A0A087WZU3_HUMAN Loading...

Ankyrin 2

AlphaFold DB , UniProt , Accession A0A087WZU3, Species HUMAN (Homo sapiens, Human), Gene ANK2, Length 938 aa.

						>A0A087WZU3_HUMAN|A0A087WZU3|ANK2
VGEQISKVIITKTDVDSDSWSEIREDDEAFEARVKEEEQKIFGLMVDRQSQGTTPDTTPARTPTEEGTPTSEQNPFLFQEGKLFEMTRSGAIDMTKRSYADESFHFFQIGQESREETLSEDVKEGATGADPLPLETSAESLALSESKETVDDEADLLPDDVSEEVEEIPASDAQLNSQMGISASTETPTKEAVSVGTKDLPTVQTGDIPPLSGVKQISCPDSSEPAVQVQLDFSTLTRSVYSDRGDDSPDSSPEEQKSVIEIPTAPMENVPFTESKSKIPVRTMPTSTPAPPSAEYESSVSEDFLSSVDEENKADEAKPKSKLPVKVPLQRVEQQLSDLDTSVQKTVAPQGQDMASIAPDNRSKSESDASSLDSKTKCPVKTRSYTETETESRERAEELELESEEGATRPKILTSRLPVKSRSTTSSCRGGTSPTKESKEHFFDLYRNSIEFFEEISDEASKLVDRLTQSEREQEIVSDDESSSALEVSVIENLPPVETEHSVPEDIFDTRPIWDESIETLIERIPDENGHDHAEDPQDEQERIEERLAYIADHLGFSWTELARELDFTEEQIHQIRIENPNSLQDQSHALLKYWLERDGKHATDTNLVECLTKINRMDIVHLMETNTEPLQERISHSYAEIEQTITLDHSEGFSVLQEELCTAQHKQKEEQAVSKESETCDHPPIVSEEDISVGYSTFQDGVPKTEGDSSATALFPQTHKEQVQQDFSGKMQDLPEESSLEYQQEYFVTTPGTETSETQKAMIVPSSPSKTPEEVSTPAEEEKLYLQTPTSSERGGSPIIQEPEEPSEHREESSPRKTSLVIVESADNQPETCERLDEDAAFEKGDDMPEIPPETVTEEEYIDEHGHTVVKKVTRKIIRRYVSSEGTEKEEIMVQGMPQEPVNIEEGDGYSKVIKRVVLKSDTEQSEVRQPDSLKPI
					

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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	V	37.5	Very low	39.1	Very low	209 Å²	209	123.6 Å²	123.6	100%	1.267	69%	0.685	S	S	*	*				0	111	0	-176.2	0	0	0	0	105.3
2	G	40	Very low	40.3	Very low	55 Å²	55	130.8 Å²	130.8	57%	0.567	70%	0.704	S	S	*	*			cis	-168.7	163.1	-4.4	0	0	0	0	0	110.9
3	E	39.8	Very low	39.9	Very low	181 Å²	181	131.8 Å²	131.8	85%	0.846	72%	0.717	S	S	*	*			trans	69.9	148.3	155	-60.1	159.2	173.3	0	0	117.6
4	Q	39.8	Very low	40	Very low	152 Å²	152	133 Å²	133	71%	0.71	72%	0.723	S	S	*	*			cis	-151.8	132.5	-46.1	-142.2	149.5	-10.7	0	0	110.4
5	I	45.3	Very low	40.6	Very low	64 Å²	64	130.9 Å²	130.9	33%	0.328	72%	0.716	S	S	.	*			trans	22.4	121.9	139.2	-36.7	171.6	0	0	0	115.4	E389 T390 E391	I5-E389 VanDerWaalsContact O-OE1 3.08Å; I5-T390 HydrophobicContact CG2-CG2 4Å; I5-E391 HydrophobicContact CB-CG 4.32Å; I5-E391 WeakPolarHBondContact CG1-OE2 3.08Å; I5-E391 HydrophobicContact CG2-CB 3.49Å; I5-E391 VanDerWaalsContact CG2-CB 3.49Å; I5-E391 HydrophobicContact CG2-CG 3.61Å
6	S	32.7	Very low	40.3	Very low	49 Å²	49	133 Å²	133	34%	0.343	73%	0.726	S	S	.	*				179.6	166.5	81.7	-68.3	0	0	0	0	120.6	E389 T390	S6-E389 VanDerWaalsContact CB-CB 3.46Å; S6-E389 WeakPolarHBondContact CB-OE1 3.13Å; S6-E389 VanDerWaalsContact OG-CB 3.23Å; S6-E389 WeakPolarHBondContact OG-CB 3.1Å; S6-T390 WeakPolarHBondContact OG-CA 3.28Å; S6-T390 PolarHBondContact OG-N 3.38Å
7	K	45.7	Very low	40.9	Very low	110 Å²	110	131.5 Å²	131.5	48%	0.478	73%	0.727	S	S	.	*			trans	-96.9	172.5	157.1	-73.7	178.1	173.6	175.4	0	110.9	T390 S392 R393	K7-T390 CarbonylContact C-O 3.55Å; K7-T390 WeakPolarHBondContact CB-O 3.24Å; K7-T390 PolarHBondContact N-O 3.33Å; K7-T390 CarbonylContact O-C 3.44Å; K7-T390 PolarHBondContact O-N 3.36Å; K7-T390 VanDerWaalsContact O-O 3.14Å; K7-S392 VanDerWaalsContact CE-O 3.27Å; K7-S392 WeakPolarHBondContact CE-O 3.36Å; K7-S392 PolarHBondContact NZ-O 2.77Å; K7-R393 PolarHBondContact NZ-O 2.78Å; K7-R393 VanDerWaalsContact NZ-O 3.15Å
8	V	37.8	Very low	41.4	Very low	120 Å²	120	132.4 Å²	132.4	73%	0.727	73%	0.731	S	S	*	*			trans	-129.4	156.6	159.4	173.9	0	0	0	0	110.1
9	I	38.3	Very low	41.7	Very low	136 Å²	136	131.3 Å²	131.3	70%	0.697	73%	0.734	S	S	*	*			trans	-113.1	134.4	-172	-60.3	167.2	0	0	0	110.4	T11	I9-T11 HydrophobicContact CG2-CG2 4.22Å
10	I	38.8	Very low	42	Very low	174 Å²	174	135.8 Å²	135.8	89%	0.892	74%	0.739	S	S	*	*			trans	-90.4	115.3	168.9	-58.7	177	0	0	0	109.6
11	T	34.9	Very low	42.2	Very low	110 Å²	110	133.2 Å²	133.2	68%	0.675	73%	0.731	S	S	*	*			trans	-104.9	135.7	170.8	51.8	0	0	0	0	111.1	I9	I9-T11 HydrophobicContact CG2-CG2 4.22Å
12	K	52.7	Low	42.6	Very low	210 Å²	210	131.8 Å²	131.8	91%	0.913	71%	0.71	S	S	*	*			trans	-66.9	136.8	170.1	-70.4	-170.2	174.3	-169	0	111.5
13	T	36	Very low	42.8	Very low	144 Å²	144	135.7 Å²	135.7	88%	0.883	72%	0.717	S	S	*	*			trans	-129.8	169.2	153.5	41.9	0	0	0	0	109.6
14	D	41.4	Very low	43.6	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	71%	0.708	S	S	*	*			trans	-122.4	155.4	-157.1	-173	34.1	0	0	0	111.5
15	V	49	Very low	44.2	Very low	102 Å²	102	136.1 Å²	136.1	62%	0.618	71%	0.711	S	S	*	*			trans	50.6	121.7	169	169.9	0	0	0	0	118.6
16	D	35.2	Very low	44.8	Very low	164 Å²	164	138.2 Å²	138.2	88%	0.877	72%	0.723	S	S	*	*				-155.9	101.1	122.5	-100.7	-29.2	0	0	0	109.1
17	S	51.3	Low	46.6	Very low	107 Å²	107	140 Å²	140	75%	0.748	73%	0.729	S	S	*	*			trans	-123.6	75.5	-176.1	-67.7	0	0	0	0	111.4
18	D	50	Low	48.1	Very low	148 Å²	148	142.3 Å²	142.3	79%	0.791	74%	0.742	S	S	*	*			trans	-175.4	88.9	155	-100.2	-32.3	0	0	0	110.2
19	S	45.9	Very low	49.8	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	72%	0.723	S	S	*	*	S	Bend	trans	-151.5	22.5	175.2	-163	0	0	0	0	114.1
20	W	47.2	Very low	51.4	Low	221 Å²	221	138.5 Å²	138.5	84%	0.837	72%	0.718	S	S	*	*	S	Bend	trans	-125.5	1	-180	-73.1	100.3	0	0	0	113.7
21	S	47.9	Very low	53.3	Low	82 Å²	82	135.7 Å²	135.7	57%	0.573	70%	0.701	S	S	*	*	S	Bend	trans	-87.1	-24.5	-173.3	-54.8	0	0	0	0	113.7
22	E	45	Very low	55.6	Low	178 Å²	178	133.1 Å²	133.1	83%	0.832	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-82.1	-14.6	-170.8	-162.6	164.7	173.4	0	0	113.6	R24	E22-R24 PolarHBondContact O-N 2.87Å
23	I	45.3	Very low	56.9	Low	138 Å²	138	129.5 Å²	129.5	71%	0.708	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-79	-4.6	179.8	-127.3	165.9	0	0	0	113.4
24	R	56.3	Low	59.4	Low	173 Å²	173	125.7 Å²	125.7	65%	0.653	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-102	-1	-170.9	-60	-165.3	65	-157.9	-5.8	115.4	E22 D27	E22-R24 PolarHBondContact O-N 2.87Å; R24-D27 IonicContact NE-OD2 2.79Å
25	E	52.7	Low	61.4	Low	169 Å²	169	123.4 Å²	123.4	79%	0.79	63%	0.631	S	S	*	*	H	α-helix	trans	-77.6	-22.1	179.9	-63.4	-160.8	155.6	0	0	113.2
26	D	57.6	Low	63.1	Low	107 Å²	107	125.1 Å²	125.1	57%	0.572	63%	0.633	S	S	*	*	H	α-helix	trans	-81.2	-16.4	176.1	-129.5	-37.4	0	0	0	112.6	E28 A29 F30 R33	D26-E28 PolarHBondContact O-N 3.31Å; D26-A29 CarbonylContact O-C 3.41Å; D26-A29 PolarHBondContact O-N 3.01Å; D26-F30 WeakPolarHBondContact O-CB 3.32Å; D26-F30 PolarHBondContact O-N 2.94Å; D26-R33 IonicContact OD1-CZ 2.85Å; D26-R33 IonicContact OD1-NH2 3.79Å; D26-R33 PolarHBondContact OD1-NH2 3.33Å
27	D	70.4	Confident	65.3	Low	88 Å²	88	122.6 Å²	122.6	47%	0.471	62%	0.616	S	S	.	*	H	α-helix	trans	-56.6	-49.8	177.2	-74.3	-21.2	0	0	0	111.1	R24 A29 F30 E31	R24-D27 IonicContact NE-OD2 2.79Å; D27-A29 VanDerWaalsContact C-N 3.35Å; D27-F30 WeakPolarHBondContact O-CB 3.49Å; D27-F30 PolarHBondContact O-N 2.95Å; D27-E31 PolarHBondContact O-N 2.98Å
28	E	76.7	Confident	66.7	Low	158 Å²	158	122.8 Å²	122.8	74%	0.738	61%	0.605	S	S	*	*	H	α-helix	trans	-73.6	-28.4	-179.8	-171.2	163.7	-169	0	0	111.7	D26 F30 A32	D26-E28 PolarHBondContact O-N 3.31Å; E28-F30 VanDerWaalsContact C-N 3.33Å; E28-A32 WeakPolarHBondContact O-CB 2.89Å; E28-A32 PolarHBondContact O-N 2.82Å
29	A	73.9	Confident	68.1	Low	42 Å²	42	122.3 Å²	122.3	35%	0.347	60%	0.598	S	S	.	*	H	α-helix	trans	-69.6	-30.7	170.5	0	0	0	0	0	112.1	D26 D27 R33	D26-A29 CarbonylContact O-C 3.41Å; D26-A29 PolarHBondContact O-N 3.01Å; D27-A29 VanDerWaalsContact C-N 3.35Å; A29-R33 WeakPolarHBondContact O-CG 3.42Å; A29-R33 PolarHBondContact O-N 2.74Å; A29-R33 PolarHBondContact O-NE 3.31Å; A29-R33 PolarHBondContact O-NH2 3.31Å
30	F	71.6	Confident	69.8	Low	133 Å²	133	123.1 Å²	123.1	58%	0.583	59%	0.587	S	S	*	*	H	α-helix	trans	-74.5	-48.6	173	-173.6	-96.7	0	0	0	111.2	D26 D27 E28 A32 R33 V34	D26-F30 WeakPolarHBondContact O-CB 3.32Å; D26-F30 PolarHBondContact O-N 2.94Å; D27-F30 WeakPolarHBondContact O-CB 3.49Å; D27-F30 PolarHBondContact O-N 2.95Å; E28-F30 VanDerWaalsContact C-N 3.33Å; F30-A32 VanDerWaalsContact C-N 3.27Å; F30-A32 PolarHBondContact O-N 3.45Å; F30-R33 PolarHBondContact O-N 3.37Å; F30-R33 VanDerWaalsContact O-N 3.08Å; F30-V34 HydrophobicContact CD1-CG2 4.05Å; F30-V34 HydrophobicContact CE1-CG2 3.72Å; F30-V34 HydrophobicContact CZ-CG2 4.04Å; F30-V34 WeakPolarHBondContact O-CG2 3.3Å; F30-V34 PolarHBondContact O-N 3.35Å
31	E	79.5	Confident	71.1	Confident	115 Å²	115	117 Å²	117	54%	0.537	57%	0.57	S	S	.	*	H	α-helix	trans	-53.9	-42.6	171.7	-96	-151.2	-149.5	0	0	112	D27 R33 V34 K35	D27-E31 PolarHBondContact O-N 2.98Å; E31-R33 PolarHBondContact O-N 2.95Å; E31-V34 PolarHBondContact O-N 3.29Å; E31-K35 WeakPolarHBondContact O-CB 3.34Å; E31-K35 PolarHBondContact O-N 3.4Å; E31-K35 IonicContact OE2-NZ 3.2Å; E31-K35 PolarHBondContact OE2-NZ 2.69Å; E31-K35 VanDerWaalsContact OE2-NZ 3.15Å
32	A	81.8	Confident	71.8	Confident	57 Å²	57	119.4 Å²	119.4	47%	0.471	57%	0.57	S	S	.	*	H	α-helix	trans	-62.5	-41.1	177.4	0	0	0	0	0	112.4	E28 F30 E36	E28-A32 WeakPolarHBondContact O-CB 2.89Å; E28-A32 PolarHBondContact O-N 2.82Å; F30-A32 VanDerWaalsContact C-N 3.27Å; F30-A32 PolarHBondContact O-N 3.45Å; A32-E36 WeakPolarHBondContact O-CB 3.36Å; A32-E36 PolarHBondContact O-N 2.87Å
33	R	81.3	Confident	72.8	Confident	134 Å²	134	112.8 Å²	112.8	51%	0.506	55%	0.549	S	S	.	.	H	α-helix	trans	-66	-46	176.1	-80.5	172.4	-82.2	-174.2	-6.3	111.8	D26 A29 F30 E31 E36 E37	D26-R33 IonicContact OD1-CZ 2.85Å; D26-R33 IonicContact OD1-NH2 3.79Å; D26-R33 PolarHBondContact OD1-NH2 3.33Å; A29-R33 WeakPolarHBondContact O-CG 3.42Å; A29-R33 PolarHBondContact O-N 2.74Å; A29-R33 PolarHBondContact O-NE 3.31Å; A29-R33 PolarHBondContact O-NH2 3.31Å; F30-R33 PolarHBondContact O-N 3.37Å; F30-R33 VanDerWaalsContact O-N 3.08Å; E31-R33 PolarHBondContact O-N 2.95Å; R33-E36 PolarHBondContact O-N 3.36Å; R33-E37 PolarHBondContact O-N 2.98Å
34	V	87.3	Confident	73.3	Confident	63 Å²	63	112.2 Å²	112.2	38%	0.382	55%	0.547	S	S	.	.	H	α-helix	trans	-60.7	-46	175.7	172.8	0	0	0	0	110.8	F30 E31 E36 E37 E38	F30-V34 HydrophobicContact CD1-CG2 4.05Å; F30-V34 HydrophobicContact CE1-CG2 3.72Å; F30-V34 HydrophobicContact CZ-CG2 4.04Å; F30-V34 WeakPolarHBondContact O-CG2 3.3Å; F30-V34 PolarHBondContact O-N 3.35Å; E31-V34 PolarHBondContact O-N 3.29Å; V34-E36 PolarHBondContact O-N 3.21Å; V34-E37 PolarHBondContact O-N 3.38Å; V34-E37 VanDerWaalsContact O-N 3.15Å; V34-E38 WeakPolarHBondContact O-CG 3.09Å; V34-E38 PolarHBondContact O-N 2.82Å
35	K	84.6	Confident	73.2	Confident	100 Å²	100	109 Å²	109	44%	0.435	54%	0.541	S	S	.	.	H	α-helix	trans	-69.5	-29.4	-179.4	-172.8	174.8	-85.6	134.3	0	112.8	E31 Q39	E31-K35 WeakPolarHBondContact O-CB 3.34Å; E31-K35 PolarHBondContact O-N 3.4Å; E31-K35 IonicContact OE2-NZ 3.2Å; E31-K35 PolarHBondContact OE2-NZ 2.69Å; E31-K35 VanDerWaalsContact OE2-NZ 3.15Å; K35-Q39 WeakPolarHBondContact O-CB 3.4Å; K35-Q39 WeakPolarHBondContact O-CG 3.46Å; K35-Q39 PolarHBondContact O-N 3.36Å
36	E	84.6	Confident	73.3	Confident	139 Å²	139	105.8 Å²	105.8	65%	0.65	53%	0.532	S	S	*	.	H	α-helix	trans	-67.9	-43.5	167.7	-176.4	178.5	-176.2	0	0	111.2	A32 R33 V34 Q39 K40	A32-E36 WeakPolarHBondContact O-CB 3.36Å; A32-E36 PolarHBondContact O-N 2.87Å; R33-E36 PolarHBondContact O-N 3.36Å; V34-E36 PolarHBondContact O-N 3.21Å; E36-Q39 PolarHBondContact O-N 3.38Å; E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 PolarHBondContact O-N 2.68Å
37	E	79.8	Confident	72.8	Confident	111 Å²	111	107.2 Å²	107.2	52%	0.519	54%	0.54	S	S	.	.	H	α-helix	trans	-65.4	-42.9	178	-175.6	143.9	-116.3	0	0	112.6	R33 V34 K40 I41	R33-E37 PolarHBondContact O-N 2.98Å; V34-E37 PolarHBondContact O-N 3.38Å; V34-E37 VanDerWaalsContact O-N 3.15Å; E37-K40 WeakPolarHBondContact O-CB 3.44Å; E37-K40 PolarHBondContact O-N 3.41Å; E37-I41 HydrophobicContact CG-CD1 4.12Å; E37-I41 VanDerWaalsContact O-CG1 3.3Å; E37-I41 WeakPolarHBondContact O-CG1 3.22Å; E37-I41 PolarHBondContact O-N 3.46Å
38	E	82.4	Confident	71.9	Confident	111 Å²	111	114 Å²	114	52%	0.519	56%	0.559	S	S	.	*	H	α-helix	trans	-57.5	-49.5	171.1	-73.3	-172.8	145.3	0	0	111.8	V34 K40 I41 F42	V34-E38 WeakPolarHBondContact O-CG 3.09Å; V34-E38 PolarHBondContact O-N 2.82Å; E38-K40 VanDerWaalsContact C-N 3.29Å; E38-K40 PolarHBondContact O-N 2.78Å; E38-I41 PolarHBondContact O-N 3Å; E38-F42 WeakPolarHBondContact O-CD2 3.35Å; E38-F42 PolarHBondContact O-N 3.37Å
39	Q	78.3	Confident	70.6	Confident	138 Å²	138	115 Å²	115	65%	0.645	56%	0.563	S	S	*	*	H	α-helix	trans	-64.8	-33.3	179.7	-74.7	-174.2	23.5	0	0	112.7	K35 E36 F42 G43	K35-Q39 WeakPolarHBondContact O-CB 3.4Å; K35-Q39 WeakPolarHBondContact O-CG 3.46Å; K35-Q39 PolarHBondContact O-N 3.36Å; E36-Q39 PolarHBondContact O-N 3.38Å; Q39-F42 PolarHBondContact O-N 3.08Å; Q39-G43 PolarHBondContact O-N 3.07Å
40	K	81.4	Confident	69.3	Low	129 Å²	129	117.2 Å²	117.2	56%	0.561	58%	0.576	S	S	*	*	H	α-helix	trans	-66.3	-39.7	173.2	176.9	-175.4	172.8	-163.5	0	111.9	E36 E37 E38 L44	E36-K40 WeakPolarHBondContact O-CB 3.4Å; E36-K40 PolarHBondContact O-N 2.68Å; E37-K40 WeakPolarHBondContact O-CB 3.44Å; E37-K40 PolarHBondContact O-N 3.41Å; E38-K40 VanDerWaalsContact C-N 3.29Å; E38-K40 PolarHBondContact O-N 2.78Å; K40-L44 PolarHBondContact O-N 3.08Å; K40-L44 VanDerWaalsContact O-N 3.08Å
41	I	75.3	Confident	68	Low	92 Å²	92	120.1 Å²	120.1	47%	0.472	59%	0.592	S	S	.	*	H	α-helix	trans	-65.5	-46	172.7	-68.5	162.5	0	0	0	110.7	E37 E38 G43 L44 M45	E37-I41 HydrophobicContact CG-CD1 4.12Å; E37-I41 VanDerWaalsContact O-CG1 3.3Å; E37-I41 WeakPolarHBondContact O-CG1 3.22Å; E37-I41 PolarHBondContact O-N 3.46Å; E38-I41 PolarHBondContact O-N 3Å; I41-G43 PolarHBondContact O-N 3.48Å; I41-L44 PolarHBondContact O-N 2.81Å; I41-M45 HydrophobicContact CG2-CE 4.37Å; I41-M45 PolarHBondContact O-N 2.67Å; I41-M45 VanDerWaalsContact O-N 3.12Å
42	F	61.6	Low	66.4	Low	133 Å²	133	118 Å²	118	58%	0.583	60%	0.602	S	S	*	*	H	α-helix	trans	-62.3	-40.6	175.8	-89.1	-77.4	0	0	0	112.7	E38 Q39 L44 M45 V46	E38-F42 WeakPolarHBondContact O-CD2 3.35Å; E38-F42 PolarHBondContact O-N 3.37Å; Q39-F42 PolarHBondContact O-N 3.08Å; F42-L44 PolarHBondContact O-N 3.34Å; F42-M45 HydrophobicContact CD1-CE 3.63Å; F42-M45 HydrophobicContact CE1-CE 3.79Å; F42-M45 HydrophobicContact CG-CE 4.09Å; F42-M45 HydrophobicContact CZ-CE 4.36Å; F42-M45 PolarHBondContact O-N 2.98Å; F42-V46 WeakPolarHBondContact O-CG2 3.36Å; F42-V46 PolarHBondContact O-N 2.98Å; F42-V46 VanDerWaalsContact O-N 3.14Å
43	G	66.4	Low	64.2	Low	38 Å²	38	122.3 Å²	122.3	39%	0.392	62%	0.622	S	S	.	*	H	α-helix	trans	-59.3	-45	173.6	0	0	0	0	0	112.7	Q39 I41 M45 V46 D47	Q39-G43 PolarHBondContact O-N 3.07Å; I41-G43 PolarHBondContact O-N 3.48Å; G43-M45 VanDerWaalsContact C-N 3.26Å; G43-M45 PolarHBondContact O-N 3.19Å; G43-V46 PolarHBondContact O-N 2.99Å; G43-D47 PolarHBondContact O-N 3.39Å
44	L	56.2	Low	62.1	Low	127 Å²	127	122.4 Å²	122.4	67%	0.665	64%	0.638	S	S	*	*	H	α-helix	trans	-62.6	-27.7	176	-88.9	159.7	0	0	0	113.9	K40 I41 F42	K40-L44 PolarHBondContact O-N 3.08Å; K40-L44 VanDerWaalsContact O-N 3.08Å; I41-L44 PolarHBondContact O-N 2.81Å; F42-L44 PolarHBondContact O-N 3.34Å
45	M	54.6	Low	60.3	Low	106 Å²	106	125.6 Å²	125.6	52%	0.522	66%	0.66	S	S	.	*	H	α-helix	trans	-76.8	-40.4	173.6	-70.5	-167.2	-71.2	0	0	112.8	I41 F42 G43 D47 R48	I41-M45 HydrophobicContact CG2-CE 4.37Å; I41-M45 PolarHBondContact O-N 2.67Å; I41-M45 VanDerWaalsContact O-N 3.12Å; F42-M45 HydrophobicContact CD1-CE 3.63Å; F42-M45 HydrophobicContact CE1-CE 3.79Å; F42-M45 HydrophobicContact CG-CE 4.09Å; F42-M45 HydrophobicContact CZ-CE 4.36Å; F42-M45 PolarHBondContact O-N 2.98Å; G43-M45 VanDerWaalsContact C-N 3.26Å; G43-M45 PolarHBondContact O-N 3.19Å; M45-D47 PolarHBondContact O-N 3.22Å; M45-R48 PolarHBondContact O-N 3.47Å
46	V	54.4	Low	57.9	Low	100 Å²	100	127.7 Å²	127.7	61%	0.606	68%	0.676	S	S	*	*	H	α-helix	trans	-64.2	-40.1	-176.3	170.7	0	0	0	0	112.2	F42 G43 R48 Q49	F42-V46 WeakPolarHBondContact O-CG2 3.36Å; F42-V46 PolarHBondContact O-N 2.98Å; F42-V46 VanDerWaalsContact O-N 3.14Å; G43-V46 PolarHBondContact O-N 2.99Å; V46-R48 PolarHBondContact O-N 3.11Å; V46-Q49 PolarHBondContact O-N 3.11Å; V46-Q49 VanDerWaalsContact O-N 3.13Å
47	D	47.2	Very low	55.5	Low	137 Å²	137	127.2 Å²	127.2	73%	0.733	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-16.6	179.3	-87.8	-12.1	0	0	0	113.7	G43 M45	G43-D47 PolarHBondContact O-N 3.39Å; M45-D47 PolarHBondContact O-N 3.22Å
48	R	51.9	Low	53.4	Low	231 Å²	231	127.6 Å²	127.6	87%	0.872	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-7.5	178	-116.9	-177.5	-176.9	-80.7	0.7	115.3	M45 V46	M45-R48 PolarHBondContact O-N 3.47Å; V46-R48 PolarHBondContact O-N 3.11Å
49	Q	48.6	Very low	51.3	Low	178 Å²	178	128.3 Å²	128.3	83%	0.832	71%	0.707	S	S	*	*	S	Bend	trans	-106.1	12.2	-171.6	-110.2	-177.8	11.1	0	0	115.5	V46	V46-Q49 PolarHBondContact O-N 3.11Å; V46-Q49 VanDerWaalsContact O-N 3.13Å
50	S	47.2	Very low	49.3	Very low	89 Å²	89	126 Å²	126	62%	0.622	71%	0.711	S	S	*	*			trans	-106.6	39.6	-169.2	59.6	0	0	0	0	116.2
51	Q	43.8	Very low	47.1	Very low	194 Å²	194	131.3 Å²	131.3	91%	0.907	73%	0.728	S	S	*	*	S	Bend	trans	-131.1	103.7	158.3	-71.4	-63.6	-23.6	0	0	108.7
52	G	45.4	Very low	45.7	Very low	72 Å²	72	133.1 Å²	133.1	74%	0.742	74%	0.743	S	S	*	*			trans	-112.8	153.2	-164.2	0	0	0	0	0	115.6
53	T	36.4	Very low	44.8	Very low	146 Å²	146	132.7 Å²	132.7	90%	0.896	75%	0.754	S	S	*	*			trans	-136.6	150.8	157.9	44.8	0	0	0	0	109.6
54	T	37	Very low	43.4	Very low	137 Å²	137	137.3 Å²	137.3	84%	0.84	78%	0.775	S	S	*	*			trans	-85.2	140.4	-167.6	48	0	0	0	0	114.4
55	P	48.8	Very low	42.4	Very low	130 Å²	130	139.7 Å²	139.7	84%	0.844	78%	0.782	S	S	*	*			trans	-98	96.8	175.1	35.7	-30.1	0	0	0	112.8
56	D	34.4	Very low	41.5	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	80%	0.799	S	S	*	*			trans	-158.8	109.4	162.8	-169.4	3.5	0	0	0	112.4
57	T	34.3	Very low	40.6	Very low	129 Å²	129	141.9 Å²	141.9	79%	0.791	80%	0.802	S	S	*	*			trans	-177.7	121.6	140.8	178.4	0	0	0	0	111.1
58	T	36	Very low	40.2	Very low	119 Å²	119	142.3 Å²	142.3	73%	0.73	81%	0.81	S	S	*	*			trans	-71.4	132.5	179.1	-49.9	0	0	0	0	111.9
59	P	38.5	Very low	39.9	Very low	126 Å²	126	136.6 Å²	136.6	82%	0.818	80%	0.803	S	S	*	*			trans	-73.4	130.5	174.9	30.1	-33.9	0	0	0	111.2
60	A	35.3	Very low	39.4	Very low	89 Å²	89	134 Å²	134	74%	0.736	80%	0.799	S	S	*	*			trans	-145.1	132.7	175.5	0	0	0	0	0	112.5
61	R	35.9	Very low	39.1	Very low	240 Å²	240	135 Å²	135	91%	0.906	81%	0.806	S	S	*	*			trans	73.8	120.1	171.1	-62.8	-175.2	169.6	149.7	-0.5	118.2
62	T	45.9	Very low	38.9	Very low	131 Å²	131	133.5 Å²	133.5	80%	0.804	80%	0.799	S	S	*	*			trans	-63	161.9	148.5	46.3	0	0	0	0	111.6
63	P	43.3	Very low	38.8	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	80%	0.799	S	S	*	*			trans	-123.1	145.4	130.7	35.6	-30.3	0	0	0	112.2
64	T	35.7	Very low	38.9	Very low	135 Å²	135	137.3 Å²	137.3	83%	0.828	79%	0.792	S	S	*	*			trans	-66.7	158.1	163	-30.1	0	0	0	0	110.4
65	E	36	Very low	39.7	Very low	176 Å²	176	135.5 Å²	135.5	82%	0.822	78%	0.783	S	S	*	*				171.9	128.1	122	-171.1	151.2	-139.4	0	0	112.8
66	E	36.3	Very low	39.3	Very low	187 Å²	187	136.8 Å²	136.8	87%	0.874	78%	0.775	S	S	*	*			trans	42.8	134	150.9	-162	168	-130.2	0	0	123.5
67	G	33.8	Very low	39.5	Very low	65 Å²	65	137.8 Å²	137.8	67%	0.67	78%	0.78	S	S	*	*			trans	141.7	85.9	148.4	0	0	0	0	0	117.8
68	T	40.5	Very low	39.9	Very low	146 Å²	146	140.6 Å²	140.6	90%	0.896	78%	0.781	S	S	*	*			trans	-108.9	124.7	166.6	-50	0	0	0	0	111.4
69	P	45.2	Very low	40.1	Very low	111 Å²	111	143.8 Å²	143.8	72%	0.721	79%	0.788	S	S	*	*			trans	-133.5	112	152.2	33.2	-17.3	0	0	0	113.3
70	T	37.7	Very low	40.6	Very low	125 Å²	125	147.2 Å²	147.2	77%	0.767	79%	0.793	S	S	*	*			trans	7.9	136.9	142	56.9	0	0	0	0	121.5
71	S	40.6	Very low	40.9	Very low	110 Å²	110	146.4 Å²	146.4	77%	0.769	79%	0.793	S	S	*	*			trans	80.6	150.2	136.1	-164.3	0	0	0	0	120.1
72	E	40.7	Very low	41.7	Very low	162 Å²	162	144.8 Å²	144.8	76%	0.757	79%	0.793	S	S	*	*			trans	66.9	142.4	176.6	-58.7	-160.6	98.2	0	0	115.9
73	Q	43	Very low	41.8	Very low	157 Å²	157	145.7 Å²	145.7	73%	0.734	79%	0.792	S	S	*	*			cis	-149.4	141.7	2.8	-131.1	168.7	45.5	0	0	109.7
74	N	38.9	Very low	42.1	Very low	140 Å²	140	147.6 Å²	147.6	75%	0.749	79%	0.788	S	S	*	*			trans	-100.2	114.3	174.4	-179.3	-5.9	0	0	0	109.9
75	P	53.4	Low	43.1	Very low	100 Å²	100	148 Å²	148	65%	0.649	78%	0.78	S	S	*	*			trans	-99.8	4.9	-165.8	38.1	-36.1	0	0	0	116.3
76	F	39.8	Very low	44	Very low	157 Å²	157	147 Å²	147	69%	0.689	78%	0.777	S	S	*	*			trans	-125.3	71.5	179.6	-74.8	-68.4	0	0	0	114.2	F78	F76-F78 AromaticContact CD1-CE2 3.81Å; F76-F78 HydrophobicContact CD1-CE2 3.81Å; F76-F78 HydrophobicContact CD1-CZ 4.44Å; F76-F78 HydrophobicContact CE1-CE2 4.43Å
77	L	38.3	Very low	44.8	Very low	165 Å²	165	143.7 Å²	143.7	86%	0.864	77%	0.77	S	S	*	*			trans	-70.4	122.3	150.6	-76.3	160.1	0	0	0	109.2
78	F	42.5	Very low	45.9	Very low	187 Å²	187	150 Å²	150	82%	0.82	77%	0.774	S	S	*	*			trans	-113.6	144	153.2	-81.3	-72.3	0	0	0	109.2	F76	F76-F78 AromaticContact CD1-CE2 3.81Å; F76-F78 HydrophobicContact CD1-CE2 3.81Å; F76-F78 HydrophobicContact CD1-CZ 4.44Å; F76-F78 HydrophobicContact CE1-CE2 4.43Å
79	Q	41.3	Very low	46.3	Very low	187 Å²	187	148 Å²	148	87%	0.874	77%	0.766	S	S	*	*			trans	-110	138.7	-156.1	-172.7	170.2	2	0	0	111.6	G81	Q79-G81 PolarHBondContact O-N 2.74Å
80	E	48.1	Very low	46.3	Very low	198 Å²	198	146.2 Å²	146.2	93%	0.925	77%	0.767	S	S	*	*			trans	-56.8	132.3	177.1	-60.9	-173.6	126.2	0	0	111.8
81	G	41.7	Very low	46.8	Very low	71 Å²	71	145.1 Å²	145.1	73%	0.732	77%	0.771	S	S	*	*			trans	-157.7	25.1	-163.2	0	0	0	0	0	118	Q79	Q79-G81 PolarHBondContact O-N 2.74Å
82	K	52.8	Low	47.6	Very low	206 Å²	206	147.2 Å²	147.2	90%	0.896	77%	0.772	S	S	*	*			trans	30.6	108.4	164.7	-62.6	-172.8	178.8	-170.3	0	118.6
83	L	49.3	Very low	48.2	Very low	151 Å²	151	144 Å²	144	79%	0.791	76%	0.76	S	S	*	*			trans	-149.3	146.9	143.6	-151.9	62.3	0	0	0	111.6
84	F	48.5	Very low	48.4	Very low	164 Å²	164	144.3 Å²	144.3	72%	0.719	76%	0.764	S	S	*	*			trans	64	75.4	178.9	-61.5	-65.8	0	0	0	118.4	M86	F84-M86 PolarHBondContact O-N 2.79Å
85	E	56.9	Low	49	Very low	144 Å²	144	143.5 Å²	143.5	67%	0.673	76%	0.764	S	S	*	*			trans	-73.7	93.6	142.8	168.7	165.6	-148.9	0	0	109.6	R88	E85-R88 IonicContact OE1-CZ 3.72Å; E85-R88 IonicContact OE1-NE 2.6Å; E85-R88 PolarHBondContact OE1-NE 3.19Å; E85-R88 IonicContact OE1-NH2 3.75Å; E85-R88 PolarHBondContact OE1-NH2 2.81Å; E85-R88 IonicContact OE2-NH2 3.41Å
86	M	54.4	Low	48.8	Very low	153 Å²	153	146.9 Å²	146.9	75%	0.754	77%	0.769	S	S	*	*			trans	-177.6	122	169.1	-101.2	159.8	62.7	0	0	105.6	F84	F84-M86 PolarHBondContact O-N 2.79Å
87	T	53.8	Low	49.4	Very low	119 Å²	119	149.2 Å²	149.2	73%	0.73	77%	0.773	S	S	*	*			cis	-141.4	109.1	20.3	-63.8	0	0	0	0	110
88	R	56.1	Low	49.7	Very low	197 Å²	197	146.8 Å²	146.8	74%	0.743	77%	0.769	S	S	*	*			trans	-106	60.1	-178.5	49	162.8	143.1	-104.6	7.8	112.8	E85	E85-R88 IonicContact OE1-CZ 3.72Å; E85-R88 IonicContact OE1-NE 2.6Å; E85-R88 PolarHBondContact OE1-NE 3.19Å; E85-R88 IonicContact OE1-NH2 3.75Å; E85-R88 PolarHBondContact OE1-NH2 2.81Å; E85-R88 IonicContact OE2-NH2 3.41Å
89	S	49.3	Very low	49.6	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	77%	0.767	S	S	*	*			trans	-167.5	104.9	170.9	55.1	0	0	0	0	109.3
90	G	45.4	Very low	49.7	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	76%	0.761	S	S	*	*			trans	-149.2	48.5	-173.8	0	0	0	0	0	112.5	I92	G90-I92 PolarHBondContact O-N 2.9Å
91	A	49.4	Very low	49.1	Very low	103 Å²	103	140.9 Å²	140.9	85%	0.851	76%	0.758	S	S	*	*			trans	-68.6	121.1	173.1	0	0	0	0	0	109.7	D93	A91-D93 PolarHBondContact O-N 2.95Å
92	I	56.1	Low	49.3	Very low	153 Å²	153	146.4 Å²	146.4	79%	0.785	76%	0.764	S	S	*	*			trans	-86.9	93.6	174	-59.9	176.9	0	0	0	107.6	G90 M94	G90-I92 PolarHBondContact O-N 2.9Å; I92-M94 PolarHBondContact O-N 3.31Å
93	D	53.7	Low	48.5	Very low	96 Å²	96	140 Å²	140	51%	0.513	75%	0.745	S	S	.	*			trans	-73.9	101.2	174.5	175.6	19.3	0	0	0	110.5	A91 T95	A91-D93 PolarHBondContact O-N 2.95Å; D93-T95 PolarHBondContact O-N 2.9Å; D93-T95 WeakPolarHBondContact OD1-CB 2.91Å; D93-T95 PolarHBondContact OD1-N 2.77Å; D93-T95 PolarHBondContact OD1-OG1 3.07Å
94	M	46.4	Very low	47.9	Very low	162 Å²	162	141.3 Å²	141.3	80%	0.798	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-7.2	176.9	-79.2	-70.2	-70.1	0	0	114.1	I92 K96	I92-M94 PolarHBondContact O-N 3.31Å; M94-K96 PolarHBondContact O-N 3.47Å; M94-K96 VanDerWaalsContact O-N 3.14Å
95	T	51.1	Low	47.4	Very low	123 Å²	123	140.6 Å²	140.6	76%	0.755	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-6	-170.1	-37.7	0	0	0	0	113.5	D93 R97	D93-T95 PolarHBondContact O-N 2.9Å; D93-T95 WeakPolarHBondContact OD1-CB 2.91Å; D93-T95 PolarHBondContact OD1-N 2.77Å; D93-T95 PolarHBondContact OD1-OG1 3.07Å; T95-R97 PolarHBondContact O-N 2.81Å
96	K	50.7	Low	46.3	Very low	172 Å²	172	141.1 Å²	141.1	75%	0.748	74%	0.744	S	S	*	*			trans	-104.7	68	-175.2	-60.7	-155.6	176.5	-171.1	0	114.4	M94 S98	M94-K96 PolarHBondContact O-N 3.47Å; M94-K96 VanDerWaalsContact O-N 3.14Å; K96-S98 PolarHBondContact O-N 3.49Å; K96-S98 VanDerWaalsContact O-N 3.09Å
97	R	52.1	Low	45.4	Very low	206 Å²	206	142.2 Å²	142.2	78%	0.777	75%	0.745	S	S	*	*			trans	-63.4	102.6	157.4	-65.9	-174.3	-178.7	129.2	-3.2	109.4	T95 Y99	T95-R97 PolarHBondContact O-N 2.81Å; R97-Y99 VanDerWaalsContact C-N 3.33Å; R97-Y99 HydrophobicContact CB-CD2 3.94Å; R97-Y99 HydrophobicContact CB-CE2 3.86Å; R97-Y99 HydrophobicContact CG-CE2 4.44Å; R97-Y99 PolarHBondContact O-N 3.24Å
98	S	44.8	Very low	44.4	Very low	113 Å²	113	143.5 Å²	143.5	79%	0.79	74%	0.742	S	S	*	*			trans	-81.5	74.9	175.7	-177.7	0	0	0	0	111.2	K96 A100	K96-S98 PolarHBondContact O-N 3.49Å; K96-S98 VanDerWaalsContact O-N 3.09Å; S98-A100 PolarHBondContact O-N 2.77Å
99	Y	40.8	Very low	43.2	Very low	199 Å²	199	142 Å²	142	78%	0.78	75%	0.748	S	S	*	*			trans	-68.1	114.4	169.3	-78.5	-81.6	0	0	0	110.4	R97	R97-Y99 VanDerWaalsContact C-N 3.33Å; R97-Y99 HydrophobicContact CB-CD2 3.94Å; R97-Y99 HydrophobicContact CB-CE2 3.86Å; R97-Y99 HydrophobicContact CG-CE2 4.44Å; R97-Y99 PolarHBondContact O-N 3.24Å
100	A	41.9	Very low	42.4	Very low	89 Å²	89	140.2 Å²	140.2	74%	0.736	75%	0.745	S	S	*	*			trans	-160.1	73	174	0	0	0	0	0	111.4	S98	S98-A100 PolarHBondContact O-N 2.77Å
101	D	36.4	Very low	41.6	Very low	161 Å²	161	145.6 Å²	145.6	86%	0.861	75%	0.751	S	S	*	*				-176	117	127	-159	12.4	0	0	0	109.6
102	E	46.3	Very low	40.8	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	75%	0.751	S	S	*	*			trans	-124	105.8	176.3	-76.5	-167.7	144.1	0	0	110.8
103	S	35.2	Very low	39.7	Very low	71 Å²	71	147.5 Å²	147.5	50%	0.497	75%	0.751	S	S	.	*			trans	-167.9	135.9	160.9	-142.8	0	0	0	0	108.6
104	F	37.6	Very low	38.6	Very low	179 Å²	179	152.9 Å²	152.9	79%	0.785	76%	0.764	S	S	*	*			cis	-133.3	139.9	19.8	-66.6	-102	0	0	0	108.8
105	H	37.6	Very low	37.7	Very low	149 Å²	149	150.8 Å²	150.8	69%	0.69	75%	0.753	S	S	*	*				48.7	141.3	85.5	-48.3	-50.1	0	0	0	115.5
106	F	34	Very low	36.6	Very low	154 Å²	154	152.2 Å²	152.2	68%	0.675	75%	0.751	S	S	*	*			cis	-121.4	174.1	4.9	-87.9	-103.3	0	0	0	109.8
107	F	33.9	Very low	35.3	Very low	177 Å²	177	149.4 Å²	149.4	78%	0.776	75%	0.748	S	S	*	*			cis	-130.2	168.6	17.1	-70.4	-88.1	0	0	0	109.7
108	Q	33.1	Very low	33.9	Very low	145 Å²	145	147.1 Å²	147.1	68%	0.678	75%	0.75	S	S	*	*			cis	80.5	121	31.1	-146.6	167.3	39.2	0	0	112.9
109	I	32.1	Very low	33.1	Very low	167 Å²	167	147.1 Å²	147.1	86%	0.856	75%	0.75	S	S	*	*			cis	-130.4	156.4	46.4	-67.8	156.1	0	0	0	113
110	G	32.7	Very low	32.4	Very low	65 Å²	65	146.4 Å²	146.4	67%	0.67	75%	0.754	S	S	*	*			trans	-149.3	-178.9	163.7	0	0	0	0	0	112
111	Q	28.7	Very low	31.6	Very low	186 Å²	186	149.1 Å²	149.1	87%	0.869	76%	0.756	S	S	*	*			trans	-145.5	155.9	168	-76.2	-169.5	-57.7	0	0	108
112	E	32.5	Very low	31.3	Very low	183 Å²	183	146.5 Å²	146.5	86%	0.855	75%	0.746	S	S	*	*			cis	-158.2	157.3	-40	-147.4	171.1	-161.7	0	0	105.5
113	S	31.3	Very low	30.6	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	73%	0.732	S	S	*	*			trans	-118.8	159.5	-160	58.9	0	0	0	0	115.5
114	R	30.6	Very low	30.3	Very low	210 Å²	210	147.1 Å²	147.1	79%	0.792	74%	0.739	S	S	*	*			trans	174.9	153.2	156.8	-103.5	177.1	152.1	-144.3	-23.5	111.7
115	E	29.1	Very low	29.7	Very low	118 Å²	118	142.4 Å²	142.4	55%	0.551	74%	0.741	S	S	*	*			cis	-162.6	169.2	-10	-145.5	162.3	-147.9	0	0	113.7
116	E	27.1	Very low	29.5	Very low	153 Å²	153	138.7 Å²	138.7	72%	0.715	74%	0.736	S	S	*	*			trans	55	91.9	147.9	-90.1	172.8	175.2	0	0	123.1
117	T	24.6	Very low	29	Very low	112 Å²	112	136 Å²	136	69%	0.687	73%	0.732	S	S	*	*				44.8	158.7	113.6	62.8	0	0	0	0	124.4
118	L	22.1	Very low	28.6	Very low	158 Å²	158	128.9 Å²	128.9	83%	0.827	71%	0.709	S	S	*	*			trans	87.6	145.9	166.4	-50.8	172.8	0	0	0	114.9
119	S	27.8	Very low	28.4	Very low	113 Å²	113	125 Å²	125	79%	0.79	70%	0.701	S	S	*	*			cis	-163.9	162.3	-14	-112.6	0	0	0	0	111.4
120	E	26.8	Very low	27.9	Very low	184 Å²	184	123.1 Å²	123.1	86%	0.86	69%	0.693	S	S	*	*			trans	-96.6	125.5	169.9	176.9	-173.1	172	0	0	111
121	D	25.4	Very low	28.2	Very low	147 Å²	147	125.3 Å²	125.3	79%	0.786	70%	0.695	S	S	*	*			trans	-165.5	116.2	146.5	-149	29.5	0	0	0	116
122	V	28.3	Very low	28	Very low	106 Å²	106	123.9 Å²	123.9	64%	0.642	69%	0.693	S	S	*	*			trans	31.1	117.1	130.2	-179.1	0	0	0	0	123.4
123	K	32.4	Very low	28.3	Very low	131 Å²	131	120.3 Å²	120.3	57%	0.57	69%	0.686	S	S	*	*			trans	65.5	127.6	137.7	-89.6	-177.6	161.3	-91.4	0	125.5
124	E	29.8	Very low	28.1	Very low	139 Å²	139	122 Å²	122	65%	0.65	69%	0.685	S	S	*	*				78.5	116.7	114.5	-163.7	166	-115.3	0	0	122.7
125	G	24.8	Very low	27.8	Very low	80 Å²	80	120.2 Å²	120.2	83%	0.825	69%	0.686	S	S	*	*			trans	175.1	133.3	161.3	0	0	0	0	0	113.2
126	A	31.8	Very low	27.6	Very low	72 Å²	72	120.8 Å²	120.8	60%	0.595	70%	0.698	S	S	*	*			trans	-131	144.5	-167.3	0	0	0	0	0	116	K705	A126-K705 VanDerWaalsContact O-CE 3.24Å; A126-K705 WeakPolarHBondContact O-CE 3.21Å
127	T	24.2	Very low	27.5	Very low	97 Å²	97	119.2 Å²	119.2	60%	0.595	70%	0.703	S	S	*	*			trans	-168.3	173.9	155.4	-62.2	0	0	0	0	110.5	V703 K705	T127-V703 VanDerWaalsContact CA-CG1 3.49Å; T127-V703 HydrophobicContact CG2-CG2 4.2Å; T127-V703 WeakPolarHBondContact O-CG1 3.41Å; T127-K705 WeakPolarHBondContact OG1-CE 3.47Å; T127-K705 PolarHBondContact OG1-NZ 2.96Å
128	G	25.4	Very low	27.4	Very low	28 Å²	28	118.2 Å²	118.2	29%	0.289	71%	0.706	S	S	.	*			trans	146.8	-156.1	-170.8	0	0	0	0	0	117.8	D701 V703	G128-D701 WeakPolarHBondContact CA-OD1 3.47Å; G128-V703 VanDerWaalsContact O-CG2 3.32Å; G128-V703 WeakPolarHBondContact O-CG2 3.42Å
129	A	28.4	Very low	27.5	Very low	62 Å²	62	119.7 Å²	119.7	51%	0.512	71%	0.709	S	S	.	*			trans	-154	134.5	170	0	0	0	0	0	119	D701 G702 V703	A129-D701 CarbonylContact O-C 3.38Å; A129-G702 VanDerWaalsContact C-C 3.45Å; A129-G702 VanDerWaalsContact C-N 3.27Å; A129-G702 CarbonylContact C-O 3.57Å; A129-G702 VanDerWaalsContact N-CA 3.26Å; A129-G702 PolarHBondContact O-N 2.76Å; A129-V703 VanDerWaalsContact CA-O 3.28Å; A129-V703 WeakPolarHBondContact CA-O 3.41Å; A129-V703 VanDerWaalsContact N-N 3.1Å
130	D	22.4	Very low	27.4	Very low	129 Å²	129	118.9 Å²	118.9	69%	0.69	70%	0.703	S	S	*	*			trans	-54.2	147.9	171.6	-173.4	67.2	0	0	0	114.4	G702 V703	D130-G702 PolarHBondContact N-O 2.8Å; D130-V703 PolarHBondContact N-O 2.91Å
131	P	37.9	Very low	27.3	Very low	110 Å²	110	117.8 Å²	117.8	71%	0.714	70%	0.703	S	S	*	*				-158	-178.2	57.8	45.3	-22.3	0	0	0	121.7
132	L	25.8	Very low	27.3	Very low	156 Å²	156	114.7 Å²	114.7	82%	0.817	70%	0.698	S	S	*	*			trans	-60.6	172.4	162.2	-77.4	168.4	0	0	0	114.4
133	P	38.7	Very low	27	Very low	109 Å²	109	117.5 Å²	117.5	71%	0.708	71%	0.708	S	S	*	*			cis	-136.6	-160.7	24.9	42.1	-19.6	0	0	0	114.3
134	L	26.3	Very low	26.7	Very low	147 Å²	147	116 Å²	116	77%	0.77	72%	0.715	S	S	*	*			cis	-154	175	14.6	-157.2	125	0	0	0	112.9
135	E	25	Very low	26.7	Very low	173 Å²	173	117.9 Å²	117.9	81%	0.808	72%	0.723	S	S	*	*			trans	-78.7	-175.2	-175.9	-38.2	178.9	116.7	0	0	113.7
136	T	25.3	Very low	26.7	Very low	131 Å²	131	119.9 Å²	119.9	80%	0.804	72%	0.724	S	S	*	*				-156.8	166.2	52.7	49	0	0	0	0	115.2
137	S	23.4	Very low	26.5	Very low	119 Å²	119	124 Å²	124	83%	0.832	73%	0.729	S	S	*	*			trans	-114.8	151.5	178.7	178.9	0	0	0	0	113.9
138	A	24.5	Very low	26.6	Very low	91 Å²	91	126 Å²	126	75%	0.752	73%	0.732	S	S	*	*			trans	-179.2	125.7	149.1	0	0	0	0	0	106.8
139	E	22.9	Very low	26.7	Very low	190 Å²	190	130.4 Å²	130.4	89%	0.888	75%	0.753	S	S	*	*				76.9	138.4	52.8	-156.6	165.5	135.4	0	0	114.3
140	S	25.5	Very low	26.9	Very low	95 Å²	95	133.2 Å²	133.2	66%	0.664	76%	0.763	S	S	*	*			trans	-86.8	162.3	-154.1	51.4	0	0	0	0	116.4
141	L	25.8	Very low	27	Very low	161 Å²	161	134.1 Å²	134.1	84%	0.843	77%	0.768	S	S	*	*				171	150.3	114.4	-90.1	170.7	0	0	0	115.6
142	A	23.7	Very low	26.7	Very low	83 Å²	83	136 Å²	136	69%	0.686	77%	0.772	S	S	*	*			trans	34.8	131.3	145.5	0	0	0	0	0	124.6
143	L	23.9	Very low	27.2	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	77%	0.774	S	S	*	*			trans	26.7	128.2	137.3	-93.8	72.1	0	0	0	121.2
144	S	25.7	Very low	26.9	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	78%	0.775	S	S	*	*				166.3	170.8	92.3	-105.1	0	0	0	0	115.2
145	E	28.7	Very low	27	Very low	177 Å²	177	136 Å²	136	83%	0.827	77%	0.774	S	S	*	*			trans	-68.1	159.8	-171.2	-52.6	137.9	80.3	0	0	117.6
146	S	25.4	Very low	27.3	Very low	122 Å²	122	135.1 Å²	135.1	85%	0.853	77%	0.774	S	S	*	*			trans	175.4	176.7	139.4	41.6	0	0	0	0	111.5
147	K	28.1	Very low	27.7	Very low	158 Å²	158	136.9 Å²	136.9	69%	0.687	78%	0.778	S	S	*	*				-171.7	121.2	-67.2	168.7	-178.9	153.9	82.9	0	110
148	E	26.7	Very low	29	Very low	141 Å²	141	136 Å²	136	66%	0.659	77%	0.77	S	S	*	*			trans	57.4	156.8	142.7	-154.3	-178.5	95.5	0	0	124.3
149	T	26	Very low	29	Very low	120 Å²	120	138.5 Å²	138.5	74%	0.736	77%	0.77	S	S	*	*			trans	90.3	149.2	164.6	67.9	0	0	0	0	119.1
150	V	32.1	Very low	29.3	Very low	120 Å²	120	136.1 Å²	136.1	73%	0.727	76%	0.764	S	S	*	*			cis	-168	150.7	-25.1	128	0	0	0	0	110.5
151	D	25.7	Very low	29.9	Very low	149 Å²	149	136.7 Å²	136.7	80%	0.797	76%	0.763	S	S	*	*			trans	172.4	157.8	154.4	-86.2	164.1	0	0	0	107.4
152	D	31.5	Very low	30.2	Very low	148 Å²	148	133.2 Å²	133.2	79%	0.791	75%	0.752	S	S	*	*			cis	85.6	137.2	17.7	-71.8	147	0	0	0	117
153	E	35.9	Very low	30.7	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	75%	0.754	S	S	*	*			cis	-152.8	152.4	2.7	-165.5	-170	-165.8	0	0	112.3
154	A	32.6	Very low	31.2	Very low	89 Å²	89	137.1 Å²	137.1	74%	0.736	75%	0.752	S	S	*	*			trans	71	158.3	160.4	0	0	0	0	0	120.6
155	D	28.1	Very low	31.6	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	75%	0.749	S	S	*	*			cis	-159.2	160.3	12.8	-154.9	0.3	0	0	0	115
156	L	31.1	Very low	31.6	Very low	155 Å²	155	136.8 Å²	136.8	81%	0.812	75%	0.746	S	S	*	*			trans	68.7	150.4	163.3	-55.4	-173.1	0	0	0	124.9
157	L	34.7	Very low	31.8	Very low	168 Å²	168	139 Å²	139	88%	0.88	74%	0.743	S	S	*	*			trans	-122.5	-178.9	-176.1	-85.3	177.6	0	0	0	110.5
158	P	49.5	Very low	31.8	Very low	101 Å²	101	138.7 Å²	138.7	66%	0.656	75%	0.747	S	S	*	*			cis	-130.8	-157.7	19.5	39.8	-16.4	0	0	0	113.3
159	D	26.2	Very low	32.4	Very low	143 Å²	143	137.5 Å²	137.5	77%	0.765	75%	0.752	S	S	*	*			cis	-140.6	145	17.4	-84.6	-50	0	0	0	109.7
160	D	29	Very low	32.2	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	75%	0.754	S	S	*	*				70.9	125.1	91.3	-138	47.5	0	0	0	114.6
161	V	36.8	Very low	32.2	Very low	108 Å²	108	135.8 Å²	135.8	66%	0.655	76%	0.756	S	S	*	*			cis	-152.9	157	17.3	-134.7	0	0	0	0	113.1
162	S	32.1	Very low	32.4	Very low	88 Å²	88	136.2 Å²	136.2	62%	0.615	76%	0.758	S	S	*	*			trans	64.5	147.7	142.5	-64.4	0	0	0	0	122.5
163	E	35.5	Very low	32.4	Very low	156 Å²	156	132.5 Å²	132.5	73%	0.729	75%	0.748	S	S	*	*			cis	-160.1	127.2	-7.7	-112.9	174.8	-155.9	0	0	112.5
164	E	34	Very low	32.1	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	75%	0.745	S	S	*	*			trans	55.4	160.3	140.8	-18.5	-149.2	121.9	0	0	122.2
165	V	34.5	Very low	32	Very low	106 Å²	106	134.7 Å²	134.7	64%	0.642	75%	0.747	S	S	*	*			cis	-155.9	152.9	11.8	83.2	0	0	0	0	113.3
166	E	29.3	Very low	32	Very low	164 Å²	164	134.3 Å²	134.3	77%	0.766	75%	0.745	S	S	*	*			trans	30.4	149.4	146.7	-73.7	177.4	165	0	0	123.9
167	E	28	Very low	31.8	Very low	169 Å²	169	130.8 Å²	130.8	79%	0.79	73%	0.733	S	S	*	*			cis	-157.8	-178.1	-13.3	-141.3	-161.3	150	0	0	110.9
168	I	27.6	Very low	31.6	Very low	151 Å²	151	129.5 Å²	129.5	77%	0.774	72%	0.722	S	S	*	*			trans	-93.5	-161.9	178.4	1.5	176.4	0	0	0	109.9
169	P	40.1	Very low	30.6	Very low	116 Å²	116	133 Å²	133	75%	0.753	73%	0.732	S	S	*	*			cis	-137	175.4	6.1	43.3	-25.3	0	0	0	117.3
170	A	22.4	Very low	30.6	Very low	94 Å²	94	129.2 Å²	129.2	78%	0.777	73%	0.727	S	S	*	*				136.3	143.5	126.7	0	0	0	0	0	114.9
171	S	31.4	Very low	30.5	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	73%	0.733	S	S	*	*			trans	-115.2	-170.8	-171.8	-50.6	0	0	0	0	112.3
172	D	30	Very low	30	Very low	158 Å²	158	131 Å²	131	85%	0.845	74%	0.741	S	S	*	*			trans	80.7	149.4	161.3	-67.4	-21.2	0	0	0	120.7
173	A	30.9	Very low	29.6	Very low	69 Å²	69	131.5 Å²	131.5	57%	0.57	75%	0.75	S	S	*	*			cis	-175.8	160.9	-31	0	0	0	0	0	111.6
174	Q	31.3	Very low	29	Very low	172 Å²	172	129.6 Å²	129.6	80%	0.804	75%	0.754	S	S	*	*			trans	71	146.9	138.3	-95.9	174.8	-98.9	0	0	123.5
175	L	29.8	Very low	28.6	Very low	147 Å²	147	127.1 Å²	127.1	77%	0.77	75%	0.75	S	S	*	*			trans	128.4	132.4	139.9	-67.8	-169.7	0	0	0	113.3
176	N	27	Very low	28	Very low	131 Å²	131	129.6 Å²	129.6	70%	0.701	76%	0.755	S	S	*	*			cis	-171.1	154.9	-4	-179.3	38.2	0	0	0	113.7
177	S	27.3	Very low	27.8	Very low	82 Å²	82	127.5 Å²	127.5	57%	0.573	75%	0.753	S	S	*	*			trans	70.9	158.3	151.5	-81.2	0	0	0	0	123
178	Q	30.6	Very low	28.2	Very low	140 Å²	140	123.9 Å²	123.9	65%	0.654	75%	0.745	S	S	*	*			cis	176.9	134.5	-27.4	170.5	171.9	-16.9	0	0	112.8
179	M	29	Very low	28	Very low	174 Å²	174	122.5 Å²	122.5	86%	0.857	74%	0.743	S	S	*	*			trans	62.6	154.9	163.9	-71.1	166.9	-179.2	0	0	118.5
180	G	26.6	Very low	27.4	Very low	64 Å²	64	123.8 Å²	123.8	66%	0.66	74%	0.737	S	S	*	*			cis	167.9	-177.1	-6.5	0	0	0	0	0	114.4
181	I	26.6	Very low	27.6	Very low	170 Å²	170	126.7 Å²	126.7	87%	0.872	74%	0.735	S	S	*	*			trans	66.9	102.3	164.2	62.3	164.1	0	0	0	123.6
182	S	25.2	Very low	27.2	Very low	117 Å²	117	125.2 Å²	125.2	82%	0.818	73%	0.729	S	S	*	*				40.8	111.1	119.6	-52.2	0	0	0	0	124.8
183	A	24.1	Very low	26.8	Very low	97 Å²	97	124 Å²	124	80%	0.802	73%	0.727	S	S	*	*				36.9	128.4	122.5	0	0	0	0	0	124.1
184	S	22.9	Very low	26.4	Very low	117 Å²	117	125.4 Å²	125.4	82%	0.818	73%	0.733	S	S	*	*			trans	164.6	154.5	150.4	-78.5	0	0	0	0	109.9
185	T	25	Very low	26	Very low	120 Å²	120	124.1 Å²	124.1	74%	0.736	74%	0.737	S	S	*	*			cis	-162.8	142.4	-7.1	18.7	0	0	0	0	111.4
186	E	22.9	Very low	25.7	Very low	159 Å²	159	120.1 Å²	120.1	74%	0.743	73%	0.731	S	S	*	*			trans	21.5	122	140.5	-72.2	-175.6	84.6	0	0	124.6
187	T	25	Very low	25.6	Very low	119 Å²	119	119.6 Å²	119.6	73%	0.73	73%	0.732	S	S	*	*				67	-173.4	128.1	78	0	0	0	0	118.2
188	P	35.8	Very low	25.5	Very low	94 Å²	94	124 Å²	124	61%	0.61	74%	0.741	S	S	*	*			cis	-135.9	161.6	-10.6	36.9	-18.7	0	0	0	117.8
189	T	23.2	Very low	25.2	Very low	121 Å²	121	123.2 Å²	123.2	74%	0.742	74%	0.742	S	S	*	*			trans	66.5	164.1	147.2	53	0	0	0	0	118.6
190	K	28.9	Very low	25	Very low	143 Å²	143	121.4 Å²	121.4	62%	0.622	74%	0.735	S	S	*	*			cis	-160.4	161.2	4.2	-129.1	159.3	177.9	-76.9	0	110.7
191	E	25.5	Very low	25.3	Very low	155 Å²	155	124.1 Å²	124.1	72%	0.724	74%	0.741	S	S	*	*			trans	37.8	152.3	138.7	-72.5	160.1	-176.6	0	0	123.2
192	A	23.7	Very low	25.1	Very low	80 Å²	80	121.1 Å²	121.1	66%	0.661	73%	0.731	S	S	*	*			cis	178.1	168.1	-18.2	0	0	0	0	0	112
193	V	21.4	Very low	25.2	Very low	133 Å²	133	121.3 Å²	121.3	81%	0.806	73%	0.726	S	S	*	*			trans	77.3	149.4	137.7	149.5	0	0	0	0	121.4
194	S	23	Very low	25.3	Very low	99 Å²	99	124.4 Å²	124.4	69%	0.692	72%	0.724	S	S	*	*			trans	78.4	117.8	166.5	-74.4	0	0	0	0	117.8
195	V	23.5	Very low	25.5	Very low	145 Å²	145	125.1 Å²	125.1	88%	0.879	72%	0.724	S	S	*	*				85.3	123.6	55.1	167.3	0	0	0	0	112.6
196	G	22.4	Very low	25.6	Very low	63 Å²	63	122.5 Å²	122.5	65%	0.649	72%	0.721	S	S	*	*			trans	161.7	70.6	165.4	0	0	0	0	0	119.2
197	T	25.2	Very low	25.8	Very low	119 Å²	119	122.8 Å²	122.8	73%	0.73	73%	0.728	S	S	*	*			trans	26	132.1	134.6	56.7	0	0	0	0	122.6
198	K	24.4	Very low	26	Very low	174 Å²	174	124.5 Å²	124.5	76%	0.757	73%	0.731	S	S	*	*			trans	70.6	163	131.6	-73.3	164.1	151	-85.4	0	118.2
199	D	23.8	Very low	26.3	Very low	124 Å²	124	125.4 Å²	125.4	66%	0.663	74%	0.736	S	S	*	*			cis	-150.5	175.2	-0.7	-127.2	-43.3	0	0	0	111.6
200	L	25.9	Very low	27.6	Very low	136 Å²	136	124.3 Å²	124.3	71%	0.712	73%	0.732	S	S	*	*			trans	-70.3	162.9	169.6	-79.4	160.9	0	0	0	113.1
201	P	32.1	Very low	27.5	Very low	121 Å²	121	125 Å²	125	79%	0.786	74%	0.741	S	S	*	*				-126.7	144.3	89.7	4.8	17.2	0	0	0	113
202	T	22.2	Very low	27.5	Very low	108 Å²	108	123.2 Å²	123.2	66%	0.663	75%	0.746	S	S	*	*			cis	88.9	145.4	37.3	-56	0	0	0	0	114.2
203	V	27.6	Very low	27.6	Very low	120 Å²	120	123 Å²	123	73%	0.727	75%	0.751	S	S	*	*			trans	91.5	129.7	-179.7	178.1	0	0	0	0	114.1
204	Q	26.3	Very low	28	Very low	163 Å²	163	123.2 Å²	123.2	76%	0.762	75%	0.752	S	S	*	*			cis	-153.6	146.1	-13.8	-109.5	167.5	40.4	0	0	106.7
205	T	28.5	Very low	28.4	Very low	131 Å²	131	126.5 Å²	126.5	80%	0.804	75%	0.754	S	S	*	*				47.8	125.9	89.2	-38.5	0	0	0	0	114.3
206	G	26.4	Very low	28.6	Very low	66 Å²	66	126 Å²	126	68%	0.68	74%	0.742	S	S	*	*			cis	172	-153.8	1.5	0	0	0	0	0	112.3
207	D	26	Very low	28.7	Very low	165 Å²	165	130 Å²	130	88%	0.882	75%	0.747	S	S	*	*			trans	68.7	103.7	164.4	-66.6	-16	0	0	0	122.3
208	I	29.3	Very low	28.5	Very low	155 Å²	155	129.6 Å²	129.6	80%	0.795	75%	0.749	S	S	*	*			trans	-70.6	-176.1	138.6	8.6	170.7	0	0	0	109.9
209	P	43.5	Very low	28.8	Very low	112 Å²	112	127.1 Å²	127.1	73%	0.727	75%	0.752	S	S	*	*			cis	-132.7	-115.2	-10.2	26.5	0.3	0	0	0	115.8
210	P	50.8	Low	29.8	Very low	99 Å²	99	126.8 Å²	126.8	64%	0.643	76%	0.757	S	S	*	*				-126.5	175.8	-102.8	33.2	-13	0	0	0	117
211	L	25.2	Very low	29.6	Very low	158 Å²	158	127.2 Å²	127.2	83%	0.827	76%	0.76	S	S	*	*				158.7	132.7	115.5	-89.5	159.3	0	0	0	117.5
212	S	26.4	Very low	29.4	Very low	117 Å²	117	126 Å²	126	82%	0.818	76%	0.755	S	S	*	*			trans	61.7	142.2	132.6	-160.3	0	0	0	0	122.4
213	G	26.1	Very low	29.6	Very low	74 Å²	74	126.2 Å²	126.2	76%	0.763	76%	0.76	S	S	*	*			trans	174.8	20.1	170.3	0	0	0	0	0	123.2
214	V	30.3	Very low	29.5	Very low	138 Å²	138	128.2 Å²	128.2	84%	0.836	76%	0.762	S	S	*	*			trans	-28.1	130.2	173.4	174.1	0	0	0	0	117.8
215	K	29.6	Very low	30.4	Very low	169 Å²	169	126 Å²	126	74%	0.735	76%	0.762	S	S	*	*				178	138.8	126	-115.5	-173.4	171.9	-155.1	0	121.3
216	Q	28.7	Very low	30.3	Very low	135 Å²	135	123.2 Å²	123.2	63%	0.631	75%	0.752	S	S	*	*			trans	72.8	103.1	132.1	-99	179.1	-32.6	0	0	127.2
217	I	24.1	Very low	30.3	Very low	147 Å²	147	126.1 Å²	126.1	75%	0.754	76%	0.756	S	S	*	*				37.6	124.5	117.9	-47.5	169.3	0	0	0	121
218	S	22.2	Very low	30.3	Very low	110 Å²	110	125.5 Å²	125.5	77%	0.769	75%	0.748	S	S	*	*				170	143.9	118.7	-71	0	0	0	0	115.5
219	C	29.3	Very low	30.2	Very low	122 Å²	122	123.6 Å²	123.6	82%	0.824	74%	0.743	S	S	*	*			trans	-124.8	168.4	159.5	-53.7	0	0	0	0	109.2
220	P	44.5	Very low	29.3	Very low	117 Å²	117	126 Å²	126	76%	0.76	75%	0.745	S	S	*	*				-138.9	-154.4	82.8	35.5	-13.9	0	0	0	111.1
221	D	23	Very low	28.4	Very low	144 Å²	144	127.8 Å²	127.8	77%	0.77	75%	0.748	S	S	*	*			cis	-153.9	-138.4	11.2	-151.3	-71.3	0	0	0	112.6
222	S	28.4	Very low	28.5	Very low	97 Å²	97	126.1 Å²	126.1	68%	0.678	74%	0.74	S	S	*	*			trans	-132.5	179.5	-166.4	62.5	0	0	0	0	112.4
223	S	24.5	Very low	28.6	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	74%	0.737	S	S	*	*			cis	-168.9	163.4	40.5	58.6	0	0	0	0	115.6
224	E	26.8	Very low	28.7	Very low	162 Å²	162	130 Å²	130	76%	0.757	73%	0.734	S	S	*	*			trans	-80.6	178.2	170	-124.2	-166.6	150.8	0	0	113.1
225	P	44.2	Very low	28.6	Very low	118 Å²	118	129.7 Å²	129.7	77%	0.766	73%	0.732	S	S	*	*				-156.4	144	51.1	40.8	-17.1	0	0	0	122.1
226	A	26.1	Very low	28.5	Very low	72 Å²	72	129 Å²	129	60%	0.595	74%	0.736	S	S	*	*				32.3	158.3	128.2	0	0	0	0	0	127.9
227	V	27.3	Very low	28.5	Very low	127 Å²	127	128.1 Å²	128.1	77%	0.77	74%	0.74	S	S	*	*			trans	113.1	136.5	144.1	-169.6	0	0	0	0	120.2
228	Q	26.3	Very low	28.8	Very low	151 Å²	151	131.6 Å²	131.6	71%	0.706	74%	0.744	S	S	*	*			trans	76.7	121.6	167.5	-133.9	67.6	24.6	0	0	117.8
229	V	27.4	Very low	29.1	Very low	115 Å²	115	130.5 Å²	130.5	70%	0.697	74%	0.736	S	S	*	*			cis	102.1	119.1	19.2	176	0	0	0	0	115.3
230	Q	24.4	Very low	29.1	Very low	163 Å²	163	130.4 Å²	130.4	76%	0.762	73%	0.731	S	S	*	*			trans	112.7	108.1	149.6	-160.7	158.1	7.8	0	0	121
231	L	32.2	Very low	28.4	Very low	137 Å²	137	135.3 Å²	135.3	72%	0.717	74%	0.736	S	S	*	*			trans	47.1	152.3	136.3	-68.2	173.2	0	0	0	125.4
232	D	26.4	Very low	29	Very low	122 Å²	122	133.3 Å²	133.3	65%	0.652	73%	0.733	S	S	*	*			trans	95.5	123.1	140.4	-74.6	-4	0	0	0	124.5
233	F	29.1	Very low	29.1	Very low	175 Å²	175	135 Å²	135	77%	0.768	74%	0.735	S	S	*	*			trans	42	117.1	145.3	-62.8	-71.2	0	0	0	124.6
234	S	28.5	Very low	29.5	Very low	98 Å²	98	140.4 Å²	140.4	69%	0.685	74%	0.738	S	S	*	*				75.5	154.6	122.1	-62.8	0	0	0	0	124
235	T	27.8	Very low	29.7	Very low	132 Å²	132	136.5 Å²	136.5	81%	0.81	74%	0.741	S	S	*	*			trans	73.3	99.9	153.8	41.5	0	0	0	0	122.3
236	L	28.3	Very low	29.7	Very low	154 Å²	154	138.6 Å²	138.6	81%	0.806	75%	0.746	S	S	*	*				64.7	131.4	114.1	-136.2	79.7	0	0	0	122.4
237	T	28.6	Very low	30.2	Very low	116 Å²	116	142.3 Å²	142.3	71%	0.712	76%	0.756	S	S	*	*			trans	97.6	138.9	151.6	75.9	0	0	0	0	122.3
238	R	29.5	Very low	30.7	Very low	221 Å²	221	141.7 Å²	141.7	83%	0.834	76%	0.757	S	S	*	*			trans	93.5	93.2	138.2	-107.5	-178	61.3	-141.1	-6.1	122.7
239	S	27.8	Very low	31.8	Very low	87 Å²	87	140.4 Å²	140.4	61%	0.608	76%	0.762	S	S	*	*				74.1	114.7	117.1	71	0	0	0	0	123.5
240	V	30.3	Very low	31.9	Very low	120 Å²	120	142.1 Å²	142.1	73%	0.727	77%	0.767	S	S	*	*				76.9	104.8	120.9	173.1	0	0	0	0	120.5
241	Y	30.8	Very low	32.3	Very low	219 Å²	219	139.9 Å²	139.9	86%	0.859	77%	0.769	S	S	*	*			trans	62.5	149.4	146.8	-72.2	-113.6	0	0	0	118.7
242	S	34.8	Very low	32.6	Very low	102 Å²	102	138.5 Å²	138.5	71%	0.713	77%	0.771	S	S	*	*			cis	-160	157.3	9.5	-149.1	0	0	0	0	114.5
243	D	30.1	Very low	33.4	Very low	132 Å²	132	138.1 Å²	138.1	71%	0.706	78%	0.776	S	S	*	*			trans	81.1	135.9	143.2	-156.7	35.6	0	0	0	123.8
244	R	33.9	Very low	33.7	Very low	226 Å²	226	137.8 Å²	137.8	85%	0.853	78%	0.776	S	S	*	*			trans	71	110.9	154.1	-96.6	171.5	-180	-77.2	-10.5	124.2
245	G	30.1	Very low	34	Very low	80 Å²	80	141.9 Å²	141.9	83%	0.825	79%	0.785	S	S	*	*			trans	162.5	121.2	150.5	0	0	0	0	0	113.6
246	D	44.5	Very low	34.3	Very low	161 Å²	161	143.8 Å²	143.8	86%	0.861	79%	0.785	S	S	*	*			trans	-80.3	139.4	172	-73.3	-64.7	0	0	0	111.7
247	D	35.5	Very low	34.6	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	79%	0.786	S	S	*	*				171.5	96.3	128.3	-102.5	-43.8	0	0	0	112.2
248	S	39.1	Very low	34.9	Very low	113 Å²	113	145.4 Å²	145.4	79%	0.79	79%	0.789	S	S	*	*			trans	51.9	167.2	149.9	-64	0	0	0	0	122.5
249	P	48.6	Very low	35.1	Very low	124 Å²	124	141.1 Å²	141.1	81%	0.805	79%	0.787	S	S	*	*			cis	-129.2	158.5	-36.9	37.5	-23.3	0	0	0	113.6
250	D	30.3	Very low	35.5	Very low	152 Å²	152	144.5 Å²	144.5	81%	0.813	80%	0.796	S	S	*	*			trans	-162.3	139.5	146.5	-167.3	8.3	0	0	0	110.5
251	S	32.5	Very low	35.8	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	80%	0.798	S	S	*	*			trans	178	121.9	158.4	-80.8	0	0	0	0	111
252	S	37.6	Very low	36.2	Very low	108 Å²	108	143.1 Å²	143.1	76%	0.755	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-55.9	146.9	173.4	-171.4	0	0	0	0	114
253	P	43.2	Very low	36.2	Very low	115 Å²	115	144.1 Å²	144.1	75%	0.747	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-73.7	162.4	158.4	33.9	-33.9	0	0	0	111.5
254	E	35	Very low	36.3	Very low	167 Å²	167	144.2 Å²	144.2	78%	0.78	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-83	144.6	-178.7	-64.3	158.1	51.3	0	0	113
255	E	35.2	Very low	36.2	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	80%	0.798	S	S	*	*			trans	-112.4	125.1	155.6	-71.6	-164.5	157.5	0	0	110.7	K257	E255-K257 PolarHBondContact O-N 3.08Å
256	Q	33.8	Very low	36.4	Very low	173 Å²	173	139.9 Å²	139.9	81%	0.808	80%	0.797	S	S	*	*			trans	-85.4	107.2	-171.6	-64.8	177.5	-18	0	0	110.5	S258	Q256-S258 PolarHBondContact O-N 3.49Å
257	K	36.1	Very low	35.9	Very low	194 Å²	194	140.6 Å²	140.6	84%	0.843	80%	0.798	S	S	*	*			trans	-84.2	112.5	172.9	29.4	-177.5	153.7	-68.4	0	110.4	E255 V259	E255-K257 PolarHBondContact O-N 3.08Å; K257-V259 PolarHBondContact O-N 3.39Å
258	S	33.3	Very low	35.6	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	80%	0.796	S	S	*	*			trans	-56.8	131.2	175.6	-59.2	0	0	0	0	111.8	Q256	Q256-S258 PolarHBondContact O-N 3.49Å
259	V	35.4	Very low	35.2	Very low	132 Å²	132	143.2 Å²	143.2	80%	0.8	80%	0.797	S	S	*	*			trans	-76.2	120.3	161.6	176	0	0	0	0	107.6	K257 E261	K257-V259 PolarHBondContact O-N 3.39Å; V259-E261 HydrophobicContact CG1-CB 4.41Å
260	I	35.7	Very low	34.4	Very low	157 Å²	157	142.6 Å²	142.6	81%	0.805	79%	0.791	S	S	*	*			trans	-99.6	99.7	166.6	-61.1	-179.6	0	0	0	107.1
261	E	35.5	Very low	34.5	Very low	162 Å²	162	140.8 Å²	140.8	76%	0.757	79%	0.787	S	S	*	*			trans	-88.9	135.3	175.7	-175.6	177.5	174.6	0	0	109.5	V259 P263	V259-E261 HydrophobicContact CG1-CB 4.41Å; E261-P263 VanDerWaalsContact O-CD 3.24Å; E261-P263 WeakPolarHBondContact O-CD 3.46Å
262	I	39.5	Very low	34.6	Very low	149 Å²	149	145.2 Å²	145.2	76%	0.764	79%	0.793	S	S	*	*			trans	-83.3	112.3	-178.2	-58.8	173.1	0	0	0	109.4	T264	I262-T264 PolarHBondContact O-N 2.75Å
263	P	36	Very low	34.2	Very low	123 Å²	123	147.1 Å²	147.1	80%	0.799	80%	0.8	S	S	*	*			trans	-78.3	115	-174.4	-14.2	31.7	0	0	0	111.9	E261	E261-P263 VanDerWaalsContact O-CD 3.24Å; E261-P263 WeakPolarHBondContact O-CD 3.46Å
264	T	32.5	Very low	33.6	Very low	133 Å²	133	149 Å²	149	82%	0.816	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-87.6	140.1	163.2	-60.4	0	0	0	0	109.8	I262	I262-T264 PolarHBondContact O-N 2.75Å
265	A	31.6	Very low	33.3	Very low	91 Å²	91	146.6 Å²	146.6	75%	0.752	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-62.1	133.8	-166.7	0	0	0	0	0	114.5
266	P	33.9	Very low	33	Very low	125 Å²	125	145.8 Å²	145.8	81%	0.812	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-84	140.1	176.6	32.9	-33.9	0	0	0	112.6
267	M	33.7	Very low	32.8	Very low	176 Å²	176	142.5 Å²	142.5	87%	0.867	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.1	137.4	169.3	-73.2	-172.8	69.2	0	0	112.1
268	E	29.3	Very low	32.5	Very low	166 Å²	166	141.7 Å²	141.7	78%	0.776	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-60.1	131.6	175.9	-172.6	-176.8	167.3	0	0	112.4	V270	E268-V270 HydrophobicContact CG-CG2 4.12Å; E268-V270 WeakPolarHBondContact OE1-CG2 3.46Å
269	N	29.7	Very low	32.5	Very low	152 Å²	152	143.7 Å²	143.7	81%	0.813	79%	0.787	S	S	*	*			trans	-130.3	113.9	166.8	-84.2	-95.2	0	0	0	109.2
270	V	31.7	Very low	32.6	Very low	112 Å²	112	142.4 Å²	142.4	68%	0.679	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-87.1	140.4	-178.2	-178.1	0	0	0	0	111	E268	E268-V270 HydrophobicContact CG-CG2 4.12Å; E268-V270 WeakPolarHBondContact OE1-CG2 3.46Å
271	P	34.2	Very low	32.2	Very low	113 Å²	113	140.5 Å²	140.5	73%	0.734	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70.9	159.3	-175.1	-21.3	34.3	0	0	0	116.4
272	F	33.5	Very low	31.8	Very low	209 Å²	209	143.6 Å²	143.6	92%	0.917	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-60.8	153.2	172.4	-80.3	-100.9	0	0	0	114.1
273	T	28.5	Very low	31.3	Very low	147 Å²	147	142.5 Å²	142.5	90%	0.902	78%	0.782	S	S	*	*			trans	-129.8	159.5	155.2	54.3	0	0	0	0	112.6
274	E	31.1	Very low	30.9	Very low	156 Å²	156	144.9 Å²	144.9	73%	0.729	78%	0.784	S	S	*	*			trans	-108	144.5	-157.5	-171.5	-138.2	136.7	0	0	113.8
275	S	28.7	Very low	31.3	Very low	115 Å²	115	143.6 Å²	143.6	80%	0.804	78%	0.779	S	S	*	*			trans	-144.7	71.5	168.7	48.7	0	0	0	0	116.2
276	K	29.4	Very low	31	Very low	168 Å²	168	145.7 Å²	145.7	73%	0.73	78%	0.782	S	S	*	*			trans	47.5	103.9	133.3	-67.6	166.1	-178.1	156.6	0	119.9
277	S	28.8	Very low	30.7	Very low	104 Å²	104	145 Å²	145	73%	0.727	78%	0.78	S	S	*	*				124.4	130.3	101.9	76.6	0	0	0	0	121.8
278	K	29.9	Very low	30.4	Very low	177 Å²	177	142.4 Å²	142.4	77%	0.77	77%	0.774	S	S	*	*			trans	77.3	108.5	139.8	-72.4	169.9	178.8	174.8	0	123.5
279	I	34.6	Very low	30.7	Very low	150 Å²	150	140.5 Å²	140.5	77%	0.769	78%	0.777	S	S	*	*				71.7	138.7	119.2	-68.1	169.1	0	0	0	119.1
280	P	37.2	Very low	30.6	Very low	105 Å²	105	137.6 Å²	137.6	68%	0.682	77%	0.774	S	S	*	*			cis	-147.4	162.2	-25.3	41.9	-21.7	0	0	0	118.5
281	V	26.8	Very low	31.9	Very low	118 Å²	118	138 Å²	138	72%	0.715	78%	0.778	S	S	*	*			trans	45.8	127.5	135.3	-178.2	0	0	0	0	123.6
282	R	28	Very low	32.2	Very low	226 Å²	226	138 Å²	138	85%	0.853	78%	0.778	S	S	*	*			trans	68.9	155.9	161.1	-83.3	177.7	155.3	104.5	-3.3	116.4
283	T	27.4	Very low	31.8	Very low	126 Å²	126	132.8 Å²	132.8	77%	0.773	77%	0.768	S	S	*	*			cis	-152.5	165	17.2	-21	0	0	0	0	112.6
284	M	29.3	Very low	31.9	Very low	173 Å²	173	130.2 Å²	130.2	85%	0.852	76%	0.762	S	S	*	*			trans	-97.1	175.7	161.1	-70.7	-74.2	179.9	0	0	110
285	P	40.9	Very low	31.6	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	77%	0.769	S	S	*	*			cis	-143.5	-175.1	10.7	46.4	-27.9	0	0	0	117.7
286	T	25.4	Very low	31.5	Very low	134 Å²	134	135 Å²	135	82%	0.822	77%	0.765	S	S	*	*			trans	56	122.2	144.4	-59.3	0	0	0	0	122.5
287	S	26.9	Very low	31.5	Very low	111 Å²	111	133.4 Å²	133.4	78%	0.776	76%	0.76	S	S	*	*				-176.6	138.2	115.5	-160.3	0	0	0	0	114
288	T	27.7	Very low	31.3	Very low	121 Å²	121	133.1 Å²	133.1	74%	0.742	76%	0.758	S	S	*	*			trans	-86.2	163.9	156.9	-17.8	0	0	0	0	109.5
289	P	35.6	Very low	31	Very low	127 Å²	127	129 Å²	129	83%	0.825	75%	0.751	S	S	*	*				-148.8	-167.1	83.7	40	-19.6	0	0	0	115.9
290	A	28	Very low	30.5	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	75%	0.753	S	S	*	*			trans	-78.5	177.6	-163.3	0	0	0	0	0	116.7
291	P	59	Low	30	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	76%	0.764	S	S	*	*			trans	-93.5	-169.1	-168.4	40.5	-36.7	0	0	0	113.8
292	P	40.1	Very low	30	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	77%	0.766	S	S	*	*				-147.8	176.6	109.4	42.1	-27.9	0	0	0	116.4
293	S	25.7	Very low	30.3	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	77%	0.77	S	S	*	*			trans	22.2	123.3	151.6	55.4	0	0	0	0	120.3
294	A	30	Very low	30.2	Very low	94 Å²	94	130.9 Å²	130.9	78%	0.777	77%	0.767	S	S	*	*				79.1	169.2	61.7	0	0	0	0	0	114
295	E	25.4	Very low	30.1	Very low	187 Å²	187	130 Å²	130	87%	0.874	77%	0.765	S	S	*	*			trans	76.2	144.5	-167.9	-60.9	174.1	-157.7	0	0	114.5
296	Y	25.5	Very low	29.5	Very low	184 Å²	184	130.2 Å²	130.2	72%	0.722	77%	0.769	S	S	*	*			cis	-162.3	-167.7	-21	72.7	-55.5	0	0	0	109.8
297	E	30	Very low	30	Very low	135 Å²	135	128.5 Å²	128.5	63%	0.631	76%	0.763	S	S	*	*			trans	62.5	111.3	-173.2	-48.8	-57.6	55.7	0	0	115.9
298	S	23	Very low	30.3	Very low	98 Å²	98	129 Å²	129	69%	0.685	76%	0.761	S	S	*	*			cis	79	144.2	22.8	-156.6	0	0	0	0	116.6
299	S	25.5	Very low	30.6	Very low	89 Å²	89	129.5 Å²	129.5	62%	0.622	76%	0.759	S	S	*	*			trans	70	89.5	163.2	-49.6	0	0	0	0	115.5
300	V	22.8	Very low	30.8	Very low	134 Å²	134	131.3 Å²	131.3	81%	0.812	76%	0.756	S	S	*	*				58.5	133.4	75.4	-43.3	0	0	0	0	115.2
301	S	27.6	Very low	31.1	Very low	129 Å²	129	134.7 Å²	134.7	90%	0.902	76%	0.757	S	S	*	*			trans	-155	75.3	165.1	-68.7	0	0	0	0	108.2
302	E	27.1	Very low	29.8	Very low	165 Å²	165	134.9 Å²	134.9	77%	0.771	75%	0.751	S	S	*	*			trans	-81.3	127.6	155	-74.7	-176.8	106.5	0	0	107.6	F304	E302-F304 HydrophobicContact CB-CE2 4.42Å; E302-F304 WeakPolarHBondContact O-CD2 3.19Å; E302-F304 WeakPolarHBondContact O-CE2 3.45Å
303	D	34.3	Very low	29.8	Very low	174 Å²	174	137.9 Å²	137.9	93%	0.93	75%	0.753	S	S	*	*			trans	-92.5	142.3	167.1	-114.1	-44	0	0	0	109.4
304	F	24.9	Very low	30.3	Very low	164 Å²	164	137.7 Å²	137.7	72%	0.719	76%	0.757	S	S	*	*			trans	-104.2	143.4	-156	-85.2	-109	0	0	0	115.2	E302	E302-F304 HydrophobicContact CB-CE2 4.42Å; E302-F304 WeakPolarHBondContact O-CD2 3.19Å; E302-F304 WeakPolarHBondContact O-CE2 3.45Å
305	L	26.6	Very low	30.5	Very low	155 Å²	155	139.9 Å²	139.9	81%	0.812	76%	0.756	S	S	*	*			trans	62.5	104	143.9	-64.9	167.1	0	0	0	120.6
306	S	28.5	Very low	30.8	Very low	111 Å²	111	139.6 Å²	139.6	78%	0.776	75%	0.754	S	S	*	*			trans	-141.7	114.6	133.2	60.3	0	0	0	0	107.8
307	S	35.8	Very low	31.1	Very low	98 Å²	98	135 Å²	135	69%	0.685	76%	0.755	S	S	*	*				58.6	116	92.3	-166.7	0	0	0	0	111.7
308	V	33.2	Very low	31.4	Very low	122 Å²	122	138.2 Å²	138.2	74%	0.739	77%	0.767	S	S	*	*	S	Bend	cis	-152.3	143.7	23.1	81	0	0	0	0	109.5
309	D	33.6	Very low	32.4	Very low	131 Å²	131	139 Å²	139	70%	0.701	77%	0.769	S	S	*	*			cis	-170.7	154.6	-18	-97.5	178.2	0	0	0	104.5
310	E	40.4	Very low	32.8	Very low	164 Å²	164	144.2 Å²	144.2	77%	0.766	78%	0.781	S	S	*	*			cis	-167.3	-161	-14.6	-132.6	-63.6	117	0	0	107.5
311	E	34.4	Very low	33.3	Very low	163 Å²	163	143.3 Å²	143.3	76%	0.762	78%	0.78	S	S	*	*			trans	88.3	90.9	159.6	-140.8	179.1	142.5	0	0	121.3
312	N	31.7	Very low	34	Very low	123 Å²	123	146.4 Å²	146.4	66%	0.658	78%	0.778	S	S	*	*			trans	63.8	119.2	141.7	-74.8	-63.2	0	0	0	125.3
313	K	39.1	Very low	34.6	Very low	176 Å²	176	146.2 Å²	146.2	77%	0.765	78%	0.781	S	S	*	*				31.7	144.1	111.3	-52.2	-61.2	-174.9	179.4	0	118.8
314	A	37.3	Very low	34.7	Very low	95 Å²	95	143.4 Å²	143.4	79%	0.785	77%	0.772	S	S	*	*			cis	-172.4	-176.2	36.2	0	0	0	0	0	110.9
315	D	33.8	Very low	35	Very low	140 Å²	140	141.8 Å²	141.8	75%	0.749	78%	0.775	S	S	*	*				-169.7	178.9	-55.7	-141.8	-52.5	0	0	0	110
316	E	31.4	Very low	35.2	Very low	182 Å²	182	143.4 Å²	143.4	85%	0.85	78%	0.776	S	S	*	*			trans	80.3	147.6	158.6	-121.2	-169	122.3	0	0	125.8
317	A	32.5	Very low	35.5	Very low	88 Å²	88	144.3 Å²	144.3	73%	0.727	78%	0.776	S	S	*	*			trans	82.4	111.9	149.3	0	0	0	0	0	124.4
318	K	36.6	Very low	35.6	Very low	202 Å²	202	145.1 Å²	145.1	88%	0.878	78%	0.779	S	S	*	*			trans	-117.2	156	152.6	-58.8	172.6	179.4	173.8	0	107.3
319	P	43.4	Very low	35.3	Very low	115 Å²	115	146.9 Å²	146.9	75%	0.747	78%	0.784	S	S	*	*				-166.3	143.5	92.1	40.1	-17.6	0	0	0	121.2
320	K	33.6	Very low	35	Very low	198 Å²	198	148 Å²	148	86%	0.861	79%	0.785	S	S	*	*				52.1	151.5	126	-56.3	179	179	177.3	0	125.4
321	S	34.5	Very low	34.5	Very low	115 Å²	115	148.5 Å²	148.5	80%	0.804	78%	0.779	S	S	*	*			trans	76.8	138.1	160.6	69.3	0	0	0	0	118
322	K	41.6	Very low	34.4	Very low	194 Å²	194	146.6 Å²	146.6	84%	0.843	78%	0.779	S	S	*	*			cis	98.4	92.5	18.4	-72.4	-153.5	174.3	-167.6	0	117.7
323	L	40.2	Very low	34.4	Very low	161 Å²	161	147.6 Å²	147.6	84%	0.843	78%	0.779	S	S	*	*			trans	51.3	147.2	141.6	-66.1	169.9	0	0	0	120
324	P	36.6	Very low	33.9	Very low	114 Å²	114	148.8 Å²	148.8	74%	0.74	79%	0.788	S	S	*	*			cis	-157.3	174.5	47.4	43.9	-21.8	0	0	0	120.7
325	V	29.3	Very low	33.3	Very low	130 Å²	130	152 Å²	152	79%	0.788	79%	0.787	S	S	*	*			trans	61.4	117.6	143.9	171.3	0	0	0	0	123.6
326	K	32.4	Very low	32.9	Very low	190 Å²	190	152 Å²	152	83%	0.826	79%	0.786	S	S	*	*			trans	42.8	119.8	147.2	-72.7	-178.2	170.3	177.1	0	123.6
327	V	34.6	Very low	32.6	Very low	130 Å²	130	148.2 Å²	148.2	79%	0.788	78%	0.779	S	S	*	*			trans	5.3	144.4	132.3	-103	0	0	0	0	118.2
328	P	36.8	Very low	32.3	Very low	114 Å²	114	150.9 Å²	150.9	74%	0.74	78%	0.781	S	S	*	*			cis	-147.6	162.9	42	42.3	-22.5	0	0	0	121
329	L	26.6	Very low	31.9	Very low	159 Å²	159	148.7 Å²	148.7	83%	0.832	78%	0.778	S	S	*	*			trans	28.5	116	146.6	-77	163.4	0	0	0	121.6
330	Q	28.5	Very low	31	Very low	155 Å²	155	150.8 Å²	150.8	72%	0.724	78%	0.783	S	S	*	*				162.2	153.6	125.1	-89.5	172.5	49.2	0	0	108.7
331	R	30.5	Very low	30.6	Very low	174 Å²	174	146.5 Å²	146.5	66%	0.657	77%	0.774	S	S	*	*			cis	-171.3	170.2	-19.2	-178.5	-169.7	-74	101.8	3.4	104.3
332	V	32.1	Very low	30.1	Very low	124 Å²	124	146.5 Å²	146.5	75%	0.752	77%	0.774	S	S	*	*			trans	103.8	130	153.8	176.3	0	0	0	0	115.3
333	E	30.7	Very low	29.6	Very low	143 Å²	143	143.2 Å²	143.2	67%	0.668	77%	0.77	S	S	*	*			cis	-163.2	107.6	-25.5	-162	156.5	112.1	0	0	111.4
334	Q	29.6	Very low	29	Very low	201 Å²	201	142.5 Å²	142.5	94%	0.939	76%	0.762	S	S	*	*			trans	-162.6	135.4	141.1	-111.6	151.8	74.8	0	0	108.5
335	Q	24.1	Very low	28.5	Very low	163 Å²	163	145.5 Å²	145.5	76%	0.762	76%	0.764	S	S	*	*			trans	-162.3	171	-158.6	-168.7	-170.5	-32	0	0	107.8
336	L	25.6	Very low	28.4	Very low	141 Å²	141	145.2 Å²	145.2	74%	0.738	76%	0.763	S	S	*	*			trans	85	132.4	165.2	-53.7	175.4	0	0	0	115.1
337	S	25	Very low	28	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	76%	0.763	S	S	*	*			cis	-160	164.6	-9.1	-74.2	0	0	0	0	112.2
338	D	26.8	Very low	27.6	Very low	144 Å²	144	140.7 Å²	140.7	77%	0.77	76%	0.759	S	S	*	*			trans	-66.3	176	147.2	-74.3	-72.6	0	0	0	113.2
339	L	28.3	Very low	27.8	Very low	156 Å²	156	140.5 Å²	140.5	82%	0.817	76%	0.758	S	S	*	*			trans	67.6	136.4	169.3	-97	69	0	0	0	117.3
340	D	24.2	Very low	27.8	Very low	159 Å²	159	141.7 Å²	141.7	85%	0.85	76%	0.76	S	S	*	*				-153.9	166.7	105.3	-147.6	-12.1	0	0	0	112.2
341	T	23.8	Very low	27.7	Very low	108 Å²	108	137.1 Å²	137.1	66%	0.663	75%	0.754	S	S	*	*			trans	-117.1	150.1	-178.7	-49.8	0	0	0	0	111.1
342	S	25.8	Very low	27.7	Very low	115 Å²	115	137.2 Å²	137.2	80%	0.804	76%	0.762	S	S	*	*			trans	-71.8	134.1	-176.2	-175.9	0	0	0	0	114.6
343	V	30.6	Very low	27.3	Very low	126 Å²	126	136.5 Å²	136.5	76%	0.764	75%	0.754	S	S	*	*			trans	-155.8	141.9	168	-87.5	0	0	0	0	108.5
344	Q	27.6	Very low	27.3	Very low	145 Å²	145	137 Å²	137	68%	0.678	76%	0.758	S	S	*	*			cis	-122.3	-159.4	1.7	-58.9	-175.1	-23.5	0	0	108.3
345	K	25.5	Very low	27.1	Very low	177 Å²	177	131.6 Å²	131.6	77%	0.77	75%	0.747	S	S	*	*			cis	-156.6	-166.7	13.5	-150.9	150.8	-169.1	144.1	0	111.7
346	T	26.5	Very low	27.2	Very low	125 Å²	125	128.4 Å²	128.4	77%	0.767	74%	0.743	S	S	*	*			trans	-122.8	154.6	-155.3	-34.2	0	0	0	0	114.6
347	V	24.3	Very low	27.3	Very low	139 Å²	139	129 Å²	129	84%	0.842	75%	0.746	S	S	*	*			trans	115.2	130.3	156.5	-177	0	0	0	0	115.4
348	A	26.1	Very low	27.7	Very low	85 Å²	85	128.3 Å²	128.3	70%	0.702	75%	0.746	S	S	*	*			trans	-81.5	178.3	-178.5	0	0	0	0	0	112
349	P	42.3	Very low	28.5	Very low	110 Å²	110	126.9 Å²	126.9	71%	0.714	74%	0.744	S	S	*	*			cis	-149.3	-172.9	22.7	45.8	-25.1	0	0	0	118.5
350	Q	25.9	Very low	28.5	Very low	185 Å²	185	126 Å²	126	86%	0.864	74%	0.741	S	S	*	*			trans	70.6	127.9	142.4	-167.3	172.9	12.1	0	0	121.3
351	G	26.3	Very low	28.7	Very low	59 Å²	59	122.9 Å²	122.9	61%	0.608	72%	0.724	S	S	*	*			trans	132.1	125.6	171.8	0	0	0	0	0	110.8
352	Q	30.6	Very low	29.2	Very low	175 Å²	175	127.5 Å²	127.5	82%	0.818	73%	0.729	S	S	*	*				66.3	131.8	57.7	-66.7	-163.4	-91.9	0	0	113
353	D	24.7	Very low	29.7	Very low	110 Å²	110	126.5 Å²	126.5	59%	0.588	72%	0.722	S	S	*	*			cis	-164.2	173.2	-2.2	-133.2	-49	0	0	0	111.3
354	M	29.3	Very low	29.8	Very low	154 Å²	154	129.3 Å²	129.3	76%	0.759	72%	0.724	S	S	*	*			trans	55.4	120.4	160.4	-59.9	-82.8	91.9	0	0	118.3
355	A	26.9	Very low	30	Very low	86 Å²	86	127.8 Å²	127.8	71%	0.711	73%	0.729	S	S	*	*				60.7	136.1	81.5	0	0	0	0	0	113.5
356	S	25.5	Very low	30.2	Very low	97 Å²	97	128.8 Å²	128.8	68%	0.678	74%	0.737	S	S	*	*			cis	177.9	-174.5	43.1	55.7	0	0	0	0	111.6
357	I	27.8	Very low	30.5	Very low	153 Å²	153	128.5 Å²	128.5	79%	0.785	74%	0.74	S	S	*	*			trans	71.5	104.2	150.6	-70.7	166.4	0	0	0	117.9
358	A	32.6	Very low	30.8	Very low	86 Å²	86	129.6 Å²	129.6	71%	0.711	74%	0.741	S	S	*	*			trans	-74.9	163.6	135.3	0	0	0	0	0	108.3
359	P	44	Very low	30.9	Very low	114 Å²	114	129.7 Å²	129.7	74%	0.74	74%	0.742	S	S	*	*			cis	-161.4	-171.7	42.6	47.6	-25.6	0	0	0	119
360	D	28.1	Very low	30	Very low	138 Å²	138	129.2 Å²	129.2	74%	0.738	74%	0.741	S	S	*	*			trans	70.8	159.5	136.7	-156.1	18.8	0	0	0	122.6
361	N	28.3	Very low	30	Very low	94 Å²	94	125.1 Å²	125.1	50%	0.503	73%	0.733	S	S	.	*			trans	93.1	92.7	157.6	-75.1	-77.5	0	0	0	122.6
362	R	34.2	Very low	30	Very low	205 Å²	205	130 Å²	130	77%	0.774	74%	0.744	S	S	*	*				64.4	117.2	96.8	-174.4	-135.9	-140.8	102.2	0.2	119.4
363	S	36	Very low	29.9	Very low	93 Å²	93	128.3 Å²	128.3	65%	0.65	74%	0.741	S	S	*	*				161.5	131.6	114.7	-71.3	0	0	0	0	116
364	K	33.2	Very low	30.3	Very low	185 Å²	185	127 Å²	127	80%	0.804	74%	0.741	S	S	*	*			trans	50.6	130.2	131.8	-59	-172.3	175.5	-166.8	0	120.5
365	S	31.9	Very low	30.3	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	74%	0.744	S	S	*	*			cis	79.8	110.1	47.5	-54.4	0	0	0	0	115.3
366	E	30.6	Very low	30.5	Very low	199 Å²	199	130.3 Å²	130.3	93%	0.93	75%	0.745	S	S	*	*			trans	-162	163.1	147.5	54.8	-167.7	108.3	0	0	111.4
367	S	32.1	Very low	31.1	Very low	119 Å²	119	135.8 Å²	135.8	83%	0.832	76%	0.756	S	S	*	*			trans	-132.5	153.2	-169.1	-53.4	0	0	0	0	112.7
368	D	30.9	Very low	31.2	Very low	161 Å²	161	134.1 Å²	134.1	86%	0.861	76%	0.757	S	S	*	*			trans	46.7	119.7	150.6	-169.9	20	0	0	0	120.7
369	A	26.9	Very low	31.7	Very low	88 Å²	88	135.7 Å²	135.7	73%	0.727	76%	0.76	S	S	*	*			trans	-160.3	104.5	160.9	0	0	0	0	0	115.6
370	S	23.6	Very low	31	Very low	100 Å²	100	136.1 Å²	136.1	70%	0.699	76%	0.76	S	S	*	*				58.6	115.7	129.2	74.5	0	0	0	0	123.3
371	S	25.8	Very low	31.2	Very low	99 Å²	99	139 Å²	139	69%	0.692	77%	0.767	S	S	*	*				65.1	115.7	110.4	-175.2	0	0	0	0	123.7
372	L	27.2	Very low	31.2	Very low	160 Å²	160	141 Å²	141	84%	0.838	78%	0.782	S	S	*	*			trans	63.5	112.3	136.6	-73	170	0	0	0	123.1
373	D	28.4	Very low	31	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	79%	0.786	S	S	*	*				137.4	145.2	105.1	-165.2	44.9	0	0	0	119.3
374	S	32	Very low	30.6	Very low	84 Å²	84	141.9 Å²	141.9	59%	0.587	78%	0.784	S	S	*	*			trans	22.7	123	161.3	71.7	0	0	0	0	124.1
375	K	30.9	Very low	30.3	Very low	189 Å²	189	142.7 Å²	142.7	82%	0.822	78%	0.784	S	S	*	*				-168	116.5	108.7	-113.9	174.6	179.4	162.4	0	118.4
376	T	31.2	Very low	30	Very low	119 Å²	119	142.6 Å²	142.6	73%	0.73	78%	0.778	S	S	*	*			trans	42.9	99.9	138.4	58.4	0	0	0	0	121.3
377	K	37.3	Very low	30	Very low	212 Å²	212	140.6 Å²	140.6	92%	0.922	77%	0.769	S	S	*	*				-170.6	156.5	119.7	-103.2	167	-176.6	179.3	0	111.7
378	C	30	Very low	29.7	Very low	118 Å²	118	140.5 Å²	140.5	80%	0.797	76%	0.764	S	S	*	*			trans	-120.2	-175.2	-176.2	-44.7	0	0	0	0	109
379	P	43.5	Very low	29.5	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	75%	0.747	S	S	*	*			cis	-138.8	-178	8.7	44.3	-25.9	0	0	0	115.3
380	V	29.3	Very low	29.5	Very low	124 Å²	124	138.7 Å²	138.7	75%	0.752	74%	0.742	S	S	*	*			cis	-166.3	127.1	-23.9	140.4	0	0	0	0	109
381	K	31.4	Very low	29.6	Very low	199 Å²	199	139 Å²	139	87%	0.865	73%	0.732	S	S	*	*				-178.3	138.1	125.6	-110.2	176	178.4	-179	0	113.3
382	T	28.5	Very low	29.7	Very low	134 Å²	134	136.9 Å²	136.9	82%	0.822	72%	0.718	S	S	*	*			trans	-61.5	159	166.8	13.9	0	0	0	0	111.9
383	R	29.1	Very low	29.7	Very low	230 Å²	230	138.6 Å²	138.6	87%	0.868	71%	0.713	S	S	*	*			cis	-151.7	-174	29.3	-110.3	-165.4	155.4	159	-8.1	109.2
384	S	29.2	Very low	29.7	Very low	87 Å²	87	137 Å²	137	61%	0.608	70%	0.701	S	S	*	*				-175	156.1	-52.8	63.3	0	0	0	0	111.8
385	Y	25.4	Very low	29.5	Very low	203 Å²	203	141.5 Å²	141.5	80%	0.796	71%	0.705	S	S	*	*			trans	-53.9	163.4	156.8	-137.7	-141.5	0	0	0	110.9
386	T	26.2	Very low	29.3	Very low	110 Å²	110	136.4 Å²	136.4	68%	0.675	70%	0.698	S	S	*	*			cis	-151	177.4	33.6	51.5	0	0	0	0	112.6
387	E	30.6	Very low	29	Very low	157 Å²	157	138.1 Å²	138.1	73%	0.734	70%	0.698	S	S	*	*			trans	-59.8	161.7	151.2	-60.8	154	99.1	0	0	112.8
388	T	25.8	Very low	28.4	Very low	117 Å²	117	135.5 Å²	135.5	72%	0.718	69%	0.689	S	S	*	*				161.6	116.5	127	45.9	0	0	0	0	111.3
389	E	27.2	Very low	28.1	Very low	111 Å²	111	136.8 Å²	136.8	52%	0.519	69%	0.687	S	S	.	*				36.3	111.5	110	-76.3	-147.6	121.2	0	0	119.8	I5 S6	I5-E389 VanDerWaalsContact O-OE1 3.08Å; S6-E389 VanDerWaalsContact CB-CB 3.46Å; S6-E389 WeakPolarHBondContact CB-OE1 3.13Å; S6-E389 VanDerWaalsContact OG-CB 3.23Å; S6-E389 WeakPolarHBondContact OG-CB 3.1Å
390	T	26.4	Very low	27.2	Very low	101 Å²	101	139.4 Å²	139.4	62%	0.62	69%	0.689	S	S	*	*			trans	-158.7	135.1	137.5	-2.5	0	0	0	0	116.2	I5 S6 K7	I5-T390 HydrophobicContact CG2-CG2 4Å; S6-T390 WeakPolarHBondContact OG-CA 3.28Å; S6-T390 PolarHBondContact OG-N 3.38Å; K7-T390 CarbonylContact C-O 3.55Å; K7-T390 WeakPolarHBondContact CB-O 3.24Å; K7-T390 PolarHBondContact N-O 3.33Å; K7-T390 CarbonylContact O-C 3.44Å; K7-T390 PolarHBondContact O-N 3.36Å; K7-T390 VanDerWaalsContact O-O 3.14Å
391	E	26.8	Very low	27.1	Very low	105 Å²	105	141 Å²	141	49%	0.491	69%	0.693	S	S	.	*			trans	-31.1	159	-178.2	-125.2	-176.3	56.1	0	0	125.9	I5	I5-E391 HydrophobicContact CB-CG 4.32Å; I5-E391 WeakPolarHBondContact CG1-OE2 3.08Å; I5-E391 HydrophobicContact CG2-CB 3.49Å; I5-E391 VanDerWaalsContact CG2-CB 3.49Å; I5-E391 HydrophobicContact CG2-CG 3.61Å
392	S	27.4	Very low	26.8	Very low	55 Å²	55	140.1 Å²	140.1	39%	0.385	69%	0.692	S	S	.	*				84.9	154.5	127.5	79	0	0	0	0	122.7	K7	K7-S392 VanDerWaalsContact CE-O 3.27Å; K7-S392 WeakPolarHBondContact CE-O 3.36Å; K7-S392 PolarHBondContact NZ-O 2.77Å
393	R	27.2	Very low	26.7	Very low	197 Å²	197	138.6 Å²	138.6	74%	0.743	69%	0.686	S	S	*	*			trans	74.3	142.3	141.1	-142.4	143.6	-170.8	157.4	11.2	117.4	K7	K7-R393 PolarHBondContact NZ-O 2.78Å; K7-R393 VanDerWaalsContact NZ-O 3.15Å
394	E	27.3	Very low	26.7	Very low	107 Å²	107	136 Å²	136	50%	0.5	68%	0.684	S	S	.	*			cis	-144.7	-179.9	-23.6	-140.2	-176.8	123.4	0	0	110
395	R	29.3	Very low	26.8	Very low	177 Å²	177	140 Å²	140	67%	0.668	69%	0.693	S	S	*	*			trans	14.8	120.9	153.4	-78.9	-175.8	158.1	79.9	6	118.6	E397	R395-E397 IonicContact NE-OE1 3.55Å
396	A	25.1	Very low	27	Very low	82 Å²	82	133.5 Å²	133.5	68%	0.678	69%	0.687	S	S	*	*				81.7	166.8	57.8	0	0	0	0	0	113
397	E	26.4	Very low	27.2	Very low	155 Å²	155	133 Å²	133	72%	0.724	69%	0.694	S	S	*	*			trans	68.7	141.6	175.7	-72.2	144.5	-138.4	0	0	113.9	R395	R395-E397 IonicContact NE-OE1 3.55Å
398	E	23.5	Very low	27	Very low	158 Å²	158	132 Å²	132	74%	0.738	70%	0.699	S	S	*	*			cis	-165.8	129.8	-9.1	-178.4	169.9	-163.4	0	0	110.5
399	L	25.1	Very low	28.1	Very low	144 Å²	144	138.3 Å²	138.3	75%	0.754	71%	0.71	S	S	*	*			trans	48	-175.7	151.2	-59.9	173.2	0	0	0	121.5
400	E	23.3	Very low	28.3	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.813	72%	0.723	S	S	*	*			trans	68.7	103.1	168.1	-48.9	-161	140.7	0	0	115.9
401	L	27.4	Very low	28.6	Very low	158 Å²	158	143.3 Å²	143.3	83%	0.827	73%	0.734	S	S	*	*				76.4	160.4	51.6	-59.8	173.4	0	0	0	114.3
402	E	24.7	Very low	28.6	Very low	181 Å²	181	145.3 Å²	145.3	85%	0.846	75%	0.746	S	S	*	*			trans	71.5	113.9	-175.5	-58.2	-159.2	82.5	0	0	113.8
403	S	27.1	Very low	28.7	Very low	101 Å²	101	149.6 Å²	149.6	71%	0.706	76%	0.764	S	S	*	*				74.5	141.6	76.9	-94.3	0	0	0	0	113.2
404	E	29.3	Very low	28.9	Very low	177 Å²	177	145.7 Å²	145.7	83%	0.827	76%	0.762	S	S	*	*			cis	-156.6	160.1	0.2	-178.6	170.9	133.3	0	0	110.1
405	E	31.8	Very low	29	Very low	171 Å²	171	145.4 Å²	145.4	80%	0.799	77%	0.772	S	S	*	*			trans	-19	126.1	163.9	-162.2	62.6	-153.7	0	0	118.1
406	G	29.6	Very low	29.8	Very low	65 Å²	65	146.7 Å²	146.7	67%	0.67	78%	0.777	S	S	*	*			trans	76	114.9	137.3	0	0	0	0	0	120.1
407	A	30	Very low	30.2	Very low	99 Å²	99	150.3 Å²	150.3	82%	0.818	78%	0.784	S	S	*	*				160.9	127.9	94.1	0	0	0	0	0	113.7
408	T	26.7	Very low	31.2	Very low	137 Å²	137	148.3 Å²	148.3	84%	0.84	78%	0.784	S	S	*	*			trans	-133.7	124.6	140.1	60.1	0	0	0	0	111.7
409	R	48.2	Very low	31.5	Very low	250 Å²	250	146.6 Å²	146.6	94%	0.943	78%	0.784	S	S	*	*			trans	-119.5	122.8	149.9	-87	-175.6	169.8	175.8	-0.7	107.2
410	P	31.9	Very low	31.8	Very low	122 Å²	122	148.7 Å²	148.7	79%	0.792	79%	0.787	S	S	*	*			trans	-108.4	151.7	154.3	33.9	-27.1	0	0	0	111.2
411	K	32.5	Very low	32.1	Very low	195 Å²	195	145.4 Å²	145.4	85%	0.848	78%	0.784	S	S	*	*			trans	-144.6	157.4	178.2	-145.1	170.9	-172	174	0	106.1
412	I	27.4	Very low	32.3	Very low	146 Å²	146	148.1 Å²	148.1	75%	0.749	78%	0.783	S	S	*	*			trans	93.3	88.5	161.1	-51	147.7	0	0	0	118.7
413	L	29.5	Very low	32.8	Very low	146 Å²	146	144.7 Å²	144.7	76%	0.764	78%	0.779	S	S	*	*				65.9	135.9	118.7	-63.4	-178.6	0	0	0	125.9
414	T	31.3	Very low	32.8	Very low	115 Å²	115	144.3 Å²	144.3	71%	0.706	77%	0.773	S	S	*	*			trans	75.7	153.5	149.3	58.5	0	0	0	0	118.7
415	S	29.7	Very low	32.8	Very low	101 Å²	101	142 Å²	142	71%	0.706	77%	0.771	S	S	*	*			cis	-161.3	166.4	23.3	104.2	0	0	0	0	111.5
416	R	45.5	Very low	32.8	Very low	204 Å²	204	139.2 Å²	139.2	77%	0.77	77%	0.77	S	S	*	*			cis	-176.7	144.5	-10.5	-108.7	168.4	-168.2	-110	2.8	110.3
417	L	34.3	Very low	33.2	Very low	158 Å²	158	141.3 Å²	141.3	83%	0.827	78%	0.775	S	S	*	*			trans	65.6	160.9	161.4	-58.8	170.4	0	0	0	119.3
418	P	45.5	Very low	33.2	Very low	112 Å²	112	142.2 Å²	142.2	73%	0.727	77%	0.773	S	S	*	*			cis	-114.9	173	-41.3	34.8	-17.8	0	0	0	110.5
419	V	30.9	Very low	34	Very low	122 Å²	122	147.6 Å²	147.6	74%	0.739	78%	0.778	S	S	*	*				-162.8	129.1	68.2	165.2	0	0	0	0	111.7
420	K	31.8	Very low	33.4	Very low	188 Å²	188	139.1 Å²	139.1	82%	0.817	77%	0.769	S	S	*	*			trans	25.2	111.4	145.1	-165.8	165.6	61.4	-177.7	0	119.4
421	S	29.8	Very low	34.2	Very low	105 Å²	105	137.3 Å²	137.3	73%	0.734	77%	0.772	S	S	*	*			trans	-46.1	155.5	155.4	48.6	0	0	0	0	115.5
422	R	31.3	Very low	34.3	Very low	215 Å²	215	133.3 Å²	133.3	81%	0.811	77%	0.765	S	S	*	*				-156.3	122.4	126.8	-137.8	-178.6	70.7	178.7	-0.7	113.5
423	S	34.6	Very low	34.9	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	75%	0.754	S	S	*	*			trans	-73.2	146.6	160.2	-35.1	0	0	0	0	110.4
424	T	28	Very low	35.7	Very low	93 Å²	93	127.9 Å²	127.9	57%	0.571	75%	0.749	S	S	*	*			trans	-151.4	105.4	153.4	30.5	0	0	0	0	105.8
425	T	28.9	Very low	36.5	Very low	129 Å²	129	127.1 Å²	127.1	79%	0.791	75%	0.745	S	S	*	*				51.6	109.7	94.7	63.4	0	0	0	0	111.2
426	S	31.8	Very low	37.6	Very low	112 Å²	112	127.8 Å²	127.8	78%	0.783	74%	0.735	S	S	*	*				-144.2	158.9	61.1	46.1	0	0	0	0	111.5
427	S	38	Very low	38	Very low	110 Å²	110	123.6 Å²	123.6	77%	0.769	72%	0.724	S	S	*	*				63	144.4	55.7	-164.2	0	0	0	0	114.3
428	C	29.4	Very low	39.1	Very low	117 Å²	117	120.4 Å²	120.4	79%	0.791	72%	0.715	S	S	*	*			trans	71.1	124.1	-161.2	-55.4	0	0	0	0	113.1
429	R	43.1	Very low	40.2	Very low	250 Å²	250	121.4 Å²	121.4	94%	0.943	71%	0.708	S	S	*	*			cis	69.8	103.8	48.4	-173.5	-166.3	-97.9	-108.3	1.4	112.2
430	G	36.9	Very low	42.3	Very low	72 Å²	72	120.9 Å²	120.9	74%	0.742	70%	0.697	S	S	*	*			trans	164.5	127	171.1	0	0	0	0	0	109.2
431	G	48.2	Very low	44.3	Very low	84 Å²	84	117.5 Å²	117.5	87%	0.866	68%	0.684	S	S	*	*			trans	-74.6	166.1	-170.5	0	0	0	0	0	114.6
432	T	34.4	Very low	46.5	Very low	112 Å²	112	118.7 Å²	118.7	69%	0.687	68%	0.676	S	S	*	*			trans	-123.4	145.7	168.9	52.1	0	0	0	0	110.7
433	S	39.8	Very low	48.9	Very low	74 Å²	74	113.8 Å²	113.8	52%	0.517	66%	0.661	S	S	.	*			trans	-51.9	158.9	-177.2	46.7	0	0	0	0	116.6	T435	S433-T435 PolarHBondContact O-N 2.79Å; S433-T435 PolarHBondContact OG-OG1 3.31Å
434	P	46.2	Very low	51.2	Low	104 Å²	104	112.7 Å²	112.7	68%	0.675	65%	0.647	S	S	*	*	S	Bend	trans	-75.6	61.8	178.3	34.7	-38.1	0	0	0	112.1	E437	P434-E437 WeakPolarHBondContact CA-OE1 3.4Å; P434-E437 VanDerWaalsContact CA-OE2 3.28Å; P434-E437 WeakPolarHBondContact CA-OE2 3.06Å; P434-E437 WeakPolarHBondContact CB-OE1 3.31Å
435	T	47.7	Very low	53.8	Low	99 Å²	99	113 Å²	113	61%	0.607	65%	0.645	S	S	*	*	S	Bend	trans	-139.1	13.5	-178.3	57.1	0	0	0	0	111.7	S433	S433-T435 PolarHBondContact O-N 2.79Å; S433-T435 PolarHBondContact OG-OG1 3.31Å
436	K	52.7	Low	56.3	Low	115 Å²	115	114 Å²	114	50%	0.5	64%	0.635	S	S	.	*	S	Bend	trans	-108.3	-41.1	173.5	-80.5	-169.3	171.6	-169.1	0	111.6	S438 K439 E440	K436-S438 VanDerWaalsContact C-N 3.27Å; K436-S438 PolarHBondContact O-N 3.35Å; K436-K439 PolarHBondContact O-N 3.14Å; K436-E440 PolarHBondContact O-N 3.15Å
437	E	55.5	Low	58.8	Low	115 Å²	115	115.1 Å²	115.1	54%	0.537	62%	0.622	S	S	.	*	H	α-helix	trans	-53.6	-44	178.8	59.8	-97.7	-138.2	0	0	112	P434 K439 E440 H441	P434-E437 WeakPolarHBondContact CA-OE1 3.4Å; P434-E437 VanDerWaalsContact CA-OE2 3.28Å; P434-E437 WeakPolarHBondContact CA-OE2 3.06Å; P434-E437 WeakPolarHBondContact CB-OE1 3.31Å; E437-K439 VanDerWaalsContact C-N 3.29Å; E437-K439 PolarHBondContact O-N 3.07Å; E437-E440 PolarHBondContact O-N 3.47Å; E437-H441 WeakPolarHBondContact O-CB 3.33Å; E437-H441 PolarHBondContact O-N 3.36Å
438	S	57	Low	60.9	Low	92 Å²	92	114.7 Å²	114.7	64%	0.643	61%	0.611	S	S	*	*	H	α-helix	trans	-62.3	-31.2	177	161.6	0	0	0	0	113.7	K436 F442	K436-S438 VanDerWaalsContact C-N 3.27Å; K436-S438 PolarHBondContact O-N 3.35Å; S438-F442 WeakPolarHBondContact O-CB 3.43Å; S438-F442 PolarHBondContact O-N 3.3Å
439	K	68.4	Low	63.6	Low	133 Å²	133	111.6 Å²	111.6	58%	0.578	59%	0.591	S	S	*	*	H	α-helix	trans	-85.1	-34.2	179.1	-178.8	159.6	-176.4	153.4	0	112.3	K436 E437 F442 F443	K436-K439 PolarHBondContact O-N 3.14Å; E437-K439 VanDerWaalsContact C-N 3.29Å; E437-K439 PolarHBondContact O-N 3.07Å; K439-F442 PolarHBondContact O-N 3.44Å; K439-F443 HydrophobicContact CD-CE2 4.44Å; K439-F443 HydrophobicContact CG-CD2 4.26Å; K439-F443 HydrophobicContact CG-CE2 3.94Å; K439-F443 WeakPolarHBondContact O-CD2 3.43Å; K439-F443 PolarHBondContact O-N 2.74Å
440	E	75.1	Confident	65.8	Low	111 Å²	111	102.9 Å²	102.9	52%	0.519	56%	0.562	S	S	.	*	H	α-helix	trans	-69.1	-47.7	174.3	-71.3	164	-148.6	0	0	108.7	K436 E437 F442 F443 D444	K436-E440 PolarHBondContact O-N 3.15Å; E437-E440 PolarHBondContact O-N 3.47Å; E440-F442 VanDerWaalsContact C-N 3.29Å; E440-F442 PolarHBondContact O-N 3.41Å; E440-F443 CarbonylContact O-C 3.35Å; E440-F443 WeakPolarHBondContact O-CA 3.5Å; E440-F443 PolarHBondContact O-N 3.4Å; E440-D444 VanDerWaalsContact O-CG 3.29Å; E440-D444 PolarHBondContact O-N 3.25Å
441	H	72.6	Confident	68.1	Low	116 Å²	116	103.4 Å²	103.4	54%	0.537	55%	0.545	S	S	.	.	H	α-helix	trans	-56.4	-33.9	171.1	-170.4	-79.4	0	0	0	114.2	E437 D444 L445	E437-H441 WeakPolarHBondContact O-CB 3.33Å; E437-H441 PolarHBondContact O-N 3.36Å; H441-D444 PolarHBondContact O-N 3.25Å; H441-L445 WeakPolarHBondContact ND1-CD1 3.27Å; H441-L445 WeakPolarHBondContact O-CB 3.43Å; H441-L445 WeakPolarHBondContact O-CG 3.28Å; H441-L445 PolarHBondContact O-N 3.34Å
442	F	77	Confident	70.1	Confident	130 Å²	130	104.8 Å²	104.8	57%	0.57	53%	0.528	S	S	*	.	H	α-helix	trans	-67.3	-38.9	173.3	176.9	-93	0	0	0	112.4	S438 K439 E440 Y446	S438-F442 WeakPolarHBondContact O-CB 3.43Å; S438-F442 PolarHBondContact O-N 3.3Å; K439-F442 PolarHBondContact O-N 3.44Å; E440-F442 VanDerWaalsContact C-N 3.29Å; E440-F442 PolarHBondContact O-N 3.41Å; F442-Y446 WeakPolarHBondContact O-CB 3.25Å; F442-Y446 PolarHBondContact O-N 2.72Å; F442-Y446 VanDerWaalsContact O-N 3.1Å
443	F	81.8	Confident	72.8	Confident	113 Å²	113	105.7 Å²	105.7	50%	0.496	52%	0.522	S	S	.	.	H	α-helix	trans	-72.6	-32	173.8	-73.7	-59.9	0	0	0	112.5	K439 E440 Y446 R447	K439-F443 HydrophobicContact CD-CE2 4.44Å; K439-F443 HydrophobicContact CG-CD2 4.26Å; K439-F443 HydrophobicContact CG-CE2 3.94Å; K439-F443 WeakPolarHBondContact O-CD2 3.43Å; K439-F443 PolarHBondContact O-N 2.74Å; E440-F443 CarbonylContact O-C 3.35Å; E440-F443 WeakPolarHBondContact O-CA 3.5Å; E440-F443 PolarHBondContact O-N 3.4Å; F443-Y446 PolarHBondContact O-N 2.71Å; F443-R447 WeakPolarHBondContact O-CB 3.35Å; F443-R447 WeakPolarHBondContact O-CG 3.42Å; F443-R447 PolarHBondContact O-N 2.99Å
444	D	83.3	Confident	75.2	Confident	86 Å²	86	107.8 Å²	107.8	46%	0.46	52%	0.524	S	S	.	.	H	α-helix	trans	-70.1	-42	175.6	-61.1	-32.6	0	0	0	111	E440 H441 Y446 R447 N448	E440-D444 VanDerWaalsContact O-CG 3.29Å; E440-D444 PolarHBondContact O-N 3.25Å; H441-D444 PolarHBondContact O-N 3.25Å; D444-Y446 VanDerWaalsContact C-N 3.33Å; D444-Y446 PolarHBondContact O-N 2.9Å; D444-R447 WeakPolarHBondContact O-CB 3.42Å; D444-R447 PolarHBondContact O-N 3.05Å; D444-N448 WeakPolarHBondContact O-CB 3.49Å; D444-N448 VanDerWaalsContact O-CG 3.22Å; D444-N448 PolarHBondContact O-N 3.37Å; D444-N448 PolarHBondContact O-OD1 3.48Å; D444-N448 VanDerWaalsContact O-OD1 3.13Å
445	L	81.9	Confident	77.3	Confident	100 Å²	100	109.3 Å²	109.3	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-57.9	-43.9	169.3	-77.9	170.3	0	0	0	112.2	H441 R447 S449	H441-L445 WeakPolarHBondContact ND1-CD1 3.27Å; H441-L445 WeakPolarHBondContact O-CB 3.43Å; H441-L445 WeakPolarHBondContact O-CG 3.28Å; H441-L445 PolarHBondContact O-N 3.34Å; L445-R447 VanDerWaalsContact C-N 3.34Å; L445-S449 WeakPolarHBondContact O-CB 3.26Å; L445-S449 PolarHBondContact O-N 2.86Å
446	Y	81	Confident	79.4	Confident	148 Å²	148	108.7 Å²	108.7	58%	0.58	51%	0.514	S	S	*	.	H	α-helix	trans	-68.6	-33.1	178.5	-167.8	-103.7	0	0	0	112.4	F442 F443 D444 I450	F442-Y446 WeakPolarHBondContact O-CB 3.25Å; F442-Y446 PolarHBondContact O-N 2.72Å; F442-Y446 VanDerWaalsContact O-N 3.1Å; F443-Y446 PolarHBondContact O-N 2.71Å; D444-Y446 VanDerWaalsContact C-N 3.33Å; D444-Y446 PolarHBondContact O-N 2.9Å; Y446-I450 HydrophobicContact CD1-CD1 3.8Å; Y446-I450 HydrophobicContact CE1-CD1 3.5Å; Y446-I450 VanDerWaalsContact CE1-CD1 3.5Å; Y446-I450 HydrophobicContact CE1-CG1 4.48Å; Y446-I450 WeakPolarHBondContact O-CG1 2.97Å; Y446-I450 PolarHBondContact O-N 2.95Å; Y446-I450 VanDerWaalsContact O-N 3.13Å
447	R	85	Confident	81.3	Confident	137 Å²	137	106.2 Å²	106.2	52%	0.517	51%	0.511	S	S	.	.	H	α-helix	trans	-66.9	-52.5	171.7	-86.3	-80.7	-59.7	-61.8	-16.2	111.6	F443 D444 L445 S449 I450 E451	F443-R447 WeakPolarHBondContact O-CB 3.35Å; F443-R447 WeakPolarHBondContact O-CG 3.42Å; F443-R447 PolarHBondContact O-N 2.99Å; D444-R447 WeakPolarHBondContact O-CB 3.42Å; D444-R447 PolarHBondContact O-N 3.05Å; L445-R447 VanDerWaalsContact C-N 3.34Å; R447-S449 PolarHBondContact O-N 3.37Å; R447-I450 PolarHBondContact O-N 3.34Å; R447-E451 IonicContact CZ-OE1 3.92Å; R447-E451 IonicContact NE-OE1 3.68Å; R447-E451 PolarHBondContact NE-OE1 3.26Å; R447-E451 IonicContact NH2-OE1 2.85Å; R447-E451 PolarHBondContact NH2-OE1 2.89Å; R447-E451 WeakPolarHBondContact O-CB 3.5Å; R447-E451 WeakPolarHBondContact O-CG 3.4Å; R447-E451 PolarHBondContact O-N 3Å
448	N	82.3	Confident	83.1	Confident	100 Å²	100	106.2 Å²	106.2	54%	0.535	52%	0.515	S	S	.	.	H	α-helix	trans	-58.4	-37	177.3	-66.2	9.4	0	0	0	111.5	D444 E451 F452	D444-N448 WeakPolarHBondContact O-CB 3.49Å; D444-N448 VanDerWaalsContact O-CG 3.22Å; D444-N448 PolarHBondContact O-N 3.37Å; D444-N448 PolarHBondContact O-OD1 3.48Å; D444-N448 VanDerWaalsContact O-OD1 3.13Å; N448-E451 PolarHBondContact O-N 2.75Å; N448-F452 VanDerWaalsContact O-CB 3.27Å; N448-F452 WeakPolarHBondContact O-CB 3.46Å; N448-F452 PolarHBondContact O-N 3.23Å
449	S	85.6	Confident	84.7	Confident	53 Å²	53	106 Å²	106	37%	0.371	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-37.9	174.4	-178.6	0	0	0	0	113	L445 R447 F453	L445-S449 WeakPolarHBondContact O-CB 3.26Å; L445-S449 PolarHBondContact O-N 2.86Å; R447-S449 PolarHBondContact O-N 3.37Å; S449-F453 WeakPolarHBondContact O-CD2 3.3Å; S449-F453 PolarHBondContact O-N 3.47Å; S449-F453 VanDerWaalsContact O-N 3.16Å
450	I	88.9	Confident	85.8	Confident	67 Å²	67	102 Å²	102	34%	0.344	50%	0.495	S	S	.	.	H	α-helix	trans	-69.4	-45.9	174.3	-71.9	166.9	0	0	0	110.2	Y446 R447 F452 F453 E454	Y446-I450 HydrophobicContact CD1-CD1 3.8Å; Y446-I450 HydrophobicContact CE1-CD1 3.5Å; Y446-I450 VanDerWaalsContact CE1-CD1 3.5Å; Y446-I450 HydrophobicContact CE1-CG1 4.48Å; Y446-I450 WeakPolarHBondContact O-CG1 2.97Å; Y446-I450 PolarHBondContact O-N 2.95Å; Y446-I450 VanDerWaalsContact O-N 3.13Å; R447-I450 PolarHBondContact O-N 3.34Å; I450-F452 VanDerWaalsContact C-N 3.26Å; I450-F452 PolarHBondContact O-N 2.79Å; I450-F453 CarbonylContact O-C 3.6Å; I450-F453 PolarHBondContact O-N 3.29Å; I450-E454 HydrophobicContact CG2-CG 4.41Å; I450-E454 PolarHBondContact O-N 3.1Å
451	E	85.8	Confident	86.6	Confident	82 Å²	82	99.4 Å²	99.4	38%	0.383	49%	0.489	S	S	.	.	H	α-helix	trans	-60.4	-36.4	179.3	-70.1	168.1	-157.2	0	0	110.9	R447 N448 E454 E455	R447-E451 IonicContact CZ-OE1 3.92Å; R447-E451 IonicContact NE-OE1 3.68Å; R447-E451 PolarHBondContact NE-OE1 3.26Å; R447-E451 IonicContact NH2-OE1 2.85Å; R447-E451 PolarHBondContact NH2-OE1 2.89Å; R447-E451 WeakPolarHBondContact O-CB 3.5Å; R447-E451 WeakPolarHBondContact O-CG 3.4Å; R447-E451 PolarHBondContact O-N 3Å; N448-E451 PolarHBondContact O-N 2.75Å; E451-E454 PolarHBondContact O-N 3.06Å; E451-E455 WeakPolarHBondContact O-CB 3.46Å; E451-E455 PolarHBondContact O-N 3.25Å
452	F	89.9	Confident	87.5	Confident	114 Å²	114	98.8 Å²	98.8	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-67.4	-38.5	171.1	177.4	-108.9	0	0	0	113.9	N448 I450 E455 I456	N448-F452 VanDerWaalsContact O-CB 3.27Å; N448-F452 WeakPolarHBondContact O-CB 3.46Å; N448-F452 PolarHBondContact O-N 3.23Å; I450-F452 VanDerWaalsContact C-N 3.26Å; I450-F452 PolarHBondContact O-N 2.79Å; F452-E455 PolarHBondContact O-N 3.08Å; F452-I456 HydrophobicContact CD1-CD1 3.93Å; F452-I456 HydrophobicContact CD2-CD1 4.46Å; F452-I456 HydrophobicContact CE1-CD1 3.49Å; F452-I456 VanDerWaalsContact CE1-CD1 3.49Å; F452-I456 HydrophobicContact CE2-CD1 4.07Å; F452-I456 HydrophobicContact CG-CD1 4.41Å; F452-I456 HydrophobicContact CZ-CD1 3.59Å; F452-I456 WeakPolarHBondContact O-CG1 3.1Å; F452-I456 PolarHBondContact O-N 2.84Å
453	F	90.6	Very high	88.3	Confident	131 Å²	131	97.3 Å²	97.3	58%	0.575	48%	0.483	S	S	*	.	H	α-helix	trans	-72.2	-31.8	174.3	-76.2	-57.3	0	0	0	112.6	S449 I450 S457	S449-F453 WeakPolarHBondContact O-CD2 3.3Å; S449-F453 PolarHBondContact O-N 3.47Å; S449-F453 VanDerWaalsContact O-N 3.16Å; I450-F453 CarbonylContact O-C 3.6Å; I450-F453 PolarHBondContact O-N 3.29Å; F453-S457 VanDerWaalsContact O-CB 3.28Å; F453-S457 WeakPolarHBondContact O-CB 3.15Å; F453-S457 PolarHBondContact O-N 2.73Å
454	E	90.5	Very high	88.8	Confident	118 Å²	118	96.1 Å²	96.1	55%	0.551	48%	0.484	S	S	*	.	H	α-helix	trans	-67.7	-42.6	169.8	-71.4	-177.3	146.6	0	0	110.6	I450 E451 I456 S457 D458	I450-E454 HydrophobicContact CG2-CG 4.41Å; I450-E454 PolarHBondContact O-N 3.1Å; E451-E454 PolarHBondContact O-N 3.06Å; E454-I456 PolarHBondContact O-N 2.94Å; E454-S457 CarbonylContact O-C 3.59Å; E454-S457 WeakPolarHBondContact O-CB 3.2Å; E454-S457 PolarHBondContact O-N 3.25Å; E454-S457 VanDerWaalsContact O-N 3.12Å; E454-D458 WeakPolarHBondContact O-CB 3.38Å; E454-D458 PolarHBondContact O-N 3Å
455	E	91.7	Very high	89.2	Confident	136 Å²	136	97.3 Å²	97.3	64%	0.636	49%	0.491	S	S	*	.	H	α-helix	trans	-60.7	-44.4	174.7	-176	171.9	-153.1	0	0	112.8	E451 F452 S457 D458 E459	E451-E455 WeakPolarHBondContact O-CB 3.46Å; E451-E455 PolarHBondContact O-N 3.25Å; F452-E455 PolarHBondContact O-N 3.08Å; E455-S457 VanDerWaalsContact C-N 3.33Å; E455-S457 PolarHBondContact O-N 3.16Å; E455-D458 PolarHBondContact O-N 3.26Å; E455-E459 PolarHBondContact O-N 2.84Å
456	I	91.3	Very high	89.5	Confident	85 Å²	85	100.1 Å²	100.1	44%	0.436	49%	0.494	S	S	.	.	H	α-helix	trans	-62.6	-40.7	172.5	-70.6	168.7	0	0	0	111.2	F452 E454 A460	F452-I456 HydrophobicContact CD1-CD1 3.93Å; F452-I456 HydrophobicContact CD2-CD1 4.46Å; F452-I456 HydrophobicContact CE1-CD1 3.49Å; F452-I456 VanDerWaalsContact CE1-CD1 3.49Å; F452-I456 HydrophobicContact CE2-CD1 4.07Å; F452-I456 HydrophobicContact CG-CD1 4.41Å; F452-I456 HydrophobicContact CZ-CD1 3.59Å; F452-I456 WeakPolarHBondContact O-CG1 3.1Å; F452-I456 PolarHBondContact O-N 2.84Å; E454-I456 PolarHBondContact O-N 2.94Å; I456-A460 WeakPolarHBondContact O-CB 3.11Å; I456-A460 PolarHBondContact O-N 3.17Å
457	S	91.5	Very high	89.7	Confident	64 Å²	64	98.4 Å²	98.4	45%	0.448	50%	0.495	S	S	.	.	H	α-helix	trans	-65.2	-38.8	178.2	-176.3	0	0	0	0	112	F453 E454 E455 S461	F453-S457 VanDerWaalsContact O-CB 3.28Å; F453-S457 WeakPolarHBondContact O-CB 3.15Å; F453-S457 PolarHBondContact O-N 2.73Å; E454-S457 CarbonylContact O-C 3.59Å; E454-S457 WeakPolarHBondContact O-CB 3.2Å; E454-S457 PolarHBondContact O-N 3.25Å; E454-S457 VanDerWaalsContact O-N 3.12Å; E455-S457 VanDerWaalsContact C-N 3.33Å; E455-S457 PolarHBondContact O-N 3.16Å; S457-S461 VanDerWaalsContact O-CB 3.26Å; S457-S461 WeakPolarHBondContact O-CB 3.33Å; S457-S461 PolarHBondContact O-N 3.49Å; S457-S461 PolarHBondContact O-OG 2.89Å
458	D	93.3	Very high	89.7	Confident	115 Å²	115	94.4 Å²	94.4	62%	0.615	49%	0.485	S	S	*	.	H	α-helix	trans	-73	-42.7	178.5	-79.4	-7.4	0	0	0	111.5	E454 E455 S461 K462	E454-D458 WeakPolarHBondContact O-CB 3.38Å; E454-D458 PolarHBondContact O-N 3Å; E455-D458 PolarHBondContact O-N 3.26Å; D458-S461 PolarHBondContact O-N 3.08Å; D458-K462 WeakPolarHBondContact O-CB 3.18Å; D458-K462 PolarHBondContact O-N 3.49Å
459	E	91.9	Very high	89.6	Confident	88 Å²	88	94.6 Å²	94.6	41%	0.411	48%	0.483	S	S	.	.	H	α-helix	trans	-66.5	-37.2	175	-167.2	62.9	-141.9	0	0	111.6	E455 K462 L463	E455-E459 PolarHBondContact O-N 2.84Å; E459-K462 IonicContact OE1-NZ 3.87Å; E459-K462 PolarHBondContact OE1-NZ 3.23Å; E459-K462 IonicContact OE2-NZ 2.74Å; E459-K462 PolarHBondContact OE2-NZ 2.86Å; E459-L463 WeakPolarHBondContact O-CB 3.45Å; E459-L463 PolarHBondContact O-N 3.05Å
460	A	90.8	Very high	89.1	Confident	48 Å²	48	94.7 Å²	94.7	40%	0.397	48%	0.484	S	S	.	.	H	α-helix	trans	-66.2	-41.8	172.2	0	0	0	0	0	112.2	I456 L463 V464	I456-A460 WeakPolarHBondContact O-CB 3.11Å; I456-A460 PolarHBondContact O-N 3.17Å; A460-L463 WeakPolarHBondContact O-CA 3.49Å; A460-L463 WeakPolarHBondContact O-CB 3.41Å; A460-L463 PolarHBondContact O-N 3.14Å; A460-L463 VanDerWaalsContact O-N 3.14Å; A460-V464 WeakPolarHBondContact O-CG2 3.37Å; A460-V464 PolarHBondContact O-N 2.73Å
461	S	91.8	Very high	88.3	Confident	56 Å²	56	97.3 Å²	97.3	39%	0.392	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176	-61.4	0	0	0	0	111.2	S457 D458 L463 V464 D465	S457-S461 VanDerWaalsContact O-CB 3.26Å; S457-S461 WeakPolarHBondContact O-CB 3.33Å; S457-S461 PolarHBondContact O-N 3.49Å; S457-S461 PolarHBondContact O-OG 2.89Å; D458-S461 PolarHBondContact O-N 3.08Å; S461-L463 VanDerWaalsContact C-N 3.28Å; S461-L463 PolarHBondContact O-N 3.49Å; S461-V464 CarbonylContact O-C 3.57Å; S461-V464 WeakPolarHBondContact O-CB 3.35Å; S461-V464 PolarHBondContact O-N 3.31Å; S461-V464 VanDerWaalsContact O-N 3.12Å; S461-D465 PolarHBondContact O-N 2.6Å
462	K	92.3	Very high	87.6	Confident	104 Å²	104	99.9 Å²	99.9	45%	0.452	50%	0.501	S	S	.	.	H	α-helix	trans	-62.8	-30.7	172.1	175.4	-177.3	168.9	-135.1	0	112.7	D458 E459 R466	D458-K462 WeakPolarHBondContact O-CB 3.18Å; D458-K462 PolarHBondContact O-N 3.49Å; E459-K462 IonicContact OE1-NZ 3.87Å; E459-K462 PolarHBondContact OE1-NZ 3.23Å; E459-K462 IonicContact OE2-NZ 2.74Å; E459-K462 PolarHBondContact OE2-NZ 2.86Å; K462-R466 VanDerWaalsContact O-CB 3.29Å; K462-R466 WeakPolarHBondContact O-CB 3.42Å; K462-R466 WeakPolarHBondContact O-CG 3.38Å; K462-R466 PolarHBondContact O-N 2.95Å
463	L	92.3	Very high	86.2	Confident	99 Å²	99	99.5 Å²	99.5	52%	0.518	50%	0.501	S	S	.	.	H	α-helix	trans	-71.2	-39.3	170.9	-119.6	154.7	0	0	0	112	E459 A460 S461 L467	E459-L463 WeakPolarHBondContact O-CB 3.45Å; E459-L463 PolarHBondContact O-N 3.05Å; A460-L463 WeakPolarHBondContact O-CA 3.49Å; A460-L463 WeakPolarHBondContact O-CB 3.41Å; A460-L463 PolarHBondContact O-N 3.14Å; A460-L463 VanDerWaalsContact O-N 3.14Å; S461-L463 VanDerWaalsContact C-N 3.28Å; S461-L463 PolarHBondContact O-N 3.49Å; L463-L467 WeakPolarHBondContact O-CB 3.2Å; L463-L467 PolarHBondContact O-N 3.37Å
464	V	93.4	Very high	84.5	Confident	87 Å²	87	100.8 Å²	100.8	53%	0.527	51%	0.509	S	S	.	.	H	α-helix	trans	-67	-46.6	172.7	172.2	0	0	0	0	111.3	A460 S461 R466 L467 T468	A460-V464 WeakPolarHBondContact O-CG2 3.37Å; A460-V464 PolarHBondContact O-N 2.73Å; S461-V464 CarbonylContact O-C 3.57Å; S461-V464 WeakPolarHBondContact O-CB 3.35Å; S461-V464 PolarHBondContact O-N 3.31Å; S461-V464 VanDerWaalsContact O-N 3.12Å; V464-R466 VanDerWaalsContact C-N 3.32Å; V464-R466 PolarHBondContact O-N 3.2Å; V464-L467 CarbonylContact O-C 3.58Å; V464-L467 WeakPolarHBondContact O-CA 3.34Å; V464-L467 WeakPolarHBondContact O-CB 3.3Å; V464-L467 PolarHBondContact O-N 3.33Å; V464-T468 PolarHBondContact O-N 3.46Å; V464-T468 PolarHBondContact O-OG1 3.29Å
465	D	90.5	Very high	82.5	Confident	112 Å²	112	101.5 Å²	101.5	60%	0.599	51%	0.512	S	S	*	.	H	α-helix	trans	-60.4	-41.7	176.1	-81.6	-29.2	0	0	0	111.2	S461 Q469	S461-D465 PolarHBondContact O-N 2.6Å; D465-Q469 WeakPolarHBondContact O-CB 3.27Å; D465-Q469 PolarHBondContact O-N 2.96Å
466	R	88.9	Confident	80.4	Confident	158 Å²	158	100.8 Å²	100.8	60%	0.596	51%	0.511	S	S	*	.	H	α-helix	trans	-63.3	-38.2	171.5	-79.7	175.8	62.5	-135.6	-5.8	112.7	K462 V464 S470	K462-R466 VanDerWaalsContact O-CB 3.29Å; K462-R466 WeakPolarHBondContact O-CB 3.42Å; K462-R466 WeakPolarHBondContact O-CG 3.38Å; K462-R466 PolarHBondContact O-N 2.95Å; V464-R466 VanDerWaalsContact C-N 3.32Å; V464-R466 PolarHBondContact O-N 3.2Å; R466-S470 WeakPolarHBondContact O-CB 3.26Å; R466-S470 PolarHBondContact O-N 2.94Å; R466-S470 PolarHBondContact O-OG 3.11Å
467	L	86.3	Confident	78.3	Confident	113 Å²	113	103 Å²	103	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-67.1	-50.9	177.6	-174.7	63.7	0	0	0	110.7	L463 V464 Q469 S470 E471	L463-L467 WeakPolarHBondContact O-CB 3.2Å; L463-L467 PolarHBondContact O-N 3.37Å; V464-L467 CarbonylContact O-C 3.58Å; V464-L467 WeakPolarHBondContact O-CA 3.34Å; V464-L467 WeakPolarHBondContact O-CB 3.3Å; V464-L467 PolarHBondContact O-N 3.33Å; L467-Q469 VanDerWaalsContact C-N 3.28Å; L467-Q469 PolarHBondContact O-N 3.18Å; L467-S470 CarbonylContact O-C 3.6Å; L467-S470 PolarHBondContact O-N 2.67Å; L467-S470 VanDerWaalsContact O-N 3.09Å; L467-S470 PolarHBondContact O-OG 3.23Å; L467-E471 WeakPolarHBondContact O-CB 3.48Å; L467-E471 PolarHBondContact O-N 3.34Å
468	T	83.4	Confident	76.1	Confident	52 Å²	52	104.4 Å²	104.4	32%	0.319	54%	0.538	S	S	.	.	H	α-helix	trans	-65	-29	175.7	-64.9	0	0	0	0	112.7	V464 R472	V464-T468 PolarHBondContact O-N 3.46Å; V464-T468 PolarHBondContact O-OG1 3.29Å; T468-R472 WeakPolarHBondContact O-CB 3.35Å; T468-R472 PolarHBondContact O-N 3.35Å
469	Q	80.5	Confident	73.6	Confident	104 Å²	104	106.1 Å²	106.1	49%	0.486	55%	0.548	S	S	.	.	H	α-helix	trans	-69.3	-45.1	168.7	-179.9	168.2	-12.6	0	0	111.1	D465 L467 E471 R472 E473	D465-Q469 WeakPolarHBondContact O-CB 3.27Å; D465-Q469 PolarHBondContact O-N 2.96Å; L467-Q469 VanDerWaalsContact C-N 3.28Å; L467-Q469 PolarHBondContact O-N 3.18Å; Q469-E471 VanDerWaalsContact C-N 3.34Å; Q469-E471 PolarHBondContact O-N 2.94Å; Q469-R472 PolarHBondContact O-N 3.35Å; Q469-E473 HydrophobicContact CG-CG 4.32Å; Q469-E473 VanDerWaalsContact CG-OE1 3.28Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.27Å; Q469-E473 PolarHBondContact NE2-OE1 2.69Å; Q469-E473 WeakPolarHBondContact O-CB 3.46Å; Q469-E473 VanDerWaalsContact O-CG 3.31Å; Q469-E473 WeakPolarHBondContact O-CG 3.4Å; Q469-E473 PolarHBondContact O-N 3.13Å
470	S	75.4	Confident	70.9	Confident	56 Å²	56	107.5 Å²	107.5	39%	0.392	56%	0.558	S	S	.	*	H	α-helix	trans	-66.8	-33.1	177	69.8	0	0	0	0	113.3	R466 L467 E473 Q474	R466-S470 WeakPolarHBondContact O-CB 3.26Å; R466-S470 PolarHBondContact O-N 2.94Å; R466-S470 PolarHBondContact O-OG 3.11Å; L467-S470 CarbonylContact O-C 3.6Å; L467-S470 PolarHBondContact O-N 2.67Å; L467-S470 VanDerWaalsContact O-N 3.09Å; L467-S470 PolarHBondContact O-OG 3.23Å; S470-E473 PolarHBondContact O-N 2.95Å; S470-Q474 VanDerWaalsContact O-CB 3.28Å; S470-Q474 WeakPolarHBondContact O-CB 3.41Å; S470-Q474 PolarHBondContact O-N 3.49Å
471	E	71.8	Confident	68.7	Low	122 Å²	122	114.9 Å²	114.9	57%	0.57	58%	0.584	S	S	*	*	H	α-helix	trans	-63.6	-47.5	171.8	-179	177.1	-147.6	0	0	110.2	L467 Q469 Q474 E475	L467-E471 WeakPolarHBondContact O-CB 3.48Å; L467-E471 PolarHBondContact O-N 3.34Å; Q469-E471 VanDerWaalsContact C-N 3.34Å; Q469-E471 PolarHBondContact O-N 2.94Å; E471-Q474 PolarHBondContact O-N 3.07Å; E471-E475 WeakPolarHBondContact O-CB 3.31Å; E471-E475 PolarHBondContact O-N 3.02Å
472	R	72.1	Confident	66.5	Low	135 Å²	135	116.4 Å²	116.4	51%	0.509	59%	0.594	S	S	.	*	H	α-helix	trans	-66.2	-37.6	174.8	-170.1	-178.3	-63.6	123.7	7.5	112.7	T468 Q469 Q474 E475 I476	T468-R472 WeakPolarHBondContact O-CB 3.35Å; T468-R472 PolarHBondContact O-N 3.35Å; Q469-R472 PolarHBondContact O-N 3.35Å; R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 3.27Å; R472-E475 WeakPolarHBondContact O-CB 3.32Å; R472-E475 PolarHBondContact O-N 3.16Å; R472-I476 HydrophobicContact CG-CD1 3.9Å; R472-I476 HydrophobicContact CG-CG1 4.36Å; R472-I476 WeakPolarHBondContact O-CB 3.37Å; R472-I476 WeakPolarHBondContact O-CD1 3.13Å; R472-I476 WeakPolarHBondContact O-CG1 3.48Å; R472-I476 PolarHBondContact O-N 2.94Å
473	E	60.3	Low	63.9	Low	106 Å²	106	116.9 Å²	116.9	50%	0.495	61%	0.611	S	S	.	*	H	α-helix	trans	-68.8	-29.6	176.2	-75.4	169.9	-178	0	0	111.7	Q469 S470	Q469-E473 HydrophobicContact CG-CG 4.32Å; Q469-E473 VanDerWaalsContact CG-OE1 3.28Å; Q469-E473 WeakPolarHBondContact CG-OE1 3.27Å; Q469-E473 PolarHBondContact NE2-OE1 2.69Å; Q469-E473 WeakPolarHBondContact O-CB 3.46Å; Q469-E473 VanDerWaalsContact O-CG 3.31Å; Q469-E473 WeakPolarHBondContact O-CG 3.4Å; Q469-E473 PolarHBondContact O-N 3.13Å; S470-E473 PolarHBondContact O-N 2.95Å
474	Q	54.3	Low	61.1	Low	158 Å²	158	117.8 Å²	117.8	74%	0.738	63%	0.625	S	S	*	*	H	α-helix	trans	-75.1	-32.4	169.7	-168.6	160.2	93.2	0	0	112.3	S470 E471 R472	S470-Q474 VanDerWaalsContact O-CB 3.28Å; S470-Q474 WeakPolarHBondContact O-CB 3.41Å; S470-Q474 PolarHBondContact O-N 3.49Å; E471-Q474 PolarHBondContact O-N 3.07Å; R472-Q474 VanDerWaalsContact C-N 3.29Å; R472-Q474 PolarHBondContact O-N 3.27Å
475	E	48.3	Very low	58.2	Low	134 Å²	134	117.7 Å²	117.7	63%	0.626	63%	0.634	S	S	*	*	H	α-helix	trans	-68.7	-42.6	173.5	-168.9	178	-150.5	0	0	112.3	E471 R472 V477 S478	E471-E475 WeakPolarHBondContact O-CB 3.31Å; E471-E475 PolarHBondContact O-N 3.02Å; R472-E475 WeakPolarHBondContact O-CB 3.32Å; R472-E475 PolarHBondContact O-N 3.16Å; E475-V477 PolarHBondContact O-N 3.14Å; E475-V477 VanDerWaalsContact O-N 3.14Å; E475-S478 PolarHBondContact O-N 2.85Å; E475-S478 PolarHBondContact O-OG 3.32Å; E475-S478 VanDerWaalsContact O-OG 3.09Å
476	I	47.6	Very low	55.3	Low	121 Å²	121	121 Å²	121	62%	0.621	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-62.4	-20.2	-178	-72.3	161.5	0	0	0	113.4	R472 S478	R472-I476 HydrophobicContact CG-CD1 3.9Å; R472-I476 HydrophobicContact CG-CG1 4.36Å; R472-I476 WeakPolarHBondContact O-CB 3.37Å; R472-I476 WeakPolarHBondContact O-CD1 3.13Å; R472-I476 WeakPolarHBondContact O-CG1 3.48Å; R472-I476 PolarHBondContact O-N 2.94Å; I476-S478 PolarHBondContact O-N 3.15Å
477	V	46.9	Very low	52.8	Low	130 Å²	130	122.6 Å²	122.6	79%	0.788	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-77.6	-4.2	176.8	177.4	0	0	0	0	112.4	E475	E475-V477 PolarHBondContact O-N 3.14Å; E475-V477 VanDerWaalsContact O-N 3.14Å
478	S	44.9	Very low	50.3	Low	94 Å²	94	123.1 Å²	123.1	66%	0.657	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-133.9	35.5	-171.5	60.7	0	0	0	0	116.6	E475 I476	E475-S478 PolarHBondContact O-N 2.85Å; E475-S478 PolarHBondContact O-OG 3.32Å; E475-S478 VanDerWaalsContact O-OG 3.09Å; I476-S478 PolarHBondContact O-N 3.15Å
479	D	41.4	Very low	48	Very low	152 Å²	152	125.6 Å²	125.6	81%	0.813	69%	0.692	S	S	*	*	S	Bend	trans	-145	156.6	157.3	-151.7	-1.4	0	0	0	113.6
480	D	36.6	Very low	45.8	Very low	116 Å²	116	126.4 Å²	126.4	62%	0.62	70%	0.704	S	S	*	*			trans	59.2	83.5	177.1	-158	21.4	0	0	0	119.4	S482	D480-S482 WeakPolarHBondContact OD1-CA 3.38Å; D480-S482 WeakPolarHBondContact OD1-CB 3.5Å; D480-S482 PolarHBondContact OD1-N 2.96Å; D480-S482 PolarHBondContact OD1-OG 3.2Å
481	E	44.2	Very low	44	Very low	204 Å²	204	130.9 Å²	130.9	95%	0.953	72%	0.722	S	S	*	*	S	Bend		-115.2	98.4	116.4	-160.5	-177.2	162.8	0	0	109.8
482	S	45	Very low	42.4	Very low	87 Å²	87	131.9 Å²	131.9	61%	0.608	73%	0.727	S	S	*	*			trans	-59.6	135	-169.3	-81.7	0	0	0	0	116.5	D480	D480-S482 WeakPolarHBondContact OD1-CA 3.38Å; D480-S482 WeakPolarHBondContact OD1-CB 3.5Å; D480-S482 PolarHBondContact OD1-N 2.96Å; D480-S482 PolarHBondContact OD1-OG 3.2Å
483	S	38	Very low	40.6	Very low	115 Å²	115	131.1 Å²	131.1	80%	0.804	73%	0.733	S	S	*	*			trans	12.4	119	133.7	-63.2	0	0	0	0	118.3
484	S	32.7	Very low	39.6	Very low	117 Å²	117	134 Å²	134	82%	0.818	75%	0.751	S	S	*	*				165.4	151.3	112.3	-170	0	0	0	0	114.9
485	A	32.4	Very low	39.1	Very low	86 Å²	86	131.8 Å²	131.8	71%	0.711	75%	0.75	S	S	*	*			trans	57.4	99.3	152.6	0	0	0	0	0	120.7
486	L	29.8	Very low	38.9	Very low	182 Å²	182	130.7 Å²	130.7	95%	0.953	75%	0.754	S	S	*	*			trans	-94.3	107.2	140.9	-74.9	175.9	0	0	0	109.9
487	E	36.7	Very low	38.1	Very low	190 Å²	190	130.3 Å²	130.3	89%	0.888	76%	0.757	S	S	*	*			trans	-86.5	170.6	157.9	-145.1	-170.2	-171.9	0	0	110.3
488	V	33.6	Very low	37.3	Very low	124 Å²	124	132.5 Å²	132.5	75%	0.752	76%	0.759	S	S	*	*			trans	-98.2	128.1	-158.1	166.8	0	0	0	0	113.9
489	S	35.1	Very low	36.7	Very low	104 Å²	104	134.2 Å²	134.2	73%	0.727	77%	0.765	S	S	*	*			trans	74.7	146.8	163.6	-56.5	0	0	0	0	118.8
490	V	34.5	Very low	36.1	Very low	122 Å²	122	134.8 Å²	134.8	74%	0.739	76%	0.763	S	S	*	*				162.2	89.8	112.3	165	0	0	0	0	111
491	I	37.4	Very low	35.8	Very low	149 Å²	149	138.7 Å²	138.7	76%	0.764	78%	0.778	S	S	*	*			trans	54	168.9	153.8	16.2	-180	0	0	0	118.1
492	E	37.8	Very low	35.1	Very low	144 Å²	144	133 Å²	133	67%	0.673	76%	0.76	S	S	*	*			cis	-153.8	162.4	3.2	-146.7	173.3	100.8	0	0	111.3
493	N	35.2	Very low	34.8	Very low	119 Å²	119	134.7 Å²	134.7	64%	0.636	77%	0.767	S	S	*	*			trans	69.2	78.8	157.2	-60.6	-45.6	0	0	0	122.7
494	L	39.2	Very low	34.8	Very low	167 Å²	167	134.6 Å²	134.6	87%	0.874	76%	0.763	S	S	*	*				64.9	158.9	115.4	-69.7	175.6	0	0	0	122.3
495	P	43.8	Very low	35.6	Very low	110 Å²	110	136.6 Å²	136.6	71%	0.714	76%	0.76	S	S	*	*			trans	-118.1	-159.2	-143.6	49.4	-39	0	0	0	112.2
496	P	43.7	Very low	35.9	Very low	112 Å²	112	140.1 Å²	140.1	73%	0.727	77%	0.766	S	S	*	*			cis	-124.7	-175.1	0.2	33.3	-8.3	0	0	0	113
497	V	30.3	Very low	36.9	Very low	112 Å²	112	137.2 Å²	137.2	68%	0.679	75%	0.75	S	S	*	*			cis	-150.4	138.6	43	167.4	0	0	0	0	113.3
498	E	30.1	Very low	37.2	Very low	177 Å²	177	137.2 Å²	137.2	83%	0.827	75%	0.748	S	S	*	*			trans	18.6	102.2	153.3	-66.3	135.4	-153.2	0	0	120
499	T	33.7	Very low	37.5	Very low	129 Å²	129	137.6 Å²	137.6	79%	0.791	75%	0.746	S	S	*	*				-65.8	150.3	129.7	51.3	0	0	0	0	110.2
500	E	27.8	Very low	38.1	Very low	164 Å²	164	139.2 Å²	139.2	77%	0.766	75%	0.752	S	S	*	*				-161.3	110.5	128.6	-83.4	-136.9	-167.1	0	0	110.5	S502	E500-S502 WeakPolarHBondContact OE2-CB 3.36Å; E500-S502 PolarHBondContact OE2-OG 3.47Å
501	H	30	Very low	38.8	Very low	199 Å²	199	142.5 Å²	142.5	92%	0.921	75%	0.751	S	S	*	*			trans	-94.7	113.1	149.3	-82.2	-83.6	0	0	0	106.8
502	S	29.4	Very low	39.1	Very low	84 Å²	84	140.4 Å²	140.4	59%	0.587	75%	0.747	S	S	*	*			trans	-138.7	91	176.3	-70.9	0	0	0	0	108.9	E500 P504	E500-S502 WeakPolarHBondContact OE2-CB 3.36Å; E500-S502 PolarHBondContact OE2-OG 3.47Å; S502-P504 WeakPolarHBondContact O-CD 3.28Å
503	V	39.1	Very low	39.3	Very low	123 Å²	123	139.7 Å²	139.7	75%	0.745	75%	0.746	S	S	*	*			trans	-72	137.7	164.9	174.6	0	0	0	0	108.3
504	P	38.7	Very low	40.1	Very low	112 Å²	112	145.3 Å²	145.3	73%	0.727	76%	0.758	S	S	*	*			trans	-122.7	132.5	133.7	2.9	17.7	0	0	0	110	S502 D506	S502-P504 WeakPolarHBondContact O-CD 3.28Å; P504-D506 PolarHBondContact O-N 3.48Å
505	E	50.1	Low	40.6	Very low	160 Å²	160	144.4 Å²	144.4	75%	0.748	76%	0.755	S	S	*	*			trans	-57.8	130.9	166.9	-69.3	85.6	160.1	0	0	110.6
506	D	37.2	Very low	40.7	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	76%	0.757	S	S	*	*			trans	-127.4	125.2	147.5	-152	-4	0	0	0	108.2	P504	P504-D506 PolarHBondContact O-N 3.48Å
507	I	51.5	Low	40.8	Very low	121 Å²	121	145.2 Å²	145.2	62%	0.621	75%	0.748	S	S	*	*			trans	-100.6	138.8	-178.3	-59.8	173.5	0	0	0	106.3
508	F	42.6	Very low	41.7	Very low	190 Å²	190	147.1 Å²	147.1	83%	0.833	75%	0.752	S	S	*	*			trans	78.3	87.7	-175.8	-44.8	-73.2	0	0	0	116.6
509	D	41.2	Very low	42.6	Very low	132 Å²	132	146.1 Å²	146.1	71%	0.706	75%	0.748	S	S	*	*			trans	-136.5	91.6	135.8	-148.5	-14.3	0	0	0	110.7	R511	D509-R511 VanDerWaalsContact C-N 3.34Å; D509-R511 PolarHBondContact O-N 3.16Å; D509-R511 IonicContact OD1-NE 2.74Å
510	T	47.8	Very low	43.5	Very low	139 Å²	139	143.6 Å²	143.6	85%	0.853	73%	0.732	S	S	*	*			trans	-77.8	80.1	-179.5	33.8	0	0	0	0	111.2
511	R	48.6	Very low	44.1	Very low	191 Å²	191	141.3 Å²	141.3	72%	0.721	73%	0.725	S	S	*	*			trans	-133.7	119.1	172.6	-66.5	-175.6	-178.8	-163.2	-1.5	111.5	D509 I513	D509-R511 VanDerWaalsContact C-N 3.34Å; D509-R511 PolarHBondContact O-N 3.16Å; D509-R511 IonicContact OD1-NE 2.74Å; R511-I513 PolarHBondContact O-N 3.3Å
512	P	44.3	Very low	44.8	Very low	104 Å²	104	137.7 Å²	137.7	68%	0.675	71%	0.711	S	S	*	*			trans	-69.8	122.4	167.6	29.9	-32.4	0	0	0	109	W514	P512-W514 PolarHBondContact O-N 3.45Å
513	I	42	Very low	45.7	Very low	130 Å²	130	141.9 Å²	141.9	67%	0.667	72%	0.721	S	S	*	*			trans	-84.7	90.8	177.3	-57.4	177.4	0	0	0	107.8	R511 D515	R511-I513 PolarHBondContact O-N 3.3Å; I513-D515 HydrophobicContact CG2-CB 4.49Å; I513-D515 PolarHBondContact O-N 2.88Å
514	W	50.7	Low	46.1	Very low	236 Å²	236	144.6 Å²	144.6	89%	0.894	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	43.8	175.2	-74.1	76.8	0	0	0	112.2	P512	P512-W514 PolarHBondContact O-N 3.45Å
515	D	49.8	Very low	46.2	Very low	148 Å²	148	144.9 Å²	144.9	79%	0.791	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	35.9	-178.8	-156	18.5	0	0	0	112.1	I513	I513-D515 HydrophobicContact CG2-CB 4.49Å; I513-D515 PolarHBondContact O-N 2.88Å
516	E	47	Very low	46	Very low	163 Å²	163	142.2 Å²	142.2	76%	0.762	71%	0.709	S	S	*	*	S	Bend	trans	-94.1	134.8	155.5	-69.6	-162.2	164.4	0	0	108.8	I518	E516-I518 PolarHBondContact O-N 2.85Å
517	S	45.1	Very low	46.2	Very low	77 Å²	77	141.3 Å²	141.3	54%	0.538	70%	0.704	S	S	.	*			trans	-54.6	133.7	-164.1	-58.6	0	0	0	0	114.3	E519 T520	S517-E519 PolarHBondContact O-N 2.92Å; S517-T520 PolarHBondContact O-N 3.32Å; S517-T520 PolarHBondContact O-OG1 3.41Å
518	I	48.2	Very low	46	Very low	151 Å²	151	142.5 Å²	142.5	77%	0.774	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	39.9	174.9	-32.1	179.4	0	0	0	111.8	E516	E516-I518 PolarHBondContact O-N 2.85Å
519	E	48.9	Very low	46	Very low	157 Å²	157	140.9 Å²	140.9	73%	0.734	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.2	-36.2	-176.6	-164.9	167.6	-147.5	0	0	109.4	S517	S517-E519 PolarHBondContact O-N 2.92Å
520	T	52.8	Low	45.8	Very low	76 Å²	76	137.6 Å²	137.6	47%	0.466	70%	0.704	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.3	4.9	174.3	49.9	0	0	0	0	114.3	S517 R524	S517-T520 PolarHBondContact O-N 3.32Å; S517-T520 PolarHBondContact O-OG1 3.41Å; T520-R524 PolarHBondContact O-NH1 3.42Å; T520-R524 VanDerWaalsContact O-NH1 3.08Å
521	L	42	Very low	45.7	Very low	116 Å²	116	137.6 Å²	137.6	61%	0.607	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-25.9	172.5	-173.7	58.4	0	0	0	112.3	R524	L521-R524 PolarHBondContact O-N 3.09Å
522	I	43.4	Very low	45.2	Very low	122 Å²	122	136 Å²	136	63%	0.626	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-70.8	-38.5	176.5	-53.1	176.9	0	0	0	109.8	R524 I525	I522-R524 PolarHBondContact O-N 3.14Å; I522-I525 PolarHBondContact O-N 2.94Å
523	E	49.3	Very low	45.2	Very low	172 Å²	172	136.2 Å²	136.2	80%	0.804	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-74.2	21	174	-154.4	-178.6	-164.5	0	0	113.5
524	R	47.3	Very low	45.3	Very low	181 Å²	181	134.5 Å²	134.5	68%	0.683	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-143.8	24.4	175.4	-154.3	-172.7	-86.8	85.3	0.3	113.5	T520 L521 I522	T520-R524 PolarHBondContact O-NH1 3.42Å; T520-R524 VanDerWaalsContact O-NH1 3.08Å; L521-R524 PolarHBondContact O-N 3.09Å; I522-R524 PolarHBondContact O-N 3.14Å
525	I	40.9	Very low	45.5	Very low	117 Å²	117	127.1 Å²	127.1	60%	0.6	67%	0.672	S	S	*	*	S	Bend	trans	-72.3	127.2	148.1	-58.7	175.8	0	0	0	105.5	I522 D527	I522-I525 PolarHBondContact O-N 2.94Å; I525-D527 PolarHBondContact O-N 3.31Å
526	P	44.7	Very low	45.8	Very low	104 Å²	104	124.2 Å²	124.2	68%	0.675	66%	0.657	S	S	*	*			trans	-69	117.5	163.5	-9.1	25.6	0	0	0	107.3	E528	P526-E528 PolarHBondContact O-N 3.4Å
527	D	41.6	Very low	46.8	Very low	140 Å²	140	121 Å²	121	75%	0.749	65%	0.65	S	S	*	*			trans	-70.6	77.2	172.9	-70.7	-34.5	0	0	0	109.6	I525 N529	I525-D527 PolarHBondContact O-N 3.31Å; D527-N529 PolarHBondContact O-N 3.11Å; D527-N529 VanDerWaalsContact O-N 3.07Å
528	E	47	Very low	48	Very low	146 Å²	146	123.9 Å²	123.9	68%	0.682	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	7.3	178.5	-152.4	172.1	124.9	0	0	112.9	P526 G530 H531	P526-E528 PolarHBondContact O-N 3.4Å; E528-G530 PolarHBondContact O-N 2.85Å; E528-G530 VanDerWaalsContact O-N 3.08Å; E528-H531 PolarHBondContact O-ND1 2.84Å
529	N	43.2	Very low	49.4	Very low	156 Å²	156	121 Å²	121	83%	0.834	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	7.7	165.8	-66.2	87.7	0	0	0	113.5	D527 H531	D527-N529 PolarHBondContact O-N 3.11Å; D527-N529 VanDerWaalsContact O-N 3.07Å; N529-H531 VanDerWaalsContact C-N 3.27Å; N529-H531 PolarHBondContact O-N 3.17Å
530	G	37.8	Very low	50.8	Low	63 Å²	63	118.2 Å²	118.2	65%	0.649	63%	0.628	S	S	*	*			trans	-84.5	36.8	167.4	0	0	0	0	0	114.6	E528 D532	E528-G530 PolarHBondContact O-N 2.85Å; E528-G530 VanDerWaalsContact O-N 3.08Å; G530-D532 PolarHBondContact O-N 2.93Å
531	H	45.6	Very low	52.2	Low	139 Å²	139	118.5 Å²	118.5	64%	0.644	62%	0.624	S	S	*	*			trans	-70.1	69.4	164.5	-91.4	63.6	0	0	0	110	E528 N529 H533	E528-H531 PolarHBondContact O-ND1 2.84Å; N529-H531 VanDerWaalsContact C-N 3.27Å; N529-H531 PolarHBondContact O-N 3.17Å; H531-H533 VanDerWaalsContact C-N 3.26Å; H531-H533 PolarHBondContact O-N 3.37Å
532	D	37.5	Very low	54.2	Low	158 Å²	158	118.5 Å²	118.5	85%	0.845	62%	0.621	S	S	*	*			trans	-67.7	93.8	160.1	-151.3	1.9	0	0	0	105.3	G530 A534	G530-D532 PolarHBondContact O-N 2.93Å; D532-A534 PolarHBondContact O-N 3.35Å
533	H	44.2	Very low	56.3	Low	108 Å²	108	117.7 Å²	117.7	50%	0.5	61%	0.61	S	S	.	*			trans	-76.5	53.2	-160.5	-150.2	-88.5	0	0	0	112.4	H531 E535	H531-H533 VanDerWaalsContact C-N 3.26Å; H531-H533 PolarHBondContact O-N 3.37Å; H533-E535 VanDerWaalsContact CE1-CG 3.44Å; H533-E535 WeakPolarHBondContact CE1-CG 3.37Å; H533-E535 IonicContact CE1-OE1 2.8Å; H533-E535 PolarHBondContact CE1-OE1 3.14Å; H533-E535 WeakPolarHBondContact ND1-CG 3.38Å; H533-E535 IonicContact ND1-OE1 3.62Å; H533-E535 PolarHBondContact ND1-OE1 2.8Å; H533-E535 PolarHBondContact O-N 3.39Å
534	A	45.2	Very low	58.1	Low	94 Å²	94	112.1 Å²	112.1	78%	0.777	59%	0.586	S	S	*	*			trans	-66.7	83.8	156.2	0	0	0	0	0	107.4	D532 D536	D532-A534 PolarHBondContact O-N 3.35Å; A534-D536 PolarHBondContact O-N 3.4Å; A534-D536 VanDerWaalsContact O-N 3.11Å
535	E	53.8	Low	60.1	Low	81 Å²	81	107.4 Å²	107.4	38%	0.379	57%	0.571	S	S	.	*			trans	-51.6	119.4	165.8	-61.7	-172.8	-144.2	0	0	107	H533 P537 R543	H533-E535 VanDerWaalsContact CE1-CG 3.44Å; H533-E535 WeakPolarHBondContact CE1-CG 3.37Å; H533-E535 IonicContact CE1-OE1 2.8Å; H533-E535 PolarHBondContact CE1-OE1 3.14Å; H533-E535 WeakPolarHBondContact ND1-CG 3.38Å; H533-E535 IonicContact ND1-OE1 3.62Å; H533-E535 PolarHBondContact ND1-OE1 2.8Å; H533-E535 PolarHBondContact O-N 3.39Å; E535-P537 WeakPolarHBondContact O-CD 3.31Å; E535-P537 VanDerWaalsContact O-N 3.17Å; E535-R543 IonicContact OE2-CZ 3.21Å; E535-R543 VanDerWaalsContact OE2-CZ 3.3Å; E535-R543 IonicContact OE2-NH1 2.78Å; E535-R543 PolarHBondContact OE2-NH1 3.27Å; E535-R543 IonicContact OE2-NH2 2.98Å; E535-R543 PolarHBondContact OE2-NH2 3.32Å
536	D	56.8	Low	62.4	Low	87 Å²	87	108.1 Å²	108.1	47%	0.465	57%	0.572	S	S	.	*			trans	-59.5	123	168.5	-169.2	-27.6	0	0	0	105.4	A534 Q538 D539 E540	A534-D536 PolarHBondContact O-N 3.4Å; A534-D536 VanDerWaalsContact O-N 3.11Å; D536-Q538 PolarHBondContact O-N 2.86Å; D536-Q538 PolarHBondContact OD1-N 2.89Å; D536-Q538 VanDerWaalsContact OD1-N 3.08Å; D536-D539 HydrophobicContact CB-CB 4.41Å; D536-D539 PolarHBondContact O-N 3.27Å; D536-E540 PolarHBondContact O-N 3.19Å; D536-E540 VanDerWaalsContact O-N 3.16Å
537	P	68.4	Low	64.6	Low	95 Å²	95	105 Å²	105	62%	0.617	55%	0.547	S	S	*	.	H	α-helix	trans	-56.9	-16.3	178.7	22.1	-34.5	0	0	0	112.5	E535 Q541	E535-P537 WeakPolarHBondContact O-CD 3.31Å; E535-P537 VanDerWaalsContact O-N 3.17Å; P537-Q541 WeakPolarHBondContact O-CB 3.46Å; P537-Q541 PolarHBondContact O-N 3.14Å; P537-Q541 VanDerWaalsContact O-N 3.08Å
538	Q	69.5	Low	67	Low	138 Å²	138	99 Å²	99	65%	0.645	51%	0.514	S	S	*	.	H	α-helix	trans	-73.8	-38.7	169.8	-158.4	167.1	-70.2	0	0	113.5	D536 Q541 E542	D536-Q538 PolarHBondContact O-N 2.86Å; D536-Q538 PolarHBondContact OD1-N 2.89Å; D536-Q538 VanDerWaalsContact OD1-N 3.08Å; Q538-Q541 PolarHBondContact O-N 3.25Å; Q538-E542 WeakPolarHBondContact O-CB 3.19Å; Q538-E542 PolarHBondContact O-N 2.75Å
539	D	78.6	Confident	69.2	Low	91 Å²	91	93.3 Å²	93.3	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-71.5	-31.2	176	-69.8	-2.5	0	0	0	111.9	D536 R543	D536-D539 HydrophobicContact CB-CB 4.41Å; D536-D539 PolarHBondContact O-N 3.27Å; D539-R543 WeakPolarHBondContact O-CG 3.42Å; D539-R543 PolarHBondContact O-N 2.85Å; D539-R543 PolarHBondContact O-NE 2.8Å; D539-R543 PolarHBondContact O-NH2 2.61Å
540	E	78.3	Confident	71.6	Confident	98 Å²	98	90.3 Å²	90.3	46%	0.458	47%	0.47	S	S	.	.	H	α-helix	trans	-67.3	-43.7	168.4	-164.7	-176.4	-170.5	0	0	110.8	D536 I544	D536-E540 PolarHBondContact O-N 3.19Å; D536-E540 VanDerWaalsContact O-N 3.16Å; E540-I544 HydrophobicContact CG-CD1 4.09Å; E540-I544 WeakPolarHBondContact O-CD1 3.36Å; E540-I544 VanDerWaalsContact O-CG1 3.26Å; E540-I544 WeakPolarHBondContact O-CG1 3.49Å; E540-I544 PolarHBondContact O-N 2.74Å
541	Q	81.4	Confident	74.3	Confident	83 Å²	83	87.4 Å²	87.4	39%	0.388	44%	0.44	S	S	.	.	H	α-helix	trans	-64.7	-39.6	177.9	-177.7	58.6	92.3	0	0	112.9	P537 Q538 I544 E545 L596	P537-Q541 WeakPolarHBondContact O-CB 3.46Å; P537-Q541 PolarHBondContact O-N 3.14Å; P537-Q541 VanDerWaalsContact O-N 3.08Å; Q538-Q541 PolarHBondContact O-N 3.25Å; Q541-I544 PolarHBondContact O-N 2.72Å; Q541-E545 PolarHBondContact O-N 3.09Å; Q541-L596 VanDerWaalsContact NE2-CD2 3.32Å
542	E	83.9	Confident	76.7	Confident	115 Å²	115	80.8 Å²	80.8	54%	0.537	41%	0.409	S	S	.	.	H	α-helix	trans	-68.5	-45.1	178.4	-171.6	161.1	-164.8	0	0	111.3	Q538 I544 E545 E546	Q538-E542 WeakPolarHBondContact O-CB 3.19Å; Q538-E542 PolarHBondContact O-N 2.75Å; E542-I544 VanDerWaalsContact C-N 3.28Å; E542-I544 PolarHBondContact O-N 3.07Å; E542-E545 PolarHBondContact O-N 3.21Å; E542-E545 VanDerWaalsContact O-N 3.09Å; E542-E546 PolarHBondContact O-N 2.59Å
543	R	87.4	Confident	79.5	Confident	105 Å²	105	76.9 Å²	76.9	40%	0.396	39%	0.388	S	S	.	.	H	α-helix	trans	-57.5	-38.4	172.1	-78.9	176	-71.7	149.6	-5.1	113	E535 D539 R547	E535-R543 IonicContact OE2-CZ 3.21Å; E535-R543 VanDerWaalsContact OE2-CZ 3.3Å; E535-R543 IonicContact OE2-NH1 2.78Å; E535-R543 PolarHBondContact OE2-NH1 3.27Å; E535-R543 IonicContact OE2-NH2 2.98Å; E535-R543 PolarHBondContact OE2-NH2 3.32Å; D539-R543 WeakPolarHBondContact O-CG 3.42Å; D539-R543 PolarHBondContact O-N 2.85Å; D539-R543 PolarHBondContact O-NE 2.8Å; D539-R543 PolarHBondContact O-NH2 2.61Å; R543-R547 WeakPolarHBondContact O-CB 3.35Å; R543-R547 PolarHBondContact O-N 3.2Å; R543-R547 VanDerWaalsContact O-N 3.14Å
544	I	87.1	Confident	82	Confident	56 Å²	56	75.6 Å²	75.6	29%	0.287	38%	0.382	S	S	.	.	H	α-helix	trans	-69	-41.1	175.9	-69.5	166.9	0	0	0	110.6	E540 Q541 E542 R547 L548 L596	E540-I544 HydrophobicContact CG-CD1 4.09Å; E540-I544 WeakPolarHBondContact O-CD1 3.36Å; E540-I544 VanDerWaalsContact O-CG1 3.26Å; E540-I544 WeakPolarHBondContact O-CG1 3.49Å; E540-I544 PolarHBondContact O-N 2.74Å; Q541-I544 PolarHBondContact O-N 2.72Å; E542-I544 VanDerWaalsContact C-N 3.28Å; E542-I544 PolarHBondContact O-N 3.07Å; I544-R547 PolarHBondContact O-N 2.7Å; I544-L548 HydrophobicContact CG2-CD1 3.78Å; I544-L548 HydrophobicContact CG2-CG 4.37Å; I544-L548 WeakPolarHBondContact O-CB 3.22Å; I544-L548 VanDerWaalsContact O-CG 3.26Å; I544-L548 WeakPolarHBondContact O-CG 3.46Å; I544-L548 PolarHBondContact O-N 3.13Å; I544-L596 HydrophobicContact CG2-CD1 3.96Å; I544-L596 HydrophobicContact CG2-CD2 4.17Å
545	E	88.9	Confident	84.5	Confident	81 Å²	81	71.1 Å²	71.1	38%	0.379	35%	0.345	S	S	.	.	H	α-helix	trans	-68	-42.3	178	-171.1	156.4	-146.2	0	0	112.2	Q541 E542 R547 L548 A549 K593	Q541-E545 PolarHBondContact O-N 3.09Å; E542-E545 PolarHBondContact O-N 3.21Å; E542-E545 VanDerWaalsContact O-N 3.09Å; E545-R547 VanDerWaalsContact C-N 3.33Å; E545-R547 PolarHBondContact O-N 2.85Å; E545-L548 PolarHBondContact O-N 2.86Å; E545-A549 WeakPolarHBondContact O-CB 3.43Å; E545-A549 PolarHBondContact O-N 3.18Å; E545-K593 IonicContact OE1-NZ 3.81Å; E545-K593 PolarHBondContact OE1-NZ 3.34Å; E545-K593 IonicContact OE2-NZ 3.66Å
546	E	90.1	Very high	86.4	Confident	133 Å²	133	68.2 Å²	68.2	62%	0.621	34%	0.337	S	S	*	.	H	α-helix	trans	-57.5	-43.8	171.9	-74.5	-162.7	135.4	0	0	112.3	E542 A549 Y550	E542-E546 PolarHBondContact O-N 2.59Å; E546-A549 WeakPolarHBondContact O-CB 3.49Å; E546-A549 PolarHBondContact O-N 3.44Å; E546-Y550 PolarHBondContact O-N 3.06Å
547	R	90.6	Very high	88.3	Confident	39 Å²	39	72 Å²	72	15%	0.147	35%	0.35	C	S	.	.	H	α-helix	trans	-71.4	-36.5	180	-179.2	158.9	158.4	-91.3	1.7	112.3	R543 I544 E545 Y550 I551 D605	R543-R547 WeakPolarHBondContact O-CB 3.35Å; R543-R547 PolarHBondContact O-N 3.2Å; R543-R547 VanDerWaalsContact O-N 3.14Å; I544-R547 PolarHBondContact O-N 2.7Å; E545-R547 VanDerWaalsContact C-N 3.33Å; E545-R547 PolarHBondContact O-N 2.85Å; R547-Y550 PolarHBondContact O-N 3.31Å; R547-I551 HydrophobicContact CG-CD1 4.2Å; R547-I551 WeakPolarHBondContact O-CD1 3.41Å; R547-I551 VanDerWaalsContact O-CG1 3.27Å; R547-I551 WeakPolarHBondContact O-CG1 3.4Å; R547-I551 PolarHBondContact O-N 3.09Å; R547-I551 VanDerWaalsContact O-N 3.09Å; R547-D605 IonicContact CZ-OD1 2.98Å; R547-D605 IonicContact CZ-OD2 3.14Å; R547-D605 VanDerWaalsContact CZ-OD2 3.24Å; R547-D605 IonicContact NH1-OD1 3.19Å; R547-D605 PolarHBondContact NH1-OD1 2.82Å; R547-D605 IonicContact NH1-OD2 2.73Å; R547-D605 PolarHBondContact NH1-OD2 2.87Å; R547-D605 IonicContact NH2-OD1 2.67Å; R547-D605 PolarHBondContact NH2-OD1 3.31Å; R547-D605 IonicContact NH2-OD2 3.75Å; R547-D605 PolarHBondContact NH2-OD2 2.93Å
548	L	92.8	Very high	89.7	Confident	12 Å²	12	68.3 Å²	68.3	6%	0.063	33%	0.326	C	S	.	.	H	α-helix	trans	-68.1	-36.8	172.9	-71.2	170.2	0	0	0	111.9	I544 E545 I551 A552 L592 W595 L596 L608	I544-L548 HydrophobicContact CG2-CD1 3.78Å; I544-L548 HydrophobicContact CG2-CG 4.37Å; I544-L548 WeakPolarHBondContact O-CB 3.22Å; I544-L548 VanDerWaalsContact O-CG 3.26Å; I544-L548 WeakPolarHBondContact O-CG 3.46Å; I544-L548 PolarHBondContact O-N 3.13Å; E545-L548 PolarHBondContact O-N 2.86Å; L548-I551 HydrophobicContact CD2-CD1 4.25Å; L548-I551 PolarHBondContact O-N 3.39Å; L548-A552 WeakPolarHBondContact O-CB 3.38Å; L548-A552 PolarHBondContact O-N 3.47Å; L548-L592 HydrophobicContact CB-CB 4.29Å; L548-L592 HydrophobicContact CB-CD1 4.26Å; L548-L592 HydrophobicContact CD2-CB 4.35Å; L548-L592 HydrophobicContact CD2-CD1 4.04Å; L548-L592 WeakPolarHBondContact O-CD1 3.41Å; L548-W595 HydrophobicContact CD1-CZ3 4.48Å; L548-W595 HydrophobicContact CD2-CE3 4.45Å; L548-W595 HydrophobicContact CD2-CZ3 3.94Å; L548-L596 HydrophobicContact CD1-CB 4.28Å; L548-L596 HydrophobicContact CD1-CD1 4.21Å; L548-L596 HydrophobicContact CD1-CD2 3.68Å; L548-L596 HydrophobicContact CD1-CG 4.29Å; L548-L608 HydrophobicContact CD2-CD2 3.54Å
549	A	93.1	Very high	91.1	Very high	27 Å²	27	61.8 Å²	61.8	22%	0.223	30%	0.296	C	S	.	.	H	α-helix	trans	-56.6	-49.2	170.2	0	0	0	0	0	111.5	E545 E546 I551 A552 D553 H589	E545-A549 WeakPolarHBondContact O-CB 3.43Å; E545-A549 PolarHBondContact O-N 3.18Å; E546-A549 WeakPolarHBondContact O-CB 3.49Å; E546-A549 PolarHBondContact O-N 3.44Å; A549-I551 VanDerWaalsContact C-N 3.29Å; A549-I551 PolarHBondContact O-N 3.06Å; A549-A552 WeakPolarHBondContact O-CB 3.32Å; A549-A552 PolarHBondContact O-N 2.99Å; A549-A552 VanDerWaalsContact O-N 3.13Å; A549-D553 PolarHBondContact O-N 3.24Å; A549-H589 VanDerWaalsContact CA-CE1 3.46Å; A549-H589 WeakPolarHBondContact CA-CE1 3.43Å; A549-H589 WeakPolarHBondContact CB-CE1 3.23Å; A549-H589 PolarHBondContact O-NE2 2.99Å
550	Y	93.4	Very high	92	Very high	93 Å²	93	58.9 Å²	58.9	37%	0.365	28%	0.281	S	S	.	.	H	α-helix	trans	-60.4	-35.7	176.8	-172.9	-117.3	0	0	0	113.5	E546 R547 H554 L623	E546-Y550 PolarHBondContact O-N 3.06Å; R547-Y550 PolarHBondContact O-N 3.31Å; Y550-H554 AromaticContact CE2-CE1 3.63Å; Y550-H554 AromaticContact CZ-CE1 3.82Å; Y550-H554 PolarHBondContact O-ND1 3.24Å; Y550-L623 HydrophobicContact CD1-CD2 4.27Å; Y550-L623 HydrophobicContact CD1-CG 4.41Å; Y550-L623 HydrophobicContact CE1-CD1 3.76Å; Y550-L623 HydrophobicContact CE1-CD2 3.78Å; Y550-L623 HydrophobicContact CE1-CG 3.68Å
551	I	94.7	Very high	92.9	Very high	2 Å²	2	59 Å²	59	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-69.4	-42.5	174.5	-68.2	159.4	0	0	0	111	R547 L548 A549 D553 H554 L555 L592 L608 I620 M624	R547-I551 HydrophobicContact CG-CD1 4.2Å; R547-I551 WeakPolarHBondContact O-CD1 3.41Å; R547-I551 VanDerWaalsContact O-CG1 3.27Å; R547-I551 WeakPolarHBondContact O-CG1 3.4Å; R547-I551 PolarHBondContact O-N 3.09Å; R547-I551 VanDerWaalsContact O-N 3.09Å; L548-I551 HydrophobicContact CD2-CD1 4.25Å; L548-I551 PolarHBondContact O-N 3.39Å; A549-I551 VanDerWaalsContact C-N 3.29Å; A549-I551 PolarHBondContact O-N 3.06Å; I551-D553 VanDerWaalsContact C-N 3.34Å; I551-D553 PolarHBondContact O-N 3.41Å; I551-H554 PolarHBondContact O-N 2.85Å; I551-L555 PolarHBondContact O-N 2.88Å; I551-L592 HydrophobicContact CB-CD1 4.13Å; I551-L592 HydrophobicContact CG2-CD1 3.85Å; I551-L608 HydrophobicContact CD1-CD2 4Å; I551-L608 HydrophobicContact CG2-CD2 4.48Å; I551-I620 HydrophobicContact CG2-CG2 3.78Å; I551-M624 HydrophobicContact CD1-CE 3.8Å; I551-M624 HydrophobicContact CD1-CG 3.62Å; I551-M624 HydrophobicContact CD1-SD 3.72Å; I551-M624 HydrophobicContact CG1-CG 3.77Å; I551-M624 HydrophobicContact CG1-SD 4.23Å
552	A	96.3	Very high	93.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-37.8	179.9	0	0	0	0	0	112.9	L548 A549 H554 L555 S588 H589 L592	L548-A552 WeakPolarHBondContact O-CB 3.38Å; L548-A552 PolarHBondContact O-N 3.47Å; A549-A552 WeakPolarHBondContact O-CB 3.32Å; A549-A552 PolarHBondContact O-N 2.99Å; A549-A552 VanDerWaalsContact O-N 3.13Å; A552-H554 PolarHBondContact O-N 3.2Å; A552-L555 WeakPolarHBondContact O-CB 3.48Å; A552-L555 PolarHBondContact O-N 3.41Å; A552-L555 VanDerWaalsContact O-N 3.08Å; A552-S588 WeakPolarHBondContact O-CB 3.34Å; A552-S588 PolarHBondContact O-OG 3.31Å; A552-H589 HydrophobicContact CB-CB 4.35Å; A552-H589 WeakPolarHBondContact CB-CD2 3.46Å; A552-L592 HydrophobicContact CB-CD1 3.96Å
553	D	95.8	Very high	94.4	Very high	76 Å²	76	49.6 Å²	49.6	41%	0.406	24%	0.238	S	C	.	.	H	α-helix	trans	-55.7	-37	174.2	-70.2	3.4	0	0	0	112.3	A549 I551 Q585 H589	A549-D553 PolarHBondContact O-N 3.24Å; I551-D553 VanDerWaalsContact C-N 3.34Å; I551-D553 PolarHBondContact O-N 3.41Å; D553-Q585 WeakPolarHBondContact OD1-CG 3.28Å; D553-Q585 PolarHBondContact OD1-NE2 3.03Å; D553-H589 IonicContact OD1-CD2 3.69Å; D553-H589 IonicContact OD1-CE1 2.71Å; D553-H589 IonicContact OD1-NE2 3.78Å; D553-H589 PolarHBondContact OD1-NE2 2.81Å
554	H	96.1	Very high	94.9	Very high	82 Å²	82	50 Å²	50	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-88	-16.7	179.3	-65.4	80.8	0	0	0	113.1	Y550 I551 A552 R617 I620 L623	Y550-H554 AromaticContact CE2-CE1 3.63Å; Y550-H554 AromaticContact CZ-CE1 3.82Å; Y550-H554 PolarHBondContact O-ND1 3.24Å; I551-H554 PolarHBondContact O-N 2.85Å; A552-H554 PolarHBondContact O-N 3.2Å; H554-R617 PolarHBondContact O-NH1 3.17Å; H554-R617 PolarHBondContact O-NH2 3.34Å; H554-I620 HydrophobicContact CB-CD1 4.36Å; H554-I620 HydrophobicContact CB-CG1 4.22Å; H554-L623 HydrophobicContact CB-CD2 4Å; H554-L623 WeakPolarHBondContact ND1-CD2 3.39Å
555	L	96.7	Very high	95.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-48.3	-174.8	-169.5	60.9	0	0	0	112.4	I551 A552 F557 S558 W559 L562 L591 L612 R617 I620	I551-L555 PolarHBondContact O-N 2.88Å; A552-L555 WeakPolarHBondContact O-CB 3.48Å; A552-L555 PolarHBondContact O-N 3.41Å; A552-L555 VanDerWaalsContact O-N 3.08Å; L555-F557 PolarHBondContact O-N 2.87Å; L555-S558 WeakPolarHBondContact O-CB 3.38Å; L555-S558 PolarHBondContact O-N 3.47Å; L555-W559 HydrophobicContact CD2-CB 3.74Å; L555-W559 HydrophobicContact CG-CB 4.03Å; L555-L562 HydrophobicContact CD1-CB 4.33Å; L555-L562 HydrophobicContact CD1-CD2 4Å; L555-L562 HydrophobicContact CD2-CB 4.38Å; L555-L562 HydrophobicContact CD2-CD2 3.55Å; L555-L562 HydrophobicContact CG-CD2 4.46Å; L555-L591 HydrophobicContact CD2-CD2 4.35Å; L555-L612 HydrophobicContact CD1-CD2 3.93Å; L555-R617 PolarHBondContact O-NH1 3.28Å; L555-I620 HydrophobicContact CB-CD1 4.24Å; L555-I620 HydrophobicContact CD1-CD1 3.77Å
556	G	94.9	Very high	95.7	Very high	20 Å²	20	47.2 Å²	47.2	21%	0.206	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	50.6	-137.4	177.8	0	0	0	0	0	113	S558 W559	G556-S558 PolarHBondContact O-N 3.18Å; G556-W559 WeakPolarHBondContact O-CB 3.22Å; G556-W559 PolarHBondContact O-N 3.37Å
557	F	96.1	Very high	96.1	Very high	167 Å²	167	47.6 Å²	47.6	73%	0.732	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-53.1	-27.5	-177.9	-66.4	-80.1	0	0	0	115.1	L555 W559 T560 L584	L555-F557 PolarHBondContact O-N 2.87Å; F557-W559 PolarHBondContact O-N 3.34Å; F557-W559 VanDerWaalsContact O-N 3.14Å; F557-T560 PolarHBondContact O-OG1 2.6Å; F557-L584 HydrophobicContact CD1-CD1 3.75Å; F557-L584 HydrophobicContact CD1-CD2 4.14Å; F557-L584 HydrophobicContact CD2-CD1 4.01Å; F557-L584 HydrophobicContact CE1-CD1 3.47Å; F557-L584 VanDerWaalsContact CE1-CD1 3.47Å; F557-L584 HydrophobicContact CE1-CD2 4.31Å; F557-L584 HydrophobicContact CE2-CD1 3.73Å; F557-L584 HydrophobicContact CG-CD1 4.02Å; F557-L584 HydrophobicContact CZ-CD1 3.46Å; F557-L584 VanDerWaalsContact CZ-CD1 3.46Å
558	S	97.8	Very high	96.4	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.119	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-65.8	-10	177.6	-61.6	0	0	0	0	113.5	L555 G556 T560 E561 L562 R617	L555-S558 WeakPolarHBondContact O-CB 3.38Å; L555-S558 PolarHBondContact O-N 3.47Å; G556-S558 PolarHBondContact O-N 3.18Å; S558-T560 PolarHBondContact O-N 2.85Å; S558-E561 PolarHBondContact O-N 3.09Å; S558-L562 PolarHBondContact O-N 3Å; S558-R617 WeakPolarHBondContact OG-CD 3.28Å; S558-R617 PolarHBondContact OG-NH1 2.61Å
559	W	98.3	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-56.9	-37.6	177.8	83	-109.1	0	0	0	112.1	L555 G556 F557 E561 L562 A563 I573 I576 R577 Q587 L591	L555-W559 HydrophobicContact CD2-CB 3.74Å; L555-W559 HydrophobicContact CG-CB 4.03Å; G556-W559 WeakPolarHBondContact O-CB 3.22Å; G556-W559 PolarHBondContact O-N 3.37Å; F557-W559 PolarHBondContact O-N 3.34Å; F557-W559 VanDerWaalsContact O-N 3.14Å; W559-E561 PolarHBondContact O-N 2.92Å; W559-L562 PolarHBondContact O-N 3.43Å; W559-A563 HydrophobicContact CE3-CB 4.41Å; W559-A563 VanDerWaalsContact O-CB 3.22Å; W559-A563 WeakPolarHBondContact O-CB 3.44Å; W559-A563 PolarHBondContact O-N 3.18Å; W559-I573 HydrophobicContact CH2-CG2 3.91Å; W559-I573 WeakPolarHBondContact CH2-O 3.4Å; W559-I573 HydrophobicContact CZ3-CB 4.44Å; W559-I573 HydrophobicContact CZ3-CG2 3.9Å; W559-I576 HydrophobicContact CE3-CG2 4.45Å; W559-I576 HydrophobicContact CH2-CB 3.99Å; W559-I576 HydrophobicContact CH2-CG2 3.69Å; W559-I576 HydrophobicContact CZ2-CG2 4.35Å; W559-I576 HydrophobicContact CZ3-CB 4.09Å; W559-I576 HydrophobicContact CZ3-CD1 4.26Å; W559-I576 HydrophobicContact CZ3-CG2 3.76Å; W559-R577 HydrophobicContact CH2-CB 4.24Å; W559-R577 HydrophobicContact CZ2-CB 4.2Å; W559-Q587 HydrophobicContact CD2-CB 4.1Å; W559-Q587 VanDerWaalsContact CE2-OE1 3.23Å; W559-Q587 HydrophobicContact CG-CB 4.36Å; W559-Q587 HydrophobicContact CZ2-CB 3.79Å; W559-Q587 HydrophobicContact CZ2-CG 3.98Å; W559-L591 HydrophobicContact CB-CD2 4.17Å; W559-L591 HydrophobicContact CE3-CB 4.47Å; W559-L591 HydrophobicContact CE3-CD2 4.29Å; W559-L591 VanDerWaalsContact O-CD2 3.28Å; W559-L591 WeakPolarHBondContact O-CD2 3.21Å
560	T	97.8	Very high	96.9	Very high	29 Å²	29	51.9 Å²	51.9	18%	0.178	25%	0.253	C	S	.	.	H	α-helix	trans	-71.4	-18	178.5	65.7	0	0	0	0	113.9	F557 S558 R564 I573	F557-T560 PolarHBondContact O-OG1 2.6Å; S558-T560 PolarHBondContact O-N 2.85Å; T560-R564 PolarHBondContact O-NH1 2.75Å; T560-I573 HydrophobicContact CG2-CG2 4.3Å
561	E	98	Very high	97.1	Very high	102 Å²	102	55.2 Å²	55.2	48%	0.477	27%	0.272	S	S	.	.	H	α-helix	trans	-90.8	-44.7	175.9	-61.6	-178.5	147.3	0	0	109.7	S558 W559 A563 R564 E565 I615	S558-E561 PolarHBondContact O-N 3.09Å; W559-E561 PolarHBondContact O-N 2.92Å; E561-A563 VanDerWaalsContact C-N 3.28Å; E561-A563 PolarHBondContact O-N 2.98Å; E561-R564 PolarHBondContact O-N 2.78Å; E561-E565 PolarHBondContact O-N 2.8Å; E561-E565 VanDerWaalsContact O-N 3.11Å; E561-I615 HydrophobicContact CB-CB 4.38Å; E561-I615 HydrophobicContact CB-CG2 3.96Å
562	L	98.1	Very high	97.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.5	-43.6	171.7	-171.7	67.7	0	0	0	111.2	L555 S558 W559 R564 E565 L566 L591 L592 L608 C611 L612 I615	L555-L562 HydrophobicContact CD1-CB 4.33Å; L555-L562 HydrophobicContact CD1-CD2 4Å; L555-L562 HydrophobicContact CD2-CB 4.38Å; L555-L562 HydrophobicContact CD2-CD2 3.55Å; L555-L562 HydrophobicContact CG-CD2 4.46Å; S558-L562 PolarHBondContact O-N 3Å; W559-L562 PolarHBondContact O-N 3.43Å; L562-R564 VanDerWaalsContact C-N 3.3Å; L562-R564 PolarHBondContact O-N 2.96Å; L562-E565 CarbonylContact O-C 3.58Å; L562-E565 PolarHBondContact O-N 2.91Å; L562-E565 VanDerWaalsContact O-N 3.14Å; L562-L566 HydrophobicContact CD1-CD1 4.3Å; L562-L566 HydrophobicContact CD1-CG 4.29Å; L562-L566 HydrophobicContact CD2-CD1 4.09Å; L562-L566 HydrophobicContact CG-CD1 3.76Å; L562-L566 HydrophobicContact CG-CG 4.12Å; L562-L566 WeakPolarHBondContact O-CB 3.26Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.43Å; L562-L566 PolarHBondContact O-N 2.88Å; L562-L591 HydrophobicContact CB-CD2 4.24Å; L562-L591 HydrophobicContact CD2-CD2 4.25Å; L562-L591 HydrophobicContact CG-CD2 4.43Å; L562-L592 HydrophobicContact CD2-CD2 3.89Å; L562-L608 HydrophobicContact CD1-CD1 4.24Å; L562-L608 HydrophobicContact CD2-CD1 3.86Å; L562-C611 HydrophobicContact CD1-CB 3.73Å; L562-L612 HydrophobicContact CD1-CD2 4.11Å; L562-L612 HydrophobicContact CD1-CG 4.13Å; L562-L612 HydrophobicContact CD2-CD2 4.36Å; L562-I615 HydrophobicContact CB-CD1 3.77Å; L562-I615 HydrophobicContact CD1-CD1 4.09Å
563	A	97.9	Very high	97.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-56.6	-43.1	178.1	0	0	0	0	0	112.4	W559 E561 L566 D567 F568 I573 L591	W559-A563 HydrophobicContact CE3-CB 4.41Å; W559-A563 VanDerWaalsContact O-CB 3.22Å; W559-A563 WeakPolarHBondContact O-CB 3.44Å; W559-A563 PolarHBondContact O-N 3.18Å; E561-A563 VanDerWaalsContact C-N 3.28Å; E561-A563 PolarHBondContact O-N 2.98Å; A563-L566 CarbonylContact O-C 3.59Å; A563-L566 PolarHBondContact O-N 3.5Å; A563-D567 PolarHBondContact O-N 3.04Å; A563-F568 HydrophobicContact CB-CB 4.13Å; A563-F568 HydrophobicContact CB-CG 4.45Å; A563-F568 VanDerWaalsContact O-CB 3.27Å; A563-F568 WeakPolarHBondContact O-CB 3.12Å; A563-F568 WeakPolarHBondContact O-CD2 3.39Å; A563-F568 PolarHBondContact O-N 3.43Å; A563-I573 HydrophobicContact CB-CD1 3.66Å; A563-I573 HydrophobicContact CB-CG1 3.67Å; A563-L591 HydrophobicContact CB-CD1 3.51Å; A563-L591 HydrophobicContact CB-CD2 3.86Å; A563-L591 HydrophobicContact CB-CG 4.33Å
564	R	97.8	Very high	97.5	Very high	114 Å²	114	59.4 Å²	59.4	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-70.3	-33.8	178.6	-66.5	-174.5	-170.5	106.4	-0.9	112.5	T560 E561 L562 L566 D567 E570 I573	T560-R564 PolarHBondContact O-NH1 2.75Å; E561-R564 PolarHBondContact O-N 2.78Å; L562-R564 VanDerWaalsContact C-N 3.3Å; L562-R564 PolarHBondContact O-N 2.96Å; R564-L566 VanDerWaalsContact C-N 3.34Å; R564-D567 PolarHBondContact O-N 3.07Å; R564-E570 IonicContact CZ-OE2 2.8Å; R564-E570 IonicContact NE-OE2 3.64Å; R564-E570 PolarHBondContact NE-OE2 3.11Å; R564-E570 VanDerWaalsContact NH2-CD 3.28Å; R564-E570 IonicContact NH2-OE1 3.49Å; R564-E570 PolarHBondContact NH2-OE1 3.29Å; R564-E570 IonicContact NH2-OE2 3.72Å; R564-E570 PolarHBondContact NH2-OE2 3.45Å; R564-I573 HydrophobicContact CG-CD1 3.53Å
565	E	97.7	Very high	97.6	Very high	74 Å²	74	59.8 Å²	59.8	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-77.2	-22	175.6	-167.5	59	-129.1	0	0	112.7	E561 L562 D567 C611 K614 I615	E561-E565 PolarHBondContact O-N 2.8Å; E561-E565 VanDerWaalsContact O-N 3.11Å; L562-E565 CarbonylContact O-C 3.58Å; L562-E565 PolarHBondContact O-N 2.91Å; L562-E565 VanDerWaalsContact O-N 3.14Å; E565-D567 VanDerWaalsContact C-N 3.25Å; E565-D567 PolarHBondContact O-N 3.23Å; E565-C611 HydrophobicContact CB-CB 4.31Å; E565-C611 HydrophobicContact CG-CB 3.8Å; E565-K614 HydrophobicContact CG-CB 4.18Å; E565-K614 HydrophobicContact CG-CD 3.62Å; E565-K614 WeakPolarHBondContact OE1-CD 3.39Å; E565-K614 VanDerWaalsContact OE1-CE 3.3Å; E565-K614 WeakPolarHBondContact OE1-CE 3.47Å; E565-K614 IonicContact OE1-NZ 3.22Å; E565-K614 PolarHBondContact OE1-NZ 3.43Å; E565-I615 HydrophobicContact CB-CG2 4.35Å
566	L	96.4	Very high	97.6	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	20.5	166.5	-64.3	177.1	0	0	0	112.4	L562 A563 R564 F568 W595 R598 N607 C611	L562-L566 HydrophobicContact CD1-CD1 4.3Å; L562-L566 HydrophobicContact CD1-CG 4.29Å; L562-L566 HydrophobicContact CD2-CD1 4.09Å; L562-L566 HydrophobicContact CG-CD1 3.76Å; L562-L566 HydrophobicContact CG-CG 4.12Å; L562-L566 WeakPolarHBondContact O-CB 3.26Å; L562-L566 VanDerWaalsContact O-CG 3.31Å; L562-L566 WeakPolarHBondContact O-CG 3.43Å; L562-L566 PolarHBondContact O-N 2.88Å; A563-L566 CarbonylContact O-C 3.59Å; A563-L566 PolarHBondContact O-N 3.5Å; R564-L566 VanDerWaalsContact C-N 3.34Å; L566-F568 VanDerWaalsContact C-N 3.27Å; L566-F568 HydrophobicContact CB-CD2 3.89Å; L566-F568 HydrophobicContact CB-CE2 4.01Å; L566-F568 WeakPolarHBondContact O-CD2 3.45Å; L566-F568 PolarHBondContact O-N 3.28Å; L566-F568 VanDerWaalsContact O-N 3.17Å; L566-W595 HydrophobicContact CD1-CB 4.32Å; L566-W595 HydrophobicContact CD1-CD2 4.27Å; L566-W595 HydrophobicContact CD1-CG 3.9Å; L566-R598 VanDerWaalsContact O-CZ 3.23Å; L566-R598 PolarHBondContact O-NH1 3.09Å; L566-R598 PolarHBondContact O-NH2 3.01Å; L566-N607 WeakPolarHBondContact CD2-OD1 3.26Å; L566-C611 HydrophobicContact CD2-CB 3.96Å; L566-C611 HydrophobicContact CG-CB 4.45Å
567	D	97.1	Very high	97.8	Very high	141 Å²	141	62.7 Å²	62.7	75%	0.754	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	25.8	178.3	-77.1	-46	0	0	0	115.9	A563 R564 E565	A563-D567 PolarHBondContact O-N 3.04Å; R564-D567 PolarHBondContact O-N 3.07Å; E565-D567 VanDerWaalsContact C-N 3.25Å; E565-D567 PolarHBondContact O-N 3.23Å
568	F	97.7	Very high	97.9	Very high	12 Å²	12	60.4 Å²	60.4	5%	0.053	29%	0.29	C	S	.	.			trans	-73.1	137.5	169	-75	-106.8	0	0	0	111.2	A563 L566 Q572 I573 L591 W595	A563-F568 HydrophobicContact CB-CB 4.13Å; A563-F568 HydrophobicContact CB-CG 4.45Å; A563-F568 VanDerWaalsContact O-CB 3.27Å; A563-F568 WeakPolarHBondContact O-CB 3.12Å; A563-F568 WeakPolarHBondContact O-CD2 3.39Å; A563-F568 PolarHBondContact O-N 3.43Å; L566-F568 VanDerWaalsContact C-N 3.27Å; L566-F568 HydrophobicContact CB-CD2 3.89Å; L566-F568 HydrophobicContact CB-CE2 4.01Å; L566-F568 WeakPolarHBondContact O-CD2 3.45Å; L566-F568 PolarHBondContact O-N 3.28Å; L566-F568 VanDerWaalsContact O-N 3.17Å; F568-Q572 HydrophobicContact CD1-CB 4.03Å; F568-I573 HydrophobicContact CB-CD1 4.43Å; F568-I573 HydrophobicContact CB-CG1 4.18Å; F568-L591 HydrophobicContact CD1-CD1 4.19Å; F568-L591 HydrophobicContact CD2-CD1 3.84Å; F568-L591 HydrophobicContact CE1-CD1 4.1Å; F568-L591 HydrophobicContact CE2-CD1 3.75Å; F568-L591 HydrophobicContact CG-CD1 4.07Å; F568-L591 HydrophobicContact CZ-CD1 3.88Å; F568-W595 HydrophobicContact CE2-CB 4Å; F568-W595 HydrophobicContact CZ-CB 4Å
569	T	98	Very high	97.8	Very high	73 Å²	73	63.4 Å²	63.4	45%	0.448	30%	0.302	S	S	.	.			trans	-69.2	151	173.6	64.3	0	0	0	0	111.3	E571 Q572 I573	T569-E571 PolarHBondContact O-N 3.35Å; T569-E571 VanDerWaalsContact O-N 3.11Å; T569-Q572 PolarHBondContact O-N 2.76Å; T569-Q572 WeakPolarHBondContact OG1-CG 3.28Å; T569-Q572 PolarHBondContact OG1-N 2.93Å; T569-Q572 PolarHBondContact OG1-OE1 3.09Å; T569-I573 WeakPolarHBondContact O-CG1 3.29Å; T569-I573 PolarHBondContact O-N 2.78Å
570	E	98	Very high	97.7	Very high	83 Å²	83	65.1 Å²	65.1	39%	0.388	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-24	175	-165.8	68.9	-149.6	0	0	111.9	R564 H574	R564-E570 IonicContact CZ-OE2 2.8Å; R564-E570 IonicContact NE-OE2 3.64Å; R564-E570 PolarHBondContact NE-OE2 3.11Å; R564-E570 VanDerWaalsContact NH2-CD 3.28Å; R564-E570 IonicContact NH2-OE1 3.49Å; R564-E570 PolarHBondContact NH2-OE1 3.29Å; R564-E570 IonicContact NH2-OE2 3.72Å; R564-E570 PolarHBondContact NH2-OE2 3.45Å; E570-H574 PolarHBondContact O-N 3.38Å; E570-H574 PolarHBondContact O-ND1 3.04Å; E570-H574 IonicContact OE1-CE1 3.24Å; E570-H574 PolarHBondContact OE1-CE1 2.89Å; E570-H574 VanDerWaalsContact OE1-CE1 3.31Å; E570-H574 IonicContact OE1-ND1 3.18Å
571	E	97.8	Very high	97.6	Very high	163 Å²	163	67.6 Å²	67.6	76%	0.762	33%	0.328	S	S	*	.	H	α-helix	trans	-68.8	-47.2	172.9	-174.4	165.2	-154.9	0	0	111.8	T569 I573 H574 Q575	T569-E571 PolarHBondContact O-N 3.35Å; T569-E571 VanDerWaalsContact O-N 3.11Å; E571-I573 VanDerWaalsContact C-N 3.31Å; E571-I573 PolarHBondContact O-N 3.26Å; E571-H574 PolarHBondContact O-N 2.79Å; E571-H574 VanDerWaalsContact O-N 3.09Å; E571-Q575 PolarHBondContact O-N 2.93Å
572	Q	98.1	Very high	97.4	Very high	77 Å²	77	70.5 Å²	70.5	36%	0.36	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-37.5	173	-68.6	161.5	-66.9	0	0	112.1	F568 T569 H574 Q575 I576	F568-Q572 HydrophobicContact CD1-CB 4.03Å; T569-Q572 PolarHBondContact O-N 2.76Å; T569-Q572 WeakPolarHBondContact OG1-CG 3.28Å; T569-Q572 PolarHBondContact OG1-N 2.93Å; T569-Q572 PolarHBondContact OG1-OE1 3.09Å; Q572-H574 VanDerWaalsContact C-N 3.28Å; Q572-H574 PolarHBondContact O-N 2.86Å; Q572-Q575 WeakPolarHBondContact O-CB 3.39Å; Q572-Q575 PolarHBondContact O-N 3.47Å; Q572-I576 WeakPolarHBondContact O-CG1 3.2Å; Q572-I576 PolarHBondContact O-N 2.79Å
573	I	98	Very high	97.3	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.5	-33.1	173.8	-66	170.5	0	0	0	111.2	W559 T560 A563 R564 F568 T569 E571 R577	W559-I573 HydrophobicContact CH2-CG2 3.91Å; W559-I573 WeakPolarHBondContact CH2-O 3.4Å; W559-I573 HydrophobicContact CZ3-CB 4.44Å; W559-I573 HydrophobicContact CZ3-CG2 3.9Å; T560-I573 HydrophobicContact CG2-CG2 4.3Å; A563-I573 HydrophobicContact CB-CD1 3.66Å; A563-I573 HydrophobicContact CB-CG1 3.67Å; R564-I573 HydrophobicContact CG-CD1 3.53Å; F568-I573 HydrophobicContact CB-CD1 4.43Å; F568-I573 HydrophobicContact CB-CG1 4.18Å; T569-I573 WeakPolarHBondContact O-CG1 3.29Å; T569-I573 PolarHBondContact O-N 2.78Å; E571-I573 VanDerWaalsContact C-N 3.31Å; E571-I573 PolarHBondContact O-N 3.26Å; I573-R577 WeakPolarHBondContact O-CB 3.2Å; I573-R577 PolarHBondContact O-N 3.42Å
574	H	98.2	Very high	97.3	Very high	88 Å²	88	74.5 Å²	74.5	41%	0.407	37%	0.37	S	S	.	.	H	α-helix	trans	-74.1	-36.7	171.4	-79.1	78.2	0	0	0	112.2	E570 E571 Q572 R577 I578	E570-H574 PolarHBondContact O-N 3.38Å; E570-H574 PolarHBondContact O-ND1 3.04Å; E570-H574 IonicContact OE1-CE1 3.24Å; E570-H574 PolarHBondContact OE1-CE1 2.89Å; E570-H574 VanDerWaalsContact OE1-CE1 3.31Å; E570-H574 IonicContact OE1-ND1 3.18Å; E571-H574 PolarHBondContact O-N 2.79Å; E571-H574 VanDerWaalsContact O-N 3.09Å; Q572-H574 VanDerWaalsContact C-N 3.28Å; Q572-H574 PolarHBondContact O-N 2.86Å; H574-R577 PolarHBondContact NE2-NH1 3.14Å; H574-R577 PolarHBondContact O-N 3.27Å; H574-I578 PolarHBondContact O-N 3.05Å
575	Q	98.4	Very high	97.3	Very high	90 Å²	90	73.4 Å²	73.4	42%	0.421	37%	0.37	S	S	.	.	H	α-helix	trans	-59.1	-55.1	176.6	-170.5	61.3	26.9	0	0	111.6	E571 Q572 R577 I578 E579	E571-Q575 PolarHBondContact O-N 2.93Å; Q572-Q575 WeakPolarHBondContact O-CB 3.39Å; Q572-Q575 PolarHBondContact O-N 3.47Å; Q575-R577 PolarHBondContact O-N 2.98Å; Q575-R577 VanDerWaalsContact O-N 3.11Å; Q575-I578 WeakPolarHBondContact O-CG1 3.33Å; Q575-I578 PolarHBondContact O-N 3.4Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.46Å; Q575-E579 PolarHBondContact NE2-OE1 3.3Å; Q575-E579 WeakPolarHBondContact O-CG 3.16Å; Q575-E579 PolarHBondContact O-N 2.85Å
576	I	98.1	Very high	97.3	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-52	-39.5	176.1	-68.7	162.5	0	0	0	111.4	W559 Q572 N580 Q587 A590 L591 Y594	W559-I576 HydrophobicContact CE3-CG2 4.45Å; W559-I576 HydrophobicContact CH2-CB 3.99Å; W559-I576 HydrophobicContact CH2-CG2 3.69Å; W559-I576 HydrophobicContact CZ2-CG2 4.35Å; W559-I576 HydrophobicContact CZ3-CB 4.09Å; W559-I576 HydrophobicContact CZ3-CD1 4.26Å; W559-I576 HydrophobicContact CZ3-CG2 3.76Å; Q572-I576 WeakPolarHBondContact O-CG1 3.2Å; Q572-I576 PolarHBondContact O-N 2.79Å; I576-N580 WeakPolarHBondContact O-CB 3.16Å; I576-N580 PolarHBondContact O-N 3Å; I576-N580 VanDerWaalsContact O-N 3.08Å; I576-N580 PolarHBondContact O-ND2 2.8Å; I576-Q587 HydrophobicContact CG2-CB 4.12Å; I576-Q587 HydrophobicContact CG2-CG 4.37Å; I576-Q587 WeakPolarHBondContact CG2-O 3.44Å; I576-A590 HydrophobicContact CG2-CB 4.16Å; I576-L591 HydrophobicContact CD1-CB 4.38Å; I576-L591 HydrophobicContact CD1-CD1 4.12Å; I576-Y594 HydrophobicContact CD1-CD2 4.07Å; I576-Y594 HydrophobicContact CG1-CD2 3.8Å; I576-Y594 HydrophobicContact CG1-CE2 3.9Å
577	R	98.1	Very high	97.4	Very high	79 Å²	79	73.9 Å²	73.9	30%	0.298	37%	0.374	S	S	.	.	H	α-helix	trans	-73.9	-30.4	-179.1	-167.1	-175.5	-61.7	133.6	7	113.8	W559 I573 H574 Q575 P581	W559-R577 HydrophobicContact CH2-CB 4.24Å; W559-R577 HydrophobicContact CZ2-CB 4.2Å; I573-R577 WeakPolarHBondContact O-CB 3.2Å; I573-R577 PolarHBondContact O-N 3.42Å; H574-R577 PolarHBondContact NE2-NH1 3.14Å; H574-R577 PolarHBondContact O-N 3.27Å; Q575-R577 PolarHBondContact O-N 2.98Å; Q575-R577 VanDerWaalsContact O-N 3.11Å; R577-P581 VanDerWaalsContact O-CA 3.31Å; R577-P581 WeakPolarHBondContact O-CA 3.16Å
578	I	97.8	Very high	97.4	Very high	119 Å²	119	67.1 Å²	67.1	61%	0.61	34%	0.338	S	S	*	.	H	α-helix	trans	-85.7	-24.8	176.6	64	171.1	0	0	0	112.8	H574 Q575	H574-I578 PolarHBondContact O-N 3.05Å; Q575-I578 WeakPolarHBondContact O-CG1 3.33Å; Q575-I578 PolarHBondContact O-N 3.4Å
579	E	97	Very high	97.4	Very high	80 Å²	80	69.7 Å²	69.7	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-72.3	-40.2	171.5	-72	164.1	163.5	0	0	111.4	Q575 P581	Q575-E579 WeakPolarHBondContact CG-OE1 3.46Å; Q575-E579 PolarHBondContact NE2-OE1 3.3Å; Q575-E579 WeakPolarHBondContact O-CG 3.16Å; Q575-E579 PolarHBondContact O-N 2.85Å; E579-P581 WeakPolarHBondContact O-CD 3.46Å
580	N	96.1	Very high	97.3	Very high	37 Å²	37	66.9 Å²	66.9	20%	0.198	33%	0.334	C	S	.	.	S	Bend	trans	-116.7	51.4	-174	-57.4	-77.7	0	0	0	112.7	I576 N582 D586 Q587	I576-N580 WeakPolarHBondContact O-CB 3.16Å; I576-N580 PolarHBondContact O-N 3Å; I576-N580 VanDerWaalsContact O-N 3.08Å; I576-N580 PolarHBondContact O-ND2 2.8Å; N580-N582 VanDerWaalsContact C-N 3.29Å; N580-N582 PolarHBondContact O-N 3.42Å; N580-N582 VanDerWaalsContact O-N 3.15Å; N580-D586 HydrophobicContact CB-CB 3.9Å; N580-Q587 HydrophobicContact CB-CG 3.72Å; N580-Q587 WeakPolarHBondContact O-CG 3.42Å; N580-Q587 PolarHBondContact O-NE2 3.05Å
581	P	95.3	Very high	97.3	Very high	82 Å²	82	62.9 Å²	62.9	53%	0.532	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.4	-161	29.1	-37.7	0	0	0	115.3	R577 E579	R577-P581 VanDerWaalsContact O-CA 3.31Å; R577-P581 WeakPolarHBondContact O-CA 3.16Å; E579-P581 WeakPolarHBondContact O-CD 3.46Å
582	N	93.9	Very high	97.3	Very high	162 Å²	162	55.2 Å²	55.2	87%	0.866	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-13.1	-169.4	-61.5	-37.8	0	0	0	114.1	N580	N580-N582 VanDerWaalsContact C-N 3.29Å; N580-N582 PolarHBondContact O-N 3.42Å; N580-N582 VanDerWaalsContact O-N 3.15Å
583	S	96.6	Very high	97.1	Very high	27 Å²	27	55.6 Å²	55.6	19%	0.189	28%	0.28	C	S	.	.			trans	-139	130	-170.2	176.4	0	0	0	0	111.2	Q585 D586 Q587	S583-Q585 VanDerWaalsContact C-N 3.31Å; S583-Q585 PolarHBondContact OG-N 3.27Å; S583-D586 WeakPolarHBondContact CB-OD1 3.39Å; S583-D586 VanDerWaalsContact CB-OD2 3.31Å; S583-D586 WeakPolarHBondContact CB-OD2 3.5Å; S583-D586 PolarHBondContact OG-N 3.28Å; S583-D586 VanDerWaalsContact OG-N 3.17Å; S583-D586 PolarHBondContact OG-OD1 3.5Å; S583-Q587 VanDerWaalsContact O-CD 3.3Å; S583-Q587 WeakPolarHBondContact O-CG 3.43Å; S583-Q587 PolarHBondContact O-N 2.98Å; S583-Q587 PolarHBondContact O-NE2 2.87Å; S583-Q587 VanDerWaalsContact O-NE2 3.17Å
584	L	97.6	Very high	97.1	Very high	57 Å²	57	59.9 Å²	59.9	30%	0.298	30%	0.297	S	S	.	.	H	α-helix	trans	-76.2	-24.3	172.9	-69.7	166.7	0	0	0	112	F557 S588	F557-L584 HydrophobicContact CD1-CD1 3.75Å; F557-L584 HydrophobicContact CD1-CD2 4.14Å; F557-L584 HydrophobicContact CD2-CD1 4.01Å; F557-L584 HydrophobicContact CE1-CD1 3.47Å; F557-L584 VanDerWaalsContact CE1-CD1 3.47Å; F557-L584 HydrophobicContact CE1-CD2 4.31Å; F557-L584 HydrophobicContact CE2-CD1 3.73Å; F557-L584 HydrophobicContact CG-CD1 4.02Å; F557-L584 HydrophobicContact CZ-CD1 3.46Å; F557-L584 VanDerWaalsContact CZ-CD1 3.46Å; L584-S588 PolarHBondContact O-N 2.69Å; L584-S588 PolarHBondContact O-OG 2.73Å
585	Q	97.1	Very high	97	Very high	92 Å²	92	55.8 Å²	55.8	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-69.7	-49.9	176.2	-175.8	176.2	7	0	0	109.3	D553 S583 Q587 S588 H589	D553-Q585 WeakPolarHBondContact OD1-CG 3.28Å; D553-Q585 PolarHBondContact OD1-NE2 3.03Å; S583-Q585 VanDerWaalsContact C-N 3.31Å; S583-Q585 PolarHBondContact OG-N 3.27Å; Q585-Q587 PolarHBondContact O-N 3.49Å; Q585-S588 WeakPolarHBondContact CA-OG 3.46Å; Q585-S588 PolarHBondContact O-N 2.8Å; Q585-S588 PolarHBondContact O-OG 3.01Å; Q585-H589 WeakPolarHBondContact O-CB 3.38Å; Q585-H589 PolarHBondContact O-CD2 3.08Å; Q585-H589 PolarHBondContact O-N 3.46Å
586	D	97.3	Very high	96.7	Very high	75 Å²	75	52.4 Å²	52.4	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-35.9	177.3	-49.6	14.9	0	0	0	110.7	N580 S583 A590	N580-D586 HydrophobicContact CB-CB 3.9Å; S583-D586 WeakPolarHBondContact CB-OD1 3.39Å; S583-D586 VanDerWaalsContact CB-OD2 3.31Å; S583-D586 WeakPolarHBondContact CB-OD2 3.5Å; S583-D586 PolarHBondContact OG-N 3.28Å; S583-D586 VanDerWaalsContact OG-N 3.17Å; S583-D586 PolarHBondContact OG-OD1 3.5Å; D586-A590 WeakPolarHBondContact O-CB 3.22Å; D586-A590 PolarHBondContact O-N 2.88Å
587	Q	98.3	Very high	96.5	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-39	173.3	-70	164.3	33.5	0	0	113.2	W559 I576 N580 S583 Q585 L591	W559-Q587 HydrophobicContact CD2-CB 4.1Å; W559-Q587 VanDerWaalsContact CE2-OE1 3.23Å; W559-Q587 HydrophobicContact CG-CB 4.36Å; W559-Q587 HydrophobicContact CZ2-CB 3.79Å; W559-Q587 HydrophobicContact CZ2-CG 3.98Å; I576-Q587 HydrophobicContact CG2-CB 4.12Å; I576-Q587 HydrophobicContact CG2-CG 4.37Å; I576-Q587 WeakPolarHBondContact CG2-O 3.44Å; N580-Q587 HydrophobicContact CB-CG 3.72Å; N580-Q587 WeakPolarHBondContact O-CG 3.42Å; N580-Q587 PolarHBondContact O-NE2 3.05Å; S583-Q587 VanDerWaalsContact O-CD 3.3Å; S583-Q587 WeakPolarHBondContact O-CG 3.43Å; S583-Q587 PolarHBondContact O-N 2.98Å; S583-Q587 PolarHBondContact O-NE2 2.87Å; S583-Q587 VanDerWaalsContact O-NE2 3.17Å; Q585-Q587 PolarHBondContact O-N 3.49Å; Q587-L591 WeakPolarHBondContact O-CB 3.49Å; Q587-L591 PolarHBondContact O-N 3.05Å; Q587-L591 VanDerWaalsContact O-N 3.09Å
588	S	98.1	Very high	96.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-74.8	-36.4	175.4	45.6	0	0	0	0	112.7	A552 L584 Q585 L591 L592	A552-S588 WeakPolarHBondContact O-CB 3.34Å; A552-S588 PolarHBondContact O-OG 3.31Å; L584-S588 PolarHBondContact O-N 2.69Å; L584-S588 PolarHBondContact O-OG 2.73Å; Q585-S588 WeakPolarHBondContact CA-OG 3.46Å; Q585-S588 PolarHBondContact O-N 2.8Å; Q585-S588 PolarHBondContact O-OG 3.01Å; S588-L591 PolarHBondContact O-N 3.33Å; S588-L592 WeakPolarHBondContact O-CG 3.44Å; S588-L592 PolarHBondContact O-N 3.26Å
589	H	97	Very high	96	Very high	65 Å²	65	55.5 Å²	55.5	30%	0.301	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-52.3	172.5	-85.7	-117.8	0	0	0	110.3	A549 A552 D553 Q585 L591 L592 K593	A549-H589 VanDerWaalsContact CA-CE1 3.46Å; A549-H589 WeakPolarHBondContact CA-CE1 3.43Å; A549-H589 WeakPolarHBondContact CB-CE1 3.23Å; A549-H589 PolarHBondContact O-NE2 2.99Å; A552-H589 HydrophobicContact CB-CB 4.35Å; A552-H589 WeakPolarHBondContact CB-CD2 3.46Å; D553-H589 IonicContact OD1-CD2 3.69Å; D553-H589 IonicContact OD1-CE1 2.71Å; D553-H589 IonicContact OD1-NE2 3.78Å; D553-H589 PolarHBondContact OD1-NE2 2.81Å; Q585-H589 WeakPolarHBondContact O-CB 3.38Å; Q585-H589 PolarHBondContact O-CD2 3.08Å; Q585-H589 PolarHBondContact O-N 3.46Å; H589-L591 VanDerWaalsContact C-N 3.3Å; H589-L591 PolarHBondContact O-N 3.14Å; H589-L592 PolarHBondContact O-N 3.16Å; H589-K593 WeakPolarHBondContact O-CB 3.32Å; H589-K593 PolarHBondContact O-N 3.24Å
590	A	97.4	Very high	95.6	Very high	14 Å²	14	53.2 Å²	53.2	12%	0.116	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-37.6	177.2	0	0	0	0	0	112.5	I576 D586 Y594	I576-A590 HydrophobicContact CG2-CB 4.16Å; D586-A590 WeakPolarHBondContact O-CB 3.22Å; D586-A590 PolarHBondContact O-N 2.88Å; A590-Y594 HydrophobicContact CB-CE2 4.36Å; A590-Y594 WeakPolarHBondContact O-CB 3.43Å; A590-Y594 WeakPolarHBondContact O-CD2 3.39Å; A590-Y594 VanDerWaalsContact O-CG 3.31Å; A590-Y594 PolarHBondContact O-N 3.03Å
591	L	98	Very high	95	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-53	172.7	174.5	66.9	0	0	0	112.1	L555 W559 L562 A563 F568 I576 Q587 S588 H589 K593 Y594 W595	L555-L591 HydrophobicContact CD2-CD2 4.35Å; W559-L591 HydrophobicContact CB-CD2 4.17Å; W559-L591 HydrophobicContact CE3-CB 4.47Å; W559-L591 HydrophobicContact CE3-CD2 4.29Å; W559-L591 VanDerWaalsContact O-CD2 3.28Å; W559-L591 WeakPolarHBondContact O-CD2 3.21Å; L562-L591 HydrophobicContact CB-CD2 4.24Å; L562-L591 HydrophobicContact CD2-CD2 4.25Å; L562-L591 HydrophobicContact CG-CD2 4.43Å; A563-L591 HydrophobicContact CB-CD1 3.51Å; A563-L591 HydrophobicContact CB-CD2 3.86Å; A563-L591 HydrophobicContact CB-CG 4.33Å; F568-L591 HydrophobicContact CD1-CD1 4.19Å; F568-L591 HydrophobicContact CD2-CD1 3.84Å; F568-L591 HydrophobicContact CE1-CD1 4.1Å; F568-L591 HydrophobicContact CE2-CD1 3.75Å; F568-L591 HydrophobicContact CG-CD1 4.07Å; F568-L591 HydrophobicContact CZ-CD1 3.88Å; I576-L591 HydrophobicContact CD1-CB 4.38Å; I576-L591 HydrophobicContact CD1-CD1 4.12Å; Q587-L591 WeakPolarHBondContact O-CB 3.49Å; Q587-L591 PolarHBondContact O-N 3.05Å; Q587-L591 VanDerWaalsContact O-N 3.09Å; S588-L591 PolarHBondContact O-N 3.33Å; H589-L591 VanDerWaalsContact C-N 3.3Å; H589-L591 PolarHBondContact O-N 3.14Å; L591-K593 VanDerWaalsContact C-N 3.3Å; L591-K593 PolarHBondContact O-N 3.31Å; L591-Y594 PolarHBondContact O-N 3.05Å; L591-W595 WeakPolarHBondContact O-CB 3.44Å; L591-W595 PolarHBondContact O-N 3.27Å
592	L	96.5	Very high	94.5	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-33.5	-176.6	-66.7	-176.7	0	0	0	111.6	L548 I551 A552 L562 S588 H589 W595 L596 L608	L548-L592 HydrophobicContact CB-CB 4.29Å; L548-L592 HydrophobicContact CB-CD1 4.26Å; L548-L592 HydrophobicContact CD2-CB 4.35Å; L548-L592 HydrophobicContact CD2-CD1 4.04Å; L548-L592 WeakPolarHBondContact O-CD1 3.41Å; I551-L592 HydrophobicContact CB-CD1 4.13Å; I551-L592 HydrophobicContact CG2-CD1 3.85Å; A552-L592 HydrophobicContact CB-CD1 3.96Å; L562-L592 HydrophobicContact CD2-CD2 3.89Å; S588-L592 WeakPolarHBondContact O-CG 3.44Å; S588-L592 PolarHBondContact O-N 3.26Å; H589-L592 PolarHBondContact O-N 3.16Å; L592-W595 HydrophobicContact CD2-CE3 4.4Å; L592-W595 PolarHBondContact O-N 2.9Å; L592-L596 VanDerWaalsContact O-CB 3.32Å; L592-L596 WeakPolarHBondContact O-CB 3.49Å; L592-L596 PolarHBondContact O-N 3.07Å; L592-L608 HydrophobicContact CD2-CD1 4Å
593	K	95.3	Very high	94.3	Very high	85 Å²	85	55.6 Å²	55.6	37%	0.37	27%	0.27	S	S	.	.	H	α-helix	trans	-63.3	-51.7	171.3	-167.4	-178.8	-173.2	84.5	0	111.8	E545 H589 L591 W595 L596 E597	E545-K593 IonicContact OE1-NZ 3.81Å; E545-K593 PolarHBondContact OE1-NZ 3.34Å; E545-K593 IonicContact OE2-NZ 3.66Å; H589-K593 WeakPolarHBondContact O-CB 3.32Å; H589-K593 PolarHBondContact O-N 3.24Å; L591-K593 VanDerWaalsContact C-N 3.3Å; L591-K593 PolarHBondContact O-N 3.31Å; K593-W595 PolarHBondContact O-N 3.48Å; K593-L596 WeakPolarHBondContact O-CB 3.38Å; K593-L596 PolarHBondContact O-N 2.99Å; K593-E597 VanDerWaalsContact CE-OE1 3.26Å; K593-E597 WeakPolarHBondContact CE-OE1 3.35Å; K593-E597 WeakPolarHBondContact O-CB 3.45Å; K593-E597 WeakPolarHBondContact O-CG 3.49Å; K593-E597 PolarHBondContact O-N 3.08Å
594	Y	96.1	Very high	94	Very high	90 Å²	90	57.3 Å²	57.3	35%	0.353	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-26.3	176.7	-68.8	-39.9	0	0	0	113.1	I576 A590 L591 R598	I576-Y594 HydrophobicContact CD1-CD2 4.07Å; I576-Y594 HydrophobicContact CG1-CD2 3.8Å; I576-Y594 HydrophobicContact CG1-CE2 3.9Å; A590-Y594 HydrophobicContact CB-CE2 4.36Å; A590-Y594 WeakPolarHBondContact O-CB 3.43Å; A590-Y594 WeakPolarHBondContact O-CD2 3.39Å; A590-Y594 VanDerWaalsContact O-CG 3.31Å; A590-Y594 PolarHBondContact O-N 3.03Å; L591-Y594 PolarHBondContact O-N 3.05Å; Y594-R598 WeakPolarHBondContact O-CB 3.32Å; Y594-R598 PolarHBondContact O-N 2.99Å
595	W	96.6	Very high	93.7	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-47.4	172.5	171.1	63	0	0	0	111.2	L548 L566 F568 L591 L592 K593 E597 R598 D599 A603 N607 L608	L548-W595 HydrophobicContact CD1-CZ3 4.48Å; L548-W595 HydrophobicContact CD2-CE3 4.45Å; L548-W595 HydrophobicContact CD2-CZ3 3.94Å; L566-W595 HydrophobicContact CD1-CB 4.32Å; L566-W595 HydrophobicContact CD1-CD2 4.27Å; L566-W595 HydrophobicContact CD1-CG 3.9Å; F568-W595 HydrophobicContact CE2-CB 4Å; F568-W595 HydrophobicContact CZ-CB 4Å; L591-W595 WeakPolarHBondContact O-CB 3.44Å; L591-W595 PolarHBondContact O-N 3.27Å; L592-W595 HydrophobicContact CD2-CE3 4.4Å; L592-W595 PolarHBondContact O-N 2.9Å; K593-W595 PolarHBondContact O-N 3.48Å; W595-E597 PolarHBondContact O-N 3.11Å; W595-R598 PolarHBondContact O-N 2.87Å; W595-D599 PolarHBondContact NE1-OD2 3.09Å; W595-D599 PolarHBondContact O-N 3.03Å; W595-A603 HydrophobicContact CD2-CB 4.03Å; W595-A603 HydrophobicContact CE3-CB 4.03Å; W595-A603 HydrophobicContact CH2-CB 3.75Å; W595-A603 HydrophobicContact CZ2-CB 3.74Å; W595-A603 HydrophobicContact CZ3-CB 3.88Å; W595-N607 HydrophobicContact CZ2-CB 4.42Å; W595-L608 HydrophobicContact CH2-CB 3.75Å; W595-L608 HydrophobicContact CH2-CD2 4.25Å; W595-L608 HydrophobicContact CH2-CG 4.48Å; W595-L608 HydrophobicContact CZ2-CB 4.27Å; W595-L608 HydrophobicContact CZ3-CB 4.33Å; W595-L608 HydrophobicContact CZ3-CD2 4.01Å
596	L	93.4	Very high	93.6	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.094	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-43.5	175.3	-172.6	62.7	0	0	0	111.8	Q541 I544 L548 L592 K593 G600 A603	Q541-L596 VanDerWaalsContact NE2-CD2 3.32Å; I544-L596 HydrophobicContact CG2-CD1 3.96Å; I544-L596 HydrophobicContact CG2-CD2 4.17Å; L548-L596 HydrophobicContact CD1-CB 4.28Å; L548-L596 HydrophobicContact CD1-CD1 4.21Å; L548-L596 HydrophobicContact CD1-CD2 3.68Å; L548-L596 HydrophobicContact CD1-CG 4.29Å; L592-L596 VanDerWaalsContact O-CB 3.32Å; L592-L596 WeakPolarHBondContact O-CB 3.49Å; L592-L596 PolarHBondContact O-N 3.07Å; K593-L596 WeakPolarHBondContact O-CB 3.38Å; K593-L596 PolarHBondContact O-N 2.99Å; L596-G600 WeakPolarHBondContact O-CA 3.38Å; L596-G600 PolarHBondContact O-N 2.74Å; L596-A603 HydrophobicContact CD1-CB 3.92Å
597	E	93.4	Very high	93.5	Very high	124 Å²	124	57.3 Å²	57.3	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-66.2	-35.4	175.3	-71.9	174.8	-171.7	0	0	113.1	K593 W595	K593-E597 VanDerWaalsContact CE-OE1 3.26Å; K593-E597 WeakPolarHBondContact CE-OE1 3.35Å; K593-E597 WeakPolarHBondContact O-CB 3.45Å; K593-E597 WeakPolarHBondContact O-CG 3.49Å; K593-E597 PolarHBondContact O-N 3.08Å; W595-E597 PolarHBondContact O-N 3.11Å
598	R	94.1	Very high	93.3	Very high	101 Å²	101	56.8 Å²	56.8	38%	0.381	28%	0.284	S	S	.	.	H	α-helix	trans	-77.7	-47.6	-178.2	-173.5	-165.8	75.6	-173.1	-0.6	112.7	L566 Y594 W595	L566-R598 VanDerWaalsContact O-CZ 3.23Å; L566-R598 PolarHBondContact O-NH1 3.09Å; L566-R598 PolarHBondContact O-NH2 3.01Å; Y594-R598 WeakPolarHBondContact O-CB 3.32Å; Y594-R598 PolarHBondContact O-N 2.99Å; W595-R598 PolarHBondContact O-N 2.87Å
599	D	91.3	Very high	93.2	Very high	40 Å²	40	58.4 Å²	58.4	21%	0.214	29%	0.294	C	S	.	.	H	α-helix	trans	-96.3	-25.2	-172	-67.4	-7.9	0	0	0	111.8	W595 K601 H602 A603	W595-D599 PolarHBondContact NE1-OD2 3.09Å; W595-D599 PolarHBondContact O-N 3.03Å; D599-K601 PolarHBondContact O-N 2.82Å; D599-H602 HydrophobicContact CB-CB 4.36Å; D599-H602 WeakPolarHBondContact O-CB 3.15Å; D599-H602 PolarHBondContact O-N 2.98Å; D599-H602 PolarHBondContact O-ND1 2.93Å; D599-A603 HydrophobicContact CB-CB 4.01Å
600	G	88.4	Confident	93.2	Very high	33 Å²	33	60.3 Å²	60.3	34%	0.34	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	56.1	-122.4	174.7	0	0	0	0	0	112	L596 H602 A603	L596-G600 WeakPolarHBondContact O-CA 3.38Å; L596-G600 PolarHBondContact O-N 2.74Å; G600-H602 PolarHBondContact O-N 3.49Å; G600-A603 WeakPolarHBondContact O-CA 3.49Å; G600-A603 WeakPolarHBondContact O-CB 3.47Å; G600-A603 PolarHBondContact O-N 3.37Å
601	K	83.5	Confident	93.2	Very high	189 Å²	189	59.7 Å²	59.7	82%	0.822	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56.9	-1.4	170.8	60.3	-175.7	169.7	-174.8	0	116.7	D599	D599-K601 PolarHBondContact O-N 2.82Å
602	H	84.6	Confident	93.2	Very high	128 Å²	128	59.7 Å²	59.7	59%	0.593	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-105.8	-11.5	168.7	-42.9	93.2	0	0	0	112.9	D599 G600 T604	D599-H602 HydrophobicContact CB-CB 4.36Å; D599-H602 WeakPolarHBondContact O-CB 3.15Å; D599-H602 PolarHBondContact O-N 2.98Å; D599-H602 PolarHBondContact O-ND1 2.93Å; G600-H602 PolarHBondContact O-N 3.49Å; H602-T604 PolarHBondContact O-N 2.91Å; H602-T604 PolarHBondContact O-OG1 3.49Å
603	A	88.8	Confident	93.3	Very high	14 Å²	14	62.3 Å²	62.3	12%	0.116	31%	0.314	C	S	.	.			trans	-71	69.1	173.7	0	0	0	0	0	110.2	W595 L596 D599 G600	W595-A603 HydrophobicContact CD2-CB 4.03Å; W595-A603 HydrophobicContact CE3-CB 4.03Å; W595-A603 HydrophobicContact CH2-CB 3.75Å; W595-A603 HydrophobicContact CZ2-CB 3.74Å; W595-A603 HydrophobicContact CZ3-CB 3.88Å; L596-A603 HydrophobicContact CD1-CB 3.92Å; D599-A603 HydrophobicContact CB-CB 4.01Å; G600-A603 WeakPolarHBondContact O-CA 3.49Å; G600-A603 WeakPolarHBondContact O-CB 3.47Å; G600-A603 PolarHBondContact O-N 3.37Å
604	T	91.1	Very high	93.4	Very high	62 Å²	62	62.4 Å²	62.4	38%	0.38	32%	0.315	S	S	.	.			trans	-99.6	148.1	-172.3	48.1	0	0	0	0	111	H602 T606 N607 L608	H602-T604 PolarHBondContact O-N 2.91Å; H602-T604 PolarHBondContact O-OG1 3.49Å; T604-T606 PolarHBondContact O-N 2.77Å; T604-T606 VanDerWaalsContact O-N 3.11Å; T604-T606 PolarHBondContact OG1-OG1 3.12Å; T604-N607 WeakPolarHBondContact O-CB 3.27Å; T604-N607 PolarHBondContact O-N 2.91Å; T604-L608 PolarHBondContact O-N 3.27Å; T604-L608 VanDerWaalsContact O-N 3.1Å
605	D	92.4	Very high	93.4	Very high	63 Å²	63	59.3 Å²	59.3	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-47.9	-39.5	174.8	-69	-6.8	0	0	0	113.5	R547 N607 L608 V609 M624	R547-D605 IonicContact CZ-OD1 2.98Å; R547-D605 IonicContact CZ-OD2 3.14Å; R547-D605 VanDerWaalsContact CZ-OD2 3.24Å; R547-D605 IonicContact NH1-OD1 3.19Å; R547-D605 PolarHBondContact NH1-OD1 2.82Å; R547-D605 IonicContact NH1-OD2 2.73Å; R547-D605 PolarHBondContact NH1-OD2 2.87Å; R547-D605 IonicContact NH2-OD1 2.67Å; R547-D605 PolarHBondContact NH2-OD1 3.31Å; R547-D605 IonicContact NH2-OD2 3.75Å; R547-D605 PolarHBondContact NH2-OD2 2.93Å; D605-N607 VanDerWaalsContact C-N 3.33Å; D605-N607 PolarHBondContact O-N 3.33Å; D605-L608 PolarHBondContact O-N 2.93Å; D605-V609 VanDerWaalsContact O-CB 3.27Å; D605-V609 WeakPolarHBondContact O-CB 3.47Å; D605-V609 VanDerWaalsContact O-CG2 3.28Å; D605-V609 WeakPolarHBondContact O-CG2 3.33Å; D605-V609 PolarHBondContact O-N 3.49Å; D605-M624 HydrophobicContact CB-CE 4.34Å
606	T	93.8	Very high	93.5	Very high	109 Å²	109	65.7 Å²	65.7	67%	0.669	34%	0.338	S	S	*	.	H	α-helix	trans	-65.7	-36.6	-178.7	55	0	0	0	0	111.9	T604 E610	T604-T606 PolarHBondContact O-N 2.77Å; T604-T606 VanDerWaalsContact O-N 3.11Å; T604-T606 PolarHBondContact OG1-OG1 3.12Å; T606-E610 WeakPolarHBondContact O-CB 3.41Å; T606-E610 PolarHBondContact O-N 3.44Å
607	N	95	Very high	93.7	Very high	52 Å²	52	67 Å²	67	28%	0.278	34%	0.342	S	S	.	.	H	α-helix	trans	-69.2	-45.8	172.8	-178	-92.9	0	0	0	111.1	L566 W595 T604 D605 V609 E610 C611	L566-N607 WeakPolarHBondContact CD2-OD1 3.26Å; W595-N607 HydrophobicContact CZ2-CB 4.42Å; T604-N607 WeakPolarHBondContact O-CB 3.27Å; T604-N607 PolarHBondContact O-N 2.91Å; D605-N607 VanDerWaalsContact C-N 3.33Å; D605-N607 PolarHBondContact O-N 3.33Å; N607-V609 PolarHBondContact O-N 3.45Å; N607-E610 PolarHBondContact O-N 3.46Å; N607-C611 WeakPolarHBondContact O-CB 3.46Å; N607-C611 PolarHBondContact O-N 2.82Å; N607-C611 PolarHBondContact O-SG 3Å
608	L	95.4	Very high	93.8	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-43.5	178.5	-177.2	53.5	0	0	0	111.7	L548 I551 L562 L592 W595 T604 D605 C611 L612 M624	L548-L608 HydrophobicContact CD2-CD2 3.54Å; I551-L608 HydrophobicContact CD1-CD2 4Å; I551-L608 HydrophobicContact CG2-CD2 4.48Å; L562-L608 HydrophobicContact CD1-CD1 4.24Å; L562-L608 HydrophobicContact CD2-CD1 3.86Å; L592-L608 HydrophobicContact CD2-CD1 4Å; W595-L608 HydrophobicContact CH2-CB 3.75Å; W595-L608 HydrophobicContact CH2-CD2 4.25Å; W595-L608 HydrophobicContact CH2-CG 4.48Å; W595-L608 HydrophobicContact CZ2-CB 4.27Å; W595-L608 HydrophobicContact CZ3-CB 4.33Å; W595-L608 HydrophobicContact CZ3-CD2 4.01Å; T604-L608 PolarHBondContact O-N 3.27Å; T604-L608 VanDerWaalsContact O-N 3.1Å; D605-L608 PolarHBondContact O-N 2.93Å; L608-C611 PolarHBondContact O-N 3.12Å; L608-L612 HydrophobicContact CD1-CD1 4.11Å; L608-L612 HydrophobicContact CD1-CG 4.2Å; L608-L612 HydrophobicContact CG-CD1 3.95Å; L608-L612 VanDerWaalsContact O-CB 3.3Å; L608-L612 WeakPolarHBondContact O-CB 3.49Å; L608-L612 WeakPolarHBondContact O-CG 3.36Å; L608-L612 PolarHBondContact O-N 2.68Å; L608-M624 HydrophobicContact CB-CE 4.28Å; L608-M624 HydrophobicContact CD2-CE 3.84Å; L608-M624 HydrophobicContact CD2-SD 4.18Å; L608-M624 HydrophobicContact CG-CE 4.05Å; L608-M624 HydrophobicContact CG-SD 4.12Å
609	V	95.7	Very high	93.9	Very high	35 Å²	35	64.2 Å²	64.2	21%	0.212	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-40.7	173.7	164.4	0	0	0	0	112	D605 N607 T613 V621 M624	D605-V609 VanDerWaalsContact O-CB 3.27Å; D605-V609 WeakPolarHBondContact O-CB 3.47Å; D605-V609 VanDerWaalsContact O-CG2 3.28Å; D605-V609 WeakPolarHBondContact O-CG2 3.33Å; D605-V609 PolarHBondContact O-N 3.49Å; N607-V609 PolarHBondContact O-N 3.45Å; V609-T613 VanDerWaalsContact O-CB 3.25Å; V609-T613 WeakPolarHBondContact O-CB 3.48Å; V609-T613 PolarHBondContact O-N 2.88Å; V609-T613 PolarHBondContact O-OG1 3.13Å; V609-V621 HydrophobicContact CG1-CG1 3.74Å; V609-V621 HydrophobicContact CG1-CG2 4.26Å; V609-V621 HydrophobicContact CG2-CG1 4.43Å; V609-M624 HydrophobicContact CG2-CE 3.83Å; V609-M624 HydrophobicContact CG2-SD 3.89Å
610	E	96.9	Very high	94.1	Very high	104 Å²	104	62.4 Å²	62.4	49%	0.486	33%	0.327	S	S	.	.	H	α-helix	trans	-60.8	-48.2	174.9	-166	-165.3	128.5	0	0	110.6	T606 N607 T613 K614	T606-E610 WeakPolarHBondContact O-CB 3.41Å; T606-E610 PolarHBondContact O-N 3.44Å; N607-E610 PolarHBondContact O-N 3.46Å; E610-T613 WeakPolarHBondContact O-CB 3.2Å; E610-T613 PolarHBondContact O-N 2.84Å; E610-K614 WeakPolarHBondContact O-CG 3.42Å; E610-K614 PolarHBondContact O-N 3.05Å; E610-K614 WeakPolarHBondContact OE1-CE 3.14Å; E610-K614 IonicContact OE1-NZ 2.8Å; E610-K614 PolarHBondContact OE1-NZ 3.16Å
611	C	97.6	Very high	94.5	Very high	2 Å²	2	61 Å²	61	1%	0.014	31%	0.312	C	S	.	.	H	α-helix	trans	-68.8	-41	-178.2	-63.5	0	0	0	0	112.3	L562 E565 L566 N607 L608 T613 K614 I615	L562-C611 HydrophobicContact CD1-CB 3.73Å; E565-C611 HydrophobicContact CB-CB 4.31Å; E565-C611 HydrophobicContact CG-CB 3.8Å; L566-C611 HydrophobicContact CD2-CB 3.96Å; L566-C611 HydrophobicContact CG-CB 4.45Å; N607-C611 WeakPolarHBondContact O-CB 3.46Å; N607-C611 PolarHBondContact O-N 2.82Å; N607-C611 PolarHBondContact O-SG 3Å; L608-C611 PolarHBondContact O-N 3.12Å; C611-T613 VanDerWaalsContact C-N 3.32Å; C611-T613 PolarHBondContact O-N 2.9Å; C611-K614 PolarHBondContact O-N 3.24Å; C611-I615 PolarHBondContact O-N 2.84Å; C611-I615 VanDerWaalsContact O-N 3.16Å
612	L	97.6	Very high	95	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-40	170.5	-74.2	168	0	0	0	112.1	L555 L562 L608 I615 N616 R617 I620 V621 M624	L555-L612 HydrophobicContact CD1-CD2 3.93Å; L562-L612 HydrophobicContact CD1-CD2 4.11Å; L562-L612 HydrophobicContact CD1-CG 4.13Å; L562-L612 HydrophobicContact CD2-CD2 4.36Å; L608-L612 HydrophobicContact CD1-CD1 4.11Å; L608-L612 HydrophobicContact CD1-CG 4.2Å; L608-L612 HydrophobicContact CG-CD1 3.95Å; L608-L612 VanDerWaalsContact O-CB 3.3Å; L608-L612 WeakPolarHBondContact O-CB 3.49Å; L608-L612 WeakPolarHBondContact O-CG 3.36Å; L608-L612 PolarHBondContact O-N 2.68Å; L612-I615 HydrophobicContact CD2-CD1 4.36Å; L612-I615 WeakPolarHBondContact O-CG1 3.38Å; L612-I615 PolarHBondContact O-N 2.73Å; L612-N616 PolarHBondContact O-N 3.02Å; L612-R617 HydrophobicContact CD2-CB 4.11Å; L612-R617 PolarHBondContact O-N 3.45Å; L612-I620 HydrophobicContact CD1-CB 4.16Å; L612-I620 HydrophobicContact CD1-CG2 3.59Å; L612-I620 HydrophobicContact CD2-CB 4.13Å; L612-I620 HydrophobicContact CD2-CD1 3.97Å; L612-I620 HydrophobicContact CD2-CG2 4.04Å; L612-I620 HydrophobicContact CG-CG2 4.46Å; L612-V621 HydrophobicContact CB-CG2 3.75Å; L612-M624 HydrophobicContact CD1-SD 3.5Å; L612-M624 VanDerWaalsContact CD1-SD 3.5Å
613	T	97.4	Very high	95.4	Very high	57 Å²	57	52.2 Å²	52.2	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.2	-63	0	0	0	0	111.5	V609 E610 C611 I615 N616 M618	V609-T613 VanDerWaalsContact O-CB 3.25Å; V609-T613 WeakPolarHBondContact O-CB 3.48Å; V609-T613 PolarHBondContact O-N 2.88Å; V609-T613 PolarHBondContact O-OG1 3.13Å; E610-T613 WeakPolarHBondContact O-CB 3.2Å; E610-T613 PolarHBondContact O-N 2.84Å; C611-T613 VanDerWaalsContact C-N 3.32Å; C611-T613 PolarHBondContact O-N 2.9Å; T613-I615 PolarHBondContact O-N 2.71Å; T613-N616 WeakPolarHBondContact O-CA 3.36Å; T613-N616 PolarHBondContact O-N 3.29Å; T613-M618 HydrophobicContact CG2-CE 3.85Å
614	K	97.9	Very high	95.5	Very high	87 Å²	87	51.8 Å²	51.8	38%	0.378	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-38.5	178.7	-68.9	169.6	-171	156.4	0	113	E565 E610 C611 N616	E565-K614 HydrophobicContact CG-CB 4.18Å; E565-K614 HydrophobicContact CG-CD 3.62Å; E565-K614 WeakPolarHBondContact OE1-CD 3.39Å; E565-K614 VanDerWaalsContact OE1-CE 3.3Å; E565-K614 WeakPolarHBondContact OE1-CE 3.47Å; E565-K614 IonicContact OE1-NZ 3.22Å; E565-K614 PolarHBondContact OE1-NZ 3.43Å; E610-K614 WeakPolarHBondContact O-CG 3.42Å; E610-K614 PolarHBondContact O-N 3.05Å; E610-K614 WeakPolarHBondContact OE1-CE 3.14Å; E610-K614 IonicContact OE1-NZ 2.8Å; E610-K614 PolarHBondContact OE1-NZ 3.16Å; C611-K614 PolarHBondContact O-N 3.24Å; K614-N616 PolarHBondContact O-N 3.34Å; K614-N616 PolarHBondContact O-ND2 2.83Å; K614-N616 VanDerWaalsContact O-ND2 3.15Å
615	I	97.6	Very high	95.3	Very high	24 Å²	24	53.4 Å²	53.4	12%	0.123	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	9	172.4	71.1	174.6	0	0	0	113	E561 L562 E565 C611 L612 T613 R617	E561-I615 HydrophobicContact CB-CB 4.38Å; E561-I615 HydrophobicContact CB-CG2 3.96Å; L562-I615 HydrophobicContact CB-CD1 3.77Å; L562-I615 HydrophobicContact CD1-CD1 4.09Å; E565-I615 HydrophobicContact CB-CG2 4.35Å; C611-I615 PolarHBondContact O-N 2.84Å; C611-I615 VanDerWaalsContact O-N 3.16Å; L612-I615 HydrophobicContact CD2-CD1 4.36Å; L612-I615 WeakPolarHBondContact O-CG1 3.38Å; L612-I615 PolarHBondContact O-N 2.73Å; T613-I615 PolarHBondContact O-N 2.71Å; I615-R617 VanDerWaalsContact C-N 3.26Å; I615-R617 HydrophobicContact CD1-CG 4.02Å; I615-R617 HydrophobicContact CG1-CB 4.2Å; I615-R617 HydrophobicContact CG1-CG 3.94Å; I615-R617 PolarHBondContact O-N 2.84Å
616	N	97.1	Very high	94.9	Very high	136 Å²	136	55.6 Å²	55.6	73%	0.727	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	20.8	176.1	-51.9	-94.3	0	0	0	115	L612 T613 K614 M618	L612-N616 PolarHBondContact O-N 3.02Å; T613-N616 WeakPolarHBondContact O-CA 3.36Å; T613-N616 PolarHBondContact O-N 3.29Å; K614-N616 PolarHBondContact O-N 3.34Å; K614-N616 PolarHBondContact O-ND2 2.83Å; K614-N616 VanDerWaalsContact O-ND2 3.15Å; N616-M618 PolarHBondContact O-N 3.17Å
617	R	97.4	Very high	93.5	Very high	45 Å²	45	53.5 Å²	53.5	17%	0.17	27%	0.274	C	S	.	.			trans	-85.7	55.5	174.9	-67.7	-57.1	-57.7	-81.4	0.2	112.2	H554 L555 S558 L612 I615 D619 I620 V621	H554-R617 PolarHBondContact O-NH1 3.17Å; H554-R617 PolarHBondContact O-NH2 3.34Å; L555-R617 PolarHBondContact O-NH1 3.28Å; S558-R617 WeakPolarHBondContact OG-CD 3.28Å; S558-R617 PolarHBondContact OG-NH1 2.61Å; L612-R617 HydrophobicContact CD2-CB 4.11Å; L612-R617 PolarHBondContact O-N 3.45Å; I615-R617 VanDerWaalsContact C-N 3.26Å; I615-R617 HydrophobicContact CD1-CG 4.02Å; I615-R617 HydrophobicContact CG1-CB 4.2Å; I615-R617 HydrophobicContact CG1-CG 3.94Å; I615-R617 PolarHBondContact O-N 2.84Å; R617-D619 VanDerWaalsContact CA-OD1 3.22Å; R617-D619 WeakPolarHBondContact CA-OD1 3.24Å; R617-D619 IonicContact CZ-OD1 3.35Å; R617-D619 IonicContact CZ-OD2 3.91Å; R617-D619 IonicContact NE-OD1 2.95Å; R617-D619 PolarHBondContact NE-OD1 3.15Å; R617-D619 IonicContact NE-OD2 2.71Å; R617-D619 PolarHBondContact NE-OD2 2.85Å; R617-D619 IonicContact NH2-OD1 3.32Å; R617-D619 IonicContact NH2-OD2 2.67Å; R617-D619 PolarHBondContact NH2-OD2 3.1Å; R617-D619 PolarHBondContact O-N 2.95Å; R617-I620 HydrophobicContact CB-CB 4.46Å; R617-I620 HydrophobicContact CB-CD1 4.14Å; R617-I620 HydrophobicContact CB-CG1 4.23Å; R617-I620 HydrophobicContact CG-CD1 4.49Å; R617-I620 PolarHBondContact O-N 3.2Å; R617-V621 PolarHBondContact O-N 2.88Å; R617-V621 VanDerWaalsContact O-N 3.16Å
618	M	97.3	Very high	91.8	Very high	76 Å²	76	54.6 Å²	54.6	37%	0.374	28%	0.283	S	S	.	.	H	α-helix	trans	-63.6	-22.5	177.4	-168.1	60.1	60.3	0	0	112.6	T613 N616 I620 V621 H622	T613-M618 HydrophobicContact CG2-CE 3.85Å; N616-M618 PolarHBondContact O-N 3.17Å; M618-I620 VanDerWaalsContact C-N 3.32Å; M618-V621 PolarHBondContact O-N 3.29Å; M618-V621 HydrophobicContact SD-CB 3.8Å; M618-V621 HydrophobicContact SD-CG1 3.84Å; M618-V621 HydrophobicContact SD-CG2 4.3Å; M618-H622 PolarHBondContact O-CD2 3.28Å; M618-H622 PolarHBondContact O-N 2.77Å
619	D	95.8	Very high	89.5	Confident	92 Å²	92	61.8 Å²	61.8	49%	0.492	32%	0.317	S	S	.	.	H	α-helix	trans	-61	-38.6	169.6	60.3	-48.9	0	0	0	112.3	R617 L623	R617-D619 VanDerWaalsContact CA-OD1 3.22Å; R617-D619 WeakPolarHBondContact CA-OD1 3.24Å; R617-D619 IonicContact CZ-OD1 3.35Å; R617-D619 IonicContact CZ-OD2 3.91Å; R617-D619 IonicContact NE-OD1 2.95Å; R617-D619 PolarHBondContact NE-OD1 3.15Å; R617-D619 IonicContact NE-OD2 2.71Å; R617-D619 PolarHBondContact NE-OD2 2.85Å; R617-D619 IonicContact NH2-OD1 3.32Å; R617-D619 IonicContact NH2-OD2 2.67Å; R617-D619 PolarHBondContact NH2-OD2 3.1Å; R617-D619 PolarHBondContact O-N 2.95Å; D619-L623 WeakPolarHBondContact O-CB 3.13Å; D619-L623 PolarHBondContact O-N 3.5Å
620	I	95.8	Very high	87.2	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-77.7	-36.7	174	-55.1	-177.6	0	0	0	110.9	I551 H554 L555 L612 R617 M618 H622 L623 M624	I551-I620 HydrophobicContact CG2-CG2 3.78Å; H554-I620 HydrophobicContact CB-CD1 4.36Å; H554-I620 HydrophobicContact CB-CG1 4.22Å; L555-I620 HydrophobicContact CB-CD1 4.24Å; L555-I620 HydrophobicContact CD1-CD1 3.77Å; L612-I620 HydrophobicContact CD1-CB 4.16Å; L612-I620 HydrophobicContact CD1-CG2 3.59Å; L612-I620 HydrophobicContact CD2-CB 4.13Å; L612-I620 HydrophobicContact CD2-CD1 3.97Å; L612-I620 HydrophobicContact CD2-CG2 4.04Å; L612-I620 HydrophobicContact CG-CG2 4.46Å; R617-I620 HydrophobicContact CB-CB 4.46Å; R617-I620 HydrophobicContact CB-CD1 4.14Å; R617-I620 HydrophobicContact CB-CG1 4.23Å; R617-I620 HydrophobicContact CG-CD1 4.49Å; R617-I620 PolarHBondContact O-N 3.2Å; M618-I620 VanDerWaalsContact C-N 3.32Å; I620-H622 PolarHBondContact O-N 2.93Å; I620-L623 CarbonylContact O-C 3.56Å; I620-L623 WeakPolarHBondContact O-CB 3.37Å; I620-L623 PolarHBondContact O-N 2.92Å; I620-L623 VanDerWaalsContact O-N 3.13Å; I620-M624 HydrophobicContact CG2-CG 4.48Å; I620-M624 WeakPolarHBondContact O-CG 3.2Å; I620-M624 PolarHBondContact O-N 3.41Å
621	V	95.6	Very high	84.7	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.018	34%	0.335	C	S	.	.	H	α-helix	trans	-58.2	-51	175.8	174.4	0	0	0	0	110.8	V609 L612 R617 M618 L623 M624 E625	V609-V621 HydrophobicContact CG1-CG1 3.74Å; V609-V621 HydrophobicContact CG1-CG2 4.26Å; V609-V621 HydrophobicContact CG2-CG1 4.43Å; L612-V621 HydrophobicContact CB-CG2 3.75Å; R617-V621 PolarHBondContact O-N 2.88Å; R617-V621 VanDerWaalsContact O-N 3.16Å; M618-V621 PolarHBondContact O-N 3.29Å; M618-V621 HydrophobicContact SD-CB 3.8Å; M618-V621 HydrophobicContact SD-CG1 3.84Å; M618-V621 HydrophobicContact SD-CG2 4.3Å; V621-L623 VanDerWaalsContact C-N 3.27Å; V621-L623 PolarHBondContact O-N 3.14Å; V621-M624 WeakPolarHBondContact O-CB 3.31Å; V621-M624 PolarHBondContact O-N 3.13Å; V621-M624 VanDerWaalsContact O-N 3.14Å; V621-E625 HydrophobicContact CG1-CG 4.4Å; V621-E625 WeakPolarHBondContact O-CG 3.16Å; V621-E625 PolarHBondContact O-N 3.41Å
622	H	93.8	Very high	82.4	Confident	101 Å²	101	70.6 Å²	70.6	47%	0.468	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-31.1	175.6	-66.9	-29.9	0	0	0	112.8	M618 I620 E625 T626	M618-H622 PolarHBondContact O-CD2 3.28Å; M618-H622 PolarHBondContact O-N 2.77Å; I620-H622 PolarHBondContact O-N 2.93Å; H622-E625 WeakPolarHBondContact CA-OE2 3.03Å; H622-E625 IonicContact CE1-OE2 3.79Å; H622-E625 IonicContact CG-OE2 3.31Å; H622-E625 IonicContact ND1-OE2 3.73Å; H622-E625 PolarHBondContact ND1-OE2 3.49Å; H622-T626 WeakPolarHBondContact O-CB 3.35Å; H622-T626 WeakPolarHBondContact O-CG2 3.28Å; H622-T626 PolarHBondContact O-N 3.18Å; H622-T626 PolarHBondContact O-OG1 3.24Å
623	L	93	Very high	80.1	Confident	33 Å²	33	75.3 Å²	75.3	17%	0.173	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-39.6	173.1	-171.2	70.2	0	0	0	111.9	Y550 H554 D619 I620 V621 N627	Y550-L623 HydrophobicContact CD1-CD2 4.27Å; Y550-L623 HydrophobicContact CD1-CG 4.41Å; Y550-L623 HydrophobicContact CE1-CD1 3.76Å; Y550-L623 HydrophobicContact CE1-CD2 3.78Å; Y550-L623 HydrophobicContact CE1-CG 3.68Å; H554-L623 HydrophobicContact CB-CD2 4Å; H554-L623 WeakPolarHBondContact ND1-CD2 3.39Å; D619-L623 WeakPolarHBondContact O-CB 3.13Å; D619-L623 PolarHBondContact O-N 3.5Å; I620-L623 CarbonylContact O-C 3.56Å; I620-L623 WeakPolarHBondContact O-CB 3.37Å; I620-L623 PolarHBondContact O-N 2.92Å; I620-L623 VanDerWaalsContact O-N 3.13Å; V621-L623 VanDerWaalsContact C-N 3.27Å; V621-L623 PolarHBondContact O-N 3.14Å; L623-N627 WeakPolarHBondContact O-CB 3.43Å; L623-N627 PolarHBondContact O-N 2.67Å
624	M	90.8	Very high	77.7	Confident	4 Å²	4	81.3 Å²	81.3	2%	0.02	40%	0.402	C	S	.	.	H	α-helix	trans	-65.4	-51.5	173.5	-69.6	178.2	66.6	0	0	110.8	I551 D605 L608 V609 L612 I620 V621 T626 N627 T628	I551-M624 HydrophobicContact CD1-CE 3.8Å; I551-M624 HydrophobicContact CD1-CG 3.62Å; I551-M624 HydrophobicContact CD1-SD 3.72Å; I551-M624 HydrophobicContact CG1-CG 3.77Å; I551-M624 HydrophobicContact CG1-SD 4.23Å; D605-M624 HydrophobicContact CB-CE 4.34Å; L608-M624 HydrophobicContact CB-CE 4.28Å; L608-M624 HydrophobicContact CD2-CE 3.84Å; L608-M624 HydrophobicContact CD2-SD 4.18Å; L608-M624 HydrophobicContact CG-CE 4.05Å; L608-M624 HydrophobicContact CG-SD 4.12Å; V609-M624 HydrophobicContact CG2-CE 3.83Å; V609-M624 HydrophobicContact CG2-SD 3.89Å; L612-M624 HydrophobicContact CD1-SD 3.5Å; L612-M624 VanDerWaalsContact CD1-SD 3.5Å; I620-M624 HydrophobicContact CG2-CG 4.48Å; I620-M624 WeakPolarHBondContact O-CG 3.2Å; I620-M624 PolarHBondContact O-N 3.41Å; V621-M624 WeakPolarHBondContact O-CB 3.31Å; V621-M624 PolarHBondContact O-N 3.13Å; V621-M624 VanDerWaalsContact O-N 3.14Å; M624-T626 VanDerWaalsContact C-N 3.3Å; M624-T626 PolarHBondContact O-N 3.48Å; M624-N627 PolarHBondContact O-N 3.32Å; M624-N627 VanDerWaalsContact O-N 3.11Å; M624-T628 PolarHBondContact O-N 2.83Å; M624-T628 PolarHBondContact O-OG1 2.89Å; M624-T628 VanDerWaalsContact O-OG1 3.05Å
625	E	88.5	Confident	75.5	Confident	97 Å²	97	82.9 Å²	82.9	45%	0.453	41%	0.413	S	S	.	.	H	α-helix	trans	-57.8	-39.2	-179.2	-69.5	170.2	153.1	0	0	112.6	V621 H622 T628	V621-E625 HydrophobicContact CG1-CG 4.4Å; V621-E625 WeakPolarHBondContact O-CG 3.16Å; V621-E625 PolarHBondContact O-N 3.41Å; H622-E625 WeakPolarHBondContact CA-OE2 3.03Å; H622-E625 IonicContact CE1-OE2 3.79Å; H622-E625 IonicContact CG-OE2 3.31Å; H622-E625 IonicContact ND1-OE2 3.73Å; H622-E625 PolarHBondContact ND1-OE2 3.49Å; E625-T628 WeakPolarHBondContact CA-OG1 3.36Å; E625-T628 PolarHBondContact O-OG1 3.05Å
626	T	82.9	Confident	73.3	Confident	108 Å²	108	84.7 Å²	84.7	66%	0.663	43%	0.428	S	S	*	.	H	α-helix	trans	-87.8	-0.3	179.9	57.4	0	0	0	0	114.5	H622 M624	H622-T626 WeakPolarHBondContact O-CB 3.35Å; H622-T626 WeakPolarHBondContact O-CG2 3.28Å; H622-T626 PolarHBondContact O-N 3.18Å; H622-T626 PolarHBondContact O-OG1 3.24Å; M624-T626 VanDerWaalsContact C-N 3.3Å; M624-T626 PolarHBondContact O-N 3.48Å
627	N	65.2	Low	71	Confident	66 Å²	66	82.3 Å²	82.3	35%	0.353	41%	0.413	S	S	.	.	H	α-helix	trans	-104.9	-28.9	171.5	-168	-76	0	0	0	111.4	L623 M624 E629	L623-N627 WeakPolarHBondContact O-CB 3.43Å; L623-N627 PolarHBondContact O-N 2.67Å; M624-N627 PolarHBondContact O-N 3.32Å; M624-N627 VanDerWaalsContact O-N 3.11Å; N627-E629 VanDerWaalsContact C-N 3.28Å; N627-E629 PolarHBondContact O-N 3.28Å
628	T	59.4	Low	69.6	Low	74 Å²	74	83.1 Å²	83.1	45%	0.454	43%	0.425	S	S	.	.	H	α-helix	trans	-64.8	-25.8	174.7	38.3	0	0	0	0	114.7	M624 E625	M624-T628 PolarHBondContact O-N 2.83Å; M624-T628 PolarHBondContact O-OG1 2.89Å; M624-T628 VanDerWaalsContact O-OG1 3.05Å; E625-T628 WeakPolarHBondContact CA-OG1 3.36Å; E625-T628 PolarHBondContact O-OG1 3.05Å
629	E	45.5	Very low	67.3	Low	153 Å²	153	87.4 Å²	87.4	72%	0.715	44%	0.438	S	S	*	.	S	Bend	trans	-129.4	135.3	168.5	-68.3	-175.5	176.8	0	0	109.3	N627	N627-E629 VanDerWaalsContact C-N 3.28Å; N627-E629 PolarHBondContact O-N 3.28Å
630	P	48.5	Very low	65.7	Low	62 Å²	62	85.2 Å²	85.2	40%	0.403	43%	0.433	S	S	.	.	S	Bend	cis	-132	88.3	-9.7	31.1	-8.6	0	0	0	111.6	E633 R634	P630-E633 HydrophobicContact CB-CB 3.63Å; P630-R634 WeakPolarHBondContact O-CB 3.31Å; P630-R634 PolarHBondContact O-N 3.46Å; P630-R634 VanDerWaalsContact O-N 3.15Å
631	L	44.8	Very low	64.2	Low	130 Å²	130	91.6 Å²	91.6	68%	0.681	46%	0.463	S	S	*	.	H	α-helix	trans	-79.8	-51.1	175.1	-161.9	76.1	0	0	0	111.9	E633 R634	L631-E633 VanDerWaalsContact C-N 3.29Å; L631-E633 PolarHBondContact O-N 3.36Å; L631-R634 PolarHBondContact O-N 2.95Å; L631-R634 VanDerWaalsContact O-N 3.14Å
632	Q	48.7	Very low	62.6	Low	134 Å²	134	95.6 Å²	95.6	63%	0.626	48%	0.483	S	S	*	.	H	α-helix	trans	-52.1	-51.2	172.9	-168.9	73	5	0	0	110.4	R634 I635 S636	Q632-R634 PolarHBondContact O-N 3.14Å; Q632-I635 PolarHBondContact O-N 2.98Å; Q632-S636 PolarHBondContact O-N 3.32Å; Q632-S636 PolarHBondContact O-OG 3.08Å
633	E	48.9	Very low	61.2	Low	98 Å²	98	96.1 Å²	96.1	46%	0.458	49%	0.486	S	S	.	.	H	α-helix	trans	-66	-29.2	179.8	-104.5	-162.9	174.6	0	0	113.4	P630 L631 I635 S636 H637	P630-E633 HydrophobicContact CB-CB 3.63Å; L631-E633 VanDerWaalsContact C-N 3.29Å; L631-E633 PolarHBondContact O-N 3.36Å; E633-I635 VanDerWaalsContact C-N 3.3Å; E633-I635 PolarHBondContact O-N 3.13Å; E633-S636 WeakPolarHBondContact CA-OG 3.46Å; E633-H637 VanDerWaalsContact CD-CE1 3.46Å; E633-H637 WeakPolarHBondContact CG-NE2 3.38Å; E633-H637 WeakPolarHBondContact O-CA 3.17Å; E633-H637 WeakPolarHBondContact O-CB 3.38Å; E633-H637 PolarHBondContact O-CD2 2.77Å; E633-H637 PolarHBondContact O-N 3.23Å; E633-H637 IonicContact OE1-CE1 3.43Å; E633-H637 IonicContact OE1-NE2 3.55Å; E633-H637 PolarHBondContact OE1-NE2 2.95Å; E633-H637 IonicContact OE2-CD2 3.3Å; E633-H637 IonicContact OE2-CE1 2.68Å; E633-H637 IonicContact OE2-NE2 3.67Å; E633-H637 PolarHBondContact OE2-NE2 2.88Å
634	R	47.8	Very low	59.5	Low	183 Å²	183	101 Å²	101	69%	0.691	51%	0.508	S	S	*	.	H	α-helix	trans	-66.4	-33.9	177.6	-179.9	170.8	-68.5	-152.5	-0.8	112.5	P630 L631 Q632 S638	P630-R634 WeakPolarHBondContact O-CB 3.31Å; P630-R634 PolarHBondContact O-N 3.46Å; P630-R634 VanDerWaalsContact O-N 3.15Å; L631-R634 PolarHBondContact O-N 2.95Å; L631-R634 VanDerWaalsContact O-N 3.14Å; Q632-R634 PolarHBondContact O-N 3.14Å; R634-S638 PolarHBondContact O-N 3.01Å
635	I	50.4	Low	57.8	Low	120 Å²	120	104.8 Å²	104.8	62%	0.615	53%	0.531	S	S	*	.	H	α-helix	trans	-77.9	-44.8	179.8	-59	176.7	0	0	0	109.7	Q632 E633 S638 Y639	Q632-I635 PolarHBondContact O-N 2.98Å; E633-I635 VanDerWaalsContact C-N 3.3Å; E633-I635 PolarHBondContact O-N 3.13Å; I635-S638 PolarHBondContact O-N 2.92Å; I635-Y639 PolarHBondContact O-N 2.83Å
636	S	51.5	Low	56.3	Low	63 Å²	63	105 Å²	105	44%	0.441	54%	0.535	S	S	.	.	H	α-helix	trans	-72.5	-37.9	178.1	58.3	0	0	0	0	113.3	Q632 E633 S638 Y639 A640	Q632-S636 PolarHBondContact O-N 3.32Å; Q632-S636 PolarHBondContact O-OG 3.08Å; E633-S636 WeakPolarHBondContact CA-OG 3.46Å; S636-S638 VanDerWaalsContact C-N 3.26Å; S636-S638 PolarHBondContact O-N 3.04Å; S636-Y639 PolarHBondContact O-N 3.18Å; S636-Y639 VanDerWaalsContact O-N 3.07Å; S636-A640 WeakPolarHBondContact O-CB 3.32Å; S636-A640 PolarHBondContact O-N 2.85Å
637	H	49.2	Very low	55	Low	85 Å²	85	104.9 Å²	104.9	39%	0.394	53%	0.534	S	S	.	.	H	α-helix	trans	-60.8	-34.8	170.4	-71.4	-34.3	0	0	0	111.6	E633 Y639 A640 E641	E633-H637 VanDerWaalsContact CD-CE1 3.46Å; E633-H637 WeakPolarHBondContact CG-NE2 3.38Å; E633-H637 WeakPolarHBondContact O-CA 3.17Å; E633-H637 WeakPolarHBondContact O-CB 3.38Å; E633-H637 PolarHBondContact O-CD2 2.77Å; E633-H637 PolarHBondContact O-N 3.23Å; E633-H637 IonicContact OE1-CE1 3.43Å; E633-H637 IonicContact OE1-NE2 3.55Å; E633-H637 PolarHBondContact OE1-NE2 2.95Å; E633-H637 IonicContact OE2-CD2 3.3Å; E633-H637 IonicContact OE2-CE1 2.68Å; E633-H637 IonicContact OE2-NE2 3.67Å; E633-H637 PolarHBondContact OE2-NE2 2.88Å; H637-Y639 PolarHBondContact O-N 2.88Å; H637-A640 PolarHBondContact O-N 3.25Å; H637-E641 WeakPolarHBondContact O-CB 3.38Å; H637-E641 PolarHBondContact O-N 2.68Å
638	S	67.9	Low	54.4	Low	62 Å²	62	108.7 Å²	108.7	43%	0.434	55%	0.553	S	S	.	*	H	α-helix	trans	-63.2	-31.1	175.4	-170.8	0	0	0	0	112.3	R634 I635 S636 I642	R634-S638 PolarHBondContact O-N 3.01Å; I635-S638 PolarHBondContact O-N 2.92Å; S636-S638 VanDerWaalsContact C-N 3.26Å; S636-S638 PolarHBondContact O-N 3.04Å; S638-I642 VanDerWaalsContact O-CB 3.31Å; S638-I642 WeakPolarHBondContact O-CB 3.35Å; S638-I642 WeakPolarHBondContact O-CD1 3.41Å; S638-I642 WeakPolarHBondContact O-CG1 3.36Å
639	Y	48.9	Very low	54	Low	166 Å²	166	111.5 Å²	111.5	65%	0.651	57%	0.566	S	S	*	*	H	α-helix	trans	-83	-43.9	172.1	-87.8	-90.3	0	0	0	111.7	I635 S636 H637 I642 E643	I635-Y639 PolarHBondContact O-N 2.83Å; S636-Y639 PolarHBondContact O-N 3.18Å; S636-Y639 VanDerWaalsContact O-N 3.07Å; H637-Y639 PolarHBondContact O-N 2.88Å; Y639-I642 CarbonylContact O-C 3.6Å; Y639-I642 PolarHBondContact O-N 3.37Å; Y639-E643 WeakPolarHBondContact O-CB 3.3Å; Y639-E643 WeakPolarHBondContact O-CG 3.45Å; Y639-E643 PolarHBondContact O-N 3.14Å
640	A	63	Low	53.9	Low	46 Å²	46	111.2 Å²	111.2	38%	0.38	56%	0.564	S	S	.	*	H	α-helix	trans	-68.3	-36.5	-178.1	0	0	0	0	0	113.8	S636 H637 Q644	S636-A640 WeakPolarHBondContact O-CB 3.32Å; S636-A640 PolarHBondContact O-N 2.85Å; H637-A640 PolarHBondContact O-N 3.25Å; A640-Q644 WeakPolarHBondContact O-CB 3.49Å; A640-Q644 PolarHBondContact O-N 3.24Å
641	E	63.7	Low	53.7	Low	136 Å²	136	113.8 Å²	113.8	64%	0.636	58%	0.583	S	S	*	*	H	α-helix	trans	-71.1	-33.7	173.3	-171	177.8	-165.9	0	0	110.9	H637 T645	H637-E641 WeakPolarHBondContact O-CB 3.38Å; H637-E641 PolarHBondContact O-N 2.68Å; E641-T645 WeakPolarHBondContact O-CB 3.43Å; E641-T645 WeakPolarHBondContact O-CG2 3.47Å; E641-T645 PolarHBondContact O-N 3.12Å; E641-T645 PolarHBondContact O-OG1 3.05Å
642	I	62.8	Low	53.9	Low	86 Å²	86	116 Å²	116	44%	0.441	59%	0.59	S	S	.	*	H	α-helix	trans	-69	-46	172	-73.8	178.7	0	0	0	110.6	S638 Y639 Q644 T645 I646	S638-I642 VanDerWaalsContact O-CB 3.31Å; S638-I642 WeakPolarHBondContact O-CB 3.35Å; S638-I642 WeakPolarHBondContact O-CD1 3.41Å; S638-I642 WeakPolarHBondContact O-CG1 3.36Å; Y639-I642 CarbonylContact O-C 3.6Å; Y639-I642 PolarHBondContact O-N 3.37Å; I642-Q644 PolarHBondContact O-N 3.25Å; I642-T645 WeakPolarHBondContact CA-OG1 3.16Å; I642-T645 PolarHBondContact O-N 3.49Å; I642-T645 PolarHBondContact O-OG1 3.27Å; I642-T645 VanDerWaalsContact O-OG1 3.07Å; I642-I646 HydrophobicContact CG2-CD1 3.49Å; I642-I646 VanDerWaalsContact CG2-CD1 3.49Å; I642-I646 HydrophobicContact CG2-CG1 4.24Å; I642-I646 WeakPolarHBondContact O-CB 3.47Å; I642-I646 WeakPolarHBondContact O-CG1 3.43Å; I642-I646 PolarHBondContact O-N 3.47Å
643	E	63.7	Low	53.9	Low	112 Å²	112	112.4 Å²	112.4	52%	0.523	59%	0.589	S	S	.	*	H	α-helix	trans	-61.8	-42.2	173.8	-75.7	173.9	-166.4	0	0	111.7	Y639 T645 I646 T647	Y639-E643 WeakPolarHBondContact O-CB 3.3Å; Y639-E643 WeakPolarHBondContact O-CG 3.45Å; Y639-E643 PolarHBondContact O-N 3.14Å; E643-T645 VanDerWaalsContact C-N 3.27Å; E643-T645 PolarHBondContact O-N 3.08Å; E643-I646 PolarHBondContact O-N 3.32Å; E643-T647 WeakPolarHBondContact O-CB 3.45Å; E643-T647 VanDerWaalsContact O-CG2 3.3Å; E643-T647 WeakPolarHBondContact O-CG2 3.28Å; E643-T647 PolarHBondContact O-N 2.86Å; E643-T647 PolarHBondContact O-OG1 3.45Å
644	Q	58.1	Low	53.3	Low	137 Å²	137	117 Å²	117	64%	0.64	61%	0.608	S	S	*	*	H	α-helix	trans	-67.1	-25	176.9	-169.1	166.3	108.3	0	0	113	A640 I642 T647 L648	A640-Q644 WeakPolarHBondContact O-CB 3.49Å; A640-Q644 PolarHBondContact O-N 3.24Å; I642-Q644 PolarHBondContact O-N 3.25Å; Q644-T647 WeakPolarHBondContact CA-OG1 3.23Å; Q644-T647 PolarHBondContact O-OG1 3.21Å; Q644-L648 WeakPolarHBondContact O-CD1 3.37Å
645	T	54.5	Low	52.8	Low	83 Å²	83	112.9 Å²	112.9	51%	0.509	61%	0.607	S	S	.	*	H	α-helix	trans	-89.3	-33.4	172.6	48.1	0	0	0	0	113.3	E641 I642 E643 L648 D649	E641-T645 WeakPolarHBondContact O-CB 3.43Å; E641-T645 WeakPolarHBondContact O-CG2 3.47Å; E641-T645 PolarHBondContact O-N 3.12Å; E641-T645 PolarHBondContact O-OG1 3.05Å; I642-T645 WeakPolarHBondContact CA-OG1 3.16Å; I642-T645 PolarHBondContact O-N 3.49Å; I642-T645 PolarHBondContact O-OG1 3.27Å; I642-T645 VanDerWaalsContact O-OG1 3.07Å; E643-T645 VanDerWaalsContact C-N 3.27Å; E643-T645 PolarHBondContact O-N 3.08Å; T645-L648 PolarHBondContact O-N 2.9Å; T645-D649 PolarHBondContact O-N 3.17Å
646	I	57	Low	52.4	Low	102 Å²	102	114.2 Å²	114.2	52%	0.523	62%	0.62	S	S	.	*	H	α-helix	trans	-66.7	-41.1	172.6	-66.3	163.5	0	0	0	111	I642 E643 L648 D649	I642-I646 HydrophobicContact CG2-CD1 3.49Å; I642-I646 VanDerWaalsContact CG2-CD1 3.49Å; I642-I646 HydrophobicContact CG2-CG1 4.24Å; I642-I646 WeakPolarHBondContact O-CB 3.47Å; I642-I646 WeakPolarHBondContact O-CG1 3.43Å; I642-I646 PolarHBondContact O-N 3.47Å; E643-I646 PolarHBondContact O-N 3.32Å; I646-L648 PolarHBondContact O-N 2.93Å; I646-D649 PolarHBondContact O-N 3.37Å
647	T	54.8	Low	51.9	Low	104 Å²	104	118.8 Å²	118.8	64%	0.638	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-20.8	175.4	50.7	0	0	0	0	112.9	E643 Q644	E643-T647 WeakPolarHBondContact O-CB 3.45Å; E643-T647 VanDerWaalsContact O-CG2 3.3Å; E643-T647 WeakPolarHBondContact O-CG2 3.28Å; E643-T647 PolarHBondContact O-N 2.86Å; E643-T647 PolarHBondContact O-OG1 3.45Å; Q644-T647 WeakPolarHBondContact CA-OG1 3.23Å; Q644-T647 PolarHBondContact O-OG1 3.21Å
648	L	54.2	Low	51.3	Low	147 Å²	147	123.3 Å²	123.3	77%	0.77	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-25.4	173.1	-114.8	80.6	0	0	0	113.9	Q644 T645 I646	Q644-L648 WeakPolarHBondContact O-CD1 3.37Å; T645-L648 PolarHBondContact O-N 2.9Å; I646-L648 PolarHBondContact O-N 2.93Å
649	D	50.8	Low	50.1	Low	133 Å²	133	129 Å²	129	71%	0.711	68%	0.68	S	S	*	*	S	Bend	trans	-101.6	19.4	-173.3	-161.4	33.5	0	0	0	114.5	T645 I646	T645-D649 PolarHBondContact O-N 3.17Å; I646-D649 PolarHBondContact O-N 3.37Å
650	H	43.6	Very low	49.7	Very low	147 Å²	147	130 Å²	130	68%	0.681	69%	0.691	S	S	*	*	S	Bend	trans	-135.6	108.4	170	-74.6	94	0	0	0	113.8
651	S	42.3	Very low	48.4	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	71%	0.712	S	S	*	*			trans	72	107.8	168.1	67.6	0	0	0	0	118.5	G653	S651-G653 PolarHBondContact O-N 3.17Å
652	E	50.8	Low	46.8	Very low	178 Å²	178	134.6 Å²	134.6	83%	0.832	72%	0.72	S	S	*	*	S	Bend	trans	-60.5	91.3	155.1	-63.6	-179.1	157	0	0	110.4
653	G	47.5	Very low	45.4	Very low	58 Å²	58	137.4 Å²	137.4	60%	0.598	74%	0.741	S	S	*	*			trans	169.1	112.8	171.8	0	0	0	0	0	117.4	S651	S651-G653 PolarHBondContact O-N 3.17Å
654	F	36.3	Very low	43.9	Very low	195 Å²	195	136 Å²	136	86%	0.855	75%	0.75	S	S	*	*	S	Bend	trans	68	81.6	153.1	-118.8	-87.9	0	0	0	117.1
655	S	38.5	Very low	42.5	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	75%	0.754	S	S	*	*				173.8	68.7	120.9	-74.9	0	0	0	0	114.2	L657	S655-L657 PolarHBondContact O-N 3.36Å
656	V	42	Very low	41.2	Very low	148 Å²	148	141.9 Å²	141.9	90%	0.897	77%	0.771	S	S	*	*	S	Bend	trans	-80.4	34.7	174.6	-172.1	0	0	0	0	111.7
657	L	39.5	Very low	39.9	Very low	159 Å²	159	145.7 Å²	145.7	83%	0.832	78%	0.784	S	S	*	*			trans	-148.6	37.3	-170.1	-75.1	179.9	0	0	0	114.5	S655	S655-L657 PolarHBondContact O-N 3.36Å
658	Q	38.1	Very low	38.9	Very low	181 Å²	181	148.8 Å²	148.8	85%	0.846	79%	0.791	S	S	*	*	S	Bend	trans	-138.6	23	173.6	-163.1	143.1	-9	0	0	117
659	E	42.1	Very low	37.7	Very low	182 Å²	182	149.9 Å²	149.9	85%	0.85	79%	0.789	S	S	*	*	S	Bend	trans	-141	2.6	165.6	-151.8	147.4	-149.2	0	0	117.7	L661	E659-L661 VanDerWaalsContact C-N 3.27Å; E659-L661 PolarHBondContact O-N 2.86Å
660	E	41.5	Very low	36.4	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.874	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	13.6	171.2	-74	-162	120.4	0	0	114.6
661	L	35.8	Very low	35.7	Very low	158 Å²	158	149.8 Å²	149.8	83%	0.827	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	11.9	-169.3	-72.3	177.8	0	0	0	116.9	E659	E659-L661 VanDerWaalsContact C-N 3.27Å; E659-L661 PolarHBondContact O-N 2.86Å
662	C	29.3	Very low	34.9	Very low	120 Å²	120	151.6 Å²	151.6	81%	0.811	78%	0.781	S	S	*	*	S	Bend	trans	-107.7	13.2	-178.3	-79.6	0	0	0	0	116.5
663	T	32.4	Very low	33.7	Very low	144 Å²	144	147.3 Å²	147.3	88%	0.883	78%	0.775	S	S	*	*	S	Bend	trans	-114.6	12.8	174.7	50.1	0	0	0	0	115.1
664	A	33.1	Very low	32.6	Very low	84 Å²	84	150.8 Å²	150.8	69%	0.694	79%	0.785	S	S	*	*	S	Bend	trans	-157.4	72.2	175.3	0	0	0	0	0	116.8
665	Q	28.5	Very low	32.2	Very low	159 Å²	159	146.1 Å²	146.1	74%	0.743	78%	0.776	S	S	*	*			trans	-156	82.8	154.4	-134.4	169.6	102.7	0	0	117.6
666	H	27.4	Very low	32	Very low	184 Å²	184	149.6 Å²	149.6	85%	0.852	78%	0.779	S	S	*	*	S	Bend	trans	-109.5	69.6	152.5	-177.2	-83.2	0	0	0	111
667	K	30	Very low	31.3	Very low	182 Å²	182	150 Å²	150	79%	0.791	77%	0.771	S	S	*	*			trans	176.1	116.3	141	-107.4	-174.3	172.7	-175.7	0	110.7
668	Q	32.5	Very low	30.7	Very low	169 Å²	169	146.3 Å²	146.3	79%	0.79	76%	0.759	S	S	*	*			trans	-91	145.5	157.3	-67.4	-178.7	-10.6	0	0	109.7
669	K	29.4	Very low	30.3	Very low	169 Å²	169	145.2 Å²	145.2	74%	0.735	75%	0.754	S	S	*	*				-162.5	144	124.6	-137.5	-165.4	172	-147.5	0	113.3
670	E	24.4	Very low	29.6	Very low	126 Å²	126	142.6 Å²	142.6	59%	0.589	75%	0.75	S	S	*	*			trans	74.2	91.5	145.2	-131	122.5	-107.8	0	0	120.4
671	E	27.6	Very low	29.1	Very low	153 Å²	153	138.4 Å²	138.4	72%	0.715	74%	0.741	S	S	*	*				57.2	148.5	117	-62.3	-152.4	129.2	0	0	121.8
672	Q	27.1	Very low	28.8	Very low	153 Å²	153	137.9 Å²	137.9	72%	0.715	74%	0.739	S	S	*	*			cis	-160.1	152.3	0.6	-126.8	-179.3	44.9	0	0	109.1
673	A	25.6	Very low	28.7	Very low	87 Å²	87	139.2 Å²	139.2	72%	0.719	73%	0.733	S	S	*	*				160	116.7	122.6	0	0	0	0	0	116.6
674	V	23.8	Very low	30	Very low	131 Å²	131	137.6 Å²	137.6	79%	0.794	73%	0.725	S	S	*	*				67.4	88.2	129.9	-173.8	0	0	0	0	120.3
675	S	28	Very low	30.3	Very low	97 Å²	97	138.3 Å²	138.3	68%	0.678	72%	0.723	S	S	*	*				81.6	114.4	116.5	-59.8	0	0	0	0	124.4
676	K	34.2	Very low	30.4	Very low	168 Å²	168	137.3 Å²	137.3	73%	0.73	72%	0.721	S	S	*	*				90.5	143.1	118.9	-78.2	176.4	140.2	-120.3	0	122.9
677	E	26.2	Very low	30.5	Very low	156 Å²	156	133.8 Å²	133.8	73%	0.729	71%	0.712	S	S	*	*			trans	67.1	144.6	153.4	-72.5	160.5	68.2	0	0	118.4
678	S	27.3	Very low	30.6	Very low	82 Å²	82	128.8 Å²	128.8	57%	0.573	70%	0.7	S	S	*	*			cis	-166.6	164.2	-29.6	57.3	0	0	0	0	111.1
679	E	29.7	Very low	30.9	Very low	158 Å²	158	129.1 Å²	129.1	74%	0.738	70%	0.702	S	S	*	*			trans	65.3	134.4	148.4	-76.4	163.3	106.1	0	0	123.9
680	T	28.2	Very low	31.2	Very low	127 Å²	127	129.2 Å²	129.2	78%	0.779	71%	0.705	S	S	*	*			trans	71.4	122	149.4	50.8	0	0	0	0	119.2
681	C	30.1	Very low	32.6	Very low	100 Å²	100	131.1 Å²	131.1	68%	0.676	72%	0.719	S	S	*	*				73.9	126.1	67.7	-157.9	0	0	0	0	110.5
682	D	29.4	Very low	32.8	Very low	146 Å²	146	130.3 Å²	130.3	78%	0.781	72%	0.718	S	S	*	*				-149.1	-175.1	50.7	-144.9	-45.5	0	0	0	113.5
683	H	28.5	Very low	33.5	Very low	148 Å²	148	129.1 Å²	129.1	69%	0.685	73%	0.727	S	S	*	*			trans	-93.4	165.9	-164.2	-64.2	-84.5	0	0	0	114.9
684	P	58.3	Low	33.5	Very low	110 Å²	110	130.8 Å²	130.8	71%	0.714	73%	0.727	S	S	*	*			trans	-86.6	-167.1	-173.2	41	-38.8	0	0	0	111.5
685	P	40.9	Very low	34	Very low	100 Å²	100	128 Å²	128	65%	0.649	73%	0.726	S	S	*	*				-156.4	-171	80.1	44.5	-24.7	0	0	0	115.7
686	I	29.3	Very low	33.9	Very low	138 Å²	138	134.1 Å²	134.1	71%	0.708	74%	0.735	S	S	*	*			trans	78.2	103.2	158.4	-69	165.1	0	0	0	115.6
687	V	29.8	Very low	34.3	Very low	109 Å²	109	131.7 Å²	131.7	66%	0.661	74%	0.74	S	S	*	*				45.1	138.9	86.8	-104.3	0	0	0	0	115
688	S	32.4	Very low	34.2	Very low	78 Å²	78	129.8 Å²	129.8	55%	0.545	74%	0.739	S	S	.	*			cis	-148.9	175	14.5	-57.8	0	0	0	0	112.5
689	E	38.5	Very low	34.3	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	75%	0.751	S	S	*	*			trans	63	172.9	134	79.5	-148.8	146.2	0	0	123.1
690	E	35.1	Very low	34.3	Very low	171 Å²	171	136.1 Å²	136.1	80%	0.799	76%	0.757	S	S	*	*			trans	72.9	112.5	176.3	83.3	-175.5	147.8	0	0	121.2	I692	E690-I692 PolarHBondContact O-N 3.46Å
691	D	53.8	Low	34.2	Very low	167 Å²	167	136 Å²	136	89%	0.893	75%	0.752	S	S	*	*			trans	-62.8	119.5	166.7	-97.1	-61.3	0	0	0	111.8
692	I	31.6	Very low	34.2	Very low	136 Å²	136	133.3 Å²	133.3	70%	0.697	74%	0.74	S	S	*	*			trans	-134.6	97.6	163.9	47.5	166	0	0	0	112.9	E690 V694	E690-I692 PolarHBondContact O-N 3.46Å; I692-V694 PolarHBondContact O-N 3.41Å
693	S	42.6	Very low	34.7	Very low	128 Å²	128	128 Å²	128	90%	0.895	71%	0.713	S	S	*	*			trans	-69.8	87.5	163.7	-84.2	0	0	0	0	111.5
694	V	26	Very low	35.2	Very low	121 Å²	121	126.6 Å²	126.6	73%	0.733	72%	0.717	S	S	*	*			trans	-132.7	114.4	160.3	-172.7	0	0	0	0	109.2	I692	I692-V694 PolarHBondContact O-N 3.41Å
695	G	34.2	Very low	33.9	Very low	73 Å²	73	126.8 Å²	126.8	75%	0.753	71%	0.707	S	S	*	*			trans	-74.8	148.5	-175.5	0	0	0	0	0	114.1
696	Y	25.3	Very low	33.5	Very low	225 Å²	225	128.4 Å²	128.4	88%	0.882	72%	0.715	S	S	*	*			trans	-112.8	109.3	163	-100	-94.1	0	0	0	110.5
697	S	42.4	Very low	33.4	Very low	118 Å²	118	129.8 Å²	129.8	83%	0.825	72%	0.719	S	S	*	*			trans	-125	115.3	159.3	177.4	0	0	0	0	108
698	T	25.7	Very low	33.5	Very low	116 Å²	116	128.2 Å²	128.2	71%	0.712	72%	0.724	S	S	*	*			trans	-162.2	102.2	171.1	-68.3	0	0	0	0	110.8
699	F	27.6	Very low	33.2	Very low	187 Å²	187	131.5 Å²	131.5	82%	0.82	74%	0.736	S	S	*	*			trans	-156.5	111.5	136.4	23	-107	0	0	0	112.4
700	Q	29.7	Very low	32.9	Very low	185 Å²	185	126.8 Å²	126.8	86%	0.864	72%	0.722	S	S	*	*			trans	66.9	115.2	162	-59.1	161.4	103.8	0	0	115.7
701	D	28.1	Very low	32.7	Very low	126 Å²	126	123.5 Å²	123.5	67%	0.674	72%	0.718	S	S	*	*			cis	73.1	94.4	39.2	-163.6	24.2	0	0	0	112.7	G128 A129	G128-D701 WeakPolarHBondContact CA-OD1 3.47Å; A129-D701 CarbonylContact O-C 3.38Å
702	G	29.2	Very low	31.5	Very low	42 Å²	42	119.4 Å²	119.4	43%	0.433	71%	0.707	S	S	.	*			cis	167.8	-114.8	10.7	0	0	0	0	0	117.5	A129 D130	A129-G702 VanDerWaalsContact C-C 3.45Å; A129-G702 VanDerWaalsContact C-N 3.27Å; A129-G702 CarbonylContact C-O 3.57Å; A129-G702 VanDerWaalsContact N-CA 3.26Å; A129-G702 PolarHBondContact O-N 2.76Å; D130-G702 PolarHBondContact N-O 2.8Å
703	V	39.2	Very low	31.3	Very low	36 Å²	36	119.4 Å²	119.4	22%	0.218	71%	0.714	C	S	.	*			trans	-82.6	-179.4	-157.8	-49.4	0	0	0	0	119	T127 G128 A129 D130	T127-V703 VanDerWaalsContact CA-CG1 3.49Å; T127-V703 HydrophobicContact CG2-CG2 4.2Å; T127-V703 WeakPolarHBondContact O-CG1 3.41Å; G128-V703 VanDerWaalsContact O-CG2 3.32Å; G128-V703 WeakPolarHBondContact O-CG2 3.42Å; A129-V703 VanDerWaalsContact CA-O 3.28Å; A129-V703 WeakPolarHBondContact CA-O 3.41Å; A129-V703 VanDerWaalsContact N-N 3.1Å; D130-V703 PolarHBondContact N-O 2.91Å
704	P	38.6	Very low	30.5	Very low	118 Å²	118	117.1 Å²	117.1	77%	0.766	70%	0.702	S	S	*	*				-129.9	123.9	52.8	15.1	11.7	0	0	0	120.3
705	K	32.4	Very low	30.5	Very low	113 Å²	113	119.4 Å²	119.4	49%	0.491	71%	0.71	S	S	.	*				36.6	114.5	118.5	-75.8	-179.8	159.4	170.2	0	119.3	A126 T127	A126-K705 VanDerWaalsContact O-CE 3.24Å; A126-K705 WeakPolarHBondContact O-CE 3.21Å; T127-K705 WeakPolarHBondContact OG1-CE 3.47Å; T127-K705 PolarHBondContact OG1-NZ 2.96Å
706	T	31.3	Very low	30.2	Very low	135 Å²	135	124.8 Å²	124.8	83%	0.828	71%	0.713	S	S	*	*				-146.3	96.8	115.9	-42.3	0	0	0	0	105.8
707	E	28.8	Very low	30.5	Very low	167 Å²	167	119 Å²	119	78%	0.78	70%	0.703	S	S	*	*				63.9	105.8	80.7	-161.3	168.9	-99.1	0	0	111.3
708	G	30.1	Very low	29.7	Very low	76 Å²	76	121.8 Å²	121.8	78%	0.784	70%	0.703	S	S	*	*			trans	173.2	42	-167.1	0	0	0	0	0	116.6
709	D	27	Very low	29.6	Very low	147 Å²	147	122.8 Å²	122.8	79%	0.786	71%	0.709	S	S	*	*			trans	32.1	108.1	161.5	-63.4	-12.9	0	0	0	121.4
710	S	32.8	Very low	29.6	Very low	75 Å²	75	121.9 Å²	121.9	52%	0.524	71%	0.707	S	S	.	*				55.8	124.5	113.5	-53.5	0	0	0	0	121.7
711	S	29.5	Very low	29.5	Very low	103 Å²	103	121.8 Å²	121.8	72%	0.72	70%	0.704	S	S	*	*			trans	81.6	142.1	141.4	-63.9	0	0	0	0	119.7
712	A	29.1	Very low	29.4	Very low	80 Å²	80	122.5 Å²	122.5	66%	0.661	70%	0.703	S	S	*	*			cis	-166.1	-179.3	-11.8	0	0	0	0	0	110.9
713	T	27.7	Very low	29.2	Very low	136 Å²	136	127.9 Å²	127.9	83%	0.834	72%	0.717	S	S	*	*			trans	76.3	96.2	155.6	-51.7	0	0	0	0	116.5
714	A	26.4	Very low	28.5	Very low	80 Å²	80	131.9 Å²	131.9	66%	0.661	74%	0.741	S	S	*	*			trans	-52.1	158.7	159.4	0	0	0	0	0	113.7
715	L	25.9	Very low	27.9	Very low	169 Å²	169	133.3 Å²	133.3	89%	0.885	74%	0.737	S	S	*	*				-160.9	150.6	118.1	-105.3	166.6	0	0	0	111.8
716	F	27.4	Very low	27.7	Very low	186 Å²	186	134.8 Å²	134.8	82%	0.816	75%	0.746	S	S	*	*			trans	-78.5	174.4	174.1	-71.1	-96.6	0	0	0	111.7
717	P	30.7	Very low	27.5	Very low	105 Å²	105	133.2 Å²	133.2	68%	0.682	73%	0.733	S	S	*	*			cis	-128.7	175.7	-30	29.6	-11.2	0	0	0	113.5	T719	P717-T719 PolarHBondContact O-N 2.82Å
718	Q	26.4	Very low	27.4	Very low	175 Å²	175	133.6 Å²	133.6	82%	0.818	73%	0.732	S	S	*	*			trans	-31.5	116.6	160.4	-179.6	-178.3	3.1	0	0	115.1
719	T	24.4	Very low	27.3	Very low	137 Å²	137	135.8 Å²	135.8	84%	0.84	74%	0.735	S	S	*	*			trans	-120.4	117	156.4	41.7	0	0	0	0	107.6	P717	P717-T719 PolarHBondContact O-N 2.82Å
720	H	27.6	Very low	27.2	Very low	168 Å²	168	132 Å²	132	78%	0.778	73%	0.731	S	S	*	*			trans	-94.4	122.9	179.4	71.8	-95.2	0	0	0	109.6
721	K	27.8	Very low	26.9	Very low	183 Å²	183	137 Å²	137	80%	0.796	74%	0.744	S	S	*	*			trans	-162.6	151.1	176	-116.5	-170.2	-179.2	-170.2	0	112
722	E	24.5	Very low	26.7	Very low	141 Å²	141	138.7 Å²	138.7	66%	0.659	74%	0.742	S	S	*	*			trans	65.9	164.3	156.2	-82.1	-170.4	76.5	0	0	119.6
723	Q	24.9	Very low	26.5	Very low	155 Å²	155	142.4 Å²	142.4	72%	0.724	75%	0.745	S	S	*	*			trans	28.9	138.3	137.5	-68.9	-159.4	71.7	0	0	120.5
724	V	25.3	Very low	26.4	Very low	120 Å²	120	142.6 Å²	142.6	73%	0.727	74%	0.741	S	S	*	*			cis	-166.1	-169.5	-5.5	90.2	0	0	0	0	108.8
725	Q	26.2	Very low	26.5	Very low	148 Å²	148	146.3 Å²	146.3	69%	0.692	75%	0.749	S	S	*	*			trans	107.5	98.3	154.4	-148.7	154.2	41.7	0	0	113.1
726	Q	27.8	Very low	27	Very low	145 Å²	145	142.7 Å²	142.7	68%	0.678	74%	0.736	S	S	*	*				92.4	171.7	70.3	-161.1	-164.4	-59.8	0	0	110.6
727	D	26.9	Very low	26.9	Very low	102 Å²	102	141.6 Å²	141.6	55%	0.545	73%	0.733	S	S	.	*			trans	81.9	104.2	165	-70.2	-2.7	0	0	0	119.8
728	F	26.7	Very low	26.6	Very low	174 Å²	174	145.2 Å²	145.2	76%	0.763	74%	0.741	S	S	*	*			trans	44.3	112.6	138.8	-50.8	-66.9	0	0	0	119.2
729	S	27.6	Very low	26.6	Very low	122 Å²	122	140.8 Å²	140.8	85%	0.853	73%	0.73	S	S	*	*				60.7	83.2	57.3	-160.4	0	0	0	0	113.9
730	G	26.3	Very low	26.6	Very low	68 Å²	68	139.3 Å²	139.3	70%	0.701	73%	0.725	S	S	*	*			trans	165.4	148.4	162.8	0	0	0	0	0	111.7
731	K	25.3	Very low	26.7	Very low	180 Å²	180	138.2 Å²	138.2	78%	0.783	72%	0.724	S	S	*	*			cis	-173	150.6	-6.2	-129	169.6	179.4	172.9	0	108.3
732	M	25.3	Very low	26.6	Very low	139 Å²	139	137 Å²	137	69%	0.685	72%	0.721	S	S	*	*			trans	64.8	120.9	150	-73.9	151.1	60.1	0	0	116.5
733	Q	25.5	Very low	26.9	Very low	157 Å²	157	139.2 Å²	139.2	73%	0.734	73%	0.725	S	S	*	*				60.3	104.4	85.8	174.8	-171.1	7.5	0	0	110.1
734	D	26.4	Very low	27.2	Very low	140 Å²	140	137.7 Å²	137.7	75%	0.749	72%	0.718	S	S	*	*				-148.5	167.6	69.5	-95.3	-40.7	0	0	0	115.3
735	L	28	Very low	27.1	Very low	159 Å²	159	141.4 Å²	141.4	83%	0.832	73%	0.727	S	S	*	*			trans	-109	138.4	153.6	-168.4	83.4	0	0	0	106.3
736	P	37	Very low	27.2	Very low	92 Å²	92	139.1 Å²	139.1	60%	0.597	72%	0.716	S	S	*	*				-146.3	168.3	113.3	40.1	-26.6	0	0	0	114.5
737	E	24.6	Very low	27.3	Very low	164 Å²	164	142.6 Å²	142.6	77%	0.766	73%	0.725	S	S	*	*			trans	50.8	109.7	140.1	-71.5	155.3	-169	0	0	118.3
738	E	24.8	Very low	27.4	Very low	180 Å²	180	144.1 Å²	144.1	84%	0.841	73%	0.727	S	S	*	*				72.3	148.2	92.2	-78.1	-157.2	177.2	0	0	114.3
739	S	24.9	Very low	27.3	Very low	83 Å²	83	141.9 Å²	141.9	58%	0.58	73%	0.727	S	S	*	*			cis	-175.2	-170.5	-15.6	60.8	0	0	0	0	106.3
740	S	26.4	Very low	27.3	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	72%	0.72	S	S	*	*			trans	71.2	135.3	167.9	-49.4	0	0	0	0	116.2
741	L	29	Very low	27.8	Very low	145 Å²	145	144.3 Å²	144.3	76%	0.759	72%	0.723	S	S	*	*			cis	-132.7	153.9	-9.2	-67.7	106.1	0	0	0	107.1
742	E	26.3	Very low	28.4	Very low	157 Å²	157	141.6 Å²	141.6	73%	0.734	72%	0.724	S	S	*	*			cis	82.6	142.2	33.9	-160.7	172.2	-153.7	0	0	115.5
743	Y	29.1	Very low	28.4	Very low	188 Å²	188	138.5 Å²	138.5	74%	0.737	73%	0.728	S	S	*	*			trans	78.5	140.8	-175	-72.2	-92.5	0	0	0	118.7
744	Q	31.3	Very low	28.5	Very low	124 Å²	124	138 Å²	138	58%	0.579	74%	0.736	S	S	*	*			cis	-178.4	150.7	-46.7	-120.5	-153	-6.7	0	0	109.1	E746	Q744-E746 PolarHBondContact NE2-OE2 3.3Å
745	Q	23.8	Very low	28.6	Very low	197 Å²	197	139.4 Å²	139.4	92%	0.921	74%	0.738	S	S	*	*			trans	-155.2	101.3	136.8	-165.7	146.3	94.7	0	0	111.2
746	E	29.3	Very low	28.5	Very low	101 Å²	101	138.1 Å²	138.1	47%	0.472	74%	0.736	S	S	.	*			trans	-84.4	159.6	164.4	-68.5	177.2	104.1	0	0	110.7	Q744 F748	Q744-E746 PolarHBondContact NE2-OE2 3.3Å; E746-F748 HydrophobicContact CB-CE2 4.33Å
747	Y	27.8	Very low	28.2	Very low	218 Å²	218	139.3 Å²	139.3	86%	0.855	75%	0.747	S	S	*	*				-161.2	104.7	126.6	-113.1	-73.9	0	0	0	112.6
748	F	29.8	Very low	28.2	Very low	133 Å²	133	140.2 Å²	140.2	58%	0.583	75%	0.752	S	S	*	*			trans	19.6	149.4	141.7	-60.7	-85.3	0	0	0	121.1	E746	E746-F748 HydrophobicContact CB-CE2 4.33Å
749	V	24.1	Very low	28.2	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	75%	0.746	S	S	*	*			cis	-148.7	127.1	42.7	176.5	0	0	0	0	113.8
750	T	27.9	Very low	28.3	Very low	116 Å²	116	140.8 Å²	140.8	71%	0.712	75%	0.753	S	S	*	*			trans	22.3	137	141.3	-20.9	0	0	0	0	123.6
751	T	36.3	Very low	28.3	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	76%	0.755	S	S	*	*			trans	-73.2	-170.8	158.6	53.6	0	0	0	0	111.4
752	P	38.1	Very low	28	Very low	124 Å²	124	141.5 Å²	141.5	81%	0.805	75%	0.753	S	S	*	*			cis	-146.1	-164.9	14.1	46.6	-25.9	0	0	0	116.8
753	G	25.5	Very low	27.8	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	76%	0.758	S	S	*	*			trans	105.1	94.5	132.9	0	0	0	0	0	119.3
754	T	29	Very low	27.7	Very low	147 Å²	147	140.6 Å²	140.6	90%	0.902	76%	0.761	S	S	*	*			trans	-46.6	138	165.4	-37.9	0	0	0	0	116.4
755	E	27.2	Very low	27.7	Very low	170 Å²	170	141.2 Å²	141.2	79%	0.794	77%	0.773	S	S	*	*			trans	-157.5	134.2	141.8	68.1	178.3	126.2	0	0	116.8
756	T	26.2	Very low	28.3	Very low	131 Å²	131	137.1 Å²	137.1	80%	0.804	76%	0.764	S	S	*	*			trans	66.2	163.4	152.9	62.1	0	0	0	0	123
757	S	30.5	Very low	28.1	Very low	118 Å²	118	137.3 Å²	137.3	83%	0.825	78%	0.776	S	S	*	*			trans	-119.1	160.9	-174.3	-36.9	0	0	0	0	110.9
758	E	25.3	Very low	28.1	Very low	183 Å²	183	132.3 Å²	132.3	86%	0.855	77%	0.773	S	S	*	*				-179.5	158	127.1	-172.3	160.7	174.8	0	0	112.2
759	T	24.9	Very low	28.4	Very low	117 Å²	117	132.1 Å²	132.1	72%	0.718	79%	0.785	S	S	*	*			trans	-76.1	135.3	176.9	-56.2	0	0	0	0	112.8
760	Q	27.4	Very low	28.3	Very low	157 Å²	157	131 Å²	131	73%	0.734	78%	0.783	S	S	*	*				179.2	125.5	129.2	-101.8	167.9	97.5	0	0	118
761	K	25	Very low	28.3	Very low	177 Å²	177	135.3 Å²	135.3	77%	0.77	79%	0.792	S	S	*	*				61.2	97.2	119.6	-166.1	-178.6	176.7	-175.8	0	121.2
762	A	23	Very low	27.7	Very low	88 Å²	88	135.5 Å²	135.5	73%	0.727	79%	0.793	S	S	*	*				75.6	132.5	126.5	0	0	0	0	0	122.8
763	M	22.8	Very low	27.6	Very low	171 Å²	171	134.3 Å²	134.3	84%	0.842	79%	0.785	S	S	*	*			trans	63.6	112.9	135.1	-172.2	-179.1	72.7	0	0	119.7
764	I	27.2	Very low	27.5	Very low	155 Å²	155	139 Å²	139	80%	0.795	79%	0.788	S	S	*	*				-156.8	139.8	124.3	-100.1	147.8	0	0	0	109.6
765	V	30.3	Very low	27.2	Very low	138 Å²	138	140.6 Å²	140.6	84%	0.836	79%	0.785	S	S	*	*			trans	-121.9	127	172.8	164.9	0	0	0	0	107
766	P	36.2	Very low	27.2	Very low	111 Å²	111	139.4 Å²	139.4	72%	0.721	79%	0.789	S	S	*	*				-146.1	169.9	114.9	33.4	-14.9	0	0	0	112.7
767	S	24.7	Very low	27.2	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	79%	0.789	S	S	*	*			cis	-155.7	139.4	1.3	38.6	0	0	0	0	111
768	S	29.3	Very low	26.9	Very low	113 Å²	113	139.3 Å²	139.3	79%	0.79	79%	0.788	S	S	*	*			trans	-77.3	166.9	151.7	-44.8	0	0	0	0	110.4
769	P	36.4	Very low	27.9	Very low	128 Å²	128	136.2 Å²	136.2	83%	0.831	78%	0.784	S	S	*	*				-136.6	131.4	113.4	35.2	-24.7	0	0	0	114.5
770	S	22.1	Very low	27.8	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	78%	0.783	S	S	*	*			trans	-49.7	149.5	167.2	52.7	0	0	0	0	115.9
771	K	27.7	Very low	27.7	Very low	206 Å²	206	135.6 Å²	135.6	90%	0.896	79%	0.787	S	S	*	*			trans	-158	121.3	135.3	-118.4	-177.4	179.5	-172.9	0	114.7
772	T	23.7	Very low	27.9	Very low	128 Å²	128	135.7 Å²	135.7	79%	0.785	79%	0.791	S	S	*	*			trans	-78.6	174.2	150	40.1	0	0	0	0	109.2
773	P	35.3	Very low	28.1	Very low	99 Å²	99	139.6 Å²	139.6	64%	0.643	79%	0.794	S	S	*	*			cis	-147.7	-166.6	29.6	47	-26.6	0	0	0	117.6
774	E	23.9	Very low	28.5	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.804	79%	0.79	S	S	*	*			trans	65.7	117.1	163.7	-68.9	161.5	141.7	0	0	115.9
775	E	22.7	Very low	28.2	Very low	181 Å²	181	140.3 Å²	140.3	85%	0.846	79%	0.793	S	S	*	*			cis	82.6	100.6	42.6	-167.6	-176	159.5	0	0	113.8
776	V	26.9	Very low	27.9	Very low	145 Å²	145	144.6 Å²	144.6	88%	0.879	80%	0.796	S	S	*	*			trans	-167.6	153.8	143.4	134.7	0	0	0	0	108.9
777	S	26.5	Very low	27.4	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	80%	0.797	S	S	*	*			trans	-81.3	167.6	-169.4	-50	0	0	0	0	116.3
778	T	23.5	Very low	27.4	Very low	133 Å²	133	148.1 Å²	148.1	82%	0.816	80%	0.795	S	S	*	*			trans	-73.4	-171.9	166.2	58.4	0	0	0	0	111.9
779	P	45.7	Very low	27.1	Very low	117 Å²	117	148.1 Å²	148.1	76%	0.76	79%	0.791	S	S	*	*			cis	-132	-175.5	-6.9	40.6	-23.3	0	0	0	114.6
780	A	23.5	Very low	27.2	Very low	85 Å²	85	147.9 Å²	147.9	70%	0.702	79%	0.789	S	S	*	*				161.7	150.3	125.9	0	0	0	0	0	114.6
781	E	26.1	Very low	27.3	Very low	176 Å²	176	149.5 Å²	149.5	82%	0.822	79%	0.794	S	S	*	*			trans	60.4	112.1	156.9	-68.6	168.6	-163.5	0	0	121.2
782	E	28.8	Very low	27.3	Very low	180 Å²	180	145 Å²	145	84%	0.841	79%	0.789	S	S	*	*				38	156.3	105	-59.5	-174.5	156.9	0	0	120
783	E	27.1	Very low	27.4	Very low	169 Å²	169	144 Å²	144	79%	0.79	79%	0.787	S	S	*	*			cis	-151	-167.7	25.7	-146.7	-153	139.1	0	0	114
784	K	30.3	Very low	27.2	Very low	176 Å²	176	147.7 Å²	147.7	77%	0.765	80%	0.796	S	S	*	*			trans	-85.4	168.8	-175.8	-57.1	165.6	-178.2	167	0	113.5
785	L	22.5	Very low	27.7	Very low	165 Å²	165	151.1 Å²	151.1	86%	0.864	80%	0.801	S	S	*	*			trans	-143.3	126.1	139.9	-80.4	-176.5	0	0	0	110.9
786	Y	22.4	Very low	28	Very low	229 Å²	229	146.2 Å²	146.2	90%	0.898	80%	0.799	S	S	*	*			trans	-152.6	150.8	161.8	-109.2	-78.4	0	0	0	109.6
787	L	26.4	Very low	28	Very low	143 Å²	143	142.9 Å²	142.9	75%	0.749	79%	0.794	S	S	*	*			trans	-151.2	147.2	-172.5	-78.4	178	0	0	0	107.5
788	Q	24.9	Very low	28.6	Very low	147 Å²	147	143.2 Å²	143.2	69%	0.687	80%	0.797	S	S	*	*			cis	-172.3	136.7	-9.3	-161.5	-161.9	-62.8	0	0	111.2
789	T	23.7	Very low	29.6	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.693	79%	0.794	S	S	*	*			trans	62	168.4	153.1	41.1	0	0	0	0	119.9
790	P	37.3	Very low	29	Very low	122 Å²	122	144.8 Å²	144.8	79%	0.792	80%	0.798	S	S	*	*			cis	-126	-164.1	9.3	43.2	-26.6	0	0	0	116.4
791	T	23.8	Very low	29.4	Very low	139 Å²	139	148 Å²	148	85%	0.853	80%	0.802	S	S	*	*			trans	-151	156.9	-166.9	53	0	0	0	0	113.8
792	S	27.6	Very low	29.4	Very low	113 Å²	113	148.9 Å²	148.9	79%	0.79	81%	0.806	S	S	*	*			trans	-149.9	116.8	159.5	51.4	0	0	0	0	110.3
793	S	26.2	Very low	29.5	Very low	105 Å²	105	148.6 Å²	148.6	73%	0.734	81%	0.805	S	S	*	*				76.4	89.4	82.2	-166.3	0	0	0	0	112.1
794	E	30.5	Very low	30.5	Very low	177 Å²	177	145.8 Å²	145.8	83%	0.827	80%	0.801	S	S	*	*				75.6	134.3	82.8	-167	-176.8	149.8	0	0	112.9
795	R	35.5	Very low	30.2	Very low	245 Å²	245	146.6 Å²	146.6	93%	0.925	81%	0.808	S	S	*	*			cis	154.4	137.1	-19.8	163.5	-173.9	-91.2	-130.2	0.8	105.4
796	G	29.7	Very low	30.3	Very low	78 Å²	78	146.9 Å²	146.9	80%	0.804	81%	0.805	S	S	*	*			trans	146.3	140.4	164.1	0	0	0	0	0	113.8
797	G	27	Very low	31	Very low	75 Å²	75	140.4 Å²	140.4	77%	0.773	79%	0.791	S	S	*	*			cis	-175.2	176.1	-3	0	0	0	0	0	111.9
798	S	37.6	Very low	30.8	Very low	121 Å²	121	138.5 Å²	138.5	85%	0.846	79%	0.789	S	S	*	*			trans	-125.6	147.5	-174	-48.8	0	0	0	0	113.4
799	P	45.5	Very low	30.8	Very low	116 Å²	116	139.6 Å²	139.6	75%	0.753	79%	0.794	S	S	*	*			trans	-123	132.4	152.1	8.6	14	0	0	0	111.4
800	I	31.6	Very low	30.8	Very low	166 Å²	166	142.1 Å²	142.1	85%	0.851	80%	0.798	S	S	*	*				83.1	136	71.7	-69.9	169.2	0	0	0	113.7
801	I	32.7	Very low	30.1	Very low	152 Å²	152	145.2 Å²	145.2	78%	0.779	79%	0.794	S	S	*	*			trans	-115.5	145.3	-168.9	-63.4	167.7	0	0	0	111.3
802	Q	26	Very low	30.2	Very low	195 Å²	195	144.8 Å²	144.8	91%	0.911	78%	0.782	S	S	*	*			trans	-156.5	137.2	152.9	-118	168.4	36.8	0	0	113
803	E	30.3	Very low	30	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	78%	0.782	S	S	*	*			trans	-109.2	-171	164.9	-39	179.2	106.2	0	0	108.9
804	P	49.9	Very low	30	Very low	110 Å²	110	147.5 Å²	147.5	71%	0.714	78%	0.783	S	S	*	*			cis	-131.9	169.2	-18.6	37.7	-21.6	0	0	0	114.2
805	E	22.6	Very low	29.8	Very low	194 Å²	194	144.1 Å²	144.1	91%	0.907	78%	0.779	S	S	*	*				166.9	148	126.6	-93.4	-158.9	122.6	0	0	113
806	E	25	Very low	30	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.794	77%	0.768	S	S	*	*			trans	-104.8	-179.5	172.3	-123.6	-141.6	115.5	0	0	109.1
807	P	38.1	Very low	30	Very low	94 Å²	94	144.9 Å²	144.9	61%	0.61	77%	0.771	S	S	*	*			cis	-137.6	-178.5	1.8	41.3	-23.4	0	0	0	116.8
808	S	22.3	Very low	30.3	Very low	102 Å²	102	150.2 Å²	150.2	71%	0.713	77%	0.773	S	S	*	*			trans	98.6	148.5	134.6	77.4	0	0	0	0	123.9
809	E	23.5	Very low	29.9	Very low	170 Å²	170	151.3 Å²	151.3	79%	0.794	78%	0.775	S	S	*	*			trans	77.5	92	159.1	-53.6	-144.2	135.1	0	0	121.9
810	H	23.3	Very low	29	Very low	166 Å²	166	150.6 Å²	150.6	77%	0.769	77%	0.772	S	S	*	*				58.1	112.6	120.2	-78.7	-60.6	0	0	0	122.9
811	R	23.7	Very low	28.9	Very low	188 Å²	188	150.5 Å²	150.5	71%	0.709	77%	0.773	S	S	*	*				83.1	122.3	110.9	-171.3	179	178.5	-125.8	-14.9	120.5
812	E	24.7	Very low	28.9	Very low	130 Å²	130	149.3 Å²	149.3	61%	0.607	77%	0.772	S	S	*	*			trans	70.3	151.2	155.4	-72.9	165.1	-165.7	0	0	117.5
813	E	25.1	Very low	29.2	Very low	168 Å²	168	147 Å²	147	79%	0.785	77%	0.765	S	S	*	*			cis	-152.9	174.8	4.7	-139.6	-172.6	159	0	0	113.3
814	S	25.5	Very low	29.2	Very low	107 Å²	107	144 Å²	144	75%	0.748	76%	0.758	S	S	*	*			trans	83.6	99.6	152.8	72.2	0	0	0	0	121
815	S	26.2	Very low	28.4	Very low	106 Å²	106	148 Å²	148	74%	0.741	77%	0.767	S	S	*	*			trans	-64.1	172.5	146.4	-176.2	0	0	0	0	110.4
816	P	39.6	Very low	28.7	Very low	107 Å²	107	143.5 Å²	143.5	70%	0.695	76%	0.757	S	S	*	*				-156.1	147.5	100.7	42.2	-24.3	0	0	0	118.1
817	R	28.9	Very low	29.1	Very low	231 Å²	231	140.1 Å²	140.1	87%	0.872	76%	0.758	S	S	*	*			trans	86.7	157.1	150.1	-46.5	-152.6	177.8	158.3	3.1	120.1
818	K	33.7	Very low	28.7	Very low	188 Å²	188	142 Å²	142	82%	0.817	76%	0.763	S	S	*	*			cis	179.2	120.5	-40.4	-144.2	-178.9	-176.2	-174.5	0	109.5
819	T	30.1	Very low	29.1	Very low	144 Å²	144	142.9 Å²	142.9	88%	0.883	76%	0.76	S	S	*	*			trans	174.2	156	145.1	29.7	0	0	0	0	109.4
820	S	25.4	Very low	29.4	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	76%	0.756	S	S	*	*			cis	174.3	106.5	-29.8	164.9	0	0	0	0	108.4
821	L	30.3	Very low	30.2	Very low	164 Å²	164	139 Å²	139	86%	0.859	75%	0.751	S	S	*	*			trans	-170.5	159.9	141.3	-104.3	165.7	0	0	0	111.3
822	V	32.1	Very low	30.5	Very low	126 Å²	126	137.7 Å²	137.7	76%	0.764	75%	0.752	S	S	*	*			trans	-163.4	167.9	-171.3	-116.5	0	0	0	0	107.2
823	I	33.3	Very low	30.6	Very low	147 Å²	147	138.4 Å²	138.4	75%	0.754	77%	0.766	S	S	*	*			cis	-148	178.1	18.6	14.1	170.6	0	0	0	107.1
824	V	29.6	Very low	30.9	Very low	111 Å²	111	136.3 Å²	136.3	67%	0.673	77%	0.769	S	S	*	*			cis	-150.1	147.9	23.9	-149.1	0	0	0	0	110.4
825	E	33.3	Very low	31.1	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	78%	0.778	S	S	*	*			trans	-118.4	147.1	146.8	-174.6	179.2	-170.8	0	0	108.2
826	S	29.4	Very low	31.4	Very low	100 Å²	100	146.1 Å²	146.1	70%	0.699	78%	0.782	S	S	*	*			trans	-128	92	-170.3	-64.8	0	0	0	0	114.1
827	A	33.2	Very low	31	Very low	98 Å²	98	147.4 Å²	147.4	81%	0.81	78%	0.782	S	S	*	*			trans	52.4	153.9	144.3	0	0	0	0	0	119.7
828	D	29	Very low	31.2	Very low	135 Å²	135	142.5 Å²	142.5	72%	0.722	77%	0.773	S	S	*	*			cis	-163.1	160.3	25.5	-164.4	23.8	0	0	0	113.2
829	N	31.7	Very low	31.3	Very low	120 Å²	120	142.5 Å²	142.5	64%	0.642	78%	0.776	S	S	*	*			trans	38.4	116.7	163.1	-78.2	-62.1	0	0	0	120.8
830	Q	30.5	Very low	31.7	Very low	153 Å²	153	142 Å²	142	72%	0.715	77%	0.768	S	S	*	*				73.3	148.3	63.1	-70.4	-93.5	-69.8	0	0	116.1
831	P	39.8	Very low	32.4	Very low	101 Å²	101	141.9 Å²	141.9	66%	0.656	77%	0.773	S	S	*	*			cis	-140.6	166.3	-26.2	38.1	-20.1	0	0	0	117
832	E	30.1	Very low	32.8	Very low	160 Å²	160	137.7 Å²	137.7	75%	0.748	76%	0.762	S	S	*	*			trans	2.8	133.8	152.7	-62.5	161.1	-144.3	0	0	122.7
833	T	26.5	Very low	33.1	Very low	146 Å²	146	140.4 Å²	140.4	90%	0.896	76%	0.764	S	S	*	*				-149	140.8	117.5	46.3	0	0	0	0	109.9
834	C	31.9	Very low	33.6	Very low	124 Å²	124	142.5 Å²	142.5	84%	0.838	77%	0.77	S	S	*	*			trans	-83.9	151.2	-165.9	-41	0	0	0	0	115.9
835	E	29.1	Very low	34.2	Very low	201 Å²	201	146.1 Å²	146.1	94%	0.939	78%	0.777	S	S	*	*			trans	-134.6	-173.8	145.1	-159.2	145.5	-142.3	0	0	108.7
836	R	31.1	Very low	34.3	Very low	217 Å²	217	140.5 Å²	140.5	82%	0.819	77%	0.771	S	S	*	*			trans	-133.2	149.4	-148.5	-170.1	-159.5	-179.2	-179.1	-1	112.3
837	L	32.2	Very low	35.2	Very low	135 Å²	135	141.2 Å²	141.2	71%	0.707	77%	0.767	S	S	*	*			trans	72.4	148.3	178.6	-47.8	178.3	0	0	0	112.7
838	D	32.1	Very low	36	Very low	127 Å²	127	143.7 Å²	143.7	68%	0.679	77%	0.767	S	S	*	*			cis	-133.4	162.7	8.4	-77.3	-68.6	0	0	0	111.5
839	E	37.1	Very low	37.3	Very low	189 Å²	189	141.7 Å²	141.7	88%	0.883	75%	0.754	S	S	*	*			trans	-102.5	9.8	173.8	59.8	-166.6	87.9	0	0	114.4	A841	E839-A841 PolarHBondContact O-N 2.92Å
840	D	37.9	Very low	38.4	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	75%	0.752	S	S	*	*			trans	-70	13.6	179	-86.8	-30.1	0	0	0	115.4	A842	D840-A842 VanDerWaalsContact C-N 3.29Å; D840-A842 PolarHBondContact O-N 3.4Å
841	A	39.7	Very low	39.7	Very low	98 Å²	98	141.3 Å²	141.3	81%	0.81	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	9.6	-178.1	0	0	0	0	0	114.5	E839	E839-A841 PolarHBondContact O-N 2.92Å
842	A	39.3	Very low	40.6	Very low	76 Å²	76	139.1 Å²	139.1	63%	0.628	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	-13	-172.5	0	0	0	0	0	115.3	D840	D840-A842 VanDerWaalsContact C-N 3.29Å; D840-A842 PolarHBondContact O-N 3.4Å
843	F	38.3	Very low	41.8	Very low	184 Å²	184	136 Å²	136	81%	0.807	73%	0.733	S	S	*	*	S	Bend	trans	-106.3	-7.1	-173.6	-72.4	-75.4	0	0	0	115.3	K845	F843-K845 PolarHBondContact O-N 3.44Å
844	E	43.1	Very low	43.3	Very low	190 Å²	190	134 Å²	134	89%	0.888	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.2	42.7	178.6	-156.9	178.3	-156.7	0	0	112.8
845	K	42	Very low	44.7	Very low	187 Å²	187	134 Å²	134	81%	0.813	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.2	11.1	-174.3	-96.9	-69.2	164.4	-162.2	0	115.9	F843	F843-K845 PolarHBondContact O-N 3.44Å
846	G	35.8	Very low	45.9	Very low	76 Å²	76	130.4 Å²	130.4	78%	0.784	70%	0.701	S	S	*	*	S	Bend	trans	-108.6	-26.5	-176.9	0	0	0	0	0	117.4
847	D	49.6	Very low	47.5	Very low	116 Å²	116	121.9 Å²	121.9	62%	0.62	67%	0.674	S	S	*	*			trans	-119.3	53.3	-170.8	-168.4	19.4	0	0	0	112.5	M849	D847-M849 VanDerWaalsContact C-N 3.33Å; D847-M849 PolarHBondContact O-N 2.84Å
848	D	49.3	Very low	49.5	Very low	149 Å²	149	118.4 Å²	118.4	80%	0.797	66%	0.658	S	S	*	*			trans	-96.2	64.9	168	-163.8	13	0	0	0	109.2
849	M	55.7	Low	51.9	Low	93 Å²	93	117.9 Å²	117.9	46%	0.458	65%	0.651	S	S	.	*			trans	-58.3	117.8	179.5	178.5	65.5	62.8	0	0	110.1	D847 E851 R880 Y882	D847-M849 VanDerWaalsContact C-N 3.33Å; D847-M849 PolarHBondContact O-N 2.84Å; M849-E851 PolarHBondContact O-N 2.85Å; M849-R880 PolarHBondContact O-NH2 2.96Å; M849-Y882 HydrophobicContact CB-CE1 4.42Å
850	P	56.3	Low	53.9	Low	93 Å²	93	112.7 Å²	112.7	60%	0.604	63%	0.627	S	S	*	*			trans	-53	135.8	-166.7	16.8	-31.1	0	0	0	113.1	I852 R880	P850-I852 PolarHBondContact O-N 2.91Å; P850-R880 PolarHBondContact O-NH2 2.64Å
851	E	56.2	Low	56.1	Low	172 Å²	172	113 Å²	113	80%	0.804	62%	0.624	S	S	*	*			trans	-69.8	97.1	176.2	-169.9	177.7	-167.3	0	0	109.5	M849 P853	M849-E851 PolarHBondContact O-N 2.85Å; E851-P853 WeakPolarHBondContact O-CD 3.41Å; E851-P853 VanDerWaalsContact O-N 3.11Å
852	I	58.8	Low	58.2	Low	56 Å²	56	114 Å²	114	29%	0.287	61%	0.608	S	S	.	*			trans	-57.6	115.8	-177.7	-54.3	179.1	0	0	0	108.9	P850 R876 I878	P850-I852 PolarHBondContact O-N 2.91Å; I852-R876 VanDerWaalsContact CG2-NH2 3.27Å; I852-I878 HydrophobicContact CB-CD1 4.34Å; I852-I878 HydrophobicContact CD1-CG2 4.4Å; I852-I878 HydrophobicContact CG2-CD1 4.45Å
853	P	55.8	Low	60.5	Low	95 Å²	95	116.1 Å²	116.1	62%	0.617	61%	0.607	S	S	*	*			trans	-66.2	155.2	-168.4	24.3	-34.1	0	0	0	112.4	E851 E855 R876	E851-P853 WeakPolarHBondContact O-CD 3.41Å; E851-P853 VanDerWaalsContact O-N 3.11Å; P853-E855 VanDerWaalsContact C-N 3.33Å; P853-E855 PolarHBondContact O-N 3.42Å; P853-R876 PolarHBondContact O-NH1 3.21Å; P853-R876 VanDerWaalsContact O-NH1 3.08Å
854	P	57.7	Low	62.5	Low	102 Å²	102	109.6 Å²	109.6	66%	0.662	58%	0.581	S	S	*	*			trans	-69.9	85.5	-178.2	29.2	-35.7	0	0	0	112.3	T856	P854-T856 PolarHBondContact O-N 2.93Å
855	E	61.7	Low	64.3	Low	126 Å²	126	109.3 Å²	109.3	59%	0.589	58%	0.58	S	S	*	*			trans	-59.5	129.6	170.4	-170.2	178.2	-163.8	0	0	110	P853 V857 R876	P853-E855 VanDerWaalsContact C-N 3.33Å; P853-E855 PolarHBondContact O-N 3.42Å; E855-V857 PolarHBondContact O-N 2.97Å; E855-R876 IonicContact OE2-CZ 3.72Å; E855-R876 IonicContact OE2-NE 3.77Å; E855-R876 PolarHBondContact OE2-NE 2.81Å; E855-R876 IonicContact OE2-NH1 3.71Å; E855-R876 IonicContact OE2-NH2 3.15Å
856	T	54.7	Low	66.1	Low	124 Å²	124	106.9 Å²	106.9	76%	0.761	57%	0.571	S	S	*	*			trans	-76.7	93.6	-168.1	51.2	0	0	0	0	112.1	P854 T858	P854-T856 PolarHBondContact O-N 2.93Å; T856-T858 PolarHBondContact O-N 2.88Å; T856-T858 VanDerWaalsContact O-N 3.14Å
857	V	65.2	Low	68.3	Low	39 Å²	39	105.9 Å²	105.9	24%	0.236	56%	0.561	C	S	.	*			trans	-48	113	166.6	161.5	0	0	0	0	111.1	E855 V874 T875 R876 Q896	E855-V857 PolarHBondContact O-N 2.97Å; V857-V874 WeakPolarHBondContact CA-O 3.41Å; V857-V874 WeakPolarHBondContact CB-O 3.26Å; V857-V874 VanDerWaalsContact CG1-O 3.23Å; V857-V874 WeakPolarHBondContact CG1-O 3.4Å; V857-V874 VanDerWaalsContact CG2-O 3.28Å; V857-V874 WeakPolarHBondContact CG2-O 3.36Å; V857-T875 HydrophobicContact CG1-CG2 4.4Å; V857-R876 HydrophobicContact CG2-CB 4.32Å; V857-Q896 WeakPolarHBondContact CG2-O 3.32Å
858	T	73	Confident	69.8	Low	61 Å²	61	105.1 Å²	105.1	37%	0.374	55%	0.553	S	S	.	*			trans	-90.8	151.8	178.5	58.6	0	0	0	0	112.4	T856 V874	T856-T858 PolarHBondContact O-N 2.88Å; T856-T858 VanDerWaalsContact O-N 3.14Å; T858-V874 PolarHBondContact O-N 2.86Å
859	E	81.8	Confident	71.2	Confident	116 Å²	116	102 Å²	102	54%	0.542	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	109	167.5	-168.2	160.6	163.4	0	0	107.5	V871 K872 K873	E859-V871 HydrophobicContact CG-CG1 3.72Å; E859-K872 WeakPolarHBondContact CA-O 3.34Å; E859-K873 HydrophobicContact CB-CG 4.4Å; E859-K873 HydrophobicContact CG-CB 4.22Å; E859-K873 HydrophobicContact CG-CG 4.21Å; E859-K873 WeakPolarHBondContact OE2-CD 3.1Å; E859-K873 WeakPolarHBondContact OE2-CE 3.45Å; E859-K873 IonicContact OE2-NZ 3.37Å; E859-K873 PolarHBondContact OE2-NZ 2.92Å
860	E	79.3	Confident	72.5	Confident	81 Å²	81	99.8 Å²	99.8	38%	0.379	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	111.3	-176.4	-68.2	168.1	-152.3	0	0	108.9	K872	E860-K872 HydrophobicContact CB-CB 4.31Å; E860-K872 PolarHBondContact N-O 2.87Å; E860-K872 PolarHBondContact O-N 2.82Å; E860-K872 IonicContact OE1-NZ 2.68Å; E860-K872 PolarHBondContact OE1-NZ 2.84Å; E860-K872 WeakPolarHBondContact OE2-CD 3.48Å; E860-K872 WeakPolarHBondContact OE2-CE 3.27Å; E860-K872 IonicContact OE2-NZ 2.99Å; E860-K872 PolarHBondContact OE2-NZ 3.45Å
861	E	85.7	Confident	73.7	Confident	138 Å²	138	99.1 Å²	99.1	65%	0.645	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.7	169.3	-170.9	-178	164.5	0	0	109.4	T869 V871	E861-T869 HydrophobicContact CG-CG2 3.58Å; E861-T869 WeakPolarHBondContact OE1-CG2 3.44Å; E861-V871 HydrophobicContact CG-CG2 4.25Å
862	Y	82.3	Confident	74.9	Confident	121 Å²	121	95.4 Å²	95.4	48%	0.475	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.4	173.3	65.6	-87.2	0	0	0	111	V870 K872	Y862-V870 HydrophobicContact CD1-CB 4.3Å; Y862-V870 HydrophobicContact CD2-CB 4.15Å; Y862-V870 HydrophobicContact CE1-CB 3.93Å; Y862-V870 HydrophobicContact CE1-CG1 3.79Å; Y862-V870 HydrophobicContact CE2-CB 3.78Å; Y862-V870 HydrophobicContact CE2-CG1 4.13Å; Y862-V870 HydrophobicContact CE2-CG2 4.08Å; Y862-V870 HydrophobicContact CG-CB 4.42Å; Y862-V870 PolarHBondContact N-O 3.42Å; Y862-V870 PolarHBondContact O-N 2.72Å; Y862-V870 WeakPolarHBondContact OH-CG1 3.41Å; Y862-K872 HydrophobicContact CE1-CB 4.35Å
863	I	87.8	Confident	75.9	Confident	120 Å²	120	95.8 Å²	95.8	62%	0.615	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.6	176.1	-60.5	172.4	0	0	0	107.8	H868	I863-H868 CarbonylContact C-O 3.58Å; I863-H868 WeakPolarHBondContact CA-O 3.21Å
864	D	80.3	Confident	77	Confident	47 Å²	47	94.7 Å²	94.7	25%	0.251	50%	0.497	S	S	.	.			trans	-74.3	170.6	178.2	80.9	0.5	0	0	0	112.7	H866 G867 H868 V870	D864-H866 PolarHBondContact O-N 3.15Å; D864-H866 VanDerWaalsContact OD1-C 3.32Å; D864-H866 VanDerWaalsContact OD1-CA 3.32Å; D864-H866 WeakPolarHBondContact OD1-CA 3.4Å; D864-H866 WeakPolarHBondContact OD1-CB 3.45Å; D864-H866 PolarHBondContact OD1-N 2.99Å; D864-G867 PolarHBondContact O-N 3.46Å; D864-G867 PolarHBondContact OD1-N 3.37Å; D864-H868 PolarHBondContact N-O 3.15Å; D864-H868 IonicContact OD1-CG 3.79Å; D864-H868 PolarHBondContact OD1-N 3.3Å; D864-H868 IonicContact OD1-ND1 2.64Å; D864-H868 PolarHBondContact OD1-ND1 2.91Å; D864-H868 IonicContact OD2-CE1 3.34Å; D864-H868 IonicContact OD2-CG 3.99Å; D864-H868 IonicContact OD2-ND1 3.5Å; D864-H868 PolarHBondContact OD2-ND1 2.91Å; D864-V870 HydrophobicContact CB-CG2 4.21Å
865	E	81.6	Confident	77.9	Confident	184 Å²	184	93.6 Å²	93.6	86%	0.86	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.8	179	71.3	-170.3	156.8	0	0	114.3
866	H	80.3	Confident	78.8	Confident	136 Å²	136	90.4 Å²	90.4	63%	0.63	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-7.2	178.5	-62	90.3	0	0	0	112.8	D864 H868	D864-H866 PolarHBondContact O-N 3.15Å; D864-H866 VanDerWaalsContact OD1-C 3.32Å; D864-H866 VanDerWaalsContact OD1-CA 3.32Å; D864-H866 WeakPolarHBondContact OD1-CA 3.4Å; D864-H866 WeakPolarHBondContact OD1-CB 3.45Å; D864-H866 PolarHBondContact OD1-N 2.99Å; H866-H868 VanDerWaalsContact CB-CE1 3.43Å; H866-H868 WeakPolarHBondContact CB-CE1 3.5Å
867	G	81.2	Confident	80	Confident	55 Å²	55	89.6 Å²	89.6	57%	0.567	46%	0.457	S	S	*	.	S	Bend	trans	94.3	12.5	179.2	0	0	0	0	0	115.4	D864	D864-G867 PolarHBondContact O-N 3.46Å; D864-G867 PolarHBondContact OD1-N 3.37Å
868	H	81.3	Confident	80.8	Confident	100 Å²	100	88.4 Å²	88.4	46%	0.463	45%	0.45	S	S	.	.			trans	-88	137.8	175.6	-44	106.8	0	0	0	111.5	I863 D864 H866	I863-H868 CarbonylContact C-O 3.58Å; I863-H868 WeakPolarHBondContact CA-O 3.21Å; D864-H868 PolarHBondContact N-O 3.15Å; D864-H868 IonicContact OD1-CG 3.79Å; D864-H868 PolarHBondContact OD1-N 3.3Å; D864-H868 IonicContact OD1-ND1 2.64Å; D864-H868 PolarHBondContact OD1-ND1 2.91Å; D864-H868 IonicContact OD2-CE1 3.34Å; D864-H868 IonicContact OD2-CG 3.99Å; D864-H868 IonicContact OD2-ND1 3.5Å; D864-H868 PolarHBondContact OD2-ND1 2.91Å; H866-H868 VanDerWaalsContact CB-CE1 3.43Å; H866-H868 WeakPolarHBondContact CB-CE1 3.5Å
869	T	79.2	Confident	81.2	Confident	82 Å²	82	89.2 Å²	89.2	50%	0.503	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.6	165.2	-65.8	0	0	0	0	110.6	E861 V871	E861-T869 HydrophobicContact CG-CG2 3.58Å; E861-T869 WeakPolarHBondContact OE1-CG2 3.44Å; T869-V871 HydrophobicContact CG2-CG2 4.1Å
870	V	82.3	Confident	81.1	Confident	47 Å²	47	86 Å²	86	29%	0.285	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.8	171.9	-173	0	0	0	0	108.6	Y862 D864	Y862-V870 HydrophobicContact CD1-CB 4.3Å; Y862-V870 HydrophobicContact CD2-CB 4.15Å; Y862-V870 HydrophobicContact CE1-CB 3.93Å; Y862-V870 HydrophobicContact CE1-CG1 3.79Å; Y862-V870 HydrophobicContact CE2-CB 3.78Å; Y862-V870 HydrophobicContact CE2-CG1 4.13Å; Y862-V870 HydrophobicContact CE2-CG2 4.08Å; Y862-V870 HydrophobicContact CG-CB 4.42Å; Y862-V870 PolarHBondContact N-O 3.42Å; Y862-V870 PolarHBondContact O-N 2.72Å; Y862-V870 WeakPolarHBondContact OH-CG1 3.41Å; D864-V870 HydrophobicContact CB-CG2 4.21Å
871	V	81.7	Confident	81.3	Confident	79 Å²	79	90.4 Å²	90.4	48%	0.479	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.5	178.5	-176.9	0	0	0	0	109.7	E859 E861 T869	E859-V871 HydrophobicContact CG-CG1 3.72Å; E861-V871 HydrophobicContact CG-CG2 4.25Å; T869-V871 HydrophobicContact CG2-CG2 4.1Å
872	K	82.3	Confident	80.8	Confident	94 Å²	94	86.7 Å²	86.7	41%	0.409	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.5	175.2	170.5	-169.6	154.6	-151.4	0	108.9	E859 E860 Y862 V874	E859-K872 WeakPolarHBondContact CA-O 3.34Å; E860-K872 HydrophobicContact CB-CB 4.31Å; E860-K872 PolarHBondContact N-O 2.87Å; E860-K872 PolarHBondContact O-N 2.82Å; E860-K872 IonicContact OE1-NZ 2.68Å; E860-K872 PolarHBondContact OE1-NZ 2.84Å; E860-K872 WeakPolarHBondContact OE2-CD 3.48Å; E860-K872 WeakPolarHBondContact OE2-CE 3.27Å; E860-K872 IonicContact OE2-NZ 2.99Å; E860-K872 PolarHBondContact OE2-NZ 3.45Å; Y862-K872 HydrophobicContact CE1-CB 4.35Å; K872-V874 HydrophobicContact CG-CG2 4.37Å
873	K	79.6	Confident	80.5	Confident	64 Å²	64	86.2 Å²	86.2	28%	0.278	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.5	179.4	-168.1	-179.5	-176.2	114.4	0	110.9	E859 T875 M898	E859-K873 HydrophobicContact CB-CG 4.4Å; E859-K873 HydrophobicContact CG-CB 4.22Å; E859-K873 HydrophobicContact CG-CG 4.21Å; E859-K873 WeakPolarHBondContact OE2-CD 3.1Å; E859-K873 WeakPolarHBondContact OE2-CE 3.45Å; E859-K873 IonicContact OE2-NZ 3.37Å; E859-K873 PolarHBondContact OE2-NZ 2.92Å; K873-T875 HydrophobicContact CD-CG2 4.31Å; K873-T875 HydrophobicContact CG-CG2 4.18Å; K873-M898 WeakPolarHBondContact CE-O 3.33Å
874	V	78.8	Confident	79.8	Confident	72 Å²	72	82.1 Å²	82.1	44%	0.436	42%	0.418	S	S	.	.			trans	-112.1	82.5	-171.3	-174.3	0	0	0	0	110.8	V857 T858 K872	V857-V874 WeakPolarHBondContact CA-O 3.41Å; V857-V874 WeakPolarHBondContact CB-O 3.26Å; V857-V874 VanDerWaalsContact CG1-O 3.23Å; V857-V874 WeakPolarHBondContact CG1-O 3.4Å; V857-V874 VanDerWaalsContact CG2-O 3.28Å; V857-V874 WeakPolarHBondContact CG2-O 3.36Å; T858-V874 PolarHBondContact O-N 2.86Å; K872-V874 HydrophobicContact CG-CG2 4.37Å
875	T	77.1	Confident	79.1	Confident	80 Å²	80	86.7 Å²	86.7	49%	0.491	45%	0.454	S	S	.	.			trans	-88.6	139.6	-175.8	57.2	0	0	0	0	113.8	V857 K873	V857-T875 HydrophobicContact CG1-CG2 4.4Å; K873-T875 HydrophobicContact CD-CG2 4.31Å; K873-T875 HydrophobicContact CG-CG2 4.18Å
876	R	78.6	Confident	78.6	Confident	59 Å²	59	86.4 Å²	86.4	22%	0.223	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	132.8	175.8	-162.8	179.6	-168.8	-167.2	11.2	111.4	I852 P853 E855 V857 I878 Q896	I852-R876 VanDerWaalsContact CG2-NH2 3.27Å; P853-R876 PolarHBondContact O-NH1 3.21Å; P853-R876 VanDerWaalsContact O-NH1 3.08Å; E855-R876 IonicContact OE2-CZ 3.72Å; E855-R876 IonicContact OE2-NE 3.77Å; E855-R876 PolarHBondContact OE2-NE 2.81Å; E855-R876 IonicContact OE2-NH1 3.71Å; E855-R876 IonicContact OE2-NH2 3.15Å; V857-R876 HydrophobicContact CG2-CB 4.32Å; R876-I878 HydrophobicContact CG-CG1 4.47Å; R876-Q896 HydrophobicContact CB-CB 4.34Å; R876-Q896 PolarHBondContact N-O 3.3Å; R876-Q896 PolarHBondContact O-N 3.08Å
877	K	81.1	Confident	77.7	Confident	107 Å²	107	83.1 Å²	83.1	47%	0.465	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	117.8	166.4	-175.8	-164.3	-179.5	-154.1	0	107.6	I879 E891 I893 V895	K877-I879 HydrophobicContact CD-CD1 3.97Å; K877-I879 HydrophobicContact CD-CG1 3.86Å; K877-I879 VanDerWaalsContact CE-CG1 3.49Å; K877-I879 HydrophobicContact CG-CG1 4.17Å; K877-E891 IonicContact NZ-OE1 2.72Å; K877-I893 HydrophobicContact CD-CG2 4.39Å; K877-I893 HydrophobicContact CG-CG2 4.31Å; K877-V895 HydrophobicContact CG-CG2 4.24Å
878	I	80.9	Confident	76.9	Confident	14 Å²	14	83.8 Å²	83.8	7%	0.072	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.2	168.7	-61.7	170.7	0	0	0	107.3	I852 R876 R880 M894	I852-I878 HydrophobicContact CB-CD1 4.34Å; I852-I878 HydrophobicContact CD1-CG2 4.4Å; I852-I878 HydrophobicContact CG2-CD1 4.45Å; R876-I878 HydrophobicContact CG-CG1 4.47Å; I878-R880 HydrophobicContact CG2-CG 4.13Å; I878-M894 HydrophobicContact CB-CB 4.45Å; I878-M894 HydrophobicContact CD1-CE 4.25Å; I878-M894 PolarHBondContact N-O 3.15Å; I878-M894 PolarHBondContact O-N 3.43Å
879	I	83.1	Confident	76.6	Confident	77 Å²	77	84.2 Å²	84.2	40%	0.395	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.8	173.7	-55.6	173.7	0	0	0	106.2	K877 R881 E891 E892	K877-I879 HydrophobicContact CD-CD1 3.97Å; K877-I879 HydrophobicContact CD-CG1 3.86Å; K877-I879 VanDerWaalsContact CE-CG1 3.49Å; K877-I879 HydrophobicContact CG-CG1 4.17Å; I879-R881 HydrophobicContact CG2-CG 4.32Å; I879-E891 HydrophobicContact CG2-CG 3.54Å; I879-E891 WeakPolarHBondContact CG2-OE1 3.2Å; I879-E892 WeakPolarHBondContact CA-O 3.43Å
880	R	79.4	Confident	76.3	Confident	50 Å²	50	86 Å²	86	19%	0.189	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136	175	-67.5	167.7	150.6	-161.7	-13.2	108	M849 P850 I878 Y882 E891 E892	M849-R880 PolarHBondContact O-NH2 2.96Å; P850-R880 PolarHBondContact O-NH2 2.64Å; I878-R880 HydrophobicContact CG2-CG 4.13Å; R880-Y882 HydrophobicContact CB-CD2 4.24Å; R880-Y882 HydrophobicContact CB-CE2 3.46Å; R880-Y882 VanDerWaalsContact CB-CE2 3.46Å; R880-Y882 WeakPolarHBondContact CD-OH 3.38Å; R880-Y882 HydrophobicContact CG-CE2 4.33Å; R880-E891 CarbonylContact O-C 3.57Å; R880-E891 WeakPolarHBondContact O-CA 3.4Å; R880-E892 HydrophobicContact CB-CB 4.34Å; R880-E892 WeakPolarHBondContact CD-OE2 3.43Å; R880-E892 PolarHBondContact N-O 2.9Å; R880-E892 IonicContact NH1-OE2 2.7Å; R880-E892 PolarHBondContact O-N 3.36Å
881	R	82.1	Confident	76.1	Confident	173 Å²	173	89 Å²	89	65%	0.653	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.5	178.2	-61.4	-170.8	-58.2	135.9	-4.1	108.5	I879 E889 K890 E891	I879-R881 HydrophobicContact CG2-CG 4.32Å; R881-E889 WeakPolarHBondContact CD-OE1 3.23Å; R881-E889 IonicContact CZ-OE1 2.75Å; R881-E889 IonicContact NE-OE1 2.61Å; R881-E889 IonicContact NH1-OE1 2.73Å; R881-E889 PolarHBondContact NH1-OE1 3Å; R881-K890 WeakPolarHBondContact CA-O 3.22Å; R881-E891 HydrophobicContact CG-CB 4.44Å; R881-E891 HydrophobicContact CG-CG 4.24Å
882	Y	76.7	Confident	75.9	Confident	60 Å²	60	89.9 Å²	89.9	24%	0.235	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.1	-176.6	-60.7	-82.7	0	0	0	109.7	M849 R880 E889 K890	M849-Y882 HydrophobicContact CB-CE1 4.42Å; R880-Y882 HydrophobicContact CB-CD2 4.24Å; R880-Y882 HydrophobicContact CB-CE2 3.46Å; R880-Y882 VanDerWaalsContact CB-CE2 3.46Å; R880-Y882 WeakPolarHBondContact CD-OH 3.38Å; R880-Y882 HydrophobicContact CG-CE2 4.33Å; Y882-E889 CarbonylContact O-C 3.59Å; Y882-K890 PolarHBondContact N-O 2.82Å; Y882-K890 PolarHBondContact O-N 3.5Å
883	V	75.5	Confident	75.6	Confident	110 Å²	110	90 Å²	90	67%	0.667	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.9	172.5	-177.2	0	0	0	0	108
884	S	71.8	Confident	75.2	Confident	34 Å²	34	90.4 Å²	90.4	24%	0.238	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.5	173.7	-55.9	0	0	0	0	110.4	E886 G887 T888 K890	S884-E886 CarbonylContact O-C 3.57Å; S884-E886 PolarHBondContact O-N 2.86Å; S884-G887 PolarHBondContact O-N 2.91Å; S884-T888 PolarHBondContact N-O 2.87Å; S884-T888 PolarHBondContact O-N 3.32Å; S884-K890 WeakPolarHBondContact OG-CE 3.36Å; S884-K890 PolarHBondContact OG-NZ 3.07Å
885	S	66.1	Low	74.8	Confident	143 Å²	143	91.7 Å²	91.7	100%	1	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-11.5	-178.8	-34.6	0	0	0	0	115.4	G887	S885-G887 VanDerWaalsContact C-N 3.29Å
886	E	71.3	Confident	74.3	Confident	178 Å²	178	89.5 Å²	89.5	83%	0.832	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	25.5	171.3	-156.7	176.4	176.8	0	0	112.2	S884 T888	S884-E886 CarbonylContact O-C 3.57Å; S884-E886 PolarHBondContact O-N 2.86Å; E886-T888 PolarHBondContact O-N 3.15Å; E886-T888 VanDerWaalsContact O-N 3.07Å; E886-T888 PolarHBondContact O-OG1 3.48Å
887	G	62.6	Low	73.4	Confident	67 Å²	67	88.6 Å²	88.6	69%	0.691	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	10.2	178.9	0	0	0	0	0	115.9	S884 S885	S884-G887 PolarHBondContact O-N 2.91Å; S885-G887 VanDerWaalsContact C-N 3.29Å
888	T	64.3	Low	72	Confident	69 Å²	69	90.4 Å²	90.4	42%	0.423	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.8	-173.5	-58.7	0	0	0	0	111.1	S884 E886 K890	S884-T888 PolarHBondContact N-O 2.87Å; S884-T888 PolarHBondContact O-N 3.32Å; E886-T888 PolarHBondContact O-N 3.15Å; E886-T888 VanDerWaalsContact O-N 3.07Å; E886-T888 PolarHBondContact O-OG1 3.48Å; T888-K890 HydrophobicContact CG2-CG 4.45Å
889	E	73.8	Confident	70.6	Confident	110 Å²	110	95 Å²	95	51%	0.514	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.2	168.8	-174.1	178.5	-169.4	0	0	111.3	R881 Y882	R881-E889 WeakPolarHBondContact CD-OE1 3.23Å; R881-E889 IonicContact CZ-OE1 2.75Å; R881-E889 IonicContact NE-OE1 2.61Å; R881-E889 IonicContact NH1-OE1 2.73Å; R881-E889 PolarHBondContact NH1-OE1 3Å; Y882-E889 CarbonylContact O-C 3.59Å
890	K	73.8	Confident	69.2	Low	118 Å²	118	99 Å²	99	51%	0.513	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.5	175.5	-66.9	170.3	-175.7	153.5	0	109.9	R881 Y882 S884 T888	R881-K890 WeakPolarHBondContact CA-O 3.22Å; Y882-K890 PolarHBondContact N-O 2.82Å; Y882-K890 PolarHBondContact O-N 3.5Å; S884-K890 WeakPolarHBondContact OG-CE 3.36Å; S884-K890 PolarHBondContact OG-NZ 3.07Å; T888-K890 HydrophobicContact CG2-CG 4.45Å
891	E	78.2	Confident	67.6	Low	111 Å²	111	104.7 Å²	104.7	52%	0.519	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.6	121.3	171.9	-171.2	-173	161.8	0	0	110.2	K877 I879 R880 R881 I893	K877-E891 IonicContact NZ-OE1 2.72Å; I879-E891 HydrophobicContact CG2-CG 3.54Å; I879-E891 WeakPolarHBondContact CG2-OE1 3.2Å; R880-E891 CarbonylContact O-C 3.57Å; R880-E891 WeakPolarHBondContact O-CA 3.4Å; R881-E891 HydrophobicContact CG-CB 4.44Å; R881-E891 HydrophobicContact CG-CG 4.24Å; E891-I893 HydrophobicContact CG-CG1 4.04Å; E891-I893 VanDerWaalsContact OE1-CD1 3.26Å; E891-I893 WeakPolarHBondContact OE1-CD1 3.35Å; E891-I893 WeakPolarHBondContact OE1-CG1 3.43Å
892	E	76.8	Confident	65.8	Low	98 Å²	98	102.1 Å²	102.1	46%	0.458	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	131.7	164.3	178.3	-179.5	-125.4	0	0	109.5	I879 R880	I879-E892 WeakPolarHBondContact CA-O 3.43Å; R880-E892 HydrophobicContact CB-CB 4.34Å; R880-E892 WeakPolarHBondContact CD-OE2 3.43Å; R880-E892 PolarHBondContact N-O 2.9Å; R880-E892 IonicContact NH1-OE2 2.7Å; R880-E892 PolarHBondContact O-N 3.36Å
893	I	75.5	Confident	64.6	Low	95 Å²	95	104.9 Å²	104.9	49%	0.487	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.1	116.1	179.2	-64.7	171.6	0	0	0	109.5	K877 E891 V895	K877-I893 HydrophobicContact CD-CG2 4.39Å; K877-I893 HydrophobicContact CG-CG2 4.31Å; E891-I893 HydrophobicContact CG-CG1 4.04Å; E891-I893 VanDerWaalsContact OE1-CD1 3.26Å; E891-I893 WeakPolarHBondContact OE1-CD1 3.35Å; E891-I893 WeakPolarHBondContact OE1-CG1 3.43Å; I893-V895 HydrophobicContact CG2-CG2 4.48Å
894	M	72.4	Confident	63.1	Low	74 Å²	74	107.4 Å²	107.4	37%	0.365	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.3	117.8	173	-179.7	161.6	57.5	0	0	110.4	I878	I878-M894 HydrophobicContact CB-CB 4.45Å; I878-M894 HydrophobicContact CD1-CE 4.25Å; I878-M894 PolarHBondContact N-O 3.15Å; I878-M894 PolarHBondContact O-N 3.43Å
895	V	70.1	Confident	62.1	Low	99 Å²	99	110.1 Å²	110.1	60%	0.6	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.6	128.2	172.9	179.4	0	0	0	0	108.7	K877 I893	K877-V895 HydrophobicContact CG-CG2 4.24Å; I893-V895 HydrophobicContact CG2-CG2 4.48Å
896	Q	65.6	Low	61.3	Low	33 Å²	33	111.3 Å²	111.3	15%	0.154	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	137.4	-176.5	-146.3	170.4	46.6	0	0	109.2	V857 R876	V857-Q896 WeakPolarHBondContact CG2-O 3.32Å; R876-Q896 HydrophobicContact CB-CB 4.34Å; R876-Q896 PolarHBondContact N-O 3.3Å; R876-Q896 PolarHBondContact O-N 3.08Å
897	G	59.9	Low	59.9	Low	40 Å²	40	112.8 Å²	112.8	41%	0.412	61%	0.605	S	S	.	*	S	Bend	trans	108.1	167.9	-172.5	0	0	0	0	0	113.9
898	M	51.4	Low	59.5	Low	145 Å²	145	113 Å²	113	71%	0.714	61%	0.607	S	S	*	*			trans	-63.9	129.1	-177	-73.1	-64.9	-154.6	0	0	111.8	K873	K873-M898 WeakPolarHBondContact CE-O 3.33Å
899	P	52.7	Low	58.7	Low	111 Å²	111	115.7 Å²	115.7	72%	0.721	62%	0.619	S	S	*	*			trans	-59.8	145.5	175.5	26.7	-34.5	0	0	0	110.6	E901	P899-E901 PolarHBondContact O-N 3.5Å
900	Q	52.5	Low	57.7	Low	160 Å²	160	114.2 Å²	114.2	75%	0.748	63%	0.633	S	S	*	*			trans	-78.5	105	176.9	-174.7	170.9	25.6	0	0	109.4
901	E	45.8	Very low	56.9	Low	170 Å²	170	116.4 Å²	116.4	79%	0.794	64%	0.639	S	S	*	*			trans	-60.5	140.7	164.9	-70.2	-162.4	142.2	0	0	109.8	P899 V903	P899-E901 PolarHBondContact O-N 3.5Å; E901-V903 PolarHBondContact O-N 3.45Å
902	P	45	Very low	55.9	Low	120 Å²	120	116.5 Å²	116.5	78%	0.779	65%	0.652	S	S	*	*			trans	-70.9	100.4	179.8	28.4	-33.7	0	0	0	110.1	N904	P902-N904 PolarHBondContact O-N 3.29Å; P902-N904 VanDerWaalsContact O-N 3.09Å
903	V	51.7	Low	55	Low	118 Å²	118	119.6 Å²	119.6	72%	0.715	66%	0.664	S	S	*	*			trans	-53.4	115.3	178.2	-178.6	0	0	0	0	109.9	E901 I905	E901-V903 PolarHBondContact O-N 3.45Å; V903-I905 HydrophobicContact CG1-CG1 4.17Å; V903-I905 PolarHBondContact O-N 2.79Å
904	N	44.4	Very low	54.1	Low	162 Å²	162	121.3 Å²	121.3	87%	0.866	68%	0.679	S	S	*	*			trans	-86.1	101.3	179.5	-143.7	-91.2	0	0	0	108.8	P902	P902-N904 PolarHBondContact O-N 3.29Å; P902-N904 VanDerWaalsContact O-N 3.09Å
905	I	50.3	Low	53.5	Low	92 Å²	92	122.6 Å²	122.6	47%	0.472	69%	0.686	S	S	.	*			trans	-84.3	122.5	-175.6	-55.9	175.5	0	0	0	109.2	V903 Y911	V903-I905 HydrophobicContact CG1-CG1 4.17Å; V903-I905 PolarHBondContact O-N 2.79Å; I905-Y911 HydrophobicContact CD1-CD1 3.95Å; I905-Y911 HydrophobicContact CD1-CE1 3.98Å; I905-Y911 HydrophobicContact CG2-CD1 4.45Å
906	E	50.1	Low	53.3	Low	168 Å²	168	126.2 Å²	126.2	79%	0.785	69%	0.694	S	S	*	*			trans	-72	146.3	174	-168.8	165.9	-166.2	0	0	110.6	G908	E906-G908 PolarHBondContact O-N 2.8Å
907	E	41.7	Very low	52.9	Low	208 Å²	208	134.9 Å²	134.9	97%	0.972	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	69.2	-169.3	-164.1	-179.2	-166.1	0	0	112.5
908	G	52.8	Low	53.2	Low	72 Å²	72	137.9 Å²	137.9	74%	0.742	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-168.7	-30.4	-179.5	0	0	0	0	0	115.5	E906 G910	E906-G908 PolarHBondContact O-N 2.8Å; G908-G910 PolarHBondContact O-N 2.8Å
909	D	48.7	Very low	53.7	Low	126 Å²	126	137.1 Å²	137.1	67%	0.674	74%	0.738	S	S	*	*			trans	-82.9	118.4	-174.1	-73.7	-27.8	0	0	0	113.1	Y911	D909-Y911 PolarHBondContact O-N 3.46Å; D909-Y911 VanDerWaalsContact O-N 3.15Å
910	G	52.4	Low	53.9	Low	78 Å²	78	139.1 Å²	139.1	80%	0.804	74%	0.742	S	S	*	*			trans	-81.6	85.8	179.7	0	0	0	0	0	112.7	G908	G908-G910 PolarHBondContact O-N 2.8Å
911	Y	56.9	Low	53.9	Low	165 Å²	165	140.2 Å²	140.2	65%	0.647	75%	0.745	S	S	*	*			trans	-70.7	131.2	178.9	55.9	-90.3	0	0	0	113	I905 D909 K913	I905-Y911 HydrophobicContact CD1-CD1 3.95Å; I905-Y911 HydrophobicContact CD1-CE1 3.98Å; I905-Y911 HydrophobicContact CG2-CD1 4.45Å; D909-Y911 PolarHBondContact O-N 3.46Å; D909-Y911 VanDerWaalsContact O-N 3.15Å; Y911-K913 PolarHBondContact O-N 3.22Å
912	S	57.5	Low	54.3	Low	113 Å²	113	136.9 Å²	136.9	79%	0.79	74%	0.74	S	S	*	*			trans	-82.1	111.6	171.3	-167.9	0	0	0	0	110.4
913	K	57.3	Low	54.7	Low	163 Å²	163	137.1 Å²	137.1	71%	0.709	74%	0.735	S	S	*	*			trans	17.4	99.8	166.1	-170.3	-174	179.7	-174.7	0	116.4	Y911 I915	Y911-K913 PolarHBondContact O-N 3.22Å; K913-I915 HydrophobicContact CD-CD1 4.22Å; K913-I915 HydrophobicContact CD-CG1 4.07Å; K913-I915 HydrophobicContact CG-CG1 4.02Å; K913-I915 PolarHBondContact O-N 3.33Å
914	V	57.7	Low	54.5	Low	130 Å²	130	137.1 Å²	137.1	79%	0.788	74%	0.735	S	S	*	*			trans	-61.7	120.8	166.2	-178.9	0	0	0	0	109.9
915	I	58.6	Low	54.4	Low	101 Å²	101	138.2 Å²	138.2	52%	0.518	74%	0.735	S	S	.	*			trans	-111.6	95.6	177.5	-58.5	175.7	0	0	0	109.2	K913 R917	K913-I915 HydrophobicContact CD-CD1 4.22Å; K913-I915 HydrophobicContact CD-CG1 4.07Å; K913-I915 HydrophobicContact CG-CG1 4.02Å; K913-I915 PolarHBondContact O-N 3.33Å; I915-R917 HydrophobicContact CG2-CG 4.14Å; I915-R917 PolarHBondContact O-N 3.23Å
916	K	65.3	Low	53.9	Low	175 Å²	175	142.2 Å²	142.2	76%	0.761	75%	0.752	S	S	*	*			trans	-76.5	104.2	170.1	-174.5	175.4	-178.1	175.4	0	109.5	V918	K916-V918 HydrophobicContact CG-CG2 4.27Å
917	R	58.5	Low	53.4	Low	215 Å²	215	139.2 Å²	139.2	81%	0.811	75%	0.749	S	S	*	*			trans	-88.9	138.9	163	-64.5	-175.1	175.8	120	-6	108.6	I915	I915-R917 HydrophobicContact CG2-CG 4.14Å; I915-R917 PolarHBondContact O-N 3.23Å
918	V	66.1	Low	53	Low	104 Å²	104	136.7 Å²	136.7	63%	0.63	74%	0.737	S	S	*	*			trans	-119.4	126.6	171.2	-180	0	0	0	0	106.5	K916 L920	K916-V918 HydrophobicContact CG-CG2 4.27Å; V918-L920 HydrophobicContact CG1-CD2 4.11Å; V918-L920 HydrophobicContact CG1-CG 4.44Å
919	V	61.8	Low	52	Low	128 Å²	128	139.2 Å²	139.2	78%	0.776	74%	0.738	S	S	*	*			trans	-107	125.5	169.4	180	0	0	0	0	106
920	L	57.7	Low	51.2	Low	154 Å²	154	143.4 Å²	143.4	81%	0.806	74%	0.744	S	S	*	*			trans	-96	129.5	171.7	-63	175.5	0	0	0	107.8	V918	V918-L920 HydrophobicContact CG1-CD2 4.11Å; V918-L920 HydrophobicContact CG1-CG 4.44Å
921	K	52.6	Low	50.2	Low	183 Å²	183	147.5 Å²	147.5	80%	0.796	74%	0.742	S	S	*	*			trans	-119.5	139.8	160	-75.8	-168	170.5	-165.4	0	107
922	S	53.8	Low	49.4	Very low	99 Å²	99	145.9 Å²	145.9	69%	0.692	75%	0.752	S	S	*	*			trans	-127.8	103.8	175.4	51.2	0	0	0	0	107.7	T924	S922-T924 PolarHBondContact O-N 2.98Å
923	D	52.5	Low	48.4	Very low	126 Å²	126	147.8 Å²	147.8	67%	0.674	75%	0.753	S	S	*	*			trans	-81.4	102.3	171.8	-51.5	-44.5	0	0	0	106.4
924	T	47.2	Very low	47.2	Very low	118 Å²	118	145 Å²	145	72%	0.724	76%	0.755	S	S	*	*			trans	-121	71	-175.7	-46.3	0	0	0	0	109.5	S922	S922-T924 PolarHBondContact O-N 2.98Å
925	E	42.9	Very low	46.3	Very low	185 Å²	185	146.8 Å²	146.8	86%	0.864	76%	0.759	S	S	*	*			trans	-73.9	145.8	168.9	-64.7	-176.2	145.9	0	0	109.8
926	Q	40	Very low	45	Very low	176 Å²	176	151.3 Å²	151.3	82%	0.822	78%	0.775	S	S	*	*			trans	-81.3	141.1	-162.5	-65.9	178.6	-10.6	0	0	114
927	S	40.3	Very low	44	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	78%	0.777	S	S	*	*			trans	-133.2	51.7	156.5	58.7	0	0	0	0	111.1	V929	S927-V929 PolarHBondContact O-N 3.34Å
928	E	32.5	Very low	42.9	Very low	155 Å²	155	150.3 Å²	150.3	72%	0.724	80%	0.798	S	S	*	*			trans	-70.5	89.1	176.3	-167.3	-176.3	142.5	0	0	111.3	R930	E928-R930 PolarHBondContact O-N 2.75Å
929	V	32.5	Very low	41.8	Very low	125 Å²	125	152.7 Å²	152.7	76%	0.758	81%	0.807	S	S	*	*			trans	-73.4	94.7	167.6	-179.4	0	0	0	0	108.5	S927 Q931	S927-V929 PolarHBondContact O-N 3.34Å; V929-Q931 PolarHBondContact O-N 3.48Å
930	R	30.3	Very low	40.7	Very low	215 Å²	215	153.9 Å²	153.9	81%	0.811	81%	0.808	S	S	*	*			trans	-52.1	104.4	176.4	176.4	-179.8	-76.4	156.2	-4.9	111.8	E928	E928-R930 PolarHBondContact O-N 2.75Å
931	Q	32.2	Very low	39.8	Very low	163 Å²	163	153.9 Å²	153.9	76%	0.762	81%	0.808	S	S	*	*			trans	-97.5	130.7	159.7	-71.8	-169.6	-12.6	0	0	109.5	V929 D933	V929-Q931 PolarHBondContact O-N 3.48Å; Q931-D933 PolarHBondContact O-N 2.81Å
932	P	41.2	Very low	39	Very low	131 Å²	131	152.2 Å²	152.2	85%	0.851	81%	0.809	S	S	*	*			trans	-86.9	90.6	177.7	33.6	-31.7	0	0	0	110.2
933	D	35.4	Very low	38.1	Very low	153 Å²	153	155.6 Å²	155.6	82%	0.818	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-94.1	148.5	-178.1	-142	-17.4	0	0	0	113.5	Q931	Q931-D933 PolarHBondContact O-N 2.81Å
934	S	32.8	Very low	37.1	Very low	105 Å²	105	157.5 Å²	157.5	73%	0.734	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-91.8	145.2	-163.8	-175.8	0	0	0	0	113.9	K936	S934-K936 PolarHBondContact O-N 3.09Å
935	L	38.8	Very low	36.4	Very low	167 Å²	167	160.4 Å²	160.4	87%	0.874	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-46.9	127	167.6	-76.5	162.1	0	0	0	112.6
936	K	29.7	Very low	35.9	Very low	197 Å²	197	158.5 Å²	158.5	86%	0.857	83%	0.831	S	S	*	*			trans	-137.9	138.3	147.6	-76.5	-172.3	179.6	163.8	0	110.5	S934	S934-K936 PolarHBondContact O-N 3.09Å
937	P	45.2	Very low	35.6	Very low	124 Å²	124	157 Å²	157	81%	0.805	83%	0.831	S	S	*	*			trans	-89.6	160.7	-174.9	36.2	-36.6	0	0	0	113.4
938	I	36	Very low	35.1	Very low	245 Å²	245	161.8 Å²	161.8	100%	1.256	84%	0.841	S	S	*	*			trans	-130.7	0	153.1	-63.5	-177	0	0	0	106.8

Retrieved 938 of 938 residues in 225.4 ms (Link to these results)

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