.8	Very high	91.8	Very high	7 Å²	7	31.4 Å²	31.4	5%	0.049	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	143.8	-176.5	71.3	0	0	0	0	112.4	I839	S765-I839 PolarHBondContact N-O 3.34Å; S765-I839 PolarHBondContact O-N 3.04Å
766	T	92.8	Very high	91.3	Very high	44 Å²	44	35.2 Å²	35.2	27%	0.27	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-14.3	174.3	51.6	0	0	0	0	112.7	T834 F835 P838	T766-T834 CarbonylContact O-C 3.46Å; T766-T834 VanDerWaalsContact O-CA 3.32Å; T766-T834 WeakPolarHBondContact O-CA 3.49Å; T766-F835 PolarHBondContact O-N 3.41Å; T766-P838 HydrophobicContact CG2-CB 4Å
767	C	94.7	Very high	90.9	Very high	33 Å²	33	36.7 Å²	36.7	22%	0.223	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	131.6	-179	-73.1	0	0	0	0	110.5	L833 T834 I871	C767-L833 WeakPolarHBondContact CA-O 3.2Å; C767-T834 PolarHBondContact SG-OG1 3.36Å; C767-I871 HydrophobicContact CB-CB 3.97Å; C767-I871 HydrophobicContact CB-CG2 4.34Å; C767-I871 WeakPolarHBondContact O-CB 3.39Å; C767-I871 PolarHBondContact O-N 2.9Å
768	I	95.5	Very high	90.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.9	173.8	62.3	164.6	0	0	0	111.6	A770 Y789 E832 L833 F835 V867	I768-A770 HydrophobicContact CD1-CB 4.46Å; I768-Y789 HydrophobicContact CD1-CE2 4.22Å; I768-E832 CarbonylContact O-C 3.5Å; I768-E832 VanDerWaalsContact O-CA 3.25Å; I768-E832 WeakPolarHBondContact O-CA 3.35Å; I768-L833 HydrophobicContact CD1-CD1 4.26Å; I768-L833 HydrophobicContact CG1-CB 4Å; I768-L833 HydrophobicContact CG1-CD1 4.47Å; I768-L833 PolarHBondContact N-O 3.23Å; I768-L833 PolarHBondContact O-N 3.49Å; I768-F835 HydrophobicContact CB-CE2 4.5Å; I768-F835 HydrophobicContact CD1-CE2 4.14Å; I768-F835 HydrophobicContact CD1-CZ 3.66Å; I768-F835 HydrophobicContact CG1-CE2 3.84Å; I768-F835 HydrophobicContact CG1-CZ 3.7Å; I768-F835 HydrophobicContact CG2-CE2 4.02Å; I768-V867 HydrophobicContact CD1-CG1 4.38Å; I768-V867 HydrophobicContact CD1-CG2 3.98Å
769	S	95.9	Very high	90.6	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	134.5	163	-166.9	0	0	0	0	108.7	K804 V831 T868 K869	S769-K804 PolarHBondContact OG-NZ 2.82Å; S769-V831 WeakPolarHBondContact CA-O 3.36Å; S769-T868 PolarHBondContact O-N 3.06Å; S769-T868 PolarHBondContact O-OG1 3.22Å; S769-T868 VanDerWaalsContact O-OG1 3.1Å; S769-K869 PolarHBondContact N-O 2.99Å; S769-K869 PolarHBondContact O-N 3.33Å; S769-K869 VanDerWaalsContact O-N 3.1Å
770	A	96.1	Very high	90.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	152.8	-177	0	0	0	0	0	112.4	I768 N830 V831 F853 T866	I768-A770 HydrophobicContact CD1-CB 4.46Å; A770-N830 WeakPolarHBondContact O-CA 3.27Å; A770-V831 PolarHBondContact N-O 3.41Å; A770-V831 PolarHBondContact O-N 2.71Å; A770-F853 HydrophobicContact CB-CE1 3.62Å; A770-F853 HydrophobicContact CB-CZ 3.49Å; A770-F853 VanDerWaalsContact CB-CZ 3.49Å; A770-T866 CarbonylContact C-O 3.55Å; A770-T866 VanDerWaalsContact CA-O 3.22Å; A770-T866 WeakPolarHBondContact CA-O 3.45Å; A770-T866 VanDerWaalsContact CB-O 3.3Å; A770-T866 WeakPolarHBondContact CB-O 3.48Å
771	K	94.9	Very high	91.3	Very high	69 Å²	69	45.4 Å²	45.4	30%	0.3	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.6	166.6	-178	-175.6	175.4	-170.3	0	107.4	E67 A829 G865 T866 T868	E67-K771 PolarHBondContact O-NZ 2.81Å; K771-A829 CarbonylContact C-O 3.56Å; K771-G865 CarbonylContact O-C 3.57Å; K771-G865 WeakPolarHBondContact O-CA 3.46Å; K771-T866 PolarHBondContact N-O 3.18Å; K771-T866 PolarHBondContact O-N 2.76Å; K771-T868 HydrophobicContact CB-CG2 4.07Å
772	L	94.6	Very high	91.6	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.7	174.2	-61.6	-173.3	0	0	0	111.1	V774 T828 A829 V831 F853 L855 A863 G864	L772-V774 HydrophobicContact CB-CG2 4.43Å; L772-T828 CarbonylContact O-C 3.58Å; L772-T828 VanDerWaalsContact O-CA 3.25Å; L772-T828 WeakPolarHBondContact O-CA 3.45Å; L772-A829 PolarHBondContact N-O 3Å; L772-A829 PolarHBondContact O-N 3.13Å; L772-V831 HydrophobicContact CD1-CB 4.47Å; L772-V831 HydrophobicContact CD1-CG1 3.97Å; L772-V831 HydrophobicContact CD1-CG2 3.65Å; L772-V831 HydrophobicContact CD2-CG2 4.44Å; L772-V831 HydrophobicContact CG-CG1 4.4Å; L772-V831 HydrophobicContact CG-CG2 3.77Å; L772-F853 HydrophobicContact CD2-CE2 3.53Å; L772-F853 HydrophobicContact CD2-CZ 3.52Å; L772-L855 HydrophobicContact CD1-CD1 3.83Å; L772-L855 HydrophobicContact CD2-CD1 3.92Å; L772-A863 HydrophobicContact CB-CB 4.46Å; L772-A863 HydrophobicContact CD1-CB 4.47Å; L772-G864 CarbonylContact C-O 3.55Å; L772-G864 WeakPolarHBondContact CA-O 3.35Å
773	L	93.1	Very high	91.8	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	105	161.2	-176.6	68.9	0	0	0	107.8	F64 D68 F69 L540 F775 T828 A863 G864	F64-L773 HydrophobicContact CD1-CD1 3.66Å; F64-L773 HydrophobicContact CE1-CD1 3.58Å; F64-L773 HydrophobicContact CE1-CG 4.32Å; F64-L773 HydrophobicContact CZ-CD1 4.46Å; D68-L773 HydrophobicContact CB-CD1 3.95Å; F69-L773 HydrophobicContact CD1-CD2 3.99Å; F69-L773 HydrophobicContact CE1-CD2 3.74Å; F69-L773 HydrophobicContact CZ-CD2 4.05Å; L540-L773 HydrophobicContact CD2-CD2 4.03Å; L773-F775 HydrophobicContact CD2-CE1 4.47Å; L773-F775 HydrophobicContact CG-CE1 4.44Å; L773-F775 WeakPolarHBondContact O-CD1 3.42Å; L773-F775 WeakPolarHBondContact O-CE1 3.22Å; L773-T828 HydrophobicContact CD1-CG2 3.45Å; L773-T828 VanDerWaalsContact CD1-CG2 3.45Å; L773-A863 WeakPolarHBondContact O-CA 3.42Å; L773-A863 WeakPolarHBondContact O-CB 3.18Å; L773-G864 PolarHBondContact N-O 3.28Å; L773-G864 PolarHBondContact O-N 3.07Å; L773-G864 VanDerWaalsContact O-N 3.16Å
774	V	92.8	Very high	92	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.2	-177	-174.3	0	0	0	0	110	L772 I777 I781 L823 N826 C827	L772-V774 HydrophobicContact CB-CG2 4.43Å; V774-I777 HydrophobicContact CG1-CD1 3.62Å; V774-I777 HydrophobicContact CG1-CG1 4.33Å; V774-I781 HydrophobicContact CG1-CD1 3.81Å; V774-I781 HydrophobicContact CG2-CD1 4.06Å; V774-L823 HydrophobicContact CG2-CB 4.4Å; V774-L823 HydrophobicContact CG2-CD1 4Å; V774-N826 VanDerWaalsContact O-CA 3.22Å; V774-N826 WeakPolarHBondContact O-CA 3.24Å; V774-N826 PolarHBondContact O-N 3.45Å; V774-N826 VanDerWaalsContact O-N 3.09Å; V774-C827 WeakPolarHBondContact CB-O 3.24Å; V774-C827 PolarHBondContact N-O 3.46Å
775	F	89	Confident	92.2	Very high	7 Å²	7	45.2 Å²	45.2	3%	0.031	25%	0.247	C	C	.	.			trans	-89.1	177.9	-176.4	-57.3	-9.2	0	0	0	111.7	R536 L540 L773 I777 G825 N826 M854 S861 I862 G864	R536-F775 HydrophobicContact CG-CE2 4.46Å; R536-F775 HydrophobicContact CG-CZ 4.32Å; R536-F775 VanDerWaalsContact NE-CD1 3.3Å; L540-F775 HydrophobicContact CD1-CE1 3.8Å; L540-F775 HydrophobicContact CD1-CE2 4.34Å; L540-F775 HydrophobicContact CD1-CZ 3.3Å; L773-F775 HydrophobicContact CD2-CE1 4.47Å; L773-F775 HydrophobicContact CG-CE1 4.44Å; L773-F775 WeakPolarHBondContact O-CD1 3.42Å; L773-F775 WeakPolarHBondContact O-CE1 3.22Å; F775-I777 VanDerWaalsContact C-N 3.29Å; F775-I777 HydrophobicContact CB-CG2 4.47Å; F775-I777 PolarHBondContact O-N 2.74Å; F775-G825 WeakPolarHBondContact O-CA 3.3Å; F775-N826 PolarHBondContact O-N 3.29Å; F775-M854 HydrophobicContact CE2-CE 3.9Å; F775-M854 HydrophobicContact CZ-CE 3.87Å; F775-S861 VanDerWaalsContact CD2-O 3.28Å; F775-S861 WeakPolarHBondContact CD2-O 3.03Å; F775-I862 WeakPolarHBondContact CB-O 3.29Å; F775-I862 WeakPolarHBondContact CG-O 3.25Å; F775-I862 PolarHBondContact N-O 2.9Å; F775-G864 VanDerWaalsContact CZ-N 3.31Å
776	S	84.8	Confident	92.4	Very high	80 Å²	80	48.9 Å²	48.9	56%	0.559	27%	0.27	S	S	*	.			trans	-69	86.6	169.5	52.4	0	0	0	0	110	N826	S776-N826 PolarHBondContact N-OD1 3.28Å
777	I	83	Confident	92.6	Very high	32 Å²	32	47 Å²	47	16%	0.164	26%	0.259	C	S	.	.			trans	-100.8	144.6	-179.6	57.5	-175.7	0	0	0	110.7	V774 F775 Q779 I781 I862	V774-I777 HydrophobicContact CG1-CD1 3.62Å; V774-I777 HydrophobicContact CG1-CG1 4.33Å; F775-I777 VanDerWaalsContact C-N 3.29Å; F775-I777 HydrophobicContact CB-CG2 4.47Å; F775-I777 PolarHBondContact O-N 2.74Å; I777-Q779 WeakPolarHBondContact CD1-O 3.34Å; I777-Q779 VanDerWaalsContact CG1-O 3.29Å; I777-Q779 WeakPolarHBondContact CG1-O 3.19Å; I777-I781 HydrophobicContact CD1-CD1 3.97Å; I777-I781 HydrophobicContact CD1-CG1 3.63Å; I777-I862 HydrophobicContact CD1-CG2 4.27Å; I777-I862 HydrophobicContact CG2-CB 4.22Å; I777-I862 HydrophobicContact CG2-CG1 4.03Å; I777-I862 HydrophobicContact CG2-CG2 4.2Å
778	Q	84.2	Confident	92.6	Very high	181 Å²	181	48.7 Å²	48.7	85%	0.846	27%	0.265	S	S	*	.	S	Bend	trans	-71.2	-37.9	177.5	-60.7	-179	4.8	0	0	112
779	Q	88.9	Confident	92.6	Very high	126 Å²	126	48.7 Å²	48.7	59%	0.589	27%	0.265	S	S	*	.	S	Bend	trans	-102.6	128.5	-179.8	-63.6	-178.4	-2.2	0	0	110.5	I777	I777-Q779 WeakPolarHBondContact CD1-O 3.34Å; I777-Q779 VanDerWaalsContact CG1-O 3.29Å; I777-Q779 WeakPolarHBondContact CG1-O 3.19Å
780	P	92.3	Very high	92.6	Very high	62 Å²	62	49.3 Å²	49.3	40%	0.403	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-73.2	141.2	178.8	30.5	-35	0	0	0	111.7	T782 C822 L823 L824	P780-T782 PolarHBondContact O-N 2.93Å; P780-C822 HydrophobicContact CB-CB 4.31Å; P780-L823 WeakPolarHBondContact CA-O 3.41Å; P780-L824 HydrophobicContact CB-CD2 4.26Å
781	I	94.3	Very high	92.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.7	180	-58	168.4	0	0	0	109.5	V774 I777 Y785 I800 C822 L823 I862	V774-I781 HydrophobicContact CG1-CD1 3.81Å; V774-I781 HydrophobicContact CG2-CD1 4.06Å; I777-I781 HydrophobicContact CD1-CD1 3.97Å; I777-I781 HydrophobicContact CD1-CG1 3.63Å; I781-Y785 HydrophobicContact CG1-CD1 4.5Å; I781-Y785 HydrophobicContact CG2-CD1 4.13Å; I781-Y785 HydrophobicContact CG2-CG 4.26Å; I781-I800 HydrophobicContact CG2-CD1 3.47Å; I781-I800 VanDerWaalsContact CG2-CD1 3.47Å; I781-C822 CarbonylContact O-C 3.46Å; I781-C822 WeakPolarHBondContact O-CA 3.44Å; I781-C822 WeakPolarHBondContact O-CB 3.32Å; I781-L823 HydrophobicContact CB-CB 4.14Å; I781-L823 HydrophobicContact CB-CD1 4.46Å; I781-L823 HydrophobicContact CB-CG 4.46Å; I781-L823 HydrophobicContact CD1-CD1 4.4Å; I781-L823 HydrophobicContact CG2-CD1 4.5Å; I781-L823 PolarHBondContact N-O 2.88Å; I781-L823 PolarHBondContact O-N 3Å; I781-I862 HydrophobicContact CD1-CG2 3.58Å; I781-I862 HydrophobicContact CG1-CG2 4.09Å
782	T	94.8	Very high	92.1	Very high	65 Å²	65	47.3 Å²	47.3	40%	0.399	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	169	175.7	57.4	0	0	0	0	111.9	P780 G784 Y785 C822	P780-T782 PolarHBondContact O-N 2.93Å; T782-G784 PolarHBondContact O-N 3Å; T782-Y785 VanDerWaalsContact O-CB 3.25Å; T782-Y785 WeakPolarHBondContact O-CB 3.21Å; T782-Y785 PolarHBondContact O-N 2.83Å; T782-C822 HydrophobicContact CG2-CB 4.31Å
783	K	95	Very high	91.7	Very high	152 Å²	152	48.8 Å²	48.8	66%	0.661	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	127.5	170.3	-174.4	-160.8	171.2	-161	0	109.5	T801	K783-T801 WeakPolarHBondContact CE-O 3.28Å; K783-T801 VanDerWaalsContact CG-O 3.29Å; K783-T801 WeakPolarHBondContact CG-O 3.49Å
784	G	93.9	Very high	91.7	Very high	46 Å²	46	49.2 Å²	49.2	47%	0.474	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	92	3	-175.4	0	0	0	0	0	114	T782 I800	T782-G784 PolarHBondContact O-N 3Å; G784-I800 PolarHBondContact N-O 2.91Å
785	Y	94.7	Very high	91.7	Very high	29 Å²	29	53 Å²	53	11%	0.114	29%	0.292	C	S	.	.			trans	-61.8	125.6	179.6	-168.9	-107.2	0	0	0	111.1	I781 T782 V787 I800 V857 I862	I781-Y785 HydrophobicContact CG1-CD1 4.5Å; I781-Y785 HydrophobicContact CG2-CD1 4.13Å; I781-Y785 HydrophobicContact CG2-CG 4.26Å; T782-Y785 VanDerWaalsContact O-CB 3.25Å; T782-Y785 WeakPolarHBondContact O-CB 3.21Å; T782-Y785 PolarHBondContact O-N 2.83Å; Y785-V787 HydrophobicContact CD1-CG1 3.58Å; Y785-V787 HydrophobicContact CE1-CG1 3.87Å; Y785-I800 HydrophobicContact CD1-CD1 4.36Å; Y785-I800 PolarHBondContact O-N 3.37Å; Y785-V857 HydrophobicContact CE1-CG2 3.89Å; Y785-I862 HydrophobicContact CE1-CD1 3.77Å
786	P	95.9	Very high	91.9	Very high	84 Å²	84	52.9 Å²	52.9	55%	0.545	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	137.6	177.6	32.1	-33.6	0	0	0	110.4	V857	P786-V857 WeakPolarHBondContact O-CG2 3.34Å
787	V	95.7	Very high	92.5	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.6	-179.3	-64.1	0	0	0	0	110.8	Y785 A798 I800 L855 V857	Y785-V787 HydrophobicContact CD1-CG1 3.58Å; Y785-V787 HydrophobicContact CE1-CG1 3.87Å; V787-A798 HydrophobicContact CG2-CB 4.08Å; V787-A798 PolarHBondContact N-O 2.87Å; V787-A798 PolarHBondContact O-N 2.95Å; V787-I800 HydrophobicContact CG1-CD1 3.85Å; V787-I800 HydrophobicContact CG1-CG1 4.26Å; V787-I800 HydrophobicContact CG2-CD1 4.47Å; V787-I800 HydrophobicContact CG2-CG1 4.15Å; V787-L855 HydrophobicContact CB-CD2 4.43Å; V787-L855 HydrophobicContact CG2-CD1 4.34Å; V787-L855 HydrophobicContact CG2-CD2 3.88Å; V787-V857 HydrophobicContact CB-CG2 4.27Å; V787-V857 HydrophobicContact CG1-CG2 3.97Å
788	I	95.7	Very high	93.1	Very high	68 Å²	68	49.3 Å²	49.3	35%	0.349	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.9	167.3	-53.4	175.3	0	0	0	107.4	Y790 N795 L855 R856	I788-Y790 HydrophobicContact CB-CD2 4.38Å; I788-Y790 HydrophobicContact CB-CE2 3.71Å; I788-Y790 HydrophobicContact CG2-CD2 3.95Å; I788-Y790 HydrophobicContact CG2-CE2 3.31Å; I788-Y790 WeakPolarHBondContact O-CD2 3.45Å; I788-N795 HydrophobicContact CG2-CB 3.86Å; I788-L855 WeakPolarHBondContact O-CA 3.41Å; I788-R856 PolarHBondContact N-O 3.22Å; I788-R856 PolarHBondContact O-N 3.04Å
789	Y	95.6	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	113.2	179.8	-177.7	-90.3	0	0	0	109.7	I768 Y791 N795 V796 L833 F835 I839 I841 F853 L855	I768-Y789 HydrophobicContact CD1-CE2 4.22Å; Y789-Y791 AromaticContact CD1-CD1 3.55Å; Y789-Y791 HydrophobicContact CD1-CD1 3.55Å; Y789-Y791 HydrophobicContact CD1-CE1 4.31Å; Y789-Y791 HydrophobicContact CD1-CG 4.21Å; Y789-Y791 AromaticContact CE1-CD1 3.66Å; Y789-Y791 HydrophobicContact CE1-CD1 3.66Å; Y789-Y791 AromaticContact CE1-CG 3.85Å; Y789-Y791 HydrophobicContact CE1-CG 3.85Å; Y789-N795 VanDerWaalsContact O-CA 3.32Å; Y789-N795 WeakPolarHBondContact O-CA 3.5Å; Y789-V796 WeakPolarHBondContact CA-O 3.28Å; Y789-V796 WeakPolarHBondContact CB-O 3.24Å; Y789-V796 PolarHBondContact N-O 2.99Å; Y789-V796 PolarHBondContact O-N 3.46Å; Y789-L833 HydrophobicContact CD2-CD1 3.87Å; Y789-L833 HydrophobicContact CE2-CD1 3.78Å; Y789-F835 HydrophobicContact CD1-CD1 4.44Å; Y789-F835 AromaticContact CD1-CE1 3.7Å; Y789-F835 HydrophobicContact CD1-CE1 3.7Å; Y789-F835 HydrophobicContact CD1-CZ 4.25Å; Y789-F835 AromaticContact CD2-CE1 3.6Å; Y789-F835 HydrophobicContact CD2-CE1 3.6Å; Y789-F835 HydrophobicContact CD2-CZ 4.14Å; Y789-F835 AromaticContact CE1-CE1 3.95Å; Y789-F835 HydrophobicContact CE1-CE1 3.95Å; Y789-F835 HydrophobicContact CE1-CZ 4.03Å; Y789-F835 AromaticContact CE2-CE1 3.83Å; Y789-F835 HydrophobicContact CE2-CE1 3.83Å; Y789-F835 AromaticContact CE2-CZ 3.88Å; Y789-F835 HydrophobicContact CE2-CZ 3.88Å; Y789-F835 HydrophobicContact CG-CD1 4.35Å; Y789-F835 AromaticContact CG-CE1 3.54Å; Y789-F835 HydrophobicContact CG-CE1 3.54Å; Y789-F835 HydrophobicContact CG-CZ 4.33Å; Y789-F835 AromaticContact CZ-CZ 3.84Å; Y789-I839 HydrophobicContact CD1-CD1 4Å; Y789-I839 HydrophobicContact CE1-CD1 3.74Å; Y789-I841 HydrophobicContact CE1-CD1 3.65Å; Y789-I841 WeakPolarHBondContact OH-CD1 3.49Å; Y789-F853 HydrophobicContact CD2-CB 4.45Å; Y789-F853 AromaticContact CD2-CD2 3.7Å; Y789-F853 HydrophobicContact CD2-CD2 3.7Å; Y789-F853 HydrophobicContact CD2-CE2 4.11Å; Y789-F853 HydrophobicContact CD2-CG 4.16Å; Y789-F853 HydrophobicContact CE1-CB 4.13Å; Y789-F853 HydrophobicContact CE2-CB 3.7Å; Y789-F853 AromaticContact CE2-CD1 3.78Å; Y789-F853 HydrophobicContact CE2-CD1 3.78Å; Y789-F853 AromaticContact CE2-CD2 3.19Å; Y789-F853 HydrophobicContact CE2-CD2 3.19Å; Y789-F853 HydrophobicContact CE2-CE1 4.14Å; Y789-F853 AromaticContact CE2-CE2 3.61Å; Y789-F853 HydrophobicContact CE2-CE2 3.61Å; Y789-F853 AromaticContact CE2-CG 3.27Å; Y789-F853 HydrophobicContact CE2-CG 3.27Å; Y789-F853 HydrophobicContact CE2-CZ 4.05Å; Y789-F853 VanDerWaalsContact CZ-CB 3.48Å; Y789-F853 AromaticContact CZ-CD1 3.88Å; Y789-F853 AromaticContact CZ-CD2 3.92Å; Y789-F853 AromaticContact CZ-CG 3.5Å; Y789-F853 VanDerWaalsContact CZ-CG 3.5Å; Y789-F853 WeakPolarHBondContact OH-CB 3.47Å; Y789-F853 VanDerWaalsContact OH-CD1 3.27Å; Y789-F853 WeakPolarHBondContact OH-CD1 3.49Å; Y789-F853 WeakPolarHBondContact OH-CG 3.46Å; Y789-L855 HydrophobicContact CD2-CD2 3.63Å; Y789-L855 HydrophobicContact CG-CD2 4.35Å
790	Y	94.6	Very high	94.1	Very high	22 Å²	22	37 Å²	37	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.5	178.1	-70.5	-97.5	0	0	0	110.2	P498 I501 I788 A794 N795 F853 M854 R856	P498-Y790 HydrophobicContact CB-CE1 3.82Å; P498-Y790 HydrophobicContact CG-CE1 4.07Å; I501-Y790 HydrophobicContact CD1-CD1 4.21Å; I501-Y790 HydrophobicContact CD1-CG 4.15Å; I788-Y790 HydrophobicContact CB-CD2 4.38Å; I788-Y790 HydrophobicContact CB-CE2 3.71Å; I788-Y790 HydrophobicContact CG2-CD2 3.95Å; I788-Y790 HydrophobicContact CG2-CE2 3.31Å; I788-Y790 WeakPolarHBondContact O-CD2 3.45Å; Y790-A794 WeakPolarHBondContact CA-O 2.99Å; Y790-N795 HydrophobicContact CD1-CB 3.8Å; Y790-N795 HydrophobicContact CE1-CB 3.67Å; Y790-N795 HydrophobicContact CG-CB 4.28Å; Y790-F853 WeakPolarHBondContact O-CA 3.24Å; Y790-F853 WeakPolarHBondContact O-CB 3.37Å; Y790-M854 PolarHBondContact N-O 3.43Å; Y790-M854 PolarHBondContact O-N 3.08Å; Y790-R856 HydrophobicContact CD2-CB 4.25Å; Y790-R856 HydrophobicContact CD2-CG 3.8Å; Y790-R856 HydrophobicContact CE2-CB 3.75Å; Y790-R856 HydrophobicContact CE2-CG 3.62Å
791	Y	92.5	Very high	94.2	Very high	20 Å²	20	35.9 Å²	35.9	8%	0.078	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.8	-179.5	65	-74.1	0	0	0	109.3	Y789 C793 A794 V796 I839	Y789-Y791 AromaticContact CD1-CD1 3.55Å; Y789-Y791 HydrophobicContact CD1-CD1 3.55Å; Y789-Y791 HydrophobicContact CD1-CE1 4.31Å; Y789-Y791 HydrophobicContact CD1-CG 4.21Å; Y789-Y791 AromaticContact CE1-CD1 3.66Å; Y789-Y791 HydrophobicContact CE1-CD1 3.66Å; Y789-Y791 AromaticContact CE1-CG 3.85Å; Y789-Y791 HydrophobicContact CE1-CG 3.85Å; Y791-C793 PolarHBondContact O-N 3.02Å; Y791-A794 HydrophobicContact CD1-CB 4.44Å; Y791-A794 HydrophobicContact CE1-CB 3.84Å; Y791-A794 HydrophobicContact CE2-CB 4.12Å; Y791-A794 PolarHBondContact N-O 2.82Å; Y791-A794 PolarHBondContact O-N 3.07Å; Y791-A794 VanDerWaalsContact O-O 3.08Å; Y791-V796 HydrophobicContact CE1-CB 4.22Å; Y791-V796 HydrophobicContact CE1-CG2 3.9Å; Y791-I839 HydrophobicContact CE1-CD1 4.29Å; Y791-I839 HydrophobicContact CE1-CG2 4.36Å
792	N	88.3	Confident	94.2	Very high	6 Å²	6	41.1 Å²	41.1	3%	0.032	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-108.7	-178.9	-61.2	-22.5	0	0	0	112.1	T505 V652 L850	T505-N792 WeakPolarHBondContact CG2-O 3.36Å; T505-N792 PolarHBondContact OG1-O 2.89Å; V652-N792 HydrophobicContact CG1-CB 3.91Å; V652-N792 HydrophobicContact CG2-CB 4.17Å; N792-L850 WeakPolarHBondContact ND2-CD2 3.16Å
793	C	87.6	Confident	94.2	Very high	33 Å²	33	38.8 Å²	38.8	22%	0.223	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	16	176.7	-59.8	0	0	0	0	113	Q506 Y791	Q506-C793 PolarHBondContact NE2-SG 2.93Å; Y791-C793 PolarHBondContact O-N 3.02Å
794	A	91.3	Very high	94.1	Very high	15 Å²	15	35.3 Å²	35.3	12%	0.124	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	164.9	-173.4	0	0	0	0	0	113.6	P751 Y790 Y791	P751-A794 WeakPolarHBondContact O-CB 3.22Å; Y790-A794 WeakPolarHBondContact CA-O 2.99Å; Y791-A794 HydrophobicContact CD1-CB 4.44Å; Y791-A794 HydrophobicContact CE1-CB 3.84Å; Y791-A794 HydrophobicContact CE2-CB 4.12Å; Y791-A794 PolarHBondContact N-O 2.82Å; Y791-A794 PolarHBondContact O-N 3.07Å; Y791-A794 VanDerWaalsContact O-O 3.08Å
795	N	93.5	Very high	94.1	Very high	80 Å²	80	34 Å²	34	43%	0.428	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.4	170	58	15.3	0	0	0	112	I788 Y789 Y790	I788-N795 HydrophobicContact CG2-CB 3.86Å; Y789-N795 VanDerWaalsContact O-CA 3.32Å; Y789-N795 WeakPolarHBondContact O-CA 3.5Å; Y790-N795 HydrophobicContact CD1-CB 3.8Å; Y790-N795 HydrophobicContact CE1-CB 3.67Å; Y790-N795 HydrophobicContact CG-CB 4.28Å
796	V	94.3	Very high	94	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.6	176	165.4	0	0	0	0	108.7	Y789 Y791 F835 I839	Y789-V796 WeakPolarHBondContact CA-O 3.28Å; Y789-V796 WeakPolarHBondContact CB-O 3.24Å; Y789-V796 PolarHBondContact N-O 2.99Å; Y789-V796 PolarHBondContact O-N 3.46Å; Y791-V796 HydrophobicContact CE1-CB 4.22Å; Y791-V796 HydrophobicContact CE1-CG2 3.9Å; V796-F835 HydrophobicContact CG1-CB 4.17Å; V796-F835 HydrophobicContact CG1-CD1 4.42Å; V796-I839 HydrophobicContact CB-CG2 4.46Å; V796-I839 HydrophobicContact CG1-CG2 4.43Å; V796-I839 HydrophobicContact CG2-CG2 3.88Å
797	A	96.2	Very high	93.7	Very high	35 Å²	35	30.7 Å²	30.7	29%	0.289	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.9	173.4	0	0	0	0	0	110.5	E836	A797-E836 VanDerWaalsContact CB-CD 3.46Å; A797-E836 HydrophobicContact CB-CG 4.14Å; A797-E836 WeakPolarHBondContact CB-OE2 3.33Å; A797-E836 PolarHBondContact O-N 2.81Å; A797-E836 VanDerWaalsContact O-N 3.13Å
798	A	96.2	Very high	93.1	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159	-175.2	0	0	0	0	0	111.3	V787 T834 F835	V787-A798 HydrophobicContact CG2-CB 4.08Å; V787-A798 PolarHBondContact N-O 2.87Å; V787-A798 PolarHBondContact O-N 2.95Å; A798-T834 CarbonylContact C-O 3.58Å; A798-T834 VanDerWaalsContact CA-O 3.3Å; A798-T834 WeakPolarHBondContact CA-O 3.25Å; A798-F835 HydrophobicContact CB-CD1 3.66Å; A798-F835 HydrophobicContact CB-CE1 3.97Å
799	T	96.7	Very high	92.1	Very high	48 Å²	48	31 Å²	31	29%	0.294	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.9	176.8	55.9	0	0	0	0	110.8	T801 L833 T834	T799-T801 PolarHBondContact O-N 3.41Å; T799-T801 VanDerWaalsContact O-N 3.12Å; T799-L833 WeakPolarHBondContact O-CA 3.27Å; T799-T834 PolarHBondContact N-O 2.97Å; T799-T834 PolarHBondContact O-N 3.41Å; T799-T834 PolarHBondContact OG1-O 2.8Å
800	I	96.2	Very high	90.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	87	178.8	-56.1	-179.3	0	0	0	108.7	I781 G784 Y785 V787 L803 V831 L833 L855	I781-I800 HydrophobicContact CG2-CD1 3.47Å; I781-I800 VanDerWaalsContact CG2-CD1 3.47Å; G784-I800 PolarHBondContact N-O 2.91Å; Y785-I800 HydrophobicContact CD1-CD1 4.36Å; Y785-I800 PolarHBondContact O-N 3.37Å; V787-I800 HydrophobicContact CG1-CD1 3.85Å; V787-I800 HydrophobicContact CG1-CG1 4.26Å; V787-I800 HydrophobicContact CG2-CD1 4.47Å; V787-I800 HydrophobicContact CG2-CG1 4.15Å; I800-L803 HydrophobicContact CG2-CD2 3.64Å; I800-V831 HydrophobicContact CG2-CB 4.19Å; I800-V831 HydrophobicContact CG2-CG1 4.33Å; I800-L833 HydrophobicContact CB-CD2 4.29Å; I800-L833 HydrophobicContact CG1-CD2 3.65Å; I800-L833 HydrophobicContact CG2-CD2 4.48Å; I800-L855 HydrophobicContact CD1-CD1 4.39Å
801	T	94.4	Very high	89.2	Confident	39 Å²	39	39.7 Å²	39.7	24%	0.239	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-31	-167	57.4	0	0	0	0	114.3	K783 T799 E832 T834	K783-T801 WeakPolarHBondContact CE-O 3.28Å; K783-T801 VanDerWaalsContact CG-O 3.29Å; K783-T801 WeakPolarHBondContact CG-O 3.49Å; T799-T801 PolarHBondContact O-N 3.41Å; T799-T801 VanDerWaalsContact O-N 3.12Å; T801-E832 PolarHBondContact N-O 3.46Å; T801-E832 PolarHBondContact OG1-O 3.12Å; T801-T834 VanDerWaalsContact CG2-OG1 3.24Å; T801-T834 WeakPolarHBondContact CG2-OG1 3.42Å; T801-T834 PolarHBondContact OG1-OG1 3.04Å
802	K	94.6	Very high	88	Confident	111 Å²	111	48.9 Å²	48.9	48%	0.483	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	136.8	175	-51.7	-163.5	-165.1	88.9	0	112.5	V831 E832	K802-V831 CarbonylContact O-C 3.54Å; K802-V831 VanDerWaalsContact O-CA 3.28Å; K802-V831 WeakPolarHBondContact O-CA 3.44Å; K802-E832 HydrophobicContact CB-CB 4.16Å; K802-E832 HydrophobicContact CB-CG 4.42Å; K802-E832 VanDerWaalsContact CD-OE2 3.24Å; K802-E832 WeakPolarHBondContact CD-OE2 3.32Å; K802-E832 WeakPolarHBondContact CE-OE2 3.45Å; K802-E832 PolarHBondContact N-O 2.86Å; K802-E832 IonicContact NZ-OE2 2.57Å; K802-E832 PolarHBondContact NZ-OE2 2.57Å; K802-E832 PolarHBondContact O-N 2.85Å
803	L	95.5	Very high	87.2	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.084	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112.5	166.9	-52.1	179.9	0	0	0	108.4	I800 P820 L823 V831	I800-L803 HydrophobicContact CG2-CD2 3.64Å; L803-P820 HydrophobicContact CB-CG 3.93Å; L803-P820 HydrophobicContact CD1-CG 4.37Å; L803-L823 HydrophobicContact CD1-CD2 4.28Å; L803-L823 HydrophobicContact CD1-CG 4.15Å; L803-L823 HydrophobicContact CD2-CD1 3.93Å; L803-L823 HydrophobicContact CD2-CD2 4.38Å; L803-L823 HydrophobicContact CD2-CG 4.02Å; L803-V831 HydrophobicContact CD2-CB 4.5Å; L803-V831 HydrophobicContact CD2-CG1 3.73Å
804	K	93.3	Very high	86.8	Confident	78 Å²	78	57 Å²	57	34%	0.339	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-53.3	-177.1	-69.5	175.3	165.4	159.9	0	111.7	S769 K819 N830 E832	S769-K804 PolarHBondContact OG-NZ 2.82Å; K804-K819 PolarHBondContact O-N 3.19Å; K804-N830 WeakPolarHBondContact CA-O 3.43Å; K804-N830 HydrophobicContact CB-CB 4.15Å; K804-N830 VanDerWaalsContact CB-O 3.31Å; K804-N830 WeakPolarHBondContact CB-O 3.4Å; K804-N830 PolarHBondContact N-O 3.27Å; K804-E832 HydrophobicContact CD-CG 4.35Å; K804-E832 VanDerWaalsContact CE-CD 3.48Å; K804-E832 VanDerWaalsContact CE-CG 3.49Å; K804-E832 WeakPolarHBondContact CE-OE1 3.47Å; K804-E832 IonicContact NZ-OE1 2.71Å; K804-E832 PolarHBondContact NZ-OE1 3.15Å
805	S	92.9	Very high	86.4	Confident	18 Å²	18	61 Å²	61	13%	0.126	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	149.5	179.4	59.3	0	0	0	0	110.4	V817 A829 N830	S805-V817 CarbonylContact C-O 3.52Å; S805-V817 VanDerWaalsContact CA-O 3.25Å; S805-V817 WeakPolarHBondContact CA-O 3.46Å; S805-A829 CarbonylContact O-C 3.54Å; S805-A829 VanDerWaalsContact O-CA 3.24Å; S805-A829 WeakPolarHBondContact O-CA 3.35Å; S805-N830 PolarHBondContact N-O 3.4Å; S805-N830 PolarHBondContact O-N 2.87Å; S805-N830 PolarHBondContact OG-ND2 2.98Å; S805-N830 VanDerWaalsContact OG-ND2 3.12Å
806	M	92.8	Very high	86.1	Confident	22 Å²	22	61.3 Å²	61.3	11%	0.108	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.9	168.4	174.2	-179.3	75.7	0	0	108.2	V816 V817 P820 L823 C827 T828	M806-V816 CarbonylContact O-C 3.57Å; M806-V816 WeakPolarHBondContact O-CA 3.49Å; M806-V817 HydrophobicContact CE-CB 4.39Å; M806-V817 HydrophobicContact CE-CG2 4.23Å; M806-V817 PolarHBondContact N-O 2.72Å; M806-V817 PolarHBondContact O-N 2.71Å; M806-P820 HydrophobicContact CB-CB 4.1Å; M806-P820 HydrophobicContact CB-CG 3.84Å; M806-P820 HydrophobicContact CE-CB 4.5Å; M806-L823 HydrophobicContact CB-CD2 3.9Å; M806-L823 HydrophobicContact CG-CD2 4.18Å; M806-L823 HydrophobicContact SD-CD2 4.13Å; M806-C827 HydrophobicContact CG-CB 3.83Å; M806-C827 HydrophobicContact SD-CB 4.08Å; M806-T828 CarbonylContact C-O 3.44Å; M806-T828 WeakPolarHBondContact CA-O 3.17Å
807	T	89.2	Confident	86	Confident	22 Å²	22	64.2 Å²	64.2	14%	0.135	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.4	168.2	-58.2	0	0	0	0	107.3	E814 K815 V816 T828	T807-E814 HydrophobicContact CG2-CB 4.09Å; T807-K815 WeakPolarHBondContact CA-O 3.26Å; T807-V816 HydrophobicContact CG2-CG2 4.27Å; T807-T828 PolarHBondContact N-O 2.86Å; T807-T828 PolarHBondContact O-N 3.5Å; T807-T828 VanDerWaalsContact O-N 3.08Å; T807-T828 PolarHBondContact O-OG1 2.86Å
808	H	83.6	Confident	85.8	Confident	47 Å²	47	73.2 Å²	73.2	22%	0.218	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.9	171.4	-172.9	-90.8	0	0	0	108.5	K815	H808-K815 PolarHBondContact N-O 2.85Å; H808-K815 PolarHBondContact O-N 3.39Å
809	R	74.2	Confident	85.5	Confident	35 Å²	35	81.6 Å²	81.6	13%	0.132	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	113.3	176.8	-73.7	174.7	162.3	-160	-13.7	107.9	L62 T65 E67 D68 E814	L62-R809 WeakPolarHBondContact CD1-O 3.38Å; L62-R809 WeakPolarHBondContact CD2-O 3.48Å; T65-R809 PolarHBondContact OG1-NH1 3.07Å; E67-R809 IonicContact OE2-CZ 3.12Å; E67-R809 IonicContact OE2-NH2 2.7Å; E67-R809 PolarHBondContact OE2-NH2 3.16Å; D68-R809 IonicContact OD1-CZ 2.78Å; D68-R809 IonicContact OD1-NE 2.7Å; D68-R809 PolarHBondContact OD1-NE 2.64Å; D68-R809 IonicContact OD1-NH1 3.65Å; D68-R809 PolarHBondContact OD1-NH1 2.76Å; D68-R809 IonicContact OD2-CZ 2.67Å; D68-R809 IonicContact OD2-NE 2.85Å; D68-R809 IonicContact OD2-NH1 3.24Å; D68-R809 PolarHBondContact OD2-NH1 2.91Å; R809-E814 HydrophobicContact CG-CG 4.28Å; R809-E814 IonicContact CZ-OE1 3.89Å; R809-E814 IonicContact NE-OE1 3.5Å; R809-E814 PolarHBondContact NE-OE1 3.14Å; R809-E814 IonicContact NH2-OE1 2.8Å; R809-E814 PolarHBondContact NH2-OE1 3.2Å
810	E	68.2	Low	85.4	Confident	76 Å²	76	80 Å²	80	36%	0.355	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.4	-179.4	-162.3	-171.1	163.5	0	0	108.7	K812 I813 K815	E810-K812 VanDerWaalsContact C-N 3.25Å; E810-K812 PolarHBondContact O-N 3.36Å; E810-I813 PolarHBondContact N-O 3.01Å; E810-I813 WeakPolarHBondContact O-CB 3.47Å; E810-I813 PolarHBondContact O-N 2.84Å; E810-K815 IonicContact OE2-NZ 2.85Å; E810-K815 PolarHBondContact OE2-NZ 2.76Å
811	N	62	Low	85.2	Confident	128 Å²	128	91.2 Å²	91.2	68%	0.684	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	39.2	-178.9	-57.8	-38.5	0	0	0	114.2	I813	N811-I813 PolarHBondContact O-N 2.86Å
812	K	65.9	Low	85.1	Confident	213 Å²	213	91.4 Å²	91.4	93%	0.926	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	2.4	-172.2	-53	-178.3	178.1	-177.5	0	115.9	E810	E810-K812 VanDerWaalsContact C-N 3.25Å; E810-K812 PolarHBondContact O-N 3.36Å
813	I	73.2	Confident	85	Confident	109 Å²	109	86.1 Å²	86.1	56%	0.559	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	126.8	175	-57.8	175.2	0	0	0	108.6	E810 N811 K815	E810-I813 PolarHBondContact N-O 3.01Å; E810-I813 WeakPolarHBondContact O-CB 3.47Å; E810-I813 PolarHBondContact O-N 2.84Å; N811-I813 PolarHBondContact O-N 2.86Å; I813-K815 PolarHBondContact O-N 2.96Å
814	E	79.3	Confident	84.7	Confident	99 Å²	99	90 Å²	90	46%	0.463	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	112.8	172.8	-58	-150.7	136.8	0	0	110.7	T807 R809	T807-E814 HydrophobicContact CG2-CB 4.09Å; R809-E814 HydrophobicContact CG-CG 4.28Å; R809-E814 IonicContact CZ-OE1 3.89Å; R809-E814 IonicContact NE-OE1 3.5Å; R809-E814 PolarHBondContact NE-OE1 3.14Å; R809-E814 IonicContact NH2-OE1 2.8Å; R809-E814 PolarHBondContact NH2-OE1 3.2Å
815	K	82.9	Confident	84.4	Confident	100 Å²	100	87.3 Å²	87.3	44%	0.435	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	106.8	173.1	-66.2	177.9	-175.9	171.6	0	109.2	T807 H808 E810 I813	T807-K815 WeakPolarHBondContact CA-O 3.26Å; H808-K815 PolarHBondContact N-O 2.85Å; H808-K815 PolarHBondContact O-N 3.39Å; E810-K815 IonicContact OE2-NZ 2.85Å; E810-K815 PolarHBondContact OE2-NZ 2.76Å; I813-K815 PolarHBondContact O-N 2.96Å
816	V	87.3	Confident	84.1	Confident	87 Å²	87	88.7 Å²	88.7	53%	0.527	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	105.9	177.4	-174	0	0	0	0	110.6	M806 T807	M806-V816 CarbonylContact O-C 3.57Å; M806-V816 WeakPolarHBondContact O-CA 3.49Å; T807-V816 HydrophobicContact CG2-CG2 4.27Å
817	V	90.9	Very high	83.9	Confident	64 Å²	64	87.7 Å²	87.7	39%	0.388	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.7	175.6	-177.9	0	0	0	0	109.5	S805 M806 P820	S805-V817 CarbonylContact C-O 3.52Å; S805-V817 VanDerWaalsContact CA-O 3.25Å; S805-V817 WeakPolarHBondContact CA-O 3.46Å; M806-V817 HydrophobicContact CE-CB 4.39Å; M806-V817 HydrophobicContact CE-CG2 4.23Å; M806-V817 PolarHBondContact N-O 2.72Å; M806-V817 PolarHBondContact O-N 2.71Å; V817-P820 HydrophobicContact CG1-CB 4.28Å
818	R	91.9	Very high	84.1	Confident	223 Å²	223	87.1 Å²	87.1	84%	0.842	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	134	172.9	-64.3	-178.9	178.5	-179.3	-0.3	109.8
819	K	91.2	Very high	84.6	Confident	178 Å²	178	85 Å²	85	77%	0.774	40%	0.402	S	S	*	.	S	Bend	trans	49.9	62.3	-179.3	-60.4	179.3	-178.8	175.5	0	113.8	K804	K804-K819 PolarHBondContact O-N 3.19Å
820	P	92.8	Very high	85.7	Confident	15 Å²	15	86.2 Å²	86.2	10%	0.097	41%	0.411	C	S	.	.			trans	-63.2	151.8	176.6	32.3	-39.1	0	0	0	111.5	L803 M806 V817 L823	L803-P820 HydrophobicContact CB-CG 3.93Å; L803-P820 HydrophobicContact CD1-CG 4.37Å; M806-P820 HydrophobicContact CB-CB 4.1Å; M806-P820 HydrophobicContact CB-CG 3.84Å; M806-P820 HydrophobicContact CE-CB 4.5Å; V817-P820 HydrophobicContact CG1-CB 4.28Å; P820-L823 HydrophobicContact CB-CD2 4.48Å; P820-L823 HydrophobicContact CG-CD2 3.79Å
821	R	92.2	Very high	87	Confident	236 Å²	236	82.6 Å²	82.6	89%	0.891	39%	0.394	S	S	*	.	S	Bend	trans	-72.5	-39.6	176	-68.6	-170.2	-69.8	178.5	-1.9	112.3
822	C	92.4	Very high	88.6	Confident	43 Å²	43	77.7 Å²	77.7	29%	0.291	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	161.2	175.5	55.4	0	0	0	0	109.4	P780 I781 T782	P780-C822 HydrophobicContact CB-CB 4.31Å; I781-C822 CarbonylContact O-C 3.46Å; I781-C822 WeakPolarHBondContact O-CA 3.44Å; I781-C822 WeakPolarHBondContact O-CB 3.32Å; T782-C822 HydrophobicContact CG2-CB 4.31Å
823	L	92.5	Very high	90.1	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.6	167.8	-49.1	178.7	0	0	0	108.6	V774 P780 I781 L803 M806 P820 A829 V831	V774-L823 HydrophobicContact CG2-CB 4.4Å; V774-L823 HydrophobicContact CG2-CD1 4Å; P780-L823 WeakPolarHBondContact CA-O 3.41Å; I781-L823 HydrophobicContact CB-CB 4.14Å; I781-L823 HydrophobicContact CB-CD1 4.46Å; I781-L823 HydrophobicContact CB-CG 4.46Å; I781-L823 HydrophobicContact CD1-CD1 4.4Å; I781-L823 HydrophobicContact CG2-CD1 4.5Å; I781-L823 PolarHBondContact N-O 2.88Å; I781-L823 PolarHBondContact O-N 3Å; L803-L823 HydrophobicContact CD1-CD2 4.28Å; L803-L823 HydrophobicContact CD1-CG 4.15Å; L803-L823 HydrophobicContact CD2-CD1 3.93Å; L803-L823 HydrophobicContact CD2-CD2 4.38Å; L803-L823 HydrophobicContact CD2-CG 4.02Å; M806-L823 HydrophobicContact CB-CD2 3.9Å; M806-L823 HydrophobicContact CG-CD2 4.18Å; M806-L823 HydrophobicContact SD-CD2 4.13Å; P820-L823 HydrophobicContact CB-CD2 4.48Å; P820-L823 HydrophobicContact CG-CD2 3.79Å; L823-A829 HydrophobicContact CD1-CB 3.5Å; L823-A829 HydrophobicContact CD2-CB 3.64Å; L823-A829 HydrophobicContact CG-CB 4.2Å; L823-V831 HydrophobicContact CD1-CG1 4.13Å
824	L	89.4	Confident	91.1	Very high	96 Å²	96	64.2 Å²	64.2	50%	0.503	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-86.5	169.5	171.6	-60.7	177.8	0	0	0	110	P780 C827	P780-L824 HydrophobicContact CB-CD2 4.26Å; L824-C827 PolarHBondContact O-SG 3.36Å
825	G	86.9	Confident	91.9	Very high	22 Å²	22	60 Å²	60	23%	0.227	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	155.5	174.7	0	0	0	0	0	113.2	F775 C827	F775-G825 WeakPolarHBondContact O-CA 3.3Å; G825-C827 VanDerWaalsContact C-N 3.3Å; G825-C827 PolarHBondContact O-N 3.14Å
826	N	86.4	Confident	92.4	Very high	48 Å²	48	62.4 Å²	62.4	26%	0.257	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	29.7	178.2	-54	-35.9	0	0	0	115.6	F64 V774 F775 S776	F64-N826 HydrophobicContact CE1-CB 4.3Å; F64-N826 HydrophobicContact CZ-CB 3.92Å; V774-N826 VanDerWaalsContact O-CA 3.22Å; V774-N826 WeakPolarHBondContact O-CA 3.24Å; V774-N826 PolarHBondContact O-N 3.45Å; V774-N826 VanDerWaalsContact O-N 3.09Å; F775-N826 PolarHBondContact O-N 3.29Å; S776-N826 PolarHBondContact N-OD1 3.28Å
827	C	90.3	Very high	92.5	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.007	30%	0.299	C	S	.	.			trans	-108.1	158.6	171.1	73.6	0	0	0	0	112.2	V774 M806 L824 G825	V774-C827 WeakPolarHBondContact CB-O 3.24Å; V774-C827 PolarHBondContact N-O 3.46Å; M806-C827 HydrophobicContact CG-CB 3.83Å; M806-C827 HydrophobicContact SD-CB 4.08Å; L824-C827 PolarHBondContact O-SG 3.36Å; G825-C827 VanDerWaalsContact C-N 3.3Å; G825-C827 PolarHBondContact O-N 3.14Å
828	T	92.8	Very high	92.5	Very high	10 Å²	10	64.7 Å²	64.7	6%	0.061	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.2	163	48.2	0	0	0	0	109.7	D68 L772 L773 M806 T807	D68-T828 HydrophobicContact CB-CG2 4.27Å; D68-T828 WeakPolarHBondContact OD1-CG2 3.32Å; L772-T828 CarbonylContact O-C 3.58Å; L772-T828 VanDerWaalsContact O-CA 3.25Å; L772-T828 WeakPolarHBondContact O-CA 3.45Å; L773-T828 HydrophobicContact CD1-CG2 3.45Å; L773-T828 VanDerWaalsContact CD1-CG2 3.45Å; M806-T828 CarbonylContact C-O 3.44Å; M806-T828 WeakPolarHBondContact CA-O 3.17Å; T807-T828 PolarHBondContact N-O 2.86Å; T807-T828 PolarHBondContact O-N 3.5Å; T807-T828 VanDerWaalsContact O-N 3.08Å; T807-T828 PolarHBondContact O-OG1 2.86Å
829	A	94.7	Very high	92.6	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	138.6	-175.6	0	0	0	0	0	112.9	K771 L772 S805 L823 V831	K771-A829 CarbonylContact C-O 3.56Å; L772-A829 PolarHBondContact N-O 3Å; L772-A829 PolarHBondContact O-N 3.13Å; S805-A829 CarbonylContact O-C 3.54Å; S805-A829 VanDerWaalsContact O-CA 3.24Å; S805-A829 WeakPolarHBondContact O-CA 3.35Å; L823-A829 HydrophobicContact CD1-CB 3.5Å; L823-A829 HydrophobicContact CD2-CB 3.64Å; L823-A829 HydrophobicContact CG-CB 4.2Å; A829-V831 HydrophobicContact CB-CG1 4.29Å
830	N	95.6	Very high	92.6	Very high	59 Å²	59	46.2 Å²	46.2	32%	0.316	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.4	168.6	-66.7	-42	0	0	0	108.8	A770 K804 S805	A770-N830 WeakPolarHBondContact O-CA 3.27Å; K804-N830 WeakPolarHBondContact CA-O 3.43Å; K804-N830 HydrophobicContact CB-CB 4.15Å; K804-N830 VanDerWaalsContact CB-O 3.31Å; K804-N830 WeakPolarHBondContact CB-O 3.4Å; K804-N830 PolarHBondContact N-O 3.27Å; S805-N830 PolarHBondContact N-O 3.4Å; S805-N830 PolarHBondContact O-N 2.87Å; S805-N830 PolarHBondContact OG-ND2 2.98Å; S805-N830 VanDerWaalsContact OG-ND2 3.12Å
831	V	96	Very high	92.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	165.3	-178	-52.2	0	0	0	0	111.6	S769 A770 L772 I800 K802 L803 L823 A829 L833	S769-V831 WeakPolarHBondContact CA-O 3.36Å; A770-V831 PolarHBondContact N-O 3.41Å; A770-V831 PolarHBondContact O-N 2.71Å; L772-V831 HydrophobicContact CD1-CB 4.47Å; L772-V831 HydrophobicContact CD1-CG1 3.97Å; L772-V831 HydrophobicContact CD1-CG2 3.65Å; L772-V831 HydrophobicContact CD2-CG2 4.44Å; L772-V831 HydrophobicContact CG-CG1 4.4Å; L772-V831 HydrophobicContact CG-CG2 3.77Å; I800-V831 HydrophobicContact CG2-CB 4.19Å; I800-V831 HydrophobicContact CG2-CG1 4.33Å; K802-V831 CarbonylContact O-C 3.54Å; K802-V831 VanDerWaalsContact O-CA 3.28Å; K802-V831 WeakPolarHBondContact O-CA 3.44Å; L803-V831 HydrophobicContact CD2-CB 4.5Å; L803-V831 HydrophobicContact CD2-CG1 3.73Å; L823-V831 HydrophobicContact CD1-CG1 4.13Å; A829-V831 HydrophobicContact CB-CG1 4.29Å; V831-L833 HydrophobicContact CG2-CD2 3.9Å; V831-L833 HydrophobicContact CG2-CG 4.08Å
832	E	96.4	Very high	92.6	Very high	26 Å²	26	35.1 Å²	35.1	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.9	161.3	-64.1	-178.5	166.6	0	0	109.6	I768 T801 K802 K804 I871	I768-E832 CarbonylContact O-C 3.5Å; I768-E832 VanDerWaalsContact O-CA 3.25Å; I768-E832 WeakPolarHBondContact O-CA 3.35Å; T801-E832 PolarHBondContact N-O 3.46Å; T801-E832 PolarHBondContact OG1-O 3.12Å; K802-E832 HydrophobicContact CB-CB 4.16Å; K802-E832 HydrophobicContact CB-CG 4.42Å; K802-E832 VanDerWaalsContact CD-OE2 3.24Å; K802-E832 WeakPolarHBondContact CD-OE2 3.32Å; K802-E832 WeakPolarHBondContact CE-OE2 3.45Å; K802-E832 PolarHBondContact N-O 2.86Å; K802-E832 IonicContact NZ-OE2 2.57Å; K802-E832 PolarHBondContact NZ-OE2 2.57Å; K802-E832 PolarHBondContact O-N 2.85Å; K804-E832 HydrophobicContact CD-CG 4.35Å; K804-E832 VanDerWaalsContact CE-CD 3.48Å; K804-E832 VanDerWaalsContact CE-CG 3.49Å; K804-E832 WeakPolarHBondContact CE-OE1 3.47Å; K804-E832 IonicContact NZ-OE1 2.71Å; K804-E832 PolarHBondContact NZ-OE1 3.15Å; E832-I871 HydrophobicContact CG-CD1 4.02Å
833	L	95.9	Very high	92.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.3	175.5	-57.7	178.3	0	0	0	108.8	C767 I768 Y789 T799 I800 V831 F835 F853 L855	C767-L833 WeakPolarHBondContact CA-O 3.2Å; I768-L833 HydrophobicContact CD1-CD1 4.26Å; I768-L833 HydrophobicContact CG1-CB 4Å; I768-L833 HydrophobicContact CG1-CD1 4.47Å; I768-L833 PolarHBondContact N-O 3.23Å; I768-L833 PolarHBondContact O-N 3.49Å; Y789-L833 HydrophobicContact CD2-CD1 3.87Å; Y789-L833 HydrophobicContact CE2-CD1 3.78Å; T799-L833 WeakPolarHBondContact O-CA 3.27Å; I800-L833 HydrophobicContact CB-CD2 4.29Å; I800-L833 HydrophobicContact CG1-CD2 3.65Å; I800-L833 HydrophobicContact CG2-CD2 4.48Å; V831-L833 HydrophobicContact CG2-CD2 3.9Å; V831-L833 HydrophobicContact CG2-CG 4.08Å; L833-F835 HydrophobicContact CB-CE1 4.44Å; L833-F835 HydrophobicContact CB-CZ 4.42Å; L833-F853 HydrophobicContact CD1-CE2 3.86Å; L833-F853 HydrophobicContact CD1-CZ 3.87Å; L833-L855 HydrophobicContact CD1-CD2 4.44Å
834	T	95.9	Very high	92.7	Very high	39 Å²	39	35.4 Å²	35.4	24%	0.239	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.6	171.8	-61.4	0	0	0	0	109.5	T766 C767 A798 T799 T801	T766-T834 CarbonylContact O-C 3.46Å; T766-T834 VanDerWaalsContact O-CA 3.32Å; T766-T834 WeakPolarHBondContact O-CA 3.49Å; C767-T834 PolarHBondContact SG-OG1 3.36Å; A798-T834 CarbonylContact C-O 3.58Å; A798-T834 VanDerWaalsContact CA-O 3.3Å; A798-T834 WeakPolarHBondContact CA-O 3.25Å; T799-T834 PolarHBondContact N-O 2.97Å; T799-T834 PolarHBondContact O-N 3.41Å; T799-T834 PolarHBondContact OG1-O 2.8Å; T801-T834 VanDerWaalsContact CG2-OG1 3.24Å; T801-T834 WeakPolarHBondContact CG2-OG1 3.42Å; T801-T834 PolarHBondContact OG1-OG1 3.04Å
835	F	95.3	Very high	92.8	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.044	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	147.8	-177	-53.6	-60.4	0	0	0	111.4	T766 I768 Y789 V796 A798 L833 R837 I839	T766-F835 PolarHBondContact O-N 3.41Å; I768-F835 HydrophobicContact CB-CE2 4.5Å; I768-F835 HydrophobicContact CD1-CE2 4.14Å; I768-F835 HydrophobicContact CD1-CZ 3.66Å; I768-F835 HydrophobicContact CG1-CE2 3.84Å; I768-F835 HydrophobicContact CG1-CZ 3.7Å; I768-F835 HydrophobicContact CG2-CE2 4.02Å; Y789-F835 HydrophobicContact CD1-CD1 4.44Å; Y789-F835 AromaticContact CD1-CE1 3.7Å; Y789-F835 HydrophobicContact CD1-CE1 3.7Å; Y789-F835 HydrophobicContact CD1-CZ 4.25Å; Y789-F835 AromaticContact CD2-CE1 3.6Å; Y789-F835 HydrophobicContact CD2-CE1 3.6Å; Y789-F835 HydrophobicContact CD2-CZ 4.14Å; Y789-F835 AromaticContact CE1-CE1 3.95Å; Y789-F835 HydrophobicContact CE1-CE1 3.95Å; Y789-F835 HydrophobicContact CE1-CZ 4.03Å; Y789-F835 AromaticContact CE2-CE1 3.83Å; Y789-F835 HydrophobicContact CE2-CE1 3.83Å; Y789-F835 AromaticContact CE2-CZ 3.88Å; Y789-F835 HydrophobicContact CE2-CZ 3.88Å; Y789-F835 HydrophobicContact CG-CD1 4.35Å; Y789-F835 AromaticContact CG-CE1 3.54Å; Y789-F835 HydrophobicContact CG-CE1 3.54Å; Y789-F835 HydrophobicContact CG-CZ 4.33Å; Y789-F835 AromaticContact CZ-CZ 3.84Å; V796-F835 HydrophobicContact CG1-CB 4.17Å; V796-F835 HydrophobicContact CG1-CD1 4.42Å; A798-F835 HydrophobicContact CB-CD1 3.66Å; A798-F835 HydrophobicContact CB-CE1 3.97Å; L833-F835 HydrophobicContact CB-CE1 4.44Å; L833-F835 HydrophobicContact CB-CZ 4.42Å; F835-R837 VanDerWaalsContact C-N 3.34Å; F835-R837 WeakPolarHBondContact CB-O 3.5Å; F835-I839 HydrophobicContact CD1-CD1 3.81Å; F835-I839 HydrophobicContact CD2-CD1 3.61Å; F835-I839 HydrophobicContact CD2-CG1 3.66Å; F835-I839 HydrophobicContact CE1-CD1 3.73Å; F835-I839 HydrophobicContact CE2-CD1 3.48Å; F835-I839 VanDerWaalsContact CE2-CD1 3.48Å; F835-I839 HydrophobicContact CE2-CG1 3.76Å; F835-I839 HydrophobicContact CG-CD1 3.77Å; F835-I839 HydrophobicContact CG-CG1 4.15Å; F835-I839 HydrophobicContact CZ-CD1 3.56Å; F835-I839 HydrophobicContact CZ-CG1 4.35Å
836	E	92.6	Very high	93	Very high	151 Å²	151	45.5 Å²	45.5	71%	0.706	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	-31	172.8	-68.5	-177.5	178.3	0	0	112.8	A797	A797-E836 VanDerWaalsContact CB-CD 3.46Å; A797-E836 HydrophobicContact CB-CG 4.14Å; A797-E836 WeakPolarHBondContact CB-OE2 3.33Å; A797-E836 PolarHBondContact O-N 2.81Å; A797-E836 VanDerWaalsContact O-N 3.13Å
837	R	90.8	Very high	93.1	Very high	131 Å²	131	43.6 Å²	43.6	49%	0.494	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.9	177.8	-69.6	-176.2	-78.1	149.4	-2.1	109.9	F835	F835-R837 VanDerWaalsContact C-N 3.34Å; F835-R837 WeakPolarHBondContact CB-O 3.5Å
838	P	91.2	Very high	93.1	Very high	68 Å²	68	47.1 Å²	47.1	44%	0.442	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	136.4	174.2	29	-34.2	0	0	0	110.3	P764 T766	P764-P838 HydrophobicContact CB-CB 4.32Å; T766-P838 HydrophobicContact CG2-CB 4Å
839	I	92.3	Very high	92.9	Very high	5 Å²	5	49 Å²	49	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.9	179.7	63	-178.4	0	0	0	112	S765 Y789 Y791 V796 F835 I841	S765-I839 PolarHBondContact N-O 3.34Å; S765-I839 PolarHBondContact O-N 3.04Å; Y789-I839 HydrophobicContact CD1-CD1 4Å; Y789-I839 HydrophobicContact CE1-CD1 3.74Å; Y791-I839 HydrophobicContact CE1-CD1 4.29Å; Y791-I839 HydrophobicContact CE1-CG2 4.36Å; V796-I839 HydrophobicContact CB-CG2 4.46Å; V796-I839 HydrophobicContact CG1-CG2 4.43Å; V796-I839 HydrophobicContact CG2-CG2 3.88Å; F835-I839 HydrophobicContact CD1-CD1 3.81Å; F835-I839 HydrophobicContact CD2-CD1 3.61Å; F835-I839 HydrophobicContact CD2-CG1 3.66Å; F835-I839 HydrophobicContact CE1-CD1 3.73Å; F835-I839 HydrophobicContact CE2-CD1 3.48Å; F835-I839 VanDerWaalsContact CE2-CD1 3.48Å; F835-I839 HydrophobicContact CE2-CG1 3.76Å; F835-I839 HydrophobicContact CG-CD1 3.77Å; F835-I839 HydrophobicContact CG-CG1 4.15Å; F835-I839 HydrophobicContact CZ-CD1 3.56Å; F835-I839 HydrophobicContact CZ-CG1 4.35Å; I839-I841 HydrophobicContact CD1-CD1 3.42Å; I839-I841 VanDerWaalsContact CD1-CD1 3.42Å; I839-I841 HydrophobicContact CD1-CG1 4.2Å; I839-I841 HydrophobicContact CG1-CD1 3.8Å; I839-I841 HydrophobicContact CG1-CG1 4.07Å
840	C	91.9	Very high	92.8	Very high	7 Å²	7	49 Å²	49	5%	0.047	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.3	-177	-57.4	0	0	0	0	109.8	L690 L754 I762	L690-C840 HydrophobicContact CB-CB 4.41Å; L754-C840 HydrophobicContact CD1-CB 3.81Å; L754-C840 WeakPolarHBondContact CD1-O 3.31Å; L754-C840 HydrophobicContact CG-CB 4.26Å; I762-C840 HydrophobicContact CG2-CB 4.05Å
841	I	92.1	Very high	92.7	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	22%	0.221	C	C	.	.			trans	-144.5	148.8	-170.4	-71.2	-168	0	0	0	109.5	Y789 I839 V867 I870	Y789-I841 HydrophobicContact CE1-CD1 3.65Å; Y789-I841 WeakPolarHBondContact OH-CD1 3.49Å; I839-I841 HydrophobicContact CD1-CD1 3.42Å; I839-I841 VanDerWaalsContact CD1-CD1 3.42Å; I839-I841 HydrophobicContact CD1-CG1 4.2Å; I839-I841 HydrophobicContact CG1-CD1 3.8Å; I839-I841 HydrophobicContact CG1-CG1 4.07Å; I841-V867 HydrophobicContact CG2-CB 4.32Å; I841-V867 HydrophobicContact CG2-CG1 4.08Å; I841-V867 HydrophobicContact CG2-CG2 3.69Å; I841-I870 VanDerWaalsContact O-CD1 3.23Å; I841-I870 WeakPolarHBondContact O-CD1 3.45Å
842	E	92.4	Very high	92.6	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.075	23%	0.225	C	C	.	.			trans	-112.2	162.1	172.3	-73.9	-157.9	-162.1	0	0	113.5	R650 I762 K846 C847 L850 G851 V867	R650-E842 IonicContact CZ-OE1 3.29Å; R650-E842 IonicContact CZ-OE2 3.49Å; R650-E842 IonicContact NE-OE1 2.79Å; R650-E842 PolarHBondContact NE-OE1 2.7Å; R650-E842 IonicContact NE-OE2 3.2Å; R650-E842 IonicContact NH2-OE1 3.05Å; R650-E842 PolarHBondContact NH2-OE1 2.9Å; R650-E842 IonicContact NH2-OE2 2.7Å; R650-E842 PolarHBondContact NH2-OE2 2.96Å; I762-E842 HydrophobicContact CD1-CG 4Å; I762-E842 WeakPolarHBondContact CD1-OE1 3.41Å; I762-E842 HydrophobicContact CG1-CG 4.1Å; I762-E842 WeakPolarHBondContact CG1-OE1 3.49Å; I762-E842 HydrophobicContact CG2-CG 4.33Å; E842-K846 WeakPolarHBondContact OE2-CB 3.25Å; E842-C847 HydrophobicContact CB-CB 4.09Å; E842-C847 WeakPolarHBondContact OE2-CB 3.17Å; E842-L850 HydrophobicContact CB-CB 4.27Å; E842-L850 HydrophobicContact CG-CD1 4.31Å; E842-G851 WeakPolarHBondContact O-CA 3.29Å; E842-V867 WeakPolarHBondContact O-CB 3.37Å
843	V	94.4	Very high	92.5	Very high	21 Å²	21	46 Å²	46	13%	0.127	22%	0.22	C	C	.	.			trans	-68.4	138.1	169.7	179.3	0	0	0	0	109.3	E845 K846 C847 I870	V843-E845 HydrophobicContact CG1-CB 4.26Å; V843-E845 PolarHBondContact O-N 3.42Å; V843-E845 VanDerWaalsContact O-N 3.13Å; V843-K846 PolarHBondContact O-N 2.94Å; V843-C847 PolarHBondContact O-N 3.03Å; V843-I870 HydrophobicContact CG2-CD1 4.34Å; V843-I870 HydrophobicContact CG2-CG1 4.18Å
844	Y	93.4	Very high	92.5	Very high	29 Å²	29	46 Å²	46	11%	0.114	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.5	-176.7	180	-107.9	0	0	0	113.8	P70 A71 K846 C847 K848 R852 T866 V867	P70-Y844 HydrophobicContact CB-CE1 4.33Å; P70-Y844 HydrophobicContact CB-CE2 4.16Å; P70-Y844 WeakPolarHBondContact CB-OH 3.29Å; A71-Y844 PolarHBondContact O-OH 3.02Å; Y844-K846 VanDerWaalsContact C-N 3.33Å; Y844-K846 PolarHBondContact O-N 3.36Å; Y844-C847 CarbonylContact O-C 3.6Å; Y844-K848 HydrophobicContact CD2-CB 4.29Å; Y844-K848 WeakPolarHBondContact CD2-O 3.28Å; Y844-K848 HydrophobicContact CE1-CG 4.43Å; Y844-K848 HydrophobicContact CE2-CB 3.69Å; Y844-K848 HydrophobicContact CE2-CG 3.94Å; Y844-K848 WeakPolarHBondContact CE2-O 3.31Å; Y844-K848 WeakPolarHBondContact O-CA 2.9Å; Y844-K848 PolarHBondContact O-N 3.35Å; Y844-R852 HydrophobicContact CD2-CG 4.09Å; Y844-R852 HydrophobicContact CE2-CG 3.89Å; Y844-R852 PolarHBondContact OH-NH2 3.21Å; Y844-T866 HydrophobicContact CD1-CG2 4.24Å; Y844-T866 HydrophobicContact CD2-CG2 3.85Å; Y844-T866 HydrophobicContact CE2-CG2 4.2Å; Y844-T866 HydrophobicContact CG-CG2 3.89Å; Y844-V867 WeakPolarHBondContact CB-O 3.26Å; Y844-V867 PolarHBondContact N-O 2.95Å
845	E	91.7	Very high	92.4	Very high	168 Å²	168	44.1 Å²	44.1	79%	0.785	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.3	177.8	-64.6	167.5	-171.7	0	0	113.1	V843	V843-E845 HydrophobicContact CG1-CB 4.26Å; V843-E845 PolarHBondContact O-N 3.42Å; V843-E845 VanDerWaalsContact O-N 3.13Å
846	K	90.4	Very high	92.3	Very high	162 Å²	162	43.9 Å²	43.9	70%	0.704	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-40.8	178.2	-67.8	-170.6	175	-169.8	0	112.7	E842 V843 Y844	E842-K846 WeakPolarHBondContact OE2-CB 3.25Å; V843-K846 PolarHBondContact O-N 2.94Å; Y844-K846 VanDerWaalsContact C-N 3.33Å; Y844-K846 PolarHBondContact O-N 3.36Å
847	C	89.4	Confident	92.4	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.054	19%	0.186	C	C	.	.			trans	-147.5	94.1	-176.9	-171.1	0	0	0	0	110.1	E842 V843 Y844 P849 L850 G851	E842-C847 HydrophobicContact CB-CB 4.09Å; E842-C847 WeakPolarHBondContact OE2-CB 3.17Å; V843-C847 PolarHBondContact O-N 3.03Å; Y844-C847 CarbonylContact O-C 3.6Å; C847-P849 VanDerWaalsContact C-N 3.34Å; C847-L850 HydrophobicContact CB-CB 4.3Å; C847-L850 PolarHBondContact O-N 3.13Å; C847-G851 PolarHBondContact O-N 3.05Å
848	K	89.6	Confident	92.2	Very high	74 Å²	74	36.2 Å²	36.2	32%	0.322	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.2	-175.1	-63.2	-173.2	-175	-175.7	0	113.8	D73 Y844 R852	D73-K848 IonicContact OD2-NZ 3.16Å; D73-K848 PolarHBondContact OD2-NZ 2.89Å; Y844-K848 HydrophobicContact CD2-CB 4.29Å; Y844-K848 WeakPolarHBondContact CD2-O 3.28Å; Y844-K848 HydrophobicContact CE1-CG 4.43Å; Y844-K848 HydrophobicContact CE2-CB 3.69Å; Y844-K848 HydrophobicContact CE2-CG 3.94Å; Y844-K848 WeakPolarHBondContact CE2-O 3.31Å; Y844-K848 WeakPolarHBondContact O-CA 2.9Å; Y844-K848 PolarHBondContact O-N 3.35Å; K848-R852 WeakPolarHBondContact O-CD 3.3Å; K848-R852 VanDerWaalsContact O-CG 3.3Å; K848-R852 WeakPolarHBondContact O-CG 3.48Å
849	P	89.7	Confident	91.9	Very high	50 Å²	50	34.8 Å²	34.8	33%	0.325	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-49	177.9	-25.2	38	0	0	0	114.1	I672 C847 G851 R852	I672-P849 HydrophobicContact CD1-CB 4.26Å; I672-P849 HydrophobicContact CG2-CB 4.18Å; I672-P849 HydrophobicContact CG2-CG 4.01Å; C847-P849 VanDerWaalsContact C-N 3.34Å; P849-G851 VanDerWaalsContact C-N 3.29Å; P849-G851 PolarHBondContact O-N 3.38Å; P849-R852 PolarHBondContact O-N 3.29Å
850	L	92.2	Very high	91.7	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-23.4	-177.9	-68.1	-178	0	0	0	113.7	V652 I672 L754 I762 N792 E842 C847 R852	V652-L850 HydrophobicContact CG2-CD2 3.92Å; I672-L850 HydrophobicContact CD1-CD2 3.7Å; I672-L850 HydrophobicContact CD1-CG 4.04Å; L754-L850 HydrophobicContact CD1-CD1 4.01Å; L754-L850 HydrophobicContact CD1-CD2 4.19Å; L754-L850 HydrophobicContact CD2-CD2 3.81Å; I762-L850 HydrophobicContact CD1-CD1 3.93Å; N792-L850 WeakPolarHBondContact ND2-CD2 3.16Å; E842-L850 HydrophobicContact CB-CB 4.27Å; E842-L850 HydrophobicContact CG-CD1 4.31Å; C847-L850 HydrophobicContact CB-CB 4.3Å; C847-L850 PolarHBondContact O-N 3.13Å; L850-R852 VanDerWaalsContact C-N 3.33Å
851	G	92.7	Very high	91.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	3.3	177.2	0	0	0	0	0	115	E842 C847 P849 T866 V867	E842-G851 WeakPolarHBondContact O-CA 3.29Å; C847-G851 PolarHBondContact O-N 3.05Å; P849-G851 VanDerWaalsContact C-N 3.29Å; P849-G851 PolarHBondContact O-N 3.38Å; G851-T866 CarbonylContact O-C 3.56Å; G851-T866 VanDerWaalsContact O-CA 3.28Å; G851-T866 WeakPolarHBondContact O-CA 3.19Å; G851-V867 PolarHBondContact O-N 3.11Å
852	R	94.2	Very high	91.6	Very high	20 Å²	20	39.5 Å²	39.5	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.1	178.2	-72.5	168.1	-177.8	161.2	6.1	111.1	N72 L540 L541 G542 Y844 K848 P849 L850	N72-R852 PolarHBondContact OD1-NH2 3.06Å; L540-R852 WeakPolarHBondContact O-CD 3.36Å; L541-R852 WeakPolarHBondContact O-CD 3.32Å; L541-R852 PolarHBondContact O-NH1 3.43Å; G542-R852 VanDerWaalsContact CA-NH1 3.29Å; G542-R852 PolarHBondContact O-NH1 3.24Å; Y844-R852 HydrophobicContact CD2-CG 4.09Å; Y844-R852 HydrophobicContact CE2-CG 3.89Å; Y844-R852 PolarHBondContact OH-NH2 3.21Å; K848-R852 WeakPolarHBondContact O-CD 3.3Å; K848-R852 VanDerWaalsContact O-CG 3.3Å; K848-R852 WeakPolarHBondContact O-CG 3.48Å; P849-R852 PolarHBondContact O-N 3.29Å; L850-R852 VanDerWaalsContact C-N 3.33Å
853	F	94.8	Very high	91.7	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	166.7	177.7	66.7	-93.4	0	0	0	112.6	A770 L772 Y789 Y790 L833 L855 G865 V867	A770-F853 HydrophobicContact CB-CE1 3.62Å; A770-F853 HydrophobicContact CB-CZ 3.49Å; A770-F853 VanDerWaalsContact CB-CZ 3.49Å; L772-F853 HydrophobicContact CD2-CE2 3.53Å; L772-F853 HydrophobicContact CD2-CZ 3.52Å; Y789-F853 HydrophobicContact CD2-CB 4.45Å; Y789-F853 AromaticContact CD2-CD2 3.7Å; Y789-F853 HydrophobicContact CD2-CD2 3.7Å; Y789-F853 HydrophobicContact CD2-CE2 4.11Å; Y789-F853 HydrophobicContact CD2-CG 4.16Å; Y789-F853 HydrophobicContact CE1-CB 4.13Å; Y789-F853 HydrophobicContact CE2-CB 3.7Å; Y789-F853 AromaticContact CE2-CD1 3.78Å; Y789-F853 HydrophobicContact CE2-CD1 3.78Å; Y789-F853 AromaticContact CE2-CD2 3.19Å; Y789-F853 HydrophobicContact CE2-CD2 3.19Å; Y789-F853 HydrophobicContact CE2-CE1 4.14Å; Y789-F853 AromaticContact CE2-CE2 3.61Å; Y789-F853 HydrophobicContact CE2-CE2 3.61Å; Y789-F853 AromaticContact CE2-CG 3.27Å; Y789-F853 HydrophobicContact CE2-CG 3.27Å; Y789-F853 HydrophobicContact CE2-CZ 4.05Å; Y789-F853 VanDerWaalsContact CZ-CB 3.48Å; Y789-F853 AromaticContact CZ-CD1 3.88Å; Y789-F853 AromaticContact CZ-CD2 3.92Å; Y789-F853 AromaticContact CZ-CG 3.5Å; Y789-F853 VanDerWaalsContact CZ-CG 3.5Å; Y789-F853 WeakPolarHBondContact OH-CB 3.47Å; Y789-F853 VanDerWaalsContact OH-CD1 3.27Å; Y789-F853 WeakPolarHBondContact OH-CD1 3.49Å; Y789-F853 WeakPolarHBondContact OH-CG 3.46Å; Y790-F853 WeakPolarHBondContact O-CA 3.24Å; Y790-F853 WeakPolarHBondContact O-CB 3.37Å; L833-F853 HydrophobicContact CD1-CE2 3.86Å; L833-F853 HydrophobicContact CD1-CZ 3.87Å; F853-L855 HydrophobicContact CD2-CD2 4.04Å; F853-L855 HydrophobicContact CD2-CG 4.26Å; F853-L855 HydrophobicContact CE2-CD1 4.39Å; F853-L855 HydrophobicContact CE2-CD2 3.96Å; F853-L855 HydrophobicContact CE2-CG 3.99Å; F853-G865 WeakPolarHBondContact CD1-O 3.46Å; F853-G865 VanDerWaalsContact CE1-C 3.47Å; F853-G865 PolarHBondContact N-O 3.41Å; F853-G865 VanDerWaalsContact N-O 3.08Å; F853-G865 PolarHBondContact O-N 3.32Å; F853-V867 HydrophobicContact CD1-CG2 3.86Å; F853-V867 HydrophobicContact CE1-CG2 3.93Å
854	M	94.8	Very high	91.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.6	177.5	-74.1	-62	-48.7	0	0	110.9	I501 L537 L540 L541 F775 Y790 A863 G864	I501-M854 HydrophobicContact CD1-CB 4.29Å; L537-M854 HydrophobicContact CD2-CE 3.6Å; L537-M854 HydrophobicContact CD2-CG 4.1Å; L537-M854 HydrophobicContact CD2-SD 3.97Å; L540-M854 HydrophobicContact CB-SD 3.95Å; L540-M854 HydrophobicContact CD1-CE 4.34Å; L540-M854 HydrophobicContact CD1-SD 3.78Å; L541-M854 HydrophobicContact CD2-CG 3.88Å; L541-M854 HydrophobicContact CG-CG 4.48Å; F775-M854 HydrophobicContact CE2-CE 3.9Å; F775-M854 HydrophobicContact CZ-CE 3.87Å; Y790-M854 PolarHBondContact N-O 3.43Å; Y790-M854 PolarHBondContact O-N 3.08Å; M854-A863 WeakPolarHBondContact CE-O 3.47Å; M854-G864 VanDerWaalsContact SD-CA 3.57Å
855	L	95.3	Very high	91.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.7	172.9	-58.7	-175.9	0	0	0	109.8	L772 V787 I788 Y789 I800 L833 F853 I862 A863	L772-L855 HydrophobicContact CD1-CD1 3.83Å; L772-L855 HydrophobicContact CD2-CD1 3.92Å; V787-L855 HydrophobicContact CB-CD2 4.43Å; V787-L855 HydrophobicContact CG2-CD1 4.34Å; V787-L855 HydrophobicContact CG2-CD2 3.88Å; I788-L855 WeakPolarHBondContact O-CA 3.41Å; Y789-L855 HydrophobicContact CD2-CD2 3.63Å; Y789-L855 HydrophobicContact CG-CD2 4.35Å; I800-L855 HydrophobicContact CD1-CD1 4.39Å; L833-L855 HydrophobicContact CD1-CD2 4.44Å; F853-L855 HydrophobicContact CD2-CD2 4.04Å; F853-L855 HydrophobicContact CD2-CG 4.26Å; F853-L855 HydrophobicContact CE2-CD1 4.39Å; F853-L855 HydrophobicContact CE2-CD2 3.96Å; F853-L855 HydrophobicContact CE2-CG 3.99Å; L855-I862 PolarHBondContact O-N 3.08Å; L855-A863 HydrophobicContact CB-CB 4.41Å; L855-A863 HydrophobicContact CD1-CB 4.32Å; L855-A863 PolarHBondContact N-O 2.92Å; L855-A863 PolarHBondContact O-N 3.04Å
856	R	93.6	Very high	91.8	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.6	172.7	-49.2	-178.9	75.5	94.7	1	111.8	E533 I788 Y790 G859 E860 S861	E533-R856 IonicContact OE1-CZ 2.85Å; E533-R856 VanDerWaalsContact OE1-CZ 3.24Å; E533-R856 IonicContact OE1-NH1 2.78Å; E533-R856 PolarHBondContact OE1-NH1 2.99Å; E533-R856 IonicContact OE1-NH2 3.31Å; E533-R856 PolarHBondContact OE1-NH2 2.86Å; E533-R856 IonicContact OE2-NH2 3.42Å; I788-R856 PolarHBondContact N-O 3.22Å; I788-R856 PolarHBondContact O-N 3.04Å; Y790-R856 HydrophobicContact CD2-CB 4.25Å; Y790-R856 HydrophobicContact CD2-CG 3.8Å; Y790-R856 HydrophobicContact CE2-CB 3.75Å; Y790-R856 HydrophobicContact CE2-CG 3.62Å; R856-G859 PolarHBondContact NH2-O 2.83Å; R856-E860 WeakPolarHBondContact CA-O 3.46Å; R856-E860 VanDerWaalsContact CB-O 3.29Å; R856-E860 WeakPolarHBondContact CB-O 3.24Å; R856-S861 PolarHBondContact NH1-OG 3.41Å
857	V	93.2	Very high	92.1	Very high	45 Å²	45	22.1 Å²	22.1	27%	0.273	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	142.3	167.1	176.3	0	0	0	0	108	Y785 P786 V787 G859 E860 I862	Y785-V857 HydrophobicContact CE1-CG2 3.89Å; P786-V857 WeakPolarHBondContact O-CG2 3.34Å; V787-V857 HydrophobicContact CB-CG2 4.27Å; V787-V857 HydrophobicContact CG1-CG2 3.97Å; V857-G859 PolarHBondContact O-N 3.02Å; V857-G859 VanDerWaalsContact O-N 3.15Å; V857-E860 PolarHBondContact N-O 3.39Å; V857-E860 PolarHBondContact O-N 3.3Å; V857-I862 HydrophobicContact CB-CD1 3.66Å; V857-I862 HydrophobicContact CG2-CD1 3.73Å
858	G	86.6	Confident	92.3	Very high	76 Å²	76	24.4 Å²	24.4	78%	0.784	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	29.5	173.3	0	0	0	0	0	114.9	E860	G858-E860 VanDerWaalsContact C-N 3.25Å; G858-E860 PolarHBondContact O-N 3.47Å
859	G	85	Confident	92.5	Very high	38 Å²	38	27.5 Å²	27.5	39%	0.392	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-2.1	-174.6	0	0	0	0	0	114.9	R856 V857	R856-G859 PolarHBondContact NH2-O 2.83Å; V857-G859 PolarHBondContact O-N 3.02Å; V857-G859 VanDerWaalsContact O-N 3.15Å
860	E	87.7	Confident	92.7	Very high	87 Å²	87	27.4 Å²	27.4	41%	0.407	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.9	-178.6	-51.7	-149.5	135.8	0	0	112.7	K494 R856 V857 G858 I862	K494-E860 IonicContact NZ-OE1 3.45Å; K494-E860 PolarHBondContact NZ-OE1 3.04Å; R856-E860 WeakPolarHBondContact CA-O 3.46Å; R856-E860 VanDerWaalsContact CB-O 3.29Å; R856-E860 WeakPolarHBondContact CB-O 3.24Å; V857-E860 PolarHBondContact N-O 3.39Å; V857-E860 PolarHBondContact O-N 3.3Å; G858-E860 VanDerWaalsContact C-N 3.25Å; G858-E860 PolarHBondContact O-N 3.47Å; E860-I862 PolarHBondContact O-N 2.92Å
861	S	90.4	Very high	92.6	Very high	16 Å²	16	29.5 Å²	29.5	11%	0.112	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	119.5	172	-64.6	0	0	0	0	110.8	E533 F775 R856	E533-S861 PolarHBondContact OE1-OG 2.84Å; F775-S861 VanDerWaalsContact CD2-O 3.28Å; F775-S861 WeakPolarHBondContact CD2-O 3.03Å; R856-S861 PolarHBondContact NH1-OG 3.41Å
862	I	92.5	Very high	91.9	Very high	10 Å²	10	34 Å²	34	5%	0.051	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-43.4	-177.3	-76	-168.6	0	0	0	112.3	F775 I777 I781 Y785 L855 V857 E860	F775-I862 WeakPolarHBondContact CB-O 3.29Å; F775-I862 WeakPolarHBondContact CG-O 3.25Å; F775-I862 PolarHBondContact N-O 2.9Å; I777-I862 HydrophobicContact CD1-CG2 4.27Å; I777-I862 HydrophobicContact CG2-CB 4.22Å; I777-I862 HydrophobicContact CG2-CG1 4.03Å; I777-I862 HydrophobicContact CG2-CG2 4.2Å; I781-I862 HydrophobicContact CD1-CG2 3.58Å; I781-I862 HydrophobicContact CG1-CG2 4.09Å; Y785-I862 HydrophobicContact CE1-CD1 3.77Å; L855-I862 PolarHBondContact O-N 3.08Å; V857-I862 HydrophobicContact CB-CD1 3.66Å; V857-I862 HydrophobicContact CG2-CD1 3.73Å; E860-I862 PolarHBondContact O-N 2.92Å
863	A	93.6	Very high	90.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	150.7	-178.4	0	0	0	0	0	111.4	L772 L773 M854 L855	L772-A863 HydrophobicContact CB-CB 4.46Å; L772-A863 HydrophobicContact CD1-CB 4.47Å; L773-A863 WeakPolarHBondContact O-CA 3.42Å; L773-A863 WeakPolarHBondContact O-CB 3.18Å; M854-A863 WeakPolarHBondContact CE-O 3.47Å; L855-A863 HydrophobicContact CB-CB 4.41Å; L855-A863 HydrophobicContact CD1-CB 4.32Å; L855-A863 PolarHBondContact N-O 2.92Å; L855-A863 PolarHBondContact O-N 3.04Å
864	G	93.6	Very high	88.6	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	157.6	160	0	0	0	0	0	109.8	L772 L773 F775 M854	L772-G864 CarbonylContact C-O 3.55Å; L772-G864 WeakPolarHBondContact CA-O 3.35Å; L773-G864 PolarHBondContact N-O 3.28Å; L773-G864 PolarHBondContact O-N 3.07Å; L773-G864 VanDerWaalsContact O-N 3.16Å; F775-G864 VanDerWaalsContact CZ-N 3.31Å; M854-G864 VanDerWaalsContact SD-CA 3.57Å
865	G	93.6	Very high	86.5	Confident	9 Å²	9	53.4 Å²	53.4	9%	0.093	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	161.1	-179.1	0	0	0	0	0	115.7	K771 F853	K771-G865 CarbonylContact O-C 3.57Å; K771-G865 WeakPolarHBondContact O-CA 3.46Å; F853-G865 WeakPolarHBondContact CD1-O 3.46Å; F853-G865 VanDerWaalsContact CE1-C 3.47Å; F853-G865 PolarHBondContact N-O 3.41Å; F853-G865 VanDerWaalsContact N-O 3.08Å; F853-G865 PolarHBondContact O-N 3.32Å
866	T	95.1	Very high	84	Confident	19 Å²	19	60.6 Å²	60.6	12%	0.117	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.6	171.7	51.7	0	0	0	0	111.3	P70 A770 K771 Y844 G851 T868	P70-T866 HydrophobicContact CB-CG2 3.91Å; P70-T866 HydrophobicContact CG-CG2 4.47Å; A770-T866 CarbonylContact C-O 3.55Å; A770-T866 VanDerWaalsContact CA-O 3.22Å; A770-T866 WeakPolarHBondContact CA-O 3.45Å; A770-T866 VanDerWaalsContact CB-O 3.3Å; A770-T866 WeakPolarHBondContact CB-O 3.48Å; K771-T866 PolarHBondContact N-O 3.18Å; K771-T866 PolarHBondContact O-N 2.76Å; Y844-T866 HydrophobicContact CD1-CG2 4.24Å; Y844-T866 HydrophobicContact CD2-CG2 3.85Å; Y844-T866 HydrophobicContact CE2-CG2 4.2Å; Y844-T866 HydrophobicContact CG-CG2 3.89Å; G851-T866 CarbonylContact O-C 3.56Å; G851-T866 VanDerWaalsContact O-CA 3.28Å; G851-T866 WeakPolarHBondContact O-CA 3.19Å; T866-T868 PolarHBondContact O-N 2.89Å
867	V	95.7	Very high	81.4	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.006	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.3	179.7	-176.6	0	0	0	0	109.4	I768 I841 E842 Y844 G851 F853	I768-V867 HydrophobicContact CD1-CG1 4.38Å; I768-V867 HydrophobicContact CD1-CG2 3.98Å; I841-V867 HydrophobicContact CG2-CB 4.32Å; I841-V867 HydrophobicContact CG2-CG1 4.08Å; I841-V867 HydrophobicContact CG2-CG2 3.69Å; E842-V867 WeakPolarHBondContact O-CB 3.37Å; Y844-V867 WeakPolarHBondContact CB-O 3.26Å; Y844-V867 PolarHBondContact N-O 2.95Å; G851-V867 PolarHBondContact O-N 3.11Å; F853-V867 HydrophobicContact CD1-CG2 3.86Å; F853-V867 HydrophobicContact CE1-CG2 3.93Å
868	T	95.2	Very high	78.7	Confident	57 Å²	57	68.4 Å²	68.4	35%	0.35	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-33.2	-177.8	55.6	0	0	0	0	112.9	S769 K771 T866	S769-T868 PolarHBondContact O-N 3.06Å; S769-T868 PolarHBondContact O-OG1 3.22Å; S769-T868 VanDerWaalsContact O-OG1 3.1Å; K771-T868 HydrophobicContact CB-CG2 4.07Å; T866-T868 PolarHBondContact O-N 2.89Å
869	K	94.2	Very high	76	Confident	139 Å²	139	72.6 Å²	72.6	60%	0.604	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.5	130.8	176	179.6	168.2	-177.6	169.9	0	111.8	S769	S769-K869 PolarHBondContact N-O 2.99Å; S769-K869 PolarHBondContact O-N 3.33Å; S769-K869 VanDerWaalsContact O-N 3.1Å
870	I	92.6	Very high	75.6	Confident	48 Å²	48	74.3 Å²	74.3	25%	0.246	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.1	169.6	-56.7	167.8	0	0	0	108.4	I841 V843	I841-I870 VanDerWaalsContact O-CD1 3.23Å; I841-I870 WeakPolarHBondContact O-CD1 3.45Å; V843-I870 HydrophobicContact CG2-CD1 4.34Å; V843-I870 HydrophobicContact CG2-CG1 4.18Å
871	I	89.5	Confident	75	Confident	47 Å²	47	73.6 Å²	73.6	24%	0.241	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	111.3	179.5	-55.9	174.7	0	0	0	107.8	C767 E832	C767-I871 HydrophobicContact CB-CB 3.97Å; C767-I871 HydrophobicContact CB-CG2 4.34Å; C767-I871 WeakPolarHBondContact O-CB 3.39Å; C767-I871 PolarHBondContact O-N 2.9Å; E832-I871 HydrophobicContact CG-CD1 4.02Å
872	P	79.2	Confident	74.1	Confident	93 Å²	93	76.8 Å²	76.8	60%	0.604	43%	0.427	S	S	*	.			trans	-62.1	143.8	177.4	26.3	-33.9	0	0	0	110.2	K874	P872-K874 PolarHBondContact O-N 3.06Å
873	S	66.4	Low	73	Confident	52 Å²	52	80.8 Å²	80.8	36%	0.364	45%	0.449	S	S	.	.			trans	-67.9	135.5	178	94.9	0	0	0	0	109.4	K875	S873-K875 PolarHBondContact O-N 3.28Å
874	K	53.4	Low	71.7	Confident	196 Å²	196	85.8 Å²	85.8	85%	0.852	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	11.7	-173.8	-79.2	-167.2	171.4	-166.3	0	115.4	P872	P872-K874 PolarHBondContact O-N 3.06Å
875	K	50.1	Low	70.3	Confident	183 Å²	183	91.5 Å²	91.5	80%	0.796	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-14.1	-177	-73.4	-170.6	173.9	-175.4	0	114.4	S873	S873-K875 PolarHBondContact O-N 3.28Å
876	E	42.7	Very low	68.6	Low	150 Å²	150	97.4 Å²	97.4	70%	0.701	54%	0.537	S	S	*	.	S	Bend	trans	-100.6	-7.7	-175.5	-68	173.8	169	0	0	114.1	S878 S879	E876-S878 VanDerWaalsContact C-N 3.3Å; E876-S878 PolarHBondContact O-N 3.42Å; E876-S879 PolarHBondContact O-OG 3.4Å
877	S	38.1	Very low	66.6	Low	104 Å²	104	103.4 Å²	103.4	73%	0.727	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	28.1	-179.3	72.6	0	0	0	0	113.7
878	S	36.8	Very low	64.1	Low	111 Å²	111	111.9 Å²	111.9	78%	0.776	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	21.7	178.9	62.3	0	0	0	0	113.2	E876	E876-S878 VanDerWaalsContact C-N 3.3Å; E876-S878 PolarHBondContact O-N 3.42Å
879	S	31.4	Very low	61.3	Low	163 Å²	163	116.9 Å²	116.9	100%	1.14	64%	0.641	S	S	*	*			trans	-121.3	0	165.2	56.2	0	0	0	0	108.2	E876	E876-S879 PolarHBondContact O-OG 3.4Å

Retrieved 879 of 879 residues in 1199.2 ms (Link to these results)

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