A0A077Z5Z9_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z5Z9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 898 aa.

						>A0A077Z5Z9_TRITR|A0A077Z5Z9
MGEPTDLARLRHRLPDGIESSRRPASSAPQRISFPTNLYQYPTSSDIAGASSDGAMVGLRGRNRGSYKEALMQIRRSLLPYDNALQLSPLAFAPQYNGSNLKGAKMTHQNGQEGSTARKDGSGGSQQPVTMLEALVNMGFDTETAWQALKATHFESLYHVVDYMIKLKTRETAVDRSTAMAGPPPYPCDRQKISAGCVPTASRTTNGHCRHPIVSNGYAPASALPDPSAVGPMKYFPRSPVSSVYGNVMSNHGTSAPVACREIGTMSTGDIFHASGDIAADWCTSEPVIASKPFGYYPVAQKQTSEQECQPHPHDAMYFENLCQRANDLLSVSKAATHLGAGVVSGRREQLVNEGELSFNDISLVTRSCCLPLAQLYKLPQSYTERDFPILASSSSSNAIDGCGSVESCTIGSEQSSRAMRCESPLPEGIEKRVLTRRGSGCIKQCTSKAFRFFMEQHIENVVKMYNERVSRRMQIEREMSRAIFSAQLQCQMRRLLAQKESSYLRLKRQKLEPSMFEKLKTIGVGAFGEVALVVKKDTSSLFAMKVLRKRDVISRNQAAHVKAERDILAEADNEWVVKLYYSFQDKDNLFFIMEYIPGGDLMALLIKKGIFDEAMARFYIAELVCAVESVHRLGFIHRDIKPDNILIDRDGHIKLTDFGLCTGLRWTHDRKYYDDHRGDIDDDTLPPHRPKSDKWHKVLVVRHQKQQKHRKALSLVGTPNYIAPEVLLRVGYTQLCDWWSVGVILYEMVVGQPPFLAETPEETQNKVINWQSSLRIPVEAGLSADVVDLILRLCFSVDQRLGKNVDDIKNHPFFDGVDWENLRKLPAPYTPEILHEADTSNFDPVDETKDLTISRSIGSFDMSDHAFYEFTFRRFFDNNGRCCPTLGTYSANPHRHL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.5	Very low	32.4	Very low	254 Å²	254	163.5 Å²	163.5	100%	1.251	86%	0.86	S	S	*	*				0	92.1	0	-69.9	-83.4	-96.5	0	0	107.1
2	G	30.5	Very low	32.4	Very low	79 Å²	79	163.5 Å²	163.5	81%	0.814	85%	0.851	S	S	*	*			trans	-165.4	111.3	-178.3	0	0	0	0	0	107.9
3	E	32.1	Very low	32.2	Very low	185 Å²	185	169.8 Å²	169.8	86%	0.864	86%	0.857	S	S	*	*			trans	-60.4	160.7	-169.7	-76.4	-177.6	147.9	0	0	114.9	T5	E3-T5 PolarHBondContact O-N 3.29Å
4	P	38.8	Very low	32	Very low	125 Å²	125	169 Å²	169	81%	0.812	86%	0.855	S	S	*	*			trans	-79.3	122.8	-168.4	15.9	-2.4	0	0	0	111.8	D6	P4-D6 PolarHBondContact O-N 3.5Å
5	T	35.5	Very low	32	Very low	133 Å²	133	166 Å²	166	82%	0.816	85%	0.852	S	S	*	*			trans	-63.5	115.9	173.8	18.7	0	0	0	0	112.2	E3 L7	E3-T5 PolarHBondContact O-N 3.29Å; T5-L7 PolarHBondContact O-N 3.42Å
6	D	35.4	Very low	31.9	Very low	155 Å²	155	166.1 Å²	166.1	83%	0.829	85%	0.854	S	S	*	*			trans	-63.2	103.1	176.9	-145	-12.5	0	0	0	111.1	P4 A8	P4-D6 PolarHBondContact O-N 3.5Å; D6-A8 PolarHBondContact O-N 3.28Å
7	L	30.2	Very low	31.7	Very low	160 Å²	160	160.6 Å²	160.6	84%	0.838	85%	0.848	S	S	*	*			trans	-81.1	32.7	-172.5	-104.3	162.4	0	0	0	113.7	T5 R9	T5-L7 PolarHBondContact O-N 3.42Å; L7-R9 PolarHBondContact O-N 3.25Å
8	A	30.8	Very low	31.7	Very low	79 Å²	79	161.4 Å²	161.4	65%	0.653	85%	0.851	S	S	*	*			trans	-100.3	55.4	-179.3	0	0	0	0	0	112.4	D6	D6-A8 PolarHBondContact O-N 3.28Å
9	R	31.2	Very low	31.7	Very low	238 Å²	238	162.8 Å²	162.8	90%	0.898	85%	0.853	S	S	*	*			trans	-160.8	42.6	174.8	-113.6	171.2	-153.5	-159.4	7.9	117.1	L7	L7-R9 PolarHBondContact O-N 3.25Å
10	L	32	Very low	31.6	Very low	143 Å²	143	160.2 Å²	160.2	75%	0.749	85%	0.849	S	S	*	*			trans	-111.9	75.8	161	-100.3	90.9	0	0	0	111.5	H12	L10-H12 PolarHBondContact O-N 2.88Å
11	R	28.2	Very low	31.5	Very low	247 Å²	247	157.9 Å²	157.9	93%	0.932	85%	0.846	S	S	*	*			trans	-87.7	89.1	158.6	-83.4	-175.1	177.5	177.5	-0.3	108.2
12	H	32.9	Very low	31.5	Very low	164 Å²	164	157.3 Å²	157.3	76%	0.759	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-80.9	120.3	166.3	-94.9	-83.5	0	0	0	109.8	L10 L14	L10-H12 PolarHBondContact O-N 2.88Å; H12-L14 PolarHBondContact O-N 3.38Å
13	R	29.6	Very low	31.3	Very low	245 Å²	245	165 Å²	165	93%	0.925	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-58.5	120.9	177.4	-61.8	175.4	-167.4	-177.7	1.8	110.1
14	L	29.7	Very low	31.3	Very low	159 Å²	159	162.2 Å²	162.2	83%	0.832	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-88.1	141.4	160.5	-77	166.3	0	0	0	108.4	H12	H12-L14 PolarHBondContact O-N 3.38Å
15	P	31.5	Very low	31	Very low	124 Å²	124	160.9 Å²	160.9	81%	0.805	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-79.3	136.2	-172.2	9.4	5.7	0	0	0	111.9
16	D	30.1	Very low	30.7	Very low	167 Å²	167	160.4 Å²	160.4	89%	0.893	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-63.2	147.2	172.8	-66	-54.3	0	0	0	112.7
17	G	29.7	Very low	30.4	Very low	73 Å²	73	158.5 Å²	158.5	75%	0.753	83%	0.833	S	S	*	*			trans	115.9	74	151.1	0	0	0	0	0	116.8
18	I	31.5	Very low	30.4	Very low	175 Å²	175	155.2 Å²	155.2	90%	0.897	83%	0.828	S	S	*	*			trans	-132.5	111.1	143.9	-59.6	-177.6	0	0	0	107.4
19	E	30.5	Very low	30.2	Very low	189 Å²	189	157.8 Å²	157.8	88%	0.883	84%	0.838	S	S	*	*			trans	-59.9	144.6	-175.7	-81	175.8	131.9	0	0	113.9	S21	E19-S21 PolarHBondContact O-N 3.36Å
20	S	29.5	Very low	30.1	Very low	110 Å²	110	155.1 Å²	155.1	77%	0.769	84%	0.836	S	S	*	*			trans	-65.3	106	179.1	57.6	0	0	0	0	113.2	R22	S20-R22 PolarHBondContact O-N 3.19Å
21	S	30.5	Very low	29.7	Very low	112 Å²	112	160 Å²	160	78%	0.783	84%	0.844	S	S	*	*			trans	-84.6	108.3	158.9	69.9	0	0	0	0	109.6	E19 R23	E19-S21 PolarHBondContact O-N 3.36Å; S21-R23 PolarHBondContact O-N 3.39Å
22	R	30.8	Very low	29.5	Very low	242 Å²	242	154.8 Å²	154.8	91%	0.913	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-53.5	118.2	176.7	-67.2	175.3	179	-174.1	-1.2	111.2	S20	S20-R22 PolarHBondContact O-N 3.19Å
23	R	26.9	Very low	29.1	Very low	239 Å²	239	152.1 Å²	152.1	90%	0.902	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-83.7	126	166.3	-77.1	-175.5	177.1	-169.3	-0.7	109.3	S21	S21-R23 PolarHBondContact O-N 3.39Å
24	P	32.9	Very low	28.8	Very low	127 Å²	127	149 Å²	149	83%	0.825	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-79	151.3	178.3	25.7	-20.5	0	0	0	111.7
25	A	31.4	Very low	28.6	Very low	98 Å²	98	146.7 Å²	146.7	81%	0.81	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-60.4	145.5	-172.1	0	0	0	0	0	114.1	S27	A25-S27 PolarHBondContact O-N 3.12Å
26	S	28.8	Very low	28.4	Very low	122 Å²	122	147 Å²	147	85%	0.853	82%	0.821	S	S	*	*			trans	-54.6	114.2	177.9	53.2	0	0	0	0	113.9
27	S	30.4	Very low	28.1	Very low	116 Å²	116	145.4 Å²	145.4	81%	0.811	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-93.3	131.4	158	56.3	0	0	0	0	109.9	A25	A25-S27 PolarHBondContact O-N 3.12Å
28	A	30	Very low	28	Very low	90 Å²	90	149.4 Å²	149.4	74%	0.744	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-54.1	152.5	-176.4	0	0	0	0	0	114.4	Q30	A28-Q30 PolarHBondContact O-N 3.13Å
29	P	27.2	Very low	27.6	Very low	133 Å²	133	150.4 Å²	150.4	86%	0.864	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.2	119.1	-166.3	30.1	-32.7	0	0	0	111.8
30	Q	27.8	Very low	27.2	Very low	182 Å²	182	150.8 Å²	150.8	85%	0.85	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-71.6	125.2	166.8	-75.3	-173.3	-21.8	0	0	109.9	A28 I32	A28-Q30 PolarHBondContact O-N 3.13Å; Q30-I32 PolarHBondContact O-N 3.23Å
31	R	24.3	Very low	26.9	Very low	246 Å²	246	155.3 Å²	155.3	93%	0.928	81%	0.813	S	S	*	*			trans	-56.3	111.9	170.3	-99.4	177.9	168.9	-175.5	-2.8	109.7	S33	R31-S33 PolarHBondContact O-N 3.16Å
32	I	24.1	Very low	26.6	Very low	137 Å²	137	155.8 Å²	155.8	70%	0.703	81%	0.814	S	S	*	*			trans	-83.3	105.8	169	-60.9	173.7	0	0	0	107.4	Q30 F34	Q30-I32 PolarHBondContact O-N 3.23Å; I32-F34 HydrophobicContact CG2-CD2 4.5Å; I32-F34 HydrophobicContact CG2-CE1 4.45Å; I32-F34 HydrophobicContact CG2-CE2 4.08Å; I32-F34 HydrophobicContact CG2-CZ 4.06Å
33	S	23.3	Very low	26.4	Very low	109 Å²	109	150.9 Å²	150.9	76%	0.762	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.8	119	170	51.1	0	0	0	0	109.6	R31	R31-S33 PolarHBondContact O-N 3.16Å
34	F	24.9	Very low	26.3	Very low	180 Å²	180	144.6 Å²	144.6	79%	0.789	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-84.5	129.9	176.5	-71.3	-86	0	0	0	110.8	I32	I32-F34 HydrophobicContact CG2-CD2 4.5Å; I32-F34 HydrophobicContact CG2-CE1 4.45Å; I32-F34 HydrophobicContact CG2-CE2 4.08Å; I32-F34 HydrophobicContact CG2-CZ 4.06Å
35	P	25.6	Very low	25.9	Very low	110 Å²	110	143.2 Å²	143.2	71%	0.714	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-79.6	129	-178.6	30.4	-32.2	0	0	0	111.9	N37	P35-N37 PolarHBondContact O-N 3.4Å; P35-N37 VanDerWaalsContact O-N 3.12Å
36	T	25.5	Very low	25.6	Very low	130 Å²	130	145.6 Å²	145.6	80%	0.798	80%	0.796	S	S	*	*			trans	-72.6	89.7	175.3	1.9	0	0	0	0	110.4	L38	T36-L38 PolarHBondContact O-N 3.48Å; T36-L38 VanDerWaalsContact O-N 3.13Å
37	N	25.7	Very low	25.4	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	80%	0.798	S	S	*	*			trans	-79.3	90.8	166.8	-82.7	-21.2	0	0	0	109.6	P35 Y39	P35-N37 PolarHBondContact O-N 3.4Å; P35-N37 VanDerWaalsContact O-N 3.12Å; N37-Y39 PolarHBondContact O-N 3.01Å; N37-Y39 VanDerWaalsContact O-N 3.16Å
38	L	25.7	Very low	25.1	Very low	158 Å²	158	147 Å²	147	83%	0.827	80%	0.796	S	S	*	*			trans	-64.8	99.3	167	-85.7	148.7	0	0	0	109.5	T36 Q40	T36-L38 PolarHBondContact O-N 3.48Å; T36-L38 VanDerWaalsContact O-N 3.13Å; L38-Q40 PolarHBondContact O-N 3.17Å
39	Y	23.9	Very low	24.8	Very low	196 Å²	196	146.6 Å²	146.6	77%	0.769	80%	0.801	S	S	*	*			trans	-72	107	167.8	-82.8	-87.3	0	0	0	109.6	N37 Y41	N37-Y39 PolarHBondContact O-N 3.01Å; N37-Y39 VanDerWaalsContact O-N 3.16Å; Y39-Y41 PolarHBondContact O-N 3.39Å
40	Q	21.6	Very low	24.7	Very low	196 Å²	196	145.4 Å²	145.4	92%	0.916	80%	0.802	S	S	*	*			trans	-63.3	115.9	169.8	-99.9	168.3	-42.7	0	0	110.3	L38	L38-Q40 PolarHBondContact O-N 3.17Å
41	Y	23.5	Very low	24.6	Very low	206 Å²	206	142.3 Å²	142.3	81%	0.808	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-98.5	137.9	167.3	-84.7	-84.4	0	0	0	110.4	Y39	Y39-Y41 PolarHBondContact O-N 3.39Å
42	P	25.5	Very low	24.7	Very low	122 Å²	122	136.2 Å²	136.2	79%	0.792	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-79.8	142.2	-165	30.4	-33.3	0	0	0	113.2
43	T	24.7	Very low	24.8	Very low	138 Å²	138	137.7 Å²	137.7	85%	0.847	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-83.4	127.4	175.7	49.7	0	0	0	0	111.2
44	S	26.6	Very low	24.8	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	80%	0.802	S	S	*	*			trans	-143.8	102	159	66.4	0	0	0	0	107.5
45	S	23.8	Very low	24.8	Very low	98 Å²	98	131.9 Å²	131.9	69%	0.685	80%	0.803	S	S	*	*				55.2	112.9	80.7	72.9	0	0	0	0	114.4
46	D	24.5	Very low	24.6	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	81%	0.814	S	S	*	*			trans	68.1	117.5	155.9	-51.1	-30.9	0	0	0	118.9
47	I	25.6	Very low	24.6	Very low	174 Å²	174	136 Å²	136	89%	0.892	82%	0.815	S	S	*	*				-171.7	126.4	123.2	-86.1	146.5	0	0	0	108.4
48	A	23.4	Very low	24.6	Very low	94 Å²	94	132.8 Å²	132.8	78%	0.777	81%	0.814	S	S	*	*			trans	-84.8	149.7	178.4	0	0	0	0	0	112.4
49	G	24.5	Very low	24.5	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	82%	0.819	S	S	*	*			trans	72.5	104.5	140.9	0	0	0	0	0	118.9
50	A	25	Very low	24.6	Very low	107 Å²	107	135.9 Å²	135.9	88%	0.884	83%	0.825	S	S	*	*			trans	-158.7	130.3	139.9	0	0	0	0	0	110.4
51	S	24.9	Very low	24.9	Very low	118 Å²	118	130 Å²	130	83%	0.825	82%	0.818	S	S	*	*			trans	-61.2	134.4	-175.5	51.6	0	0	0	0	114.2	D53	S51-D53 PolarHBondContact O-N 3.49Å
52	S	27.3	Very low	25.1	Very low	117 Å²	117	131.7 Å²	131.7	82%	0.818	82%	0.823	S	S	*	*			trans	-88.4	95	172.9	60	0	0	0	0	111.4
53	D	24.5	Very low	25.5	Very low	169 Å²	169	134 Å²	134	90%	0.904	83%	0.828	S	S	*	*			trans	-106	106.3	152.3	-95.1	-27.3	0	0	0	107.2	S51	S51-D53 PolarHBondContact O-N 3.49Å
54	G	24.9	Very low	25.9	Very low	68 Å²	68	138.1 Å²	138.1	70%	0.701	83%	0.828	S	S	*	*			trans	-165.5	97.2	-176.3	0	0	0	0	0	110	M56	G54-M56 PolarHBondContact O-N 2.77Å; G54-M56 VanDerWaalsContact O-N 3.15Å
55	A	23.9	Very low	26.6	Very low	98 Å²	98	135.4 Å²	135.4	81%	0.81	82%	0.818	S	S	*	*			trans	-50.4	110.5	-174.4	0	0	0	0	0	113.3	V57	A55-V57 PolarHBondContact O-N 2.92Å; A55-V57 VanDerWaalsContact O-N 3.14Å
56	M	22.5	Very low	27.8	Very low	191 Å²	191	133.8 Å²	133.8	94%	0.941	81%	0.806	S	S	*	*			trans	-73.6	100	164.6	-98.6	-130.8	-154.2	0	0	109.7	G54 G58	G54-M56 PolarHBondContact O-N 2.77Å; G54-M56 VanDerWaalsContact O-N 3.15Å; M56-G58 PolarHBondContact O-N 3.18Å; M56-G58 VanDerWaalsContact O-N 3.14Å
57	V	24.2	Very low	29	Very low	135 Å²	135	131.5 Å²	131.5	82%	0.818	79%	0.787	S	S	*	*			trans	-67.8	101.5	166.3	176.7	0	0	0	0	109.3	A55 L59	A55-V57 PolarHBondContact O-N 2.92Å; A55-V57 VanDerWaalsContact O-N 3.14Å; V57-L59 PolarHBondContact O-N 3.09Å
58	G	25.8	Very low	30.5	Very low	67 Å²	67	127.9 Å²	127.9	69%	0.691	77%	0.765	S	S	*	*				50.6	60.8	128.2	0	0	0	0	0	119.8	M56	M56-G58 PolarHBondContact O-N 3.18Å; M56-G58 VanDerWaalsContact O-N 3.14Å
59	L	24.3	Very low	32.2	Very low	181 Å²	181	129.1 Å²	129.1	95%	0.948	76%	0.755	S	S	*	*			trans	-116.5	64.2	155.1	-73.1	172.6	0	0	0	110.2	V57	V57-L59 PolarHBondContact O-N 3.09Å
60	R	25.4	Very low	33.8	Very low	237 Å²	237	127.6 Å²	127.6	89%	0.894	74%	0.735	S	S	*	*			trans	-113.2	93	168.7	-80.8	-170.5	-178	-141.8	3.8	109.5
61	G	28.4	Very low	35.7	Very low	74 Å²	74	122.7 Å²	122.7	76%	0.763	69%	0.693	S	S	*	*			trans	-169.5	43.8	178.6	0	0	0	0	0	113.9
62	R	27.5	Very low	37.7	Very low	241 Å²	241	120.7 Å²	120.7	91%	0.909	67%	0.672	S	S	*	*	S	Bend	trans	-132.3	103.3	165.5	-86.8	-174.9	175	168.5	-1.4	110.7	R64	R62-R64 PolarHBondContact O-N 3.39Å; R62-R64 VanDerWaalsContact O-N 3.16Å
63	N	34.5	Very low	39.5	Very low	170 Å²	170	122 Å²	122	91%	0.909	67%	0.665	S	S	*	*			trans	33.4	63.5	150.6	-73.1	-3.9	0	0	0	117.5	G65	N63-G65 VanDerWaalsContact C-N 3.25Å; N63-G65 PolarHBondContact O-N 3.2Å; N63-G65 VanDerWaalsContact O-N 3.11Å
64	R	31.6	Very low	41.4	Very low	224 Å²	224	115.7 Å²	115.7	85%	0.845	63%	0.631	S	S	*	*			trans	-76.9	87.3	151.7	-73.7	-174.8	179.3	-177.7	-1.8	107.3	R62 S66	R62-R64 PolarHBondContact O-N 3.39Å; R62-R64 VanDerWaalsContact O-N 3.16Å; R64-S66 PolarHBondContact O-N 3.2Å
65	G	41.2	Very low	43.6	Very low	51 Å²	51	116.9 Å²	116.9	53%	0.526	61%	0.614	S	S	.	*			trans	-49	125.4	159.5	0	0	0	0	0	107.1	N63 Y67 E69	N63-G65 VanDerWaalsContact C-N 3.25Å; N63-G65 PolarHBondContact O-N 3.2Å; N63-G65 VanDerWaalsContact O-N 3.11Å; G65-Y67 PolarHBondContact O-N 3.19Å; G65-E69 WeakPolarHBondContact CA-OE2 3.37Å
66	S	50.9	Low	45.7	Very low	64 Å²	64	121.3 Å²	121.3	45%	0.448	61%	0.61	S	S	.	*			trans	-58.9	139	-172	179	0	0	0	0	108	R64 K68 E69 A70	R64-S66 PolarHBondContact O-N 3.2Å; S66-K68 CarbonylContact O-C 3.6Å; S66-K68 PolarHBondContact O-N 2.82Å; S66-K68 WeakPolarHBondContact OG-CB 3.2Å; S66-K68 PolarHBondContact OG-N 3.35Å; S66-E69 PolarHBondContact N-OE2 3.28Å; S66-E69 WeakPolarHBondContact O-CA 3.26Å; S66-E69 WeakPolarHBondContact O-CB 3.39Å; S66-E69 PolarHBondContact O-N 3.5Å; S66-A70 PolarHBondContact O-N 3.27Å
67	Y	49.2	Very low	47.9	Very low	101 Å²	101	115.4 Å²	115.4	40%	0.396	59%	0.588	S	S	.	*	H	α-helix	trans	-46.4	-28.4	170.9	177.3	-96	0	0	0	112.1	G65 L71 K168	G65-Y67 PolarHBondContact O-N 3.19Å; Y67-L71 HydrophobicContact CD1-CD1 3.76Å; Y67-L71 HydrophobicContact CD1-CG 4.35Å; Y67-L71 HydrophobicContact CE1-CD1 3.39Å; Y67-L71 HydrophobicContact CE1-CG 4.03Å; Y67-L71 WeakPolarHBondContact O-CG 3.35Å; Y67-L71 PolarHBondContact O-N 3.22Å; Y67-L71 VanDerWaalsContact O-N 3.08Å; Y67-K168 HydrophobicContact CD1-CD 3.8Å; Y67-K168 HydrophobicContact CE1-CD 3.72Å
68	K	56.3	Low	50	Low	98 Å²	98	109.9 Å²	109.9	43%	0.426	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-40.4	171.2	-169.3	179.4	-178.3	179.6	0	114.2	S66 L71 M72	S66-K68 CarbonylContact O-C 3.6Å; S66-K68 PolarHBondContact O-N 2.82Å; S66-K68 WeakPolarHBondContact OG-CB 3.2Å; S66-K68 PolarHBondContact OG-N 3.35Å; K68-L71 PolarHBondContact O-N 3.32Å; K68-M72 HydrophobicContact CD-CE 4.31Å; K68-M72 HydrophobicContact CG-CE 4.12Å; K68-M72 WeakPolarHBondContact O-CG 3.18Å; K68-M72 PolarHBondContact O-N 3.03Å
69	E	59.3	Low	51.7	Low	119 Å²	119	111 Å²	111	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-67.9	-43	177.1	-71	174.4	151	0	0	111.2	G65 S66 L71 M72 Q73	G65-E69 WeakPolarHBondContact CA-OE2 3.37Å; S66-E69 PolarHBondContact N-OE2 3.28Å; S66-E69 WeakPolarHBondContact O-CA 3.26Å; S66-E69 WeakPolarHBondContact O-CB 3.39Å; S66-E69 PolarHBondContact O-N 3.5Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.14Å; E69-M72 PolarHBondContact O-N 3.21Å; E69-Q73 PolarHBondContact O-N 3.47Å
70	A	59	Low	53	Low	50 Å²	50	106.8 Å²	106.8	41%	0.413	53%	0.526	S	S	.	.	H	α-helix	trans	-58.1	-46	173.9	0	0	0	0	0	111.1	S66 M72 Q73 I74	S66-A70 PolarHBondContact O-N 3.27Å; A70-M72 PolarHBondContact O-N 3.41Å; A70-Q73 WeakPolarHBondContact O-CB 3.22Å; A70-Q73 PolarHBondContact O-N 3.42Å; A70-I74 WeakPolarHBondContact O-CG1 3.4Å; A70-I74 PolarHBondContact O-N 2.83Å
71	L	63.1	Low	54.3	Low	4 Å²	4	103 Å²	103	2%	0.021	51%	0.513	C	S	.	.	H	α-helix	trans	-60.3	-42.8	174	-84.1	177	0	0	0	113.3	Y67 K68 E69 Q73 I74 R75 F140 V161 I165	Y67-L71 HydrophobicContact CD1-CD1 3.76Å; Y67-L71 HydrophobicContact CD1-CG 4.35Å; Y67-L71 HydrophobicContact CE1-CD1 3.39Å; Y67-L71 HydrophobicContact CE1-CG 4.03Å; Y67-L71 WeakPolarHBondContact O-CG 3.35Å; Y67-L71 PolarHBondContact O-N 3.22Å; Y67-L71 VanDerWaalsContact O-N 3.08Å; K68-L71 PolarHBondContact O-N 3.32Å; E69-L71 VanDerWaalsContact C-N 3.32Å; E69-L71 PolarHBondContact O-N 3.14Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.36Å; L71-I74 PolarHBondContact O-N 3.39Å; L71-R75 PolarHBondContact O-N 3.27Å; L71-F140 HydrophobicContact CD2-CE1 3.45Å; L71-F140 VanDerWaalsContact CD2-CE1 3.45Å; L71-F140 HydrophobicContact CD2-CZ 3.42Å; L71-F140 VanDerWaalsContact CD2-CZ 3.42Å; L71-F140 HydrophobicContact CG-CE1 4.48Å; L71-V161 HydrophobicContact CD2-CG1 4.2Å; L71-I165 HydrophobicContact CB-CD1 4.09Å; L71-I165 HydrophobicContact CB-CG1 3.74Å; L71-I165 HydrophobicContact CD1-CG1 3.91Å; L71-I165 HydrophobicContact CD2-CG1 4.36Å; L71-I165 HydrophobicContact CG-CG1 4.26Å
72	M	67.7	Low	55.4	Low	75 Å²	75	101.1 Å²	101.1	37%	0.369	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-35.5	176.2	-75.7	-159.4	-158.7	0	0	112.2	K68 E69 A70 R75 R76	K68-M72 HydrophobicContact CD-CE 4.31Å; K68-M72 HydrophobicContact CG-CE 4.12Å; K68-M72 WeakPolarHBondContact O-CG 3.18Å; K68-M72 PolarHBondContact O-N 3.03Å; E69-M72 PolarHBondContact O-N 3.21Å; A70-M72 PolarHBondContact O-N 3.41Å; M72-R75 PolarHBondContact O-N 3.34Å; M72-R76 WeakPolarHBondContact O-CG 3.44Å; M72-R76 PolarHBondContact O-N 3.41Å
73	Q	64.5	Low	55.9	Low	146 Å²	146	94.8 Å²	94.8	68%	0.682	47%	0.47	S	S	*	.	H	α-helix	trans	-67.7	-43	177.3	-166.7	171.9	7	0	0	111.3	E69 A70 L71 R76 S77	E69-Q73 PolarHBondContact O-N 3.47Å; A70-Q73 WeakPolarHBondContact O-CB 3.22Å; A70-Q73 PolarHBondContact O-N 3.42Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.36Å; Q73-R76 PolarHBondContact O-N 2.79Å; Q73-S77 PolarHBondContact O-N 2.8Å
74	I	66	Low	55.9	Low	36 Å²	36	90.6 Å²	90.6	19%	0.185	46%	0.459	C	S	.	.	H	α-helix	trans	-59.2	-48.9	172.9	-64.6	168.1	0	0	0	109.9	A70 L71 R76 S77 L78 M138 F140 V161	A70-I74 WeakPolarHBondContact O-CG1 3.4Å; A70-I74 PolarHBondContact O-N 2.83Å; L71-I74 PolarHBondContact O-N 3.39Å; I74-R76 VanDerWaalsContact C-N 3.33Å; I74-R76 PolarHBondContact O-N 2.75Å; I74-S77 PolarHBondContact O-N 3.45Å; I74-S77 VanDerWaalsContact O-N 3.08Å; I74-S77 PolarHBondContact O-OG 3.2Å; I74-L78 HydrophobicContact CG2-CD1 4.01Å; I74-L78 WeakPolarHBondContact O-CG 3.39Å; I74-L78 PolarHBondContact O-N 3.29Å; I74-L78 VanDerWaalsContact O-N 3.1Å; I74-M138 HydrophobicContact CG2-CE 4.48Å; I74-M138 HydrophobicContact CG2-SD 3.8Å; I74-F140 HydrophobicContact CD1-CE2 4.36Å; I74-F140 HydrophobicContact CD1-CZ 4.03Å; I74-V161 HydrophobicContact CG2-CG1 4.22Å; I74-V161 HydrophobicContact CG2-CG2 4.08Å
75	R	69.9	Low	56	Low	92 Å²	92	86.6 Å²	86.6	35%	0.347	45%	0.453	S	S	.	.	H	α-helix	trans	-57.2	-42.5	177.2	-175.5	-179.5	168.5	-147.9	-1.3	112.7	L71 M72 S77 L78 L79 Y158 V161 D162 I165	L71-R75 PolarHBondContact O-N 3.27Å; M72-R75 PolarHBondContact O-N 3.34Å; R75-S77 VanDerWaalsContact C-N 3.32Å; R75-S77 PolarHBondContact O-N 3.15Å; R75-L78 PolarHBondContact O-N 3.17Å; R75-L79 PolarHBondContact O-N 3.3Å; R75-Y158 HydrophobicContact CG-CD2 4.05Å; R75-Y158 HydrophobicContact CG-CE2 3.52Å; R75-Y158 PolarHBondContact NE-OH 2.91Å; R75-Y158 PolarHBondContact NH2-OH 2.78Å; R75-V161 HydrophobicContact CB-CG1 4.14Å; R75-D162 IonicContact CZ-OD1 3.99Å; R75-D162 VanDerWaalsContact CZ-OD1 3.25Å; R75-D162 IonicContact NE-OD1 3.65Å; R75-D162 PolarHBondContact NE-OD1 2.6Å; R75-D162 IonicContact NH1-OD1 3.43Å; R75-D162 IonicContact NH2-OD1 3.76Å; R75-I165 HydrophobicContact CB-CD1 4.21Å
76	R	68.9	Low	55.6	Low	191 Å²	191	91.6 Å²	91.6	72%	0.721	46%	0.463	S	S	*	.	H	α-helix	trans	-63.1	-38.1	176.6	-74.6	178.8	-166.7	-161.3	4.7	112.2	M72 Q73 I74 L78 L79	M72-R76 WeakPolarHBondContact O-CG 3.44Å; M72-R76 PolarHBondContact O-N 3.41Å; Q73-R76 PolarHBondContact O-N 2.79Å; I74-R76 VanDerWaalsContact C-N 3.33Å; I74-R76 PolarHBondContact O-N 2.75Å; R76-L78 VanDerWaalsContact C-N 3.28Å; R76-L78 PolarHBondContact O-N 3.43Å; R76-L79 WeakPolarHBondContact O-CB 3.28Å; R76-L79 PolarHBondContact O-N 3.29Å
77	S	67.1	Low	54.3	Low	68 Å²	68	95.6 Å²	95.6	48%	0.476	48%	0.479	S	S	.	.	H	α-helix	trans	-68.8	-26.6	177.4	76.2	0	0	0	0	113.4	Q73 I74 R75 P80	Q73-S77 PolarHBondContact O-N 2.8Å; I74-S77 PolarHBondContact O-N 3.45Å; I74-S77 VanDerWaalsContact O-N 3.08Å; I74-S77 PolarHBondContact O-OG 3.2Å; R75-S77 VanDerWaalsContact C-N 3.32Å; R75-S77 PolarHBondContact O-N 3.15Å; S77-P80 VanDerWaalsContact O-CD 3.31Å; S77-P80 WeakPolarHBondContact O-CD 3.32Å
78	L	68.7	Low	53.3	Low	18 Å²	18	94.9 Å²	94.9	9%	0.094	49%	0.488	C	S	.	.	H	α-helix	trans	-85	-17.6	179.1	-67.3	174.3	0	0	0	113.4	I74 R75 R76 P80 Y81 M138 L157 Y158 V161	I74-L78 HydrophobicContact CG2-CD1 4.01Å; I74-L78 WeakPolarHBondContact O-CG 3.39Å; I74-L78 PolarHBondContact O-N 3.29Å; I74-L78 VanDerWaalsContact O-N 3.1Å; R75-L78 PolarHBondContact O-N 3.17Å; R76-L78 VanDerWaalsContact C-N 3.28Å; R76-L78 PolarHBondContact O-N 3.43Å; L78-P80 VanDerWaalsContact C-N 3.34Å; L78-Y81 PolarHBondContact O-N 2.8Å; L78-M138 HydrophobicContact CD2-CE 4.37Å; L78-L157 HydrophobicContact CD1-CB 4.16Å; L78-L157 HydrophobicContact CD2-CB 4.44Å; L78-Y158 HydrophobicContact CB-CD2 4.11Å; L78-V161 HydrophobicContact CD1-CB 4.39Å; L78-V161 HydrophobicContact CD1-CG2 3.9Å
79	L	62.4	Low	52	Low	91 Å²	91	96 Å²	96	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-52.8	-38.3	-177.5	-157.6	78.8	0	0	0	114.7	R75 R76 Y81 Y158	R75-L79 PolarHBondContact O-N 3.3Å; R76-L79 WeakPolarHBondContact O-CB 3.28Å; R76-L79 PolarHBondContact O-N 3.29Å; L79-Y81 PolarHBondContact O-N 3.39Å; L79-Y158 HydrophobicContact CD1-CE2 3.56Å
80	P	50.6	Low	50.5	Low	92 Å²	92	98.5 Å²	98.5	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-64.3	-24.7	177	-22.1	34.7	0	0	0	114.1	S77 L78	S77-P80 VanDerWaalsContact O-CD 3.31Å; S77-P80 WeakPolarHBondContact O-CD 3.32Å; L78-P80 VanDerWaalsContact C-N 3.34Å
81	Y	53.9	Low	49.1	Very low	158 Å²	158	99.5 Å²	99.5	62%	0.62	53%	0.53	S	S	*	.	H	α-helix	trans	-91.1	-18.3	-173.7	-57.8	-81.6	0	0	0	113.1	L78 L79	L78-Y81 PolarHBondContact O-N 2.8Å; L79-Y81 PolarHBondContact O-N 3.39Å
82	D	50.2	Low	47.2	Very low	34 Å²	34	108.5 Å²	108.5	18%	0.182	57%	0.57	C	S	.	*	H	α-helix	trans	-71.1	-31.6	-179.8	-155	47.3	0	0	0	112	A84 S156 Y158 H159	D82-A84 VanDerWaalsContact C-N 3.29Å; D82-A84 PolarHBondContact O-N 3.26Å; D82-S156 PolarHBondContact OD1-OG 2.76Å; D82-Y158 HydrophobicContact CB-CG 4.25Å; D82-H159 IonicContact OD1-CE1 3.49Å; D82-H159 IonicContact OD1-ND1 3.58Å
83	N	39.6	Very low	45.1	Very low	109 Å²	109	109 Å²	109	58%	0.583	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-8.6	-179.2	-73.3	-22.1	0	0	0	114.5	L85	N83-L85 VanDerWaalsContact C-N 3.3Å; N83-L85 PolarHBondContact O-N 3.2Å
84	A	34.1	Very low	43.3	Very low	81 Å²	81	106.8 Å²	106.8	67%	0.669	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-17.1	-176.7	0	0	0	0	0	113.5	D82	D82-A84 VanDerWaalsContact C-N 3.29Å; D82-A84 PolarHBondContact O-N 3.26Å
85	L	33.8	Very low	41.3	Very low	140 Å²	140	113.6 Å²	113.6	73%	0.733	62%	0.615	S	S	*	*	S	Bend	trans	-97.7	-16.3	-177.3	-77.3	163.5	0	0	0	114.6	N83	N83-L85 VanDerWaalsContact C-N 3.3Å; N83-L85 PolarHBondContact O-N 3.2Å
86	Q	31.4	Very low	39	Very low	157 Å²	157	119.2 Å²	119.2	73%	0.734	64%	0.638	S	S	*	*	S	Bend	trans	-94.4	-6.3	-178.2	-66.1	-168.5	14.6	0	0	114.7
87	L	25.2	Very low	37	Very low	148 Å²	148	117 Å²	117	78%	0.775	64%	0.64	S	S	*	*	S	Bend	trans	-105.1	60.8	-178.6	-71.9	168.7	0	0	0	112.4
88	S	26.4	Very low	34.9	Very low	85 Å²	85	117.6 Å²	117.6	59%	0.594	66%	0.657	S	S	*	*			trans	-160.2	74.7	155.6	69.1	0	0	0	0	115.3	L90	S88-L90 VanDerWaalsContact C-N 3.34Å
89	P	29.5	Very low	32.7	Very low	123 Å²	123	121.5 Å²	121.5	80%	0.799	69%	0.686	S	S	*	*	S	Bend	trans	-83.2	-3.8	166	-11.7	28.9	0	0	0	114.5
90	L	28.5	Very low	31	Very low	170 Å²	170	124.6 Å²	124.6	89%	0.89	70%	0.703	S	S	*	*	S	Bend	trans	-105.1	7.6	-172	-89.8	162.8	0	0	0	116	S88	S88-L90 VanDerWaalsContact C-N 3.34Å
91	A	28.5	Very low	29.7	Very low	71 Å²	71	129 Å²	129	59%	0.587	72%	0.72	S	S	*	*	S	Bend	trans	-100.2	-3.4	178.9	0	0	0	0	0	115
92	F	25	Very low	28.4	Very low	193 Å²	193	131 Å²	131	85%	0.846	73%	0.732	S	S	*	*			trans	-135.1	60.2	-179.4	-71.6	-82.5	0	0	0	111.4	P94	F92-P94 WeakPolarHBondContact O-CD 3.36Å
93	A	22.8	Very low	27.1	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	77%	0.765	S	S	*	*			trans	-89.4	98.6	155.5	0	0	0	0	0	107	Q95	A93-Q95 PolarHBondContact O-N 3.04Å; A93-Q95 VanDerWaalsContact O-N 3.13Å
94	P	25.8	Very low	26.4	Very low	99 Å²	99	133.1 Å²	133.1	64%	0.643	78%	0.778	S	S	*	*			trans	-64.6	117.4	177.1	25.8	-30.9	0	0	0	108.1	F92 Y96	F92-P94 WeakPolarHBondContact O-CD 3.36Å; P94-Y96 HydrophobicContact CB-CD2 4.28Å; P94-Y96 HydrophobicContact CB-CE2 4.43Å; P94-Y96 HydrophobicContact CG-CD2 4.21Å; P94-Y96 HydrophobicContact CG-CE2 4.26Å; P94-Y96 PolarHBondContact O-N 3.29Å
95	Q	24	Very low	25.9	Very low	180 Å²	180	139 Å²	139	84%	0.841	79%	0.788	S	S	*	*			trans	-62.6	88.8	169.1	-68.5	-179.8	-6.2	0	0	108.3	A93 N97	A93-Q95 PolarHBondContact O-N 3.04Å; A93-Q95 VanDerWaalsContact O-N 3.13Å; Q95-N97 VanDerWaalsContact C-N 3.3Å; Q95-N97 PolarHBondContact O-N 3.46Å
96	Y	22.4	Very low	25.3	Very low	209 Å²	209	140.9 Å²	140.9	82%	0.82	80%	0.795	S	S	*	*			trans	-71.9	89.9	167.7	-98	-88.8	0	0	0	108.2	P94 G98	P94-Y96 HydrophobicContact CB-CD2 4.28Å; P94-Y96 HydrophobicContact CB-CE2 4.43Å; P94-Y96 HydrophobicContact CG-CD2 4.21Å; P94-Y96 HydrophobicContact CG-CE2 4.26Å; P94-Y96 PolarHBondContact O-N 3.29Å; Y96-G98 VanDerWaalsContact C-N 3.32Å; Y96-G98 PolarHBondContact O-N 2.87Å
97	N	26.4	Very low	25	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	80%	0.8	S	S	*	*			trans	-68.2	94.7	160.7	-85.8	-14.5	0	0	0	108	Q95 S99	Q95-N97 VanDerWaalsContact C-N 3.3Å; Q95-N97 PolarHBondContact O-N 3.46Å; N97-S99 PolarHBondContact O-N 3.26Å; N97-S99 VanDerWaalsContact O-N 3.13Å
98	G	22.7	Very low	25	Very low	80 Å²	80	141 Å²	141	83%	0.825	80%	0.801	S	S	*	*			trans	-72.6	95.5	174.1	0	0	0	0	0	111	Y96	Y96-G98 VanDerWaalsContact C-N 3.32Å; Y96-G98 PolarHBondContact O-N 2.87Å
99	S	23.9	Very low	24.9	Very low	99 Å²	99	146.2 Å²	146.2	69%	0.692	82%	0.816	S	S	*	*			trans	-146.9	128.5	160	57.2	0	0	0	0	110	N97	N97-S99 PolarHBondContact O-N 3.26Å; N97-S99 VanDerWaalsContact O-N 3.13Å
100	N	25.9	Very low	24.6	Very low	156 Å²	156	148.3 Å²	148.3	83%	0.834	82%	0.82	S	S	*	*			trans	81	72.8	172	-65.4	-27.2	0	0	0	118.4
101	L	23.7	Very low	24.5	Very low	185 Å²	185	143.5 Å²	143.5	97%	0.969	81%	0.812	S	S	*	*			trans	-97.2	89.5	146.1	-85	151.7	0	0	0	108.5
102	K	25.8	Very low	24.4	Very low	201 Å²	201	149.5 Å²	149.5	87%	0.874	83%	0.828	S	S	*	*			trans	-118.8	118.4	157.1	-86.7	-171.3	176.8	-179.7	0	107.5
103	G	22.6	Very low	24.3	Very low	83 Å²	83	150.3 Å²	150.3	86%	0.856	83%	0.834	S	S	*	*			trans	-69.4	159.7	-166.3	0	0	0	0	0	114.8
104	A	25.1	Very low	24.4	Very low	104 Å²	104	149.3 Å²	149.3	86%	0.86	83%	0.833	S	S	*	*			trans	-148.9	138.6	152	0	0	0	0	0	108.2
105	K	24.7	Very low	24.3	Very low	204 Å²	204	150.4 Å²	150.4	89%	0.887	84%	0.843	S	S	*	*			trans	-64.2	145.8	-162.6	-74.7	160.9	168.1	175.8	0	114.1
106	M	20.4	Very low	24.4	Very low	179 Å²	179	147.6 Å²	147.6	88%	0.882	84%	0.838	S	S	*	*			trans	-50.1	130.3	156	-72.3	-174	172.3	0	0	111.1
107	T	26.4	Very low	24.6	Very low	137 Å²	137	142.3 Å²	142.3	84%	0.84	84%	0.838	S	S	*	*			trans	-143.5	123.7	146.9	35.9	0	0	0	0	108.9
108	H	23.7	Very low	24.4	Very low	170 Å²	170	145.8 Å²	145.8	79%	0.787	84%	0.84	S	S	*	*			trans	-53.8	143.3	168.9	-85.6	-108.3	0	0	0	111.3
109	Q	25.4	Very low	24.6	Very low	195 Å²	195	151.9 Å²	151.9	91%	0.911	84%	0.844	S	S	*	*				-171.9	141.8	124.8	-101.1	164.9	49.6	0	0	112.6
110	N	23.6	Very low	24.7	Very low	167 Å²	167	154 Å²	154	89%	0.893	85%	0.847	S	S	*	*			trans	-59.8	143.2	-177.1	-65.5	-33.2	0	0	0	113.1
111	G	25.3	Very low	24.7	Very low	70 Å²	70	150.4 Å²	150.4	72%	0.722	85%	0.847	S	S	*	*			trans	-170.5	89.7	172.6	0	0	0	0	0	113.3
112	Q	26.2	Very low	24.9	Very low	197 Å²	197	147.5 Å²	147.5	92%	0.921	84%	0.842	S	S	*	*			trans	49.9	114.4	146.4	-68.9	176.8	-45.4	0	0	120.2	G114	Q112-G114 PolarHBondContact O-N 3.07Å
113	E	23.9	Very low	24.9	Very low	209 Å²	209	141.7 Å²	141.7	98%	0.977	84%	0.84	S	S	*	*			trans	-62.4	107	171.8	-64.9	173.9	154.5	0	0	111.9
114	G	25.1	Very low	25.2	Very low	66 Å²	66	141.7 Å²	141.7	68%	0.68	84%	0.84	S	S	*	*			trans	-119.4	104.6	165.4	0	0	0	0	0	109.3	Q112 T116	Q112-G114 PolarHBondContact O-N 3.07Å; G114-T116 PolarHBondContact O-N 2.85Å
115	S	24	Very low	25.8	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	83%	0.832	S	S	*	*			trans	-62	109.5	-179.9	176.4	0	0	0	0	112.2
116	T	25.5	Very low	26.8	Very low	120 Å²	120	139.7 Å²	139.7	74%	0.736	83%	0.827	S	S	*	*			trans	-129.9	106.7	158.3	56	0	0	0	0	109.1	G114 R118	G114-T116 PolarHBondContact O-N 2.85Å; T116-R118 PolarHBondContact O-N 3.42Å
117	A	25.5	Very low	28.6	Very low	99 Å²	99	137.1 Å²	137.1	82%	0.818	81%	0.813	S	S	*	*			trans	-56.1	104.2	179.3	0	0	0	0	0	111.8
118	R	23.2	Very low	30.6	Very low	219 Å²	219	132.9 Å²	132.9	83%	0.826	79%	0.788	S	S	*	*			trans	-86.1	115.7	163.8	-75.9	-173.9	176.2	-174.9	-0.4	108.9	T116 D120	T116-R118 PolarHBondContact O-N 3.42Å; R118-D120 PolarHBondContact O-N 3.38Å; R118-D120 VanDerWaalsContact O-N 3.14Å
119	K	25.9	Very low	33	Very low	207 Å²	207	128.6 Å²	128.6	90%	0.9	77%	0.773	S	S	*	*			trans	-71.7	90.1	168.9	-75	177.2	173.3	176.9	0	108.4
120	D	27.2	Very low	35.3	Very low	144 Å²	144	122.5 Å²	122.5	77%	0.77	75%	0.749	S	S	*	*			trans	-93.2	131.5	166.2	-73.9	-33.5	0	0	0	109.9	R118 S122	R118-D120 PolarHBondContact O-N 3.38Å; R118-D120 VanDerWaalsContact O-N 3.14Å; D120-S122 PolarHBondContact O-N 2.83Å
121	G	25.9	Very low	37.8	Very low	81 Å²	81	115 Å²	115	84%	0.835	71%	0.709	S	S	*	*			trans	-66.5	119.9	-166.1	0	0	0	0	0	113.9	G123	G121-G123 PolarHBondContact O-N 2.88Å
122	S	27.4	Very low	40.2	Very low	123 Å²	123	113.1 Å²	113.1	86%	0.86	68%	0.682	S	S	*	*			trans	-82.9	85.9	166.7	60.5	0	0	0	0	110.2	D120	D120-S122 PolarHBondContact O-N 2.83Å
123	G	25.3	Very low	42.5	Very low	80 Å²	80	109 Å²	109	83%	0.825	66%	0.663	S	S	*	*			trans	-92.1	118.9	157.2	0	0	0	0	0	109.1	G121	G121-G123 PolarHBondContact O-N 2.88Å
124	G	30.1	Very low	44.8	Very low	83 Å²	83	100.3 Å²	100.3	86%	0.856	63%	0.627	S	S	*	*	S	Bend	trans	107.6	57.1	160.3	0	0	0	0	0	117.9
125	S	37.3	Very low	47.2	Very low	99 Å²	99	97.2 Å²	97.2	69%	0.692	60%	0.595	S	S	*	*			trans	-147.6	118.4	147.3	57.2	0	0	0	0	108.7	Q127	S125-Q127 PolarHBondContact O-N 3.19Å; S125-Q127 VanDerWaalsContact O-N 3.12Å
126	Q	45.1	Very low	49.5	Very low	166 Å²	166	94 Å²	94	78%	0.776	57%	0.57	S	S	*	*			trans	-59.7	118.8	169.3	-72.1	-179	-5	0	0	106.7
127	Q	58.5	Low	51.6	Low	126 Å²	126	94.8 Å²	94.8	59%	0.589	57%	0.57	S	S	*	*			trans	-59.8	133.9	-167.5	-71.3	179	-12.6	0	0	110.5	S125 V129 T130	S125-Q127 PolarHBondContact O-N 3.19Å; S125-Q127 VanDerWaalsContact O-N 3.12Å; Q127-V129 PolarHBondContact O-N 3.39Å; Q127-T130 HydrophobicContact CB-CG2 4.36Å; Q127-T130 PolarHBondContact O-N 2.87Å; Q127-T130 PolarHBondContact O-OG1 2.88Å
128	P	68.9	Low	53.7	Low	48 Å²	48	93.4 Å²	93.4	31%	0.312	55%	0.547	S	S	.	.	H	α-helix	trans	-45	-33.6	174.7	-34.4	37.9	0	0	0	114.5	M131 L132 W146 F154	P128-M131 PolarHBondContact O-N 3.45Å; P128-L132 WeakPolarHBondContact O-CB 3.33Å; P128-L132 PolarHBondContact O-N 2.66Å; P128-W146 HydrophobicContact CB-CZ3 4.31Å; P128-F154 HydrophobicContact CB-CD1 3.89Å; P128-F154 HydrophobicContact CB-CE1 3.57Å; P128-F154 HydrophobicContact CB-CZ 4.21Å; P128-F154 HydrophobicContact CG-CD1 4.16Å; P128-F154 HydrophobicContact CG-CE1 4.12Å
129	V	73.6	Confident	56	Low	80 Å²	80	86 Å²	86	49%	0.485	54%	0.539	S	S	.	.	H	α-helix	trans	-62.3	-45.2	178.6	-176.7	0	0	0	0	111.6	Q127 M131 L132 E133	Q127-V129 PolarHBondContact O-N 3.39Å; V129-M131 VanDerWaalsContact C-N 3.34Å; V129-M131 PolarHBondContact O-N 3.29Å; V129-L132 PolarHBondContact O-N 3.14Å; V129-E133 HydrophobicContact CG1-CG 4.45Å; V129-E133 WeakPolarHBondContact O-CB 3.4Å; V129-E133 WeakPolarHBondContact O-CG 3.29Å; V129-E133 PolarHBondContact O-N 3.04Å
130	T	73	Confident	58.4	Low	66 Å²	66	76.7 Å²	76.7	41%	0.405	50%	0.499	S	S	.	.	H	α-helix	trans	-66.7	-35.2	-178.4	62	0	0	0	0	112.6	Q127 A134	Q127-T130 HydrophobicContact CB-CG2 4.36Å; Q127-T130 PolarHBondContact O-N 2.87Å; Q127-T130 PolarHBondContact O-OG1 2.88Å; T130-A134 WeakPolarHBondContact O-CB 3.36Å; T130-A134 PolarHBondContact O-N 3.15Å
131	M	77.7	Confident	60.9	Low	9 Å²	9	73.6 Å²	73.6	4%	0.044	48%	0.482	C	S	.	.	H	α-helix	trans	-70.8	-40.2	175	-64.8	-179.9	75.6	0	0	111.3	P128 V129 A134 L135 L149 F154 L157 V160	P128-M131 PolarHBondContact O-N 3.45Å; V129-M131 VanDerWaalsContact C-N 3.34Å; V129-M131 PolarHBondContact O-N 3.29Å; M131-A134 PolarHBondContact O-N 3.23Å; M131-L135 WeakPolarHBondContact O-CG 3.33Å; M131-L135 PolarHBondContact O-N 3.14Å; M131-L149 HydrophobicContact CB-CD1 4.29Å; M131-L149 HydrophobicContact CB-CD2 3.68Å; M131-L149 HydrophobicContact CE-CD2 3.68Å; M131-L149 HydrophobicContact SD-CD2 4.09Å; M131-F154 HydrophobicContact SD-CB 4.22Å; M131-L157 HydrophobicContact CB-CD2 4.16Å; M131-L157 HydrophobicContact CE-CD2 4.31Å; M131-L157 HydrophobicContact CE-CG 4.18Å; M131-V160 HydrophobicContact CE-CG2 4.36Å
132	L	75.4	Confident	63.6	Low	31 Å²	31	73.5 Å²	73.5	16%	0.162	47%	0.466	C	S	.	.	H	α-helix	trans	-62.9	-46.2	175.5	-176.8	64.4	0	0	0	111.1	P128 V129 A134 L135 V136 T142 A145 W146 L149	P128-L132 WeakPolarHBondContact O-CB 3.33Å; P128-L132 PolarHBondContact O-N 2.66Å; V129-L132 PolarHBondContact O-N 3.14Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.24Å; L132-L135 PolarHBondContact O-N 2.96Å; L132-V136 HydrophobicContact CD1-CG2 4.49Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 3.07Å; L132-T142 HydrophobicContact CD1-CG2 4.25Å; L132-T142 HydrophobicContact CD2-CG2 4.16Å; L132-T142 HydrophobicContact CG-CG2 4.41Å; L132-A145 HydrophobicContact CD1-CB 3.82Å; L132-W146 HydrophobicContact CD1-CB 3.98Å; L132-W146 HydrophobicContact CD1-CE3 4.22Å; L132-W146 HydrophobicContact CD2-CE3 3.79Å; L132-W146 HydrophobicContact CD2-CZ3 4.26Å; L132-W146 HydrophobicContact CG-CE3 4.4Å; L132-L149 HydrophobicContact CB-CD1 3.84Å; L132-L149 HydrophobicContact CD1-CD1 4Å
133	E	73.6	Confident	66.1	Low	110 Å²	110	72.7 Å²	72.7	51%	0.514	45%	0.448	S	S	.	.	H	α-helix	trans	-59.5	-43.5	175.4	-75.7	175.1	178	0	0	111.9	V129 L135 V136 N137	V129-E133 HydrophobicContact CG1-CG 4.45Å; V129-E133 WeakPolarHBondContact O-CB 3.4Å; V129-E133 WeakPolarHBondContact O-CG 3.29Å; V129-E133 PolarHBondContact O-N 3.04Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 2.82Å; E133-V136 PolarHBondContact O-N 3.36Å; E133-N137 VanDerWaalsContact O-CB 3.27Å; E133-N137 WeakPolarHBondContact O-CB 3.44Å; E133-N137 PolarHBondContact O-N 3.3Å; E133-N137 PolarHBondContact O-ND2 3.2Å; E133-N137 VanDerWaalsContact O-ND2 3.11Å
134	A	72.5	Confident	68.7	Low	28 Å²	28	71.6 Å²	71.6	23%	0.231	43%	0.425	C	S	.	.	H	α-helix	trans	-59.7	-42.3	176.4	0	0	0	0	0	111.9	T130 M131 L132 N137 M138 L157	T130-A134 WeakPolarHBondContact O-CB 3.36Å; T130-A134 PolarHBondContact O-N 3.15Å; M131-A134 PolarHBondContact O-N 3.23Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.24Å; A134-N137 PolarHBondContact O-N 3.41Å; A134-M138 VanDerWaalsContact O-CG 3.25Å; A134-M138 WeakPolarHBondContact O-CG 3.33Å; A134-M138 PolarHBondContact O-N 3.05Å; A134-L157 HydrophobicContact CB-CD1 3.95Å; A134-L157 HydrophobicContact CB-CD2 4.32Å
135	L	75.2	Confident	71.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-69	-42.7	178	-69	164.6	0	0	0	112.2	M131 L132 E133 N137 M138 G139 F140 A145 L149 L157 V160 V161	M131-L135 WeakPolarHBondContact O-CG 3.33Å; M131-L135 PolarHBondContact O-N 3.14Å; L132-L135 PolarHBondContact O-N 2.96Å; E133-L135 VanDerWaalsContact C-N 3.32Å; E133-L135 PolarHBondContact O-N 2.82Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.06Å; L135-M138 CarbonylContact O-C 3.56Å; L135-M138 WeakPolarHBondContact O-CA 3.37Å; L135-M138 WeakPolarHBondContact O-CB 3.34Å; L135-M138 PolarHBondContact O-N 2.88Å; L135-M138 VanDerWaalsContact O-N 3.07Å; L135-G139 PolarHBondContact O-N 3.29Å; L135-F140 HydrophobicContact CB-CB 4.47Å; L135-F140 HydrophobicContact CB-CD2 3.96Å; L135-F140 HydrophobicContact CD2-CD2 3.73Å; L135-F140 HydrophobicContact CD2-CE2 3.92Å; L135-F140 HydrophobicContact CG-CD2 4.47Å; L135-F140 WeakPolarHBondContact O-CB 3.47Å; L135-F140 WeakPolarHBondContact O-CD2 3.31Å; L135-F140 PolarHBondContact O-N 3.05Å; L135-F140 VanDerWaalsContact O-N 3.1Å; L135-A145 HydrophobicContact CB-CB 3.74Å; L135-A145 HydrophobicContact CD1-CB 3.98Å; L135-A145 HydrophobicContact CG-CB 4.48Å; L135-L149 HydrophobicContact CD1-CD1 3.75Å; L135-L149 HydrophobicContact CD1-CD2 4.03Å; L135-L149 HydrophobicContact CD1-CG 3.69Å; L135-L157 HydrophobicContact CD1-CD2 4.14Å; L135-L157 HydrophobicContact CD2-CD2 3.9Å; L135-L157 HydrophobicContact CG-CD2 3.71Å; L135-V160 HydrophobicContact CD1-CB 4.5Å; L135-V160 HydrophobicContact CD1-CG1 3.64Å; L135-V160 HydrophobicContact CD2-CG1 4.14Å; L135-V161 HydrophobicContact CD2-CG2 4.21Å
136	V	73.1	Confident	73.4	Confident	54 Å²	54	67 Å²	67	33%	0.327	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-40.8	175.8	173.5	0	0	0	0	110.5	L132 E133 M138 G139 T142	L132-V136 HydrophobicContact CD1-CG2 4.49Å; L132-V136 WeakPolarHBondContact O-CG2 3.39Å; L132-V136 PolarHBondContact O-N 3.07Å; E133-V136 PolarHBondContact O-N 3.36Å; V136-M138 VanDerWaalsContact C-N 3.27Å; V136-M138 PolarHBondContact O-N 2.83Å; V136-G139 WeakPolarHBondContact O-CA 3.32Å; V136-G139 PolarHBondContact O-N 2.76Å; V136-T142 HydrophobicContact CG2-CG2 4.14Å
137	N	69.9	Low	75.3	Confident	137 Å²	137	64 Å²	64	73%	0.733	35%	0.353	S	S	*	.	H	α-helix	trans	-67.6	-24.8	174.7	-71.8	-29.7	0	0	0	113.3	E133 A134 L135 G139	E133-N137 VanDerWaalsContact O-CB 3.27Å; E133-N137 WeakPolarHBondContact O-CB 3.44Å; E133-N137 PolarHBondContact O-N 3.3Å; E133-N137 PolarHBondContact O-ND2 3.2Å; E133-N137 VanDerWaalsContact O-ND2 3.11Å; A134-N137 PolarHBondContact O-N 3.41Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.06Å; N137-G139 PolarHBondContact O-N 2.52Å
138	M	69.8	Low	76.6	Confident	70 Å²	70	58 Å²	58	35%	0.345	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.9	169.2	-72.3	175.9	-175.7	0	0	113.1	I74 L78 A134 L135 V136 F140	I74-M138 HydrophobicContact CG2-CE 4.48Å; I74-M138 HydrophobicContact CG2-SD 3.8Å; L78-M138 HydrophobicContact CD2-CE 4.37Å; A134-M138 VanDerWaalsContact O-CG 3.25Å; A134-M138 WeakPolarHBondContact O-CG 3.33Å; A134-M138 PolarHBondContact O-N 3.05Å; L135-M138 CarbonylContact O-C 3.56Å; L135-M138 WeakPolarHBondContact O-CA 3.37Å; L135-M138 WeakPolarHBondContact O-CB 3.34Å; L135-M138 PolarHBondContact O-N 2.88Å; L135-M138 VanDerWaalsContact O-N 3.07Å; V136-M138 VanDerWaalsContact C-N 3.27Å; V136-M138 PolarHBondContact O-N 2.83Å; M138-F140 HydrophobicContact CB-CD2 3.89Å; M138-F140 HydrophobicContact CB-CE2 3.74Å; M138-F140 HydrophobicContact SD-CE2 4.32Å
139	G	71.7	Confident	77.4	Confident	64 Å²	64	55.8 Å²	55.8	66%	0.66	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	13.4	177.1	0	0	0	0	0	114.6	L135 V136 N137	L135-G139 PolarHBondContact O-N 3.29Å; V136-G139 WeakPolarHBondContact O-CA 3.32Å; V136-G139 PolarHBondContact O-N 2.76Å; N137-G139 PolarHBondContact O-N 2.52Å
140	F	76.2	Confident	77.9	Confident	11 Å²	11	56.6 Å²	56.6	5%	0.048	31%	0.308	C	S	.	.			trans	-78.8	143.2	171.4	-60	-64.4	0	0	0	110.8	L71 I74 L135 M138 A145 V161 M164	L71-F140 HydrophobicContact CD2-CE1 3.45Å; L71-F140 VanDerWaalsContact CD2-CE1 3.45Å; L71-F140 HydrophobicContact CD2-CZ 3.42Å; L71-F140 VanDerWaalsContact CD2-CZ 3.42Å; L71-F140 HydrophobicContact CG-CE1 4.48Å; I74-F140 HydrophobicContact CD1-CE2 4.36Å; I74-F140 HydrophobicContact CD1-CZ 4.03Å; L135-F140 HydrophobicContact CB-CB 4.47Å; L135-F140 HydrophobicContact CB-CD2 3.96Å; L135-F140 HydrophobicContact CD2-CD2 3.73Å; L135-F140 HydrophobicContact CD2-CE2 3.92Å; L135-F140 HydrophobicContact CG-CD2 4.47Å; L135-F140 WeakPolarHBondContact O-CB 3.47Å; L135-F140 WeakPolarHBondContact O-CD2 3.31Å; L135-F140 PolarHBondContact O-N 3.05Å; L135-F140 VanDerWaalsContact O-N 3.1Å; M138-F140 HydrophobicContact CB-CD2 3.89Å; M138-F140 HydrophobicContact CB-CE2 3.74Å; M138-F140 HydrophobicContact SD-CE2 4.32Å; F140-A145 HydrophobicContact CB-CB 4.13Å; F140-V161 HydrophobicContact CE2-CG2 4.48Å; F140-M164 HydrophobicContact CB-CE 4.28Å; F140-M164 HydrophobicContact CD1-CE 3.25Å; F140-M164 HydrophobicContact CD1-SD 4.18Å; F140-M164 HydrophobicContact CE1-CE 3.69Å; F140-M164 HydrophobicContact CE1-SD 4.34Å; F140-M164 HydrophobicContact CG-CE 3.8Å; F140-M164 HydrophobicContact CG-SD 4.36Å
141	D	79.8	Confident	78.5	Confident	80 Å²	80	55.5 Å²	55.5	43%	0.428	31%	0.306	S	S	.	.			trans	-65.4	142.4	170.5	65.2	100.7	0	0	0	110.1	E143 T144 A145	D141-E143 PolarHBondContact O-N 3.18Å; D141-T144 VanDerWaalsContact CG-CB 3.46Å; D141-T144 PolarHBondContact O-N 3.3Å; D141-T144 WeakPolarHBondContact OD1-CB 3.49Å; D141-T144 PolarHBondContact OD1-N 3.08Å; D141-T144 PolarHBondContact OD1-OG1 3.16Å; D141-T144 WeakPolarHBondContact OD2-CB 3.43Å; D141-T144 PolarHBondContact OD2-OG1 2.87Å; D141-A145 VanDerWaalsContact O-CB 3.3Å; D141-A145 WeakPolarHBondContact O-CB 3.49Å; D141-A145 PolarHBondContact O-N 3.41Å
142	T	81.4	Confident	78.8	Confident	79 Å²	79	55.7 Å²	55.7	49%	0.485	31%	0.307	S	S	.	.	H	α-helix	trans	-59.5	-36.7	-171.5	-46.8	0	0	0	0	112.2	L132 V136 W146	L132-T142 HydrophobicContact CD1-CG2 4.25Å; L132-T142 HydrophobicContact CD2-CG2 4.16Å; L132-T142 HydrophobicContact CG-CG2 4.41Å; V136-T142 HydrophobicContact CG2-CG2 4.14Å; T142-W146 WeakPolarHBondContact O-CB 3.46Å; T142-W146 PolarHBondContact O-N 3.25Å
143	E	80.1	Confident	79.4	Confident	106 Å²	106	61.5 Å²	61.5	50%	0.495	33%	0.333	S	S	.	.	H	α-helix	trans	-72.3	-47.9	-177.7	-172.7	55.7	-145.2	0	0	111.8	D141 A145 W146 Q147	D141-E143 PolarHBondContact O-N 3.18Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 2.81Å; E143-W146 PolarHBondContact O-N 3.18Å; E143-Q147 WeakPolarHBondContact O-CG 3.47Å; E143-Q147 PolarHBondContact O-N 3.4Å; E143-Q147 PolarHBondContact OE1-NE2 3.28Å
144	T	80.7	Confident	79.8	Confident	56 Å²	56	59.4 Å²	59.4	34%	0.344	32%	0.322	S	S	.	.	H	α-helix	trans	-64.2	-40.8	176.7	-55.8	0	0	0	0	111.1	D141 Q147 A148 M164	D141-T144 VanDerWaalsContact CG-CB 3.46Å; D141-T144 PolarHBondContact O-N 3.3Å; D141-T144 WeakPolarHBondContact OD1-CB 3.49Å; D141-T144 PolarHBondContact OD1-N 3.08Å; D141-T144 PolarHBondContact OD1-OG1 3.16Å; D141-T144 WeakPolarHBondContact OD2-CB 3.43Å; D141-T144 PolarHBondContact OD2-OG1 2.87Å; T144-Q147 PolarHBondContact O-N 3.21Å; T144-A148 VanDerWaalsContact O-CB 3.29Å; T144-A148 WeakPolarHBondContact O-CB 3.33Å; T144-A148 PolarHBondContact O-N 3.36Å; T144-M164 HydrophobicContact CG2-CE 3.79Å
145	A	82.9	Confident	79.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-44.8	174.9	0	0	0	0	0	111.5	L132 L135 F140 D141 E143 A148 L149	L132-A145 HydrophobicContact CD1-CB 3.82Å; L135-A145 HydrophobicContact CB-CB 3.74Å; L135-A145 HydrophobicContact CD1-CB 3.98Å; L135-A145 HydrophobicContact CG-CB 4.48Å; F140-A145 HydrophobicContact CB-CB 4.13Å; D141-A145 VanDerWaalsContact O-CB 3.3Å; D141-A145 WeakPolarHBondContact O-CB 3.49Å; D141-A145 PolarHBondContact O-N 3.41Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 2.81Å; A145-A148 PolarHBondContact O-N 3.16Å; A145-L149 WeakPolarHBondContact O-CB 3.27Å; A145-L149 VanDerWaalsContact O-CG 3.31Å; A145-L149 WeakPolarHBondContact O-CG 3.08Å; A145-L149 PolarHBondContact O-N 2.99Å
146	W	83.1	Confident	80.1	Confident	87 Å²	87	64.7 Å²	64.7	33%	0.33	34%	0.344	S	S	.	.	H	α-helix	trans	-65.7	-40.5	178.1	-176.5	-119.6	0	0	0	112.9	P128 L132 T142 E143 L149 K150 F154	P128-W146 HydrophobicContact CB-CZ3 4.31Å; L132-W146 HydrophobicContact CD1-CB 3.98Å; L132-W146 HydrophobicContact CD1-CE3 4.22Å; L132-W146 HydrophobicContact CD2-CE3 3.79Å; L132-W146 HydrophobicContact CD2-CZ3 4.26Å; L132-W146 HydrophobicContact CG-CE3 4.4Å; T142-W146 WeakPolarHBondContact O-CB 3.46Å; T142-W146 PolarHBondContact O-N 3.25Å; E143-W146 PolarHBondContact O-N 3.18Å; W146-L149 HydrophobicContact CE3-CD1 4.43Å; W146-L149 PolarHBondContact O-N 3.25Å; W146-K150 VanDerWaalsContact CD1-CE 3.4Å; W146-K150 WeakPolarHBondContact O-CE 3.27Å; W146-K150 WeakPolarHBondContact O-CG 3.25Å; W146-K150 PolarHBondContact O-N 2.88Å; W146-F154 HydrophobicContact CH2-CZ 4.31Å; W146-F154 HydrophobicContact CZ3-CE1 4.09Å; W146-F154 HydrophobicContact CZ3-CZ 4.28Å
147	Q	85	Confident	80.3	Confident	101 Å²	101	64.1 Å²	64.1	47%	0.472	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-42.4	175.1	-71.5	-178.8	18.2	0	0	111.9	E143 T144 K150 A151	E143-Q147 WeakPolarHBondContact O-CG 3.47Å; E143-Q147 PolarHBondContact O-N 3.4Å; E143-Q147 PolarHBondContact OE1-NE2 3.28Å; T144-Q147 PolarHBondContact O-N 3.21Å; Q147-K150 PolarHBondContact O-N 2.72Å; Q147-A151 WeakPolarHBondContact O-CB 3.37Å; Q147-A151 PolarHBondContact O-N 3.3Å
148	A	84.6	Confident	80.8	Confident	2 Å²	2	59 Å²	59	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-65.4	-38.3	177.2	0	0	0	0	0	112.1	T144 A145 A151 T152 V160 Y163 M164	T144-A148 VanDerWaalsContact O-CB 3.29Å; T144-A148 WeakPolarHBondContact O-CB 3.33Å; T144-A148 PolarHBondContact O-N 3.36Å; A145-A148 PolarHBondContact O-N 3.16Å; A148-A151 PolarHBondContact O-N 2.89Å; A148-T152 WeakPolarHBondContact O-CG2 3.46Å; A148-T152 PolarHBondContact O-N 3.22Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 3.44Å; A148-V160 HydrophobicContact CB-CG1 3.64Å; A148-Y163 HydrophobicContact CB-CD1 3.97Å; A148-Y163 HydrophobicContact CB-CE1 4.43Å; A148-M164 HydrophobicContact CB-CG 3.57Å; A148-M164 HydrophobicContact CB-SD 3.95Å
149	L	86.1	Confident	81.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-46.9	172.4	-79.5	167	0	0	0	112.3	M131 L132 L135 A145 W146 A151 T152 H153 F154 V160	M131-L149 HydrophobicContact CB-CD1 4.29Å; M131-L149 HydrophobicContact CB-CD2 3.68Å; M131-L149 HydrophobicContact CE-CD2 3.68Å; M131-L149 HydrophobicContact SD-CD2 4.09Å; L132-L149 HydrophobicContact CB-CD1 3.84Å; L132-L149 HydrophobicContact CD1-CD1 4Å; L135-L149 HydrophobicContact CD1-CD1 3.75Å; L135-L149 HydrophobicContact CD1-CD2 4.03Å; L135-L149 HydrophobicContact CD1-CG 3.69Å; A145-L149 WeakPolarHBondContact O-CB 3.27Å; A145-L149 VanDerWaalsContact O-CG 3.31Å; A145-L149 WeakPolarHBondContact O-CG 3.08Å; A145-L149 PolarHBondContact O-N 2.99Å; W146-L149 HydrophobicContact CE3-CD1 4.43Å; W146-L149 PolarHBondContact O-N 3.25Å; L149-A151 PolarHBondContact O-N 3.33Å; L149-T152 PolarHBondContact O-N 3.13Å; L149-T152 PolarHBondContact O-OG1 3.23Å; L149-H153 PolarHBondContact O-N 3.44Å; L149-F154 HydrophobicContact CB-CD1 3.88Å; L149-F154 HydrophobicContact CB-CE1 3.62Å; L149-F154 HydrophobicContact CB-CZ 4.3Å; L149-F154 HydrophobicContact CD1-CE1 4.36Å; L149-F154 HydrophobicContact CD2-CD1 3.92Å; L149-F154 HydrophobicContact CD2-CE1 4.4Å; L149-F154 HydrophobicContact CG-CD1 4.37Å; L149-F154 HydrophobicContact CG-CE1 4.36Å; L149-F154 PolarHBondContact O-N 3.48Å; L149-V160 HydrophobicContact CD2-CG2 3.52Å; L149-V160 HydrophobicContact CG-CG1 4.38Å; L149-V160 HydrophobicContact CG-CG2 4.16Å
150	K	85.1	Confident	81.8	Confident	97 Å²	97	55.7 Å²	55.7	42%	0.422	28%	0.277	S	S	.	.	H	α-helix	trans	-61.6	-43.4	175.9	-75.9	-177.4	-68.6	-176.9	0	112	W146 Q147 T152 H153 F154	W146-K150 VanDerWaalsContact CD1-CE 3.4Å; W146-K150 WeakPolarHBondContact O-CE 3.27Å; W146-K150 WeakPolarHBondContact O-CG 3.25Å; W146-K150 PolarHBondContact O-N 2.88Å; Q147-K150 PolarHBondContact O-N 2.72Å; K150-T152 VanDerWaalsContact C-N 3.26Å; K150-T152 PolarHBondContact O-N 3.37Å; K150-H153 PolarHBondContact O-N 3.29Å; K150-F154 HydrophobicContact CG-CE2 4.49Å; K150-F154 HydrophobicContact CG-CZ 4.2Å
151	A	84.6	Confident	82	Confident	44 Å²	44	55.2 Å²	55.2	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-67.7	-25.7	-178.4	0	0	0	0	0	113.6	Q147 A148 L149 Y163	Q147-A151 WeakPolarHBondContact O-CB 3.37Å; Q147-A151 PolarHBondContact O-N 3.3Å; A148-A151 PolarHBondContact O-N 2.89Å; L149-A151 PolarHBondContact O-N 3.33Å; A151-Y163 HydrophobicContact CB-CD1 4.17Å; A151-Y163 HydrophobicContact CB-CE1 3.49Å; A151-Y163 VanDerWaalsContact CB-CE1 3.49Å; A151-Y163 HydrophobicContact CB-CE2 4.06Å; A151-Y163 VanDerWaalsContact CB-CZ 3.45Å
152	T	85.4	Confident	82.1	Confident	13 Å²	13	52.3 Å²	52.3	8%	0.08	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.6	177.5	55.4	0	0	0	0	112.5	A148 L149 K150 F154 E155 H159 V160 Y163	A148-T152 WeakPolarHBondContact O-CG2 3.46Å; A148-T152 PolarHBondContact O-N 3.22Å; A148-T152 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-OG1 3.44Å; L149-T152 PolarHBondContact O-N 3.13Å; L149-T152 PolarHBondContact O-OG1 3.23Å; K150-T152 VanDerWaalsContact C-N 3.26Å; K150-T152 PolarHBondContact O-N 3.37Å; T152-F154 PolarHBondContact O-N 3Å; T152-E155 WeakPolarHBondContact O-CB 3.4Å; T152-E155 VanDerWaalsContact O-CG 3.27Å; T152-E155 WeakPolarHBondContact O-CG 3.49Å; T152-E155 PolarHBondContact O-N 3.4Å; T152-H159 HydrophobicContact CG2-CB 4.41Å; T152-V160 VanDerWaalsContact OG1-CG2 3.24Å; T152-V160 WeakPolarHBondContact OG1-CG2 3.26Å; T152-Y163 HydrophobicContact CG2-CD1 4.39Å; T152-Y163 HydrophobicContact CG2-CD2 4.38Å; T152-Y163 HydrophobicContact CG2-CG 3.88Å
153	H	86.2	Confident	82.2	Confident	153 Å²	153	52.6 Å²	52.6	71%	0.708	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	31	-179.2	-63.1	-72	0	0	0	114.4	L149 K150 E155	L149-H153 PolarHBondContact O-N 3.44Å; K150-H153 PolarHBondContact O-N 3.29Å; H153-E155 PolarHBondContact O-N 2.69Å
154	F	82.1	Confident	82.3	Confident	65 Å²	65	48 Å²	48	29%	0.285	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	27.1	-177.6	-51	-92.6	0	0	0	113.9	P128 M131 W146 L149 K150 T152	P128-F154 HydrophobicContact CB-CD1 3.89Å; P128-F154 HydrophobicContact CB-CE1 3.57Å; P128-F154 HydrophobicContact CB-CZ 4.21Å; P128-F154 HydrophobicContact CG-CD1 4.16Å; P128-F154 HydrophobicContact CG-CE1 4.12Å; M131-F154 HydrophobicContact SD-CB 4.22Å; W146-F154 HydrophobicContact CH2-CZ 4.31Å; W146-F154 HydrophobicContact CZ3-CE1 4.09Å; W146-F154 HydrophobicContact CZ3-CZ 4.28Å; L149-F154 HydrophobicContact CB-CD1 3.88Å; L149-F154 HydrophobicContact CB-CE1 3.62Å; L149-F154 HydrophobicContact CB-CZ 4.3Å; L149-F154 HydrophobicContact CD1-CE1 4.36Å; L149-F154 HydrophobicContact CD2-CD1 3.92Å; L149-F154 HydrophobicContact CD2-CE1 4.4Å; L149-F154 HydrophobicContact CG-CD1 4.37Å; L149-F154 HydrophobicContact CG-CE1 4.36Å; L149-F154 PolarHBondContact O-N 3.48Å; K150-F154 HydrophobicContact CG-CE2 4.49Å; K150-F154 HydrophobicContact CG-CZ 4.2Å; T152-F154 PolarHBondContact O-N 3Å
155	E	74.1	Confident	82.2	Confident	120 Å²	120	46.3 Å²	46.3	56%	0.561	22%	0.219	S	C	*	.			trans	-58.7	-55.8	-176.2	-82	178.2	174.4	0	0	113.2	T152 H153 H159	T152-E155 WeakPolarHBondContact O-CB 3.4Å; T152-E155 VanDerWaalsContact O-CG 3.27Å; T152-E155 WeakPolarHBondContact O-CG 3.49Å; T152-E155 PolarHBondContact O-N 3.4Å; H153-E155 PolarHBondContact O-N 2.69Å; E155-H159 HydrophobicContact CB-CB 4.39Å; E155-H159 IonicContact OE2-CD2 2.84Å; E155-H159 PolarHBondContact OE2-CD2 3.37Å; E155-H159 IonicContact OE2-CG 3.65Å; E155-H159 IonicContact OE2-NE2 3.83Å
156	S	81.5	Confident	82	Confident	19 Å²	19	52 Å²	52	13%	0.133	24%	0.244	C	C	.	.			trans	-163.2	156.8	173.4	78.8	0	0	0	0	111.2	D82 Y158 H159 V160	D82-S156 PolarHBondContact OD1-OG 2.76Å; S156-Y158 PolarHBondContact O-N 3.26Å; S156-Y158 VanDerWaalsContact O-N 3.17Å; S156-Y158 WeakPolarHBondContact OG-CB 3.14Å; S156-Y158 PolarHBondContact OG-N 3.49Å; S156-H159 PolarHBondContact O-N 2.81Å; S156-H159 VanDerWaalsContact O-N 3.11Å; S156-H159 PolarHBondContact OG-N 3.43Å; S156-H159 PolarHBondContact OG-ND1 3.43Å; S156-V160 VanDerWaalsContact O-CG2 3.31Å; S156-V160 WeakPolarHBondContact O-CG2 3.21Å; S156-V160 PolarHBondContact O-N 2.86Å; S156-V160 VanDerWaalsContact O-N 3.09Å
157	L	77.1	Confident	81.6	Confident	42 Å²	42	51.2 Å²	51.2	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-30.1	173.2	-76.8	172.8	0	0	0	111.9	L78 M131 A134 L135 V160 V161	L78-L157 HydrophobicContact CD1-CB 4.16Å; L78-L157 HydrophobicContact CD2-CB 4.44Å; M131-L157 HydrophobicContact CB-CD2 4.16Å; M131-L157 HydrophobicContact CE-CD2 4.31Å; M131-L157 HydrophobicContact CE-CG 4.18Å; A134-L157 HydrophobicContact CB-CD1 3.95Å; A134-L157 HydrophobicContact CB-CD2 4.32Å; L135-L157 HydrophobicContact CD1-CD2 4.14Å; L135-L157 HydrophobicContact CD2-CD2 3.9Å; L135-L157 HydrophobicContact CG-CD2 3.71Å; L157-V160 PolarHBondContact O-N 2.95Å; L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.39Å; L157-V161 PolarHBondContact O-N 3.45Å
158	Y	78.8	Confident	80.7	Confident	29 Å²	29	51 Å²	51	11%	0.114	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-49.1	175.2	-179.7	-89.5	0	0	0	111.6	R75 L78 L79 D82 S156 V160 V161 D162	R75-Y158 HydrophobicContact CG-CD2 4.05Å; R75-Y158 HydrophobicContact CG-CE2 3.52Å; R75-Y158 PolarHBondContact NE-OH 2.91Å; R75-Y158 PolarHBondContact NH2-OH 2.78Å; L78-Y158 HydrophobicContact CB-CD2 4.11Å; L79-Y158 HydrophobicContact CD1-CE2 3.56Å; D82-Y158 HydrophobicContact CB-CG 4.25Å; S156-Y158 PolarHBondContact O-N 3.26Å; S156-Y158 VanDerWaalsContact O-N 3.17Å; S156-Y158 WeakPolarHBondContact OG-CB 3.14Å; S156-Y158 PolarHBondContact OG-N 3.49Å; Y158-V160 VanDerWaalsContact C-N 3.31Å; Y158-V160 PolarHBondContact O-N 3.43Å; Y158-V161 PolarHBondContact O-N 3.25Å; Y158-D162 WeakPolarHBondContact O-CB 3.38Å; Y158-D162 PolarHBondContact O-N 3.45Å
159	H	81.1	Confident	79.5	Confident	66 Å²	66	53.5 Å²	53.5	31%	0.306	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-38.5	178.2	-75.1	79.7	0	0	0	111.6	D82 T152 E155 S156 D162 Y163	D82-H159 IonicContact OD1-CE1 3.49Å; D82-H159 IonicContact OD1-ND1 3.58Å; T152-H159 HydrophobicContact CG2-CB 4.41Å; E155-H159 HydrophobicContact CB-CB 4.39Å; E155-H159 IonicContact OE2-CD2 2.84Å; E155-H159 PolarHBondContact OE2-CD2 3.37Å; E155-H159 IonicContact OE2-CG 3.65Å; E155-H159 IonicContact OE2-NE2 3.83Å; S156-H159 PolarHBondContact O-N 2.81Å; S156-H159 VanDerWaalsContact O-N 3.11Å; S156-H159 PolarHBondContact OG-N 3.43Å; S156-H159 PolarHBondContact OG-ND1 3.43Å; H159-D162 PolarHBondContact O-N 2.63Å; H159-Y163 VanDerWaalsContact O-CB 3.28Å; H159-Y163 WeakPolarHBondContact O-CB 3.3Å; H159-Y163 PolarHBondContact O-N 2.66Å
160	V	81.8	Confident	78	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-50.6	176	-178	0	0	0	0	111	M131 L135 A148 L149 T152 S156 L157 Y158 D162 Y163 M164	M131-V160 HydrophobicContact CE-CG2 4.36Å; L135-V160 HydrophobicContact CD1-CB 4.5Å; L135-V160 HydrophobicContact CD1-CG1 3.64Å; L135-V160 HydrophobicContact CD2-CG1 4.14Å; A148-V160 HydrophobicContact CB-CG1 3.64Å; L149-V160 HydrophobicContact CD2-CG2 3.52Å; L149-V160 HydrophobicContact CG-CG1 4.38Å; L149-V160 HydrophobicContact CG-CG2 4.16Å; T152-V160 VanDerWaalsContact OG1-CG2 3.24Å; T152-V160 WeakPolarHBondContact OG1-CG2 3.26Å; S156-V160 VanDerWaalsContact O-CG2 3.31Å; S156-V160 WeakPolarHBondContact O-CG2 3.21Å; S156-V160 PolarHBondContact O-N 2.86Å; S156-V160 VanDerWaalsContact O-N 3.09Å; L157-V160 PolarHBondContact O-N 2.95Å; Y158-V160 VanDerWaalsContact C-N 3.31Å; Y158-V160 PolarHBondContact O-N 3.43Å; V160-D162 VanDerWaalsContact C-N 3.34Å; V160-D162 PolarHBondContact O-N 3.35Å; V160-Y163 PolarHBondContact O-N 3.32Å; V160-M164 HydrophobicContact CG1-SD 4.26Å; V160-M164 VanDerWaalsContact O-CG 3.31Å; V160-M164 WeakPolarHBondContact O-CG 3.25Å; V160-M164 PolarHBondContact O-N 3.22Å
161	V	80.8	Confident	76.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.7	-39	179.3	173.7	0	0	0	0	111.1	L71 I74 R75 L78 L135 F140 L157 Y158 M164 I165	L71-V161 HydrophobicContact CD2-CG1 4.2Å; I74-V161 HydrophobicContact CG2-CG1 4.22Å; I74-V161 HydrophobicContact CG2-CG2 4.08Å; R75-V161 HydrophobicContact CB-CG1 4.14Å; L78-V161 HydrophobicContact CD1-CB 4.39Å; L78-V161 HydrophobicContact CD1-CG2 3.9Å; L135-V161 HydrophobicContact CD2-CG2 4.21Å; F140-V161 HydrophobicContact CE2-CG2 4.48Å; L157-V161 VanDerWaalsContact O-CG2 3.29Å; L157-V161 WeakPolarHBondContact O-CG2 3.39Å; L157-V161 PolarHBondContact O-N 3.45Å; Y158-V161 PolarHBondContact O-N 3.25Å; V161-M164 PolarHBondContact O-N 2.89Å; V161-I165 HydrophobicContact CG1-CD1 4.12Å; V161-I165 VanDerWaalsContact O-CG1 3.29Å; V161-I165 WeakPolarHBondContact O-CG1 3.26Å; V161-I165 PolarHBondContact O-N 3.46Å
162	D	82.6	Confident	74.9	Confident	19 Å²	19	66.5 Å²	66.5	10%	0.102	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-39.6	176.6	-166.5	64.7	0	0	0	112.3	R75 Y158 H159 V160 I165 K166	R75-D162 IonicContact CZ-OD1 3.99Å; R75-D162 VanDerWaalsContact CZ-OD1 3.25Å; R75-D162 IonicContact NE-OD1 3.65Å; R75-D162 PolarHBondContact NE-OD1 2.6Å; R75-D162 IonicContact NH1-OD1 3.43Å; R75-D162 IonicContact NH2-OD1 3.76Å; Y158-D162 WeakPolarHBondContact O-CB 3.38Å; Y158-D162 PolarHBondContact O-N 3.45Å; H159-D162 PolarHBondContact O-N 2.63Å; V160-D162 VanDerWaalsContact C-N 3.34Å; V160-D162 PolarHBondContact O-N 3.35Å; D162-I165 PolarHBondContact O-N 2.97Å; D162-K166 WeakPolarHBondContact O-CG 3.26Å; D162-K166 PolarHBondContact O-N 2.79Å; D162-K166 WeakPolarHBondContact OD2-CE 3.44Å; D162-K166 IonicContact OD2-NZ 3.59Å; D162-K166 PolarHBondContact OD2-NZ 2.96Å
163	Y	83.5	Confident	72.8	Confident	85 Å²	85	68.9 Å²	68.9	33%	0.333	33%	0.332	S	S	.	.	H	α-helix	trans	-62.1	-44.3	173	179.5	-100.8	0	0	0	111.8	A148 A151 T152 H159 V160 I165 K166 L167	A148-Y163 HydrophobicContact CB-CD1 3.97Å; A148-Y163 HydrophobicContact CB-CE1 4.43Å; A151-Y163 HydrophobicContact CB-CD1 4.17Å; A151-Y163 HydrophobicContact CB-CE1 3.49Å; A151-Y163 VanDerWaalsContact CB-CE1 3.49Å; A151-Y163 HydrophobicContact CB-CE2 4.06Å; A151-Y163 VanDerWaalsContact CB-CZ 3.45Å; T152-Y163 HydrophobicContact CG2-CD1 4.39Å; T152-Y163 HydrophobicContact CG2-CD2 4.38Å; T152-Y163 HydrophobicContact CG2-CG 3.88Å; H159-Y163 VanDerWaalsContact O-CB 3.28Å; H159-Y163 WeakPolarHBondContact O-CB 3.3Å; H159-Y163 PolarHBondContact O-N 2.66Å; V160-Y163 PolarHBondContact O-N 3.32Å; Y163-I165 VanDerWaalsContact C-N 3.34Å; Y163-I165 PolarHBondContact O-N 3.5Å; Y163-K166 PolarHBondContact O-N 3.31Å; Y163-L167 HydrophobicContact CD1-CD1 3.73Å; Y163-L167 HydrophobicContact CE1-CD1 3.15Å; Y163-L167 HydrophobicContact CE1-CG 4.09Å; Y163-L167 PolarHBondContact O-N 3.38Å
164	M	81	Confident	71	Confident	11 Å²	11	66 Å²	66	5%	0.054	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-37.4	176.8	-69.4	179.7	72	0	0	112.6	F140 T144 A148 V160 V161 K168	F140-M164 HydrophobicContact CB-CE 4.28Å; F140-M164 HydrophobicContact CD1-CE 3.25Å; F140-M164 HydrophobicContact CD1-SD 4.18Å; F140-M164 HydrophobicContact CE1-CE 3.69Å; F140-M164 HydrophobicContact CE1-SD 4.34Å; F140-M164 HydrophobicContact CG-CE 3.8Å; F140-M164 HydrophobicContact CG-SD 4.36Å; T144-M164 HydrophobicContact CG2-CE 3.79Å; A148-M164 HydrophobicContact CB-CG 3.57Å; A148-M164 HydrophobicContact CB-SD 3.95Å; V160-M164 HydrophobicContact CG1-SD 4.26Å; V160-M164 VanDerWaalsContact O-CG 3.31Å; V160-M164 WeakPolarHBondContact O-CG 3.25Å; V160-M164 PolarHBondContact O-N 3.22Å; V161-M164 PolarHBondContact O-N 2.89Å; M164-K168 PolarHBondContact O-N 3.19Å
165	I	78.2	Confident	69.1	Low	20 Å²	20	68.6 Å²	68.6	10%	0.103	34%	0.342	C	S	.	.	H	α-helix	trans	-62.2	-46.6	173	-69.5	164.2	0	0	0	110.3	L71 R75 V161 D162 Y163 K168 T169	L71-I165 HydrophobicContact CB-CD1 4.09Å; L71-I165 HydrophobicContact CB-CG1 3.74Å; L71-I165 HydrophobicContact CD1-CG1 3.91Å; L71-I165 HydrophobicContact CD2-CG1 4.36Å; L71-I165 HydrophobicContact CG-CG1 4.26Å; R75-I165 HydrophobicContact CB-CD1 4.21Å; V161-I165 HydrophobicContact CG1-CD1 4.12Å; V161-I165 VanDerWaalsContact O-CG1 3.29Å; V161-I165 WeakPolarHBondContact O-CG1 3.26Å; V161-I165 PolarHBondContact O-N 3.46Å; D162-I165 PolarHBondContact O-N 2.97Å; Y163-I165 VanDerWaalsContact C-N 3.34Å; Y163-I165 PolarHBondContact O-N 3.5Å; I165-K168 PolarHBondContact O-N 3.4Å; I165-T169 PolarHBondContact O-N 2.96Å; I165-T169 PolarHBondContact O-OG1 3.19Å
166	K	79.1	Confident	67.5	Low	119 Å²	119	73.1 Å²	73.1	52%	0.517	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-41.4	-178	-77.3	167.9	174.3	162.8	0	112.7	D162 Y163 T169 R170	D162-K166 WeakPolarHBondContact O-CG 3.26Å; D162-K166 PolarHBondContact O-N 2.79Å; D162-K166 WeakPolarHBondContact OD2-CE 3.44Å; D162-K166 IonicContact OD2-NZ 3.59Å; D162-K166 PolarHBondContact OD2-NZ 2.96Å; Y163-K166 PolarHBondContact O-N 3.31Å; K166-T169 VanDerWaalsContact CA-OG1 3.29Å; K166-T169 WeakPolarHBondContact CA-OG1 3.44Å; K166-T169 PolarHBondContact O-N 3.26Å; K166-T169 PolarHBondContact O-OG1 2.98Å; K166-R170 PolarHBondContact O-N 3.5Å
167	L	75.1	Confident	65.7	Low	71 Å²	71	76.8 Å²	76.8	37%	0.372	38%	0.379	S	S	.	.	H	α-helix	trans	-56.9	-50.5	176.4	-95.2	164.9	0	0	0	112.2	Y163 T169 R170 E171	Y163-L167 HydrophobicContact CD1-CD1 3.73Å; Y163-L167 HydrophobicContact CE1-CD1 3.15Å; Y163-L167 HydrophobicContact CE1-CG 4.09Å; Y163-L167 PolarHBondContact O-N 3.38Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 2.88Å; L167-R170 WeakPolarHBondContact O-CB 3.22Å; L167-R170 PolarHBondContact O-N 3.28Å; L167-E171 PolarHBondContact O-N 3.44Å
168	K	65.2	Low	63.9	Low	95 Å²	95	80.1 Å²	80.1	41%	0.413	40%	0.401	S	S	.	.	H	α-helix	trans	-66.1	-33.8	179.6	-90	-165.9	178	-174.2	0	113.6	Y67 M164 I165 R170 E171 T172	Y67-K168 HydrophobicContact CD1-CD 3.8Å; Y67-K168 HydrophobicContact CE1-CD 3.72Å; M164-K168 PolarHBondContact O-N 3.19Å; I165-K168 PolarHBondContact O-N 3.4Å; K168-R170 PolarHBondContact O-N 3.04Å; K168-E171 PolarHBondContact O-N 3.34Å; K168-T172 PolarHBondContact O-N 2.98Å; K168-T172 VanDerWaalsContact O-N 3.1Å; K168-T172 PolarHBondContact O-OG1 3.32Å
169	T	60.2	Low	61.9	Low	56 Å²	56	82.3 Å²	82.3	34%	0.344	43%	0.426	S	S	.	.	H	α-helix	trans	-62	-32.2	172.9	22.7	0	0	0	0	112.5	I165 K166 L167 T172 A173	I165-T169 PolarHBondContact O-N 2.96Å; I165-T169 PolarHBondContact O-OG1 3.19Å; K166-T169 VanDerWaalsContact CA-OG1 3.29Å; K166-T169 WeakPolarHBondContact CA-OG1 3.44Å; K166-T169 PolarHBondContact O-N 3.26Å; K166-T169 PolarHBondContact O-OG1 2.98Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 2.88Å; T169-T172 PolarHBondContact O-OG1 3.03Å; T169-A173 PolarHBondContact O-N 3.21Å
170	R	54.8	Low	59.4	Low	199 Å²	199	87.6 Å²	87.6	75%	0.751	45%	0.453	S	S	*	.	H	α-helix	trans	-70.8	-42.4	175.1	-75.1	-176.3	168.2	-179.3	-3.1	112	K166 L167 K168 T172 A173 V174	K166-R170 PolarHBondContact O-N 3.5Å; L167-R170 WeakPolarHBondContact O-CB 3.22Å; L167-R170 PolarHBondContact O-N 3.28Å; K168-R170 PolarHBondContact O-N 3.04Å; R170-T172 VanDerWaalsContact C-N 3.35Å; R170-T172 PolarHBondContact O-N 3.32Å; R170-A173 WeakPolarHBondContact O-CB 3.34Å; R170-A173 PolarHBondContact O-N 3.33Å; R170-A173 VanDerWaalsContact O-N 3.09Å; R170-V174 PolarHBondContact O-N 3.39Å
171	E	53.5	Low	57	Low	126 Å²	126	92.9 Å²	92.9	59%	0.589	50%	0.496	S	S	*	.	H	α-helix	trans	-58.9	-45.5	175.6	-71.1	177.6	161.4	0	0	111.7	L167 K168 A173 V174 D175	L167-E171 PolarHBondContact O-N 3.44Å; K168-E171 PolarHBondContact O-N 3.34Å; E171-A173 PolarHBondContact O-N 3.37Å; E171-V174 PolarHBondContact O-N 3.46Å; E171-V174 VanDerWaalsContact O-N 3.17Å; E171-D175 PolarHBondContact O-N 3.44Å
172	T	50.4	Low	54.6	Low	88 Å²	88	95.5 Å²	95.5	54%	0.54	52%	0.523	S	S	.	.	H	α-helix	trans	-67	-18.1	177.5	57.8	0	0	0	0	114.4	K168 T169 R170	K168-T172 PolarHBondContact O-N 2.98Å; K168-T172 VanDerWaalsContact O-N 3.1Å; K168-T172 PolarHBondContact O-OG1 3.32Å; T169-T172 PolarHBondContact O-OG1 3.03Å; R170-T172 VanDerWaalsContact C-N 3.35Å; R170-T172 PolarHBondContact O-N 3.32Å
173	A	42.6	Very low	52.3	Low	64 Å²	64	100.5 Å²	100.5	53%	0.529	56%	0.556	S	S	.	*	H	α-helix	trans	-83.2	-29.6	176	0	0	0	0	0	112.2	T169 R170 E171	T169-A173 PolarHBondContact O-N 3.21Å; R170-A173 WeakPolarHBondContact O-CB 3.34Å; R170-A173 PolarHBondContact O-N 3.33Å; R170-A173 VanDerWaalsContact O-N 3.09Å; E171-A173 PolarHBondContact O-N 3.37Å
174	V	47.7	Very low	49.8	Very low	91 Å²	91	101.9 Å²	101.9	55%	0.552	58%	0.576	S	S	*	*	H	α-helix	trans	-76.4	-36.6	177.9	-179.5	0	0	0	0	111.3	R170 E171 R176 S177 T178	R170-V174 PolarHBondContact O-N 3.39Å; E171-V174 PolarHBondContact O-N 3.46Å; E171-V174 VanDerWaalsContact O-N 3.17Å; V174-R176 PolarHBondContact O-N 2.95Å; V174-S177 PolarHBondContact O-N 2.83Å; V174-S177 PolarHBondContact O-OG 3.48Å; V174-T178 PolarHBondContact O-OG1 2.77Å
175	D	41.5	Very low	47.5	Very low	120 Å²	120	107.3 Å²	107.3	64%	0.642	61%	0.612	S	S	*	*	H	α-helix	trans	-64.9	-21.7	176.6	-87.5	-13.6	0	0	0	113.5	E171	E171-D175 PolarHBondContact O-N 3.44Å
176	R	40.4	Very low	45.2	Very low	216 Å²	216	117.1 Å²	117.1	82%	0.815	65%	0.649	S	S	*	*	H	α-helix	trans	-80.1	-17.5	175	-74.3	-172.8	178.2	-174.5	-0.9	113.8	V174	V174-R176 PolarHBondContact O-N 2.95Å
177	S	43.7	Very low	42.9	Very low	95 Å²	95	117.2 Å²	117.2	66%	0.664	66%	0.662	S	S	*	*	H	α-helix	trans	-87.9	-19	176.7	64.5	0	0	0	0	113.2	V174	V174-S177 PolarHBondContact O-N 2.83Å; V174-S177 PolarHBondContact O-OG 3.48Å
178	T	40.9	Very low	40.6	Very low	112 Å²	112	119.7 Å²	119.7	69%	0.687	68%	0.684	S	S	*	*	H	α-helix	trans	-97.1	-12.7	-179.3	11.6	0	0	0	0	114.4	V174	V174-T178 PolarHBondContact O-OG1 2.77Å
179	A	35	Very low	39	Very low	76 Å²	76	122.3 Å²	122.3	63%	0.628	70%	0.703	S	S	*	*	S	Bend	trans	-103.8	48.6	-178.5	0	0	0	0	0	113.6
180	M	30.1	Very low	37.4	Very low	177 Å²	177	131.2 Å²	131.2	87%	0.872	73%	0.73	S	S	*	*			trans	-152.6	70.2	168.2	-80.5	-61.5	-168	0	0	110.7
181	A	30	Very low	36.3	Very low	111 Å²	111	130.5 Å²	130.5	92%	0.917	74%	0.735	S	S	*	*			trans	-122	57.7	162.5	0	0	0	0	0	109
182	G	32.1	Very low	35.1	Very low	54 Å²	54	133.9 Å²	133.9	56%	0.557	75%	0.748	S	S	*	*	S	Bend	trans	-118.3	134	165.1	0	0	0	0	0	107.8
183	P	33.5	Very low	33.9	Very low	124 Å²	124	138 Å²	138	81%	0.805	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-64	141.8	-168.3	26.6	-32.8	0	0	0	110.9
184	P	31.4	Very low	33.3	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-70.9	135.7	-166.6	28.5	-33.5	0	0	0	110.8
185	P	32.6	Very low	32.2	Very low	124 Å²	124	140.9 Å²	140.9	81%	0.805	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-68	137.5	170.1	28.6	-30.6	0	0	0	109.4
186	Y	30	Very low	31.4	Very low	226 Å²	226	138.6 Å²	138.6	89%	0.886	80%	0.796	S	S	*	*			trans	-43.7	141.9	-174.4	-77.5	-94.7	0	0	0	114.6	C188	Y186-C188 PolarHBondContact O-N 3.16Å
187	P	30.9	Very low	30.8	Very low	121 Å²	121	134.8 Å²	134.8	79%	0.786	80%	0.801	S	S	*	*			trans	-76.6	117.6	-171.1	31.6	-32.1	0	0	0	110.4
188	C	26.8	Very low	30.1	Very low	123 Å²	123	136.7 Å²	136.7	83%	0.831	81%	0.808	S	S	*	*			trans	-79.3	117.5	166.6	-173.1	0	0	0	0	108.6	Y186 R190	Y186-C188 PolarHBondContact O-N 3.16Å; C188-R190 PolarHBondContact O-N 2.98Å
189	D	31	Very low	30	Very low	151 Å²	151	137 Å²	137	81%	0.807	81%	0.812	S	S	*	*			trans	-48.7	104.1	178.6	-94.9	-43.3	0	0	0	112.5	Q191	D189-Q191 PolarHBondContact O-N 3.33Å; D189-Q191 VanDerWaalsContact O-N 3.14Å
190	R	26.6	Very low	29.8	Very low	242 Å²	242	140.3 Å²	140.3	91%	0.913	83%	0.825	S	S	*	*			trans	-77.6	90.3	161.1	-83.9	-175.3	175.8	-178.2	-0.8	108.3	C188 K192	C188-R190 PolarHBondContact O-N 2.98Å; R190-K192 PolarHBondContact O-N 3.47Å
191	Q	31.8	Very low	29.6	Very low	184 Å²	184	136.3 Å²	136.3	86%	0.86	82%	0.819	S	S	*	*			trans	-60.7	126.6	165.2	-81	-175.4	-18.3	0	0	110	D189	D189-Q191 PolarHBondContact O-N 3.33Å; D189-Q191 VanDerWaalsContact O-N 3.14Å
192	K	28.5	Very low	29.5	Very low	197 Å²	197	136.2 Å²	136.2	86%	0.857	81%	0.812	S	S	*	*			trans	-62.1	133.5	-175.1	-72.8	171.6	175.4	174.3	0	111.1	R190 S194	R190-K192 PolarHBondContact O-N 3.47Å; K192-S194 PolarHBondContact O-N 3.02Å; K192-S194 VanDerWaalsContact O-N 3.16Å
193	I	24.2	Very low	29.2	Very low	175 Å²	175	144.4 Å²	144.4	90%	0.897	83%	0.826	S	S	*	*			trans	-64.3	104.5	164.7	-58.7	164.4	0	0	0	107
194	S	30.1	Very low	28.9	Very low	114 Å²	114	143.9 Å²	143.9	80%	0.797	82%	0.821	S	S	*	*			trans	-102.3	122.5	166.1	61.7	0	0	0	0	109.6	K192	K192-S194 PolarHBondContact O-N 3.02Å; K192-S194 VanDerWaalsContact O-N 3.16Å
195	A	25.3	Very low	28.7	Very low	102 Å²	102	145 Å²	145	84%	0.843	83%	0.826	S	S	*	*			trans	-61.2	150.2	178.4	0	0	0	0	0	113.5
196	G	25.5	Very low	28.4	Very low	71 Å²	71	147 Å²	147	73%	0.732	83%	0.83	S	S	*	*			trans	98.6	102.5	150.5	0	0	0	0	0	115.5
197	C	26.3	Very low	28.3	Very low	137 Å²	137	139.2 Å²	139.2	93%	0.926	82%	0.819	S	S	*	*				-179.5	148.4	110.2	-100.6	0	0	0	0	111.9
198	V	28.7	Very low	28.2	Very low	135 Å²	135	141.8 Å²	141.8	82%	0.818	82%	0.82	S	S	*	*			trans	-73.8	156.2	-165	168.1	0	0	0	0	112
199	P	39.6	Very low	28.2	Very low	118 Å²	118	142.3 Å²	142.3	77%	0.766	82%	0.823	S	S	*	*			trans	-91	145.5	-154.5	34.4	-29	0	0	0	113.1
200	T	30.9	Very low	27.9	Very low	146 Å²	146	145.7 Å²	145.7	90%	0.896	83%	0.825	S	S	*	*			trans	-125.4	146.9	164.8	48.2	0	0	0	0	110.7
201	A	25.9	Very low	28.1	Very low	92 Å²	92	143.2 Å²	143.2	76%	0.76	82%	0.823	S	S	*	*			trans	-71.1	161.5	-158.4	0	0	0	0	0	115.7
202	S	28	Very low	28.5	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	82%	0.815	S	S	*	*			trans	119.6	119	130.4	74.9	0	0	0	0	117.6
203	R	26	Very low	28.4	Very low	226 Å²	226	138 Å²	138	85%	0.853	82%	0.815	S	S	*	*			trans	64.7	108.1	138.2	-85	-179.1	172.8	-172	-2.8	120.7
204	T	26.2	Very low	28.7	Very low	113 Å²	113	135.9 Å²	135.9	69%	0.693	81%	0.809	S	S	*	*				45.7	120.7	121.6	62.5	0	0	0	0	118.6
205	T	28.4	Very low	28.5	Very low	140 Å²	140	135.3 Å²	135.3	86%	0.859	81%	0.806	S	S	*	*				178.9	151.3	100.2	35.9	0	0	0	0	111.3
206	N	25.9	Very low	28.9	Very low	164 Å²	164	137.7 Å²	137.7	88%	0.877	80%	0.804	S	S	*	*			trans	-55.9	142.3	177.1	-69.2	-41.1	0	0	0	114.4
207	G	28.7	Very low	29.1	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	81%	0.809	S	S	*	*			trans	-177.3	86	161.6	0	0	0	0	0	109.8
208	H	28.4	Very low	29.1	Very low	175 Å²	175	142.8 Å²	142.8	81%	0.81	81%	0.809	S	S	*	*				42.1	92.7	99.3	-75.9	68.9	0	0	0	114.4
209	C	26.6	Very low	29.2	Very low	133 Å²	133	140.8 Å²	140.8	90%	0.899	81%	0.806	S	S	*	*			trans	-126.9	97.9	154.6	-85.1	0	0	0	0	109.2
210	R	25	Very low	29	Very low	222 Å²	222	141.2 Å²	141.2	84%	0.838	81%	0.809	S	S	*	*			trans	-62.8	147.6	158	-66.9	174.4	169.5	-172.8	-3.7	108.9
211	H	30.7	Very low	28.9	Very low	190 Å²	190	139.5 Å²	139.5	88%	0.88	81%	0.81	S	S	*	*			trans	-173.8	156.5	145	-97	-54.7	0	0	0	110.5
212	P	39.9	Very low	29.2	Very low	108 Å²	108	140.8 Å²	140.8	70%	0.701	81%	0.813	S	S	*	*				-114	161.4	-108.6	39.5	-33.8	0	0	0	115.9
213	I	25.9	Very low	29.5	Very low	165 Å²	165	140.3 Å²	140.3	85%	0.846	82%	0.816	S	S	*	*			trans	-69	124.7	174.8	-63.1	161.8	0	0	0	110
214	V	30.8	Very low	29.8	Very low	129 Å²	129	137.7 Å²	137.7	78%	0.782	82%	0.818	S	S	*	*			trans	-102.8	110.7	165.3	179.8	0	0	0	0	108
215	S	26.6	Very low	30.2	Very low	103 Å²	103	138 Å²	138	72%	0.72	82%	0.822	S	S	*	*			trans	-75.9	114.3	177.2	50.2	0	0	0	0	111.1
216	N	32.7	Very low	30.4	Very low	151 Å²	151	138 Å²	138	81%	0.807	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-95.8	124.6	161.3	-91.3	-10.1	0	0	0	109.4
217	G	29.7	Very low	31.1	Very low	81 Å²	81	136.2 Å²	136.2	84%	0.835	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.5	138.8	-169.2	0	0	0	0	0	114.4
218	Y	27	Very low	31.2	Very low	235 Å²	235	138.2 Å²	138.2	92%	0.922	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-78.6	134.9	166	-79.7	-100	0	0	0	110
219	A	30.5	Very low	31.3	Very low	93 Å²	93	134.3 Å²	134.3	77%	0.769	82%	0.816	S	S	*	*			trans	-117.1	144.6	160.6	0	0	0	0	0	108.9
220	P	35.3	Very low	31.6	Very low	126 Å²	126	135 Å²	135	82%	0.818	82%	0.816	S	S	*	*			trans	-92.5	156.2	-147.3	35.1	-34.9	0	0	0	115.3
221	A	29	Very low	31.9	Very low	110 Å²	110	127.2 Å²	127.2	91%	0.909	81%	0.805	S	S	*	*			trans	-55	125.9	176	0	0	0	0	0	113.2
222	S	32.8	Very low	31.9	Very low	119 Å²	119	124.2 Å²	124.2	83%	0.832	80%	0.802	S	S	*	*			trans	-104.5	146.2	165.2	33.8	0	0	0	0	109.7
223	A	33.4	Very low	31.2	Very low	100 Å²	100	127.5 Å²	127.5	83%	0.826	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-60.9	144.1	-155.1	0	0	0	0	0	116.5
224	L	31.5	Very low	31.3	Very low	171 Å²	171	128.9 Å²	128.9	90%	0.895	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-60	131.3	170.3	-74.3	155.4	0	0	0	111.2
225	P	34.8	Very low	31.1	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-83.8	140.5	172.2	29.5	-25.2	0	0	0	111.8
226	D	32.5	Very low	31.2	Very low	139 Å²	139	138 Å²	138	74%	0.743	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-55	128.3	-175.1	-159.4	-8.1	0	0	0	113.9	S228	D226-S228 PolarHBondContact O-N 3.38Å; D226-S228 VanDerWaalsContact O-N 3.14Å
227	P	41.1	Very low	31.1	Very low	126 Å²	126	136.8 Å²	136.8	82%	0.818	82%	0.822	S	S	*	*	S	Bend	trans	-86.5	79.4	-176.5	34.6	-34.4	0	0	0	111.7
228	S	30.2	Very low	30.9	Very low	107 Å²	107	144.6 Å²	144.6	75%	0.748	83%	0.826	S	S	*	*			trans	-138.7	25.5	169.1	74.8	0	0	0	0	114.6	D226	D226-S228 PolarHBondContact O-N 3.38Å; D226-S228 VanDerWaalsContact O-N 3.14Å
229	A	32	Very low	31	Very low	93 Å²	93	138.3 Å²	138.3	77%	0.769	82%	0.817	S	S	*	*			trans	-133.4	66.8	179.3	0	0	0	0	0	112.5
230	V	32.9	Very low	31	Very low	147 Å²	147	139.9 Å²	139.9	89%	0.891	82%	0.819	S	S	*	*			trans	-124.2	92.8	166.4	-173.8	0	0	0	0	108.7
231	G	30.2	Very low	30.6	Very low	59 Å²	59	140.7 Å²	140.7	61%	0.608	82%	0.821	S	S	*	*			trans	-73.3	160.2	166.6	0	0	0	0	0	111.7	M233	G231-M233 PolarHBondContact O-N 3.24Å
232	P	30.5	Very low	30.4	Very low	126 Å²	126	140.2 Å²	140.2	82%	0.818	81%	0.812	S	S	*	*			trans	-70.5	131.9	-161.4	27.4	-33.3	0	0	0	112.9	K234	P232-K234 PolarHBondContact O-N 3.1Å
233	M	26.3	Very low	30.2	Very low	178 Å²	178	138.7 Å²	138.7	88%	0.877	80%	0.801	S	S	*	*			trans	-54.3	114.5	173.6	-95.3	178	156.1	0	0	111.2	G231	G231-M233 PolarHBondContact O-N 3.24Å
234	K	28.2	Very low	29.9	Very low	194 Å²	194	140.4 Å²	140.4	84%	0.843	80%	0.801	S	S	*	*			trans	-79.6	115.9	171	-70.9	-178.9	178.4	178.5	0	109.5	P232	P232-K234 PolarHBondContact O-N 3.1Å
235	Y	26.9	Very low	29.7	Very low	224 Å²	224	142.1 Å²	142.1	88%	0.878	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-67.2	131	176	-80.4	-96.9	0	0	0	111.3	P237	Y235-P237 WeakPolarHBondContact O-CD 3.26Å
236	F	28.3	Very low	29.3	Very low	200 Å²	200	139.3 Å²	139.3	88%	0.877	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-79.5	119.5	172.6	-73	-94.8	0	0	0	110.3
237	P	30	Very low	29	Very low	124 Å²	124	140.2 Å²	140.2	81%	0.805	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-76	131.1	170.5	28.9	-29.5	0	0	0	110.3	Y235	Y235-P237 WeakPolarHBondContact O-CD 3.26Å
238	R	26.8	Very low	28.4	Very low	245 Å²	245	141 Å²	141	93%	0.925	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.8	135.4	177.4	-69.5	-178.2	174.9	-169	-1.1	110.4
239	S	29	Very low	28.2	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-62.5	142.4	175.5	59.1	0	0	0	0	111.4	V241	S239-V241 PolarHBondContact O-N 3.31Å
240	P	28.7	Very low	27.9	Very low	125 Å²	125	144.2 Å²	144.2	81%	0.812	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72.9	125	177.2	-9	25.2	0	0	0	110	S242	P240-S242 PolarHBondContact O-N 2.85Å
241	V	26.8	Very low	27.6	Very low	143 Å²	143	144.8 Å²	144.8	87%	0.867	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-61.1	116.6	171.5	-179.3	0	0	0	0	108.1	S239 S243	S239-V241 PolarHBondContact O-N 3.31Å; V241-S243 PolarHBondContact O-N 3.26Å; V241-S243 VanDerWaalsContact O-N 3.17Å
242	S	26.6	Very low	27.4	Very low	101 Å²	101	150.7 Å²	150.7	71%	0.706	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-61.6	117.1	178.3	69.9	0	0	0	0	109.8	P240 V244	P240-S242 PolarHBondContact O-N 2.85Å; S242-V244 PolarHBondContact O-N 3.39Å; S242-V244 VanDerWaalsContact O-N 3.14Å
243	S	28	Very low	27.3	Very low	86 Å²	86	147.9 Å²	147.9	60%	0.601	80%	0.8	S	S	*	*			trans	-63.3	109.6	170.8	56.6	0	0	0	0	109.6	V241 Y245	V241-S243 PolarHBondContact O-N 3.26Å; V241-S243 VanDerWaalsContact O-N 3.17Å; S243-Y245 PolarHBondContact O-N 3.03Å; S243-Y245 WeakPolarHBondContact OG-CD2 3.29Å
244	V	27.7	Very low	27.4	Very low	136 Å²	136	146.3 Å²	146.3	82%	0.824	80%	0.8	S	S	*	*			trans	-72.2	87.7	162.8	179.8	0	0	0	0	106.6	S242 G246	S242-V244 PolarHBondContact O-N 3.39Å; S242-V244 VanDerWaalsContact O-N 3.14Å; V244-G246 VanDerWaalsContact C-N 3.33Å; V244-G246 PolarHBondContact O-N 2.86Å
245	Y	25.8	Very low	27.2	Very low	208 Å²	208	142.6 Å²	142.6	82%	0.816	80%	0.799	S	S	*	*			trans	-71.4	91.9	167	-92.9	-87.9	0	0	0	108	S243 N247	S243-Y245 PolarHBondContact O-N 3.03Å; S243-Y245 WeakPolarHBondContact OG-CD2 3.29Å; Y245-N247 PolarHBondContact O-N 3.26Å
246	G	27.3	Very low	27.2	Very low	61 Å²	61	136 Å²	136	63%	0.629	79%	0.79	S	S	*	*			trans	-75.8	110.3	167.4	0	0	0	0	0	110.2	V244 V248	V244-G246 VanDerWaalsContact C-N 3.33Å; V244-G246 PolarHBondContact O-N 2.86Å; G246-V248 PolarHBondContact O-N 2.68Å
247	N	26.5	Very low	27.1	Very low	158 Å²	158	132.5 Å²	132.5	85%	0.845	79%	0.788	S	S	*	*			trans	-2	95.8	161.9	-70.6	-15	0	0	0	116.5	Y245 M249	Y245-N247 PolarHBondContact O-N 3.26Å; N247-M249 PolarHBondContact O-N 3.37Å
248	V	28	Very low	27	Very low	143 Å²	143	133.2 Å²	133.2	87%	0.867	79%	0.79	S	S	*	*			trans	-80.7	106.5	160.1	179.5	0	0	0	0	107.1	G246 S250	G246-V248 PolarHBondContact O-N 2.68Å; V248-S250 PolarHBondContact O-N 3.12Å
249	M	25.1	Very low	26.9	Very low	172 Å²	172	125.8 Å²	125.8	85%	0.847	78%	0.781	S	S	*	*			trans	-56.1	130	171.9	-75	-160.7	-172.3	0	0	110.5	N247 N251	N247-M249 PolarHBondContact O-N 3.37Å; M249-N251 PolarHBondContact O-N 3.02Å
250	S	25.7	Very low	26.7	Very low	94 Å²	94	127.1 Å²	127.1	66%	0.657	79%	0.788	S	S	*	*			trans	-61.9	94.3	173.6	50.8	0	0	0	0	111.6	V248 H252	V248-S250 PolarHBondContact O-N 3.12Å; S250-H252 PolarHBondContact O-N 2.85Å
251	N	26.4	Very low	26.4	Very low	160 Å²	160	132.3 Å²	132.3	86%	0.856	79%	0.792	S	S	*	*			trans	-89.4	97.3	159.2	-91.8	-13.2	0	0	0	108.6	M249 G253	M249-N251 PolarHBondContact O-N 3.02Å; N251-G253 PolarHBondContact O-N 3.01Å
252	H	26.4	Very low	26.3	Very low	182 Å²	182	134.7 Å²	134.7	84%	0.843	79%	0.793	S	S	*	*			trans	-64.8	84.2	165.6	-74.9	-75.3	0	0	0	109.7	S250	S250-H252 PolarHBondContact O-N 2.85Å
253	G	28.7	Very low	26.4	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	80%	0.801	S	S	*	*			trans	-94.1	104.3	165.2	0	0	0	0	0	109.2	N251 S255	N251-G253 PolarHBondContact O-N 3.01Å; G253-S255 PolarHBondContact O-N 3.06Å; G253-S255 VanDerWaalsContact O-N 3.17Å
254	T	27.7	Very low	26.3	Very low	145 Å²	145	136.6 Å²	136.6	89%	0.89	80%	0.802	S	S	*	*			trans	-51.5	110.3	175.9	29.8	0	0	0	0	112.2	A256	T254-A256 PolarHBondContact O-N 3.01Å
255	S	24.5	Very low	26.2	Very low	116 Å²	116	137 Å²	137	81%	0.811	81%	0.805	S	S	*	*			trans	-80.3	98.9	169.9	49.4	0	0	0	0	110.2	G253	G253-S255 PolarHBondContact O-N 3.06Å; G253-S255 VanDerWaalsContact O-N 3.17Å
256	A	26.3	Very low	26.2	Very low	85 Å²	85	136.1 Å²	136.1	70%	0.702	81%	0.81	S	S	*	*			trans	-77.8	131.6	162	0	0	0	0	0	109.1	T254 V258	T254-A256 PolarHBondContact O-N 3.01Å; A256-V258 PolarHBondContact O-N 3.48Å
257	P	27.1	Very low	26.1	Very low	127 Å²	127	138.4 Å²	138.4	83%	0.825	82%	0.817	S	S	*	*			trans	-78.9	117.8	-171.4	30.1	-31.4	0	0	0	110.7	A259	P257-A259 PolarHBondContact O-N 3.18Å
258	V	27	Very low	26.1	Very low	140 Å²	140	137.7 Å²	137.7	85%	0.848	82%	0.818	S	S	*	*			trans	-78.3	106.4	169.5	178.7	0	0	0	0	107.8	A256 C260	A256-V258 PolarHBondContact O-N 3.48Å; V258-C260 PolarHBondContact O-N 3.41Å
259	A	26.3	Very low	25.9	Very low	88 Å²	88	133.8 Å²	133.8	73%	0.727	81%	0.807	S	S	*	*			trans	-64.3	118.7	174.8	0	0	0	0	0	110.6	P257 R261	P257-A259 PolarHBondContact O-N 3.18Å; A259-R261 PolarHBondContact O-N 3.18Å; A259-R261 VanDerWaalsContact O-N 3.15Å
260	C	23.2	Very low	26	Very low	132 Å²	132	132.7 Å²	132.7	89%	0.892	81%	0.805	S	S	*	*			trans	-62.3	109.2	167.2	-71.3	0	0	0	0	109.3	V258	V258-C260 PolarHBondContact O-N 3.41Å
261	R	24.3	Very low	25.9	Very low	235 Å²	235	135.3 Å²	135.3	89%	0.887	81%	0.81	S	S	*	*			trans	-81.8	113.8	164.6	-93.4	-178.6	171	168	-2.8	108.8	A259 I263	A259-R261 PolarHBondContact O-N 3.18Å; A259-R261 VanDerWaalsContact O-N 3.15Å; R261-I263 PolarHBondContact O-N 3.17Å
262	E	24.2	Very low	25.9	Very low	192 Å²	192	136.7 Å²	136.7	90%	0.897	81%	0.809	S	S	*	*			trans	-56.4	119.4	165.6	-70	174.5	149.1	0	0	109.5	G264	E262-G264 PolarHBondContact O-N 3.42Å
263	I	27.9	Very low	25.7	Very low	167 Å²	167	136.2 Å²	136.2	86%	0.856	81%	0.806	S	S	*	*			trans	-84.3	105	171.7	-63.1	176.1	0	0	0	106.5	R261	R261-I263 PolarHBondContact O-N 3.17Å
264	G	26.6	Very low	25.6	Very low	61 Å²	61	137.7 Å²	137.7	63%	0.629	81%	0.812	S	S	*	*			trans	-60.6	137.7	177.7	0	0	0	0	0	112.6	E262 M266	E262-G264 PolarHBondContact O-N 3.42Å; G264-M266 PolarHBondContact O-N 2.99Å
265	T	26	Very low	25.3	Very low	145 Å²	145	136.6 Å²	136.6	89%	0.89	81%	0.811	S	S	*	*			trans	-62.7	111.5	170.7	49.3	0	0	0	0	110.2
266	M	24.6	Very low	25.4	Very low	188 Å²	188	134.2 Å²	134.2	93%	0.926	80%	0.804	S	S	*	*			trans	-91.9	124	168.1	-72.9	-166.6	72.5	0	0	109.9	G264	G264-M266 PolarHBondContact O-N 2.99Å
267	S	26.5	Very low	25.3	Very low	109 Å²	109	138.4 Å²	138.4	76%	0.762	82%	0.815	S	S	*	*			trans	-73.4	148.2	-177.9	61.4	0	0	0	0	112.6
268	T	24.8	Very low	25.3	Very low	143 Å²	143	140.1 Å²	140.1	88%	0.877	82%	0.815	S	S	*	*			trans	-40.2	131.9	162.7	49	0	0	0	0	114.8
269	G	24.5	Very low	25.2	Very low	62 Å²	62	138 Å²	138	64%	0.639	81%	0.812	S	S	*	*			trans	149.1	94.4	163.1	0	0	0	0	0	111.2
270	D	26.6	Very low	25.1	Very low	149 Å²	149	138.3 Å²	138.3	80%	0.797	82%	0.815	S	S	*	*			trans	-171.2	106.7	132.6	-88.7	-21	0	0	0	109.4	F272	D270-F272 PolarHBondContact O-N 3.14Å
271	I	24.8	Very low	25.1	Very low	149 Å²	149	139 Å²	139	76%	0.764	81%	0.81	S	S	*	*			trans	-79.1	103.9	176.6	-64.8	166	0	0	0	106.5
272	F	25.8	Very low	25.1	Very low	189 Å²	189	138.9 Å²	138.9	83%	0.829	81%	0.81	S	S	*	*			trans	-95.8	101.5	165.4	-90.9	-85.7	0	0	0	109.5	D270 A274	D270-F272 PolarHBondContact O-N 3.14Å; F272-A274 PolarHBondContact O-N 3.41Å
273	H	22.9	Very low	25.1	Very low	171 Å²	171	136.2 Å²	136.2	79%	0.792	81%	0.811	S	S	*	*			trans	-66.3	115.2	161.3	-89.1	-83.7	0	0	0	109.1
274	A	26.3	Very low	25	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	80%	0.804	S	S	*	*			trans	-132	87.1	160.3	0	0	0	0	0	108	F272	F272-A274 PolarHBondContact O-N 3.41Å
275	S	21.2	Very low	24.9	Very low	122 Å²	122	136.1 Å²	136.1	85%	0.853	81%	0.811	S	S	*	*			trans	-67.8	119.9	161.9	45.1	0	0	0	0	108.9
276	G	26	Very low	24.8	Very low	66 Å²	66	137.8 Å²	137.8	68%	0.68	81%	0.808	S	S	*	*			trans	-157.2	88.2	173.9	0	0	0	0	0	109.1	I278	G276-I278 PolarHBondContact O-N 3.15Å
277	D	24	Very low	24.9	Very low	172 Å²	172	134.5 Å²	134.5	92%	0.92	80%	0.801	S	S	*	*			trans	-57.1	112.5	168.3	-72.5	-45.5	0	0	0	109.5
278	I	27.8	Very low	24.8	Very low	163 Å²	163	135.8 Å²	135.8	84%	0.836	80%	0.804	S	S	*	*			trans	-125.5	106.3	161.3	-60.9	-178.5	0	0	0	106.5	G276	G276-I278 PolarHBondContact O-N 3.15Å
279	A	25.6	Very low	24.8	Very low	95 Å²	95	136.6 Å²	136.6	79%	0.785	80%	0.801	S	S	*	*			trans	-56.4	141.2	179.3	0	0	0	0	0	111.7	D281	A279-D281 PolarHBondContact O-N 2.95Å
280	A	23.9	Very low	24.7	Very low	96 Å²	96	137.7 Å²	137.7	79%	0.793	80%	0.804	S	S	*	*			trans	-60.7	122.9	173.5	0	0	0	0	0	111.1
281	D	23.6	Very low	24.7	Very low	146 Å²	146	135.6 Å²	135.6	78%	0.781	80%	0.802	S	S	*	*			trans	-152	175.9	145.2	-105.5	-27.8	0	0	0	106.2	A279	A279-D281 PolarHBondContact O-N 2.95Å
282	W	23.6	Very low	24.6	Very low	232 Å²	232	138 Å²	138	88%	0.879	81%	0.806	S	S	*	*			trans	88.7	57.3	-172.6	-50.7	66	0	0	0	113.3	T284	W282-T284 VanDerWaalsContact C-N 3.34Å; W282-T284 PolarHBondContact O-N 3.22Å
283	C	23.1	Very low	24.6	Very low	137 Å²	137	134.7 Å²	134.7	93%	0.926	80%	0.804	S	S	*	*			trans	-53.7	96.2	144.1	-79.7	0	0	0	0	109.7
284	T	26.7	Very low	24.8	Very low	114 Å²	114	136.1 Å²	136.1	70%	0.699	81%	0.808	S	S	*	*			trans	-88.9	109.7	168.4	51.9	0	0	0	0	110	W282 E286	W282-T284 VanDerWaalsContact C-N 3.34Å; W282-T284 PolarHBondContact O-N 3.22Å; T284-E286 PolarHBondContact O-N 3.13Å
285	S	25.4	Very low	24.8	Very low	112 Å²	112	134.4 Å²	134.4	78%	0.783	80%	0.8	S	S	*	*			trans	-20.2	111.8	161.5	53.8	0	0	0	0	116.3
286	E	23.8	Very low	24.9	Very low	179 Å²	179	139.6 Å²	139.6	84%	0.836	80%	0.803	S	S	*	*			trans	-76.1	138	159.9	-77.8	-177.2	151.2	0	0	110.4	T284 V288	T284-E286 PolarHBondContact O-N 3.13Å; E286-V288 PolarHBondContact O-N 2.98Å
287	P	25.3	Very low	24.8	Very low	119 Å²	119	146.7 Å²	146.7	77%	0.773	81%	0.811	S	S	*	*			trans	-75.3	115.3	178.7	28.6	-30.2	0	0	0	110.7	I289	P287-I289 PolarHBondContact O-N 3.07Å
288	V	25.9	Very low	24.9	Very low	137 Å²	137	144.4 Å²	144.4	83%	0.83	81%	0.805	S	S	*	*			trans	-62.1	99.5	171.3	179	0	0	0	0	109.3	E286 A290	E286-V288 PolarHBondContact O-N 2.98Å; V288-A290 PolarHBondContact O-N 3.09Å; V288-A290 VanDerWaalsContact O-N 3.09Å
289	I	23.5	Very low	24.9	Very low	159 Å²	159	143.2 Å²	143.2	82%	0.815	81%	0.805	S	S	*	*			trans	-72	102.2	165.4	-63.5	175.7	0	0	0	106.7	P287 S291	P287-I289 PolarHBondContact O-N 3.07Å; I289-S291 PolarHBondContact O-N 3.36Å
290	A	23.5	Very low	25	Very low	85 Å²	85	143 Å²	143	70%	0.702	80%	0.803	S	S	*	*			trans	-56	101.6	176.3	0	0	0	0	0	111	V288 K292	V288-A290 PolarHBondContact O-N 3.09Å; V288-A290 VanDerWaalsContact O-N 3.09Å; A290-K292 PolarHBondContact O-N 3.13Å; A290-K292 VanDerWaalsContact O-N 3.1Å
291	S	25.5	Very low	25.1	Very low	106 Å²	106	147.7 Å²	147.7	74%	0.741	81%	0.809	S	S	*	*			trans	-65.5	104.3	164.9	53.1	0	0	0	0	108.5	I289 P293	I289-S291 PolarHBondContact O-N 3.36Å; S291-P293 VanDerWaalsContact O-CD 3.25Å; S291-P293 WeakPolarHBondContact O-CD 3.33Å; S291-P293 VanDerWaalsContact O-N 3.16Å
292	K	22.6	Very low	25.3	Very low	198 Å²	198	150 Å²	150	86%	0.861	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-54.3	116.9	170	-78.5	-177.8	175.8	179.4	0	109	A290	A290-K292 PolarHBondContact O-N 3.13Å; A290-K292 VanDerWaalsContact O-N 3.1Å
293	P	26.3	Very low	25.4	Very low	121 Å²	121	148 Å²	148	79%	0.786	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.7	135.7	174.5	-12.6	27.7	0	0	0	109	S291 G295	S291-P293 VanDerWaalsContact O-CD 3.25Å; S291-P293 WeakPolarHBondContact O-CD 3.33Å; S291-P293 VanDerWaalsContact O-N 3.16Å; P293-G295 PolarHBondContact O-N 3.31Å; P293-G295 VanDerWaalsContact O-N 3.12Å
294	F	27.7	Very low	25.6	Very low	200 Å²	200	147.2 Å²	147.2	88%	0.877	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-51.5	116.9	170.6	-91.1	-101.7	0	0	0	109.7	Y296	F294-Y296 PolarHBondContact O-N 3.34Å; F294-Y296 VanDerWaalsContact O-N 3.14Å
295	G	24.8	Very low	25.5	Very low	63 Å²	63	147.3 Å²	147.3	65%	0.649	81%	0.809	S	S	*	*			trans	-59.7	114.7	176.9	0	0	0	0	0	110.5	P293 Y297	P293-G295 PolarHBondContact O-N 3.31Å; P293-G295 VanDerWaalsContact O-N 3.12Å; G295-Y297 PolarHBondContact O-N 3.33Å
296	Y	24.1	Very low	25.6	Very low	231 Å²	231	151.3 Å²	151.3	91%	0.906	82%	0.815	S	S	*	*			trans	-65.1	112.2	162	-87.6	-100.1	0	0	0	107.8	F294	F294-Y296 PolarHBondContact O-N 3.34Å; F294-Y296 VanDerWaalsContact O-N 3.14Å
297	Y	24.8	Very low	25.8	Very low	216 Å²	216	151.9 Å²	151.9	85%	0.847	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.7	125.8	169.8	-76.8	-90.7	0	0	0	108.9	G295 V299	G295-Y297 PolarHBondContact O-N 3.33Å; Y297-V299 PolarHBondContact O-N 2.78Å
298	P	25.5	Very low	25.8	Very low	124 Å²	124	154.3 Å²	154.3	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69.1	118.3	176.5	27.2	-31.2	0	0	0	109	A300	P298-A300 PolarHBondContact O-N 3.39Å
299	V	27.9	Very low	25.7	Very low	138 Å²	138	154 Å²	154	84%	0.836	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-62.9	117.5	173.8	175.9	0	0	0	0	107.9	Y297 Q301	Y297-V299 PolarHBondContact O-N 2.78Å; V299-Q301 PolarHBondContact O-N 3.14Å
300	A	27.2	Very low	25.9	Very low	89 Å²	89	153.9 Å²	153.9	74%	0.736	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.7	174.9	0	0	0	0	0	109.9	P298 K302	P298-A300 PolarHBondContact O-N 3.39Å; A300-K302 PolarHBondContact O-N 2.89Å
301	Q	25.8	Very low	26.3	Very low	196 Å²	196	155.8 Å²	155.8	92%	0.916	82%	0.822	S	S	*	*			trans	-59.9	98.4	174.5	-71.7	173.8	-23.5	0	0	109.4	V299	V299-Q301 PolarHBondContact O-N 3.14Å
302	K	28.3	Very low	26.5	Very low	194 Å²	194	158.4 Å²	158.4	84%	0.843	82%	0.822	S	S	*	*			trans	-94.2	102.8	164.4	-146.8	176.6	-174.5	-176.4	0	106.7	A300 T304	A300-K302 PolarHBondContact O-N 2.89Å; K302-T304 PolarHBondContact O-N 3.33Å
303	Q	25.6	Very low	27.2	Very low	189 Å²	189	154.6 Å²	154.6	88%	0.883	82%	0.818	S	S	*	*			trans	-57.4	111.2	170.6	-72.4	173.6	-20.1	0	0	109.3
304	T	27.1	Very low	27.5	Very low	121 Å²	121	155.5 Å²	155.5	74%	0.742	81%	0.812	S	S	*	*			trans	-158.6	104.8	154.1	43.1	0	0	0	0	109.3	K302	K302-T304 PolarHBondContact O-N 3.33Å
305	S	26	Very low	27.7	Very low	116 Å²	116	150.6 Å²	150.6	81%	0.811	79%	0.794	S	S	*	*			trans	29.4	112.7	150	57.6	0	0	0	0	118.9	Q307	S305-Q307 PolarHBondContact O-N 3.22Å
306	E	25.7	Very low	28.2	Very low	197 Å²	197	151.2 Å²	151.2	92%	0.921	79%	0.793	S	S	*	*			trans	-48.8	118.6	168.6	-63.1	161	158	0	0	112.8
307	Q	28.2	Very low	28.6	Very low	190 Å²	190	146.3 Å²	146.3	89%	0.888	78%	0.78	S	S	*	*			trans	-137.3	115.1	150	-106	179.4	-10.3	0	0	108	S305 C309	S305-Q307 PolarHBondContact O-N 3.22Å; Q307-C309 PolarHBondContact O-N 2.75Å
308	E	25.2	Very low	28.9	Very low	171 Å²	171	142.4 Å²	142.4	80%	0.799	77%	0.765	S	S	*	*			trans	-58.1	121.2	-177	-68.3	170.9	124.2	0	0	111.9
309	C	24.7	Very low	29.3	Very low	129 Å²	129	141.7 Å²	141.7	87%	0.872	75%	0.749	S	S	*	*			trans	-114.7	89.9	158.3	-86.9	0	0	0	0	107.6	Q307	Q307-C309 PolarHBondContact O-N 2.75Å
310	Q	28.2	Very low	29.8	Very low	157 Å²	157	141.7 Å²	141.7	73%	0.734	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-71	127.5	170	-71.9	-169.4	-6.7	0	0	109.8
311	P	31.4	Very low	30.3	Very low	125 Å²	125	141.7 Å²	141.7	81%	0.812	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-81.9	118.6	-178	30.4	-30.1	0	0	0	110.8
312	H	28.9	Very low	30.8	Very low	161 Å²	161	136.3 Å²	136.3	75%	0.745	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-75.8	128.2	176.3	-87.8	-67.6	0	0	0	111.7	H314	H312-H314 VanDerWaalsContact C-N 3.34Å; H312-H314 PolarHBondContact O-N 3.34Å
313	P	38.3	Very low	31.3	Very low	118 Å²	118	130.3 Å²	130.3	77%	0.766	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	27.7	-170.2	33	-33.8	0	0	0	115.9	D315	P313-D315 VanDerWaalsContact C-N 3.35Å
314	H	32.9	Very low	32.1	Very low	141 Å²	141	126.1 Å²	126.1	65%	0.653	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	1.6	176.2	-82.6	-76.8	0	0	0	115	H312 A316 Y318	H312-H314 VanDerWaalsContact C-N 3.34Å; H312-H314 PolarHBondContact O-N 3.34Å; H314-A316 PolarHBondContact O-N 3.32Å; H314-Y318 PolarHBondContact O-N 3.36Å
315	D	32.2	Very low	32.5	Very low	96 Å²	96	126 Å²	126	51%	0.513	65%	0.653	S	S	.	*	H	α-helix	trans	-66	-41.2	-172.7	-86.3	-7.6	0	0	0	114.2	P313 M317 Y318 F319	P313-D315 VanDerWaalsContact C-N 3.35Å; D315-M317 PolarHBondContact O-N 3Å; D315-Y318 PolarHBondContact O-N 3.35Å; D315-F319 HydrophobicContact CB-CD2 3.98Å; D315-F319 HydrophobicContact CB-CE2 3.62Å; D315-F319 WeakPolarHBondContact O-CD2 3.24Å; D315-F319 WeakPolarHBondContact O-CG 3.26Å; D315-F319 PolarHBondContact O-N 2.96Å
316	A	34.2	Very low	33.2	Very low	76 Å²	76	122.9 Å²	122.9	63%	0.628	63%	0.634	S	S	*	*	H	α-helix	trans	-63.4	-43.8	-173.3	0	0	0	0	0	113.2	H314 F319 E320	H314-A316 PolarHBondContact O-N 3.32Å; A316-F319 PolarHBondContact O-N 2.93Å; A316-E320 PolarHBondContact O-N 2.69Å
317	M	31.9	Very low	34	Very low	128 Å²	128	118 Å²	118	63%	0.631	61%	0.614	S	S	*	*	H	α-helix	trans	-73.8	-29.7	176.4	-75	-154.2	-67.6	0	0	112.6	D315 F319 N321	D315-M317 PolarHBondContact O-N 3Å; M317-F319 VanDerWaalsContact C-N 3.35Å; M317-N321 WeakPolarHBondContact O-CB 3.37Å; M317-N321 PolarHBondContact O-N 3.2Å; M317-N321 PolarHBondContact O-ND2 3.45Å
318	Y	32.1	Very low	34.5	Very low	134 Å²	134	112.5 Å²	112.5	53%	0.525	59%	0.591	S	S	.	*	H	α-helix	trans	-66.9	-39	174.4	-171.4	-99.6	0	0	0	111.2	H314 D315 L322	H314-Y318 PolarHBondContact O-N 3.36Å; D315-Y318 PolarHBondContact O-N 3.35Å; Y318-L322 WeakPolarHBondContact O-CB 3.28Å; Y318-L322 PolarHBondContact O-N 2.85Å
319	F	34.3	Very low	35.1	Very low	110 Å²	110	110.1 Å²	110.1	48%	0.482	58%	0.583	S	S	.	*	H	α-helix	trans	-73.9	-38.7	-178	-72.6	-56.2	0	0	0	114.4	D315 A316 M317 L322 C323	D315-F319 HydrophobicContact CB-CD2 3.98Å; D315-F319 HydrophobicContact CB-CE2 3.62Å; D315-F319 WeakPolarHBondContact O-CD2 3.24Å; D315-F319 WeakPolarHBondContact O-CG 3.26Å; D315-F319 PolarHBondContact O-N 2.96Å; A316-F319 PolarHBondContact O-N 2.93Å; M317-F319 VanDerWaalsContact C-N 3.35Å; F319-L322 PolarHBondContact O-N 3.01Å; F319-C323 PolarHBondContact O-N 2.85Å; F319-C323 PolarHBondContact O-SG 2.9Å
320	E	37.6	Very low	35.7	Very low	138 Å²	138	107.1 Å²	107.1	65%	0.645	56%	0.558	S	S	*	*	H	α-helix	trans	-64.5	-44.7	171.7	-85.9	-172.8	159.8	0	0	111	A316 L322 C323 Q324	A316-E320 PolarHBondContact O-N 2.69Å; E320-L322 PolarHBondContact O-N 2.74Å; E320-C323 PolarHBondContact O-N 3.17Å; E320-Q324 WeakPolarHBondContact O-CB 3.3Å; E320-Q324 PolarHBondContact O-N 3.26Å
321	N	37.1	Very low	36.4	Very low	89 Å²	89	103 Å²	103	48%	0.476	55%	0.547	S	S	.	.	H	α-helix	trans	-64.5	-27.8	174.5	-77.7	-49.6	0	0	0	112.7	M317 R325	M317-N321 WeakPolarHBondContact O-CB 3.37Å; M317-N321 PolarHBondContact O-N 3.2Å; M317-N321 PolarHBondContact O-ND2 3.45Å; N321-R325 WeakPolarHBondContact O-CB 3.42Å; N321-R325 WeakPolarHBondContact O-CG 3.44Å; N321-R325 PolarHBondContact O-N 3.04Å; N321-R325 PolarHBondContact O-NE 2.89Å
322	L	38	Very low	36.6	Very low	82 Å²	82	101.5 Å²	101.5	43%	0.429	54%	0.535	S	S	.	.	H	α-helix	trans	-75.7	-41.4	175.9	-166.7	72.2	0	0	0	111.8	Y318 F319 E320 A326	Y318-L322 WeakPolarHBondContact O-CB 3.28Å; Y318-L322 PolarHBondContact O-N 2.85Å; F319-L322 PolarHBondContact O-N 3.01Å; E320-L322 PolarHBondContact O-N 2.74Å; L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.43Å
323	C	37.4	Very low	36.9	Very low	69 Å²	69	96.6 Å²	96.6	47%	0.466	52%	0.519	S	S	.	.	H	α-helix	trans	-68	-39.1	175.1	-68.9	0	0	0	0	111.8	F319 E320 A326 N327	F319-C323 PolarHBondContact O-N 2.85Å; F319-C323 PolarHBondContact O-SG 2.9Å; E320-C323 PolarHBondContact O-N 3.17Å; C323-A326 PolarHBondContact O-N 3.21Å; C323-N327 PolarHBondContact O-N 3.5Å
324	Q	42.8	Very low	36.8	Very low	100 Å²	100	98.6 Å²	98.6	47%	0.467	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-47.2	174.3	-169.5	60.6	39.9	0	0	110.5	E320 A326 N327 D328	E320-Q324 WeakPolarHBondContact O-CB 3.3Å; E320-Q324 PolarHBondContact O-N 3.26Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3Å; Q324-N327 CarbonylContact O-C 3.49Å; Q324-N327 WeakPolarHBondContact O-CA 3.18Å; Q324-N327 PolarHBondContact O-N 3.37Å; Q324-D328 PolarHBondContact NE2-OD1 3.36Å; Q324-D328 PolarHBondContact O-N 2.99Å
325	R	36.5	Very low	36.9	Very low	119 Å²	119	93.5 Å²	93.5	45%	0.449	50%	0.498	S	S	.	.	H	α-helix	trans	-59.5	-36.1	173.6	-79.3	-179.9	-71.8	-168.7	0.5	113.1	N321 D328 L329	N321-R325 WeakPolarHBondContact O-CB 3.42Å; N321-R325 WeakPolarHBondContact O-CG 3.44Å; N321-R325 PolarHBondContact O-N 3.04Å; N321-R325 PolarHBondContact O-NE 2.89Å; R325-D328 PolarHBondContact O-N 2.72Å; R325-L329 VanDerWaalsContact O-CB 3.28Å; R325-L329 WeakPolarHBondContact O-CB 3.31Å; R325-L329 WeakPolarHBondContact O-CG 3.32Å; R325-L329 PolarHBondContact O-N 3.25Å
326	A	39.9	Very low	36.8	Very low	50 Å²	50	91.9 Å²	91.9	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-42	173.4	0	0	0	0	0	111.3	L322 C323 Q324 L330	L322-A326 WeakPolarHBondContact O-CB 3.49Å; L322-A326 PolarHBondContact O-N 3.43Å; C323-A326 PolarHBondContact O-N 3.21Å; Q324-A326 VanDerWaalsContact C-N 3.28Å; Q324-A326 PolarHBondContact O-N 3Å; A326-L330 WeakPolarHBondContact O-CG 3.4Å; A326-L330 PolarHBondContact O-N 2.88Å
327	N	41.7	Very low	36.8	Very low	95 Å²	95	93.1 Å²	93.1	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-70.1	-36.6	174.7	-82.6	-13.9	0	0	0	113.6	C323 Q324 L330 S331	C323-N327 PolarHBondContact O-N 3.5Å; Q324-N327 CarbonylContact O-C 3.49Å; Q324-N327 WeakPolarHBondContact O-CA 3.18Å; Q324-N327 PolarHBondContact O-N 3.37Å; N327-L330 WeakPolarHBondContact O-CA 3.39Å; N327-L330 VanDerWaalsContact O-CB 3.3Å; N327-L330 WeakPolarHBondContact O-CB 3.23Å; N327-L330 PolarHBondContact O-N 2.78Å; N327-L330 VanDerWaalsContact O-N 3.13Å; N327-S331 PolarHBondContact O-N 3.22Å
328	D	40.1	Very low	36.8	Very low	74 Å²	74	93 Å²	93	40%	0.396	50%	0.496	S	S	.	.	H	α-helix	trans	-68.9	-40	177	-61.2	-20	0	0	0	109.8	Q324 R325 L330 S331 V332	Q324-D328 PolarHBondContact NE2-OD1 3.36Å; Q324-D328 PolarHBondContact O-N 2.99Å; R325-D328 PolarHBondContact O-N 2.72Å; D328-L330 VanDerWaalsContact C-N 3.27Å; D328-L330 PolarHBondContact O-N 3.06Å; D328-S331 WeakPolarHBondContact O-CB 3.2Å; D328-S331 PolarHBondContact O-N 2.92Å; D328-S331 PolarHBondContact O-OG 3.39Å; D328-V332 PolarHBondContact O-N 3.29Å; D328-V332 VanDerWaalsContact O-N 3.12Å
329	L	37	Very low	36.5	Very low	121 Å²	121	94.2 Å²	94.2	63%	0.634	51%	0.51	S	S	*	.	H	α-helix	trans	-63.1	-31.7	169.9	-73.5	170.4	0	0	0	112.2	R325 S331 V332 S333	R325-L329 VanDerWaalsContact O-CB 3.28Å; R325-L329 WeakPolarHBondContact O-CB 3.31Å; R325-L329 WeakPolarHBondContact O-CG 3.32Å; R325-L329 PolarHBondContact O-N 3.25Å; L329-S331 VanDerWaalsContact C-N 3.32Å; L329-V332 PolarHBondContact O-N 3.47Å; L329-S333 VanDerWaalsContact O-CB 3.29Å; L329-S333 WeakPolarHBondContact O-CB 3.48Å; L329-S333 PolarHBondContact O-N 3.4Å
330	L	37.4	Very low	36.1	Very low	66 Å²	66	92.6 Å²	92.6	35%	0.346	52%	0.524	S	S	.	.	H	α-helix	trans	-67.5	-30.3	171.4	-72	168.6	0	0	0	112.5	A326 N327 D328 K334	A326-L330 WeakPolarHBondContact O-CG 3.4Å; A326-L330 PolarHBondContact O-N 2.88Å; N327-L330 WeakPolarHBondContact O-CA 3.39Å; N327-L330 VanDerWaalsContact O-CB 3.3Å; N327-L330 WeakPolarHBondContact O-CB 3.23Å; N327-L330 PolarHBondContact O-N 2.78Å; N327-L330 VanDerWaalsContact O-N 3.13Å; D328-L330 VanDerWaalsContact C-N 3.27Å; D328-L330 PolarHBondContact O-N 3.06Å; L330-K334 PolarHBondContact O-N 3.01Å
331	S	42.5	Very low	35.7	Very low	72 Å²	72	91.5 Å²	91.5	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-72.1	-36.8	174.1	78.9	0	0	0	0	112	N327 D328 L329	N327-S331 PolarHBondContact O-N 3.22Å; D328-S331 WeakPolarHBondContact O-CB 3.2Å; D328-S331 PolarHBondContact O-N 2.92Å; D328-S331 PolarHBondContact O-OG 3.39Å; L329-S331 VanDerWaalsContact C-N 3.32Å
332	V	36.5	Very low	35	Very low	93 Å²	93	90.3 Å²	90.3	56%	0.564	55%	0.548	S	S	*	.	H	α-helix	trans	-76.2	-37.5	176.7	-178.3	0	0	0	0	111.4	D328 L329 K334 A335 A336	D328-V332 PolarHBondContact O-N 3.29Å; D328-V332 VanDerWaalsContact O-N 3.12Å; L329-V332 PolarHBondContact O-N 3.47Å; V332-K334 VanDerWaalsContact C-N 3.31Å; V332-K334 PolarHBondContact O-N 3.06Å; V332-A335 WeakPolarHBondContact O-CB 3.32Å; V332-A335 PolarHBondContact O-N 3.31Å; V332-A335 VanDerWaalsContact O-N 3.09Å; V332-A336 PolarHBondContact O-N 3.17Å; V332-A336 VanDerWaalsContact O-N 3.1Å
333	S	34.8	Very low	34.5	Very low	58 Å²	58	93 Å²	93	41%	0.406	57%	0.567	S	S	.	*	H	α-helix	trans	-66.7	-30.5	178.9	179.3	0	0	0	0	112.8	L329 A335 A336 T337	L329-S333 VanDerWaalsContact O-CB 3.29Å; L329-S333 WeakPolarHBondContact O-CB 3.48Å; L329-S333 PolarHBondContact O-N 3.4Å; S333-A335 VanDerWaalsContact C-N 3.26Å; S333-A335 PolarHBondContact O-N 2.75Å; S333-A336 PolarHBondContact O-N 2.97Å; S333-T337 PolarHBondContact O-N 2.96Å; S333-T337 VanDerWaalsContact O-N 3.14Å; S333-T337 PolarHBondContact O-OG1 3.24Å; S333-T337 VanDerWaalsContact O-OG1 3.14Å
334	K	35.5	Very low	34	Very low	159 Å²	159	97.1 Å²	97.1	69%	0.691	59%	0.59	S	S	*	*	H	α-helix	trans	-63.1	-34.8	172.3	-81.7	-178	178.2	179.5	0	111.9	L330 V332 T337	L330-K334 PolarHBondContact O-N 3.01Å; V332-K334 VanDerWaalsContact C-N 3.31Å; V332-K334 PolarHBondContact O-N 3.06Å; K334-T337 PolarHBondContact O-OG1 3.34Å
335	A	34.7	Very low	33.2	Very low	34 Å²	34	98.3 Å²	98.3	28%	0.281	61%	0.609	S	S	.	*	H	α-helix	trans	-73.7	-31.6	174.6	0	0	0	0	0	112.5	V332 S333	V332-A335 WeakPolarHBondContact O-CB 3.32Å; V332-A335 PolarHBondContact O-N 3.31Å; V332-A335 VanDerWaalsContact O-N 3.09Å; S333-A335 VanDerWaalsContact C-N 3.26Å; S333-A335 PolarHBondContact O-N 2.75Å
336	A	31.4	Very low	32.7	Very low	62 Å²	62	95.9 Å²	95.9	51%	0.512	62%	0.621	S	S	.	*	H	α-helix	trans	-77.5	-26.1	-179.1	0	0	0	0	0	113.9	V332 S333 H338 L339	V332-A336 PolarHBondContact O-N 3.17Å; V332-A336 VanDerWaalsContact O-N 3.1Å; S333-A336 PolarHBondContact O-N 2.97Å; A336-H338 PolarHBondContact O-N 3.3Å; A336-L339 PolarHBondContact O-N 3Å
337	T	33.1	Very low	32	Very low	103 Å²	103	105.6 Å²	105.6	63%	0.632	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-3.8	-176.7	42.4	0	0	0	0	115.3	S333 K334 L339	S333-T337 PolarHBondContact O-N 2.96Å; S333-T337 VanDerWaalsContact O-N 3.14Å; S333-T337 PolarHBondContact O-OG1 3.24Å; S333-T337 VanDerWaalsContact O-OG1 3.14Å; K334-T337 PolarHBondContact O-OG1 3.34Å; T337-L339 VanDerWaalsContact C-N 3.31Å
338	H	32.5	Very low	31.3	Very low	126 Å²	126	112.6 Å²	112.6	58%	0.583	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-1.9	172.6	-82.6	-88.3	0	0	0	114.2	A336 E821	A336-H338 PolarHBondContact O-N 3.3Å; H338-E821 WeakPolarHBondContact CB-OE1 3.48Å; H338-E821 WeakPolarHBondContact CB-OE2 3.33Å; H338-E821 IonicContact CD2-OE1 2.83Å; H338-E821 IonicContact CD2-OE2 3.83Å; H338-E821 IonicContact CE1-OE1 3.35Å; H338-E821 PolarHBondContact CE1-OE1 3.31Å; H338-E821 VanDerWaalsContact CG-CD 3.46Å; H338-E821 IonicContact CG-OE1 3.79Å; H338-E821 IonicContact CG-OE2 3.79Å; H338-E821 IonicContact ND1-OE1 2.85Å; H338-E821 PolarHBondContact ND1-OE1 3.39Å; H338-E821 IonicContact NE2-OE1 3.86Å
339	L	25.9	Very low	30.6	Very low	158 Å²	158	118 Å²	118	83%	0.827	69%	0.69	S	S	*	*	S	Bend	trans	-114.8	102.2	173.6	-68.9	169	0	0	0	111.4	A336 T337	A336-L339 PolarHBondContact O-N 3Å; T337-L339 VanDerWaalsContact C-N 3.31Å
340	G	26.8	Very low	30	Very low	76 Å²	76	121.1 Å²	121.1	78%	0.784	70%	0.701	S	S	*	*			trans	98.2	61.7	151.1	0	0	0	0	0	117.9	G342	G340-G342 PolarHBondContact O-N 3.1Å
341	A	27.8	Very low	29.5	Very low	116 Å²	116	126 Å²	126	96%	0.959	73%	0.726	S	S	*	*			trans	-86.7	75.9	162.6	0	0	0	0	0	110.8
342	G	23.9	Very low	28.8	Very low	64 Å²	64	129 Å²	129	66%	0.66	74%	0.741	S	S	*	*			trans	-107.2	116.9	174.3	0	0	0	0	0	112.4	G340	G340-G342 PolarHBondContact O-N 3.1Å
343	V	25.7	Very low	28.4	Very low	138 Å²	138	132.1 Å²	132.1	84%	0.836	76%	0.755	S	S	*	*			trans	69.2	86.8	154.4	-163.4	0	0	0	0	117.7
344	V	27.5	Very low	28	Very low	156 Å²	156	137.2 Å²	137.2	95%	0.945	77%	0.772	S	S	*	*			trans	-136.2	76.5	145.3	-172.9	0	0	0	0	108.5
345	S	25.9	Very low	27.7	Very low	124 Å²	124	133.8 Å²	133.8	87%	0.867	78%	0.782	S	S	*	*			trans	-112.4	120.5	166.1	-178.2	0	0	0	0	107.4
346	G	25.9	Very low	27.4	Very low	68 Å²	68	140 Å²	140	70%	0.701	81%	0.805	S	S	*	*			trans	138.1	59.9	172.4	0	0	0	0	0	115.4
347	R	25	Very low	27.1	Very low	254 Å²	254	144.4 Å²	144.4	96%	0.958	82%	0.819	S	S	*	*			trans	-165.2	36.8	157.5	-119.1	174	-171	-174.2	2.7	115.2
348	R	26.8	Very low	26.8	Very low	243 Å²	243	143.4 Å²	143.4	92%	0.917	82%	0.817	S	S	*	*			trans	-104.1	2.9	-179.8	-156.1	171.7	176.4	174.1	-1.2	115.1
349	E	25.8	Very low	26.7	Very low	188 Å²	188	146 Å²	146	88%	0.879	83%	0.827	S	S	*	*	S	Bend	trans	-119.5	70.3	179.3	-69.9	-173.8	169.9	0	0	111.8
350	Q	25.1	Very low	27	Very low	186 Å²	186	144.4 Å²	144.4	87%	0.869	82%	0.819	S	S	*	*	S	Bend	trans	-176	81.5	159.8	-109.8	172.6	-3.9	0	0	106.5
351	L	25.6	Very low	27.2	Very low	167 Å²	167	145 Å²	145	87%	0.874	80%	0.804	S	S	*	*			trans	-179.7	37.8	162.7	-97.4	170.8	0	0	0	111.3
352	V	28.4	Very low	27.2	Very low	136 Å²	136	146 Å²	146	82%	0.824	79%	0.792	S	S	*	*			trans	-113.2	14.7	179.5	-172.1	0	0	0	0	112.5
353	N	28.1	Very low	27.4	Very low	159 Å²	159	146 Å²	146	85%	0.85	78%	0.782	S	S	*	*			trans	-112.2	13.7	-177	-97.3	-0.5	0	0	0	116.4
354	E	27.4	Very low	27.6	Very low	164 Å²	164	145.7 Å²	145.7	77%	0.766	78%	0.775	S	S	*	*			trans	-115.9	94.1	174.5	-64.7	-79.6	156.3	0	0	108.1	E356	E354-E356 VanDerWaalsContact C-N 3.3Å; E354-E356 PolarHBondContact O-N 3.11Å
355	G	27.4	Very low	27.7	Very low	87 Å²	87	144.7 Å²	144.7	90%	0.897	77%	0.769	S	S	*	*			trans	-75.2	70.2	-176	0	0	0	0	0	113.7
356	E	28.6	Very low	27.7	Very low	164 Å²	164	144.4 Å²	144.4	77%	0.766	76%	0.762	S	S	*	*			trans	-118	82.4	175.8	-70.1	-165.7	153.6	0	0	111.9	E354	E354-E356 VanDerWaalsContact C-N 3.3Å; E354-E356 PolarHBondContact O-N 3.11Å
357	L	25.3	Very low	27.7	Very low	155 Å²	155	150.6 Å²	150.6	81%	0.812	76%	0.764	S	S	*	*			trans	-145.7	101.2	152.6	-77.2	179.8	0	0	0	108.7	D361	L357-D361 HydrophobicContact CD2-CB 4.33Å
358	S	27.5	Very low	27.7	Very low	83 Å²	83	143.8 Å²	143.8	58%	0.58	76%	0.755	S	S	*	*			trans	-98	151.8	174.5	172.1	0	0	0	0	109.5	N360 D361	S358-N360 PolarHBondContact O-N 3.32Å; S358-D361 PolarHBondContact O-N 3.22Å
359	F	29.7	Very low	27.6	Very low	181 Å²	181	137.9 Å²	137.9	79%	0.794	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-49.7	-14.5	-171.9	-173.1	-99.7	0	0	0	116
360	N	33.5	Very low	27.5	Very low	123 Å²	123	134.6 Å²	134.6	66%	0.658	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-74.6	-20	176.1	-74.9	-20.8	0	0	0	114.7	S358 I362 S363	S358-N360 PolarHBondContact O-N 3.32Å; N360-I362 PolarHBondContact O-N 3.43Å; N360-S363 PolarHBondContact O-N 3.17Å
361	D	30.4	Very low	27.5	Very low	88 Å²	88	133 Å²	133	47%	0.471	74%	0.743	S	S	.	*	G	3₁₀ helix	trans	-72.3	-17	-176.2	-65.8	-40	0	0	0	113.5	L357 S358 S363	L357-D361 HydrophobicContact CD2-CB 4.33Å; S358-D361 PolarHBondContact O-N 3.22Å; D361-S363 VanDerWaalsContact C-N 3.31Å; D361-S363 PolarHBondContact O-N 3.4Å
362	I	27	Very low	27.6	Very low	138 Å²	138	130.3 Å²	130.3	71%	0.708	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-79.4	-15	176.9	-60	177.3	0	0	0	111.7	N360	N360-I362 PolarHBondContact O-N 3.43Å
363	S	29.4	Very low	27.7	Very low	63 Å²	63	132.3 Å²	132.3	44%	0.441	74%	0.741	S	S	.	*	G	3₁₀ helix	trans	-82	-10.1	179.4	-176.8	0	0	0	0	114.5	N360 D361	N360-S363 PolarHBondContact O-N 3.17Å; D361-S363 VanDerWaalsContact C-N 3.31Å; D361-S363 PolarHBondContact O-N 3.4Å
364	L	30.2	Very low	27.8	Very low	133 Å²	133	129.1 Å²	129.1	70%	0.696	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-87.8	-12.7	-175.8	-88.7	160.9	0	0	0	114.4
365	V	28.5	Very low	27.8	Very low	134 Å²	134	129.6 Å²	129.6	81%	0.812	74%	0.739	S	S	*	*	S	Bend	trans	-82.5	-14.6	180	-177.5	0	0	0	0	113
366	T	26	Very low	27.8	Very low	118 Å²	118	133 Å²	133	72%	0.724	74%	0.736	S	S	*	*	S	Bend	trans	-110.8	-0.3	-178.3	46.4	0	0	0	0	115.7	S368	T366-S368 VanDerWaalsContact C-N 3.33Å; T366-S368 PolarHBondContact O-N 3.43Å; T366-S368 VanDerWaalsContact O-N 3.07Å
367	R	25.5	Very low	27.7	Very low	198 Å²	198	134.9 Å²	134.9	75%	0.747	74%	0.737	S	S	*	*			trans	-87.4	78.6	171.8	-75.6	-170.4	179.2	-168.3	1.3	111	C369	R367-C369 PolarHBondContact O-N 3.36Å
368	S	26.1	Very low	27.6	Very low	111 Å²	111	137 Å²	137	78%	0.776	74%	0.739	S	S	*	*			trans	-49.8	124	157.6	-156.2	0	0	0	0	108.6	T366 C370	T366-S368 VanDerWaalsContact C-N 3.33Å; T366-S368 PolarHBondContact O-N 3.43Å; T366-S368 VanDerWaalsContact O-N 3.07Å; S368-C370 PolarHBondContact O-N 3.29Å
369	C	23.7	Very low	27.5	Very low	120 Å²	120	139.7 Å²	139.7	81%	0.811	75%	0.747	S	S	*	*			trans	-55.7	89.5	-175.5	-61	0	0	0	0	112.2	R367	R367-C369 PolarHBondContact O-N 3.36Å
370	C	23.5	Very low	27.4	Very low	118 Å²	118	137 Å²	137	80%	0.797	75%	0.747	S	S	*	*			trans	-102.8	73.8	155.6	-67.1	0	0	0	0	106.8	S368 P372	S368-C370 PolarHBondContact O-N 3.29Å; C370-P372 WeakPolarHBondContact O-CD 3.45Å
371	L	25	Very low	26.9	Very low	153 Å²	153	139.9 Å²	139.9	80%	0.801	76%	0.757	S	S	*	*			trans	-69	119.7	163.6	-78.6	165.4	0	0	0	106.8	L373	L371-L373 PolarHBondContact O-N 2.95Å
372	P	27.7	Very low	26.6	Very low	110 Å²	110	140.5 Å²	140.5	71%	0.714	77%	0.768	S	S	*	*			trans	-63	121.7	176.2	-16.7	30.1	0	0	0	108.7	C370 A374	C370-P372 WeakPolarHBondContact O-CD 3.45Å; P372-A374 PolarHBondContact O-N 3.34Å
373	L	30.6	Very low	26.3	Very low	179 Å²	179	145.1 Å²	145.1	94%	0.937	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	18.9	-172.9	-125.8	137.4	0	0	0	114.6	L371	L371-L373 PolarHBondContact O-N 2.95Å
374	A	31	Very low	26.1	Very low	92 Å²	92	147.9 Å²	147.9	76%	0.76	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	2.5	-173.6	0	0	0	0	0	115	P372	P372-A374 PolarHBondContact O-N 3.34Å
375	Q	28.4	Very low	25.6	Very low	174 Å²	174	150.5 Å²	150.5	81%	0.813	80%	0.801	S	S	*	*	S	Bend	trans	-116.5	6.9	-177.3	-88.9	-173.4	-3.7	0	0	117.1
376	L	26.8	Very low	25.4	Very low	158 Å²	158	155 Å²	155	83%	0.827	80%	0.804	S	S	*	*	S	Bend	trans	-101	10.6	178.2	-112.5	115.9	0	0	0	116.4
377	Y	25.2	Very low	25.2	Very low	204 Å²	204	156.3 Å²	156.3	80%	0.8	81%	0.806	S	S	*	*			trans	-131	65.3	171.3	-68.9	-79.9	0	0	0	111.7	L379	Y377-L379 VanDerWaalsContact C-N 3.31Å; Y377-L379 HydrophobicContact CD1-CD1 4.17Å; Y377-L379 PolarHBondContact O-N 3.3Å
378	K	24.6	Very low	25.2	Very low	198 Å²	198	156.5 Å²	156.5	86%	0.861	81%	0.813	S	S	*	*			trans	-88.3	78.2	152.5	-80.5	-172.9	177.4	-177.3	0	107.9
379	L	25.2	Very low	25.2	Very low	141 Å²	141	156.4 Å²	156.4	74%	0.738	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.3	137.8	160.6	-88.1	145.2	0	0	0	107.9	Y377 Q381	Y377-L379 VanDerWaalsContact C-N 3.31Å; Y377-L379 HydrophobicContact CD1-CD1 4.17Å; Y377-L379 PolarHBondContact O-N 3.3Å; L379-Q381 PolarHBondContact O-N 3.24Å
380	P	26.4	Very low	25.1	Very low	123 Å²	123	158.7 Å²	158.7	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67	133.2	-170.2	25.3	-30.6	0	0	0	111.4
381	Q	23.6	Very low	25.1	Very low	184 Å²	184	161 Å²	161	86%	0.86	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-64.5	155.6	175.3	-69.6	174.9	-27.3	0	0	111.2	L379	L379-Q381 PolarHBondContact O-N 3.24Å
382	S	23.3	Very low	24.9	Very low	101 Å²	101	158.1 Å²	158.1	71%	0.706	81%	0.814	S	S	*	*			trans	84.1	96.7	177.5	76.3	0	0	0	0	115.1
383	Y	22.6	Very low	24.7	Very low	235 Å²	235	158.3 Å²	158.3	92%	0.922	82%	0.818	S	S	*	*				-149.9	128.3	117.7	-94.3	-76.3	0	0	0	107.7
384	T	23.4	Very low	24.2	Very low	121 Å²	121	154.9 Å²	154.9	74%	0.742	81%	0.809	S	S	*	*			trans	-67.1	142.6	-166.9	46.1	0	0	0	0	113.7	R386	T384-R386 PolarHBondContact O-N 3.16Å
385	E	20.7	Very low	23.7	Very low	188 Å²	188	155.9 Å²	155.9	88%	0.879	81%	0.811	S	S	*	*			trans	-36.5	126.5	164.1	-67.3	164.8	149.5	0	0	112.7
386	R	24.4	Very low	23.5	Very low	229 Å²	229	152.4 Å²	152.4	86%	0.864	81%	0.806	S	S	*	*			trans	-132.7	111.9	151.9	-74.3	-168.4	-173.1	179.2	3	108.1	T384	T384-R386 PolarHBondContact O-N 3.16Å
387	D	21.9	Very low	23.3	Very low	145 Å²	145	149.9 Å²	149.9	78%	0.775	80%	0.801	S	S	*	*			trans	-42	137.1	165.7	-58.3	-64.3	0	0	0	112
388	F	24.4	Very low	23.3	Very low	202 Å²	202	147.7 Å²	147.7	89%	0.886	80%	0.803	S	S	*	*			trans	-151.5	141.1	137.8	-88.9	-69.3	0	0	0	110.6
389	P	27.4	Very low	23.3	Very low	110 Å²	110	143 Å²	143	71%	0.714	80%	0.802	S	S	*	*			trans	-94.8	158.3	-150.6	36.8	-35.3	0	0	0	114.5	L391	P389-L391 PolarHBondContact O-N 3.37Å
390	I	20.4	Very low	23.4	Very low	167 Å²	167	144.2 Å²	144.2	86%	0.856	81%	0.807	S	S	*	*			trans	-54.8	118.1	169.2	-61.3	162	0	0	0	110
391	L	23.7	Very low	23.2	Very low	166 Å²	166	145.8 Å²	145.8	87%	0.869	81%	0.809	S	S	*	*			trans	-116.1	105.6	159.1	-91.9	164.7	0	0	0	108.4	P389	P389-L391 PolarHBondContact O-N 3.37Å
392	A	20.6	Very low	23.3	Very low	93 Å²	93	140.6 Å²	140.6	77%	0.769	80%	0.804	S	S	*	*			trans	-72.3	124.8	163.9	0	0	0	0	0	108.7
393	S	23.9	Very low	23.3	Very low	115 Å²	115	141.5 Å²	141.5	80%	0.804	81%	0.809	S	S	*	*			trans	-134.7	108.2	155.6	49.7	0	0	0	0	108.9
394	S	20.2	Very low	23.4	Very low	107 Å²	107	133.4 Å²	133.4	75%	0.748	80%	0.797	S	S	*	*			trans	-61	168.4	162.7	48.2	0	0	0	0	112.5
395	S	21.5	Very low	23.3	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	80%	0.8	S	S	*	*			trans	86.7	134.4	169.5	75.8	0	0	0	0	114.6
396	S	22.6	Very low	23.6	Very low	101 Å²	101	131 Å²	131	71%	0.706	80%	0.8	S	S	*	*			cis	-164.8	143.9	4.6	35.4	0	0	0	0	108.2
397	S	22.6	Very low	23.6	Very low	104 Å²	104	128.8 Å²	128.8	73%	0.727	80%	0.799	S	S	*	*			trans	-28.5	129.3	159.1	48.8	0	0	0	0	115.6
398	N	26.1	Very low	23.6	Very low	158 Å²	158	126.9 Å²	126.9	85%	0.845	80%	0.797	S	S	*	*			trans	-140.4	96.4	145.9	-90.2	-23	0	0	0	107.9
399	A	24.9	Very low	23.4	Very low	101 Å²	101	123.1 Å²	123.1	84%	0.835	80%	0.795	S	S	*	*			trans	-69.9	122.3	165.7	0	0	0	0	0	108
400	I	26.4	Very low	23.2	Very low	166 Å²	166	124.2 Å²	124.2	85%	0.851	80%	0.799	S	S	*	*			trans	-101.7	101.1	168.7	-59.4	177.9	0	0	0	105.7
401	D	23.4	Very low	23.5	Very low	156 Å²	156	124 Å²	124	83%	0.834	80%	0.798	S	S	*	*			trans	-75.1	125.8	173.5	-131.3	-17.1	0	0	0	108.6
402	G	25.3	Very low	23.6	Very low	74 Å²	74	119 Å²	119	76%	0.763	79%	0.787	S	S	*	*			trans	-155.6	49.8	-175.5	0	0	0	0	0	111.1	G404	G402-G404 PolarHBondContact O-N 2.72Å
403	C	22.4	Very low	23.9	Very low	120 Å²	120	120.2 Å²	120.2	81%	0.811	79%	0.79	S	S	*	*			trans	-84.7	97.2	176.8	-167.7	0	0	0	0	109.9
404	G	24.5	Very low	24.1	Very low	65 Å²	65	123.7 Å²	123.7	67%	0.67	79%	0.793	S	S	*	*			trans	-84.3	110.6	166	0	0	0	0	0	110	G402 V406	G402-G404 PolarHBondContact O-N 2.72Å; G404-V406 PolarHBondContact O-N 2.78Å
405	S	22.6	Very low	24.5	Very low	115 Å²	115	127.8 Å²	127.8	80%	0.804	80%	0.801	S	S	*	*			trans	-53.9	119.4	175.7	35.7	0	0	0	0	113.4
406	V	27.3	Very low	25	Very low	144 Å²	144	127.7 Å²	127.7	87%	0.873	80%	0.8	S	S	*	*			trans	-110.8	119.1	165.1	-174.2	0	0	0	0	107.7	G404	G404-V406 PolarHBondContact O-N 2.78Å
407	E	23.4	Very low	25.5	Very low	183 Å²	183	128.1 Å²	128.1	86%	0.855	80%	0.803	S	S	*	*			trans	-65.8	143.7	-171	-72	175.5	147.7	0	0	113.5
408	S	21.6	Very low	26.1	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	81%	0.81	S	S	*	*			trans	-60.9	125.2	-176	94.6	0	0	0	0	112.3
409	C	21.4	Very low	26.5	Very low	123 Å²	123	130.8 Å²	130.8	83%	0.831	80%	0.804	S	S	*	*			trans	-111.1	99.6	157.5	-85.3	0	0	0	0	108.2	I411	C409-I411 PolarHBondContact O-N 3.16Å
410	T	22.4	Very low	27.2	Very low	132 Å²	132	132.1 Å²	132.1	81%	0.81	79%	0.794	S	S	*	*			trans	-67.6	104.7	169.5	42.6	0	0	0	0	109.7
411	I	27.3	Very low	27.6	Very low	163 Å²	163	132.8 Å²	132.8	84%	0.836	79%	0.786	S	S	*	*			trans	-120.5	131	164.2	-61.6	179.9	0	0	0	107.5	C409	C409-I411 PolarHBondContact O-N 3.16Å
412	G	26.3	Very low	28.3	Very low	61 Å²	61	128 Å²	128	63%	0.629	76%	0.764	S	S	*	*			trans	-60.4	160.1	-158.2	0	0	0	0	0	116.5	E414	G412-E414 PolarHBondContact O-N 3.22Å
413	S	26.7	Very low	28.8	Very low	119 Å²	119	130.7 Å²	130.7	83%	0.832	76%	0.756	S	S	*	*			trans	-47.8	92.3	176.5	53.6	0	0	0	0	113.4	Q415	S413-Q415 PolarHBondContact O-N 3.24Å
414	E	27.8	Very low	29.5	Very low	187 Å²	187	127.6 Å²	127.6	87%	0.874	74%	0.737	S	S	*	*			trans	-67.1	115.5	157.4	-75.9	-174	162.3	0	0	107.7	G412 S416	G412-E414 PolarHBondContact O-N 3.22Å; E414-S416 PolarHBondContact O-N 2.77Å
415	Q	29	Very low	30.3	Very low	193 Å²	193	128.6 Å²	128.6	90%	0.902	73%	0.731	S	S	*	*			trans	-60.7	89.9	170.2	-72.8	177.1	-1.1	0	0	108.1	S413 S417	S413-Q415 PolarHBondContact O-N 3.24Å; Q415-S417 PolarHBondContact O-N 2.99Å
416	S	31.9	Very low	31.2	Very low	111 Å²	111	130.5 Å²	130.5	78%	0.776	73%	0.732	S	S	*	*			trans	-54.1	104.3	172.1	174.9	0	0	0	0	108.1	E414 R418	E414-S416 PolarHBondContact O-N 2.77Å; S416-R418 PolarHBondContact O-N 2.92Å
417	S	32.6	Very low	32.1	Very low	110 Å²	110	126.4 Å²	126.4	77%	0.769	71%	0.708	S	S	*	*			trans	-53.7	104.4	172.4	45.9	0	0	0	0	108	Q415 A419	Q415-S417 PolarHBondContact O-N 2.99Å; S417-A419 PolarHBondContact O-N 3.43Å
418	R	34.1	Very low	33.1	Very low	234 Å²	234	126.8 Å²	126.8	88%	0.883	71%	0.71	S	S	*	*			trans	-64	98.2	-178.8	-173.5	176.5	-178.2	164.5	-0.1	107.3	S416 M420	S416-R418 PolarHBondContact O-N 2.92Å; R418-M420 PolarHBondContact O-N 2.68Å
419	A	35.2	Very low	34.6	Very low	85 Å²	85	123 Å²	123	70%	0.702	69%	0.686	S	S	*	*			trans	-52.3	111.9	175.6	0	0	0	0	0	108.6	S417 R421	S417-A419 PolarHBondContact O-N 3.43Å; A419-R421 VanDerWaalsContact C-N 3.31Å; A419-R421 PolarHBondContact O-N 3.33Å
420	M	38.9	Very low	36.1	Very low	128 Å²	128	121.3 Å²	121.3	63%	0.631	67%	0.669	S	S	*	*			trans	-65.9	95.3	173.8	-88	-172.6	-57.8	0	0	108	R418 C422	R418-M420 PolarHBondContact O-N 2.68Å; M420-C422 PolarHBondContact O-N 3.15Å
421	R	36	Very low	37.5	Very low	181 Å²	181	122.6 Å²	122.6	68%	0.683	67%	0.665	S	S	*	*			trans	-77.1	106.2	174.6	-168.1	-180	-169	171.7	1.8	107.9	A419 E423	A419-R421 VanDerWaalsContact C-N 3.31Å; A419-R421 PolarHBondContact O-N 3.33Å; R421-E423 HydrophobicContact CG-CG 4.29Å; R421-E423 PolarHBondContact O-N 3.41Å
422	C	37.9	Very low	38.7	Very low	56 Å²	56	122.5 Å²	122.5	38%	0.378	66%	0.659	S	S	.	*			trans	-70.7	78.8	172.4	-61.6	0	0	0	0	110.2	M420 Q510	M420-C422 PolarHBondContact O-N 3.15Å; C422-Q510 PolarHBondContact O-NE2 3.17Å
423	E	35.3	Very low	39.9	Very low	129 Å²	129	127 Å²	127	60%	0.603	66%	0.657	S	S	*	*			trans	-62.9	138.4	164.1	-72.3	-175.3	173.6	0	0	108.7	R421 P425	R421-E423 HydrophobicContact CG-CG 4.29Å; R421-E423 PolarHBondContact O-N 3.41Å; E423-P425 WeakPolarHBondContact O-CD 3.46Å
424	S	37.5	Very low	41.2	Very low	56 Å²	56	125.9 Å²	125.9	39%	0.392	65%	0.645	S	S	.	*			trans	-58.6	114.1	169.4	7.7	0	0	0	0	105.4	L426	S424-L426 PolarHBondContact O-N 3.28Å
425	P	41.6	Very low	42.5	Very low	86 Å²	86	123.5 Å²	123.5	56%	0.558	64%	0.637	S	S	*	*			trans	-61.2	110.4	-175	21.5	-29.2	0	0	0	107	E423 P427	E423-P425 WeakPolarHBondContact O-CD 3.46Å; P425-P427 WeakPolarHBondContact O-CD 3.48Å
426	L	41.6	Very low	43.6	Very low	155 Å²	155	119.1 Å²	119.1	81%	0.812	62%	0.624	S	S	*	*			trans	-49.8	117.5	136.2	-89.9	138.1	0	0	0	102.9	S424 E428	S424-L426 PolarHBondContact O-N 3.28Å; L426-E428 VanDerWaalsContact C-N 3.35Å; L426-E428 PolarHBondContact O-N 3.38Å
427	P	46.3	Very low	44.1	Very low	57 Å²	57	124.1 Å²	124.1	37%	0.37	63%	0.626	S	S	.	*			trans	-57.1	107.1	-171	-16.6	24.8	0	0	0	107.1	P425 G429 I430	P425-P427 WeakPolarHBondContact O-CD 3.48Å; P427-G429 CarbonylContact O-C 3.55Å; P427-G429 PolarHBondContact O-N 3.31Å; P427-I430 HydrophobicContact CB-CD1 4.39Å; P427-I430 HydrophobicContact CB-CG1 3.93Å; P427-I430 HydrophobicContact CG-CD1 3.86Å; P427-I430 HydrophobicContact CG-CG1 3.95Å; P427-I430 PolarHBondContact O-N 2.9Å
428	E	43.4	Very low	44.5	Very low	192 Å²	192	130.7 Å²	130.7	90%	0.897	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.8	122.8	173.5	-81.7	178.2	155.3	0	0	105.5	L426	L426-E428 VanDerWaalsContact C-N 3.35Å; L426-E428 PolarHBondContact O-N 3.38Å
429	G	53.2	Low	45	Very low	24 Å²	24	122.9 Å²	122.9	25%	0.247	63%	0.626	C	S	.	*	T	Hydrogen-bonded Turn	trans	85.1	28.4	-171.2	0	0	0	0	0	116	P427 R433	P427-G429 CarbonylContact O-C 3.55Å; P427-G429 PolarHBondContact O-N 3.31Å; G429-R433 WeakPolarHBondContact O-CA 3.34Å; G429-R433 WeakPolarHBondContact O-CB 3.28Å; G429-R433 WeakPolarHBondContact O-CG 3.4Å; G429-R433 PolarHBondContact O-N 3.17Å
430	I	53.8	Low	45.6	Very low	89 Å²	89	124.4 Å²	124.4	46%	0.456	63%	0.631	S	S	.	*	H	α-helix	trans	-59.7	-46.5	146.2	-70.4	-177.7	0	0	0	108	P427 K432 R433 V434	P427-I430 HydrophobicContact CB-CD1 4.39Å; P427-I430 HydrophobicContact CB-CG1 3.93Å; P427-I430 HydrophobicContact CG-CD1 3.86Å; P427-I430 HydrophobicContact CG-CG1 3.95Å; P427-I430 PolarHBondContact O-N 2.9Å; I430-K432 VanDerWaalsContact C-N 3.35Å; I430-K432 PolarHBondContact O-N 3.38Å; I430-R433 CarbonylContact O-C 3.51Å; I430-R433 PolarHBondContact O-N 3.36Å; I430-V434 HydrophobicContact CG2-CG2 3.81Å; I430-V434 VanDerWaalsContact O-CB 3.23Å; I430-V434 WeakPolarHBondContact O-CB 3.48Å; I430-V434 WeakPolarHBondContact O-CG2 3.43Å; I430-V434 PolarHBondContact O-N 3.2Å
431	E	50.3	Low	45.9	Very low	158 Å²	158	122.3 Å²	122.3	74%	0.738	64%	0.643	S	S	*	*	H	α-helix	trans	-60.4	-46.7	177.1	-158.1	169.5	-147.1	0	0	110.9	R433 V434 L435	E431-R433 PolarHBondContact O-N 3.35Å; E431-V434 PolarHBondContact O-N 3.49Å; E431-L435 HydrophobicContact CG-CD1 4.16Å; E431-L435 VanDerWaalsContact O-CB 3.3Å; E431-L435 WeakPolarHBondContact O-CB 3.16Å; E431-L435 WeakPolarHBondContact O-CD1 3.47Å; E431-L435 WeakPolarHBondContact O-CG 3.21Å; E431-L435 PolarHBondContact O-N 3.05Å
432	K	53.1	Low	46.6	Very low	161 Å²	161	118.2 Å²	118.2	70%	0.7	64%	0.641	S	S	*	*	H	α-helix	trans	-61.5	-42.8	172.9	-134	172.9	-171.7	175.5	0	112.7	I430 L435 T436	I430-K432 VanDerWaalsContact C-N 3.35Å; I430-K432 PolarHBondContact O-N 3.38Å; K432-L435 PolarHBondContact O-N 3.06Å; K432-T436 WeakPolarHBondContact O-CB 3.43Å; K432-T436 WeakPolarHBondContact O-CG2 3.44Å; K432-T436 PolarHBondContact O-N 3.14Å; K432-T436 PolarHBondContact O-OG1 2.86Å
433	R	51.2	Low	47.2	Very low	157 Å²	157	122.9 Å²	122.9	59%	0.592	66%	0.66	S	S	*	*	H	α-helix	trans	-69	-32.5	176.5	-95.5	-179.4	-102.3	-176.5	-9.1	113.5	G429 I430 E431 R437	G429-R433 WeakPolarHBondContact O-CA 3.34Å; G429-R433 WeakPolarHBondContact O-CB 3.28Å; G429-R433 WeakPolarHBondContact O-CG 3.4Å; G429-R433 PolarHBondContact O-N 3.17Å; I430-R433 CarbonylContact O-C 3.51Å; I430-R433 PolarHBondContact O-N 3.36Å; E431-R433 PolarHBondContact O-N 3.35Å; R433-R437 WeakPolarHBondContact O-CB 3.39Å; R433-R437 WeakPolarHBondContact O-CG 3.43Å; R433-R437 PolarHBondContact O-N 2.89Å
434	V	53.6	Low	48	Very low	95 Å²	95	122.9 Å²	122.9	58%	0.576	66%	0.658	S	S	*	*	H	α-helix	trans	-74.3	-39.3	176.6	170.6	0	0	0	0	108.9	I430 E431	I430-V434 HydrophobicContact CG2-CG2 3.81Å; I430-V434 VanDerWaalsContact O-CB 3.23Å; I430-V434 WeakPolarHBondContact O-CB 3.48Å; I430-V434 WeakPolarHBondContact O-CG2 3.43Å; I430-V434 PolarHBondContact O-N 3.2Å; E431-V434 PolarHBondContact O-N 3.49Å
435	L	55.1	Low	48.9	Very low	137 Å²	137	128.9 Å²	128.9	72%	0.717	68%	0.68	S	S	*	*	H	α-helix	trans	-71	-38.9	175.8	-71.5	164.9	0	0	0	112.8	E431 K432 R437	E431-L435 HydrophobicContact CG-CD1 4.16Å; E431-L435 VanDerWaalsContact O-CB 3.3Å; E431-L435 WeakPolarHBondContact O-CB 3.16Å; E431-L435 WeakPolarHBondContact O-CD1 3.47Å; E431-L435 WeakPolarHBondContact O-CG 3.21Å; E431-L435 PolarHBondContact O-N 3.05Å; K432-L435 PolarHBondContact O-N 3.06Å; L435-R437 VanDerWaalsContact C-N 3.26Å; L435-R437 PolarHBondContact O-N 3.21Å
436	T	53.3	Low	50.1	Low	101 Å²	101	127.2 Å²	127.2	62%	0.62	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	4.6	178.3	56.5	0	0	0	0	114.1	K432 R438	K432-T436 WeakPolarHBondContact O-CB 3.43Å; K432-T436 WeakPolarHBondContact O-CG2 3.44Å; K432-T436 PolarHBondContact O-N 3.14Å; K432-T436 PolarHBondContact O-OG1 2.86Å; T436-R438 PolarHBondContact O-N 3.14Å
437	R	41.8	Very low	51.6	Low	215 Å²	215	123.3 Å²	123.3	81%	0.811	65%	0.653	S	S	*	*			trans	-73.8	22.5	-177.4	-110.6	-178.2	-168.4	-134.1	5	115.2	R433 L435	R433-R437 WeakPolarHBondContact O-CB 3.39Å; R433-R437 WeakPolarHBondContact O-CG 3.43Å; R433-R437 PolarHBondContact O-N 2.89Å; L435-R437 VanDerWaalsContact C-N 3.26Å; L435-R437 PolarHBondContact O-N 3.21Å
438	R	41.6	Very low	52.9	Low	248 Å²	248	125.7 Å²	125.7	94%	0.936	67%	0.671	S	S	*	*	S	Bend	trans	-97.9	89.9	161.2	-70.7	-170.9	-174.8	-159.1	2.9	109	T436	T436-R438 PolarHBondContact O-N 3.14Å
439	G	44.6	Very low	54.1	Low	70 Å²	70	121.1 Å²	121.1	72%	0.722	65%	0.648	S	S	*	*	S	Bend	trans	135.9	0.1	153.5	0	0	0	0	0	120.6
440	S	47.4	Very low	54.9	Low	117 Å²	117	120.5 Å²	120.5	82%	0.818	64%	0.641	S	S	*	*			trans	-144.3	72.1	175	-73.1	0	0	0	0	112.6	C442	S440-C442 PolarHBondContact O-N 3.37Å
441	G	45.8	Very low	55.9	Low	84 Å²	84	121.5 Å²	121.5	87%	0.866	64%	0.642	S	S	*	*			trans	-72.9	41	165.2	0	0	0	0	0	112.9	I443	G441-I443 VanDerWaalsContact C-N 3.29Å; G441-I443 PolarHBondContact O-N 2.93Å
442	C	49.5	Very low	57.1	Low	96 Å²	96	121.8 Å²	121.8	65%	0.649	64%	0.636	S	S	*	*			trans	-79.4	86.9	170	178.3	0	0	0	0	107.4	S440 K444	S440-C442 PolarHBondContact O-N 3.37Å; C442-K444 PolarHBondContact O-N 3.47Å
443	I	50.6	Low	57.9	Low	154 Å²	154	115.3 Å²	115.3	79%	0.79	61%	0.608	S	S	*	*			trans	-55.3	113.2	148.8	-62.8	172.6	0	0	0	103.7	G441 Q445	G441-I443 VanDerWaalsContact C-N 3.29Å; G441-I443 PolarHBondContact O-N 2.93Å; I443-Q445 PolarHBondContact O-N 2.94Å
444	K	53.9	Low	59	Low	128 Å²	128	110.4 Å²	110.4	56%	0.557	59%	0.591	S	S	*	*			trans	-48.7	117.8	177.6	-81.5	-169.2	174.3	-166.6	0	107	C442 C446 D865	C442-K444 PolarHBondContact O-N 3.47Å; K444-C446 PolarHBondContact O-N 3.38Å; K444-D865 IonicContact NZ-OD2 3.05Å
445	Q	55.4	Low	60	Low	183 Å²	183	108.6 Å²	108.6	86%	0.855	58%	0.577	S	S	*	*			trans	-63.3	110.5	179.1	-74	-179.1	-7	0	0	106.9	I443	I443-Q445 PolarHBondContact O-N 2.94Å
446	C	66.6	Low	61.1	Low	51 Å²	51	105.9 Å²	105.9	35%	0.345	56%	0.561	S	S	.	*			trans	-104.2	146.8	169.8	62	0	0	0	0	108	K444 H866	K444-C446 PolarHBondContact O-N 3.38Å; C446-H866 WeakPolarHBondContact CA-NE2 3.36Å; C446-H866 WeakPolarHBondContact CB-CE1 3.15Å; C446-H866 WeakPolarHBondContact CB-NE2 3.37Å
447	T	72.6	Confident	62	Low	72 Å²	72	101.8 Å²	101.8	44%	0.442	53%	0.534	S	S	.	.			trans	-64.7	146.6	173.4	66	0	0	0	0	108.9	K449 A450 F451	T447-K449 PolarHBondContact O-N 3.26Å; T447-K449 VanDerWaalsContact O-N 3.16Å; T447-A450 PolarHBondContact O-N 2.86Å; T447-A450 VanDerWaalsContact OG1-CB 3.23Å; T447-A450 WeakPolarHBondContact OG1-CB 3.42Å; T447-A450 PolarHBondContact OG1-N 2.87Å; T447-A450 VanDerWaalsContact OG1-N 3.09Å; T447-F451 PolarHBondContact O-N 2.9Å
448	S	74.5	Confident	63.7	Low	107 Å²	107	94.8 Å²	94.8	75%	0.748	51%	0.511	S	S	*	.	H	α-helix	trans	-54.8	-34.5	175.9	53.3	0	0	0	0	111.9	R452	S448-R452 VanDerWaalsContact O-CB 3.31Å; S448-R452 WeakPolarHBondContact O-CB 3.39Å; S448-R452 PolarHBondContact O-N 2.79Å
449	K	69.4	Low	65.3	Low	96 Å²	96	87.3 Å²	87.3	42%	0.417	49%	0.489	S	S	.	.	H	α-helix	trans	-64.5	-46.4	173.8	-170.7	179.4	171.6	-166.5	0	112.3	T447 R452 F453 D676	T447-K449 PolarHBondContact O-N 3.26Å; T447-K449 VanDerWaalsContact O-N 3.16Å; K449-R452 PolarHBondContact O-N 3.04Å; K449-F453 WeakPolarHBondContact O-CB 3.3Å; K449-F453 PolarHBondContact O-N 2.81Å; K449-D676 IonicContact NZ-OD1 3.48Å; K449-D676 PolarHBondContact NZ-OD1 2.67Å
450	A	69.1	Low	66.9	Low	12 Å²	12	87.9 Å²	87.9	10%	0.099	47%	0.473	C	S	.	.	H	α-helix	trans	-65	-39.7	176.2	0	0	0	0	0	112.3	T447 F453 F454 H866	T447-A450 PolarHBondContact O-N 2.86Å; T447-A450 VanDerWaalsContact OG1-CB 3.23Å; T447-A450 WeakPolarHBondContact OG1-CB 3.42Å; T447-A450 PolarHBondContact OG1-N 2.87Å; T447-A450 VanDerWaalsContact OG1-N 3.09Å; A450-F453 PolarHBondContact O-N 2.8Å; A450-F454 WeakPolarHBondContact O-CB 3.42Å; A450-F454 PolarHBondContact O-N 2.89Å; A450-H866 HydrophobicContact CB-CB 3.97Å
451	F	74.4	Confident	68.3	Low	109 Å²	109	83.6 Å²	83.6	48%	0.478	44%	0.44	S	S	.	.	H	α-helix	trans	-64.6	-45.7	175.2	-177.2	-107	0	0	0	112	T447 F453 F454 M455	T447-F451 PolarHBondContact O-N 2.9Å; F451-F453 PolarHBondContact O-N 3.3Å; F451-F454 WeakPolarHBondContact O-CB 3.45Å; F451-F454 PolarHBondContact O-N 3.15Å; F451-M455 HydrophobicContact CD1-CG 4.21Å; F451-M455 HydrophobicContact CD2-CG 4.48Å; F451-M455 HydrophobicContact CE1-CG 3.75Å; F451-M455 HydrophobicContact CE2-CG 4.05Å; F451-M455 HydrophobicContact CE2-SD 4.21Å; F451-M455 HydrophobicContact CZ-CG 3.66Å; F451-M455 HydrophobicContact CZ-SD 3.9Å; F451-M455 WeakPolarHBondContact O-CG 3.2Å; F451-M455 PolarHBondContact O-N 3.35Å
452	R	75.4	Confident	69.8	Low	164 Å²	164	83 Å²	83	62%	0.619	42%	0.42	S	S	*	.	H	α-helix	trans	-58.2	-48.4	174.7	177	179.8	172.3	169.2	0.4	111.2	S448 K449 F454 M455 E456	S448-R452 VanDerWaalsContact O-CB 3.31Å; S448-R452 WeakPolarHBondContact O-CB 3.39Å; S448-R452 PolarHBondContact O-N 2.79Å; K449-R452 PolarHBondContact O-N 3.04Å; R452-F454 VanDerWaalsContact C-N 3.31Å; R452-F454 PolarHBondContact O-N 3.39Å; R452-M455 PolarHBondContact O-N 3.38Å; R452-E456 HydrophobicContact CG-CG 4.38Å; R452-E456 IonicContact CZ-OE1 3.25Å; R452-E456 IonicContact NE-OE1 3.06Å; R452-E456 PolarHBondContact NE-OE1 2.84Å; R452-E456 IonicContact NH2-OE1 3.53Å; R452-E456 PolarHBondContact NH2-OE1 3.5Å; R452-E456 WeakPolarHBondContact O-CG 3.38Å; R452-E456 PolarHBondContact O-N 2.91Å
453	F	70.6	Confident	71.1	Confident	26 Å²	26	82 Å²	82	11%	0.114	41%	0.411	C	S	.	.	H	α-helix	trans	-55	-48.2	176.8	175.6	-86.9	0	0	0	111.4	K449 A450 F451 M455 E456 Q457 W667 Y674	K449-F453 WeakPolarHBondContact O-CB 3.3Å; K449-F453 PolarHBondContact O-N 2.81Å; A450-F453 PolarHBondContact O-N 2.8Å; F451-F453 PolarHBondContact O-N 3.3Å; F453-M455 PolarHBondContact O-N 3.09Å; F453-E456 PolarHBondContact O-N 3.15Å; F453-Q457 WeakPolarHBondContact O-CB 3.37Å; F453-Q457 PolarHBondContact O-N 2.85Å; F453-W667 AromaticContact CD2-CH2 3.56Å; F453-W667 HydrophobicContact CD2-CH2 3.56Å; F453-W667 AromaticContact CD2-CZ3 3.42Å; F453-W667 HydrophobicContact CD2-CZ3 3.42Å; F453-W667 VanDerWaalsContact CD2-CZ3 3.42Å; F453-W667 HydrophobicContact CE2-CE3 4.32Å; F453-W667 AromaticContact CE2-CH2 3.48Å; F453-W667 HydrophobicContact CE2-CH2 3.48Å; F453-W667 VanDerWaalsContact CE2-CH2 3.48Å; F453-W667 AromaticContact CE2-CZ3 3.34Å; F453-W667 HydrophobicContact CE2-CZ3 3.34Å; F453-W667 HydrophobicContact CZ-CH2 4.41Å; F453-Y674 HydrophobicContact CZ-CE1 4.37Å
454	F	74.2	Confident	72.5	Confident	53 Å²	53	78.2 Å²	78.2	23%	0.232	39%	0.388	C	S	.	.	H	α-helix	trans	-57.4	-49.3	176.5	170	-107.9	0	0	0	111.9	A450 F451 R452 Q457 H458 Y869 E870	A450-F454 WeakPolarHBondContact O-CB 3.42Å; A450-F454 PolarHBondContact O-N 2.89Å; F451-F454 WeakPolarHBondContact O-CB 3.45Å; F451-F454 PolarHBondContact O-N 3.15Å; R452-F454 VanDerWaalsContact C-N 3.31Å; R452-F454 PolarHBondContact O-N 3.39Å; F454-Q457 PolarHBondContact O-N 2.9Å; F454-H458 HydrophobicContact CZ-CB 4.44Å; F454-H458 VanDerWaalsContact O-CB 3.22Å; F454-H458 WeakPolarHBondContact O-CB 3.38Å; F454-H458 PolarHBondContact O-N 3.14Å; F454-Y869 HydrophobicContact CB-CD2 3.82Å; F454-Y869 HydrophobicContact CB-CE2 4.28Å; F454-Y869 HydrophobicContact CD2-CD1 4.4Å; F454-Y869 AromaticContact CD2-CD2 3.64Å; F454-Y869 HydrophobicContact CD2-CD2 3.64Å; F454-Y869 HydrophobicContact CD2-CE2 4.36Å; F454-Y869 AromaticContact CD2-CG 3.65Å; F454-Y869 HydrophobicContact CD2-CG 3.65Å; F454-Y869 HydrophobicContact CE2-CG 4.23Å; F454-Y869 AromaticContact CG-CD2 3.97Å; F454-Y869 HydrophobicContact CG-CD2 3.97Å; F454-Y869 HydrophobicContact CG-CE2 4.39Å; F454-Y869 HydrophobicContact CG-CG 4.43Å; F454-E870 HydrophobicContact CE2-CG 4.27Å
455	M	75.2	Confident	73.8	Confident	58 Å²	58	74.8 Å²	74.8	29%	0.286	38%	0.375	S	S	.	.	H	α-helix	trans	-64	-41.8	-178.8	-70.9	-61.2	-64.5	0	0	112.1	F451 R452 F453 H458 I459	F451-M455 HydrophobicContact CD1-CG 4.21Å; F451-M455 HydrophobicContact CD2-CG 4.48Å; F451-M455 HydrophobicContact CE1-CG 3.75Å; F451-M455 HydrophobicContact CE2-CG 4.05Å; F451-M455 HydrophobicContact CE2-SD 4.21Å; F451-M455 HydrophobicContact CZ-CG 3.66Å; F451-M455 HydrophobicContact CZ-SD 3.9Å; F451-M455 WeakPolarHBondContact O-CG 3.2Å; F451-M455 PolarHBondContact O-N 3.35Å; R452-M455 PolarHBondContact O-N 3.38Å; F453-M455 PolarHBondContact O-N 3.09Å; M455-H458 PolarHBondContact O-N 3.01Å; M455-I459 WeakPolarHBondContact O-CB 3.11Å; M455-I459 VanDerWaalsContact O-CG1 3.23Å; M455-I459 WeakPolarHBondContact O-CG1 3.43Å; M455-I459 PolarHBondContact O-N 3.44Å
456	E	77	Confident	74.9	Confident	80 Å²	80	73.1 Å²	73.1	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-48.3	176.4	-73.7	174.3	170.9	0	0	110.9	R452 F453 H458 I459 E460	R452-E456 HydrophobicContact CG-CG 4.38Å; R452-E456 IonicContact CZ-OE1 3.25Å; R452-E456 IonicContact NE-OE1 3.06Å; R452-E456 PolarHBondContact NE-OE1 2.84Å; R452-E456 IonicContact NH2-OE1 3.53Å; R452-E456 PolarHBondContact NH2-OE1 3.5Å; R452-E456 WeakPolarHBondContact O-CG 3.38Å; R452-E456 PolarHBondContact O-N 2.91Å; F453-E456 PolarHBondContact O-N 3.15Å; E456-H458 PolarHBondContact O-N 3.25Å; E456-I459 PolarHBondContact O-N 2.99Å; E456-E460 WeakPolarHBondContact O-CB 3.36Å; E456-E460 PolarHBondContact O-N 3.23Å
457	Q	72.7	Confident	75.7	Confident	14 Å²	14	75.1 Å²	75.1	7%	0.065	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-42.2	177.3	-173.9	65	70.3	0	0	112.7	F453 F454 E460 N461 E870	F453-Q457 WeakPolarHBondContact O-CB 3.37Å; F453-Q457 PolarHBondContact O-N 2.85Å; F454-Q457 PolarHBondContact O-N 2.9Å; Q457-E460 PolarHBondContact O-N 2.91Å; Q457-N461 PolarHBondContact NE2-OD1 3.13Å; Q457-N461 PolarHBondContact O-N 2.88Å; Q457-E870 HydrophobicContact CG-CB 4.02Å; Q457-E870 HydrophobicContact CG-CG 4.1Å
458	H	77.1	Confident	76.3	Confident	68 Å²	68	74.6 Å²	74.6	32%	0.315	36%	0.362	S	S	.	.	H	α-helix	trans	-63.3	-46.6	-179.9	-178	74.7	0	0	0	111	F454 M455 E456 E460 N461 V462 E870	F454-H458 HydrophobicContact CZ-CB 4.44Å; F454-H458 VanDerWaalsContact O-CB 3.22Å; F454-H458 WeakPolarHBondContact O-CB 3.38Å; F454-H458 PolarHBondContact O-N 3.14Å; M455-H458 PolarHBondContact O-N 3.01Å; E456-H458 PolarHBondContact O-N 3.25Å; H458-E460 PolarHBondContact O-N 3.01Å; H458-N461 PolarHBondContact O-N 2.93Å; H458-V462 WeakPolarHBondContact O-CG2 3.5Å; H458-V462 PolarHBondContact O-N 2.8Å; H458-E870 IonicContact CE1-OE1 3.48Å; H458-E870 IonicContact CG-OE1 3.94Å; H458-E870 IonicContact ND1-OE1 2.8Å; H458-E870 PolarHBondContact ND1-OE1 3.02Å
459	I	76.6	Confident	76.7	Confident	92 Å²	92	74.8 Å²	74.8	47%	0.472	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-40.8	177.5	-66.5	-64.3	0	0	0	111.1	M455 E456 N461 V462 V463	M455-I459 WeakPolarHBondContact O-CB 3.11Å; M455-I459 VanDerWaalsContact O-CG1 3.23Å; M455-I459 WeakPolarHBondContact O-CG1 3.43Å; M455-I459 PolarHBondContact O-N 3.44Å; E456-I459 PolarHBondContact O-N 2.99Å; I459-N461 VanDerWaalsContact C-N 3.35Å; I459-N461 PolarHBondContact O-N 3.01Å; I459-V462 PolarHBondContact O-N 3.36Å; I459-V463 HydrophobicContact CG2-CG2 4.44Å; I459-V463 WeakPolarHBondContact O-CG2 3.14Å; I459-V463 PolarHBondContact O-N 3.04Å
460	E	76.7	Confident	77.5	Confident	82 Å²	82	72.6 Å²	72.6	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-58.5	-46	174.5	-173.5	176.7	175.9	0	0	111.7	E456 Q457 H458 V462 V463 K464	E456-E460 WeakPolarHBondContact O-CB 3.36Å; E456-E460 PolarHBondContact O-N 3.23Å; Q457-E460 PolarHBondContact O-N 2.91Å; H458-E460 PolarHBondContact O-N 3.01Å; E460-V462 PolarHBondContact O-N 3.36Å; E460-V463 PolarHBondContact O-N 2.62Å; E460-K464 WeakPolarHBondContact O-CB 3.33Å; E460-K464 PolarHBondContact O-N 3.22Å
461	N	77.3	Confident	78.3	Confident	27 Å²	27	75.6 Å²	75.6	14%	0.144	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-41.1	176.6	-74.4	-12.9	0	0	0	112.3	Q457 H458 I459 K464 M465 E870	Q457-N461 PolarHBondContact NE2-OD1 3.13Å; Q457-N461 PolarHBondContact O-N 2.88Å; H458-N461 PolarHBondContact O-N 2.93Å; I459-N461 VanDerWaalsContact C-N 3.35Å; I459-N461 PolarHBondContact O-N 3.01Å; N461-K464 PolarHBondContact O-N 2.84Å; N461-M465 WeakPolarHBondContact O-CB 3.47Å; N461-M465 VanDerWaalsContact O-CG 3.28Å; N461-M465 WeakPolarHBondContact O-CG 3.42Å; N461-M465 PolarHBondContact O-N 3.09Å; N461-E870 WeakPolarHBondContact ND2-CB 3.41Å; N461-E870 PolarHBondContact ND2-OE2 3.1Å
462	V	77.7	Confident	78.9	Confident	72 Å²	72	72 Å²	72	44%	0.436	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-44.6	176.7	169.8	0	0	0	0	111.1	H458 I459 E460 M465 Y466	H458-V462 WeakPolarHBondContact O-CG2 3.5Å; H458-V462 PolarHBondContact O-N 2.8Å; I459-V462 PolarHBondContact O-N 3.36Å; E460-V462 PolarHBondContact O-N 3.36Å; V462-M465 PolarHBondContact O-N 2.91Å; V462-Y466 PolarHBondContact O-N 3.19Å
463	V	76.9	Confident	79.3	Confident	75 Å²	75	71.9 Å²	71.9	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-65.2	-44.7	177.1	172.9	0	0	0	0	110.9	I459 E460 M465 Y466 N467	I459-V463 HydrophobicContact CG2-CG2 4.44Å; I459-V463 WeakPolarHBondContact O-CG2 3.14Å; I459-V463 PolarHBondContact O-N 3.04Å; E460-V463 PolarHBondContact O-N 2.62Å; V463-M465 VanDerWaalsContact C-N 3.33Å; V463-M465 PolarHBondContact O-N 3.48Å; V463-Y466 WeakPolarHBondContact O-CB 3.4Å; V463-Y466 PolarHBondContact O-N 2.88Å; V463-N467 PolarHBondContact O-N 3.13Å; V463-N467 PolarHBondContact O-ND2 2.86Å
464	K	80.2	Confident	80.2	Confident	73 Å²	73	75.9 Å²	75.9	32%	0.317	36%	0.364	S	S	.	.	H	α-helix	trans	-56	-48.5	174.9	179.8	174.4	177.1	172.1	0	110.9	E460 N461 Y466 N467 E468 E571	E460-K464 WeakPolarHBondContact O-CB 3.33Å; E460-K464 PolarHBondContact O-N 3.22Å; N461-K464 PolarHBondContact O-N 2.84Å; K464-Y466 VanDerWaalsContact C-N 3.33Å; K464-Y466 PolarHBondContact O-N 3.37Å; K464-N467 PolarHBondContact O-N 3.06Å; K464-E468 WeakPolarHBondContact CE-OE1 3.38Å; K464-E468 WeakPolarHBondContact O-CG 3.06Å; K464-E468 PolarHBondContact O-N 2.75Å; K464-E571 IonicContact NZ-OE2 3.01Å
465	M	79.7	Confident	80.7	Confident	56 Å²	56	77.9 Å²	77.9	28%	0.276	37%	0.374	S	S	.	.	H	α-helix	trans	-60.5	-40.5	177.3	-76.7	-179.1	53.2	0	0	112.7	N461 V462 V463 R469 L505 K508	N461-M465 WeakPolarHBondContact O-CB 3.47Å; N461-M465 VanDerWaalsContact O-CG 3.28Å; N461-M465 WeakPolarHBondContact O-CG 3.42Å; N461-M465 PolarHBondContact O-N 3.09Å; V462-M465 PolarHBondContact O-N 2.91Å; V463-M465 VanDerWaalsContact C-N 3.33Å; V463-M465 PolarHBondContact O-N 3.48Å; M465-R469 VanDerWaalsContact O-CG 3.23Å; M465-R469 WeakPolarHBondContact O-CG 3.29Å; M465-R469 PolarHBondContact O-N 3.36Å; M465-R469 VanDerWaalsContact O-N 3.09Å; M465-L505 HydrophobicContact CE-CD2 3.96Å; M465-K508 HydrophobicContact CE-CD 4.2Å
466	Y	79.1	Confident	81.1	Confident	149 Å²	149	77.4 Å²	77.4	58%	0.584	37%	0.372	S	S	*	.	H	α-helix	trans	-61	-48.5	174.7	173.6	-96.3	0	0	0	111.3	V462 V463 K464 E468 R469 V470	V462-Y466 PolarHBondContact O-N 3.19Å; V463-Y466 WeakPolarHBondContact O-CB 3.4Å; V463-Y466 PolarHBondContact O-N 2.88Å; K464-Y466 VanDerWaalsContact C-N 3.33Å; K464-Y466 PolarHBondContact O-N 3.37Å; Y466-E468 PolarHBondContact O-N 3.33Å; Y466-R469 WeakPolarHBondContact O-CB 3.39Å; Y466-R469 PolarHBondContact O-N 3.27Å; Y466-R469 VanDerWaalsContact O-N 3.17Å; Y466-V470 HydrophobicContact CD1-CG2 4.24Å; Y466-V470 HydrophobicContact CE1-CG2 3.78Å; Y466-V470 HydrophobicContact CE2-CG2 4.09Å; Y466-V470 WeakPolarHBondContact O-CG2 3.43Å; Y466-V470 PolarHBondContact O-N 3.22Å
467	N	83.5	Confident	81.6	Confident	92 Å²	92	76.4 Å²	76.4	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-61.5	-42.1	179.6	-69.4	-20.4	0	0	0	112.1	V463 K464 R469 V470 S471	V463-N467 PolarHBondContact O-N 3.13Å; V463-N467 PolarHBondContact O-ND2 2.86Å; K464-N467 PolarHBondContact O-N 3.06Å; N467-R469 VanDerWaalsContact C-N 3.34Å; N467-R469 PolarHBondContact O-N 3.04Å; N467-V470 PolarHBondContact O-N 2.78Å; N467-S471 WeakPolarHBondContact O-CB 3.46Å; N467-S471 PolarHBondContact O-N 3.49Å
468	E	84.7	Confident	82.2	Confident	61 Å²	61	82.1 Å²	82.1	29%	0.285	39%	0.388	S	S	.	.	H	α-helix	trans	-60.2	-42	174.8	-75.4	175.8	-169.6	0	0	112.4	K464 Y466 S471 R472	K464-E468 WeakPolarHBondContact CE-OE1 3.38Å; K464-E468 WeakPolarHBondContact O-CG 3.06Å; K464-E468 PolarHBondContact O-N 2.75Å; Y466-E468 PolarHBondContact O-N 3.33Å; E468-S471 PolarHBondContact O-N 3.2Å; E468-R472 WeakPolarHBondContact O-CG 3.17Å; E468-R472 PolarHBondContact O-N 2.98Å; E468-R472 IonicContact OE2-NH1 3.63Å
469	R	83.7	Confident	82.5	Confident	112 Å²	112	82 Å²	82	42%	0.423	39%	0.388	S	S	.	.	H	α-helix	trans	-65.3	-41.8	176.8	-70.8	175.7	71.3	-161	-2	111.8	M465 Y466 N467 R473 E501	M465-R469 VanDerWaalsContact O-CG 3.23Å; M465-R469 WeakPolarHBondContact O-CG 3.29Å; M465-R469 PolarHBondContact O-N 3.36Å; M465-R469 VanDerWaalsContact O-N 3.09Å; Y466-R469 WeakPolarHBondContact O-CB 3.39Å; Y466-R469 PolarHBondContact O-N 3.27Å; Y466-R469 VanDerWaalsContact O-N 3.17Å; N467-R469 VanDerWaalsContact C-N 3.34Å; N467-R469 PolarHBondContact O-N 3.04Å; R469-R473 WeakPolarHBondContact O-CB 3.37Å; R469-R473 PolarHBondContact O-N 3.22Å; R469-E501 WeakPolarHBondContact CG-OE2 3.27Å; R469-E501 IonicContact NE-OE2 3.56Å; R469-E501 PolarHBondContact NE-OE2 3.19Å
470	V	84.9	Confident	82.9	Confident	50 Å²	50	77.8 Å²	77.8	30%	0.303	37%	0.366	S	S	.	.	H	α-helix	trans	-63.9	-44.1	174.7	173.6	0	0	0	0	110.3	Y466 N467 R473 M474	Y466-V470 HydrophobicContact CD1-CG2 4.24Å; Y466-V470 HydrophobicContact CE1-CG2 3.78Å; Y466-V470 HydrophobicContact CE2-CG2 4.09Å; Y466-V470 WeakPolarHBondContact O-CG2 3.43Å; Y466-V470 PolarHBondContact O-N 3.22Å; N467-V470 PolarHBondContact O-N 2.78Å; V470-R473 WeakPolarHBondContact O-CB 3.28Å; V470-R473 PolarHBondContact O-N 3.31Å; V470-M474 HydrophobicContact CG1-CG 4.26Å; V470-M474 WeakPolarHBondContact O-CG 3.34Å; V470-M474 PolarHBondContact O-N 3.16Å
471	S	86.2	Confident	83.2	Confident	74 Å²	74	77.8 Å²	77.8	52%	0.517	38%	0.375	S	S	.	.	H	α-helix	trans	-59.7	-49.3	178	-173.8	0	0	0	0	111.7	N467 E468 R473 M474 Q475	N467-S471 WeakPolarHBondContact O-CB 3.46Å; N467-S471 PolarHBondContact O-N 3.49Å; E468-S471 PolarHBondContact O-N 3.2Å; S471-R473 VanDerWaalsContact C-N 3.33Å; S471-R473 PolarHBondContact O-N 3.07Å; S471-M474 PolarHBondContact O-N 3.02Å; S471-Q475 WeakPolarHBondContact O-CB 3.39Å; S471-Q475 PolarHBondContact O-N 2.69Å
472	R	87.2	Confident	83.6	Confident	33 Å²	33	84.1 Å²	84.1	13%	0.125	40%	0.397	C	S	.	.	H	α-helix	trans	-60	-40.4	175.6	-74.9	-171.8	-67.6	-88.5	-0.7	112.5	E468 Q475 I476 E501	E468-R472 WeakPolarHBondContact O-CG 3.17Å; E468-R472 PolarHBondContact O-N 2.98Å; E468-R472 IonicContact OE2-NH1 3.63Å; R472-Q475 PolarHBondContact O-N 3.41Å; R472-I476 PolarHBondContact O-N 2.68Å; R472-I476 VanDerWaalsContact O-N 3.17Å; R472-E501 IonicContact CZ-OE1 3.01Å; R472-E501 IonicContact NE-OE1 2.74Å; R472-E501 PolarHBondContact NE-OE1 2.67Å; R472-E501 IonicContact NH2-OE1 2.75Å; R472-E501 PolarHBondContact NH2-OE1 2.88Å; R472-E501 IonicContact NH2-OE2 3.77Å
473	R	85	Confident	83.8	Confident	163 Å²	163	83.2 Å²	83.2	62%	0.615	40%	0.397	S	S	*	.	H	α-helix	trans	-60	-52.1	173.1	176.8	-174.9	-85.9	-148	-3.6	110.8	R469 V470 S471 Q475 I476 E477 L497	R469-R473 WeakPolarHBondContact O-CB 3.37Å; R469-R473 PolarHBondContact O-N 3.22Å; V470-R473 WeakPolarHBondContact O-CB 3.28Å; V470-R473 PolarHBondContact O-N 3.31Å; S471-R473 VanDerWaalsContact C-N 3.33Å; S471-R473 PolarHBondContact O-N 3.07Å; R473-Q475 VanDerWaalsContact C-N 3.29Å; R473-Q475 PolarHBondContact O-N 3.39Å; R473-I476 PolarHBondContact O-N 2.64Å; R473-E477 HydrophobicContact CG-CG 4.43Å; R473-E477 WeakPolarHBondContact O-CG 3.39Å; R473-E477 PolarHBondContact O-N 3.44Å; R473-L497 HydrophobicContact CB-CD2 4.14Å
474	M	88.8	Confident	83.8	Confident	109 Å²	109	86.8 Å²	86.8	54%	0.537	41%	0.412	S	S	.	.	H	α-helix	trans	-62.8	-35	-178.5	-70.8	-62.8	-172.5	0	0	112.7	V470 S471 E477 R478	V470-M474 HydrophobicContact CG1-CG 4.26Å; V470-M474 WeakPolarHBondContact O-CG 3.34Å; V470-M474 PolarHBondContact O-N 3.16Å; S471-M474 PolarHBondContact O-N 3.02Å; M474-E477 PolarHBondContact O-N 3.1Å; M474-R478 WeakPolarHBondContact O-CB 3.33Å; M474-R478 PolarHBondContact O-N 3.06Å
475	Q	85.1	Confident	83.8	Confident	95 Å²	95	86.7 Å²	86.7	44%	0.444	41%	0.412	S	S	.	.	H	α-helix	trans	-61.3	-50.9	174.4	-175.8	179.7	-3.3	0	0	110.9	S471 R472 R473 E477 R478 E479	S471-Q475 WeakPolarHBondContact O-CB 3.39Å; S471-Q475 PolarHBondContact O-N 2.69Å; R472-Q475 PolarHBondContact O-N 3.41Å; R473-Q475 VanDerWaalsContact C-N 3.29Å; R473-Q475 PolarHBondContact O-N 3.39Å; Q475-E477 PolarHBondContact O-N 3.49Å; Q475-R478 PolarHBondContact O-N 3.12Å; Q475-E479 WeakPolarHBondContact O-CG 3.38Å; Q475-E479 PolarHBondContact O-N 2.7Å
476	I	83.9	Confident	84.1	Confident	49 Å²	49	87.4 Å²	87.4	25%	0.251	42%	0.422	S	S	.	.	H	α-helix	trans	-63.4	-40.6	178.3	-66.7	-172.1	0	0	0	111.2	R472 R473 R478 E479 M480 M493 L497	R472-I476 PolarHBondContact O-N 2.68Å; R472-I476 VanDerWaalsContact O-N 3.17Å; R473-I476 PolarHBondContact O-N 2.64Å; I476-R478 VanDerWaalsContact C-N 3.33Å; I476-R478 PolarHBondContact O-N 3.19Å; I476-E479 PolarHBondContact O-N 3.36Å; I476-M480 HydrophobicContact CG2-CE 3.9Å; I476-M480 HydrophobicContact CG2-CG 4.07Å; I476-M480 HydrophobicContact CG2-SD 3.98Å; I476-M480 WeakPolarHBondContact O-CB 3.41Å; I476-M480 WeakPolarHBondContact O-CG 3.36Å; I476-M480 PolarHBondContact O-N 3Å; I476-M493 HydrophobicContact CG2-CB 4.49Å; I476-L497 HydrophobicContact CD1-CB 3.93Å; I476-L497 HydrophobicContact CD1-CD1 3.89Å; I476-L497 HydrophobicContact CD1-CD2 3.98Å; I476-L497 HydrophobicContact CD1-CG 4.11Å
477	E	87	Confident	84.5	Confident	58 Å²	58	84 Å²	84	27%	0.271	43%	0.425	S	S	.	.	H	α-helix	trans	-60	-41.7	175	-65.8	-63.4	159.2	0	0	112.3	R473 M474 Q475 M480 S481 R494	R473-E477 HydrophobicContact CG-CG 4.43Å; R473-E477 WeakPolarHBondContact O-CG 3.39Å; R473-E477 PolarHBondContact O-N 3.44Å; M474-E477 PolarHBondContact O-N 3.1Å; Q475-E477 PolarHBondContact O-N 3.49Å; E477-M480 HydrophobicContact CB-CE 4.44Å; E477-M480 HydrophobicContact CG-CE 4.19Å; E477-M480 PolarHBondContact O-N 3.49Å; E477-M480 WeakPolarHBondContact OE1-CE 3.4Å; E477-M480 WeakPolarHBondContact OE2-CE 3.05Å; E477-S481 WeakPolarHBondContact O-CB 3.47Å; E477-S481 PolarHBondContact O-N 3.49Å; E477-S481 PolarHBondContact O-OG 3.18Å; E477-R494 IonicContact OE1-CZ 3.84Å; E477-R494 IonicContact OE1-NE 3.57Å; E477-R494 PolarHBondContact OE1-NE 2.92Å; E477-R494 IonicContact OE1-NH2 2.78Å; E477-R494 IonicContact OE2-CZ 2.63Å; E477-R494 IonicContact OE2-NE 3.67Å; E477-R494 PolarHBondContact OE2-NE 2.91Å; E477-R494 IonicContact OE2-NH2 2.68Å; E477-R494 PolarHBondContact OE2-NH2 3.02Å
478	R	86.1	Confident	84.7	Confident	134 Å²	134	86.4 Å²	86.4	51%	0.506	43%	0.433	S	S	.	.	H	α-helix	trans	-64.2	-46.2	176.8	-167.6	-176.7	-61.2	142.7	0.4	111.6	M474 Q475 I476 S481 R482	M474-R478 WeakPolarHBondContact O-CB 3.33Å; M474-R478 PolarHBondContact O-N 3.06Å; Q475-R478 PolarHBondContact O-N 3.12Å; I476-R478 VanDerWaalsContact C-N 3.33Å; I476-R478 PolarHBondContact O-N 3.19Å; R478-S481 PolarHBondContact O-N 2.95Å; R478-S481 PolarHBondContact O-OG 3.35Å; R478-R482 WeakPolarHBondContact O-CG 3.45Å; R478-R482 PolarHBondContact O-N 2.56Å
479	E	83	Confident	84.7	Confident	67 Å²	67	86.4 Å²	86.4	31%	0.313	44%	0.435	S	S	.	.	H	α-helix	trans	-64.8	-41.4	177.4	-64.8	-49.9	134.3	0	0	112	Q475 I476 S481 R482 A483	Q475-E479 WeakPolarHBondContact O-CG 3.38Å; Q475-E479 PolarHBondContact O-N 2.7Å; I476-E479 PolarHBondContact O-N 3.36Å; E479-S481 VanDerWaalsContact C-N 3.29Å; E479-S481 PolarHBondContact O-N 3.14Å; E479-R482 PolarHBondContact O-N 2.72Å; E479-R482 IonicContact OE1-CZ 2.72Å; E479-R482 IonicContact OE1-NH1 2.7Å; E479-R482 PolarHBondContact OE1-NH1 3.11Å; E479-A483 PolarHBondContact O-N 2.85Å
480	M	84.5	Confident	84.8	Confident	3 Å²	3	83.5 Å²	83.5	2%	0.015	43%	0.426	C	S	.	.	H	α-helix	trans	-61.5	-37.6	174.8	-72.1	-172.3	-56.6	0	0	112.5	I476 E477 I484 F485 Q490 M493 R494	I476-M480 HydrophobicContact CG2-CE 3.9Å; I476-M480 HydrophobicContact CG2-CG 4.07Å; I476-M480 HydrophobicContact CG2-SD 3.98Å; I476-M480 WeakPolarHBondContact O-CB 3.41Å; I476-M480 WeakPolarHBondContact O-CG 3.36Å; I476-M480 PolarHBondContact O-N 3Å; E477-M480 HydrophobicContact CB-CE 4.44Å; E477-M480 HydrophobicContact CG-CE 4.19Å; E477-M480 PolarHBondContact O-N 3.49Å; E477-M480 WeakPolarHBondContact OE1-CE 3.4Å; E477-M480 WeakPolarHBondContact OE2-CE 3.05Å; M480-I484 PolarHBondContact O-N 2.99Å; M480-F485 HydrophobicContact CB-CD2 4.14Å; M480-F485 HydrophobicContact CG-CD2 3.98Å; M480-F485 HydrophobicContact CG-CE2 4.41Å; M480-Q490 HydrophobicContact CB-CG 4.34Å; M480-Q490 HydrophobicContact SD-CB 3.88Å; M480-Q490 HydrophobicContact SD-CG 4.12Å; M480-M493 HydrophobicContact CG-CB 4.41Å; M480-M493 HydrophobicContact CG-SD 4.48Å; M480-M493 HydrophobicContact SD-CB 3.57Å; M480-M493 VanDerWaalsContact SD-CB 3.57Å; M480-M493 HydrophobicContact SD-CG 4.17Å; M480-R494 HydrophobicContact CE-CG 4.02Å
481	S	82.4	Confident	85	Confident	81 Å²	81	83.4 Å²	83.4	57%	0.566	43%	0.427	S	S	*	.	H	α-helix	trans	-68.7	-35.5	176.1	73.9	0	0	0	0	112.9	E477 R478 E479	E477-S481 WeakPolarHBondContact O-CB 3.47Å; E477-S481 PolarHBondContact O-N 3.49Å; E477-S481 PolarHBondContact O-OG 3.18Å; R478-S481 PolarHBondContact O-N 2.95Å; R478-S481 PolarHBondContact O-OG 3.35Å; E479-S481 VanDerWaalsContact C-N 3.29Å; E479-S481 PolarHBondContact O-N 3.14Å
482	R	86.2	Confident	85.1	Confident	161 Å²	161	84.2 Å²	84.2	61%	0.608	42%	0.423	S	S	*	.	H	α-helix	trans	-72.7	-40.1	179.4	-74.7	172.4	174.9	167.8	-10.5	112.6	R478 E479 I484	R478-R482 WeakPolarHBondContact O-CG 3.45Å; R478-R482 PolarHBondContact O-N 2.56Å; E479-R482 PolarHBondContact O-N 2.72Å; E479-R482 IonicContact OE1-CZ 2.72Å; E479-R482 IonicContact OE1-NH1 2.7Å; E479-R482 PolarHBondContact OE1-NH1 3.11Å; R482-I484 VanDerWaalsContact C-N 3.31Å; R482-I484 PolarHBondContact O-N 2.77Å
483	A	82.1	Confident	84.9	Confident	52 Å²	52	85.3 Å²	85.3	43%	0.43	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.2	-177.5	0	0	0	0	0	114.1	E479 F485	E479-A483 PolarHBondContact O-N 2.85Å; A483-F485 HydrophobicContact CB-CD1 4.04Å; A483-F485 HydrophobicContact CB-CD2 4.03Å; A483-F485 HydrophobicContact CB-CE1 3.56Å; A483-F485 HydrophobicContact CB-CE2 3.53Å; A483-F485 HydrophobicContact CB-CG 4.26Å; A483-F485 HydrophobicContact CB-CZ 3.28Å; A483-F485 PolarHBondContact O-N 3.42Å
484	I	76.6	Confident	85	Confident	151 Å²	151	82.4 Å²	82.4	77%	0.774	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	52.6	178.6	-43.1	178.2	0	0	0	111.7	M480 R482	M480-I484 PolarHBondContact O-N 2.99Å; R482-I484 VanDerWaalsContact C-N 3.31Å; R482-I484 PolarHBondContact O-N 2.77Å
485	F	81.1	Confident	85.1	Confident	70 Å²	70	85 Å²	85	31%	0.307	42%	0.423	S	S	.	.			trans	-73.2	151.1	179.2	-65	-44.6	0	0	0	112.8	M480 A483 L489 Q490 M493	M480-F485 HydrophobicContact CB-CD2 4.14Å; M480-F485 HydrophobicContact CG-CD2 3.98Å; M480-F485 HydrophobicContact CG-CE2 4.41Å; A483-F485 HydrophobicContact CB-CD1 4.04Å; A483-F485 HydrophobicContact CB-CD2 4.03Å; A483-F485 HydrophobicContact CB-CE1 3.56Å; A483-F485 HydrophobicContact CB-CE2 3.53Å; A483-F485 HydrophobicContact CB-CG 4.26Å; A483-F485 HydrophobicContact CB-CZ 3.28Å; A483-F485 PolarHBondContact O-N 3.42Å; F485-L489 HydrophobicContact CB-CB 4.25Å; F485-L489 HydrophobicContact CB-CD2 3.95Å; F485-L489 HydrophobicContact CB-CG 4.17Å; F485-L489 HydrophobicContact CD1-CD2 3.43Å; F485-L489 VanDerWaalsContact CD1-CD2 3.43Å; F485-L489 HydrophobicContact CD1-CG 4.39Å; F485-L489 HydrophobicContact CD2-CD2 4.46Å; F485-L489 HydrophobicContact CE1-CD2 3.99Å; F485-L489 HydrophobicContact CG-CD2 3.71Å; F485-L489 HydrophobicContact CG-CG 4.19Å; F485-Q490 HydrophobicContact CB-CG 3.91Å; F485-Q490 PolarHBondContact O-NE2 3.28Å; F485-M493 HydrophobicContact CE2-SD 4.31Å
486	S	86.1	Confident	85.1	Confident	72 Å²	72	84.6 Å²	84.6	50%	0.503	42%	0.423	S	S	.	.			trans	-58.6	149.8	171.3	72.7	0	0	0	0	111.2	Q488 L489 Q490	S486-Q488 PolarHBondContact O-N 3.45Å; S486-Q488 VanDerWaalsContact O-N 3.1Å; S486-L489 PolarHBondContact O-N 3.23Å; S486-L489 WeakPolarHBondContact OG-CB 3.42Å; S486-L489 PolarHBondContact OG-N 2.96Å; S486-Q490 WeakPolarHBondContact O-CG 3.16Å; S486-Q490 PolarHBondContact O-N 2.77Å
487	A	87.2	Confident	85.2	Confident	77 Å²	77	83.4 Å²	83.4	64%	0.636	42%	0.417	S	S	*	.	H	α-helix	trans	-55.6	-32.5	179.4	0	0	0	0	0	112.7	C491	A487-C491 WeakPolarHBondContact O-CB 3.46Å; A487-C491 PolarHBondContact O-N 3.46Å
488	Q	87.2	Confident	85.1	Confident	143 Å²	143	83.6 Å²	83.6	67%	0.668	43%	0.429	S	S	*	.	H	α-helix	trans	-66.2	-48.2	174.7	-176.6	177.3	-2.1	0	0	112.1	S486 Q490 C491 Q492	S486-Q488 PolarHBondContact O-N 3.45Å; S486-Q488 VanDerWaalsContact O-N 3.1Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 2.98Å; Q488-C491 WeakPolarHBondContact O-CB 3.07Å; Q488-C491 PolarHBondContact O-N 3.14Å; Q488-Q492 WeakPolarHBondContact O-CG 3.3Å; Q488-Q492 PolarHBondContact O-N 2.87Å
489	L	84.7	Confident	85	Confident	60 Å²	60	83.3 Å²	83.3	31%	0.314	43%	0.433	S	S	.	.	H	α-helix	trans	-65	-39.3	178.4	-179.3	57.9	0	0	0	111	F485 S486 C491 Q492 M493	F485-L489 HydrophobicContact CB-CB 4.25Å; F485-L489 HydrophobicContact CB-CD2 3.95Å; F485-L489 HydrophobicContact CB-CG 4.17Å; F485-L489 HydrophobicContact CD1-CD2 3.43Å; F485-L489 VanDerWaalsContact CD1-CD2 3.43Å; F485-L489 HydrophobicContact CD1-CG 4.39Å; F485-L489 HydrophobicContact CD2-CD2 4.46Å; F485-L489 HydrophobicContact CE1-CD2 3.99Å; F485-L489 HydrophobicContact CG-CD2 3.71Å; F485-L489 HydrophobicContact CG-CG 4.19Å; S486-L489 PolarHBondContact O-N 3.23Å; S486-L489 WeakPolarHBondContact OG-CB 3.42Å; S486-L489 PolarHBondContact OG-N 2.96Å; L489-C491 VanDerWaalsContact C-N 3.34Å; L489-C491 PolarHBondContact O-N 3.14Å; L489-Q492 PolarHBondContact O-N 2.7Å; L489-M493 HydrophobicContact CD1-CG 4.37Å; L489-M493 HydrophobicContact CG-CG 4.46Å; L489-M493 WeakPolarHBondContact O-CG 3.43Å; L489-M493 PolarHBondContact O-N 3.03Å
490	Q	85.7	Confident	85	Confident	51 Å²	51	86.1 Å²	86.1	24%	0.238	44%	0.444	C	S	.	.	H	α-helix	trans	-59.6	-44	172.4	-64.6	179.5	12.8	0	0	112	M480 F485 S486 Q488 Q492 M493 R494	M480-Q490 HydrophobicContact CB-CG 4.34Å; M480-Q490 HydrophobicContact SD-CB 3.88Å; M480-Q490 HydrophobicContact SD-CG 4.12Å; F485-Q490 HydrophobicContact CB-CG 3.91Å; F485-Q490 PolarHBondContact O-NE2 3.28Å; S486-Q490 WeakPolarHBondContact O-CG 3.16Å; S486-Q490 PolarHBondContact O-N 2.77Å; Q488-Q490 VanDerWaalsContact C-N 3.33Å; Q488-Q490 PolarHBondContact O-N 2.98Å; Q490-Q492 VanDerWaalsContact C-N 3.35Å; Q490-Q492 PolarHBondContact O-N 2.89Å; Q490-M493 PolarHBondContact O-N 3.41Å; Q490-R494 WeakPolarHBondContact O-CG 3.31Å; Q490-R494 PolarHBondContact O-N 3.49Å
491	C	88.5	Confident	84.9	Confident	48 Å²	48	86.5 Å²	86.5	32%	0.324	45%	0.446	S	S	.	.	H	α-helix	trans	-61.2	-43	175.6	-175.1	0	0	0	0	111.8	A487 Q488 L489 R494 R495	A487-C491 WeakPolarHBondContact O-CB 3.46Å; A487-C491 PolarHBondContact O-N 3.46Å; Q488-C491 WeakPolarHBondContact O-CB 3.07Å; Q488-C491 PolarHBondContact O-N 3.14Å; L489-C491 VanDerWaalsContact C-N 3.34Å; L489-C491 PolarHBondContact O-N 3.14Å; C491-R494 PolarHBondContact O-N 2.8Å; C491-R495 WeakPolarHBondContact O-CG 3.33Å; C491-R495 PolarHBondContact O-N 2.77Å
492	Q	88.1	Confident	84.9	Confident	92 Å²	92	86.3 Å²	86.3	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-45.7	175.8	-73.8	177.5	-25.4	0	0	112.1	Q488 L489 Q490 R494 R495 L496	Q488-Q492 WeakPolarHBondContact O-CG 3.3Å; Q488-Q492 PolarHBondContact O-N 2.87Å; L489-Q492 PolarHBondContact O-N 2.7Å; Q490-Q492 VanDerWaalsContact C-N 3.35Å; Q490-Q492 PolarHBondContact O-N 2.89Å; Q492-R494 VanDerWaalsContact C-N 3.33Å; Q492-R494 PolarHBondContact O-N 2.8Å; Q492-R495 WeakPolarHBondContact O-CB 3.37Å; Q492-R495 PolarHBondContact O-N 3.02Å; Q492-R495 VanDerWaalsContact O-N 3.12Å; Q492-L496 WeakPolarHBondContact O-CG 3.23Å; Q492-L496 PolarHBondContact O-N 3.48Å
493	M	83.7	Confident	84.6	Confident	56 Å²	56	81.2 Å²	81.2	28%	0.276	43%	0.433	S	S	.	.	H	α-helix	trans	-58.4	-43.5	176.9	-67	-117.2	83.5	0	0	111.9	I476 M480 F485 L489 Q490 R495 L496 L497	I476-M493 HydrophobicContact CG2-CB 4.49Å; M480-M493 HydrophobicContact CG-CB 4.41Å; M480-M493 HydrophobicContact CG-SD 4.48Å; M480-M493 HydrophobicContact SD-CB 3.57Å; M480-M493 VanDerWaalsContact SD-CB 3.57Å; M480-M493 HydrophobicContact SD-CG 4.17Å; F485-M493 HydrophobicContact CE2-SD 4.31Å; L489-M493 HydrophobicContact CD1-CG 4.37Å; L489-M493 HydrophobicContact CG-CG 4.46Å; L489-M493 WeakPolarHBondContact O-CG 3.43Å; L489-M493 PolarHBondContact O-N 3.03Å; Q490-M493 PolarHBondContact O-N 3.41Å; M493-R495 PolarHBondContact O-N 3.21Å; M493-L496 PolarHBondContact O-N 3.19Å; M493-L497 PolarHBondContact O-N 2.87Å
494	R	88.2	Confident	84.4	Confident	102 Å²	102	79.4 Å²	79.4	39%	0.385	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-41.3	174.8	-69.9	176.3	-173.1	118	7.2	112.3	E477 M480 Q490 C491 Q492 L497 A498	E477-R494 IonicContact OE1-CZ 3.84Å; E477-R494 IonicContact OE1-NE 3.57Å; E477-R494 PolarHBondContact OE1-NE 2.92Å; E477-R494 IonicContact OE1-NH2 2.78Å; E477-R494 IonicContact OE2-CZ 2.63Å; E477-R494 IonicContact OE2-NE 3.67Å; E477-R494 PolarHBondContact OE2-NE 2.91Å; E477-R494 IonicContact OE2-NH2 2.68Å; E477-R494 PolarHBondContact OE2-NH2 3.02Å; M480-R494 HydrophobicContact CE-CG 4.02Å; Q490-R494 WeakPolarHBondContact O-CG 3.31Å; Q490-R494 PolarHBondContact O-N 3.49Å; C491-R494 PolarHBondContact O-N 2.8Å; Q492-R494 VanDerWaalsContact C-N 3.33Å; Q492-R494 PolarHBondContact O-N 2.8Å; R494-L497 PolarHBondContact O-N 3.18Å; R494-A498 PolarHBondContact O-N 3.34Å
495	R	89.2	Confident	84.5	Confident	164 Å²	164	74.7 Å²	74.7	62%	0.619	39%	0.392	S	S	*	.	H	α-helix	trans	-63.9	-42	176.2	-73.1	176	-176.2	-177.5	1.1	111.6	C491 Q492 M493 A498 Q499	C491-R495 WeakPolarHBondContact O-CG 3.33Å; C491-R495 PolarHBondContact O-N 2.77Å; Q492-R495 WeakPolarHBondContact O-CB 3.37Å; Q492-R495 PolarHBondContact O-N 3.02Å; Q492-R495 VanDerWaalsContact O-N 3.12Å; M493-R495 PolarHBondContact O-N 3.21Å; R495-A498 PolarHBondContact O-N 2.79Å; R495-Q499 WeakPolarHBondContact O-CG 2.97Å; R495-Q499 PolarHBondContact O-N 3.04Å
496	L	86.2	Confident	84.4	Confident	86 Å²	86	75.8 Å²	75.8	45%	0.45	39%	0.394	S	S	.	.	H	α-helix	trans	-62.1	-44.3	176.6	-72.3	171.9	0	0	0	111.8	Q492 M493 A498 Q499 K500	Q492-L496 WeakPolarHBondContact O-CG 3.23Å; Q492-L496 PolarHBondContact O-N 3.48Å; M493-L496 PolarHBondContact O-N 3.19Å; L496-A498 VanDerWaalsContact C-N 3.35Å; L496-A498 PolarHBondContact O-N 3.4Å; L496-Q499 PolarHBondContact O-N 3.44Å; L496-K500 WeakPolarHBondContact O-CG 3.3Å; L496-K500 PolarHBondContact O-N 2.79Å
497	L	85.6	Confident	83.9	Confident	24 Å²	24	74.2 Å²	74.2	13%	0.126	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-46.4	174.1	178.8	63	0	0	0	111.1	R473 I476 M493 R494 Q499 K500 E501	R473-L497 HydrophobicContact CB-CD2 4.14Å; I476-L497 HydrophobicContact CD1-CB 3.93Å; I476-L497 HydrophobicContact CD1-CD1 3.89Å; I476-L497 HydrophobicContact CD1-CD2 3.98Å; I476-L497 HydrophobicContact CD1-CG 4.11Å; M493-L497 PolarHBondContact O-N 2.87Å; R494-L497 PolarHBondContact O-N 3.18Å; L497-Q499 VanDerWaalsContact C-N 3.31Å; L497-Q499 PolarHBondContact O-N 3.34Å; L497-K500 PolarHBondContact O-N 3.46Å; L497-E501 HydrophobicContact CD1-CG 4.18Å; L497-E501 HydrophobicContact CG-CG 4.36Å; L497-E501 WeakPolarHBondContact O-CB 3.49Å; L497-E501 VanDerWaalsContact O-CG 3.32Å; L497-E501 WeakPolarHBondContact O-CG 3.27Å; L497-E501 PolarHBondContact O-N 2.88Å
498	A	83.8	Confident	83.4	Confident	62 Å²	62	73.3 Å²	73.3	51%	0.512	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-39	179.1	0	0	0	0	0	112.6	R494 R495 L496 S502	R494-A498 PolarHBondContact O-N 3.34Å; R495-A498 PolarHBondContact O-N 2.79Å; L496-A498 VanDerWaalsContact C-N 3.35Å; L496-A498 PolarHBondContact O-N 3.4Å; A498-S502 WeakPolarHBondContact O-CB 3.22Å; A498-S502 PolarHBondContact O-N 3.18Å
499	Q	84.6	Confident	82.8	Confident	127 Å²	127	74.8 Å²	74.8	59%	0.593	36%	0.36	S	S	*	.	H	α-helix	trans	-65.8	-46.4	174.5	-73.9	175.1	-7.1	0	0	111.9	R495 L496 L497 E501 S502 S503	R495-Q499 WeakPolarHBondContact O-CG 2.97Å; R495-Q499 PolarHBondContact O-N 3.04Å; L496-Q499 PolarHBondContact O-N 3.44Å; L497-Q499 VanDerWaalsContact C-N 3.31Å; L497-Q499 PolarHBondContact O-N 3.34Å; Q499-E501 VanDerWaalsContact C-N 3.33Å; Q499-E501 PolarHBondContact O-N 2.73Å; Q499-S502 PolarHBondContact O-N 2.88Å; Q499-S503 WeakPolarHBondContact O-CB 3.32Å; Q499-S503 PolarHBondContact O-N 3.43Å
500	K	82.5	Confident	82.4	Confident	127 Å²	127	74.2 Å²	74.2	55%	0.552	36%	0.356	S	S	*	.	H	α-helix	trans	-59.4	-43.5	175.7	-75.4	-171	175.2	-173.7	0	111.7	L496 L497 S503 Y504 F876	L496-K500 WeakPolarHBondContact O-CG 3.3Å; L496-K500 PolarHBondContact O-N 2.79Å; L497-K500 PolarHBondContact O-N 3.46Å; K500-S503 PolarHBondContact O-N 3.29Å; K500-Y504 WeakPolarHBondContact O-CB 3.35Å; K500-Y504 PolarHBondContact O-N 3.47Å; K500-F876 HydrophobicContact CB-CZ 4.35Å
501	E	83.9	Confident	82.3	Confident	11 Å²	11	78.6 Å²	78.6	5%	0.051	38%	0.375	C	S	.	.	H	α-helix	trans	-60.9	-45.3	175.4	-75.6	-70.7	170.1	0	0	112.3	R469 R472 L497 Q499 Y504 L505	R469-E501 WeakPolarHBondContact CG-OE2 3.27Å; R469-E501 IonicContact NE-OE2 3.56Å; R469-E501 PolarHBondContact NE-OE2 3.19Å; R472-E501 IonicContact CZ-OE1 3.01Å; R472-E501 IonicContact NE-OE1 2.74Å; R472-E501 PolarHBondContact NE-OE1 2.67Å; R472-E501 IonicContact NH2-OE1 2.75Å; R472-E501 PolarHBondContact NH2-OE1 2.88Å; R472-E501 IonicContact NH2-OE2 3.77Å; L497-E501 HydrophobicContact CD1-CG 4.18Å; L497-E501 HydrophobicContact CG-CG 4.36Å; L497-E501 WeakPolarHBondContact O-CB 3.49Å; L497-E501 VanDerWaalsContact O-CG 3.32Å; L497-E501 WeakPolarHBondContact O-CG 3.27Å; L497-E501 PolarHBondContact O-N 2.88Å; Q499-E501 VanDerWaalsContact C-N 3.33Å; Q499-E501 PolarHBondContact O-N 2.73Å; E501-Y504 PolarHBondContact O-N 3.48Å; E501-L505 VanDerWaalsContact O-CG 3.3Å; E501-L505 WeakPolarHBondContact O-CG 3.46Å; E501-L505 PolarHBondContact O-N 3.09Å
502	S	82.1	Confident	82.2	Confident	77 Å²	77	77.3 Å²	77.3	54%	0.538	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-44.3	176.7	-173.5	0	0	0	0	112.1	A498 Q499 L505 R506	A498-S502 WeakPolarHBondContact O-CB 3.22Å; A498-S502 PolarHBondContact O-N 3.18Å; Q499-S502 PolarHBondContact O-N 2.88Å; S502-L505 PolarHBondContact O-N 2.97Å; S502-R506 PolarHBondContact O-N 3.25Å
503	S	78.5	Confident	82.3	Confident	53 Å²	53	76.6 Å²	76.6	37%	0.371	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-46.9	176.5	-172	0	0	0	0	111.3	Q499 K500 L505 R506 L507	Q499-S503 WeakPolarHBondContact O-CB 3.32Å; Q499-S503 PolarHBondContact O-N 3.43Å; K500-S503 PolarHBondContact O-N 3.29Å; S503-L505 PolarHBondContact O-N 2.93Å; S503-R506 WeakPolarHBondContact O-CB 3.3Å; S503-R506 PolarHBondContact O-N 2.89Å; S503-R506 VanDerWaalsContact O-N 3.12Å; S503-L507 PolarHBondContact O-N 3.07Å
504	Y	78.3	Confident	82.6	Confident	15 Å²	15	76 Å²	76	6%	0.059	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-43.6	176.8	174.9	-115.8	0	0	0	112.9	K500 E501 R506 L507 K508 R874 F876	K500-Y504 WeakPolarHBondContact O-CB 3.35Å; K500-Y504 PolarHBondContact O-N 3.47Å; E501-Y504 PolarHBondContact O-N 3.48Å; Y504-R506 VanDerWaalsContact C-N 3.26Å; Y504-R506 PolarHBondContact O-N 2.86Å; Y504-L507 WeakPolarHBondContact O-CB 3.4Å; Y504-L507 PolarHBondContact O-N 3.35Å; Y504-K508 HydrophobicContact CD1-CD 4.26Å; Y504-K508 HydrophobicContact CD2-CG 4.47Å; Y504-K508 HydrophobicContact CE1-CD 3.71Å; Y504-K508 HydrophobicContact CE1-CG 4.44Å; Y504-K508 HydrophobicContact CE2-CD 4.15Å; Y504-K508 HydrophobicContact CE2-CG 4.09Å; Y504-K508 PolarHBondContact O-N 2.79Å; Y504-K508 WeakPolarHBondContact OH-CE 3.21Å; Y504-K508 PolarHBondContact OH-NZ 3.15Å; Y504-R874 WeakPolarHBondContact CE2-O 3.34Å; Y504-R874 PolarHBondContact OH-O 3.14Å; Y504-F876 AromaticContact CD1-CD2 3.38Å; Y504-F876 HydrophobicContact CD1-CD2 3.38Å; Y504-F876 AromaticContact CD1-CE2 3.75Å; Y504-F876 HydrophobicContact CD1-CE2 3.75Å; Y504-F876 HydrophobicContact CD2-CB 4.38Å; Y504-F876 AromaticContact CD2-CD2 3.71Å; Y504-F876 HydrophobicContact CD2-CD2 3.71Å; Y504-F876 HydrophobicContact CD2-CE2 4.45Å; Y504-F876 HydrophobicContact CD2-CG 4.4Å; Y504-F876 AromaticContact CE1-CD2 3.61Å; Y504-F876 HydrophobicContact CE1-CD2 3.61Å; Y504-F876 HydrophobicContact CE1-CE2 4.36Å; Y504-F876 VanDerWaalsContact CE2-CA 3.46Å; Y504-F876 HydrophobicContact CE2-CB 4Å; Y504-F876 AromaticContact CE2-CD2 3.99Å; Y504-F876 HydrophobicContact CE2-CD2 3.99Å; Y504-F876 HydrophobicContact CE2-CG 4.46Å; Y504-F876 AromaticContact CG-CD2 3.36Å; Y504-F876 HydrophobicContact CG-CD2 3.36Å; Y504-F876 AromaticContact CG-CE2 3.73Å; Y504-F876 HydrophobicContact CG-CE2 3.73Å; Y504-F876 HydrophobicContact CG-CG 4.43Å; Y504-F876 AromaticContact CZ-CD2 3.87Å
505	L	79.8	Confident	82.7	Confident	51 Å²	51	74.5 Å²	74.5	27%	0.267	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-29.8	175.6	-71.5	174.2	0	0	0	112.6	M465 E501 S502 S503 R509	M465-L505 HydrophobicContact CE-CD2 3.96Å; E501-L505 VanDerWaalsContact O-CG 3.3Å; E501-L505 WeakPolarHBondContact O-CG 3.46Å; E501-L505 PolarHBondContact O-N 3.09Å; S502-L505 PolarHBondContact O-N 2.97Å; S503-L505 PolarHBondContact O-N 2.93Å; L505-R509 WeakPolarHBondContact O-CG 3.17Å; L505-R509 PolarHBondContact O-NE 3.31Å
506	R	78.5	Confident	82.9	Confident	94 Å²	94	69.3 Å²	69.3	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-73.4	-45	172.1	-175.9	174.7	168	-176.9	-7.3	111.2	S502 S503 Y504 K508 R509 Q510	S502-R506 PolarHBondContact O-N 3.25Å; S503-R506 WeakPolarHBondContact O-CB 3.3Å; S503-R506 PolarHBondContact O-N 2.89Å; S503-R506 VanDerWaalsContact O-N 3.12Å; Y504-R506 VanDerWaalsContact C-N 3.26Å; Y504-R506 PolarHBondContact O-N 2.86Å; R506-K508 VanDerWaalsContact C-N 3.32Å; R506-K508 PolarHBondContact O-N 3.13Å; R506-R509 WeakPolarHBondContact O-CB 3.44Å; R506-R509 PolarHBondContact O-N 3.33Å; R506-R509 VanDerWaalsContact O-N 3.08Å; R506-Q510 PolarHBondContact O-N 3.36Å
507	L	76.1	Confident	83.3	Confident	38 Å²	38	65.9 Å²	65.9	20%	0.199	33%	0.331	C	S	.	.	H	α-helix	trans	-55.7	-44.6	174.3	-107.1	-50.1	0	0	0	112.4	S503 Y504 R509 Q510 R874	S503-L507 PolarHBondContact O-N 3.07Å; Y504-L507 WeakPolarHBondContact O-CB 3.4Å; Y504-L507 PolarHBondContact O-N 3.35Å; L507-R509 PolarHBondContact O-N 2.96Å; L507-Q510 VanDerWaalsContact CD1-OE1 3.26Å; L507-Q510 WeakPolarHBondContact O-CB 3.44Å; L507-Q510 PolarHBondContact O-N 2.84Å; L507-R874 VanDerWaalsContact CD1-NH2 3.27Å
508	K	75.5	Confident	83.8	Confident	59 Å²	59	69.8 Å²	69.8	26%	0.257	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.8	177.2	-86.8	-173.5	152.4	177.4	0	113.9	M465 Y504 R506 Q510 R874	M465-K508 HydrophobicContact CE-CD 4.2Å; Y504-K508 HydrophobicContact CD1-CD 4.26Å; Y504-K508 HydrophobicContact CD2-CG 4.47Å; Y504-K508 HydrophobicContact CE1-CD 3.71Å; Y504-K508 HydrophobicContact CE1-CG 4.44Å; Y504-K508 HydrophobicContact CE2-CD 4.15Å; Y504-K508 HydrophobicContact CE2-CG 4.09Å; Y504-K508 PolarHBondContact O-N 2.79Å; Y504-K508 WeakPolarHBondContact OH-CE 3.21Å; Y504-K508 PolarHBondContact OH-NZ 3.15Å; R506-K508 VanDerWaalsContact C-N 3.32Å; R506-K508 PolarHBondContact O-N 3.13Å; K508-Q510 VanDerWaalsContact C-N 3.35Å; K508-R874 HydrophobicContact CG-CB 4.32Å
509	R	75.4	Confident	84.4	Confident	173 Å²	173	71.5 Å²	71.5	65%	0.653	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.9	176.4	-72	179.8	-78	170.5	-2.7	112.7	L505 R506 L507 K511	L505-R509 WeakPolarHBondContact O-CG 3.17Å; L505-R509 PolarHBondContact O-NE 3.31Å; R506-R509 WeakPolarHBondContact O-CB 3.44Å; R506-R509 PolarHBondContact O-N 3.33Å; R506-R509 VanDerWaalsContact O-N 3.08Å; L507-R509 PolarHBondContact O-N 2.96Å; R509-K511 PolarHBondContact O-N 3.08Å
510	Q	76.9	Confident	84.8	Confident	49 Å²	49	69.1 Å²	69.1	23%	0.229	34%	0.336	C	S	.	.	S	Bend	trans	-74.7	125.1	175.2	-66.4	178.1	-10.2	0	0	109.3	C422 R506 L507 K508 L512	C422-Q510 PolarHBondContact O-NE2 3.17Å; R506-Q510 PolarHBondContact O-N 3.36Å; L507-Q510 VanDerWaalsContact CD1-OE1 3.26Å; L507-Q510 WeakPolarHBondContact O-CB 3.44Å; L507-Q510 PolarHBondContact O-N 2.84Å; K508-Q510 VanDerWaalsContact C-N 3.35Å; Q510-L512 PolarHBondContact O-N 3.27Å
511	K	82.8	Confident	85.3	Confident	143 Å²	143	66.7 Å²	66.7	62%	0.622	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-75.6	117.4	175.7	-173	-178.3	173.1	-135.4	0	108.5	R509 E513 M516	R509-K511 PolarHBondContact O-N 3.08Å; K511-E513 HydrophobicContact CG-CG 4.44Å; K511-E513 IonicContact NZ-OE1 2.86Å; K511-E513 PolarHBondContact NZ-OE1 2.96Å; K511-M516 VanDerWaalsContact O-CE 3.3Å; K511-M516 WeakPolarHBondContact O-CE 3.2Å
512	L	86.7	Confident	85.8	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.11	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-76.7	140.7	169.1	-74	167.4	0	0	0	109.5	Q510 M516 Y582 F584	Q510-L512 PolarHBondContact O-N 3.27Å; L512-M516 HydrophobicContact CD2-SD 3.9Å; L512-Y582 HydrophobicContact CD1-CD1 3.96Å; L512-Y582 HydrophobicContact CD1-CD2 4.29Å; L512-Y582 HydrophobicContact CD1-CG 3.65Å; L512-F584 HydrophobicContact CB-CB 4.24Å; L512-F584 HydrophobicContact CB-CD1 3.74Å; L512-F584 HydrophobicContact CB-CD2 4.33Å; L512-F584 HydrophobicContact CB-CE1 4.13Å; L512-F584 HydrophobicContact CB-CG 3.85Å; L512-F584 HydrophobicContact CD1-CD1 4.05Å
513	E	89.2	Confident	86.1	Confident	76 Å²	76	63.8 Å²	63.8	36%	0.355	30%	0.304	S	S	.	.			trans	-130.4	149	178.2	-60.1	-164.7	154.8	0	0	110.2	K511 S515 M516	K511-E513 HydrophobicContact CG-CG 4.44Å; K511-E513 IonicContact NZ-OE1 2.86Å; K511-E513 PolarHBondContact NZ-OE1 2.96Å; E513-S515 PolarHBondContact O-N 3.31Å; E513-S515 VanDerWaalsContact O-N 3.16Å; E513-M516 HydrophobicContact CB-CE 4.28Å; E513-M516 HydrophobicContact CB-CG 4.48Å; E513-M516 HydrophobicContact CG-CE 4.34Å; E513-M516 WeakPolarHBondContact O-CB 3.44Å; E513-M516 WeakPolarHBondContact O-CG 3.31Å; E513-M516 PolarHBondContact O-N 3.09Å; E513-M516 VanDerWaalsContact O-N 3.12Å
514	P	90.3	Very high	86.5	Confident	44 Å²	44	62.2 Å²	62.2	29%	0.286	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-57.7	-30.8	179.1	-22.4	32.3	0	0	0	112.9	M516 F517 F584 F591	P514-M516 PolarHBondContact O-N 3.14Å; P514-M516 VanDerWaalsContact O-N 3.15Å; P514-F517 PolarHBondContact O-N 2.99Å; P514-F584 HydrophobicContact CG-CE2 4Å; P514-F591 HydrophobicContact CB-CE1 4.15Å; P514-F591 HydrophobicContact CB-CZ 4.14Å; P514-F591 HydrophobicContact CG-CD2 4.43Å; P514-F591 HydrophobicContact CG-CE1 3.88Å; P514-F591 HydrophobicContact CG-CE2 3.74Å; P514-F591 HydrophobicContact CG-CZ 3.42Å; P514-F591 VanDerWaalsContact CG-CZ 3.42Å
515	S	91.6	Very high	86.8	Confident	71 Å²	71	65.4 Å²	65.4	50%	0.497	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-61.5	-20	179.5	57.7	0	0	0	0	114.4	E513 F517 K537	E513-S515 PolarHBondContact O-N 3.31Å; E513-S515 VanDerWaalsContact O-N 3.16Å; S515-F517 PolarHBondContact O-N 3.32Å; S515-K537 WeakPolarHBondContact O-CE 3.4Å; S515-K537 PolarHBondContact O-NZ 3.24Å
516	M	91.9	Very high	86.5	Confident	55 Å²	55	65 Å²	65	27%	0.271	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-73.5	-13.4	175.3	-58.1	-179.2	-180	0	0	112.6	K511 L512 E513 P514 K537	K511-M516 VanDerWaalsContact O-CE 3.3Å; K511-M516 WeakPolarHBondContact O-CE 3.2Å; L512-M516 HydrophobicContact CD2-SD 3.9Å; E513-M516 HydrophobicContact CB-CE 4.28Å; E513-M516 HydrophobicContact CB-CG 4.48Å; E513-M516 HydrophobicContact CG-CE 4.34Å; E513-M516 WeakPolarHBondContact O-CB 3.44Å; E513-M516 WeakPolarHBondContact O-CG 3.31Å; E513-M516 PolarHBondContact O-N 3.09Å; E513-M516 VanDerWaalsContact O-N 3.12Å; P514-M516 PolarHBondContact O-N 3.14Å; P514-M516 VanDerWaalsContact O-N 3.15Å; M516-K537 PolarHBondContact O-N 3.29Å
517	F	95.6	Very high	86.3	Confident	13 Å²	13	63.8 Å²	63.8	6%	0.057	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.7	-179.8	-58.6	-90.3	0	0	0	109.4	P514 S515 V534 V535 K536 F543 Y582 F584 I593	P514-F517 PolarHBondContact O-N 2.99Å; S515-F517 PolarHBondContact O-N 3.32Å; F517-V534 HydrophobicContact CB-CB 4.19Å; F517-V534 HydrophobicContact CB-CG2 4.26Å; F517-V534 HydrophobicContact CD1-CG2 3.83Å; F517-V534 HydrophobicContact CG-CG2 4.39Å; F517-V535 CarbonylContact C-O 3.55Å; F517-V535 WeakPolarHBondContact CA-O 3.35Å; F517-K536 HydrophobicContact CD1-CB 3.92Å; F517-K536 HydrophobicContact CD1-CG 4Å; F517-K536 HydrophobicContact CE1-CB 3.84Å; F517-K536 HydrophobicContact CE1-CD 3.83Å; F517-K536 HydrophobicContact CE1-CG 3.65Å; F517-K536 HydrophobicContact CZ-CD 4.08Å; F517-K536 HydrophobicContact CZ-CG 4.13Å; F517-F543 HydrophobicContact CE1-CD2 4.27Å; F517-Y582 HydrophobicContact CZ-CD2 4.31Å; F517-F584 HydrophobicContact CD2-CZ 4.35Å; F517-F584 AromaticContact CE2-CE1 3.95Å; F517-F584 HydrophobicContact CE2-CE1 3.95Å; F517-F584 AromaticContact CE2-CZ 3.99Å; F517-F584 HydrophobicContact CE2-CZ 3.99Å; F517-I593 HydrophobicContact CD1-CD1 4.31Å; F517-I593 HydrophobicContact CD2-CD1 4.46Å; F517-I593 HydrophobicContact CE1-CD1 3.98Å; F517-I593 HydrophobicContact CE1-CG1 4.15Å; F517-I593 HydrophobicContact CE1-CG2 3.94Å; F517-I593 HydrophobicContact CE2-CD1 4.16Å; F517-I593 HydrophobicContact CE2-CG1 4.34Å; F517-I593 HydrophobicContact CZ-CD1 3.91Å; F517-I593 HydrophobicContact CZ-CG1 3.82Å; F517-I593 HydrophobicContact CZ-CG2 4.32Å
518	E	96	Very high	86.4	Confident	106 Å²	106	64.1 Å²	64.1	50%	0.495	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.6	171.1	-176.8	177	167.4	0	0	108.5	V534 V535 K537	E518-V534 CarbonylContact O-C 3.57Å; E518-V534 WeakPolarHBondContact O-CA 3.37Å; E518-V534 WeakPolarHBondContact O-CB 3.38Å; E518-V535 PolarHBondContact N-O 2.86Å; E518-V535 PolarHBondContact O-N 3.41Å; E518-K537 HydrophobicContact CB-CG 4.4Å
519	K	95.3	Very high	86.9	Confident	98 Å²	98	61.6 Å²	61.6	43%	0.426	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.6	177.7	-178.1	178.2	175.4	-178.6	0	109.5	T522 E530 A532	K519-T522 WeakPolarHBondContact CE-OG1 3.28Å; K519-T522 PolarHBondContact NZ-OG1 2.9Å; K519-E530 IonicContact NZ-OE1 3.54Å; K519-E530 PolarHBondContact NZ-OE1 3.09Å; K519-E530 IonicContact NZ-OE2 3.53Å; K519-E530 PolarHBondContact NZ-OE2 3.11Å; K519-A532 HydrophobicContact CD-CB 4.06Å; K519-A532 HydrophobicContact CG-CB 3.88Å
520	L	94.1	Very high	87.7	Confident	78 Å²	78	55.7 Å²	55.7	41%	0.408	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-53.9	176.2	-62.5	-171.5	0	0	0	111.7	L533 V535 L542 A838	L520-L533 HydrophobicContact CB-CD2 4.47Å; L520-L533 HydrophobicContact CB-CG 4.34Å; L520-L533 HydrophobicContact CD1-CD2 4.15Å; L520-L533 HydrophobicContact CD1-CG 4.21Å; L520-L533 PolarHBondContact N-O 3.24Å; L520-V535 HydrophobicContact CD1-CG2 3.54Å; L520-V535 HydrophobicContact CD2-CG2 4.18Å; L520-V535 HydrophobicContact CG-CG2 3.92Å; L520-L542 HydrophobicContact CD1-CD2 3.7Å; L520-A838 HydrophobicContact CD1-CB 4.26Å
521	K	93.3	Very high	88.5	Confident	75 Å²	75	55 Å²	55	33%	0.326	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	142.1	-175.7	-164.7	-172.5	-177.9	-174.3	0	111	A532 L533 T840	K521-A532 CarbonylContact O-C 3.56Å; K521-A532 VanDerWaalsContact O-CA 3.31Å; K521-A532 WeakPolarHBondContact O-CA 3.32Å; K521-L533 PolarHBondContact N-O 3.08Å; K521-L533 PolarHBondContact O-N 2.63Å; K521-T840 HydrophobicContact CD-CG2 3.97Å; K521-T840 WeakPolarHBondContact CD-OG1 3.49Å; K521-T840 PolarHBondContact NZ-OG1 2.89Å
522	T	92.9	Very high	89.1	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.055	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	124.2	166.7	-62.9	0	0	0	0	109.4	K519 G524 V525 E530 V846	K519-T522 WeakPolarHBondContact CE-OG1 3.28Å; K519-T522 PolarHBondContact NZ-OG1 2.9Å; T522-G524 WeakPolarHBondContact CG2-O 3.46Å; T522-V525 HydrophobicContact CG2-CG2 4.01Å; T522-E530 HydrophobicContact CG2-CB 4.15Å; T522-E530 PolarHBondContact OG1-OE2 3.16Å; T522-V846 HydrophobicContact CG2-CB 4.33Å; T522-V846 HydrophobicContact CG2-CG1 3.97Å; T522-V846 HydrophobicContact CG2-CG2 4.21Å
523	I	89.7	Confident	89.5	Confident	19 Å²	19	47.3 Å²	47.3	10%	0.097	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-13.3	-179.3	59.2	174.2	0	0	0	112.8	V531 L533 A544 Y596 T840 F843	I523-V531 HydrophobicContact CD1-CG1 3.92Å; I523-V531 HydrophobicContact CG1-CB 4.18Å; I523-V531 HydrophobicContact CG1-CG1 3.83Å; I523-V531 WeakPolarHBondContact CG1-O 3.39Å; I523-V531 PolarHBondContact N-O 3.01Å; I523-L533 HydrophobicContact CG2-CB 4.05Å; I523-A544 HydrophobicContact CD1-CB 4.22Å; I523-Y596 HydrophobicContact CD1-CD2 4.15Å; I523-Y596 HydrophobicContact CD1-CE2 4Å; I523-T840 HydrophobicContact CG2-CG2 3.65Å; I523-F843 HydrophobicContact CB-CD1 4.1Å; I523-F843 HydrophobicContact CB-CE1 4.36Å; I523-F843 HydrophobicContact CB-CG 4.23Å; I523-F843 HydrophobicContact CD1-CE1 4.37Å; I523-F843 HydrophobicContact CD1-CZ 4.38Å; I523-F843 HydrophobicContact CG2-CD2 4.49Å; I523-F843 HydrophobicContact CG2-CG 4.5Å
524	G	86.8	Confident	89.9	Confident	20 Å²	20	43.7 Å²	43.7	21%	0.206	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	154.1	174.9	0	0	0	0	0	112.3	T522 E530 V531	T522-G524 WeakPolarHBondContact CG2-O 3.46Å; G524-E530 WeakPolarHBondContact O-CA 3.39Å; G524-V531 PolarHBondContact N-O 2.8Å; G524-V531 PolarHBondContact O-N 3.1Å
525	V	84	Confident	90.2	Very high	82 Å²	82	42.8 Å²	42.8	50%	0.497	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.3	176.4	-177.4	0	0	0	0	108.4	T522 V846 L852	T522-V525 HydrophobicContact CG2-CG2 4.01Å; V525-V846 HydrophobicContact CG2-CG1 3.45Å; V525-V846 VanDerWaalsContact CG2-CG1 3.45Å; V525-V846 HydrophobicContact CG2-CG2 4.34Å; V525-L852 HydrophobicContact CG1-CD1 4.21Å
526	G	74.3	Confident	90.3	Very high	43 Å²	43	39.9 Å²	39.9	44%	0.443	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	176.9	178.6	0	0	0	0	0	112.3	F528 G529	G526-F528 PolarHBondContact O-N 3.02Å; G526-G529 PolarHBondContact N-O 3.23Å; G526-G529 PolarHBondContact O-N 3.19Å; G526-G529 VanDerWaalsContact O-O 3.06Å
527	A	73.6	Confident	90.3	Very high	68 Å²	68	42.3 Å²	42.3	56%	0.562	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.4	-179.3	0	0	0	0	0	114.3
528	F	78.8	Confident	89.9	Confident	45 Å²	45	45.7 Å²	45.7	20%	0.197	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	2.4	-174.9	-41.8	-82	0	0	0	113.8	G526 L548 R549 D552 V553 R556 Q558	G526-F528 PolarHBondContact O-N 3.02Å; F528-L548 HydrophobicContact CB-CB 4.5Å; F528-L548 HydrophobicContact CB-CD2 4Å; F528-R549 PolarHBondContact O-N 2.84Å; F528-D552 HydrophobicContact CD1-CB 4.35Å; F528-V553 HydrophobicContact CB-CG2 4.02Å; F528-V553 HydrophobicContact CD1-CG2 4.2Å; F528-V553 HydrophobicContact CG-CG2 4.13Å; F528-R556 HydrophobicContact CE1-CB 4.02Å; F528-R556 HydrophobicContact CE1-CG 4.32Å; F528-Q558 HydrophobicContact CE1-CB 4.24Å; F528-Q558 HydrophobicContact CE1-CG 3.75Å; F528-Q558 HydrophobicContact CZ-CB 4.19Å; F528-Q558 HydrophobicContact CZ-CG 3.62Å
529	G	86.2	Confident	89.5	Confident	6 Å²	6	43.2 Å²	43.2	6%	0.062	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-144	-177.5	0	0	0	0	0	113	G526 V547	G526-G529 PolarHBondContact N-O 3.23Å; G526-G529 PolarHBondContact O-N 3.19Å; G526-G529 VanDerWaalsContact O-O 3.06Å; G529-V547 VanDerWaalsContact CA-O 3.3Å; G529-V547 WeakPolarHBondContact CA-O 3.41Å
530	E	92.4	Very high	89.2	Confident	49 Å²	49	43.1 Å²	43.1	23%	0.229	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.5	-171.1	63.4	171.8	-176.1	0	0	112.4	K519 T522 G524 K546 V547	K519-E530 IonicContact NZ-OE1 3.54Å; K519-E530 PolarHBondContact NZ-OE1 3.09Å; K519-E530 IonicContact NZ-OE2 3.53Å; K519-E530 PolarHBondContact NZ-OE2 3.11Å; T522-E530 HydrophobicContact CG2-CB 4.15Å; T522-E530 PolarHBondContact OG1-OE2 3.16Å; G524-E530 WeakPolarHBondContact O-CA 3.39Å; E530-K546 WeakPolarHBondContact O-CA 3.02Å; E530-V547 PolarHBondContact N-O 2.94Å; E530-V547 VanDerWaalsContact N-O 3.15Å; E530-V547 PolarHBondContact O-N 2.77Å
531	V	93	Very high	89.1	Confident	34 Å²	34	40.3 Å²	40.3	21%	0.206	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.6	167.8	-171.5	0	0	0	0	107.3	I523 G524 A544 M545 K546	I523-V531 HydrophobicContact CD1-CG1 3.92Å; I523-V531 HydrophobicContact CG1-CB 4.18Å; I523-V531 HydrophobicContact CG1-CG1 3.83Å; I523-V531 WeakPolarHBondContact CG1-O 3.39Å; I523-V531 PolarHBondContact N-O 3.01Å; G524-V531 PolarHBondContact N-O 2.8Å; G524-V531 PolarHBondContact O-N 3.1Å; V531-A544 HydrophobicContact CG1-CB 4.26Å; V531-M545 CarbonylContact C-O 3.58Å; V531-M545 WeakPolarHBondContact CA-O 3.25Å; V531-K546 HydrophobicContact CG2-CB 4.11Å; V531-K546 HydrophobicContact CG2-CG 3.97Å
532	A	95.1	Very high	89.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.2	179.9	0	0	0	0	0	111.7	K519 K521 V534 M545	K519-A532 HydrophobicContact CD-CB 4.06Å; K519-A532 HydrophobicContact CG-CB 3.88Å; K521-A532 CarbonylContact O-C 3.56Å; K521-A532 VanDerWaalsContact O-CA 3.31Å; K521-A532 WeakPolarHBondContact O-CA 3.32Å; A532-V534 HydrophobicContact CB-CG1 4.37Å; A532-V534 PolarHBondContact O-N 2.96Å; A532-M545 PolarHBondContact N-O 3.48Å; A532-M545 PolarHBondContact O-N 3.18Å
533	L	96.3	Very high	89.3	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.7	163.8	-178.7	61.1	0	0	0	108.3	L520 K521 I523 L542 Y596 A838 T840	L520-L533 HydrophobicContact CB-CD2 4.47Å; L520-L533 HydrophobicContact CB-CG 4.34Å; L520-L533 HydrophobicContact CD1-CD2 4.15Å; L520-L533 HydrophobicContact CD1-CG 4.21Å; L520-L533 PolarHBondContact N-O 3.24Å; K521-L533 PolarHBondContact N-O 3.08Å; K521-L533 PolarHBondContact O-N 2.63Å; I523-L533 HydrophobicContact CG2-CB 4.05Å; L533-L542 HydrophobicContact CD1-CB 4.4Å; L533-L542 HydrophobicContact CD1-CD2 3.86Å; L533-L542 HydrophobicContact CD2-CD2 4.35Å; L533-L542 HydrophobicContact CG-CD2 4.12Å; L533-Y596 HydrophobicContact CD1-CD1 3.75Å; L533-Y596 HydrophobicContact CD1-CD2 3.7Å; L533-Y596 HydrophobicContact CD1-CE1 4.03Å; L533-Y596 HydrophobicContact CD1-CE2 3.99Å; L533-Y596 HydrophobicContact CD1-CG 3.57Å; L533-Y596 HydrophobicContact CD2-CE1 4.4Å; L533-A838 HydrophobicContact CD2-CB 4.05Å; L533-T840 HydrophobicContact CD2-CG2 3.68Å
534	V	96.6	Very high	89.6	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.4	-179.6	-56.4	0	0	0	0	111.5	F517 E518 A532 L542 F543 M545	F517-V534 HydrophobicContact CB-CB 4.19Å; F517-V534 HydrophobicContact CB-CG2 4.26Å; F517-V534 HydrophobicContact CD1-CG2 3.83Å; F517-V534 HydrophobicContact CG-CG2 4.39Å; E518-V534 CarbonylContact O-C 3.57Å; E518-V534 WeakPolarHBondContact O-CA 3.37Å; E518-V534 WeakPolarHBondContact O-CB 3.38Å; A532-V534 HydrophobicContact CB-CG1 4.37Å; A532-V534 PolarHBondContact O-N 2.96Å; V534-L542 CarbonylContact O-C 3.57Å; V534-L542 WeakPolarHBondContact O-CA 3.32Å; V534-F543 HydrophobicContact CG2-CB 3.9Å; V534-F543 PolarHBondContact N-O 2.63Å; V534-F543 PolarHBondContact O-N 2.85Å; V534-M545 HydrophobicContact CB-CB 4.39Å; V534-M545 HydrophobicContact CG1-CB 3.6Å; V534-M545 HydrophobicContact CG1-CE 3.69Å; V534-M545 HydrophobicContact CG1-CG 4.45Å; V534-M545 HydrophobicContact CG1-SD 4.14Å; V534-M545 HydrophobicContact CG2-CB 3.79Å
535	V	95.9	Very high	90	Very high	26 Å²	26	37.8 Å²	37.8	16%	0.158	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.7	168.2	175.1	0	0	0	0	108.8	F517 E518 L520 S541 L542	F517-V535 CarbonylContact C-O 3.55Å; F517-V535 WeakPolarHBondContact CA-O 3.35Å; E518-V535 PolarHBondContact N-O 2.86Å; E518-V535 PolarHBondContact O-N 3.41Å; L520-V535 HydrophobicContact CD1-CG2 3.54Å; L520-V535 HydrophobicContact CD2-CG2 4.18Å; L520-V535 HydrophobicContact CG-CG2 3.92Å; V535-S541 WeakPolarHBondContact CA-O 3.26Å; V535-L542 HydrophobicContact CG2-CD2 3.41Å; V535-L542 VanDerWaalsContact CG2-CD2 3.41Å; V535-L542 HydrophobicContact CG2-CG 4.23Å
536	K	93.7	Very high	90.4	Very high	10 Å²	10	35.1 Å²	35.1	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.9	171.1	-163.2	179	168	-91.7	0	109.3	F517 D538 T539 S540 S541 F543 Y582	F517-K536 HydrophobicContact CD1-CB 3.92Å; F517-K536 HydrophobicContact CD1-CG 4Å; F517-K536 HydrophobicContact CE1-CB 3.84Å; F517-K536 HydrophobicContact CE1-CD 3.83Å; F517-K536 HydrophobicContact CE1-CG 3.65Å; F517-K536 HydrophobicContact CZ-CD 4.08Å; F517-K536 HydrophobicContact CZ-CG 4.13Å; K536-D538 WeakPolarHBondContact CE-OD1 3.48Å; K536-D538 VanDerWaalsContact CG-OD1 3.29Å; K536-D538 WeakPolarHBondContact CG-OD1 3.38Å; K536-D538 IonicContact NZ-OD1 3.26Å; K536-D538 PolarHBondContact NZ-OD1 3.2Å; K536-D538 IonicContact NZ-OD2 2.62Å; K536-D538 PolarHBondContact NZ-OD2 2.97Å; K536-D538 PolarHBondContact O-N 3.06Å; K536-T539 PolarHBondContact O-N 2.86Å; K536-S540 VanDerWaalsContact O-CA 3.28Å; K536-S540 WeakPolarHBondContact O-CA 3.43Å; K536-S540 PolarHBondContact O-N 3.02Å; K536-S541 PolarHBondContact N-O 3.39Å; K536-F543 HydrophobicContact CB-CD2 4.09Å; K536-F543 HydrophobicContact CB-CE2 3.75Å; K536-F543 HydrophobicContact CD-CE2 4.16Å; K536-Y582 HydrophobicContact CD-CE2 4.46Å
537	K	92.2	Very high	91.4	Very high	106 Å²	106	33.9 Å²	33.9	46%	0.461	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-35.3	-165.2	-69.8	176.8	178.4	169.3	0	115.2	S515 M516 E518	S515-K537 WeakPolarHBondContact O-CE 3.4Å; S515-K537 PolarHBondContact O-NZ 3.24Å; M516-K537 PolarHBondContact O-N 3.29Å; E518-K537 HydrophobicContact CB-CG 4.4Å
538	D	87.3	Confident	92.3	Very high	84 Å²	84	31 Å²	31	45%	0.449	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-34.6	-178	60.8	-17.4	0	0	0	113	K536	K536-D538 WeakPolarHBondContact CE-OD1 3.48Å; K536-D538 VanDerWaalsContact CG-OD1 3.29Å; K536-D538 WeakPolarHBondContact CG-OD1 3.38Å; K536-D538 IonicContact NZ-OD1 3.26Å; K536-D538 PolarHBondContact NZ-OD1 3.2Å; K536-D538 IonicContact NZ-OD2 2.62Å; K536-D538 PolarHBondContact NZ-OD2 2.97Å; K536-D538 PolarHBondContact O-N 3.06Å
539	T	87.7	Confident	92.8	Very high	54 Å²	54	31.4 Å²	31.4	33%	0.331	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-6.6	-178	64.8	0	0	0	0	113.7	K536 S541	K536-T539 PolarHBondContact O-N 2.86Å; T539-S541 VanDerWaalsContact CB-OG 3.31Å; T539-S541 WeakPolarHBondContact CB-OG 3.29Å; T539-S541 PolarHBondContact O-N 3.4Å; T539-S541 VanDerWaalsContact O-N 3.11Å; T539-S541 PolarHBondContact O-OG 3.19Å; T539-S541 VanDerWaalsContact O-OG 3.13Å; T539-S541 WeakPolarHBondContact OG1-CB 3.47Å; T539-S541 PolarHBondContact OG1-OG 2.85Å
540	S	89.9	Confident	93	Very high	95 Å²	95	31.8 Å²	31.8	66%	0.664	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	30.7	-173.1	-57.3	0	0	0	0	113.4	K536	K536-S540 VanDerWaalsContact O-CA 3.28Å; K536-S540 WeakPolarHBondContact O-CA 3.43Å; K536-S540 PolarHBondContact O-N 3.02Å
541	S	91.1	Very high	92.7	Very high	19 Å²	19	33.7 Å²	33.7	13%	0.133	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	139	-175.5	-46.1	0	0	0	0	111.1	V535 K536 T539 F543 N880	V535-S541 WeakPolarHBondContact CA-O 3.26Å; K536-S541 PolarHBondContact N-O 3.39Å; T539-S541 VanDerWaalsContact CB-OG 3.31Å; T539-S541 WeakPolarHBondContact CB-OG 3.29Å; T539-S541 PolarHBondContact O-N 3.4Å; T539-S541 VanDerWaalsContact O-N 3.11Å; T539-S541 PolarHBondContact O-OG 3.19Å; T539-S541 VanDerWaalsContact O-OG 3.13Å; T539-S541 WeakPolarHBondContact OG1-CB 3.47Å; T539-S541 PolarHBondContact OG1-OG 2.85Å; S541-F543 VanDerWaalsContact O-CD2 3.31Å; S541-F543 WeakPolarHBondContact O-CD2 3.31Å; S541-F543 WeakPolarHBondContact O-CE2 3.41Å; S541-N880 WeakPolarHBondContact CB-ND2 3.12Å; S541-N880 PolarHBondContact OG-ND2 2.92Å
542	L	94.5	Very high	92.3	Very high	42 Å²	42	33.5 Å²	33.5	22%	0.22	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	140.3	179.5	-71.5	162.9	0	0	0	112	L520 L533 V534 V535 E837 A838	L520-L542 HydrophobicContact CD1-CD2 3.7Å; L533-L542 HydrophobicContact CD1-CB 4.4Å; L533-L542 HydrophobicContact CD1-CD2 3.86Å; L533-L542 HydrophobicContact CD2-CD2 4.35Å; L533-L542 HydrophobicContact CG-CD2 4.12Å; V534-L542 CarbonylContact O-C 3.57Å; V534-L542 WeakPolarHBondContact O-CA 3.32Å; V535-L542 HydrophobicContact CG2-CD2 3.41Å; V535-L542 VanDerWaalsContact CG2-CD2 3.41Å; V535-L542 HydrophobicContact CG2-CG 4.23Å; L542-E837 HydrophobicContact CD1-CB 3.72Å; L542-E837 WeakPolarHBondContact CD1-O 3.39Å; L542-A838 HydrophobicContact CD1-CB 4Å; L542-A838 HydrophobicContact CD2-CB 4.12Å
543	F	96	Very high	91.9	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.4	176.3	-60.5	-77.8	0	0	0	111	F517 V534 K536 S541 Y581 Y582 I593 M594	F517-F543 HydrophobicContact CE1-CD2 4.27Å; V534-F543 HydrophobicContact CG2-CB 3.9Å; V534-F543 PolarHBondContact N-O 2.63Å; V534-F543 PolarHBondContact O-N 2.85Å; K536-F543 HydrophobicContact CB-CD2 4.09Å; K536-F543 HydrophobicContact CB-CE2 3.75Å; K536-F543 HydrophobicContact CD-CE2 4.16Å; S541-F543 VanDerWaalsContact O-CD2 3.31Å; S541-F543 WeakPolarHBondContact O-CD2 3.31Å; S541-F543 WeakPolarHBondContact O-CE2 3.41Å; F543-Y581 AromaticContact CD1-CD2 3.68Å; F543-Y581 HydrophobicContact CD1-CD2 3.68Å; F543-Y581 AromaticContact CD1-CE2 3.96Å; F543-Y581 HydrophobicContact CD1-CE2 3.96Å; F543-Y581 HydrophobicContact CD1-CG 4.33Å; F543-Y581 HydrophobicContact CE1-CD1 4.31Å; F543-Y581 AromaticContact CE1-CD2 3.56Å; F543-Y581 HydrophobicContact CE1-CD2 3.56Å; F543-Y581 AromaticContact CE1-CE2 3.78Å; F543-Y581 HydrophobicContact CE1-CE2 3.78Å; F543-Y581 AromaticContact CE1-CG 3.84Å; F543-Y581 HydrophobicContact CE1-CG 3.84Å; F543-Y582 HydrophobicContact CZ-CE2 4.42Å; F543-I593 HydrophobicContact CB-CG2 3.57Å; F543-I593 HydrophobicContact CD1-CG2 3.73Å; F543-I593 HydrophobicContact CD2-CG2 4.07Å; F543-I593 HydrophobicContact CE1-CG2 4.44Å; F543-I593 HydrophobicContact CG-CG2 3.51Å; F543-M594 WeakPolarHBondContact CA-O 3.23Å; F543-M594 WeakPolarHBondContact CB-O 3.45Å
544	A	95.7	Very high	91.3	Very high	8 Å²	8	35.2 Å²	35.2	7%	0.066	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.2	162.9	0	0	0	0	0	109.1	I523 V531 M594	I523-A544 HydrophobicContact CD1-CB 4.22Å; V531-A544 HydrophobicContact CG1-CB 4.26Å; A544-M594 HydrophobicContact CB-CB 4.47Å; A544-M594 HydrophobicContact CB-CE 4.49Å; A544-M594 PolarHBondContact N-O 3.46Å; A544-M594 PolarHBondContact O-N 2.87Å
545	M	95.5	Very high	90.5	Very high	17 Å²	17	39.3 Å²	39.3	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	110.7	177.1	-179.5	172.7	75.2	0	0	110.3	V531 A532 V534 V547 F591 F592 I593	V531-M545 CarbonylContact C-O 3.58Å; V531-M545 WeakPolarHBondContact CA-O 3.25Å; A532-M545 PolarHBondContact N-O 3.48Å; A532-M545 PolarHBondContact O-N 3.18Å; V534-M545 HydrophobicContact CB-CB 4.39Å; V534-M545 HydrophobicContact CG1-CB 3.6Å; V534-M545 HydrophobicContact CG1-CE 3.69Å; V534-M545 HydrophobicContact CG1-CG 4.45Å; V534-M545 HydrophobicContact CG1-SD 4.14Å; V534-M545 HydrophobicContact CG2-CB 3.79Å; M545-V547 HydrophobicContact CE-CG2 3.78Å; M545-V547 HydrophobicContact CG-CG2 3.95Å; M545-V547 HydrophobicContact SD-CG2 4.3Å; M545-F591 HydrophobicContact CG-CD1 4.36Å; M545-F591 HydrophobicContact SD-CD1 3.97Å; M545-F592 CarbonylContact C-O 3.58Å; M545-F592 VanDerWaalsContact CA-O 3.27Å; M545-F592 WeakPolarHBondContact CA-O 3.45Å; M545-I593 HydrophobicContact CB-CD1 3.96Å; M545-I593 HydrophobicContact CG-CD1 3.68Å; M545-I593 HydrophobicContact SD-CD1 4Å
546	K	93.6	Very high	89.8	Confident	25 Å²	25	44.8 Å²	44.8	11%	0.109	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.7	169.4	-173.3	179.7	-158.5	-172.4	0	108.7	E530 V531 L548 E565 F591 F592 M594 D658	E530-K546 WeakPolarHBondContact O-CA 3.02Å; V531-K546 HydrophobicContact CG2-CB 4.11Å; V531-K546 HydrophobicContact CG2-CG 3.97Å; K546-L548 HydrophobicContact CD-CD2 4.39Å; K546-L548 HydrophobicContact CG-CD2 4.11Å; K546-L548 HydrophobicContact CG-CG 4.44Å; K546-E565 IonicContact NZ-OE1 3.16Å; K546-E565 PolarHBondContact NZ-OE1 2.68Å; K546-E565 IonicContact NZ-OE2 3.89Å; K546-E565 PolarHBondContact NZ-OE2 2.91Å; K546-F591 WeakPolarHBondContact O-CA 3.1Å; K546-F592 HydrophobicContact CB-CB 4.17Å; K546-F592 HydrophobicContact CB-CD2 4.38Å; K546-F592 HydrophobicContact CD-CD2 4.46Å; K546-F592 PolarHBondContact N-O 3.19Å; K546-F592 PolarHBondContact O-N 3.26Å; K546-M594 HydrophobicContact CB-CE 3.68Å; K546-D658 IonicContact NZ-OD1 2.96Å; K546-D658 PolarHBondContact NZ-OD1 2.99Å
547	V	94.2	Very high	89	Confident	17 Å²	17	45.6 Å²	45.6	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.2	178	-172.5	0	0	0	0	108.4	G529 E530 M545 N589 L590 F591	G529-V547 VanDerWaalsContact CA-O 3.3Å; G529-V547 WeakPolarHBondContact CA-O 3.41Å; E530-V547 PolarHBondContact N-O 2.94Å; E530-V547 VanDerWaalsContact N-O 3.15Å; E530-V547 PolarHBondContact O-N 2.77Å; M545-V547 HydrophobicContact CE-CG2 3.78Å; M545-V547 HydrophobicContact CG-CG2 3.95Å; M545-V547 HydrophobicContact SD-CG2 4.3Å; V547-N589 HydrophobicContact CG1-CB 3.93Å; V547-L590 WeakPolarHBondContact CA-O 3.28Å; V547-F591 HydrophobicContact CB-CD1 4.5Å; V547-F591 HydrophobicContact CB-CE1 4.46Å; V547-F591 HydrophobicContact CG1-CD1 4.23Å; V547-F591 HydrophobicContact CG1-CE1 3.81Å; V547-F591 HydrophobicContact CG1-CZ 4.4Å; V547-F591 HydrophobicContact CG2-CD1 3.89Å; V547-F591 HydrophobicContact CG2-CE1 3.94Å
548	L	91.8	Very high	88.6	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.8	175.2	-52.3	175.6	0	0	0	109.9	F528 K546 K550 V553 V562 N589 L590 F592	F528-L548 HydrophobicContact CB-CB 4.5Å; F528-L548 HydrophobicContact CB-CD2 4Å; K546-L548 HydrophobicContact CD-CD2 4.39Å; K546-L548 HydrophobicContact CG-CD2 4.11Å; K546-L548 HydrophobicContact CG-CG 4.44Å; L548-K550 PolarHBondContact O-N 2.9Å; L548-V553 HydrophobicContact CB-CG2 4.02Å; L548-V562 HydrophobicContact CD1-CB 4.47Å; L548-V562 HydrophobicContact CD1-CG1 3.84Å; L548-V562 HydrophobicContact CD1-CG2 3.76Å; L548-N589 CarbonylContact O-C 3.58Å; L548-N589 VanDerWaalsContact O-CA 3.23Å; L548-N589 WeakPolarHBondContact O-CA 3.47Å; L548-L590 HydrophobicContact CB-CB 4.31Å; L548-L590 PolarHBondContact N-O 3.02Å; L548-L590 PolarHBondContact O-N 2.91Å; L548-F592 HydrophobicContact CD1-CD2 4.47Å; L548-F592 HydrophobicContact CD1-CE2 3.7Å; L548-F592 HydrophobicContact CG-CE2 4.4Å
549	R	90.9	Very high	88.4	Confident	55 Å²	55	38.5 Å²	38.5	21%	0.208	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.1	176.4	-68.6	165.9	175.8	-168.1	-3.3	110.1	F528 R551 D552 V553 N589 L852	F528-R549 PolarHBondContact O-N 2.84Å; R549-R551 HydrophobicContact CB-CG 4.3Å; R549-R551 PolarHBondContact O-N 2.95Å; R549-D552 HydrophobicContact CB-CB 4.16Å; R549-D552 WeakPolarHBondContact CB-OD2 3.41Å; R549-D552 WeakPolarHBondContact CD-OD2 3.4Å; R549-D552 IonicContact NH1-OD2 3.43Å; R549-D552 PolarHBondContact O-N 3.09Å; R549-V553 WeakPolarHBondContact O-CG2 3.46Å; R549-V553 PolarHBondContact O-N 3.06Å; R549-N589 WeakPolarHBondContact CG-OD1 3.42Å; R549-L852 VanDerWaalsContact CZ-O 3.25Å; R549-L852 PolarHBondContact NH1-O 3.49Å; R549-L852 PolarHBondContact NH2-O 3.06Å
550	K	89.2	Confident	87.9	Confident	13 Å²	13	36 Å²	36	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-54.4	-42.9	-179	-73	179.1	168.9	-173.6	0	112.1	L548 D552 V553 I554 D586 D588 L590 D865 F868	L548-K550 PolarHBondContact O-N 2.9Å; K550-D552 VanDerWaalsContact C-N 3.29Å; K550-D552 PolarHBondContact O-N 3.18Å; K550-V553 PolarHBondContact O-N 3.34Å; K550-I554 WeakPolarHBondContact O-CB 3.4Å; K550-I554 VanDerWaalsContact O-CG1 3.31Å; K550-I554 WeakPolarHBondContact O-CG1 3.4Å; K550-I554 PolarHBondContact O-N 2.87Å; K550-D586 VanDerWaalsContact CE-O 3.3Å; K550-D586 WeakPolarHBondContact CE-O 3.36Å; K550-D586 PolarHBondContact NZ-O 2.94Å; K550-D588 WeakPolarHBondContact CB-O 3.42Å; K550-D588 PolarHBondContact N-O 2.8Å; K550-L590 HydrophobicContact CD-CD2 4.49Å; K550-L590 HydrophobicContact CG-CD2 4.04Å; K550-L590 HydrophobicContact CG-CG 4Å; K550-D865 IonicContact NZ-OD1 2.68Å; K550-D865 PolarHBondContact NZ-OD1 3.3Å; K550-F868 HydrophobicContact CB-CE2 4.29Å; K550-F868 HydrophobicContact CD-CD2 4.4Å; K550-F868 HydrophobicContact CG-CD2 4.14Å; K550-F868 HydrophobicContact CG-CE2 4.1Å
551	R	86.3	Confident	87.5	Confident	89 Å²	89	32.9 Å²	32.9	34%	0.336	16%	0.16	S	C	.	.	H	α-helix	trans	-58.3	-40.8	179	67	178.3	-171.7	-166.9	-2.1	112.5	R549 S555 S855 M863	R549-R551 HydrophobicContact CB-CG 4.3Å; R549-R551 PolarHBondContact O-N 2.95Å; R551-S555 WeakPolarHBondContact O-CB 3.19Å; R551-S555 PolarHBondContact O-N 3.24Å; R551-S555 PolarHBondContact O-OG 2.99Å; R551-S855 VanDerWaalsContact CZ-CB 3.47Å; R551-S855 PolarHBondContact NH1-O 2.74Å; R551-S855 PolarHBondContact NH2-OG 3.49Å; R551-M863 HydrophobicContact CB-CE 4.5Å; R551-M863 HydrophobicContact CB-SD 4.06Å
552	D	85.6	Confident	87.3	Confident	30 Å²	30	32.2 Å²	32.2	16%	0.16	16%	0.155	C	C	.	.	H	α-helix	trans	-77.4	-38.3	-175.9	-62.3	-24.4	0	0	0	109.9	F528 R549 K550 S555 R556	F528-D552 HydrophobicContact CD1-CB 4.35Å; R549-D552 HydrophobicContact CB-CB 4.16Å; R549-D552 WeakPolarHBondContact CB-OD2 3.41Å; R549-D552 WeakPolarHBondContact CD-OD2 3.4Å; R549-D552 IonicContact NH1-OD2 3.43Å; R549-D552 PolarHBondContact O-N 3.09Å; K550-D552 VanDerWaalsContact C-N 3.29Å; K550-D552 PolarHBondContact O-N 3.18Å; D552-S555 WeakPolarHBondContact CA-OG 3.32Å; D552-S555 PolarHBondContact O-OG 2.75Å; D552-R556 WeakPolarHBondContact O-CB 3.42Å; D552-R556 WeakPolarHBondContact O-CG 3.32Å; D552-R556 PolarHBondContact O-N 3.23Å
553	V	85.9	Confident	86.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.4	-47.5	175	177.1	0	0	0	0	111.6	F528 L548 R549 K550 N557 Q558 V562 F868	F528-V553 HydrophobicContact CB-CG2 4.02Å; F528-V553 HydrophobicContact CD1-CG2 4.2Å; F528-V553 HydrophobicContact CG-CG2 4.13Å; L548-V553 HydrophobicContact CB-CG2 4.02Å; R549-V553 WeakPolarHBondContact O-CG2 3.46Å; R549-V553 PolarHBondContact O-N 3.06Å; K550-V553 PolarHBondContact O-N 3.34Å; V553-N557 PolarHBondContact O-N 3.46Å; V553-Q558 HydrophobicContact CG1-CB 4.04Å; V553-Q558 PolarHBondContact O-N 3.32Å; V553-V562 HydrophobicContact CG1-CB 4.32Å; V553-V562 HydrophobicContact CG1-CG2 3.61Å; V553-V562 HydrophobicContact CG2-CG2 4.14Å; V553-F868 HydrophobicContact CB-CZ 4.15Å; V553-F868 HydrophobicContact CG1-CE1 4.08Å; V553-F868 HydrophobicContact CG1-CZ 3.6Å
554	I	83.3	Confident	86	Confident	38 Å²	38	30.4 Å²	30.4	20%	0.195	15%	0.146	C	C	.	.	H	α-helix	trans	-70.6	-45.1	-178.5	-65.8	166.2	0	0	0	110.7	K550 R556 N557 M863 F868	K550-I554 WeakPolarHBondContact O-CB 3.4Å; K550-I554 VanDerWaalsContact O-CG1 3.31Å; K550-I554 WeakPolarHBondContact O-CG1 3.4Å; K550-I554 PolarHBondContact O-N 2.87Å; I554-R556 PolarHBondContact O-N 2.82Å; I554-N557 PolarHBondContact O-N 3.07Å; I554-M863 HydrophobicContact CB-CE 3.44Å; I554-M863 VanDerWaalsContact CB-CE 3.44Å; I554-M863 HydrophobicContact CD1-CB 4.25Å; I554-M863 HydrophobicContact CD1-CE 3.9Å; I554-M863 HydrophobicContact CG1-CE 4.26Å; I554-M863 HydrophobicContact CG2-CE 3.41Å; I554-M863 VanDerWaalsContact CG2-CE 3.41Å; I554-F868 HydrophobicContact CD1-CE2 3.78Å; I554-F868 HydrophobicContact CG1-CE2 3.7Å; I554-F868 HydrophobicContact CG1-CZ 4.03Å
555	S	81.1	Confident	85.5	Confident	86 Å²	86	30.2 Å²	30.2	60%	0.601	14%	0.143	S	C	*	.	H	α-helix	trans	-61.3	-30.9	-178.9	58	0	0	0	0	113	R551 D552 N557	R551-S555 WeakPolarHBondContact O-CB 3.19Å; R551-S555 PolarHBondContact O-N 3.24Å; R551-S555 PolarHBondContact O-OG 2.99Å; D552-S555 WeakPolarHBondContact CA-OG 3.32Å; D552-S555 PolarHBondContact O-OG 2.75Å; S555-N557 VanDerWaalsContact C-N 3.34Å
556	R	80.3	Confident	85.2	Confident	141 Å²	141	30.4 Å²	30.4	53%	0.532	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	7.2	175.5	-64.7	171.1	179	-119.1	11.4	113.7	F528 D552 I554 Q558	F528-R556 HydrophobicContact CE1-CB 4.02Å; F528-R556 HydrophobicContact CE1-CG 4.32Å; D552-R556 WeakPolarHBondContact O-CB 3.42Å; D552-R556 WeakPolarHBondContact O-CG 3.32Å; D552-R556 PolarHBondContact O-N 3.23Å; I554-R556 PolarHBondContact O-N 2.82Å; R556-Q558 VanDerWaalsContact C-N 3.34Å; R556-Q558 HydrophobicContact CB-CG 3.95Å; R556-Q558 WeakPolarHBondContact O-CG 3.49Å; R556-Q558 PolarHBondContact O-N 3.02Å; R556-Q558 PolarHBondContact O-NE2 3.04Å; R556-Q558 VanDerWaalsContact O-NE2 3.16Å
557	N	77.7	Confident	84.8	Confident	27 Å²	27	29.7 Å²	29.7	14%	0.144	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	43.9	-179.8	-158.8	0.4	0	0	0	113.7	V553 I554 S555 R671	V553-N557 PolarHBondContact O-N 3.46Å; I554-N557 PolarHBondContact O-N 3.07Å; S555-N557 VanDerWaalsContact C-N 3.34Å; N557-R671 PolarHBondContact ND2-NE 3.49Å; N557-R671 PolarHBondContact ND2-NH2 2.97Å
558	Q	82.9	Confident	84.3	Confident	37 Å²	37	28.9 Å²	28.9	17%	0.173	14%	0.135	C	C	.	.			trans	-105.7	9.3	-176.6	-60.8	-63.4	-42.8	0	0	113.5	F528 V553 R556 A560 H561 V562	F528-Q558 HydrophobicContact CE1-CB 4.24Å; F528-Q558 HydrophobicContact CE1-CG 3.75Å; F528-Q558 HydrophobicContact CZ-CB 4.19Å; F528-Q558 HydrophobicContact CZ-CG 3.62Å; V553-Q558 HydrophobicContact CG1-CB 4.04Å; V553-Q558 PolarHBondContact O-N 3.32Å; R556-Q558 VanDerWaalsContact C-N 3.34Å; R556-Q558 HydrophobicContact CB-CG 3.95Å; R556-Q558 WeakPolarHBondContact O-CG 3.49Å; R556-Q558 PolarHBondContact O-N 3.02Å; R556-Q558 PolarHBondContact O-NE2 3.04Å; R556-Q558 VanDerWaalsContact O-NE2 3.16Å; Q558-A560 VanDerWaalsContact C-N 3.3Å; Q558-A560 PolarHBondContact O-N 2.88Å; Q558-H561 PolarHBondContact O-N 2.97Å; Q558-H561 VanDerWaalsContact O-N 3.16Å; Q558-H561 PolarHBondContact OE1-ND1 3.47Å; Q558-V562 PolarHBondContact O-N 2.81Å
559	A	82.3	Confident	84.1	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-60	-38.8	-176.6	0	0	0	0	0	113	H561 K563 Y674 A867 F868	A559-H561 VanDerWaalsContact C-N 3.35Å; A559-H561 PolarHBondContact O-N 3.23Å; A559-K563 PolarHBondContact O-N 3.1Å; A559-K563 VanDerWaalsContact O-N 3.15Å; A559-Y674 HydrophobicContact CB-CD1 4.07Å; A559-Y674 HydrophobicContact CB-CG 4.3Å; A559-A867 HydrophobicContact CB-CB 4.13Å; A559-F868 HydrophobicContact CB-CE1 3.94Å; A559-F868 HydrophobicContact CB-CZ 3.96Å
560	A	78	Confident	83.9	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-42.7	176.6	0	0	0	0	0	112.1	Q558 K563 A564 Y674	Q558-A560 VanDerWaalsContact C-N 3.3Å; Q558-A560 PolarHBondContact O-N 2.88Å; A560-K563 WeakPolarHBondContact O-CB 3.45Å; A560-K563 PolarHBondContact O-N 3.17Å; A560-A564 PolarHBondContact O-N 2.74Å; A560-Y674 HydrophobicContact CB-CD2 3.64Å; A560-Y674 HydrophobicContact CB-CE2 3.56Å
561	H	80.9	Confident	83.7	Confident	30 Å²	30	29 Å²	29	14%	0.139	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-41.1	-179.5	-64.5	128.7	0	0	0	112.7	Q558 A559 K563 A564 E565 R639 G660	Q558-H561 PolarHBondContact O-N 2.97Å; Q558-H561 VanDerWaalsContact O-N 3.16Å; Q558-H561 PolarHBondContact OE1-ND1 3.47Å; A559-H561 VanDerWaalsContact C-N 3.35Å; A559-H561 PolarHBondContact O-N 3.23Å; H561-K563 PolarHBondContact O-N 3.34Å; H561-A564 WeakPolarHBondContact O-CB 3.28Å; H561-A564 PolarHBondContact O-N 3Å; H561-A564 VanDerWaalsContact O-N 3.08Å; H561-E565 PolarHBondContact O-N 2.97Å; H561-R639 PolarHBondContact CD2-NH2 2.92Å; H561-R639 PolarHBondContact NE2-NH2 3.27Å; H561-G660 WeakPolarHBondContact CB-O 3.42Å
562	V	86.7	Confident	83.6	Confident	6 Å²	6	25 Å²	25	4%	0.036	13%	0.126	C	C	.	.	H	α-helix	trans	-62	-33.6	175	173.1	0	0	0	0	111.6	L548 V553 Q558 R566 L590 F592 F868 F871	L548-V562 HydrophobicContact CD1-CB 4.47Å; L548-V562 HydrophobicContact CD1-CG1 3.84Å; L548-V562 HydrophobicContact CD1-CG2 3.76Å; V553-V562 HydrophobicContact CG1-CB 4.32Å; V553-V562 HydrophobicContact CG1-CG2 3.61Å; V553-V562 HydrophobicContact CG2-CG2 4.14Å; Q558-V562 PolarHBondContact O-N 2.81Å; V562-R566 PolarHBondContact O-N 3.46Å; V562-R566 VanDerWaalsContact O-N 3.09Å; V562-L590 HydrophobicContact CG1-CD1 3.67Å; V562-F592 HydrophobicContact CG1-CE2 4.23Å; V562-F592 HydrophobicContact CG1-CZ 3.99Å; V562-F868 HydrophobicContact CB-CE1 4.41Å; V562-F868 HydrophobicContact CG1-CE1 4.32Å; V562-F871 HydrophobicContact CG1-CE2 3.96Å
563	K	82.4	Confident	83.5	Confident	8 Å²	8	28.8 Å²	28.8	4%	0.035	15%	0.147	C	C	.	.	H	α-helix	trans	-69.3	-42.2	170.8	-91.8	175.8	166.6	171.4	0	112.9	A559 A560 H561 E565 R566 D567 Y674 A867	A559-K563 PolarHBondContact O-N 3.1Å; A559-K563 VanDerWaalsContact O-N 3.15Å; A560-K563 WeakPolarHBondContact O-CB 3.45Å; A560-K563 PolarHBondContact O-N 3.17Å; H561-K563 PolarHBondContact O-N 3.34Å; K563-E565 VanDerWaalsContact C-N 3.32Å; K563-E565 PolarHBondContact O-N 3.39Å; K563-R566 PolarHBondContact O-N 3.32Å; K563-D567 WeakPolarHBondContact O-CB 3.22Å; K563-D567 PolarHBondContact O-N 2.72Å; K563-Y674 HydrophobicContact CD-CE1 4.21Å; K563-Y674 WeakPolarHBondContact CD-OH 3.43Å; K563-Y674 PolarHBondContact NZ-OH 3.46Å; K563-A867 WeakPolarHBondContact CE-O 3.12Å; K563-A867 PolarHBondContact NZ-O 3.09Å
564	A	81.5	Confident	83.6	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-46.3	174.5	0	0	0	0	0	111.4	A560 H561 R566 D567 I568 C662 H669	A560-A564 PolarHBondContact O-N 2.74Å; H561-A564 WeakPolarHBondContact O-CB 3.28Å; H561-A564 PolarHBondContact O-N 3Å; H561-A564 VanDerWaalsContact O-N 3.08Å; A564-R566 PolarHBondContact O-N 2.86Å; A564-D567 PolarHBondContact O-N 2.68Å; A564-I568 WeakPolarHBondContact O-CG2 3.4Å; A564-I568 PolarHBondContact O-N 3.23Å; A564-C662 WeakPolarHBondContact CB-O 3.31Å; A564-H669 VanDerWaalsContact CA-CD2 3.42Å; A564-H669 WeakPolarHBondContact CA-CD2 3.29Å; A564-H669 WeakPolarHBondContact CA-NE2 3.37Å; A564-H669 HydrophobicContact CB-CB 4.34Å; A564-H669 VanDerWaalsContact CB-CD2 3.47Å; A564-H669 WeakPolarHBondContact CB-CD2 3.23Å
565	E	86.2	Confident	84	Confident	3 Å²	3	34.5 Å²	34.5	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-56.7	-48.3	175	175.5	170.2	-161.1	0	0	111.6	K546 H561 K563 D567 I568 L569 F592 F659	K546-E565 IonicContact NZ-OE1 3.16Å; K546-E565 PolarHBondContact NZ-OE1 2.68Å; K546-E565 IonicContact NZ-OE2 3.89Å; K546-E565 PolarHBondContact NZ-OE2 2.91Å; H561-E565 PolarHBondContact O-N 2.97Å; K563-E565 VanDerWaalsContact C-N 3.32Å; K563-E565 PolarHBondContact O-N 3.39Å; E565-D567 PolarHBondContact O-N 3.47Å; E565-I568 WeakPolarHBondContact O-CG2 3.38Å; E565-L569 HydrophobicContact CG-CD1 3.78Å; E565-L569 VanDerWaalsContact O-CB 3.28Å; E565-L569 WeakPolarHBondContact O-CB 3.3Å; E565-L569 VanDerWaalsContact O-CG 3.23Å; E565-L569 WeakPolarHBondContact O-CG 3.4Å; E565-L569 PolarHBondContact O-N 3.39Å; E565-L569 VanDerWaalsContact O-N 3.1Å; E565-F592 HydrophobicContact CG-CE1 4.41Å; E565-F592 HydrophobicContact CG-CZ 4.43Å; E565-F659 HydrophobicContact CB-CB 4.16Å; E565-F659 HydrophobicContact CG-CB 4.13Å
566	R	87.8	Confident	84.6	Confident	22 Å²	22	32.1 Å²	32.1	8%	0.083	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-45.1	176.1	-170.5	-142.1	73.3	115	-7.1	112.6	V562 K563 A564 A570 F592 E870 F871	V562-R566 PolarHBondContact O-N 3.46Å; V562-R566 VanDerWaalsContact O-N 3.09Å; K563-R566 PolarHBondContact O-N 3.32Å; A564-R566 PolarHBondContact O-N 2.86Å; R566-A570 WeakPolarHBondContact O-CB 3.45Å; R566-A570 PolarHBondContact O-N 3.32Å; R566-F592 HydrophobicContact CB-CE1 3.68Å; R566-F592 HydrophobicContact CB-CZ 4.2Å; R566-F592 HydrophobicContact CG-CE1 4.03Å; R566-E870 PolarHBondContact NH1-O 3.25Å; R566-F871 HydrophobicContact CB-CE2 4.15Å; R566-F871 HydrophobicContact CG-CD2 4.3Å; R566-F871 HydrophobicContact CG-CE2 4.14Å
567	D	85.3	Confident	85.3	Confident	9 Å²	9	25.5 Å²	25.5	5%	0.048	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-47.6	-175.3	-69.4	-6.4	0	0	0	111.6	K563 A564 E565 A570 E571 F636 H669	K563-D567 WeakPolarHBondContact O-CB 3.22Å; K563-D567 PolarHBondContact O-N 2.72Å; A564-D567 PolarHBondContact O-N 2.68Å; E565-D567 PolarHBondContact O-N 3.47Å; D567-A570 PolarHBondContact O-N 3.19Å; D567-E571 WeakPolarHBondContact O-CB 3.43Å; D567-E571 PolarHBondContact O-N 3.25Å; D567-F636 HydrophobicContact CB-CZ 4.27Å; D567-H669 IonicContact OD2-CD2 2.63Å; D567-H669 IonicContact OD2-CE1 2.85Å; D567-H669 IonicContact OD2-NE2 2.98Å; D567-H669 PolarHBondContact OD2-NE2 2.87Å
568	I	84.8	Confident	86	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-45	179	-169.7	174.1	0	0	0	111	A564 E565 A570 E571 A572 V631 L634 F636 F659	A564-I568 WeakPolarHBondContact O-CG2 3.4Å; A564-I568 PolarHBondContact O-N 3.23Å; E565-I568 WeakPolarHBondContact O-CG2 3.38Å; I568-A570 VanDerWaalsContact C-N 3.27Å; I568-A570 PolarHBondContact O-N 2.77Å; I568-E571 PolarHBondContact O-N 3.32Å; I568-E571 VanDerWaalsContact O-N 3.17Å; I568-A572 WeakPolarHBondContact O-CB 3.38Å; I568-A572 PolarHBondContact O-N 3.14Å; I568-V631 HydrophobicContact CD1-CB 4.46Å; I568-V631 HydrophobicContact CD1-CG1 3.78Å; I568-V631 HydrophobicContact CD1-CG2 4.29Å; I568-L634 HydrophobicContact CG1-CD1 4.27Å; I568-F636 HydrophobicContact CB-CD1 4.16Å; I568-F636 HydrophobicContact CB-CD2 4.09Å; I568-F636 HydrophobicContact CB-CE1 4.04Å; I568-F636 HydrophobicContact CB-CE2 3.98Å; I568-F636 HydrophobicContact CB-CG 4.18Å; I568-F636 HydrophobicContact CB-CZ 3.95Å; I568-F636 HydrophobicContact CD1-CB 3.74Å; I568-F636 HydrophobicContact CD1-CD1 4.38Å; I568-F636 HydrophobicContact CD1-CD2 3.87Å; I568-F636 HydrophobicContact CD1-CG 3.75Å; I568-F636 HydrophobicContact CG1-CD2 3.83Å; I568-F636 HydrophobicContact CG1-CE2 4.08Å; I568-F636 HydrophobicContact CG1-CG 4.11Å; I568-F659 HydrophobicContact CD1-CD1 3.61Å; I568-F659 HydrophobicContact CD1-CE1 3.69Å; I568-F659 HydrophobicContact CD1-CG 4.41Å; I568-F659 HydrophobicContact CG1-CD1 4.46Å; I568-F659 HydrophobicContact CG2-CB 3.57Å; I568-F659 HydrophobicContact CG2-CD1 3.76Å; I568-F659 HydrophobicContact CG2-CD2 3.98Å; I568-F659 HydrophobicContact CG2-CG 3.47Å; I568-F659 VanDerWaalsContact CG2-CG 3.47Å
569	L	87.3	Confident	86.5	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-65.7	-30.9	179.2	-73.1	175.6	0	0	0	112.6	E565 V577 V578 L580 F592 M594 F659 R875	E565-L569 HydrophobicContact CG-CD1 3.78Å; E565-L569 VanDerWaalsContact O-CB 3.28Å; E565-L569 WeakPolarHBondContact O-CB 3.3Å; E565-L569 VanDerWaalsContact O-CG 3.23Å; E565-L569 WeakPolarHBondContact O-CG 3.4Å; E565-L569 PolarHBondContact O-N 3.39Å; E565-L569 VanDerWaalsContact O-N 3.1Å; L569-V577 HydrophobicContact CD2-CG1 3.88Å; L569-V578 WeakPolarHBondContact CD2-O 3.37Å; L569-L580 HydrophobicContact CB-CB 3.74Å; L569-L580 HydrophobicContact CB-CD2 3.95Å; L569-L580 HydrophobicContact CB-CG 4.42Å; L569-F592 HydrophobicContact CD1-CD1 4.5Å; L569-M594 HydrophobicContact CD1-SD 4.2Å; L569-F659 HydrophobicContact CD1-CD2 4.45Å; L569-F659 HydrophobicContact CD2-CD2 3.6Å; L569-F659 HydrophobicContact CD2-CE2 3.5Å; L569-F659 VanDerWaalsContact CD2-CE2 3.5Å; L569-F659 HydrophobicContact CG-CD2 3.83Å; L569-F659 HydrophobicContact CG-CE2 4.23Å; L569-R875 PolarHBondContact O-NH2 3.13Å
570	A	87.1	Confident	87	Confident	15 Å²	15	25.1 Å²	25.1	12%	0.124	12%	0.123	C	C	.	.	H	α-helix	trans	-74.6	-31.9	174.7	0	0	0	0	0	112.9	R566 D567 I568 L580 F873	R566-A570 WeakPolarHBondContact O-CB 3.45Å; R566-A570 PolarHBondContact O-N 3.32Å; D567-A570 PolarHBondContact O-N 3.19Å; I568-A570 VanDerWaalsContact C-N 3.27Å; I568-A570 PolarHBondContact O-N 2.77Å; A570-L580 HydrophobicContact CB-CD2 4.36Å; A570-F873 HydrophobicContact CB-CD1 4.1Å; A570-F873 HydrophobicContact CB-CD2 3.63Å; A570-F873 HydrophobicContact CB-CE1 4.02Å; A570-F873 HydrophobicContact CB-CE2 3.55Å; A570-F873 HydrophobicContact CB-CG 3.91Å; A570-F873 HydrophobicContact CB-CZ 3.75Å
571	E	84.2	Confident	87.6	Confident	63 Å²	63	26.6 Å²	26.6	29%	0.294	13%	0.128	S	C	.	.	H	α-helix	trans	-92.2	-28.9	-176.2	-167	162.7	167.6	0	0	113.1	K464 D567 I568 D573 L634 R666	K464-E571 IonicContact NZ-OE2 3.01Å; D567-E571 WeakPolarHBondContact O-CB 3.43Å; D567-E571 PolarHBondContact O-N 3.25Å; I568-E571 PolarHBondContact O-N 3.32Å; I568-E571 VanDerWaalsContact O-N 3.17Å; E571-D573 PolarHBondContact O-N 3.47Å; E571-L634 HydrophobicContact CG-CD2 4.39Å; E571-R666 IonicContact OE1-NH2 3.73Å; E571-R666 PolarHBondContact OE1-NH2 3.12Å; E571-R666 IonicContact OE2-CZ 3.78Å; E571-R666 IonicContact OE2-NH1 2.72Å; E571-R666 PolarHBondContact OE2-NH1 3.33Å; E571-R666 VanDerWaalsContact OE2-NH1 3.08Å; E571-R666 IonicContact OE2-NH2 3.63Å; E571-R666 PolarHBondContact OE2-NH2 3.08Å
572	A	85.4	Confident	88.1	Confident	3 Å²	3	25.7 Å²	25.7	3%	0.025	12%	0.124	C	C	.	.			trans	-67.5	115.7	174.9	0	0	0	0	0	109.7	I568 V577 L634 R875	I568-A572 WeakPolarHBondContact O-CB 3.38Å; I568-A572 PolarHBondContact O-N 3.14Å; A572-V577 HydrophobicContact CB-CB 3.88Å; A572-V577 HydrophobicContact CB-CG1 3.76Å; A572-V577 HydrophobicContact CB-CG2 4.24Å; A572-L634 HydrophobicContact CB-CD1 3.8Å; A572-R875 PolarHBondContact O-NH1 2.79Å; A572-R875 PolarHBondContact O-NH2 2.82Å
573	D	82.3	Confident	88.3	Confident	110 Å²	110	25.4 Å²	25.4	59%	0.588	12%	0.122	S	C	*	.			trans	-128.6	65.1	171.3	-161.5	34	0	0	0	108.7	E571 R875	E571-D573 PolarHBondContact O-N 3.47Å; D573-R875 IonicContact OD1-NH1 2.8Å; D573-R875 PolarHBondContact OD1-NH1 3Å
574	N	87.6	Confident	88.8	Confident	39 Å²	39	25.3 Å²	25.3	21%	0.209	12%	0.122	C	C	.	.	S	Bend	trans	-139.7	173.6	-178.7	65	48.8	0	0	0	110.3	W576 V577	N574-W576 VanDerWaalsContact C-N 3.33Å; N574-W576 PolarHBondContact OD1-N 2.89Å; N574-W576 VanDerWaalsContact OD1-N 3.09Å; N574-V577 PolarHBondContact OD1-N 3.31Å; N574-V577 VanDerWaalsContact OD1-N 3.07Å
575	E	91.6	Very high	89.3	Confident	120 Å²	120	27.5 Å²	27.5	56%	0.561	13%	0.132	S	C	*	.	S	Bend	trans	-81.2	-17.1	-175.4	-65.1	172	125.9	0	0	112.8	K655 R824	E575-K655 WeakPolarHBondContact O-CE 3.09Å; E575-K655 WeakPolarHBondContact O-CG 3.3Å; E575-K655 PolarHBondContact O-NZ 2.86Å; E575-R824 PolarHBondContact O-NH1 3.03Å
576	W	94.9	Very high	89.5	Confident	36 Å²	36	29.8 Å²	29.8	14%	0.136	15%	0.145	C	C	.	.	S	Bend	trans	-87.2	-20.9	-171.5	-54.8	115	0	0	0	115	N574 E623 C626 A627 K655 L656 L823 R824	N574-W576 VanDerWaalsContact C-N 3.33Å; N574-W576 PolarHBondContact OD1-N 2.89Å; N574-W576 VanDerWaalsContact OD1-N 3.09Å; W576-E623 HydrophobicContact CH2-CB 4.43Å; W576-E623 HydrophobicContact CH2-CG 4.42Å; W576-E623 HydrophobicContact CZ3-CB 3.84Å; W576-E623 HydrophobicContact CZ3-CG 4.11Å; W576-C626 HydrophobicContact CD2-CB 4.17Å; W576-C626 HydrophobicContact CE3-CB 4.49Å; W576-C626 HydrophobicContact CH2-CB 3.83Å; W576-C626 HydrophobicContact CZ2-CB 3.43Å; W576-C626 VanDerWaalsContact CZ2-CB 3.43Å; W576-C626 HydrophobicContact CZ3-CB 4.34Å; W576-A627 HydrophobicContact CB-CB 3.75Å; W576-A627 HydrophobicContact CD2-CB 4.27Å; W576-A627 HydrophobicContact CE3-CB 4.12Å; W576-A627 HydrophobicContact CG-CB 4.15Å; W576-K655 CarbonylContact O-C 3.56Å; W576-K655 VanDerWaalsContact O-CA 3.32Å; W576-K655 WeakPolarHBondContact O-CA 3.18Å; W576-L656 PolarHBondContact O-N 2.63Å; W576-L823 HydrophobicContact CH2-CB 4.45Å; W576-R824 HydrophobicContact CH2-CG 3.79Å; W576-R824 HydrophobicContact CZ2-CG 4.43Å; W576-R824 HydrophobicContact CZ3-CG 4.05Å
577	V	94	Very high	89.5	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-111.8	139.8	-179.2	174.8	0	0	0	0	109.3	L569 A572 N574 K579 V631 F659	L569-V577 HydrophobicContact CD2-CG1 3.88Å; A572-V577 HydrophobicContact CB-CB 3.88Å; A572-V577 HydrophobicContact CB-CG1 3.76Å; A572-V577 HydrophobicContact CB-CG2 4.24Å; N574-V577 PolarHBondContact OD1-N 3.31Å; N574-V577 VanDerWaalsContact OD1-N 3.07Å; V577-K579 PolarHBondContact O-N 2.77Å; V577-V631 HydrophobicContact CG2-CG2 4.02Å; V577-F659 HydrophobicContact CB-CZ 4.26Å; V577-F659 HydrophobicContact CG1-CE2 3.57Å; V577-F659 HydrophobicContact CG1-CZ 3.46Å; V577-F659 VanDerWaalsContact CG1-CZ 3.46Å; V577-F659 HydrophobicContact CG2-CZ 3.94Å
578	V	93.7	Very high	89.7	Confident	3 Å²	3	40 Å²	40	2%	0.018	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-57	126.3	173.1	171.4	0	0	0	0	110	L569 L580 M594 E595 I597 L647 K655 L656	L569-V578 WeakPolarHBondContact CD2-O 3.37Å; V578-L580 PolarHBondContact O-N 3.27Å; V578-M594 HydrophobicContact CG1-CB 3.9Å; V578-M594 HydrophobicContact CG1-SD 4.5Å; V578-E595 WeakPolarHBondContact CA-OE1 3.36Å; V578-E595 HydrophobicContact CB-CG 4.48Å; V578-E595 HydrophobicContact CG1-CG 3.74Å; V578-I597 HydrophobicContact CG2-CG1 4.18Å; V578-L647 HydrophobicContact CG2-CD1 4.06Å; V578-K655 HydrophobicContact CG2-CB 4.1Å; V578-L656 WeakPolarHBondContact CG2-O 3.44Å; V578-L656 PolarHBondContact N-O 2.65Å
579	K	92.3	Very high	90.1	Very high	57 Å²	57	41.6 Å²	41.6	25%	0.248	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-71.4	126.2	179.6	-69.4	172.7	-178.3	169.8	0	111.6	V577 M594 E595	V577-K579 PolarHBondContact O-N 2.77Å; K579-M594 CarbonylContact O-C 3.54Å; K579-M594 VanDerWaalsContact O-CA 3.26Å; K579-M594 WeakPolarHBondContact O-CA 3.35Å; K579-E595 HydrophobicContact CB-CB 4.38Å; K579-E595 HydrophobicContact CB-CG 4.03Å; K579-E595 WeakPolarHBondContact CG-OE1 3.3Å; K579-E595 PolarHBondContact N-OE1 3.41Å; K579-E595 PolarHBondContact O-N 3.43Å
580	L	92.7	Very high	90.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.3	163.5	-179.5	72.3	0	0	0	110.3	L569 A570 V578 Y582 F592 M594 F873 R875	L569-L580 HydrophobicContact CB-CB 3.74Å; L569-L580 HydrophobicContact CB-CD2 3.95Å; L569-L580 HydrophobicContact CB-CG 4.42Å; A570-L580 HydrophobicContact CB-CD2 4.36Å; V578-L580 PolarHBondContact O-N 3.27Å; L580-Y582 WeakPolarHBondContact CD1-O 3.41Å; L580-F592 HydrophobicContact CD1-CB 3.82Å; L580-F592 HydrophobicContact CD1-CD1 3.82Å; L580-F592 HydrophobicContact CD1-CG 4.33Å; L580-F592 HydrophobicContact CD2-CD1 4.32Å; L580-M594 HydrophobicContact CD1-CG 3.91Å; L580-F873 HydrophobicContact CD2-CD1 3.67Å; L580-F873 HydrophobicContact CD2-CE1 4.12Å; L580-F873 HydrophobicContact CD2-CG 4.45Å; L580-F873 HydrophobicContact CG-CD1 3.97Å; L580-F873 HydrophobicContact CG-CE1 4.18Å; L580-F873 WeakPolarHBondContact O-CE1 3.39Å; L580-R875 PolarHBondContact O-NE 3Å
581	Y	90.8	Very high	90.7	Very high	31 Å²	31	41.2 Å²	41.2	12%	0.122	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-50.3	173	-68.6	-83.9	0	0	0	110.9	F543 I593 E595 R874 R875	F543-Y581 AromaticContact CD1-CD2 3.68Å; F543-Y581 HydrophobicContact CD1-CD2 3.68Å; F543-Y581 AromaticContact CD1-CE2 3.96Å; F543-Y581 HydrophobicContact CD1-CE2 3.96Å; F543-Y581 HydrophobicContact CD1-CG 4.33Å; F543-Y581 HydrophobicContact CE1-CD1 4.31Å; F543-Y581 AromaticContact CE1-CD2 3.56Å; F543-Y581 HydrophobicContact CE1-CD2 3.56Å; F543-Y581 AromaticContact CE1-CE2 3.78Å; F543-Y581 HydrophobicContact CE1-CE2 3.78Å; F543-Y581 AromaticContact CE1-CG 3.84Å; F543-Y581 HydrophobicContact CE1-CG 3.84Å; Y581-I593 PolarHBondContact N-O 2.78Å; Y581-E595 HydrophobicContact CE2-CB 3.78Å; Y581-R874 WeakPolarHBondContact O-CA 3.37Å; Y581-R875 PolarHBondContact O-N 3.2Å
582	Y	91	Very high	91.2	Very high	11 Å²	11	38.2 Å²	38.2	4%	0.043	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.1	-174.6	-41.2	-58	0	0	0	110.9	L512 F517 K536 F543 L580 I593 F873 R874 D878	L512-Y582 HydrophobicContact CD1-CD1 3.96Å; L512-Y582 HydrophobicContact CD1-CD2 4.29Å; L512-Y582 HydrophobicContact CD1-CG 3.65Å; F517-Y582 HydrophobicContact CZ-CD2 4.31Å; K536-Y582 HydrophobicContact CD-CE2 4.46Å; F543-Y582 HydrophobicContact CZ-CE2 4.42Å; L580-Y582 WeakPolarHBondContact CD1-O 3.41Å; Y582-I593 HydrophobicContact CD2-CB 3.72Å; Y582-I593 HydrophobicContact CD2-CG1 4.03Å; Y582-I593 HydrophobicContact CD2-CG2 3.71Å; Y582-I593 HydrophobicContact CE2-CG2 4.31Å; Y582-I593 HydrophobicContact CG-CB 4.27Å; Y582-I593 PolarHBondContact N-O 3.11Å; Y582-I593 PolarHBondContact O-N 2.92Å; Y582-F873 CarbonylContact C-O 3.51Å; Y582-F873 VanDerWaalsContact CA-O 3.31Å; Y582-F873 WeakPolarHBondContact CA-O 3.39Å; Y582-R874 HydrophobicContact CD1-CB 4.34Å; Y582-R874 HydrophobicContact CD1-CG 3.76Å; Y582-R874 HydrophobicContact CE1-CG 3.87Å; Y582-D878 PolarHBondContact OH-OD1 2.98Å
583	S	92	Very high	91.7	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.5	157	64.2	0	0	0	0	109.4	F591 F871 T872 F873	S583-F591 CarbonylContact C-O 3.42Å; S583-F591 WeakPolarHBondContact CA-O 3.41Å; S583-F591 WeakPolarHBondContact CB-O 3.45Å; S583-F871 PolarHBondContact OG-O 2.88Å; S583-T872 CarbonylContact O-C 3.5Å; S583-T872 VanDerWaalsContact O-CA 3.24Å; S583-T872 WeakPolarHBondContact O-CA 3.28Å; S583-F873 PolarHBondContact N-O 3.12Å; S583-F873 PolarHBondContact O-N 2.92Å; S583-F873 WeakPolarHBondContact OG-CB 2.96Å; S583-F873 PolarHBondContact OG-N 3.13Å
584	F	92.5	Very high	92.3	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.026	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	174.5	179.5	62.1	-86.9	0	0	0	109.8	L512 P514 F517 F591 I593 F871	L512-F584 HydrophobicContact CB-CB 4.24Å; L512-F584 HydrophobicContact CB-CD1 3.74Å; L512-F584 HydrophobicContact CB-CD2 4.33Å; L512-F584 HydrophobicContact CB-CE1 4.13Å; L512-F584 HydrophobicContact CB-CG 3.85Å; L512-F584 HydrophobicContact CD1-CD1 4.05Å; P514-F584 HydrophobicContact CG-CE2 4Å; F517-F584 HydrophobicContact CD2-CZ 4.35Å; F517-F584 AromaticContact CE2-CE1 3.95Å; F517-F584 HydrophobicContact CE2-CE1 3.95Å; F517-F584 AromaticContact CE2-CZ 3.99Å; F517-F584 HydrophobicContact CE2-CZ 3.99Å; F584-F591 HydrophobicContact CD1-CB 4.06Å; F584-F591 HydrophobicContact CD2-CB 4.01Å; F584-F591 AromaticContact CD2-CD2 3.67Å; F584-F591 HydrophobicContact CD2-CD2 3.67Å; F584-F591 HydrophobicContact CD2-CE2 4.49Å; F584-F591 HydrophobicContact CD2-CG 4.06Å; F584-F591 HydrophobicContact CE1-CB 3.76Å; F584-F591 HydrophobicContact CE1-CG 4.43Å; F584-F591 HydrophobicContact CE2-CB 3.69Å; F584-F591 HydrophobicContact CE2-CD1 4.25Å; F584-F591 AromaticContact CE2-CD2 3.42Å; F584-F591 HydrophobicContact CE2-CD2 3.42Å; F584-F591 VanDerWaalsContact CE2-CD2 3.42Å; F584-F591 HydrophobicContact CE2-CE2 4.1Å; F584-F591 AromaticContact CE2-CG 3.51Å; F584-F591 HydrophobicContact CE2-CG 3.51Å; F584-F591 HydrophobicContact CG-CB 4.18Å; F584-F591 HydrophobicContact CZ-CB 3.56Å; F584-F591 HydrophobicContact CZ-CD1 4.26Å; F584-F591 HydrophobicContact CZ-CD2 4.14Å; F584-F591 AromaticContact CZ-CG 3.73Å; F584-F591 HydrophobicContact CZ-CG 3.73Å; F584-F591 PolarHBondContact N-O 3.42Å; F584-F591 PolarHBondContact O-N 3.16Å; F584-I593 HydrophobicContact CD1-CG1 4.4Å; F584-I593 HydrophobicContact CE1-CD1 3.9Å; F584-I593 HydrophobicContact CE1-CG1 3.66Å; F584-I593 HydrophobicContact CZ-CD1 4.39Å; F584-F871 VanDerWaalsContact O-CE1 3.23Å; F584-F871 WeakPolarHBondContact O-CE1 3.43Å
585	Q	92.6	Very high	92.5	Very high	47 Å²	47	32.7 Å²	32.7	22%	0.22	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	153.7	-177.6	65.7	-174.9	-65.6	0	0	110.7	N589 L590 F868 F871	Q585-N589 WeakPolarHBondContact CA-O 3.42Å; Q585-N589 WeakPolarHBondContact CB-O 3.49Å; Q585-L590 HydrophobicContact CB-CD2 3.61Å; Q585-F868 PolarHBondContact NE2-O 3.1Å; Q585-F871 HydrophobicContact CB-CD1 4.28Å
586	D	90	Very high	92.7	Very high	51 Å²	51	28.2 Å²	28.2	27%	0.273	13%	0.13	S	C	.	.			trans	-112.8	-160.5	164.6	68.8	24.9	0	0	0	110.1	K550 D588 N589 F591	K550-D586 VanDerWaalsContact CE-O 3.3Å; K550-D586 WeakPolarHBondContact CE-O 3.36Å; K550-D586 PolarHBondContact NZ-O 2.94Å; D586-D588 VanDerWaalsContact C-N 3.29Å; D586-D588 PolarHBondContact O-N 3.41Å; D586-D588 PolarHBondContact OD1-N 3.28Å; D586-N589 PolarHBondContact N-O 3.48Å; D586-N589 PolarHBondContact OD1-N 3.45Å; D586-F591 HydrophobicContact CB-CE2 4.19Å; D586-F591 WeakPolarHBondContact OD2-CE2 3.41Å; D586-F591 WeakPolarHBondContact OD2-CZ 3.23Å
587	K	86.9	Confident	92.7	Very high	164 Å²	164	27 Å²	27	71%	0.713	13%	0.126	S	C	*	.	S	Bend	trans	-64.7	-30.9	177.8	48.5	159.7	-179.8	161.9	0	113.4
588	D	89.7	Confident	92.7	Very high	80 Å²	80	27.4 Å²	27.4	43%	0.428	13%	0.129	S	C	.	.	S	Bend	trans	-117.2	-28.1	-166.1	-60.3	-43.3	0	0	0	112.5	K550 D586	K550-D588 WeakPolarHBondContact CB-O 3.42Å; K550-D588 PolarHBondContact N-O 2.8Å; D586-D588 VanDerWaalsContact C-N 3.29Å; D586-D588 PolarHBondContact O-N 3.41Å; D586-D588 PolarHBondContact OD1-N 3.28Å
589	N	93.3	Very high	92.7	Very high	34 Å²	34	27.5 Å²	27.5	18%	0.182	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156	-168.1	-55.2	-67.9	0	0	0	113.4	V547 L548 R549 Q585 D586 F591	V547-N589 HydrophobicContact CG1-CB 3.93Å; L548-N589 CarbonylContact O-C 3.58Å; L548-N589 VanDerWaalsContact O-CA 3.23Å; L548-N589 WeakPolarHBondContact O-CA 3.47Å; R549-N589 WeakPolarHBondContact CG-OD1 3.42Å; Q585-N589 WeakPolarHBondContact CA-O 3.42Å; Q585-N589 WeakPolarHBondContact CB-O 3.49Å; D586-N589 PolarHBondContact N-O 3.48Å; D586-N589 PolarHBondContact OD1-N 3.45Å; N589-F591 HydrophobicContact CB-CD2 4.5Å; N589-F591 HydrophobicContact CB-CE1 4.32Å; N589-F591 HydrophobicContact CB-CE2 3.68Å; N589-F591 HydrophobicContact CB-CZ 3.57Å
590	L	93.4	Very high	92.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.1	167.9	-53.9	175.9	0	0	0	108.6	V547 L548 K550 V562 Q585 F868 F871	V547-L590 WeakPolarHBondContact CA-O 3.28Å; L548-L590 HydrophobicContact CB-CB 4.31Å; L548-L590 PolarHBondContact N-O 3.02Å; L548-L590 PolarHBondContact O-N 2.91Å; K550-L590 HydrophobicContact CD-CD2 4.49Å; K550-L590 HydrophobicContact CG-CD2 4.04Å; K550-L590 HydrophobicContact CG-CG 4Å; V562-L590 HydrophobicContact CG1-CD1 3.67Å; Q585-L590 HydrophobicContact CB-CD2 3.61Å; L590-F868 HydrophobicContact CD1-CD1 3.54Å; L590-F868 HydrophobicContact CD1-CD2 4.2Å; L590-F868 HydrophobicContact CD1-CE1 3.5Å; L590-F868 HydrophobicContact CD1-CE2 4.14Å; L590-F868 HydrophobicContact CD1-CG 3.91Å; L590-F868 HydrophobicContact CD1-CZ 3.82Å; L590-F868 HydrophobicContact CD2-CB 3.96Å; L590-F868 HydrophobicContact CD2-CD1 4.25Å; L590-F868 HydrophobicContact CD2-CD2 4.14Å; L590-F868 HydrophobicContact CD2-CG 3.85Å; L590-F868 HydrophobicContact CG-CG 4.48Å; L590-F871 HydrophobicContact CB-CE1 3.85Å; L590-F871 HydrophobicContact CB-CE2 4.46Å; L590-F871 HydrophobicContact CB-CZ 3.78Å; L590-F871 HydrophobicContact CD1-CE2 4.25Å; L590-F871 HydrophobicContact CD1-CZ 4.37Å; L590-F871 HydrophobicContact CD2-CD1 4.08Å; L590-F871 HydrophobicContact CD2-CE1 4.17Å; L590-F871 HydrophobicContact CD2-CG 4.27Å; L590-F871 HydrophobicContact CD2-CZ 4.44Å; L590-F871 HydrophobicContact CG-CZ 4.42Å
591	F	94.7	Very high	92.8	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.035	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.9	-176.1	-58	-90.5	0	0	0	110.2	P514 M545 K546 V547 S583 F584 D586 N589	P514-F591 HydrophobicContact CB-CE1 4.15Å; P514-F591 HydrophobicContact CB-CZ 4.14Å; P514-F591 HydrophobicContact CG-CD2 4.43Å; P514-F591 HydrophobicContact CG-CE1 3.88Å; P514-F591 HydrophobicContact CG-CE2 3.74Å; P514-F591 HydrophobicContact CG-CZ 3.42Å; P514-F591 VanDerWaalsContact CG-CZ 3.42Å; M545-F591 HydrophobicContact CG-CD1 4.36Å; M545-F591 HydrophobicContact SD-CD1 3.97Å; K546-F591 WeakPolarHBondContact O-CA 3.1Å; V547-F591 HydrophobicContact CB-CD1 4.5Å; V547-F591 HydrophobicContact CB-CE1 4.46Å; V547-F591 HydrophobicContact CG1-CD1 4.23Å; V547-F591 HydrophobicContact CG1-CE1 3.81Å; V547-F591 HydrophobicContact CG1-CZ 4.4Å; V547-F591 HydrophobicContact CG2-CD1 3.89Å; V547-F591 HydrophobicContact CG2-CE1 3.94Å; S583-F591 CarbonylContact C-O 3.42Å; S583-F591 WeakPolarHBondContact CA-O 3.41Å; S583-F591 WeakPolarHBondContact CB-O 3.45Å; F584-F591 HydrophobicContact CD1-CB 4.06Å; F584-F591 HydrophobicContact CD2-CB 4.01Å; F584-F591 AromaticContact CD2-CD2 3.67Å; F584-F591 HydrophobicContact CD2-CD2 3.67Å; F584-F591 HydrophobicContact CD2-CE2 4.49Å; F584-F591 HydrophobicContact CD2-CG 4.06Å; F584-F591 HydrophobicContact CE1-CB 3.76Å; F584-F591 HydrophobicContact CE1-CG 4.43Å; F584-F591 HydrophobicContact CE2-CB 3.69Å; F584-F591 HydrophobicContact CE2-CD1 4.25Å; F584-F591 AromaticContact CE2-CD2 3.42Å; F584-F591 HydrophobicContact CE2-CD2 3.42Å; F584-F591 VanDerWaalsContact CE2-CD2 3.42Å; F584-F591 HydrophobicContact CE2-CE2 4.1Å; F584-F591 AromaticContact CE2-CG 3.51Å; F584-F591 HydrophobicContact CE2-CG 3.51Å; F584-F591 HydrophobicContact CG-CB 4.18Å; F584-F591 HydrophobicContact CZ-CB 3.56Å; F584-F591 HydrophobicContact CZ-CD1 4.26Å; F584-F591 HydrophobicContact CZ-CD2 4.14Å; F584-F591 AromaticContact CZ-CG 3.73Å; F584-F591 HydrophobicContact CZ-CG 3.73Å; F584-F591 PolarHBondContact N-O 3.42Å; F584-F591 PolarHBondContact O-N 3.16Å; D586-F591 HydrophobicContact CB-CE2 4.19Å; D586-F591 WeakPolarHBondContact OD2-CE2 3.41Å; D586-F591 WeakPolarHBondContact OD2-CZ 3.23Å; N589-F591 HydrophobicContact CB-CD2 4.5Å; N589-F591 HydrophobicContact CB-CE1 4.32Å; N589-F591 HydrophobicContact CB-CE2 3.68Å; N589-F591 HydrophobicContact CB-CZ 3.57Å
592	F	94.9	Very high	92.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.4	166.8	-60.2	-99.8	0	0	0	108.6	M545 K546 L548 V562 E565 R566 L569 L580 M594 F871	M545-F592 CarbonylContact C-O 3.58Å; M545-F592 VanDerWaalsContact CA-O 3.27Å; M545-F592 WeakPolarHBondContact CA-O 3.45Å; K546-F592 HydrophobicContact CB-CB 4.17Å; K546-F592 HydrophobicContact CB-CD2 4.38Å; K546-F592 HydrophobicContact CD-CD2 4.46Å; K546-F592 PolarHBondContact N-O 3.19Å; K546-F592 PolarHBondContact O-N 3.26Å; L548-F592 HydrophobicContact CD1-CD2 4.47Å; L548-F592 HydrophobicContact CD1-CE2 3.7Å; L548-F592 HydrophobicContact CG-CE2 4.4Å; V562-F592 HydrophobicContact CG1-CE2 4.23Å; V562-F592 HydrophobicContact CG1-CZ 3.99Å; E565-F592 HydrophobicContact CG-CE1 4.41Å; E565-F592 HydrophobicContact CG-CZ 4.43Å; R566-F592 HydrophobicContact CB-CE1 3.68Å; R566-F592 HydrophobicContact CB-CZ 4.2Å; R566-F592 HydrophobicContact CG-CE1 4.03Å; L569-F592 HydrophobicContact CD1-CD1 4.5Å; L580-F592 HydrophobicContact CD1-CB 3.82Å; L580-F592 HydrophobicContact CD1-CD1 3.82Å; L580-F592 HydrophobicContact CD1-CG 4.33Å; L580-F592 HydrophobicContact CD2-CD1 4.32Å; F592-M594 HydrophobicContact CB-CG 4.17Å; F592-M594 HydrophobicContact CB-SD 4.26Å; F592-F871 HydrophobicContact CD1-CZ 4.36Å; F592-F871 HydrophobicContact CD2-CZ 4.14Å; F592-F871 HydrophobicContact CE1-CE2 4.05Å; F592-F871 AromaticContact CE1-CZ 3.8Å; F592-F871 HydrophobicContact CE1-CZ 3.8Å; F592-F871 HydrophobicContact CE2-CE2 4.1Å; F592-F871 AromaticContact CE2-CZ 3.54Å; F592-F871 HydrophobicContact CE2-CZ 3.54Å; F592-F871 AromaticContact CZ-CE2 3.55Å; F592-F871 HydrophobicContact CZ-CE2 3.55Å; F592-F871 AromaticContact CZ-CZ 3.36Å; F592-F871 HydrophobicContact CZ-CZ 3.36Å
593	I	94.9	Very high	92.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	107.4	174.8	-50	-59.6	0	0	0	107.8	F517 F543 M545 Y581 Y582 F584	F517-I593 HydrophobicContact CD1-CD1 4.31Å; F517-I593 HydrophobicContact CD2-CD1 4.46Å; F517-I593 HydrophobicContact CE1-CD1 3.98Å; F517-I593 HydrophobicContact CE1-CG1 4.15Å; F517-I593 HydrophobicContact CE1-CG2 3.94Å; F517-I593 HydrophobicContact CE2-CD1 4.16Å; F517-I593 HydrophobicContact CE2-CG1 4.34Å; F517-I593 HydrophobicContact CZ-CD1 3.91Å; F517-I593 HydrophobicContact CZ-CG1 3.82Å; F517-I593 HydrophobicContact CZ-CG2 4.32Å; F543-I593 HydrophobicContact CB-CG2 3.57Å; F543-I593 HydrophobicContact CD1-CG2 3.73Å; F543-I593 HydrophobicContact CD2-CG2 4.07Å; F543-I593 HydrophobicContact CE1-CG2 4.44Å; F543-I593 HydrophobicContact CG-CG2 3.51Å; M545-I593 HydrophobicContact CB-CD1 3.96Å; M545-I593 HydrophobicContact CG-CD1 3.68Å; M545-I593 HydrophobicContact SD-CD1 4Å; Y581-I593 PolarHBondContact N-O 2.78Å; Y582-I593 HydrophobicContact CD2-CB 3.72Å; Y582-I593 HydrophobicContact CD2-CG1 4.03Å; Y582-I593 HydrophobicContact CD2-CG2 3.71Å; Y582-I593 HydrophobicContact CE2-CG2 4.31Å; Y582-I593 HydrophobicContact CG-CB 4.27Å; Y582-I593 PolarHBondContact N-O 3.11Å; Y582-I593 PolarHBondContact O-N 2.92Å; F584-I593 HydrophobicContact CD1-CG1 4.4Å; F584-I593 HydrophobicContact CE1-CD1 3.9Å; F584-I593 HydrophobicContact CE1-CG1 3.66Å; F584-I593 HydrophobicContact CZ-CD1 4.39Å
594	M	94.3	Very high	92.8	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.039	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	162.7	-170.9	-59.1	175.5	-62.1	0	0	110.6	F543 A544 K546 L569 V578 K579 L580 F592	F543-M594 WeakPolarHBondContact CA-O 3.23Å; F543-M594 WeakPolarHBondContact CB-O 3.45Å; A544-M594 HydrophobicContact CB-CB 4.47Å; A544-M594 HydrophobicContact CB-CE 4.49Å; A544-M594 PolarHBondContact N-O 3.46Å; A544-M594 PolarHBondContact O-N 2.87Å; K546-M594 HydrophobicContact CB-CE 3.68Å; L569-M594 HydrophobicContact CD1-SD 4.2Å; V578-M594 HydrophobicContact CG1-CB 3.9Å; V578-M594 HydrophobicContact CG1-SD 4.5Å; K579-M594 CarbonylContact O-C 3.54Å; K579-M594 VanDerWaalsContact O-CA 3.26Å; K579-M594 WeakPolarHBondContact O-CA 3.35Å; L580-M594 HydrophobicContact CD1-CG 3.91Å; F592-M594 HydrophobicContact CB-CG 4.17Å; F592-M594 HydrophobicContact CB-SD 4.26Å
595	E	93.5	Very high	92.8	Very high	28 Å²	28	26.3 Å²	26.3	13%	0.131	13%	0.134	C	C	.	.			trans	-59.5	140.1	168.4	63.5	-179	153.1	0	0	110.9	V578 K579 Y581 I597 K655	V578-E595 WeakPolarHBondContact CA-OE1 3.36Å; V578-E595 HydrophobicContact CB-CG 4.48Å; V578-E595 HydrophobicContact CG1-CG 3.74Å; K579-E595 HydrophobicContact CB-CB 4.38Å; K579-E595 HydrophobicContact CB-CG 4.03Å; K579-E595 WeakPolarHBondContact CG-OE1 3.3Å; K579-E595 PolarHBondContact N-OE1 3.41Å; K579-E595 PolarHBondContact O-N 3.43Å; Y581-E595 HydrophobicContact CE2-CB 3.78Å; E595-I597 HydrophobicContact CG-CD1 3.73Å; E595-I597 HydrophobicContact CG-CG1 4.25Å; E595-K655 IonicContact OE1-NZ 3.39Å; E595-K655 PolarHBondContact OE1-NZ 3.37Å; E595-K655 IonicContact OE2-NZ 2.65Å
596	Y	94.9	Very high	92.8	Very high	27 Å²	27	24.2 Å²	24.2	11%	0.106	13%	0.125	C	C	.	.			trans	-86.1	125.5	173.8	175.6	-123	0	0	0	110	I523 L533 P598 E837 D839 T840 F843	I523-Y596 HydrophobicContact CD1-CD2 4.15Å; I523-Y596 HydrophobicContact CD1-CE2 4Å; L533-Y596 HydrophobicContact CD1-CD1 3.75Å; L533-Y596 HydrophobicContact CD1-CD2 3.7Å; L533-Y596 HydrophobicContact CD1-CE1 4.03Å; L533-Y596 HydrophobicContact CD1-CE2 3.99Å; L533-Y596 HydrophobicContact CD1-CG 3.57Å; L533-Y596 HydrophobicContact CD2-CE1 4.4Å; Y596-P598 HydrophobicContact CD1-CB 4.45Å; Y596-P598 HydrophobicContact CE1-CB 3.76Å; Y596-E837 WeakPolarHBondContact CE1-O 3.41Å; Y596-D839 PolarHBondContact OH-O 3.29Å; Y596-T840 WeakPolarHBondContact OH-CG2 3.4Å; Y596-F843 AromaticContact CE2-CE2 3.72Å; Y596-F843 HydrophobicContact CE2-CE2 3.72Å; Y596-F843 AromaticContact CE2-CZ 3.85Å; Y596-F843 HydrophobicContact CE2-CZ 3.85Å; Y596-F843 AromaticContact CZ-CE2 3.91Å; Y596-F843 VanDerWaalsContact OH-CE2 3.29Å; Y596-F843 WeakPolarHBondContact OH-CE2 3.4Å
597	I	95.2	Very high	92.8	Very high	9 Å²	9	23.4 Å²	23.4	5%	0.046	12%	0.12	C	C	.	.			trans	-112.8	101.2	-177.8	-56.4	-55.9	0	0	0	108.7	V578 E595 G599 L647 I648 D649 K655 F843	V578-I597 HydrophobicContact CG2-CG1 4.18Å; E595-I597 HydrophobicContact CG-CD1 3.73Å; E595-I597 HydrophobicContact CG-CG1 4.25Å; I597-G599 PolarHBondContact O-N 3.07Å; I597-L647 HydrophobicContact CB-CB 4.18Å; I597-L647 HydrophobicContact CB-CD1 3.94Å; I597-L647 HydrophobicContact CG1-CD1 4.13Å; I597-L647 HydrophobicContact CG2-CB 3.68Å; I597-L647 HydrophobicContact CG2-CD1 4.39Å; I597-I648 VanDerWaalsContact CG2-C 3.48Å; I597-I648 WeakPolarHBondContact CG2-O 3.47Å; I597-D649 HydrophobicContact CG2-CB 4.29Å; I597-K655 HydrophobicContact CD1-CD 3.56Å; I597-K655 HydrophobicContact CG1-CD 4.21Å; I597-F843 VanDerWaalsContact O-CZ 3.25Å; I597-F843 WeakPolarHBondContact O-CZ 3.43Å
598	P	93.5	Very high	92.8	Very high	11 Å²	11	21.3 Å²	21.3	7%	0.071	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.3	-165.1	29.5	-37.3	0	0	0	116.3	Y596 G600 R650 I834 N842	Y596-P598 HydrophobicContact CD1-CB 4.45Å; Y596-P598 HydrophobicContact CE1-CB 3.76Å; P598-G600 PolarHBondContact O-N 2.98Å; P598-R650 HydrophobicContact CG-CB 4.48Å; P598-I834 HydrophobicContact CB-CD1 3.97Å; P598-I834 HydrophobicContact CB-CG1 4.25Å; P598-I834 HydrophobicContact CB-CG2 4.35Å; P598-I834 HydrophobicContact CG-CD1 3.58Å; P598-I834 HydrophobicContact CG-CG1 4.39Å; P598-N842 PolarHBondContact O-ND2 3.28Å; P598-N842 VanDerWaalsContact O-ND2 3.11Å
599	G	93.7	Very high	92.8	Very high	5 Å²	5	22.2 Å²	22.2	5%	0.052	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.6	-173.8	0	0	0	0	0	115.2	I597 I648	I597-G599 PolarHBondContact O-N 3.07Å; G599-I648 CarbonylContact C-O 3.53Å; G599-I648 WeakPolarHBondContact CA-O 3.2Å; G599-I648 PolarHBondContact N-O 3.37Å
600	G	92.7	Very high	92.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.			trans	76.4	-153.2	-175.4	0	0	0	0	0	112	P598 L647 I648	P598-G600 PolarHBondContact O-N 2.98Å; G600-L647 CarbonylContact O-C 3.5Å; G600-L647 VanDerWaalsContact O-CA 3.31Å; G600-L647 WeakPolarHBondContact O-CA 3.15Å; G600-I648 PolarHBondContact O-N 3.44Å
601	D	93.7	Very high	92.6	Very high	31 Å²	31	25.9 Å²	25.9	17%	0.166	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-117.4	166	-179.4	60.4	60.5	0	0	0	112.8	M603 A604 L605 I646 L647	D601-M603 PolarHBondContact O-N 2.93Å; D601-M603 WeakPolarHBondContact OD1-CA 3.4Å; D601-M603 WeakPolarHBondContact OD1-CB 3.43Å; D601-M603 PolarHBondContact OD1-N 2.91Å; D601-A604 PolarHBondContact O-N 3.19Å; D601-A604 PolarHBondContact OD1-N 3.24Å; D601-L605 PolarHBondContact O-N 2.97Å; D601-I646 CarbonylContact C-O 3.48Å; D601-I646 VanDerWaalsContact CA-O 3.3Å; D601-I646 WeakPolarHBondContact CA-O 3.37Å; D601-L647 HydrophobicContact CB-CD2 3.99Å
602	L	94.7	Very high	92.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-25.1	179.9	-174.1	65	0	0	0	111.7	L605 L606 F612 P643 I646 I745 M749	L602-L605 HydrophobicContact CD1-CD2 4.2Å; L602-L605 PolarHBondContact O-N 2.96Å; L602-L606 WeakPolarHBondContact O-CG 3.46Å; L602-L606 PolarHBondContact O-N 2.61Å; L602-F612 HydrophobicContact CD1-CE2 4.25Å; L602-F612 HydrophobicContact CD1-CZ 4.32Å; L602-P643 HydrophobicContact CB-CB 4.24Å; L602-P643 WeakPolarHBondContact CB-O 3.44Å; L602-P643 HydrophobicContact CG-CB 4.38Å; L602-P643 PolarHBondContact N-O 3.1Å; L602-I646 HydrophobicContact CB-CB 3.9Å; L602-I646 HydrophobicContact CB-CG2 4.04Å; L602-I646 HydrophobicContact CD2-CB 4.15Å; L602-I646 HydrophobicContact CD2-CD1 3.71Å; L602-I646 HydrophobicContact CD2-CG2 4.02Å; L602-I646 PolarHBondContact N-O 2.86Å; L602-I745 HydrophobicContact CD2-CG2 4.33Å; L602-M749 HydrophobicContact CD1-CE 4.15Å; L602-M749 HydrophobicContact CD2-CE 3.63Å; L602-M749 HydrophobicContact CG-CE 4.3Å
603	M	91.1	Very high	92.6	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.044	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-47.9	175.9	-165.7	57.6	164.3	0	0	110.8	D601 L605 L606 I607 P643 H710 L714	D601-M603 PolarHBondContact O-N 2.93Å; D601-M603 WeakPolarHBondContact OD1-CA 3.4Å; D601-M603 WeakPolarHBondContact OD1-CB 3.43Å; D601-M603 PolarHBondContact OD1-N 2.91Å; M603-L605 PolarHBondContact O-N 3.39Å; M603-L606 WeakPolarHBondContact O-CB 3.42Å; M603-L606 PolarHBondContact O-N 3.38Å; M603-L606 VanDerWaalsContact O-N 3.14Å; M603-L606 HydrophobicContact SD-CD1 4.38Å; M603-I607 HydrophobicContact CG-CD1 4.41Å; M603-I607 VanDerWaalsContact O-CG1 3.28Å; M603-I607 WeakPolarHBondContact O-CG1 3.45Å; M603-I607 PolarHBondContact O-N 2.81Å; M603-P643 HydrophobicContact CB-CB 3.82Å; M603-P643 HydrophobicContact CG-CB 4.42Å; M603-P643 PolarHBondContact N-O 3.29Å; M603-P643 HydrophobicContact SD-CB 3.84Å; M603-P643 HydrophobicContact SD-CG 4.19Å; M603-H710 WeakPolarHBondContact CE-CE1 3.45Å; M603-L714 HydrophobicContact CE-CD1 3.54Å; M603-L714 HydrophobicContact CE-CG 3.82Å; M603-L714 HydrophobicContact CG-CD1 4.17Å; M603-L714 HydrophobicContact CG-CD2 4.09Å; M603-L714 HydrophobicContact CG-CG 4.22Å
604	A	89.4	Confident	92.7	Very high	34 Å²	34	33.2 Å²	33.2	28%	0.281	17%	0.17	S	C	.	.	H	α-helix	trans	-57.3	-39.4	174.6	0	0	0	0	0	111.5	D601 I607 K608	D601-A604 PolarHBondContact O-N 3.19Å; D601-A604 PolarHBondContact OD1-N 3.24Å; A604-I607 PolarHBondContact O-N 2.87Å; A604-K608 VanDerWaalsContact O-CB 3.3Å; A604-K608 WeakPolarHBondContact O-CB 3.27Å; A604-K608 PolarHBondContact O-N 2.8Å
605	L	92.8	Very high	92.8	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-42.9	175.5	-174.9	57.2	0	0	0	112.7	D601 L602 M603 K608 K609 F612 M616 Y620 I648 Y830	D601-L605 PolarHBondContact O-N 2.97Å; L602-L605 HydrophobicContact CD1-CD2 4.2Å; L602-L605 PolarHBondContact O-N 2.96Å; M603-L605 PolarHBondContact O-N 3.39Å; L605-K608 PolarHBondContact O-N 2.92Å; L605-K609 HydrophobicContact CD1-CG 3.88Å; L605-K609 PolarHBondContact O-N 3.12Å; L605-F612 HydrophobicContact CB-CZ 4.38Å; L605-F612 HydrophobicContact CD2-CE2 4.43Å; L605-F612 HydrophobicContact CD2-CZ 3.89Å; L605-F612 HydrophobicContact CG-CE1 4.11Å; L605-F612 HydrophobicContact CG-CZ 3.66Å; L605-M616 HydrophobicContact CD1-CE 4.27Å; L605-M616 HydrophobicContact CD2-CE 3.73Å; L605-M616 HydrophobicContact CG-CE 4.16Å; L605-Y620 HydrophobicContact CD2-CE2 4.03Å; L605-I648 HydrophobicContact CB-CD1 4.07Å; L605-I648 HydrophobicContact CD2-CD1 3.65Å; L605-I648 HydrophobicContact CG-CD1 4.48Å; L605-Y830 HydrophobicContact CD1-CD1 3.56Å; L605-Y830 HydrophobicContact CD1-CD2 3.84Å; L605-Y830 HydrophobicContact CD1-CE1 3.61Å; L605-Y830 HydrophobicContact CD1-CE2 3.88Å; L605-Y830 HydrophobicContact CD1-CG 3.66Å; L605-Y830 HydrophobicContact CD2-CD1 3.7Å; L605-Y830 HydrophobicContact CD2-CE1 4.31Å; L605-Y830 HydrophobicContact CD2-CG 4.11Å; L605-Y830 HydrophobicContact CG-CD1 4.25Å; L605-Y830 HydrophobicContact CG-CE1 4.48Å
606	L	92.1	Very high	93	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-44.4	173.9	-76.8	171.3	0	0	0	111.4	L602 M603 K608 G610 F612 P643 E748 M749	L602-L606 WeakPolarHBondContact O-CG 3.46Å; L602-L606 PolarHBondContact O-N 2.61Å; M603-L606 WeakPolarHBondContact O-CB 3.42Å; M603-L606 PolarHBondContact O-N 3.38Å; M603-L606 VanDerWaalsContact O-N 3.14Å; M603-L606 HydrophobicContact SD-CD1 4.38Å; L606-K608 PolarHBondContact O-N 3.15Å; L606-G610 WeakPolarHBondContact O-CA 3.26Å; L606-G610 PolarHBondContact O-N 2.99Å; L606-F612 HydrophobicContact CD2-CD1 4.39Å; L606-F612 HydrophobicContact CD2-CE1 3.86Å; L606-F612 HydrophobicContact CD2-CE2 4.26Å; L606-F612 HydrophobicContact CD2-CZ 3.78Å; L606-F612 HydrophobicContact CG-CE1 4.48Å; L606-F612 HydrophobicContact CG-CZ 4.19Å; L606-P643 HydrophobicContact CD1-CB 3.74Å; L606-P643 HydrophobicContact CD1-CG 3.63Å; L606-E748 HydrophobicContact CD1-CG 4.17Å; L606-M749 HydrophobicContact CD2-CB 4.34Å; L606-M749 HydrophobicContact CD2-CG 3.78Å
607	I	88.8	Confident	93.1	Very high	33 Å²	33	33.2 Å²	33.2	17%	0.169	18%	0.18	C	C	.	.	H	α-helix	trans	-61.9	-45.9	175.9	-62.1	163.9	0	0	0	110.6	M603 A604 H710 R711 L714	M603-I607 HydrophobicContact CG-CD1 4.41Å; M603-I607 VanDerWaalsContact O-CG1 3.28Å; M603-I607 WeakPolarHBondContact O-CG1 3.45Å; M603-I607 PolarHBondContact O-N 2.81Å; A604-I607 PolarHBondContact O-N 2.87Å; I607-H710 WeakPolarHBondContact CG1-ND1 3.41Å; I607-R711 HydrophobicContact CG2-CG 4.44Å; I607-L714 HydrophobicContact CD1-CD1 3.43Å; I607-L714 VanDerWaalsContact CD1-CD1 3.43Å; I607-L714 HydrophobicContact CD1-CD2 4.15Å; I607-L714 HydrophobicContact CD1-CG 4.47Å; I607-L714 HydrophobicContact CG1-CD1 4.04Å
608	K	88.3	Confident	93.2	Very high	121 Å²	121	36.8 Å²	36.8	53%	0.526	19%	0.192	S	C	.	.	H	α-helix	trans	-64.1	-46.8	-176	-178.8	176	179.2	175.7	0	112.2	A604 L605 L606 Y830	A604-K608 VanDerWaalsContact O-CB 3.3Å; A604-K608 WeakPolarHBondContact O-CB 3.27Å; A604-K608 PolarHBondContact O-N 2.8Å; L605-K608 PolarHBondContact O-N 2.92Å; L606-K608 PolarHBondContact O-N 3.15Å; K608-Y830 PolarHBondContact NZ-OH 2.99Å
609	K	89.6	Confident	93.4	Very high	99 Å²	99	37.3 Å²	37.3	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-87.5	-28.5	-178	-64.1	-71.9	-174	170.3	0	112.6	L605 I611 F612 M616	L605-K609 HydrophobicContact CD1-CG 3.88Å; L605-K609 PolarHBondContact O-N 3.12Å; K609-I611 PolarHBondContact O-N 3.43Å; K609-F612 HydrophobicContact CB-CD1 3.85Å; K609-F612 HydrophobicContact CB-CE1 3.74Å; K609-F612 HydrophobicContact CG-CD1 4.42Å; K609-F612 HydrophobicContact CG-CE1 4.11Å; K609-M616 HydrophobicContact CG-CE 4.48Å
610	G	88.9	Confident	93.6	Very high	13 Å²	13	37.1 Å²	37.1	13%	0.134	19%	0.192	C	C	.	.	S	Bend	trans	77.1	-61.2	-176.4	0	0	0	0	0	113	L606 G752	L606-G610 WeakPolarHBondContact O-CA 3.26Å; L606-G610 PolarHBondContact O-N 2.99Å; G610-G752 VanDerWaalsContact O-CA 3.3Å; G610-G752 WeakPolarHBondContact O-CA 3.38Å
611	I	92.4	Very high	93.9	Very high	98 Å²	98	37.2 Å²	37.2	50%	0.503	19%	0.192	S	C	.	.	S	Bend	trans	-132.1	131.6	177.8	-60.7	171.8	0	0	0	107.4	K609 V750	K609-I611 PolarHBondContact O-N 3.43Å; I611-V750 WeakPolarHBondContact CG2-O 3.49Å
612	F	95.5	Very high	94.1	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.031	18%	0.184	C	C	.	.			trans	-88	146.6	173.5	-67.2	9.6	0	0	0	109	L602 L605 L606 K609 M616 A617 Y620 M749	L602-F612 HydrophobicContact CD1-CE2 4.25Å; L602-F612 HydrophobicContact CD1-CZ 4.32Å; L605-F612 HydrophobicContact CB-CZ 4.38Å; L605-F612 HydrophobicContact CD2-CE2 4.43Å; L605-F612 HydrophobicContact CD2-CZ 3.89Å; L605-F612 HydrophobicContact CG-CE1 4.11Å; L605-F612 HydrophobicContact CG-CZ 3.66Å; L606-F612 HydrophobicContact CD2-CD1 4.39Å; L606-F612 HydrophobicContact CD2-CE1 3.86Å; L606-F612 HydrophobicContact CD2-CE2 4.26Å; L606-F612 HydrophobicContact CD2-CZ 3.78Å; L606-F612 HydrophobicContact CG-CE1 4.48Å; L606-F612 HydrophobicContact CG-CZ 4.19Å; K609-F612 HydrophobicContact CB-CD1 3.85Å; K609-F612 HydrophobicContact CB-CE1 3.74Å; K609-F612 HydrophobicContact CG-CD1 4.42Å; K609-F612 HydrophobicContact CG-CE1 4.11Å; F612-M616 HydrophobicContact CB-CB 4.33Å; F612-M616 HydrophobicContact CB-CG 4.31Å; F612-M616 HydrophobicContact CB-SD 4.27Å; F612-M616 HydrophobicContact CD1-CE 4.2Å; F612-M616 HydrophobicContact CD1-SD 4.09Å; F612-M616 HydrophobicContact CD2-CE 4.05Å; F612-M616 HydrophobicContact CD2-CG 3.78Å; F612-M616 HydrophobicContact CD2-SD 4Å; F612-M616 HydrophobicContact CE1-CE 4.02Å; F612-M616 HydrophobicContact CE2-CE 3.84Å; F612-M616 HydrophobicContact CE2-CG 4.34Å; F612-M616 HydrophobicContact CE2-SD 4.4Å; F612-M616 HydrophobicContact CG-CE 4.25Å; F612-M616 HydrophobicContact CG-CG 4.09Å; F612-M616 HydrophobicContact CG-SD 3.85Å; F612-M616 HydrophobicContact CZ-CE 3.85Å; F612-A617 HydrophobicContact CB-CB 4.39Å; F612-Y620 HydrophobicContact CD2-CD2 4.34Å; F612-Y620 AromaticContact CE2-CD2 3.92Å; F612-Y620 HydrophobicContact CE2-CD2 3.92Å; F612-Y620 HydrophobicContact CE2-CE2 4.35Å; F612-M749 HydrophobicContact CB-CB 4.3Å; F612-M749 HydrophobicContact CD2-CB 4.1Å; F612-M749 HydrophobicContact CD2-CG 3.83Å; F612-M749 HydrophobicContact CD2-SD 4.12Å; F612-M749 HydrophobicContact CE2-CE 4.2Å; F612-M749 HydrophobicContact CE2-CG 4.03Å; F612-M749 HydrophobicContact CE2-SD 4.32Å; F612-M749 HydrophobicContact CG-CB 4.33Å; F612-M749 HydrophobicContact CG-CG 4.46Å; F612-M749 PolarHBondContact N-O 3.16Å
613	D	95.7	Very high	94.3	Very high	104 Å²	104	35.6 Å²	35.6	56%	0.556	18%	0.183	S	C	*	.			trans	-68.6	161.7	163.3	61.4	35.7	0	0	0	110.3	A615 M616 A617	D613-A615 PolarHBondContact O-N 3.36Å; D613-A615 PolarHBondContact OD1-N 2.78Å; D613-M616 PolarHBondContact O-N 2.83Å; D613-M616 WeakPolarHBondContact OD1-CB 3.38Å; D613-M616 PolarHBondContact OD1-N 3.21Å; D613-A617 WeakPolarHBondContact O-CB 3.33Å; D613-A617 PolarHBondContact O-N 3.22Å
614	E	96.6	Very high	94.6	Very high	50 Å²	50	35.2 Å²	35.2	23%	0.234	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-26.4	-177.1	-64.2	-169.9	-167.6	0	0	112.7	R618 L783 S784 V787 F814	E614-R618 WeakPolarHBondContact O-CB 3.38Å; E614-R618 PolarHBondContact O-N 2.79Å; E614-L783 WeakPolarHBondContact OE1-CA 3.13Å; E614-S784 PolarHBondContact OE1-N 3.01Å; E614-S784 PolarHBondContact OE1-OG 2.83Å; E614-S784 VanDerWaalsContact OE2-CB 3.23Å; E614-S784 WeakPolarHBondContact OE2-CB 3.23Å; E614-S784 PolarHBondContact OE2-OG 3.26Å; E614-V787 HydrophobicContact CB-CG2 4.42Å; E614-V787 HydrophobicContact CG-CG2 3.98Å; E614-V787 WeakPolarHBondContact OE2-CG2 3.39Å; E614-F814 HydrophobicContact CB-CE2 4.5Å
615	A	96.1	Very high	95.1	Very high	49 Å²	49	33.6 Å²	33.6	41%	0.405	17%	0.168	S	C	.	.	H	α-helix	trans	-71.6	-45.1	179.1	0	0	0	0	0	111.9	D613 R618 F619	D613-A615 PolarHBondContact O-N 3.36Å; D613-A615 PolarHBondContact OD1-N 2.78Å; A615-R618 PolarHBondContact O-N 2.84Å; A615-F619 PolarHBondContact O-N 2.75Å; A615-F619 VanDerWaalsContact O-N 3.09Å
616	M	96.4	Very high	95.3	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-65.9	-43	174.2	-178.9	176.1	-176.9	0	0	110.9	L605 K609 F612 D613 F619 Y620 P829	L605-M616 HydrophobicContact CD1-CE 4.27Å; L605-M616 HydrophobicContact CD2-CE 3.73Å; L605-M616 HydrophobicContact CG-CE 4.16Å; K609-M616 HydrophobicContact CG-CE 4.48Å; F612-M616 HydrophobicContact CB-CB 4.33Å; F612-M616 HydrophobicContact CB-CG 4.31Å; F612-M616 HydrophobicContact CB-SD 4.27Å; F612-M616 HydrophobicContact CD1-CE 4.2Å; F612-M616 HydrophobicContact CD1-SD 4.09Å; F612-M616 HydrophobicContact CD2-CE 4.05Å; F612-M616 HydrophobicContact CD2-CG 3.78Å; F612-M616 HydrophobicContact CD2-SD 4Å; F612-M616 HydrophobicContact CE1-CE 4.02Å; F612-M616 HydrophobicContact CE2-CE 3.84Å; F612-M616 HydrophobicContact CE2-CG 4.34Å; F612-M616 HydrophobicContact CE2-SD 4.4Å; F612-M616 HydrophobicContact CG-CE 4.25Å; F612-M616 HydrophobicContact CG-CG 4.09Å; F612-M616 HydrophobicContact CG-SD 3.85Å; F612-M616 HydrophobicContact CZ-CE 3.85Å; D613-M616 PolarHBondContact O-N 2.83Å; D613-M616 WeakPolarHBondContact OD1-CB 3.38Å; D613-M616 PolarHBondContact OD1-N 3.21Å; M616-F619 PolarHBondContact O-N 2.93Å; M616-Y620 HydrophobicContact CE-CD2 4.33Å; M616-Y620 HydrophobicContact CE-CE2 3.61Å; M616-Y620 HydrophobicContact CG-CD2 3.94Å; M616-Y620 HydrophobicContact CG-CE2 3.85Å; M616-Y620 WeakPolarHBondContact O-CD2 3.17Å; M616-Y620 PolarHBondContact O-N 2.96Å; M616-Y620 VanDerWaalsContact O-N 3.15Å; M616-P829 HydrophobicContact CB-CB 4.21Å; M616-P829 HydrophobicContact CG-CB 3.95Å; M616-P829 HydrophobicContact CG-CG 4.42Å
617	A	97.7	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.3	-44.7	174.7	0	0	0	0	0	111.4	F612 D613 F619 Y620 I621 L746 M749 V750	F612-A617 HydrophobicContact CB-CB 4.39Å; D613-A617 WeakPolarHBondContact O-CB 3.33Å; D613-A617 PolarHBondContact O-N 3.22Å; A617-F619 VanDerWaalsContact C-N 3.33Å; A617-F619 PolarHBondContact O-N 2.77Å; A617-Y620 PolarHBondContact O-N 3.48Å; A617-I621 WeakPolarHBondContact O-CB 3.49Å; A617-I621 VanDerWaalsContact O-CG1 3.23Å; A617-I621 WeakPolarHBondContact O-CG1 3.34Å; A617-I621 PolarHBondContact O-N 2.9Å; A617-L746 HydrophobicContact CB-CD1 4.18Å; A617-M749 HydrophobicContact CB-CB 4.14Å; A617-M749 HydrophobicContact CB-SD 4.14Å; A617-V750 HydrophobicContact CB-CG1 3.76Å
618	R	98.1	Very high	95.8	Very high	83 Å²	83	32.1 Å²	32.1	31%	0.313	16%	0.161	S	C	.	.	H	α-helix	trans	-56.7	-45.3	176.1	-180	171.2	57.6	-120.3	-2	112.2	E614 A615 A622 F814 F815 V818	E614-R618 WeakPolarHBondContact O-CB 3.38Å; E614-R618 PolarHBondContact O-N 2.79Å; A615-R618 PolarHBondContact O-N 2.84Å; R618-A622 VanDerWaalsContact O-CB 3.22Å; R618-A622 WeakPolarHBondContact O-CB 3.23Å; R618-A622 PolarHBondContact O-N 3.24Å; R618-F814 HydrophobicContact CB-CE1 3.82Å; R618-F814 HydrophobicContact CB-CE2 4.12Å; R618-F814 HydrophobicContact CB-CZ 3.51Å; R618-F814 WeakPolarHBondContact CD-O 3.45Å; R618-F814 HydrophobicContact CG-CE1 4.11Å; R618-F814 HydrophobicContact CG-CZ 4.18Å; R618-F815 HydrophobicContact CG-CD1 4.08Å; R618-V818 HydrophobicContact CG-CG2 4.16Å
619	F	97.7	Very high	96.2	Very high	23 Å²	23	27.9 Å²	27.9	10%	0.101	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-56	178.1	-179.3	-88.3	0	0	0	111.8	A615 M616 A617 I621 A622 E623 H653 L826 A828 P829	A615-F619 PolarHBondContact O-N 2.75Å; A615-F619 VanDerWaalsContact O-N 3.09Å; M616-F619 PolarHBondContact O-N 2.93Å; A617-F619 VanDerWaalsContact C-N 3.33Å; A617-F619 PolarHBondContact O-N 2.77Å; F619-I621 VanDerWaalsContact C-N 3.35Å; F619-I621 PolarHBondContact O-N 2.88Å; F619-A622 PolarHBondContact O-N 2.96Å; F619-E623 HydrophobicContact CD1-CG 4.46Å; F619-E623 HydrophobicContact CE1-CG 4.09Å; F619-E623 HydrophobicContact CZ-CG 4.34Å; F619-E623 PolarHBondContact O-N 3.23Å; F619-H653 AromaticContact CZ-CE1 3.67Å; F619-H653 AromaticContact CZ-ND1 3.64Å; F619-L826 HydrophobicContact CE2-CB 4.33Å; F619-A828 HydrophobicContact CE1-CB 3.97Å; F619-A828 HydrophobicContact CZ-CB 4.03Å; F619-P829 HydrophobicContact CB-CG 3.77Å; F619-P829 HydrophobicContact CD1-CG 3.88Å; F619-P829 HydrophobicContact CD2-CG 4.28Å; F619-P829 VanDerWaalsContact CG-CD 3.49Å; F619-P829 HydrophobicContact CG-CG 3.7Å
620	Y	98.2	Very high	96.4	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-34.9	-176.4	-76.5	-58.8	0	0	0	113.2	L605 F612 M616 A617 L624 G652 I654 Y830	L605-Y620 HydrophobicContact CD2-CE2 4.03Å; F612-Y620 HydrophobicContact CD2-CD2 4.34Å; F612-Y620 AromaticContact CE2-CD2 3.92Å; F612-Y620 HydrophobicContact CE2-CD2 3.92Å; F612-Y620 HydrophobicContact CE2-CE2 4.35Å; M616-Y620 HydrophobicContact CE-CD2 4.33Å; M616-Y620 HydrophobicContact CE-CE2 3.61Å; M616-Y620 HydrophobicContact CG-CD2 3.94Å; M616-Y620 HydrophobicContact CG-CE2 3.85Å; M616-Y620 WeakPolarHBondContact O-CD2 3.17Å; M616-Y620 PolarHBondContact O-N 2.96Å; M616-Y620 VanDerWaalsContact O-N 3.15Å; A617-Y620 PolarHBondContact O-N 3.48Å; Y620-L624 VanDerWaalsContact O-CB 3.27Å; Y620-L624 WeakPolarHBondContact O-CB 3.4Å; Y620-L624 PolarHBondContact O-N 3.33Å; Y620-G652 WeakPolarHBondContact CE1-O 3.36Å; Y620-G652 PolarHBondContact OH-O 3.22Å; Y620-I654 HydrophobicContact CD1-CG2 3.52Å; Y620-I654 HydrophobicContact CE1-CG2 3.8Å; Y620-Y830 PolarHBondContact OH-O 3.29Å
621	I	98.4	Very high	96.5	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-70.7	-37.5	174.9	-63.8	-60.9	0	0	0	111.1	A617 F619 E623 L624 V625 V742 I745 L746 M749 F815	A617-I621 WeakPolarHBondContact O-CB 3.49Å; A617-I621 VanDerWaalsContact O-CG1 3.23Å; A617-I621 WeakPolarHBondContact O-CG1 3.34Å; A617-I621 PolarHBondContact O-N 2.9Å; F619-I621 VanDerWaalsContact C-N 3.35Å; F619-I621 PolarHBondContact O-N 2.88Å; I621-E623 PolarHBondContact O-N 2.62Å; I621-L624 HydrophobicContact CD1-CD2 4.26Å; I621-L624 PolarHBondContact O-N 3.39Å; I621-V625 HydrophobicContact CG2-CG2 4.39Å; I621-V625 VanDerWaalsContact O-CG2 3.27Å; I621-V625 WeakPolarHBondContact O-CG2 3.17Å; I621-V625 PolarHBondContact O-N 2.77Å; I621-V742 HydrophobicContact CD1-CG1 4.31Å; I621-V742 HydrophobicContact CG2-CG1 4.03Å; I621-I745 HydrophobicContact CD1-CG2 4.13Å; I621-L746 HydrophobicContact CD1-CB 3.89Å; I621-L746 HydrophobicContact CG1-CB 4.02Å; I621-L746 HydrophobicContact CG1-CD1 3.96Å; I621-L746 HydrophobicContact CG1-CG 4.45Å; I621-M749 HydrophobicContact CD1-CE 4.01Å; I621-M749 HydrophobicContact CD1-SD 3.79Å; I621-M749 HydrophobicContact CG1-CE 4.47Å; I621-M749 HydrophobicContact CG1-SD 3.82Å; I621-F815 HydrophobicContact CB-CE1 4.38Å; I621-F815 HydrophobicContact CG2-CE1 3.99Å; I621-F815 HydrophobicContact CG2-CZ 3.7Å
622	A	98.4	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.3	-44.8	174.1	0	0	0	0	0	111.4	R618 F619 L624 V625 C626 F815 V818 W820 L823	R618-A622 VanDerWaalsContact O-CB 3.22Å; R618-A622 WeakPolarHBondContact O-CB 3.23Å; R618-A622 PolarHBondContact O-N 3.24Å; F619-A622 PolarHBondContact O-N 2.96Å; A622-L624 VanDerWaalsContact C-N 3.35Å; A622-L624 PolarHBondContact O-N 2.97Å; A622-V625 PolarHBondContact O-N 2.99Å; A622-C626 PolarHBondContact O-N 3.07Å; A622-F815 HydrophobicContact CB-CD1 4.09Å; A622-F815 HydrophobicContact CB-CE1 4.11Å; A622-V818 HydrophobicContact CB-CG1 4.01Å; A622-W820 HydrophobicContact CB-CH2 4.04Å; A622-W820 HydrophobicContact CB-CZ3 3.9Å; A622-W820 WeakPolarHBondContact O-CZ3 3.22Å; A622-L823 HydrophobicContact CB-CD1 4.03Å; A622-L823 HydrophobicContact CB-CD2 4.2Å
623	E	98.2	Very high	96.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62	-42.5	173.3	-66.1	-153.7	134.5	0	0	112.3	W576 F619 I621 V625 C626 A627 H653 I654 L823	W576-E623 HydrophobicContact CH2-CB 4.43Å; W576-E623 HydrophobicContact CH2-CG 4.42Å; W576-E623 HydrophobicContact CZ3-CB 3.84Å; W576-E623 HydrophobicContact CZ3-CG 4.11Å; F619-E623 HydrophobicContact CD1-CG 4.46Å; F619-E623 HydrophobicContact CE1-CG 4.09Å; F619-E623 HydrophobicContact CZ-CG 4.34Å; F619-E623 PolarHBondContact O-N 3.23Å; I621-E623 PolarHBondContact O-N 2.62Å; E623-V625 VanDerWaalsContact C-N 3.28Å; E623-V625 PolarHBondContact O-N 3.48Å; E623-C626 WeakPolarHBondContact O-CB 3.23Å; E623-C626 PolarHBondContact O-N 3.43Å; E623-A627 WeakPolarHBondContact O-CB 3.28Å; E623-A627 PolarHBondContact O-N 2.85Å; E623-H653 IonicContact OE1-CE1 3.73Å; E623-H653 IonicContact OE1-CG 3.68Å; E623-H653 IonicContact OE1-ND1 2.86Å; E623-H653 PolarHBondContact OE1-ND1 3.37Å; E623-H653 IonicContact OE2-ND1 2.77Å; E623-I654 HydrophobicContact CB-CD1 3.76Å; E623-I654 HydrophobicContact CB-CG1 3.73Å; E623-I654 PolarHBondContact OE2-N 3.13Å; E623-L823 HydrophobicContact CG-CD1 4.47Å
624	L	98.2	Very high	95.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-63.6	-36.7	179.3	-175.6	58.2	0	0	0	111.5	Y620 I621 A622 A627 V628 I641 I646 I654 L656 V742 I745	Y620-L624 VanDerWaalsContact O-CB 3.27Å; Y620-L624 WeakPolarHBondContact O-CB 3.4Å; Y620-L624 PolarHBondContact O-N 3.33Å; I621-L624 HydrophobicContact CD1-CD2 4.26Å; I621-L624 PolarHBondContact O-N 3.39Å; A622-L624 VanDerWaalsContact C-N 3.35Å; A622-L624 PolarHBondContact O-N 2.97Å; L624-A627 PolarHBondContact O-N 3.05Å; L624-V628 HydrophobicContact CD1-CG2 4.02Å; L624-V628 HydrophobicContact CG-CG2 4.33Å; L624-V628 WeakPolarHBondContact O-CB 3.16Å; L624-V628 VanDerWaalsContact O-CG2 3.3Å; L624-V628 WeakPolarHBondContact O-CG2 3.21Å; L624-V628 PolarHBondContact O-N 3.02Å; L624-I641 HydrophobicContact CD1-CG2 4.45Å; L624-I646 HydrophobicContact CD1-CD1 3.78Å; L624-I646 HydrophobicContact CD1-CG1 4.22Å; L624-I646 HydrophobicContact CD2-CD1 3.93Å; L624-I654 HydrophobicContact CB-CD1 3.86Å; L624-I654 HydrophobicContact CD1-CD1 4.19Å; L624-L656 HydrophobicContact CD1-CD2 3.92Å; L624-V742 HydrophobicContact CD2-CB 4.47Å; L624-V742 HydrophobicContact CD2-CG1 4.27Å; L624-V742 HydrophobicContact CD2-CG2 3.91Å; L624-V742 HydrophobicContact CG-CG2 4.03Å; L624-I745 HydrophobicContact CD2-CD1 4.06Å; L624-I745 HydrophobicContact CD2-CG2 4.48Å
625	V	98.3	Very high	95.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-48.1	173.2	168	0	0	0	0	111	I621 A622 E623 A627 E629 W739 V806 I809 K810 W820	I621-V625 HydrophobicContact CG2-CG2 4.39Å; I621-V625 VanDerWaalsContact O-CG2 3.27Å; I621-V625 WeakPolarHBondContact O-CG2 3.17Å; I621-V625 PolarHBondContact O-N 2.77Å; A622-V625 PolarHBondContact O-N 2.99Å; E623-V625 VanDerWaalsContact C-N 3.28Å; E623-V625 PolarHBondContact O-N 3.48Å; V625-A627 VanDerWaalsContact C-N 3.31Å; V625-A627 PolarHBondContact O-N 2.94Å; V625-E629 WeakPolarHBondContact O-CB 3.1Å; V625-E629 PolarHBondContact O-N 3.39Å; V625-W739 HydrophobicContact CB-CZ3 4.28Å; V625-W739 HydrophobicContact CG1-CH2 4.16Å; V625-W739 HydrophobicContact CG1-CZ3 4.23Å; V625-W739 HydrophobicContact CG2-CZ3 4.03Å; V625-V806 HydrophobicContact CG1-CG2 4.02Å; V625-I809 HydrophobicContact CG1-CG2 4.28Å; V625-I809 HydrophobicContact CG2-CG2 3.82Å; V625-K810 HydrophobicContact CG1-CG 4.14Å; V625-W820 HydrophobicContact CB-CH2 4.43Å; V625-W820 HydrophobicContact CB-CZ3 4.03Å; V625-W820 HydrophobicContact CG1-CH2 4.25Å; V625-W820 HydrophobicContact CG1-CZ3 3.9Å
626	C	97.3	Very high	94.7	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.061	11%	0.105	C	C	.	.	H	α-helix	trans	-61.6	-39.6	175.3	-75	0	0	0	0	112.5	W576 A622 E623 S630	W576-C626 HydrophobicContact CD2-CB 4.17Å; W576-C626 HydrophobicContact CE3-CB 4.49Å; W576-C626 HydrophobicContact CH2-CB 3.83Å; W576-C626 HydrophobicContact CZ2-CB 3.43Å; W576-C626 VanDerWaalsContact CZ2-CB 3.43Å; W576-C626 HydrophobicContact CZ3-CB 4.34Å; A622-C626 PolarHBondContact O-N 3.07Å; E623-C626 WeakPolarHBondContact O-CB 3.23Å; E623-C626 PolarHBondContact O-N 3.43Å; C626-S630 WeakPolarHBondContact O-CB 3.39Å; C626-S630 PolarHBondContact O-N 3.39Å
627	A	96.7	Very high	94.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.3	-49.7	-179.8	0	0	0	0	0	112.2	W576 E623 L624 V625 S630 V631 L656	W576-A627 HydrophobicContact CB-CB 3.75Å; W576-A627 HydrophobicContact CD2-CB 4.27Å; W576-A627 HydrophobicContact CE3-CB 4.12Å; W576-A627 HydrophobicContact CG-CB 4.15Å; E623-A627 WeakPolarHBondContact O-CB 3.28Å; E623-A627 PolarHBondContact O-N 2.85Å; L624-A627 PolarHBondContact O-N 3.05Å; V625-A627 VanDerWaalsContact C-N 3.31Å; V625-A627 PolarHBondContact O-N 2.94Å; A627-S630 WeakPolarHBondContact O-CB 3.17Å; A627-S630 PolarHBondContact O-N 3.48Å; A627-S630 PolarHBondContact O-OG 3.18Å; A627-V631 PolarHBondContact O-N 3.38Å; A627-L656 HydrophobicContact CB-CD1 3.73Å; A627-L656 HydrophobicContact CB-CG 3.91Å
628	V	95.9	Very high	93.8	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-43.2	176.9	172.3	0	0	0	0	110.9	L624 S630 V631 H632 I641 L656 D738 W739 V742	L624-V628 HydrophobicContact CD1-CG2 4.02Å; L624-V628 HydrophobicContact CG-CG2 4.33Å; L624-V628 WeakPolarHBondContact O-CB 3.16Å; L624-V628 VanDerWaalsContact O-CG2 3.3Å; L624-V628 WeakPolarHBondContact O-CG2 3.21Å; L624-V628 PolarHBondContact O-N 3.02Å; V628-S630 VanDerWaalsContact C-N 3.27Å; V628-S630 PolarHBondContact O-N 3.44Å; V628-V631 WeakPolarHBondContact O-CB 2.97Å; V628-V631 PolarHBondContact O-N 3.01Å; V628-V631 VanDerWaalsContact O-N 3.13Å; V628-H632 WeakPolarHBondContact CG1-CE1 3.43Å; V628-H632 PolarHBondContact O-N 3.03Å; V628-I641 HydrophobicContact CG2-CD1 3.89Å; V628-I641 HydrophobicContact CG2-CG1 4.28Å; V628-L656 HydrophobicContact CG2-CD1 4.44Å; V628-D738 HydrophobicContact CG1-CB 3.83Å; V628-W739 HydrophobicContact CB-CH2 3.91Å; V628-W739 HydrophobicContact CB-CZ3 3.91Å; V628-W739 HydrophobicContact CG1-CD2 4.46Å; V628-W739 HydrophobicContact CG1-CE3 4.18Å; V628-W739 HydrophobicContact CG1-CH2 3.69Å; V628-W739 HydrophobicContact CG1-CZ2 4.01Å; V628-W739 HydrophobicContact CG1-CZ3 3.78Å; V628-V742 HydrophobicContact CG2-CG2 4.25Å
629	E	95.1	Very high	93.3	Very high	31 Å²	31	20.4 Å²	20.4	15%	0.145	10%	0.101	C	C	.	.	H	α-helix	trans	-57.9	-41.4	174.6	-173.2	-163.9	-177.4	0	0	111.5	V625 V631 H632 R633 V806 K810	V625-E629 WeakPolarHBondContact O-CB 3.1Å; V625-E629 PolarHBondContact O-N 3.39Å; E629-V631 VanDerWaalsContact C-N 3.29Å; E629-V631 PolarHBondContact O-N 2.99Å; E629-H632 PolarHBondContact O-N 3.21Å; E629-R633 WeakPolarHBondContact O-CB 3.38Å; E629-R633 PolarHBondContact O-N 3.42Å; E629-R633 IonicContact OE1-CZ 3.46Å; E629-R633 IonicContact OE1-NH2 3.95Å; E629-R633 PolarHBondContact OE1-NH2 2.92Å; E629-R633 IonicContact OE2-NH2 3.37Å; E629-R633 PolarHBondContact OE2-NH2 3.17Å; E629-V806 HydrophobicContact CB-CG2 4.11Å; E629-V806 HydrophobicContact CG-CB 4.3Å; E629-V806 HydrophobicContact CG-CG1 4.03Å; E629-V806 HydrophobicContact CG-CG2 3.98Å; E629-V806 WeakPolarHBondContact OE1-CG1 3.47Å; E629-K810 IonicContact OE1-NZ 3.38Å; E629-K810 PolarHBondContact OE1-NZ 2.9Å; E629-K810 WeakPolarHBondContact OE2-CE 3.44Å; E629-K810 IonicContact OE2-NZ 3.24Å; E629-K810 PolarHBondContact OE2-NZ 2.97Å
630	S	93.8	Very high	92.9	Very high	5 Å²	5	20.5 Å²	20.5	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-37.1	178.6	84.5	0	0	0	0	112.2	C626 A627 V628 L634	C626-S630 WeakPolarHBondContact O-CB 3.39Å; C626-S630 PolarHBondContact O-N 3.39Å; A627-S630 WeakPolarHBondContact O-CB 3.17Å; A627-S630 PolarHBondContact O-N 3.48Å; A627-S630 PolarHBondContact O-OG 3.18Å; V628-S630 VanDerWaalsContact C-N 3.27Å; V628-S630 PolarHBondContact O-N 3.44Å; S630-L634 WeakPolarHBondContact O-CG 3.28Å; S630-L634 PolarHBondContact O-N 3.05Å
631	V	92.1	Very high	92.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-67.2	-45.5	174.8	169.9	0	0	0	0	110.6	I568 V577 A627 V628 E629 R633 L634 F636 H638 L656 F659	I568-V631 HydrophobicContact CD1-CB 4.46Å; I568-V631 HydrophobicContact CD1-CG1 3.78Å; I568-V631 HydrophobicContact CD1-CG2 4.29Å; V577-V631 HydrophobicContact CG2-CG2 4.02Å; A627-V631 PolarHBondContact O-N 3.38Å; V628-V631 WeakPolarHBondContact O-CB 2.97Å; V628-V631 PolarHBondContact O-N 3.01Å; V628-V631 VanDerWaalsContact O-N 3.13Å; E629-V631 VanDerWaalsContact C-N 3.29Å; E629-V631 PolarHBondContact O-N 2.99Å; V631-R633 VanDerWaalsContact C-N 3.32Å; V631-R633 PolarHBondContact O-N 3.45Å; V631-L634 WeakPolarHBondContact O-CB 3.43Å; V631-L634 PolarHBondContact O-N 3.38Å; V631-L634 VanDerWaalsContact O-N 3.14Å; V631-F636 HydrophobicContact CG1-CB 3.97Å; V631-F636 PolarHBondContact O-N 3.24Å; V631-H638 HydrophobicContact CG1-CB 4.47Å; V631-L656 HydrophobicContact CG2-CD1 3.98Å; V631-F659 HydrophobicContact CG2-CE1 3.9Å
632	H	91.6	Very high	92.4	Very high	19 Å²	19	22.7 Å²	22.7	9%	0.088	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-38.3	177	-66.4	174.9	0	0	0	112.2	V628 E629 L634 G635 F636 Q735 D738 W739	V628-H632 WeakPolarHBondContact CG1-CE1 3.43Å; V628-H632 PolarHBondContact O-N 3.03Å; E629-H632 PolarHBondContact O-N 3.21Å; H632-L634 PolarHBondContact O-N 3.43Å; H632-G635 WeakPolarHBondContact O-CA 3.43Å; H632-G635 PolarHBondContact O-N 3.06Å; H632-F636 WeakPolarHBondContact CA-O 3.06Å; H632-F636 PolarHBondContact CD2-O 3.07Å; H632-F636 VanDerWaalsContact CD2-O 3.31Å; H632-Q735 PolarHBondContact CE1-O 3.36Å; H632-Q735 PolarHBondContact ND1-NE2 3.48Å; H632-D738 IonicContact CD2-OD2 3.5Å; H632-D738 IonicContact CE1-OD2 3.85Å; H632-D738 IonicContact NE2-OD2 2.97Å; H632-D738 PolarHBondContact NE2-OD2 3.14Å; H632-W739 AromaticContact CE1-CE2 3.93Å; H632-W739 AromaticContact CE1-NE1 3.94Å; H632-W739 AromaticContact ND1-CZ2 3.9Å
633	R	91	Very high	92.2	Very high	172 Å²	172	22.7 Å²	22.7	65%	0.649	11%	0.112	S	C	*	.	H	α-helix	trans	-65.3	-26.1	177.2	-163.5	-178.6	-60	132.2	-1.2	112.8	E629 V631 G635	E629-R633 WeakPolarHBondContact O-CB 3.38Å; E629-R633 PolarHBondContact O-N 3.42Å; E629-R633 IonicContact OE1-CZ 3.46Å; E629-R633 IonicContact OE1-NH2 3.95Å; E629-R633 PolarHBondContact OE1-NH2 2.92Å; E629-R633 IonicContact OE2-NH2 3.37Å; E629-R633 PolarHBondContact OE2-NH2 3.17Å; V631-R633 VanDerWaalsContact C-N 3.32Å; V631-R633 PolarHBondContact O-N 3.45Å; R633-G635 PolarHBondContact O-N 2.87Å
634	L	86.2	Confident	91.7	Very high	44 Å²	44	25.2 Å²	25.2	23%	0.23	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.2	171.3	-65	170.1	0	0	0	112.8	I568 E571 A572 S630 V631 H632 F636	I568-L634 HydrophobicContact CG1-CD1 4.27Å; E571-L634 HydrophobicContact CG-CD2 4.39Å; A572-L634 HydrophobicContact CB-CD1 3.8Å; S630-L634 WeakPolarHBondContact O-CG 3.28Å; S630-L634 PolarHBondContact O-N 3.05Å; V631-L634 WeakPolarHBondContact O-CB 3.43Å; V631-L634 PolarHBondContact O-N 3.38Å; V631-L634 VanDerWaalsContact O-N 3.14Å; H632-L634 PolarHBondContact O-N 3.43Å; L634-F636 HydrophobicContact CB-CD2 3.79Å; L634-F636 HydrophobicContact CB-CE2 4.26Å; L634-F636 VanDerWaalsContact O-CD2 3.28Å; L634-F636 WeakPolarHBondContact O-CD2 3.33Å; L634-F636 WeakPolarHBondContact O-CE2 3.41Å
635	G	83.5	Confident	91.4	Very high	45 Å²	45	25.7 Å²	25.7	46%	0.464	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	19.8	179.3	0	0	0	0	0	114.3	H632 R633	H632-G635 WeakPolarHBondContact O-CA 3.43Å; H632-G635 PolarHBondContact O-N 3.06Å; R633-G635 PolarHBondContact O-N 2.87Å
636	F	86	Confident	91.3	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.013	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.8	179.8	-66.7	-91.6	0	0	0	111.4	D567 I568 V631 H632 L634 H669	D567-F636 HydrophobicContact CB-CZ 4.27Å; I568-F636 HydrophobicContact CB-CD1 4.16Å; I568-F636 HydrophobicContact CB-CD2 4.09Å; I568-F636 HydrophobicContact CB-CE1 4.04Å; I568-F636 HydrophobicContact CB-CE2 3.98Å; I568-F636 HydrophobicContact CB-CG 4.18Å; I568-F636 HydrophobicContact CB-CZ 3.95Å; I568-F636 HydrophobicContact CD1-CB 3.74Å; I568-F636 HydrophobicContact CD1-CD1 4.38Å; I568-F636 HydrophobicContact CD1-CD2 3.87Å; I568-F636 HydrophobicContact CD1-CG 3.75Å; I568-F636 HydrophobicContact CG1-CD2 3.83Å; I568-F636 HydrophobicContact CG1-CE2 4.08Å; I568-F636 HydrophobicContact CG1-CG 4.11Å; V631-F636 HydrophobicContact CG1-CB 3.97Å; V631-F636 PolarHBondContact O-N 3.24Å; H632-F636 WeakPolarHBondContact CA-O 3.06Å; H632-F636 PolarHBondContact CD2-O 3.07Å; H632-F636 VanDerWaalsContact CD2-O 3.31Å; L634-F636 HydrophobicContact CB-CD2 3.79Å; L634-F636 HydrophobicContact CB-CE2 4.26Å; L634-F636 VanDerWaalsContact O-CD2 3.28Å; L634-F636 WeakPolarHBondContact O-CD2 3.33Å; L634-F636 WeakPolarHBondContact O-CE2 3.41Å; F636-H669 AromaticContact CE1-CE1 3.54Å
637	I	86.7	Confident	91.3	Very high	22 Å²	22	26.5 Å²	26.5	11%	0.113	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.5	168.1	-55.9	169.2	0	0	0	106.9	R639 C662 T663 Y733 Q735 D738	I637-R639 HydrophobicContact CB-CG 4.38Å; I637-R639 HydrophobicContact CG2-CG 3.75Å; I637-C662 VanDerWaalsContact O-CA 3.32Å; I637-C662 WeakPolarHBondContact O-CA 3.45Å; I637-T663 HydrophobicContact CB-CG2 4.23Å; I637-T663 PolarHBondContact N-O 3.38Å; I637-T663 PolarHBondContact O-N 3.28Å; I637-T663 VanDerWaalsContact O-N 3.12Å; I637-Y733 HydrophobicContact CD1-CD2 4.46Å; I637-Y733 HydrophobicContact CD1-CE2 4.31Å; I637-Q735 HydrophobicContact CD1-CB 4.47Å; I637-Q735 HydrophobicContact CG1-CB 4.01Å; I637-D738 WeakPolarHBondContact CG2-OD2 3.4Å
638	H	88.8	Confident	91.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	13%	0.132	C	C	.	.			trans	-73.7	-46.9	-172.8	-167.4	-74.8	0	0	0	112.2	V631 D640 I641 F659 L661 C662 D738	V631-H638 HydrophobicContact CG1-CB 4.47Å; H638-D640 PolarHBondContact CE1-O 3.48Å; H638-D640 VanDerWaalsContact CE1-O 3.25Å; H638-D640 PolarHBondContact ND1-N 3.06Å; H638-D640 PolarHBondContact ND1-O 3.08Å; H638-D640 PolarHBondContact O-N 3.21Å; H638-I641 HydrophobicContact CB-CD1 3.61Å; H638-I641 HydrophobicContact CB-CG1 3.74Å; H638-I641 WeakPolarHBondContact ND1-CD1 3.34Å; H638-I641 PolarHBondContact ND1-N 2.88Å; H638-F659 AromaticContact CD2-CD1 3.66Å; H638-F659 AromaticContact CD2-CE1 3.55Å; H638-F659 AromaticContact NE2-CD1 3.87Å; H638-F659 AromaticContact NE2-CE1 3.84Å; H638-L661 CarbonylContact O-C 3.52Å; H638-C662 WeakPolarHBondContact CA-SG 3.5Å; H638-C662 PolarHBondContact O-SG 3.36Å; H638-D738 PolarHBondContact N-OD1 3.08Å; H638-D738 PolarHBondContact N-OD2 2.91Å
639	R	88.1	Confident	91.2	Very high	50 Å²	50	27.4 Å²	27.4	19%	0.189	14%	0.136	C	C	.	.	S	Bend	trans	65.6	-16.7	-179.5	-55	-169.1	-63.8	173.2	1.1	116.9	H561 I637 L661 Y733 D738	H561-R639 PolarHBondContact CD2-NH2 2.92Å; H561-R639 PolarHBondContact NE2-NH2 3.27Å; I637-R639 HydrophobicContact CB-CG 4.38Å; I637-R639 HydrophobicContact CG2-CG 3.75Å; R639-L661 PolarHBondContact NE-O 3.09Å; R639-L661 PolarHBondContact NH2-O 3.46Å; R639-Y733 VanDerWaalsContact CD-CZ 3.46Å; R639-Y733 WeakPolarHBondContact CD-OH 3.5Å; R639-Y733 HydrophobicContact CG-CE2 4.06Å; R639-Y733 PolarHBondContact NH1-OH 3.42Å; R639-D738 PolarHBondContact N-OD1 3.41Å
640	D	88.8	Confident	91.1	Very high	24 Å²	24	33.2 Å²	33.2	13%	0.128	16%	0.157	C	C	.	.			trans	-128.3	44.7	179.1	-166	33	0	0	0	112.4	H638 K642 N645 L661	H638-D640 PolarHBondContact CE1-O 3.48Å; H638-D640 VanDerWaalsContact CE1-O 3.25Å; H638-D640 PolarHBondContact ND1-N 3.06Å; H638-D640 PolarHBondContact ND1-O 3.08Å; H638-D640 PolarHBondContact O-N 3.21Å; D640-K642 VanDerWaalsContact CG-NZ 3.27Å; D640-K642 PolarHBondContact O-N 2.95Å; D640-K642 IonicContact OD1-NZ 2.77Å; D640-K642 PolarHBondContact OD1-NZ 2.93Å; D640-K642 IonicContact OD2-NZ 3.11Å; D640-K642 PolarHBondContact OD2-NZ 3.39Å; D640-N645 PolarHBondContact O-ND2 2.72Å; D640-N645 PolarHBondContact OD2-ND2 3.44Å; D640-L661 HydrophobicContact CB-CB 3.99Å; D640-L661 HydrophobicContact CB-CD1 3.84Å; D640-L661 HydrophobicContact CB-CG 4.37Å
641	I	93.1	Very high	91.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.18	C	C	.	.			trans	-72.5	114.4	173.7	-62.7	-66.9	0	0	0	107.9	L624 V628 H638 L656 Y722 D738 S741 V742 I745	L624-I641 HydrophobicContact CD1-CG2 4.45Å; V628-I641 HydrophobicContact CG2-CD1 3.89Å; V628-I641 HydrophobicContact CG2-CG1 4.28Å; H638-I641 HydrophobicContact CB-CD1 3.61Å; H638-I641 HydrophobicContact CB-CG1 3.74Å; H638-I641 WeakPolarHBondContact ND1-CD1 3.34Å; H638-I641 PolarHBondContact ND1-N 2.88Å; I641-L656 HydrophobicContact CD1-CD1 4.19Å; I641-L656 HydrophobicContact CD1-CD2 4.07Å; I641-Y722 WeakPolarHBondContact O-CB 3.31Å; I641-D738 HydrophobicContact CG1-CB 4.18Å; I641-S741 WeakPolarHBondContact O-CB 3.22Å; I641-V742 HydrophobicContact CG2-CG2 4.49Å; I641-I745 HydrophobicContact CG2-CD1 3.72Å
642	K	92.4	Very high	91.3	Very high	47 Å²	47	37.6 Å²	37.6	20%	0.204	18%	0.18	C	C	.	.			trans	-153.5	160.6	178	63.9	-175.6	-178.6	-132.8	0	109.8	D640 D644 N645 I646 Y722	D640-K642 VanDerWaalsContact CG-NZ 3.27Å; D640-K642 PolarHBondContact O-N 2.95Å; D640-K642 IonicContact OD1-NZ 2.77Å; D640-K642 PolarHBondContact OD1-NZ 2.93Å; D640-K642 IonicContact OD2-NZ 3.11Å; D640-K642 PolarHBondContact OD2-NZ 3.39Å; K642-D644 HydrophobicContact CD-CB 4.49Å; K642-D644 HydrophobicContact CG-CB 4.34Å; K642-D644 PolarHBondContact O-N 3.41Å; K642-N645 WeakPolarHBondContact CE-ND2 3.31Å; K642-N645 HydrophobicContact CG-CB 4.17Å; K642-N645 PolarHBondContact O-N 3.25Å; K642-I646 WeakPolarHBondContact O-CG1 3.43Å; K642-Y722 HydrophobicContact CB-CD2 3.49Å; K642-Y722 VanDerWaalsContact CB-CD2 3.49Å; K642-Y722 HydrophobicContact CB-CE2 3.87Å; K642-Y722 HydrophobicContact CB-CG 3.92Å
643	P	93.4	Very high	91.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56.6	-32.6	-176.9	-27	37	0	0	0	114.6	L602 M603 L606 N645 I646 Y722 I745	L602-P643 HydrophobicContact CB-CB 4.24Å; L602-P643 WeakPolarHBondContact CB-O 3.44Å; L602-P643 HydrophobicContact CG-CB 4.38Å; L602-P643 PolarHBondContact N-O 3.1Å; M603-P643 HydrophobicContact CB-CB 3.82Å; M603-P643 HydrophobicContact CG-CB 4.42Å; M603-P643 PolarHBondContact N-O 3.29Å; M603-P643 HydrophobicContact SD-CB 3.84Å; M603-P643 HydrophobicContact SD-CG 4.19Å; L606-P643 HydrophobicContact CD1-CB 3.74Å; L606-P643 HydrophobicContact CD1-CG 3.63Å; P643-N645 VanDerWaalsContact C-N 3.28Å; P643-N645 PolarHBondContact O-N 3.46Å; P643-I646 PolarHBondContact O-N 2.91Å; P643-Y722 HydrophobicContact CG-CE1 4.06Å; P643-I745 HydrophobicContact CG-CG1 4.15Å
644	D	88.9	Confident	91.8	Very high	54 Å²	54	29.1 Å²	29.1	29%	0.289	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-67	-27.6	178.8	-43	-102.2	0	0	0	113	K642 I646	K642-D644 HydrophobicContact CD-CB 4.49Å; K642-D644 HydrophobicContact CG-CB 4.34Å; K642-D644 PolarHBondContact O-N 3.41Å; D644-I646 VanDerWaalsContact C-N 3.33Å
645	N	92	Very high	92.3	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.059	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-92.9	7.7	-179.7	-69.7	-10.5	0	0	0	112.6	D640 K642 P643 T657	D640-N645 PolarHBondContact O-ND2 2.72Å; D640-N645 PolarHBondContact OD2-ND2 3.44Å; K642-N645 WeakPolarHBondContact CE-ND2 3.31Å; K642-N645 HydrophobicContact CG-CB 4.17Å; K642-N645 PolarHBondContact O-N 3.25Å; P643-N645 VanDerWaalsContact C-N 3.28Å; P643-N645 PolarHBondContact O-N 3.46Å; N645-T657 WeakPolarHBondContact O-CG2 3.43Å; N645-T657 PolarHBondContact O-N 2.89Å
646	I	95.9	Very high	92.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	99.2	178.3	-59.6	164.6	0	0	0	107.5	D601 L602 L624 K642 P643 D644 I654 L656 I745	D601-I646 CarbonylContact C-O 3.48Å; D601-I646 VanDerWaalsContact CA-O 3.3Å; D601-I646 WeakPolarHBondContact CA-O 3.37Å; L602-I646 HydrophobicContact CB-CB 3.9Å; L602-I646 HydrophobicContact CB-CG2 4.04Å; L602-I646 HydrophobicContact CD2-CB 4.15Å; L602-I646 HydrophobicContact CD2-CD1 3.71Å; L602-I646 HydrophobicContact CD2-CG2 4.02Å; L602-I646 PolarHBondContact N-O 2.86Å; L624-I646 HydrophobicContact CD1-CD1 3.78Å; L624-I646 HydrophobicContact CD1-CG1 4.22Å; L624-I646 HydrophobicContact CD2-CD1 3.93Å; K642-I646 WeakPolarHBondContact O-CG1 3.43Å; P643-I646 PolarHBondContact O-N 2.91Å; D644-I646 VanDerWaalsContact C-N 3.33Å; I646-I654 HydrophobicContact CG2-CB 3.65Å; I646-I654 HydrophobicContact CG2-CD1 3.99Å; I646-I654 HydrophobicContact CG2-CG1 4.39Å; I646-I654 HydrophobicContact CG2-CG2 3.76Å; I646-L656 HydrophobicContact CG1-CD2 3.81Å; I646-I745 HydrophobicContact CD1-CD1 3.91Å
647	L	96.2	Very high	93.1	Very high	25 Å²	25	26.5 Å²	26.5	13%	0.131	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	155.1	178.8	-56.9	-176.5	0	0	0	111.4	V578 I597 G600 D601 I654 K655 T657	V578-L647 HydrophobicContact CG2-CD1 4.06Å; I597-L647 HydrophobicContact CB-CB 4.18Å; I597-L647 HydrophobicContact CB-CD1 3.94Å; I597-L647 HydrophobicContact CG1-CD1 4.13Å; I597-L647 HydrophobicContact CG2-CB 3.68Å; I597-L647 HydrophobicContact CG2-CD1 4.39Å; G600-L647 CarbonylContact O-C 3.5Å; G600-L647 VanDerWaalsContact O-CA 3.31Å; G600-L647 WeakPolarHBondContact O-CA 3.15Å; D601-L647 HydrophobicContact CB-CD2 3.99Å; L647-I654 CarbonylContact O-C 3.49Å; L647-I654 WeakPolarHBondContact O-CA 3.27Å; L647-K655 PolarHBondContact N-O 3.29Å; L647-K655 PolarHBondContact O-N 3.17Å; L647-T657 HydrophobicContact CD1-CG2 3.9Å; L647-T657 HydrophobicContact CD2-CG2 4.08Å; L647-T657 HydrophobicContact CG-CG2 3.68Å
648	I	96.3	Very high	92.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	125.9	178.6	-57.1	177.6	0	0	0	108.8	I597 G599 G600 L605 P832	I597-I648 VanDerWaalsContact CG2-C 3.48Å; I597-I648 WeakPolarHBondContact CG2-O 3.47Å; G599-I648 CarbonylContact C-O 3.53Å; G599-I648 WeakPolarHBondContact CA-O 3.2Å; G599-I648 PolarHBondContact N-O 3.37Å; G600-I648 PolarHBondContact O-N 3.44Å; L605-I648 HydrophobicContact CB-CD1 4.07Å; L605-I648 HydrophobicContact CD2-CD1 3.65Å; L605-I648 HydrophobicContact CG-CD1 4.48Å; I648-P832 HydrophobicContact CG2-CG 4.31Å
649	D	94.6	Very high	92.3	Very high	19 Å²	19	27.7 Å²	27.7	10%	0.102	13%	0.13	C	C	.	.			trans	-79.9	-178.1	177.5	73.8	16.3	0	0	0	113.4	I597 D651 G652 H653 R824 P832	I597-D649 HydrophobicContact CG2-CB 4.29Å; D649-D651 PolarHBondContact O-N 3.21Å; D649-D651 PolarHBondContact OD1-N 3.31Å; D649-G652 PolarHBondContact O-N 3.2Å; D649-G652 VanDerWaalsContact O-N 3.14Å; D649-G652 PolarHBondContact OD1-N 2.93Å; D649-H653 PolarHBondContact N-O 3.18Å; D649-H653 PolarHBondContact OD1-N 2.79Å; D649-R824 IonicContact OD2-CZ 3.52Å; D649-R824 IonicContact OD2-NH2 3.31Å; D649-R824 PolarHBondContact OD2-NH2 3.45Å; D649-P832 VanDerWaalsContact O-CG 3.26Å; D649-P832 WeakPolarHBondContact O-CG 3.21Å
650	R	93.1	Very high	91.1	Very high	154 Å²	154	26.1 Å²	26.1	58%	0.581	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.5	-177.5	70.9	-179.8	70.3	-169.5	-1.3	113.7	P598 I834	P598-R650 HydrophobicContact CG-CB 4.48Å; R650-I834 HydrophobicContact CB-CD1 3.75Å
651	D	93.9	Very high	90.2	Very high	98 Å²	98	28.4 Å²	28.4	52%	0.524	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.2	-176.3	-58.9	-54.1	0	0	0	110.8	D649 A828	D649-D651 PolarHBondContact O-N 3.21Å; D649-D651 PolarHBondContact OD1-N 3.31Å; D651-A828 WeakPolarHBondContact O-CB 3.47Å
652	G	95.6	Very high	89.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	97	6.9	176.8	0	0	0	0	0	114.6	Y620 D649 A828 Y830	Y620-G652 WeakPolarHBondContact CE1-O 3.36Å; Y620-G652 PolarHBondContact OH-O 3.22Å; D649-G652 PolarHBondContact O-N 3.2Å; D649-G652 VanDerWaalsContact O-N 3.14Å; D649-G652 PolarHBondContact OD1-N 2.93Å; G652-A828 VanDerWaalsContact C-CB 3.5Å; G652-A828 WeakPolarHBondContact O-CB 3.44Å; G652-Y830 VanDerWaalsContact CA-O 3.28Å; G652-Y830 WeakPolarHBondContact CA-O 3.44Å
653	H	97.3	Very high	87.9	Confident	10 Å²	10	27.5 Å²	27.5	5%	0.046	14%	0.14	C	C	.	.			trans	-90.8	150.3	-179.3	-65.1	-74.7	0	0	0	112	F619 E623 D649 R824 L826	F619-H653 AromaticContact CZ-CE1 3.67Å; F619-H653 AromaticContact CZ-ND1 3.64Å; E623-H653 IonicContact OE1-CE1 3.73Å; E623-H653 IonicContact OE1-CG 3.68Å; E623-H653 IonicContact OE1-ND1 2.86Å; E623-H653 PolarHBondContact OE1-ND1 3.37Å; E623-H653 IonicContact OE2-ND1 2.77Å; D649-H653 PolarHBondContact N-O 3.18Å; D649-H653 PolarHBondContact OD1-N 2.79Å; H653-R824 VanDerWaalsContact CB-CZ 3.47Å; H653-R824 VanDerWaalsContact CB-NH2 3.25Å; H653-R824 VanDerWaalsContact CE1-CA 3.45Å; H653-R824 WeakPolarHBondContact CE1-CA 3.33Å; H653-R824 PolarHBondContact NE2-O 3.11Å; H653-L826 PolarHBondContact CE1-O 2.95Å; H653-L826 PolarHBondContact NE2-O 2.96Å
654	I	97.5	Very high	86.1	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	155.4	-173.6	70.6	169.9	0	0	0	113.8	Y620 E623 L624 I646 L647 R824	Y620-I654 HydrophobicContact CD1-CG2 3.52Å; Y620-I654 HydrophobicContact CE1-CG2 3.8Å; E623-I654 HydrophobicContact CB-CD1 3.76Å; E623-I654 HydrophobicContact CB-CG1 3.73Å; E623-I654 PolarHBondContact OE2-N 3.13Å; L624-I654 HydrophobicContact CB-CD1 3.86Å; L624-I654 HydrophobicContact CD1-CD1 4.19Å; I646-I654 HydrophobicContact CG2-CB 3.65Å; I646-I654 HydrophobicContact CG2-CD1 3.99Å; I646-I654 HydrophobicContact CG2-CG1 4.39Å; I646-I654 HydrophobicContact CG2-CG2 3.76Å; L647-I654 CarbonylContact O-C 3.49Å; L647-I654 WeakPolarHBondContact O-CA 3.27Å; I654-R824 PolarHBondContact O-NH1 2.9Å
655	K	96.3	Very high	84.5	Confident	13 Å²	13	33.2 Å²	33.2	6%	0.057	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.9	168	-80.1	170.7	172.2	-78.8	0	110.4	E575 W576 V578 E595 I597 L647	E575-K655 WeakPolarHBondContact O-CE 3.09Å; E575-K655 WeakPolarHBondContact O-CG 3.3Å; E575-K655 PolarHBondContact O-NZ 2.86Å; W576-K655 CarbonylContact O-C 3.56Å; W576-K655 VanDerWaalsContact O-CA 3.32Å; W576-K655 WeakPolarHBondContact O-CA 3.18Å; V578-K655 HydrophobicContact CG2-CB 4.1Å; E595-K655 IonicContact OE1-NZ 3.39Å; E595-K655 PolarHBondContact OE1-NZ 3.37Å; E595-K655 IonicContact OE2-NZ 2.65Å; I597-K655 HydrophobicContact CD1-CD 3.56Å; I597-K655 HydrophobicContact CG1-CD 4.21Å; L647-K655 PolarHBondContact N-O 3.29Å; L647-K655 PolarHBondContact O-N 3.17Å
656	L	95.5	Very high	82.8	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.8	173.8	-65.1	178.1	0	0	0	111.1	W576 V578 L624 A627 V628 V631 I641 I646 F659	W576-L656 PolarHBondContact O-N 2.63Å; V578-L656 WeakPolarHBondContact CG2-O 3.44Å; V578-L656 PolarHBondContact N-O 2.65Å; L624-L656 HydrophobicContact CD1-CD2 3.92Å; A627-L656 HydrophobicContact CB-CD1 3.73Å; A627-L656 HydrophobicContact CB-CG 3.91Å; V628-L656 HydrophobicContact CG2-CD1 4.44Å; V631-L656 HydrophobicContact CG2-CD1 3.98Å; I641-L656 HydrophobicContact CD1-CD1 4.19Å; I641-L656 HydrophobicContact CD1-CD2 4.07Å; I646-L656 HydrophobicContact CG1-CD2 3.81Å; L656-F659 HydrophobicContact CB-CZ 4Å
657	T	91.3	Very high	80.9	Confident	23 Å²	23	40.4 Å²	40.4	14%	0.141	20%	0.197	C	C	.	.			trans	-130.2	178.3	173.9	-166	0	0	0	0	110.6	N645 L647	N645-T657 WeakPolarHBondContact O-CG2 3.43Å; N645-T657 PolarHBondContact O-N 2.89Å; L647-T657 HydrophobicContact CD1-CG2 3.9Å; L647-T657 HydrophobicContact CD2-CG2 4.08Å; L647-T657 HydrophobicContact CG-CG2 3.68Å
658	D	80.7	Confident	78.9	Confident	49 Å²	49	39.3 Å²	39.3	26%	0.262	19%	0.191	S	C	.	.			trans	54.3	70.3	174.2	-157.4	24.6	0	0	0	115.5	K546 G660	K546-D658 IonicContact NZ-OD1 2.96Å; K546-D658 PolarHBondContact NZ-OD1 2.99Å; D658-G660 PolarHBondContact O-N 2.78Å; D658-G660 VanDerWaalsContact O-N 3.09Å
659	F	76.7	Confident	77	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.			trans	-81	21.6	175.7	-58.7	-89.3	0	0	0	112.8	E565 I568 L569 V577 V631 H638 L656 L661 C662	E565-F659 HydrophobicContact CB-CB 4.16Å; E565-F659 HydrophobicContact CG-CB 4.13Å; I568-F659 HydrophobicContact CD1-CD1 3.61Å; I568-F659 HydrophobicContact CD1-CE1 3.69Å; I568-F659 HydrophobicContact CD1-CG 4.41Å; I568-F659 HydrophobicContact CG1-CD1 4.46Å; I568-F659 HydrophobicContact CG2-CB 3.57Å; I568-F659 HydrophobicContact CG2-CD1 3.76Å; I568-F659 HydrophobicContact CG2-CD2 3.98Å; I568-F659 HydrophobicContact CG2-CG 3.47Å; I568-F659 VanDerWaalsContact CG2-CG 3.47Å; L569-F659 HydrophobicContact CD1-CD2 4.45Å; L569-F659 HydrophobicContact CD2-CD2 3.6Å; L569-F659 HydrophobicContact CD2-CE2 3.5Å; L569-F659 VanDerWaalsContact CD2-CE2 3.5Å; L569-F659 HydrophobicContact CG-CD2 3.83Å; L569-F659 HydrophobicContact CG-CE2 4.23Å; V577-F659 HydrophobicContact CB-CZ 4.26Å; V577-F659 HydrophobicContact CG1-CE2 3.57Å; V577-F659 HydrophobicContact CG1-CZ 3.46Å; V577-F659 VanDerWaalsContact CG1-CZ 3.46Å; V577-F659 HydrophobicContact CG2-CZ 3.94Å; V631-F659 HydrophobicContact CG2-CE1 3.9Å; H638-F659 AromaticContact CD2-CD1 3.66Å; H638-F659 AromaticContact CD2-CE1 3.55Å; H638-F659 AromaticContact NE2-CD1 3.87Å; H638-F659 AromaticContact NE2-CE1 3.84Å; L656-F659 HydrophobicContact CB-CZ 4Å; F659-L661 PolarHBondContact O-N 3.27Å; F659-L661 VanDerWaalsContact O-N 3.13Å; F659-C662 WeakPolarHBondContact CA-SG 3.35Å; F659-C662 HydrophobicContact CB-CB 3.95Å; F659-C662 WeakPolarHBondContact CB-SG 3.43Å; F659-C662 HydrophobicContact CD1-CB 4.46Å; F659-C662 WeakPolarHBondContact CD1-SG 3.31Å; F659-C662 VanDerWaalsContact O-CB 3.28Å; F659-C662 WeakPolarHBondContact O-CB 3.37Å; F659-C662 PolarHBondContact O-N 3.45Å; F659-C662 PolarHBondContact O-SG 2.98Å
660	G	64.2	Low	75.3	Confident	17 Å²	17	41.8 Å²	41.8	18%	0.175	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-12.1	-174.5	0	0	0	0	0	114.3	H561 D658	H561-G660 WeakPolarHBondContact CB-O 3.42Å; D658-G660 PolarHBondContact O-N 2.78Å; D658-G660 VanDerWaalsContact O-N 3.09Å
661	L	68.6	Low	73.7	Confident	72 Å²	72	39.4 Å²	39.4	38%	0.377	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	12.4	168.9	-67.2	177.4	0	0	0	111.6	H638 R639 D640 F659	H638-L661 CarbonylContact O-C 3.52Å; R639-L661 PolarHBondContact NE-O 3.09Å; R639-L661 PolarHBondContact NH2-O 3.46Å; D640-L661 HydrophobicContact CB-CB 3.99Å; D640-L661 HydrophobicContact CB-CD1 3.84Å; D640-L661 HydrophobicContact CB-CG 4.37Å; F659-L661 PolarHBondContact O-N 3.27Å; F659-L661 VanDerWaalsContact O-N 3.13Å
662	C	70.8	Confident	72	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.205	C	C	.	.			trans	-72.8	148.7	179.2	-63.2	0	0	0	0	111.6	A564 I637 H638 F659	A564-C662 WeakPolarHBondContact CB-O 3.31Å; I637-C662 VanDerWaalsContact O-CA 3.32Å; I637-C662 WeakPolarHBondContact O-CA 3.45Å; H638-C662 WeakPolarHBondContact CA-SG 3.5Å; H638-C662 PolarHBondContact O-SG 3.36Å; F659-C662 WeakPolarHBondContact CA-SG 3.35Å; F659-C662 HydrophobicContact CB-CB 3.95Å; F659-C662 WeakPolarHBondContact CB-SG 3.43Å; F659-C662 HydrophobicContact CD1-CB 4.46Å; F659-C662 WeakPolarHBondContact CD1-SG 3.31Å; F659-C662 VanDerWaalsContact O-CB 3.28Å; F659-C662 WeakPolarHBondContact O-CB 3.37Å; F659-C662 PolarHBondContact O-N 3.45Å; F659-C662 PolarHBondContact O-SG 2.98Å
663	T	66.3	Low	70.1	Confident	28 Å²	28	48.3 Å²	48.3	17%	0.172	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.8	171.1	-170.2	0	0	0	0	108.5	I637 Y733	I637-T663 HydrophobicContact CB-CG2 4.23Å; I637-T663 PolarHBondContact N-O 3.38Å; I637-T663 PolarHBondContact O-N 3.28Å; I637-T663 VanDerWaalsContact O-N 3.12Å; T663-Y733 HydrophobicContact CG2-CE2 4.16Å
664	G	56.1	Low	68.4	Low	4 Å²	4	49.6 Å²	49.6	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	155.4	157.8	0	0	0	0	0	108.3	R666 H669	G664-R666 PolarHBondContact O-N 3.01Å; G664-H669 VanDerWaalsContact CA-ND1 3.35Å; G664-H669 WeakPolarHBondContact CA-ND1 3.5Å; G664-H669 PolarHBondContact N-ND1 3.26Å
665	L	56.7	Low	66.6	Low	171 Å²	171	52.7 Å²	52.7	90%	0.895	25%	0.248	S	C	*	.	S	Bend	trans	-70.7	21.2	166	-63.4	172.9	0	0	0	112
666	R	55.7	Low	64.4	Low	78 Å²	78	55.5 Å²	55.5	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-86.9	139.7	176.2	-61.5	-173.4	175.9	158.5	3.3	109.4	E571 G664 T668 H669	E571-R666 IonicContact OE1-NH2 3.73Å; E571-R666 PolarHBondContact OE1-NH2 3.12Å; E571-R666 IonicContact OE2-CZ 3.78Å; E571-R666 IonicContact OE2-NH1 2.72Å; E571-R666 PolarHBondContact OE2-NH1 3.33Å; E571-R666 VanDerWaalsContact OE2-NH1 3.08Å; E571-R666 IonicContact OE2-NH2 3.63Å; E571-R666 PolarHBondContact OE2-NH2 3.08Å; G664-R666 PolarHBondContact O-N 3.01Å; R666-T668 PolarHBondContact O-N 3.04Å; R666-H669 WeakPolarHBondContact O-CB 3.24Å; R666-H669 PolarHBondContact O-N 3.42Å
667	W	55	Low	61.8	Low	83 Å²	83	63.5 Å²	63.5	31%	0.314	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-60	-27	178.7	68.3	-82.2	0	0	0	113.3	F453 H669 D670 Y673	F453-W667 AromaticContact CD2-CH2 3.56Å; F453-W667 HydrophobicContact CD2-CH2 3.56Å; F453-W667 AromaticContact CD2-CZ3 3.42Å; F453-W667 HydrophobicContact CD2-CZ3 3.42Å; F453-W667 VanDerWaalsContact CD2-CZ3 3.42Å; F453-W667 HydrophobicContact CE2-CE3 4.32Å; F453-W667 AromaticContact CE2-CH2 3.48Å; F453-W667 HydrophobicContact CE2-CH2 3.48Å; F453-W667 VanDerWaalsContact CE2-CH2 3.48Å; F453-W667 AromaticContact CE2-CZ3 3.34Å; F453-W667 HydrophobicContact CE2-CZ3 3.34Å; F453-W667 HydrophobicContact CZ-CH2 4.41Å; W667-H669 PolarHBondContact O-N 2.93Å; W667-D670 WeakPolarHBondContact O-CB 3.34Å; W667-D670 PolarHBondContact O-N 2.85Å; W667-D670 VanDerWaalsContact O-N 3.1Å; W667-Y673 HydrophobicContact CE3-CD1 4.35Å; W667-Y673 HydrophobicContact CE3-CE1 4.34Å; W667-Y673 HydrophobicContact CZ3-CD1 4.48Å
668	T	55.3	Low	59.3	Low	3 Å²	3	71.2 Å²	71.2	2%	0.018	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-66.7	-15.9	175.9	55.5	0	0	0	0	113.5	R666 Y674	R666-T668 PolarHBondContact O-N 3.04Å; T668-Y674 VanDerWaalsContact O-CE2 3.23Å; T668-Y674 WeakPolarHBondContact O-CE2 3.46Å; T668-Y674 PolarHBondContact O-OH 3.3Å
669	H	55.9	Low	57	Low	10 Å²	10	72 Å²	72	5%	0.046	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-98.1	-3.1	176.9	-50.3	143.5	0	0	0	112.2	A564 D567 F636 G664 R666 W667 R671	A564-H669 VanDerWaalsContact CA-CD2 3.42Å; A564-H669 WeakPolarHBondContact CA-CD2 3.29Å; A564-H669 WeakPolarHBondContact CA-NE2 3.37Å; A564-H669 HydrophobicContact CB-CB 4.34Å; A564-H669 VanDerWaalsContact CB-CD2 3.47Å; A564-H669 WeakPolarHBondContact CB-CD2 3.23Å; D567-H669 IonicContact OD2-CD2 2.63Å; D567-H669 IonicContact OD2-CE1 2.85Å; D567-H669 IonicContact OD2-NE2 2.98Å; D567-H669 PolarHBondContact OD2-NE2 2.87Å; F636-H669 AromaticContact CE1-CE1 3.54Å; G664-H669 VanDerWaalsContact CA-ND1 3.35Å; G664-H669 WeakPolarHBondContact CA-ND1 3.5Å; G664-H669 PolarHBondContact N-ND1 3.26Å; R666-H669 WeakPolarHBondContact O-CB 3.24Å; R666-H669 PolarHBondContact O-N 3.42Å; W667-H669 PolarHBondContact O-N 2.93Å; H669-R671 PolarHBondContact O-N 2.85Å
670	D	58.1	Low	54.8	Low	61 Å²	61	80.1 Å²	80.1	33%	0.326	39%	0.39	S	S	.	.			trans	-82	118.1	176.8	-174.1	-12.7	0	0	0	110.8	W667 K672 Y673	W667-D670 WeakPolarHBondContact O-CB 3.34Å; W667-D670 PolarHBondContact O-N 2.85Å; W667-D670 VanDerWaalsContact O-N 3.1Å; D670-K672 PolarHBondContact O-N 3.28Å; D670-K672 VanDerWaalsContact O-N 3.14Å; D670-K672 WeakPolarHBondContact OD1-CB 3.19Å; D670-K672 WeakPolarHBondContact OD1-CG 3.41Å; D670-K672 PolarHBondContact OD1-N 3.42Å; D670-Y673 HydrophobicContact CB-CD2 3.95Å; D670-Y673 HydrophobicContact CB-CE2 4.33Å; D670-Y673 PolarHBondContact O-N 2.86Å
671	R	61.1	Low	53.3	Low	105 Å²	105	85.7 Å²	85.7	40%	0.396	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-54.1	-31.8	179.1	-174.8	174.1	171.5	177.1	-4.8	112.8	N557 H669 Y673 Y674	N557-R671 PolarHBondContact ND2-NE 3.49Å; N557-R671 PolarHBondContact ND2-NH2 2.97Å; H669-R671 PolarHBondContact O-N 2.85Å; R671-Y673 PolarHBondContact O-N 3.45Å; R671-Y674 PolarHBondContact O-N 3.25Å
672	K	58	Low	51.8	Low	168 Å²	168	87.3 Å²	87.3	73%	0.73	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.3	-178.8	-68.3	175.2	-178.2	171.6	0	113.8	D670	D670-K672 PolarHBondContact O-N 3.28Å; D670-K672 VanDerWaalsContact O-N 3.14Å; D670-K672 WeakPolarHBondContact OD1-CB 3.19Å; D670-K672 WeakPolarHBondContact OD1-CG 3.41Å; D670-K672 PolarHBondContact OD1-N 3.42Å
673	Y	56.1	Low	50.1	Low	116 Å²	116	92.7 Å²	92.7	46%	0.455	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-84.4	-25	-177.8	-77.5	-89.3	0	0	0	114.1	W667 D670 R671	W667-Y673 HydrophobicContact CE3-CD1 4.35Å; W667-Y673 HydrophobicContact CE3-CE1 4.34Å; W667-Y673 HydrophobicContact CZ3-CD1 4.48Å; D670-Y673 HydrophobicContact CB-CD2 3.95Å; D670-Y673 HydrophobicContact CB-CE2 4.33Å; D670-Y673 PolarHBondContact O-N 2.86Å; R671-Y673 PolarHBondContact O-N 3.45Å
674	Y	61.3	Low	48.5	Very low	38 Å²	38	99.6 Å²	99.6	15%	0.149	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.3	178.1	-60.9	-84.3	0	0	0	112.8	F453 A559 A560 K563 T668 R671 D676 A867	F453-Y674 HydrophobicContact CZ-CE1 4.37Å; A559-Y674 HydrophobicContact CB-CD1 4.07Å; A559-Y674 HydrophobicContact CB-CG 4.3Å; A560-Y674 HydrophobicContact CB-CD2 3.64Å; A560-Y674 HydrophobicContact CB-CE2 3.56Å; K563-Y674 HydrophobicContact CD-CE1 4.21Å; K563-Y674 WeakPolarHBondContact CD-OH 3.43Å; K563-Y674 PolarHBondContact NZ-OH 3.46Å; T668-Y674 VanDerWaalsContact O-CE2 3.23Å; T668-Y674 WeakPolarHBondContact O-CE2 3.46Å; T668-Y674 PolarHBondContact O-OH 3.3Å; R671-Y674 PolarHBondContact O-N 3.25Å; Y674-D676 PolarHBondContact O-N 2.9Å; Y674-D676 VanDerWaalsContact O-N 3.1Å; Y674-A867 HydrophobicContact CD1-CB 4.25Å
675	D	58.7	Low	47.2	Very low	67 Å²	67	104.8 Å²	104.8	36%	0.358	52%	0.52	S	S	.	.			trans	-84.2	74.9	179.1	-146.5	-23	0	0	0	111	H677 R678	D675-H677 PolarHBondContact O-N 3.47Å; D675-R678 PolarHBondContact OD1-N 3.08Å
676	D	49.6	Very low	45.9	Very low	71 Å²	71	102.3 Å²	102.3	38%	0.38	51%	0.506	S	S	.	.	S	Bend	trans	-93	70.6	168.1	-102.4	7	0	0	0	108.9	K449 Y674	K449-D676 IonicContact NZ-OD1 3.48Å; K449-D676 PolarHBondContact NZ-OD1 2.67Å; Y674-D676 PolarHBondContact O-N 2.9Å; Y674-D676 VanDerWaalsContact O-N 3.1Å
677	H	42.6	Very low	44.7	Very low	170 Å²	170	103.9 Å²	103.9	79%	0.787	53%	0.527	S	S	*	.	S	Bend	trans	93.4	82.6	175.6	-37.6	-25.9	0	0	0	115.6	D675	D675-H677 PolarHBondContact O-N 3.47Å
678	R	37.9	Very low	43.4	Very low	184 Å²	184	105.4 Å²	105.4	69%	0.694	55%	0.548	S	S	*	.				-152.7	133.6	129.6	-66.5	-157.4	-167.6	-89.3	-3.3	109.6	D675	D675-R678 PolarHBondContact OD1-N 3.08Å
679	G	31.5	Very low	42	Very low	65 Å²	65	113.7 Å²	113.7	67%	0.67	59%	0.586	S	S	*	*			trans	-58.7	157.8	174.9	0	0	0	0	0	112.2	I681	G679-I681 PolarHBondContact O-N 3.04Å
680	D	31	Very low	40.7	Very low	172 Å²	172	123.7 Å²	123.7	92%	0.92	62%	0.623	S	S	*	*			trans	-32.6	104	178.3	-78.4	-38.3	0	0	0	113
681	I	34.1	Very low	39.4	Very low	133 Å²	133	125.5 Å²	125.5	68%	0.682	64%	0.638	S	S	*	*			trans	-122.1	86.2	159.2	-58.5	173.7	0	0	0	105.6	G679	G679-I681 PolarHBondContact O-N 3.04Å
682	D	35.5	Very low	37.8	Very low	106 Å²	106	130 Å²	130	57%	0.567	66%	0.661	S	S	*	*			trans	-85.1	106.8	159.5	-125.2	-3.6	0	0	0	105.1	R730	D682-R730 IonicContact OD1-NH1 3.76Å; D682-R730 IonicContact OD1-NH2 3.67Å; D682-R730 IonicContact OD2-CZ 2.87Å; D682-R730 IonicContact OD2-NH1 2.72Å; D682-R730 PolarHBondContact OD2-NH1 3.02Å; D682-R730 IonicContact OD2-NH2 3.65Å
683	D	36.4	Very low	36.5	Very low	113 Å²	113	127.3 Å²	127.3	60%	0.604	66%	0.663	S	S	*	*			trans	-161.2	114.9	160.9	-157.7	10.1	0	0	0	111.9	T685	D683-T685 WeakPolarHBondContact OD1-CB 3.35Å; D683-T685 PolarHBondContact OD1-N 3.29Å; D683-T685 PolarHBondContact OD1-OG1 3.12Å
684	D	32.2	Very low	35.6	Very low	174 Å²	174	128.4 Å²	128.4	93%	0.93	68%	0.676	S	S	*	*			trans	-134.2	60.3	160.9	-136.8	6.5	0	0	0	105.5
685	T	28.9	Very low	34.3	Very low	113 Å²	113	135.5 Å²	135.5	69%	0.693	71%	0.708	S	S	*	*			trans	-110.2	122	-176	-40.5	0	0	0	0	111.1	D683	D683-T685 WeakPolarHBondContact OD1-CB 3.35Å; D683-T685 PolarHBondContact OD1-N 3.29Å; D683-T685 PolarHBondContact OD1-OG1 3.12Å
686	L	29.3	Very low	33	Very low	118 Å²	118	144.7 Å²	144.7	62%	0.618	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-81	142.5	171.1	-89.7	143.9	0	0	0	110.7	P761	L686-P761 HydrophobicContact CD1-CG 4.14Å
687	P	29.8	Very low	32.4	Very low	111 Å²	111	146.4 Å²	146.4	72%	0.721	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-83.3	150.9	-175.7	0.6	17.3	0	0	0	112.9
688	P	27.3	Very low	32.2	Very low	116 Å²	116	147 Å²	147	75%	0.753	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-83	131.4	-170.1	32.3	-33.7	0	0	0	112.1
689	H	27.6	Very low	32.8	Very low	176 Å²	176	144.2 Å²	144.2	82%	0.815	75%	0.747	S	S	*	*			trans	-130.8	136.9	162.3	-166.1	-75.6	0	0	0	111.6
690	R	27.9	Very low	33.5	Very low	221 Å²	221	148.3 Å²	148.3	83%	0.834	75%	0.752	S	S	*	*			trans	-70.5	151.6	-168	-71.6	-176.9	-175.5	-176.3	1.3	114.5
691	P	30.9	Very low	34.7	Very low	98 Å²	98	143.3 Å²	143.3	64%	0.636	73%	0.728	S	S	*	*			trans	-89.5	153.5	-169.7	35.3	-31.5	0	0	0	112.4
692	K	27.3	Very low	35.8	Very low	201 Å²	201	139.4 Å²	139.4	87%	0.874	71%	0.71	S	S	*	*			trans	-126.7	127	167.9	-74.1	-170.5	-178.1	-179	0	109.9
693	S	30.6	Very low	37	Very low	111 Å²	111	141.8 Å²	141.8	78%	0.776	71%	0.711	S	S	*	*			trans	-73.6	126.2	-170.8	59.3	0	0	0	0	114.4
694	D	36.7	Very low	38.3	Very low	138 Å²	138	141.5 Å²	141.5	74%	0.738	71%	0.706	S	S	*	*				34.8	122.1	125	-63.9	-30	0	0	0	121.4
695	K	34.9	Very low	39.8	Very low	188 Å²	188	136.2 Å²	136.2	82%	0.817	68%	0.676	S	S	*	*			trans	-138.5	145.6	149.9	-82.3	-173.9	178.2	176.1	0	111.5	H697	K695-H697 PolarHBondContact O-CE1 3.45Å; K695-H697 VanDerWaalsContact O-CE1 3.25Å; K695-H697 PolarHBondContact O-ND1 2.74Å
696	W	31	Very low	41.7	Very low	260 Å²	260	135 Å²	135	99%	0.985	66%	0.661	S	S	*	*			trans	-69.5	141.5	-169.6	-122.2	53	0	0	0	114.7
697	H	36.8	Very low	43.4	Very low	106 Å²	106	132.4 Å²	132.4	49%	0.491	65%	0.646	S	S	.	*			trans	-137.2	153.2	-178.2	-69.6	84.3	0	0	0	113.6	K695 V701 V702	K695-H697 PolarHBondContact O-CE1 3.45Å; K695-H697 VanDerWaalsContact O-CE1 3.25Å; K695-H697 PolarHBondContact O-ND1 2.74Å; H697-V701 HydrophobicContact CB-CB 4.46Å; H697-V701 HydrophobicContact CB-CG1 4.13Å; H697-V702 WeakPolarHBondContact O-CG2 3.44Å
698	K	37.9	Very low	45.1	Very low	182 Å²	182	131.4 Å²	131.4	79%	0.791	63%	0.631	S	S	*	*			trans	-75.8	152.2	-175.3	-67.2	178.7	176.6	178.9	0	113.6	L700 V701 V702	K698-L700 PolarHBondContact O-N 2.96Å; K698-V701 WeakPolarHBondContact O-CA 3.23Å; K698-V701 VanDerWaalsContact O-CB 3.26Å; K698-V701 WeakPolarHBondContact O-CB 3.45Å; K698-V701 PolarHBondContact O-N 2.97Å; K698-V702 PolarHBondContact O-N 2.95Å
699	V	51.7	Low	46.9	Very low	126 Å²	126	131 Å²	131	76%	0.764	62%	0.618	S	S	*	*	H	α-helix	trans	-47.4	-45.4	-165.7	-177.8	0	0	0	0	116.9	V701 V702 R703	V699-V701 VanDerWaalsContact C-N 3.35Å; V699-V702 WeakPolarHBondContact O-CB 3.48Å; V699-V702 PolarHBondContact O-N 3.03Å; V699-V702 VanDerWaalsContact O-N 3.17Å; V699-R703 PolarHBondContact O-N 3.32Å; V699-R703 VanDerWaalsContact O-N 3.09Å
700	L	46.7	Very low	48.6	Very low	151 Å²	151	123.1 Å²	123.1	79%	0.791	58%	0.581	S	S	*	*	H	α-helix	trans	-69.4	-35.3	178.4	-71.8	174.5	0	0	0	112.4	K698 V702 R703 H704	K698-L700 PolarHBondContact O-N 2.96Å; L700-V702 VanDerWaalsContact C-N 3.28Å; L700-R703 PolarHBondContact O-N 3.34Å; L700-H704 PolarHBondContact O-N 3.37Å
701	V	54.8	Low	50.3	Low	67 Å²	67	119.8 Å²	119.8	41%	0.406	57%	0.569	S	S	.	*	H	α-helix	trans	-66.4	-35.8	171.9	-178.6	0	0	0	0	109.6	H697 K698 V699 R703 H704 Q705	H697-V701 HydrophobicContact CB-CB 4.46Å; H697-V701 HydrophobicContact CB-CG1 4.13Å; K698-V701 WeakPolarHBondContact O-CA 3.23Å; K698-V701 VanDerWaalsContact O-CB 3.26Å; K698-V701 WeakPolarHBondContact O-CB 3.45Å; K698-V701 PolarHBondContact O-N 2.97Å; V699-V701 VanDerWaalsContact C-N 3.35Å; V701-R703 PolarHBondContact O-N 3.36Å; V701-H704 PolarHBondContact O-N 3.43Å; V701-Q705 HydrophobicContact CG1-CG 3.99Å; V701-Q705 WeakPolarHBondContact O-CB 3.44Å; V701-Q705 WeakPolarHBondContact O-CG 3.49Å; V701-Q705 PolarHBondContact O-N 3.48Å
702	V	57.6	Low	51.3	Low	52 Å²	52	121.7 Å²	121.7	32%	0.315	57%	0.567	S	S	.	*	H	α-helix	trans	-61.9	-42.8	175.1	178.3	0	0	0	0	111.5	H697 K698 V699 L700 Q705 K706	H697-V702 WeakPolarHBondContact O-CG2 3.44Å; K698-V702 PolarHBondContact O-N 2.95Å; V699-V702 WeakPolarHBondContact O-CB 3.48Å; V699-V702 PolarHBondContact O-N 3.03Å; V699-V702 VanDerWaalsContact O-N 3.17Å; L700-V702 VanDerWaalsContact C-N 3.28Å; V702-Q705 PolarHBondContact O-N 3.03Å; V702-K706 HydrophobicContact CG1-CD 4.33Å; V702-K706 HydrophobicContact CG1-CG 4.37Å; V702-K706 WeakPolarHBondContact O-CB 3.48Å; V702-K706 WeakPolarHBondContact O-CG 3.49Å; V702-K706 PolarHBondContact O-N 3.47Å
703	R	60.9	Low	52.4	Low	155 Å²	155	113.2 Å²	113.2	59%	0.585	54%	0.535	S	S	*	.	H	α-helix	trans	-63.2	-46.3	177.2	-172.3	176.1	-178.4	160.8	2.5	111.7	V699 L700 V701 K706 Q707	V699-R703 PolarHBondContact O-N 3.32Å; V699-R703 VanDerWaalsContact O-N 3.09Å; L700-R703 PolarHBondContact O-N 3.34Å; V701-R703 PolarHBondContact O-N 3.36Å; R703-K706 PolarHBondContact O-N 3.49Å; R703-Q707 PolarHBondContact O-N 3.01Å
704	H	62.9	Low	53.5	Low	107 Å²	107	110.4 Å²	110.4	50%	0.495	51%	0.51	S	S	.	.	H	α-helix	trans	-68	-37.3	178.6	-156.6	74.1	0	0	0	111.8	L700 V701 Q707 Q708	L700-H704 PolarHBondContact O-N 3.37Å; V701-H704 PolarHBondContact O-N 3.43Å; H704-Q707 PolarHBondContact O-N 2.93Å; H704-Q708 PolarHBondContact CD2-NE2 3.37Å; H704-Q708 VanDerWaalsContact CD2-NE2 3.27Å; H704-Q708 PolarHBondContact NE2-NE2 3.44Å; H704-Q708 WeakPolarHBondContact O-CB 3.38Å; H704-Q708 WeakPolarHBondContact O-CG 3.25Å; H704-Q708 PolarHBondContact O-N 3.32Å
705	Q	65	Low	54	Low	63 Å²	63	108.1 Å²	108.1	29%	0.294	51%	0.505	S	S	.	.	H	α-helix	trans	-65.3	-39.1	172.9	-78.9	177.6	-8.4	0	0	112.2	V701 V702 Q708 K709	V701-Q705 HydrophobicContact CG1-CG 3.99Å; V701-Q705 WeakPolarHBondContact O-CB 3.44Å; V701-Q705 WeakPolarHBondContact O-CG 3.49Å; V701-Q705 PolarHBondContact O-N 3.48Å; V702-Q705 PolarHBondContact O-N 3.03Å; Q705-Q708 PolarHBondContact O-N 3.42Å; Q705-K709 WeakPolarHBondContact O-CB 3.4Å; Q705-K709 WeakPolarHBondContact O-CG 3.41Å; Q705-K709 PolarHBondContact O-N 2.96Å
706	K	68	Low	54.4	Low	87 Å²	87	102.8 Å²	102.8	38%	0.378	49%	0.485	S	S	.	.	H	α-helix	trans	-61.6	-48.5	173.7	-79.5	-177.5	176.4	-171.4	0	110.7	V702 R703 Q708 K709 H710	V702-K706 HydrophobicContact CG1-CD 4.33Å; V702-K706 HydrophobicContact CG1-CG 4.37Å; V702-K706 WeakPolarHBondContact O-CB 3.48Å; V702-K706 WeakPolarHBondContact O-CG 3.49Å; V702-K706 PolarHBondContact O-N 3.47Å; R703-K706 PolarHBondContact O-N 3.49Å; K706-Q708 VanDerWaalsContact C-N 3.33Å; K706-Q708 PolarHBondContact O-N 3.32Å; K706-K709 PolarHBondContact O-N 3.18Å; K706-H710 VanDerWaalsContact O-CB 3.25Å; K706-H710 WeakPolarHBondContact O-CB 3.4Å; K706-H710 PolarHBondContact O-N 2.76Å
707	Q	64.9	Low	55.1	Low	65 Å²	65	97 Å²	97	30%	0.304	48%	0.478	S	S	.	.	H	α-helix	trans	-61.7	-38.1	174.5	-74.2	179.3	-22.1	0	0	112.7	R703 H704 H710 R711	R703-Q707 PolarHBondContact O-N 3.01Å; H704-Q707 PolarHBondContact O-N 2.93Å; Q707-H710 WeakPolarHBondContact O-CB 3.33Å; Q707-R711 WeakPolarHBondContact O-CB 3.21Å; Q707-R711 WeakPolarHBondContact O-CG 3.43Å; Q707-R711 PolarHBondContact O-N 3.09Å
708	Q	65.4	Low	55.9	Low	89 Å²	89	94.8 Å²	94.8	42%	0.416	49%	0.485	S	S	.	.	H	α-helix	trans	-70.7	-39.1	175.1	-76.9	-175.5	-0.1	0	0	112.8	H704 Q705 K706 H710 R711 K712	H704-Q708 PolarHBondContact CD2-NE2 3.37Å; H704-Q708 VanDerWaalsContact CD2-NE2 3.27Å; H704-Q708 PolarHBondContact NE2-NE2 3.44Å; H704-Q708 WeakPolarHBondContact O-CB 3.38Å; H704-Q708 WeakPolarHBondContact O-CG 3.25Å; H704-Q708 PolarHBondContact O-N 3.32Å; Q705-Q708 PolarHBondContact O-N 3.42Å; K706-Q708 VanDerWaalsContact C-N 3.33Å; K706-Q708 PolarHBondContact O-N 3.32Å; Q708-H710 VanDerWaalsContact C-N 3.3Å; Q708-R711 CarbonylContact O-C 3.59Å; Q708-R711 PolarHBondContact O-N 2.98Å; Q708-K712 WeakPolarHBondContact O-CB 3.2Å; Q708-K712 VanDerWaalsContact O-CG 3.28Å; Q708-K712 WeakPolarHBondContact O-CG 3.47Å; Q708-K712 PolarHBondContact O-N 3.44Å
709	K	65.6	Low	57.2	Low	109 Å²	109	87.4 Å²	87.4	47%	0.474	45%	0.454	S	S	.	.	H	α-helix	trans	-63.4	-41.1	173.5	-80	-172.2	177.1	-165.7	0	110.2	Q705 K706 K712 A713	Q705-K709 WeakPolarHBondContact O-CB 3.4Å; Q705-K709 WeakPolarHBondContact O-CG 3.41Å; Q705-K709 PolarHBondContact O-N 2.96Å; K706-K709 PolarHBondContact O-N 3.18Å; K709-K712 PolarHBondContact O-N 3.47Å; K709-A713 PolarHBondContact O-N 3.06Å
710	H	62.7	Low	58.4	Low	10 Å²	10	81.7 Å²	81.7	5%	0.046	42%	0.42	C	S	.	.	H	α-helix	trans	-58.6	-52.5	172.5	-168.3	-94.6	0	0	0	111	M603 I607 K706 Q707 Q708 K712 A713 L714 E748	M603-H710 WeakPolarHBondContact CE-CE1 3.45Å; I607-H710 WeakPolarHBondContact CG1-ND1 3.41Å; K706-H710 VanDerWaalsContact O-CB 3.25Å; K706-H710 WeakPolarHBondContact O-CB 3.4Å; K706-H710 PolarHBondContact O-N 2.76Å; Q707-H710 WeakPolarHBondContact O-CB 3.33Å; Q708-H710 VanDerWaalsContact C-N 3.3Å; H710-K712 VanDerWaalsContact C-N 3.3Å; H710-K712 PolarHBondContact O-N 2.91Å; H710-A713 WeakPolarHBondContact O-CB 3.49Å; H710-A713 PolarHBondContact O-N 3.25Å; H710-A713 VanDerWaalsContact O-N 3.16Å; H710-L714 WeakPolarHBondContact O-CD1 3.46Å; H710-L714 PolarHBondContact O-N 3.39Å; H710-L714 VanDerWaalsContact O-N 3.08Å; H710-E748 IonicContact CD2-OE1 3.36Å; H710-E748 PolarHBondContact CD2-OE1 2.99Å; H710-E748 IonicContact CE1-OE1 2.66Å; H710-E748 IonicContact NE2-OE1 3.65Å; H710-E748 PolarHBondContact NE2-OE1 3.24Å
711	R	63.4	Low	60.4	Low	151 Å²	151	74.9 Å²	74.9	57%	0.57	39%	0.385	S	S	*	.	H	α-helix	trans	-61.3	-29.2	172.5	-72.8	176.9	71.4	94.3	2	114.7	I607 Q707 Q708 L714 S715	I607-R711 HydrophobicContact CG2-CG 4.44Å; Q707-R711 WeakPolarHBondContact O-CB 3.21Å; Q707-R711 WeakPolarHBondContact O-CG 3.43Å; Q707-R711 PolarHBondContact O-N 3.09Å; Q708-R711 CarbonylContact O-C 3.59Å; Q708-R711 PolarHBondContact O-N 2.98Å; R711-L714 VanDerWaalsContact O-CB 3.27Å; R711-L714 WeakPolarHBondContact O-CB 3.31Å; R711-S715 PolarHBondContact O-N 3.3Å
712	K	51.8	Low	62.2	Low	138 Å²	138	72.7 Å²	72.7	60%	0.6	37%	0.369	S	S	*	.	H	α-helix	trans	-75	-38.1	175.2	-80.1	177.4	179.5	-176.7	0	111.5	Q708 K709 H710 L714 S715 L716	Q708-K712 WeakPolarHBondContact O-CB 3.2Å; Q708-K712 VanDerWaalsContact O-CG 3.28Å; Q708-K712 WeakPolarHBondContact O-CG 3.47Å; Q708-K712 PolarHBondContact O-N 3.44Å; K709-K712 PolarHBondContact O-N 3.47Å; H710-K712 VanDerWaalsContact C-N 3.3Å; H710-K712 PolarHBondContact O-N 2.91Å; K712-L714 PolarHBondContact O-N 3.34Å; K712-S715 PolarHBondContact O-N 3.1Å; K712-S715 PolarHBondContact O-OG 3.23Å; K712-L716 PolarHBondContact O-N 3.36Å
713	A	51	Low	63.9	Low	23 Å²	23	72.6 Å²	72.6	19%	0.19	37%	0.366	C	S	.	.	H	α-helix	trans	-60.4	-35.3	171	0	0	0	0	0	111.3	K709 H710 L716 L757	K709-A713 PolarHBondContact O-N 3.06Å; H710-A713 WeakPolarHBondContact O-CB 3.49Å; H710-A713 PolarHBondContact O-N 3.25Å; H710-A713 VanDerWaalsContact O-N 3.16Å; A713-L716 PolarHBondContact O-N 2.97Å; A713-L757 HydrophobicContact CB-CD1 3.87Å
714	L	53.5	Low	65.3	Low	51 Å²	51	65.3 Å²	65.3	27%	0.267	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-44.2	168.4	-94.5	117.8	0	0	0	112.9	M603 I607 H710 R711 K712 L716	M603-L714 HydrophobicContact CE-CD1 3.54Å; M603-L714 HydrophobicContact CE-CG 3.82Å; M603-L714 HydrophobicContact CG-CD1 4.17Å; M603-L714 HydrophobicContact CG-CD2 4.09Å; M603-L714 HydrophobicContact CG-CG 4.22Å; I607-L714 HydrophobicContact CD1-CD1 3.43Å; I607-L714 VanDerWaalsContact CD1-CD1 3.43Å; I607-L714 HydrophobicContact CD1-CD2 4.15Å; I607-L714 HydrophobicContact CD1-CG 4.47Å; I607-L714 HydrophobicContact CG1-CD1 4.04Å; H710-L714 WeakPolarHBondContact O-CD1 3.46Å; H710-L714 PolarHBondContact O-N 3.39Å; H710-L714 VanDerWaalsContact O-N 3.08Å; R711-L714 VanDerWaalsContact O-CB 3.27Å; R711-L714 WeakPolarHBondContact O-CB 3.31Å; K712-L714 PolarHBondContact O-N 3.34Å; L714-L716 VanDerWaalsContact C-N 3.3Å; L714-L716 PolarHBondContact O-N 3.32Å
715	S	48.4	Very low	66.8	Low	90 Å²	90	60.6 Å²	60.6	63%	0.629	32%	0.318	S	S	*	.	H	α-helix	trans	-72.6	-22.8	-177.1	73.1	0	0	0	0	113.8	R711 K712 V717	R711-S715 PolarHBondContact O-N 3.3Å; K712-S715 PolarHBondContact O-N 3.1Å; K712-S715 PolarHBondContact O-OG 3.23Å; S715-V717 PolarHBondContact O-N 3.09Å; S715-V717 VanDerWaalsContact O-N 3.16Å
716	L	42.5	Very low	68	Low	76 Å²	76	58 Å²	58	40%	0.398	31%	0.306	S	S	.	.	S	Bend	trans	-89.4	81.1	179.3	-152.7	81.6	0	0	0	108.9	K712 A713 L714 G718 T719 P761	K712-L716 PolarHBondContact O-N 3.36Å; A713-L716 PolarHBondContact O-N 2.97Å; L714-L716 VanDerWaalsContact C-N 3.3Å; L714-L716 PolarHBondContact O-N 3.32Å; L716-G718 PolarHBondContact O-N 3.43Å; L716-T719 PolarHBondContact O-N 3.3Å; L716-T719 PolarHBondContact O-OG1 3.24Å; L716-P761 HydrophobicContact CD2-CG 3.67Å
717	V	45.3	Very low	68.9	Low	139 Å²	139	55.7 Å²	55.7	84%	0.842	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	111.9	172.1	-175.1	0	0	0	0	108.4	S715	S715-V717 PolarHBondContact O-N 3.09Å; S715-V717 VanDerWaalsContact O-N 3.16Å
718	G	53.5	Low	69.9	Low	60 Å²	60	54.4 Å²	54.4	62%	0.619	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.2	12.3	177.2	0	0	0	0	0	117	L716 P720	L716-G718 PolarHBondContact O-N 3.43Å; G718-P720 VanDerWaalsContact O-CD 3.26Å; G718-P720 WeakPolarHBondContact O-CD 3.34Å
719	T	66.4	Low	70.9	Confident	26 Å²	26	54.5 Å²	54.5	16%	0.16	30%	0.297	C	S	.	.			trans	-68.4	116.5	172.2	-47.5	0	0	0	0	110.3	L716 N721 T764	L716-T719 PolarHBondContact O-N 3.3Å; L716-T719 PolarHBondContact O-OG1 3.24Å; T719-N721 VanDerWaalsContact CG2-ND2 3.26Å; T719-N721 WeakPolarHBondContact CG2-ND2 3.28Å; T719-N721 WeakPolarHBondContact CG2-OD1 3.29Å; T719-N721 PolarHBondContact O-N 3.17Å; T719-T764 HydrophobicContact CG2-CG2 4.28Å
720	P	76.7	Confident	71.5	Confident	7 Å²	7	57.8 Å²	57.8	5%	0.045	31%	0.306	C	S	.	.			trans	-82.4	38.1	-168.9	32.2	-32.3	0	0	0	113.3	G718 Y722 I723 L728 T764 Q765	G718-P720 VanDerWaalsContact O-CD 3.26Å; G718-P720 WeakPolarHBondContact O-CD 3.34Å; P720-Y722 VanDerWaalsContact C-N 3.27Å; P720-Y722 PolarHBondContact O-N 3.06Å; P720-I723 HydrophobicContact CB-CB 4.29Å; P720-I723 HydrophobicContact CB-CD1 3.54Å; P720-I723 HydrophobicContact CB-CG1 3.95Å; P720-I723 PolarHBondContact O-N 2.92Å; P720-L728 HydrophobicContact CB-CD2 4.41Å; P720-T764 HydrophobicContact CG-CG2 3.97Å; P720-Q765 HydrophobicContact CB-CG 4.38Å; P720-Q765 HydrophobicContact CG-CG 3.5Å; P720-Q765 VanDerWaalsContact CG-CG 3.5Å
721	N	87.9	Confident	72.1	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.043	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.2	-169.7	-70.6	-43.9	0	0	0	113.7	T719 P754 T764	T719-N721 VanDerWaalsContact CG2-ND2 3.26Å; T719-N721 WeakPolarHBondContact CG2-ND2 3.28Å; T719-N721 WeakPolarHBondContact CG2-OD1 3.29Å; T719-N721 PolarHBondContact O-N 3.17Å; N721-P754 HydrophobicContact CB-CB 4.22Å; N721-P754 HydrophobicContact CB-CG 4.3Å; N721-T764 VanDerWaalsContact OD1-CG2 3.3Å; N721-T764 WeakPolarHBondContact OD1-CG2 3.29Å
722	Y	93.7	Very high	72.3	Confident	20 Å²	20	57.8 Å²	57.8	8%	0.078	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-9.9	-175.2	-49.3	-79.8	0	0	0	112.9	I641 K642 P643 P720 A724 S741 V744 I745 E748	I641-Y722 WeakPolarHBondContact O-CB 3.31Å; K642-Y722 HydrophobicContact CB-CD2 3.49Å; K642-Y722 VanDerWaalsContact CB-CD2 3.49Å; K642-Y722 HydrophobicContact CB-CE2 3.87Å; K642-Y722 HydrophobicContact CB-CG 3.92Å; P643-Y722 HydrophobicContact CG-CE1 4.06Å; P720-Y722 VanDerWaalsContact C-N 3.27Å; P720-Y722 PolarHBondContact O-N 3.06Å; Y722-A724 PolarHBondContact O-N 2.89Å; Y722-S741 PolarHBondContact O-OG 3.33Å; Y722-V744 HydrophobicContact CD1-CB 4.06Å; Y722-V744 HydrophobicContact CD1-CG1 3.41Å; Y722-V744 VanDerWaalsContact CD1-CG1 3.41Å; Y722-V744 HydrophobicContact CE1-CG1 3.81Å; Y722-V744 HydrophobicContact CG-CG1 4.31Å; Y722-I745 HydrophobicContact CD1-CG1 3.86Å; Y722-I745 HydrophobicContact CE1-CG1 3.94Å; Y722-E748 WeakPolarHBondContact CE1-OE2 3.36Å; Y722-E748 VanDerWaalsContact CZ-OE2 3.31Å; Y722-E748 PolarHBondContact OH-OE1 3.31Å; Y722-E748 PolarHBondContact OH-OE2 2.89Å
723	I	91.3	Very high	73.5	Confident	50 Å²	50	54.8 Å²	54.8	26%	0.256	32%	0.32	S	S	.	.			trans	-70.3	132.7	-175.1	-55.2	-173.9	0	0	0	109.4	P720 V727 L728 W740 V768	P720-I723 HydrophobicContact CB-CB 4.29Å; P720-I723 HydrophobicContact CB-CD1 3.54Å; P720-I723 HydrophobicContact CB-CG1 3.95Å; P720-I723 PolarHBondContact O-N 2.92Å; I723-V727 HydrophobicContact CG2-CB 3.78Å; I723-V727 HydrophobicContact CG2-CG1 3.79Å; I723-L728 HydrophobicContact CB-CD2 4.37Å; I723-L728 HydrophobicContact CB-CG 4.41Å; I723-L728 HydrophobicContact CD1-CD2 4.45Å; I723-L728 HydrophobicContact CG2-CD2 3.87Å; I723-L728 HydrophobicContact CG2-CG 3.83Å; I723-W740 PolarHBondContact O-NE1 2.86Å; I723-V768 VanDerWaalsContact O-CG1 3.29Å; I723-V768 WeakPolarHBondContact O-CG1 3.1Å
724	A	92.1	Very high	75.1	Confident	2 Å²	2	56.9 Å²	56.9	2%	0.017	33%	0.33	C	S	.	.			trans	-69.9	147.3	177.1	0	0	0	0	0	112	Y722 E726 V727 L728 C737 W740	Y722-A724 PolarHBondContact O-N 2.89Å; A724-E726 VanDerWaalsContact C-N 3.29Å; A724-E726 HydrophobicContact CB-CG 4.49Å; A724-E726 WeakPolarHBondContact CB-OE1 3.29Å; A724-E726 PolarHBondContact O-N 2.96Å; A724-V727 HydrophobicContact CB-CG2 4.21Å; A724-V727 WeakPolarHBondContact O-CB 3.3Å; A724-V727 PolarHBondContact O-N 3.45Å; A724-L728 PolarHBondContact O-N 3.12Å; A724-C737 HydrophobicContact CB-CB 3.61Å; A724-W740 VanDerWaalsContact CA-CD1 3.47Å; A724-W740 HydrophobicContact CB-CB 3.8Å; A724-W740 HydrophobicContact CB-CD2 4.36Å; A724-W740 HydrophobicContact CB-CG 3.73Å
725	P	92.8	Very high	76.8	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-37.3	-176.7	22.3	-33	0	0	0	112.8	V727 L728 L729 W740 V768	P725-V727 VanDerWaalsContact C-N 3.25Å; P725-V727 PolarHBondContact O-N 3.25Å; P725-L728 PolarHBondContact O-N 2.7Å; P725-L729 WeakPolarHBondContact O-CB 3.22Å; P725-L729 VanDerWaalsContact O-CG 3.24Å; P725-L729 WeakPolarHBondContact O-CG 3.44Å; P725-L729 PolarHBondContact O-N 3.25Å; P725-W740 HydrophobicContact CG-CE3 4.35Å; P725-W740 HydrophobicContact CG-CH2 4.08Å; P725-W740 HydrophobicContact CG-CZ2 4.36Å; P725-W740 HydrophobicContact CG-CZ3 4.07Å; P725-V768 HydrophobicContact CB-CG1 4.19Å
726	E	90.6	Very high	79	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-65.9	-26.9	177.9	65.9	-84.6	-165.7	0	0	113.7	A724 R730 V731 C737 V798 R801	A724-E726 VanDerWaalsContact C-N 3.29Å; A724-E726 HydrophobicContact CB-CG 4.49Å; A724-E726 WeakPolarHBondContact CB-OE1 3.29Å; A724-E726 PolarHBondContact O-N 2.96Å; E726-R730 PolarHBondContact O-N 2.83Å; E726-V731 HydrophobicContact CB-CG2 3.89Å; E726-V731 PolarHBondContact O-N 3.13Å; E726-C737 WeakPolarHBondContact OE1-CA 3.42Å; E726-C737 WeakPolarHBondContact OE1-CB 3.36Å; E726-V798 HydrophobicContact CB-CG2 3.92Å; E726-V798 VanDerWaalsContact CD-CG2 3.43Å; E726-V798 HydrophobicContact CG-CG2 3.82Å; E726-V798 WeakPolarHBondContact OE2-CG2 3.45Å; E726-R801 IonicContact OE1-CZ 2.78Å; E726-R801 IonicContact OE1-NH1 3.77Å; E726-R801 PolarHBondContact OE1-NH1 2.88Å; E726-R801 IonicContact OE1-NH2 2.88Å; E726-R801 PolarHBondContact OE1-NH2 2.86Å; E726-R801 IonicContact OE2-CZ 3.08Å; E726-R801 IonicContact OE2-NH1 3.91Å; E726-R801 IonicContact OE2-NH2 2.78Å; E726-R801 PolarHBondContact OE2-NH2 2.76Å
727	V	86.8	Confident	81.4	Confident	38 Å²	38	51.1 Å²	51.1	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-74.2	-42.6	175.2	179.1	0	0	0	0	109.6	I723 A724 P725 R730 Y733 C737	I723-V727 HydrophobicContact CG2-CB 3.78Å; I723-V727 HydrophobicContact CG2-CG1 3.79Å; A724-V727 HydrophobicContact CB-CG2 4.21Å; A724-V727 WeakPolarHBondContact O-CB 3.3Å; A724-V727 PolarHBondContact O-N 3.45Å; P725-V727 VanDerWaalsContact C-N 3.25Å; P725-V727 PolarHBondContact O-N 3.25Å; V727-R730 PolarHBondContact O-N 2.65Å; V727-Y733 HydrophobicContact CG2-CD1 4.27Å; V727-Y733 HydrophobicContact CG2-CG 4Å; V727-C737 HydrophobicContact CG2-CB 3.68Å
728	L	86.2	Confident	83.7	Confident	39 Å²	39	44.5 Å²	44.5	20%	0.204	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-42.4	174.3	-67.2	177.6	0	0	0	112.3	P720 I723 A724 P725 R730 Q765 V768 I769	P720-L728 HydrophobicContact CB-CD2 4.41Å; I723-L728 HydrophobicContact CB-CD2 4.37Å; I723-L728 HydrophobicContact CB-CG 4.41Å; I723-L728 HydrophobicContact CD1-CD2 4.45Å; I723-L728 HydrophobicContact CG2-CD2 3.87Å; I723-L728 HydrophobicContact CG2-CG 3.83Å; A724-L728 PolarHBondContact O-N 3.12Å; P725-L728 PolarHBondContact O-N 2.7Å; L728-R730 PolarHBondContact O-N 3.04Å; L728-Q765 HydrophobicContact CD1-CB 4.19Å; L728-Q765 HydrophobicContact CD1-CG 4.1Å; L728-Q765 HydrophobicContact CD2-CG 4.12Å; L728-V768 HydrophobicContact CD1-CB 3.92Å; L728-V768 HydrophobicContact CD1-CG1 3.65Å; L728-I769 HydrophobicContact CB-CG1 4.5Å; L728-I769 HydrophobicContact CD1-CG1 4.39Å
729	L	86.4	Confident	85.8	Confident	90 Å²	90	41.7 Å²	41.7	47%	0.471	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.3	-178.9	-68.5	171.9	0	0	0	113.6	P725 V731 I769	P725-L729 WeakPolarHBondContact O-CB 3.22Å; P725-L729 VanDerWaalsContact O-CG 3.24Å; P725-L729 WeakPolarHBondContact O-CG 3.44Å; P725-L729 PolarHBondContact O-N 3.25Å; L729-V731 HydrophobicContact CB-CG1 4Å; L729-V731 HydrophobicContact CB-CG2 4.13Å; L729-V731 PolarHBondContact O-N 3.38Å; L729-V731 VanDerWaalsContact O-N 3.13Å; L729-I769 HydrophobicContact CD2-CD1 4.06Å; L729-I769 HydrophobicContact CD2-CG1 4.17Å; L729-I769 HydrophobicContact CD2-CG2 4.15Å; L729-I769 HydrophobicContact CG-CG1 4.33Å
730	R	78.9	Confident	87.3	Confident	178 Å²	178	40.4 Å²	40.4	67%	0.672	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	27.6	-179.6	-51.5	-179.2	178.5	-167.3	-3.2	113.8	D682 E726 V727 L728 G732	D682-R730 IonicContact OD1-NH1 3.76Å; D682-R730 IonicContact OD1-NH2 3.67Å; D682-R730 IonicContact OD2-CZ 2.87Å; D682-R730 IonicContact OD2-NH1 2.72Å; D682-R730 PolarHBondContact OD2-NH1 3.02Å; D682-R730 IonicContact OD2-NH2 3.65Å; E726-R730 PolarHBondContact O-N 2.83Å; V727-R730 PolarHBondContact O-N 2.65Å; L728-R730 PolarHBondContact O-N 3.04Å; R730-G732 PolarHBondContact O-N 3.39Å
731	V	74.1	Confident	88.2	Confident	109 Å²	109	40.2 Å²	40.2	66%	0.661	21%	0.212	S	C	*	.	S	Bend	trans	-80.4	10.7	-177.6	-70.7	0	0	0	0	113.7	E726 L729	E726-V731 HydrophobicContact CB-CG2 3.89Å; E726-V731 PolarHBondContact O-N 3.13Å; L729-V731 HydrophobicContact CB-CG1 4Å; L729-V731 HydrophobicContact CB-CG2 4.13Å; L729-V731 PolarHBondContact O-N 3.38Å; L729-V731 VanDerWaalsContact O-N 3.13Å
732	G	67.5	Low	88.7	Confident	52 Å²	52	39.9 Å²	39.9	54%	0.536	21%	0.21	S	C	.	.			trans	82.1	140.1	-164	0	0	0	0	0	110.3	R730	R730-G732 PolarHBondContact O-N 3.39Å
733	Y	77.3	Confident	88.9	Confident	76 Å²	76	38.9 Å²	38.9	30%	0.298	21%	0.206	S	C	.	.			trans	-135.9	160.9	-178.4	59.8	-91	0	0	0	109.7	I637 R639 T663 V727	I637-Y733 HydrophobicContact CD1-CD2 4.46Å; I637-Y733 HydrophobicContact CD1-CE2 4.31Å; R639-Y733 VanDerWaalsContact CD-CZ 3.46Å; R639-Y733 WeakPolarHBondContact CD-OH 3.5Å; R639-Y733 HydrophobicContact CG-CE2 4.06Å; R639-Y733 PolarHBondContact NH1-OH 3.42Å; T663-Y733 HydrophobicContact CG2-CE2 4.16Å; V727-Y733 HydrophobicContact CG2-CD1 4.27Å; V727-Y733 HydrophobicContact CG2-CG 4Å
734	T	85.4	Confident	89.2	Confident	67 Å²	67	36.5 Å²	36.5	41%	0.411	19%	0.194	S	C	.	.			trans	-122.7	-176.2	176.5	64.6	0	0	0	0	109	L736 C737	T734-L736 PolarHBondContact O-N 3.31Å; T734-L736 WeakPolarHBondContact OG1-CB 3.45Å; T734-L736 WeakPolarHBondContact OG1-CG 3.49Å; T734-L736 PolarHBondContact OG1-N 3.01Å; T734-C737 PolarHBondContact O-N 2.82Å; T734-C737 PolarHBondContact O-SG 3.38Å
735	Q	89.8	Confident	89.5	Confident	81 Å²	81	36.4 Å²	36.4	38%	0.379	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-15.5	173.7	74.2	-173.7	74.8	0	0	113.7	H632 I637 C737 D738	H632-Q735 PolarHBondContact CE1-O 3.36Å; H632-Q735 PolarHBondContact ND1-NE2 3.48Å; I637-Q735 HydrophobicContact CD1-CB 4.47Å; I637-Q735 HydrophobicContact CG1-CB 4.01Å; Q735-C737 PolarHBondContact O-N 3.1Å; Q735-D738 PolarHBondContact O-N 3.01Å
736	L	93.4	Very high	89.7	Confident	12 Å²	12	36 Å²	36	6%	0.063	19%	0.19	C	C	.	.	H	α-helix	trans	-62.7	-21.7	177.9	-60.7	-179.6	0	0	0	113.8	T734 D738 W739 W740 V798 R801 G803 K804	T734-L736 PolarHBondContact O-N 3.31Å; T734-L736 WeakPolarHBondContact OG1-CB 3.45Å; T734-L736 WeakPolarHBondContact OG1-CG 3.49Å; T734-L736 PolarHBondContact OG1-N 3.01Å; L736-D738 PolarHBondContact O-N 3.41Å; L736-W739 PolarHBondContact O-N 3.14Å; L736-W740 PolarHBondContact O-N 3.33Å; L736-V798 HydrophobicContact CD1-CG1 3.95Å; L736-R801 VanDerWaalsContact C-NH1 3.27Å; L736-R801 WeakPolarHBondContact O-CD 3.46Å; L736-R801 PolarHBondContact O-NH1 3.34Å; L736-G803 WeakPolarHBondContact CD2-O 3.22Å; L736-K804 HydrophobicContact CD1-CG 4.12Å; L736-K804 HydrophobicContact CD2-CG 4.19Å
737	C	92.6	Very high	90	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-28.5	175.6	64.9	0	0	0	0	112.8	A724 E726 V727 T734 Q735 W739 W740 S741	A724-C737 HydrophobicContact CB-CB 3.61Å; E726-C737 WeakPolarHBondContact OE1-CA 3.42Å; E726-C737 WeakPolarHBondContact OE1-CB 3.36Å; V727-C737 HydrophobicContact CG2-CB 3.68Å; T734-C737 PolarHBondContact O-N 2.82Å; T734-C737 PolarHBondContact O-SG 3.38Å; Q735-C737 PolarHBondContact O-N 3.1Å; C737-W739 VanDerWaalsContact C-N 3.35Å; C737-W740 WeakPolarHBondContact O-CB 3.48Å; C737-W740 PolarHBondContact O-N 3.24Å; C737-S741 PolarHBondContact O-N 2.74Å; C737-S741 PolarHBondContact O-OG 3.36Å; C737-S741 VanDerWaalsContact O-OG 3.1Å
738	D	95	Very high	90.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.3	-37.1	175.2	-65.6	-27.6	0	0	0	110.5	V628 H632 I637 H638 R639 I641 Q735 L736 W740 S741 V742	V628-D738 HydrophobicContact CG1-CB 3.83Å; H632-D738 IonicContact CD2-OD2 3.5Å; H632-D738 IonicContact CE1-OD2 3.85Å; H632-D738 IonicContact NE2-OD2 2.97Å; H632-D738 PolarHBondContact NE2-OD2 3.14Å; I637-D738 WeakPolarHBondContact CG2-OD2 3.4Å; H638-D738 PolarHBondContact N-OD1 3.08Å; H638-D738 PolarHBondContact N-OD2 2.91Å; R639-D738 PolarHBondContact N-OD1 3.41Å; I641-D738 HydrophobicContact CG1-CB 4.18Å; Q735-D738 PolarHBondContact O-N 3.01Å; L736-D738 PolarHBondContact O-N 3.41Å; D738-W740 VanDerWaalsContact C-N 3.33Å; D738-W740 PolarHBondContact O-N 3.22Å; D738-S741 VanDerWaalsContact O-CB 3.28Å; D738-S741 WeakPolarHBondContact O-CB 3.45Å; D738-S741 PolarHBondContact O-N 3.07Å; D738-S741 VanDerWaalsContact O-N 3.11Å; D738-V742 WeakPolarHBondContact O-CG2 3.2Å; D738-V742 PolarHBondContact O-N 3.01Å
739	W	97.4	Very high	90.9	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-31.7	176.8	-59.6	132.4	0	0	0	113.5	V625 V628 H632 L736 C737 S741 V742 G743 L794 G803 V806 I809	V625-W739 HydrophobicContact CB-CZ3 4.28Å; V625-W739 HydrophobicContact CG1-CH2 4.16Å; V625-W739 HydrophobicContact CG1-CZ3 4.23Å; V625-W739 HydrophobicContact CG2-CZ3 4.03Å; V628-W739 HydrophobicContact CB-CH2 3.91Å; V628-W739 HydrophobicContact CB-CZ3 3.91Å; V628-W739 HydrophobicContact CG1-CD2 4.46Å; V628-W739 HydrophobicContact CG1-CE3 4.18Å; V628-W739 HydrophobicContact CG1-CH2 3.69Å; V628-W739 HydrophobicContact CG1-CZ2 4.01Å; V628-W739 HydrophobicContact CG1-CZ3 3.78Å; H632-W739 AromaticContact CE1-CE2 3.93Å; H632-W739 AromaticContact CE1-NE1 3.94Å; H632-W739 AromaticContact ND1-CZ2 3.9Å; L736-W739 PolarHBondContact O-N 3.14Å; C737-W739 VanDerWaalsContact C-N 3.35Å; W739-S741 VanDerWaalsContact C-N 3.33Å; W739-V742 HydrophobicContact CE3-CB 4.48Å; W739-V742 HydrophobicContact CE3-CG2 4.04Å; W739-V742 HydrophobicContact CZ3-CG2 4.39Å; W739-V742 PolarHBondContact O-N 3.26Å; W739-G743 PolarHBondContact O-N 2.86Å; W739-L794 HydrophobicContact CB-CD2 4.04Å; W739-G803 PolarHBondContact NE1-O 3.43Å; W739-V806 HydrophobicContact CH2-CG2 3.94Å; W739-V806 HydrophobicContact CZ2-CB 4.41Å; W739-V806 HydrophobicContact CZ2-CG2 3.9Å; W739-I809 HydrophobicContact CB-CD1 4.47Å; W739-I809 HydrophobicContact CD2-CD1 3.44Å; W739-I809 VanDerWaalsContact CD2-CD1 3.44Å; W739-I809 HydrophobicContact CE3-CD1 3.56Å; W739-I809 HydrophobicContact CG-CD1 3.86Å; W739-I809 HydrophobicContact CH2-CD1 4.28Å; W739-I809 HydrophobicContact CZ2-CD1 4.16Å; W739-I809 HydrophobicContact CZ3-CD1 3.99Å
740	W	97	Very high	91.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-48	168.5	172.7	-82.8	0	0	0	111.1	I723 A724 P725 L736 C737 D738 V742 G743 V744 F756 V768 W771 C795	I723-W740 PolarHBondContact O-NE1 2.86Å; A724-W740 VanDerWaalsContact CA-CD1 3.47Å; A724-W740 HydrophobicContact CB-CB 3.8Å; A724-W740 HydrophobicContact CB-CD2 4.36Å; A724-W740 HydrophobicContact CB-CG 3.73Å; P725-W740 HydrophobicContact CG-CE3 4.35Å; P725-W740 HydrophobicContact CG-CH2 4.08Å; P725-W740 HydrophobicContact CG-CZ2 4.36Å; P725-W740 HydrophobicContact CG-CZ3 4.07Å; L736-W740 PolarHBondContact O-N 3.33Å; C737-W740 WeakPolarHBondContact O-CB 3.48Å; C737-W740 PolarHBondContact O-N 3.24Å; D738-W740 VanDerWaalsContact C-N 3.33Å; D738-W740 PolarHBondContact O-N 3.22Å; W740-V742 VanDerWaalsContact C-N 3.28Å; W740-V742 PolarHBondContact O-N 3.48Å; W740-G743 WeakPolarHBondContact O-CA 3.04Å; W740-G743 PolarHBondContact O-N 2.86Å; W740-V744 WeakPolarHBondContact O-CG2 3.33Å; W740-V744 PolarHBondContact O-N 3.41Å; W740-F756 HydrophobicContact CH2-CE2 4.23Å; W740-F756 HydrophobicContact CH2-CZ 4.04Å; W740-F756 HydrophobicContact CZ2-CD2 4.42Å; W740-F756 AromaticContact CZ2-CE2 3.44Å; W740-F756 HydrophobicContact CZ2-CE2 3.44Å; W740-F756 VanDerWaalsContact CZ2-CE2 3.44Å; W740-F756 AromaticContact CZ2-CZ 3.71Å; W740-F756 HydrophobicContact CZ2-CZ 3.71Å; W740-V768 HydrophobicContact CZ2-CG1 4.21Å; W740-W771 HydrophobicContact CH2-CB 3.58Å; W740-W771 AromaticContact CH2-CD1 3.86Å; W740-W771 HydrophobicContact CH2-CD2 4.02Å; W740-W771 AromaticContact CH2-CG 3.52Å; W740-W771 HydrophobicContact CH2-CG 3.52Å; W740-W771 HydrophobicContact CZ2-CB 4.29Å; W740-W771 HydrophobicContact CZ3-CD2 4.19Å; W740-W771 HydrophobicContact CZ3-CG 4.1Å; W740-C795 HydrophobicContact CE3-CB 4.21Å; W740-C795 HydrophobicContact CH2-CB 4.3Å; W740-C795 HydrophobicContact CZ3-CB 4.02Å
741	S	96.8	Very high	92.1	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-59.6	-41	179.8	-49.5	0	0	0	0	111.1	I641 Y722 C737 D738 W739 G743 V744 I745	I641-S741 WeakPolarHBondContact O-CB 3.22Å; Y722-S741 PolarHBondContact O-OG 3.33Å; C737-S741 PolarHBondContact O-N 2.74Å; C737-S741 PolarHBondContact O-OG 3.36Å; C737-S741 VanDerWaalsContact O-OG 3.1Å; D738-S741 VanDerWaalsContact O-CB 3.28Å; D738-S741 WeakPolarHBondContact O-CB 3.45Å; D738-S741 PolarHBondContact O-N 3.07Å; D738-S741 VanDerWaalsContact O-N 3.11Å; W739-S741 VanDerWaalsContact C-N 3.33Å; S741-G743 PolarHBondContact O-N 2.87Å; S741-V744 PolarHBondContact O-N 2.7Å; S741-I745 VanDerWaalsContact O-CG1 3.29Å; S741-I745 WeakPolarHBondContact O-CG1 3.22Å; S741-I745 PolarHBondContact O-N 3.09Å
742	V	98.3	Very high	92.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.4	-43.4	172.8	176.1	0	0	0	0	111.7	I621 L624 V628 I641 D738 W739 W740 V744 I745 L746 L794	I621-V742 HydrophobicContact CD1-CG1 4.31Å; I621-V742 HydrophobicContact CG2-CG1 4.03Å; L624-V742 HydrophobicContact CD2-CB 4.47Å; L624-V742 HydrophobicContact CD2-CG1 4.27Å; L624-V742 HydrophobicContact CD2-CG2 3.91Å; L624-V742 HydrophobicContact CG-CG2 4.03Å; V628-V742 HydrophobicContact CG2-CG2 4.25Å; I641-V742 HydrophobicContact CG2-CG2 4.49Å; D738-V742 WeakPolarHBondContact O-CG2 3.2Å; D738-V742 PolarHBondContact O-N 3.01Å; W739-V742 HydrophobicContact CE3-CB 4.48Å; W739-V742 HydrophobicContact CE3-CG2 4.04Å; W739-V742 HydrophobicContact CZ3-CG2 4.39Å; W739-V742 PolarHBondContact O-N 3.26Å; W740-V742 VanDerWaalsContact C-N 3.28Å; W740-V742 PolarHBondContact O-N 3.48Å; V742-V744 PolarHBondContact O-N 3.18Å; V742-I745 PolarHBondContact O-N 3.17Å; V742-L746 PolarHBondContact O-N 3.45Å; V742-L794 HydrophobicContact CG1-CD1 4.26Å
743	G	98	Very high	94	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.9	-40	176.4	0	0	0	0	0	113.3	W739 W740 S741 L746 Y747 C795	W739-G743 PolarHBondContact O-N 2.86Å; W740-G743 WeakPolarHBondContact O-CA 3.04Å; W740-G743 PolarHBondContact O-N 2.86Å; S741-G743 PolarHBondContact O-N 2.87Å; G743-L746 PolarHBondContact O-N 2.93Å; G743-Y747 PolarHBondContact O-N 3.35Å; G743-C795 VanDerWaalsContact C-SG 3.57Å
744	V	97.3	Very high	94.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.6	-43.7	174.7	175.4	0	0	0	0	111	Y722 W740 S741 V742 Y747 E748 P754 P755 F756	Y722-V744 HydrophobicContact CD1-CB 4.06Å; Y722-V744 HydrophobicContact CD1-CG1 3.41Å; Y722-V744 VanDerWaalsContact CD1-CG1 3.41Å; Y722-V744 HydrophobicContact CE1-CG1 3.81Å; Y722-V744 HydrophobicContact CG-CG1 4.31Å; W740-V744 WeakPolarHBondContact O-CG2 3.33Å; W740-V744 PolarHBondContact O-N 3.41Å; S741-V744 PolarHBondContact O-N 2.7Å; V742-V744 PolarHBondContact O-N 3.18Å; V744-Y747 PolarHBondContact O-N 2.91Å; V744-E748 WeakPolarHBondContact O-CB 3.4Å; V744-E748 PolarHBondContact O-N 3.2Å; V744-P754 HydrophobicContact CG1-CB 4.32Å; V744-P755 HydrophobicContact CG1-CG 4.35Å; V744-F756 HydrophobicContact CG2-CE2 4.13Å
745	I	97.2	Very high	95.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.3	-43.8	177.1	-68.1	168.5	0	0	0	110.8	L602 I621 L624 I641 P643 I646 Y722 S741 V742 Y747 E748 M749	L602-I745 HydrophobicContact CD2-CG2 4.33Å; I621-I745 HydrophobicContact CD1-CG2 4.13Å; L624-I745 HydrophobicContact CD2-CD1 4.06Å; L624-I745 HydrophobicContact CD2-CG2 4.48Å; I641-I745 HydrophobicContact CG2-CD1 3.72Å; P643-I745 HydrophobicContact CG-CG1 4.15Å; I646-I745 HydrophobicContact CD1-CD1 3.91Å; Y722-I745 HydrophobicContact CD1-CG1 3.86Å; Y722-I745 HydrophobicContact CE1-CG1 3.94Å; S741-I745 VanDerWaalsContact O-CG1 3.29Å; S741-I745 WeakPolarHBondContact O-CG1 3.22Å; S741-I745 PolarHBondContact O-N 3.09Å; V742-I745 PolarHBondContact O-N 3.17Å; I745-Y747 PolarHBondContact O-N 3.43Å; I745-E748 PolarHBondContact O-N 3.39Å; I745-M749 HydrophobicContact CG2-CE 3.66Å; I745-M749 HydrophobicContact CG2-SD 4.38Å; I745-M749 WeakPolarHBondContact O-CG 3.44Å; I745-M749 PolarHBondContact O-N 2.98Å
746	L	98.3	Very high	95.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60	-47	175.8	171.7	58.2	0	0	0	111.1	A617 I621 V742 G743 E748 M749 V750 L790 I791 F814	A617-L746 HydrophobicContact CB-CD1 4.18Å; I621-L746 HydrophobicContact CD1-CB 3.89Å; I621-L746 HydrophobicContact CG1-CB 4.02Å; I621-L746 HydrophobicContact CG1-CD1 3.96Å; I621-L746 HydrophobicContact CG1-CG 4.45Å; V742-L746 PolarHBondContact O-N 3.45Å; G743-L746 PolarHBondContact O-N 2.93Å; L746-E748 VanDerWaalsContact C-N 3.28Å; L746-E748 PolarHBondContact O-N 2.82Å; L746-M749 WeakPolarHBondContact O-CB 3.31Å; L746-M749 PolarHBondContact O-N 3.17Å; L746-V750 HydrophobicContact CD1-CG1 4.2Å; L746-V750 WeakPolarHBondContact O-CG2 3.24Å; L746-V750 PolarHBondContact O-N 3.42Å; L746-L790 HydrophobicContact CD2-CB 4.31Å; L746-L790 HydrophobicContact CD2-CD2 3.62Å; L746-L790 HydrophobicContact CD2-CG 3.89Å; L746-I791 HydrophobicContact CB-CG1 4.39Å; L746-I791 HydrophobicContact CD2-CG1 3.68Å; L746-I791 HydrophobicContact CG-CD1 4.17Å; L746-I791 HydrophobicContact CG-CG1 3.74Å; L746-F814 HydrophobicContact CD1-CE1 4.36Å; L746-F814 HydrophobicContact CD1-CZ 4.35Å
747	Y	97.5	Very high	95	Very high	10 Å²	10	7.1 Å²	7.1	4%	0.039	4%	0.042	C	C	.	.	H	α-helix	trans	-55	-47.5	174.4	180	-74.1	0	0	0	110.7	G743 V744 I745 M749 V750 V751 Q753 P755 L775 R776 I777 I791	G743-Y747 PolarHBondContact O-N 3.35Å; V744-Y747 PolarHBondContact O-N 2.91Å; I745-Y747 PolarHBondContact O-N 3.43Å; Y747-M749 PolarHBondContact O-N 3.4Å; Y747-V750 PolarHBondContact O-N 2.95Å; Y747-V751 HydrophobicContact CD1-CB 3.93Å; Y747-V751 HydrophobicContact CD1-CG1 4.49Å; Y747-V751 HydrophobicContact CD1-CG2 3.98Å; Y747-V751 HydrophobicContact CD2-CG2 4.17Å; Y747-V751 HydrophobicContact CE1-CB 3.63Å; Y747-V751 HydrophobicContact CE1-CG1 3.69Å; Y747-V751 HydrophobicContact CE1-CG2 3.8Å; Y747-V751 HydrophobicContact CE2-CG2 4.02Å; Y747-V751 HydrophobicContact CG-CG2 4.16Å; Y747-V751 VanDerWaalsContact O-CB 3.25Å; Y747-V751 WeakPolarHBondContact O-CB 3.31Å; Y747-V751 WeakPolarHBondContact O-CG2 3.29Å; Y747-V751 PolarHBondContact O-N 2.96Å; Y747-Q753 VanDerWaalsContact CD1-O 3.26Å; Y747-Q753 WeakPolarHBondContact CD1-O 3.37Å; Y747-Q753 WeakPolarHBondContact CE1-O 3.43Å; Y747-P755 HydrophobicContact CD1-CB 3.83Å; Y747-P755 VanDerWaalsContact CD1-CD 3.43Å; Y747-P755 HydrophobicContact CD1-CG 3.98Å; Y747-P755 HydrophobicContact CD2-CB 4.04Å; Y747-P755 HydrophobicContact CD2-CG 4.41Å; Y747-P755 HydrophobicContact CE1-CB 3.71Å; Y747-P755 HydrophobicContact CE1-CG 4.35Å; Y747-P755 HydrophobicContact CE2-CB 3.9Å; Y747-P755 HydrophobicContact CG-CB 4.01Å; Y747-P755 HydrophobicContact CG-CG 4.02Å; Y747-L775 HydrophobicContact CD2-CD1 4.19Å; Y747-L775 HydrophobicContact CE2-CD1 4.19Å; Y747-R776 PolarHBondContact OH-O 2.85Å; Y747-I777 HydrophobicContact CD2-CG1 4.02Å; Y747-I777 HydrophobicContact CE2-CB 4.46Å; Y747-I777 HydrophobicContact CE2-CG1 3.71Å; Y747-I791 HydrophobicContact CD2-CD1 4.45Å; Y747-I791 HydrophobicContact CD2-CG2 4.12Å
748	E	95.2	Very high	94.8	Very high	1 Å²	1	8 Å²	8	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-62.6	-40.5	-179.5	-179.1	172.8	-158.5	0	0	112.7	L606 H710 Y722 V744 I745 L746 V750 G752	L606-E748 HydrophobicContact CD1-CG 4.17Å; H710-E748 IonicContact CD2-OE1 3.36Å; H710-E748 PolarHBondContact CD2-OE1 2.99Å; H710-E748 IonicContact CE1-OE1 2.66Å; H710-E748 IonicContact NE2-OE1 3.65Å; H710-E748 PolarHBondContact NE2-OE1 3.24Å; Y722-E748 WeakPolarHBondContact CE1-OE2 3.36Å; Y722-E748 VanDerWaalsContact CZ-OE2 3.31Å; Y722-E748 PolarHBondContact OH-OE1 3.31Å; Y722-E748 PolarHBondContact OH-OE2 2.89Å; V744-E748 WeakPolarHBondContact O-CB 3.4Å; V744-E748 PolarHBondContact O-N 3.2Å; I745-E748 PolarHBondContact O-N 3.39Å; L746-E748 VanDerWaalsContact C-N 3.28Å; L746-E748 PolarHBondContact O-N 2.82Å; E748-V750 VanDerWaalsContact C-N 3.35Å; E748-V750 PolarHBondContact O-N 3.5Å; E748-G752 WeakPolarHBondContact O-CA 3.29Å; E748-G752 PolarHBondContact O-N 2.98Å
749	M	96.6	Very high	94.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.4	-46	175.8	-74.5	174	177.1	0	0	112	L602 L606 F612 A617 I621 I745 L746 Y747	L602-M749 HydrophobicContact CD1-CE 4.15Å; L602-M749 HydrophobicContact CD2-CE 3.63Å; L602-M749 HydrophobicContact CG-CE 4.3Å; L606-M749 HydrophobicContact CD2-CB 4.34Å; L606-M749 HydrophobicContact CD2-CG 3.78Å; F612-M749 HydrophobicContact CB-CB 4.3Å; F612-M749 HydrophobicContact CD2-CB 4.1Å; F612-M749 HydrophobicContact CD2-CG 3.83Å; F612-M749 HydrophobicContact CD2-SD 4.12Å; F612-M749 HydrophobicContact CE2-CE 4.2Å; F612-M749 HydrophobicContact CE2-CG 4.03Å; F612-M749 HydrophobicContact CE2-SD 4.32Å; F612-M749 HydrophobicContact CG-CB 4.33Å; F612-M749 HydrophobicContact CG-CG 4.46Å; F612-M749 PolarHBondContact N-O 3.16Å; A617-M749 HydrophobicContact CB-CB 4.14Å; A617-M749 HydrophobicContact CB-SD 4.14Å; I621-M749 HydrophobicContact CD1-CE 4.01Å; I621-M749 HydrophobicContact CD1-SD 3.79Å; I621-M749 HydrophobicContact CG1-CE 4.47Å; I621-M749 HydrophobicContact CG1-SD 3.82Å; I745-M749 HydrophobicContact CG2-CE 3.66Å; I745-M749 HydrophobicContact CG2-SD 4.38Å; I745-M749 WeakPolarHBondContact O-CG 3.44Å; I745-M749 PolarHBondContact O-N 2.98Å; L746-M749 WeakPolarHBondContact O-CB 3.31Å; L746-M749 PolarHBondContact O-N 3.17Å; Y747-M749 PolarHBondContact O-N 3.4Å
750	V	96.6	Very high	93.6	Very high	6 Å²	6	16 Å²	16	4%	0.036	9%	0.09	C	C	.	.	H	α-helix	trans	-94.4	-18.9	-171.4	-57.2	0	0	0	0	114.2	I611 A617 L746 Y747 E748 L783 V787 I791	I611-V750 WeakPolarHBondContact CG2-O 3.49Å; A617-V750 HydrophobicContact CB-CG1 3.76Å; L746-V750 HydrophobicContact CD1-CG1 4.2Å; L746-V750 WeakPolarHBondContact O-CG2 3.24Å; L746-V750 PolarHBondContact O-N 3.42Å; Y747-V750 PolarHBondContact O-N 2.95Å; E748-V750 VanDerWaalsContact C-N 3.35Å; E748-V750 PolarHBondContact O-N 3.5Å; V750-L783 HydrophobicContact CB-CD1 4.45Å; V750-L783 HydrophobicContact CB-CD2 3.76Å; V750-L783 HydrophobicContact CG2-CD1 3.66Å; V750-L783 HydrophobicContact CG2-CD2 3.91Å; V750-L783 HydrophobicContact CG2-CG 4.46Å; V750-V787 HydrophobicContact CG1-CG1 4.44Å; V750-V787 HydrophobicContact CG2-CG1 3.98Å; V750-I791 HydrophobicContact CG2-CD1 4.11Å
751	V	93.8	Very high	93	Very high	11 Å²	11	17 Å²	17	7%	0.067	10%	0.096	C	C	.	.	H	α-helix	trans	-103.6	-23.9	177.3	-177.3	0	0	0	0	112.3	Y747 P778 L783	Y747-V751 HydrophobicContact CD1-CB 3.93Å; Y747-V751 HydrophobicContact CD1-CG1 4.49Å; Y747-V751 HydrophobicContact CD1-CG2 3.98Å; Y747-V751 HydrophobicContact CD2-CG2 4.17Å; Y747-V751 HydrophobicContact CE1-CB 3.63Å; Y747-V751 HydrophobicContact CE1-CG1 3.69Å; Y747-V751 HydrophobicContact CE1-CG2 3.8Å; Y747-V751 HydrophobicContact CE2-CG2 4.02Å; Y747-V751 HydrophobicContact CG-CG2 4.16Å; Y747-V751 VanDerWaalsContact O-CB 3.25Å; Y747-V751 WeakPolarHBondContact O-CB 3.31Å; Y747-V751 WeakPolarHBondContact O-CG2 3.29Å; Y747-V751 PolarHBondContact O-N 2.96Å; V751-P778 HydrophobicContact CG1-CG 4.06Å; V751-L783 HydrophobicContact CG2-CD1 4.24Å
752	G	90.1	Very high	92.5	Very high	17 Å²	17	22.4 Å²	22.4	18%	0.175	12%	0.121	C	C	.	.	S	Bend	trans	89.2	3.9	177.3	0	0	0	0	0	115.9	G610 E748	G610-G752 VanDerWaalsContact O-CA 3.3Å; G610-G752 WeakPolarHBondContact O-CA 3.38Å; E748-G752 WeakPolarHBondContact O-CA 3.29Å; E748-G752 PolarHBondContact O-N 2.98Å
753	Q	90.2	Very high	92.2	Very high	50 Å²	50	25.9 Å²	25.9	23%	0.234	14%	0.138	C	C	.	.	S	Bend	trans	-155.1	155	170.9	67.4	178.8	22.4	0	0	109.5	Y747 L757	Y747-Q753 VanDerWaalsContact CD1-O 3.26Å; Y747-Q753 WeakPolarHBondContact CD1-O 3.37Å; Y747-Q753 WeakPolarHBondContact CE1-O 3.43Å; Q753-L757 HydrophobicContact CB-CD2 4.43Å
754	P	92.6	Very high	91.8	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.019	14%	0.138	C	C	.	.			trans	-67.8	148.3	177.7	22.5	-26.3	0	0	0	111.6	N721 V744 F756 L757	N721-P754 HydrophobicContact CB-CB 4.22Å; N721-P754 HydrophobicContact CB-CG 4.3Å; V744-P754 HydrophobicContact CG1-CB 4.32Å; P754-F756 VanDerWaalsContact C-N 3.3Å; P754-F756 PolarHBondContact O-N 3.28Å; P754-L757 HydrophobicContact CG-CB 4.14Å; P754-L757 HydrophobicContact CG-CD1 4.41Å; P754-L757 PolarHBondContact O-N 3.42Å
755	P	92.7	Very high	91.5	Very high	18 Å²	18	29.6 Å²	29.6	12%	0.117	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.9	-172.6	23.9	-30.8	0	0	0	113.6	V744 Y747 L775	V744-P755 HydrophobicContact CG1-CG 4.35Å; Y747-P755 HydrophobicContact CD1-CB 3.83Å; Y747-P755 VanDerWaalsContact CD1-CD 3.43Å; Y747-P755 HydrophobicContact CD1-CG 3.98Å; Y747-P755 HydrophobicContact CD2-CB 4.04Å; Y747-P755 HydrophobicContact CD2-CG 4.41Å; Y747-P755 HydrophobicContact CE1-CB 3.71Å; Y747-P755 HydrophobicContact CE1-CG 4.35Å; Y747-P755 HydrophobicContact CE2-CB 3.9Å; Y747-P755 HydrophobicContact CG-CB 4.01Å; Y747-P755 HydrophobicContact CG-CG 4.02Å; P755-L775 HydrophobicContact CB-CD1 3.54Å; P755-L775 HydrophobicContact CG-CD1 4.07Å
756	F	93.7	Very high	91.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	14.1	-174.4	-48.9	-62.3	0	0	0	113.5	W740 V744 P754 A758 T764 K767 V768 W771 S774 L775	W740-F756 HydrophobicContact CH2-CE2 4.23Å; W740-F756 HydrophobicContact CH2-CZ 4.04Å; W740-F756 HydrophobicContact CZ2-CD2 4.42Å; W740-F756 AromaticContact CZ2-CE2 3.44Å; W740-F756 HydrophobicContact CZ2-CE2 3.44Å; W740-F756 VanDerWaalsContact CZ2-CE2 3.44Å; W740-F756 AromaticContact CZ2-CZ 3.71Å; W740-F756 HydrophobicContact CZ2-CZ 3.71Å; V744-F756 HydrophobicContact CG2-CE2 4.13Å; P754-F756 VanDerWaalsContact C-N 3.3Å; P754-F756 PolarHBondContact O-N 3.28Å; F756-A758 PolarHBondContact O-N 3.45Å; F756-T764 PolarHBondContact O-OG1 3.11Å; F756-K767 HydrophobicContact CB-CB 4.01Å; F756-K767 HydrophobicContact CD1-CB 4.14Å; F756-K767 HydrophobicContact CG-CB 4.5Å; F756-V768 HydrophobicContact CB-CG2 3.74Å; F756-V768 HydrophobicContact CD2-CG2 3.71Å; F756-V768 HydrophobicContact CG-CG2 3.76Å; F756-W771 HydrophobicContact CE1-CB 3.87Å; F756-W771 HydrophobicContact CZ-CB 3.86Å; F756-S774 WeakPolarHBondContact CD1-OG 3.31Å; F756-S774 WeakPolarHBondContact CE1-OG 3.46Å; F756-L775 HydrophobicContact CE1-CB 3.99Å; F756-L775 HydrophobicContact CE1-CD1 4.43Å; F756-L775 HydrophobicContact CZ-CB 4.17Å; F756-L775 HydrophobicContact CZ-CD1 4.14Å
757	L	89.1	Confident	91.1	Very high	27 Å²	27	37 Å²	37	14%	0.141	19%	0.191	C	C	.	.			trans	-56	129	-179.9	-172.4	61.2	0	0	0	110.9	A713 Q753 P754 K767	A713-L757 HydrophobicContact CB-CD1 3.87Å; Q753-L757 HydrophobicContact CB-CD2 4.43Å; P754-L757 HydrophobicContact CG-CB 4.14Å; P754-L757 HydrophobicContact CG-CD1 4.41Å; P754-L757 PolarHBondContact O-N 3.42Å; L757-K767 PolarHBondContact O-NZ 3.23Å
758	A	87.8	Confident	90.9	Very high	20 Å²	20	36.6 Å²	36.6	17%	0.165	19%	0.189	C	C	.	.			trans	-139.3	175.4	176.5	0	0	0	0	0	110.6	F756 E763 T764 K767	F756-A758 PolarHBondContact O-N 3.45Å; A758-E763 HydrophobicContact CB-CB 3.43Å; A758-E763 VanDerWaalsContact CB-CB 3.43Å; A758-T764 WeakPolarHBondContact CB-OG1 3.18Å; A758-T764 PolarHBondContact N-OG1 3.25Å; A758-K767 HydrophobicContact CB-CD 4.18Å
759	E	83.3	Confident	90.8	Very high	123 Å²	123	39 Å²	39	58%	0.575	20%	0.202	S	C	*	.	S	Bend	trans	-78.4	-29.5	-178.5	-60.3	-166.1	161.4	0	0	111.9	E763	E759-E763 PolarHBondContact N-OE2 3.1Å
760	T	83.8	Confident	90.6	Very high	48 Å²	48	43 Å²	43	29%	0.294	22%	0.223	S	C	.	.	S	Bend	trans	-120.2	147.9	178.7	67.8	0	0	0	0	111.1	E762 E763 T764	T760-E762 PolarHBondContact O-N 3.39Å; T760-E763 PolarHBondContact O-N 3.39Å; T760-E763 WeakPolarHBondContact OG1-CB 3.5Å; T760-E763 WeakPolarHBondContact OG1-CG 3.37Å; T760-E763 PolarHBondContact OG1-N 3.07Å; T760-T764 PolarHBondContact O-N 3.17Å
761	P	84.6	Confident	90.5	Very high	21 Å²	21	43.8 Å²	43.8	14%	0.136	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-35.6	174.5	-28.9	37.8	0	0	0	113.1	L686 L716 T764 Q765	L686-P761 HydrophobicContact CD1-CG 4.14Å; L716-P761 HydrophobicContact CD2-CG 3.67Å; P761-T764 WeakPolarHBondContact O-CB 3.45Å; P761-T764 PolarHBondContact O-N 3.24Å; P761-Q765 WeakPolarHBondContact O-CG 3.43Å; P761-Q765 PolarHBondContact O-N 3.14Å
762	E	86.5	Confident	90.5	Very high	115 Å²	115	49 Å²	49	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-65.7	-43.2	178.2	-169.3	-179.8	180	0	0	111.9	T760 T764 Q765 N766	T760-E762 PolarHBondContact O-N 3.39Å; E762-T764 VanDerWaalsContact C-N 3.32Å; E762-T764 PolarHBondContact O-N 3.44Å; E762-Q765 PolarHBondContact O-N 2.9Å; E762-N766 WeakPolarHBondContact O-CB 3.39Å; E762-N766 PolarHBondContact O-N 3.46Å; E762-N766 PolarHBondContact O-ND2 3.21Å
763	E	90.5	Very high	90.6	Very high	74 Å²	74	51.7 Å²	51.7	35%	0.346	27%	0.265	S	S	.	.	H	α-helix	trans	-62.8	-39.3	172.2	-75.4	170.6	-168	0	0	112	A758 E759 T760 N766 K767	A758-E763 HydrophobicContact CB-CB 3.43Å; A758-E763 VanDerWaalsContact CB-CB 3.43Å; E759-E763 PolarHBondContact N-OE2 3.1Å; T760-E763 PolarHBondContact O-N 3.39Å; T760-E763 WeakPolarHBondContact OG1-CB 3.5Å; T760-E763 WeakPolarHBondContact OG1-CG 3.37Å; T760-E763 PolarHBondContact OG1-N 3.07Å; E763-N766 PolarHBondContact O-N 3.23Å; E763-K767 WeakPolarHBondContact O-CB 3.47Å; E763-K767 WeakPolarHBondContact O-CG 3.3Å; E763-K767 PolarHBondContact O-N 2.99Å
764	T	90.8	Very high	90.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-47.3	173.8	-69.2	0	0	0	0	110.7	T719 P720 N721 F756 A758 T760 P761 E762 N766 K767 V768	T719-T764 HydrophobicContact CG2-CG2 4.28Å; P720-T764 HydrophobicContact CG-CG2 3.97Å; N721-T764 VanDerWaalsContact OD1-CG2 3.3Å; N721-T764 WeakPolarHBondContact OD1-CG2 3.29Å; F756-T764 PolarHBondContact O-OG1 3.11Å; A758-T764 WeakPolarHBondContact CB-OG1 3.18Å; A758-T764 PolarHBondContact N-OG1 3.25Å; T760-T764 PolarHBondContact O-N 3.17Å; P761-T764 WeakPolarHBondContact O-CB 3.45Å; P761-T764 PolarHBondContact O-N 3.24Å; E762-T764 VanDerWaalsContact C-N 3.32Å; E762-T764 PolarHBondContact O-N 3.44Å; T764-N766 VanDerWaalsContact C-N 3.33Å; T764-N766 PolarHBondContact O-N 3.01Å; T764-K767 WeakPolarHBondContact O-CB 3.3Å; T764-K767 PolarHBondContact O-N 3.09Å; T764-K767 VanDerWaalsContact O-N 3.15Å; T764-V768 HydrophobicContact CG2-CG2 4.36Å; T764-V768 VanDerWaalsContact O-CG2 3.31Å; T764-V768 WeakPolarHBondContact O-CG2 3.47Å; T764-V768 PolarHBondContact O-N 3.26Å
765	Q	90.4	Very high	90.7	Very high	78 Å²	78	51.3 Å²	51.3	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-45.8	175.6	-70.4	176.7	3.4	0	0	111.4	P720 L728 P761 E762 K767 V768 I769	P720-Q765 HydrophobicContact CB-CG 4.38Å; P720-Q765 HydrophobicContact CG-CG 3.5Å; P720-Q765 VanDerWaalsContact CG-CG 3.5Å; L728-Q765 HydrophobicContact CD1-CB 4.19Å; L728-Q765 HydrophobicContact CD1-CG 4.1Å; L728-Q765 HydrophobicContact CD2-CG 4.12Å; P761-Q765 WeakPolarHBondContact O-CG 3.43Å; P761-Q765 PolarHBondContact O-N 3.14Å; E762-Q765 PolarHBondContact O-N 2.9Å; Q765-K767 VanDerWaalsContact C-N 3.31Å; Q765-K767 PolarHBondContact O-N 2.93Å; Q765-V768 PolarHBondContact O-N 3.26Å; Q765-I769 WeakPolarHBondContact O-CB 3.35Å; Q765-I769 VanDerWaalsContact O-CG1 3.32Å; Q765-I769 WeakPolarHBondContact O-CG1 3.47Å; Q765-I769 PolarHBondContact O-N 3.39Å
766	N	93.1	Very high	90.7	Very high	80 Å²	80	58.7 Å²	58.7	43%	0.428	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-39.5	176.9	-75.2	-35.3	0	0	0	111.9	E762 E763 T764 N770	E762-N766 WeakPolarHBondContact O-CB 3.39Å; E762-N766 PolarHBondContact O-N 3.46Å; E762-N766 PolarHBondContact O-ND2 3.21Å; E763-N766 PolarHBondContact O-N 3.23Å; T764-N766 VanDerWaalsContact C-N 3.33Å; T764-N766 PolarHBondContact O-N 3.01Å; N766-N770 WeakPolarHBondContact O-CB 3.41Å; N766-N770 PolarHBondContact O-N 3.02Å; N766-N770 PolarHBondContact O-ND2 3.2Å
767	K	94.1	Very high	90.6	Very high	76 Å²	76	60.5 Å²	60.5	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-66.2	-42.1	174.2	-76.5	177.2	-179.7	173.4	0	112.1	F756 L757 A758 E763 T764 Q765 N770 W771 S774	F756-K767 HydrophobicContact CB-CB 4.01Å; F756-K767 HydrophobicContact CD1-CB 4.14Å; F756-K767 HydrophobicContact CG-CB 4.5Å; L757-K767 PolarHBondContact O-NZ 3.23Å; A758-K767 HydrophobicContact CB-CD 4.18Å; E763-K767 WeakPolarHBondContact O-CB 3.47Å; E763-K767 WeakPolarHBondContact O-CG 3.3Å; E763-K767 PolarHBondContact O-N 2.99Å; T764-K767 WeakPolarHBondContact O-CB 3.3Å; T764-K767 PolarHBondContact O-N 3.09Å; T764-K767 VanDerWaalsContact O-N 3.15Å; Q765-K767 VanDerWaalsContact C-N 3.31Å; Q765-K767 PolarHBondContact O-N 2.93Å; K767-N770 CarbonylContact O-C 3.31Å; K767-N770 VanDerWaalsContact O-C 3.31Å; K767-N770 PolarHBondContact O-N 3.28Å; K767-W771 WeakPolarHBondContact O-CA 3.19Å; K767-W771 PolarHBondContact O-N 3.36Å; K767-W771 VanDerWaalsContact O-N 3.14Å; K767-S774 PolarHBondContact O-OG 3.37Å
768	V	93.4	Very high	90.7	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.8	-45.8	177.5	171.9	0	0	0	0	111.1	I723 P725 L728 W740 F756 T764 Q765 N770 W771	I723-V768 VanDerWaalsContact O-CG1 3.29Å; I723-V768 WeakPolarHBondContact O-CG1 3.1Å; P725-V768 HydrophobicContact CB-CG1 4.19Å; L728-V768 HydrophobicContact CD1-CB 3.92Å; L728-V768 HydrophobicContact CD1-CG1 3.65Å; W740-V768 HydrophobicContact CZ2-CG1 4.21Å; F756-V768 HydrophobicContact CB-CG2 3.74Å; F756-V768 HydrophobicContact CD2-CG2 3.71Å; F756-V768 HydrophobicContact CG-CG2 3.76Å; T764-V768 HydrophobicContact CG2-CG2 4.36Å; T764-V768 VanDerWaalsContact O-CG2 3.31Å; T764-V768 WeakPolarHBondContact O-CG2 3.47Å; T764-V768 PolarHBondContact O-N 3.26Å; Q765-V768 PolarHBondContact O-N 3.26Å; V768-N770 VanDerWaalsContact C-N 3.31Å; V768-N770 PolarHBondContact O-N 3.49Å; V768-W771 WeakPolarHBondContact O-CB 3.5Å; V768-W771 PolarHBondContact O-N 2.85Å
769	I	92.2	Very high	90.6	Very high	52 Å²	52	66.9 Å²	66.9	27%	0.267	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-41.3	178	-69.4	167.8	0	0	0	110.4	L728 L729 Q765 W771	L728-I769 HydrophobicContact CB-CG1 4.5Å; L728-I769 HydrophobicContact CD1-CG1 4.39Å; L729-I769 HydrophobicContact CD2-CD1 4.06Å; L729-I769 HydrophobicContact CD2-CG1 4.17Å; L729-I769 HydrophobicContact CD2-CG2 4.15Å; L729-I769 HydrophobicContact CG-CG1 4.33Å; Q765-I769 WeakPolarHBondContact O-CB 3.35Å; Q765-I769 VanDerWaalsContact O-CG1 3.32Å; Q765-I769 WeakPolarHBondContact O-CG1 3.47Å; Q765-I769 PolarHBondContact O-N 3.39Å; I769-W771 VanDerWaalsContact C-N 3.32Å; I769-W771 PolarHBondContact O-N 2.66Å
770	N	93.8	Very high	90.8	Very high	84 Å²	84	68.9 Å²	68.9	45%	0.449	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	33.9	179.2	-60.1	-66.8	0	0	0	113.1	N766 K767 V768 Q772 S773 S774	N766-N770 WeakPolarHBondContact O-CB 3.41Å; N766-N770 PolarHBondContact O-N 3.02Å; N766-N770 PolarHBondContact O-ND2 3.2Å; K767-N770 CarbonylContact O-C 3.31Å; K767-N770 VanDerWaalsContact O-C 3.31Å; K767-N770 PolarHBondContact O-N 3.28Å; V768-N770 VanDerWaalsContact C-N 3.31Å; V768-N770 PolarHBondContact O-N 3.49Å; N770-Q772 PolarHBondContact O-N 3.03Å; N770-Q772 VanDerWaalsContact O-N 3.07Å; N770-S773 PolarHBondContact O-N 3.25Å; N770-S773 PolarHBondContact O-OG 3.14Å; N770-S774 PolarHBondContact O-N 2.91Å; N770-S774 PolarHBondContact O-OG 2.83Å
771	W	94.5	Very high	90.9	Very high	22 Å²	22	68.5 Å²	68.5	8%	0.083	35%	0.351	C	S	.	.	H	α-helix	trans	-53.1	-32.3	-172.9	65.5	-90.2	0	0	0	114.4	W740 F756 K767 V768 I769 S773 S774 L775 C795 F796	W740-W771 HydrophobicContact CH2-CB 3.58Å; W740-W771 AromaticContact CH2-CD1 3.86Å; W740-W771 HydrophobicContact CH2-CD2 4.02Å; W740-W771 AromaticContact CH2-CG 3.52Å; W740-W771 HydrophobicContact CH2-CG 3.52Å; W740-W771 HydrophobicContact CZ2-CB 4.29Å; W740-W771 HydrophobicContact CZ3-CD2 4.19Å; W740-W771 HydrophobicContact CZ3-CG 4.1Å; F756-W771 HydrophobicContact CE1-CB 3.87Å; F756-W771 HydrophobicContact CZ-CB 3.86Å; K767-W771 WeakPolarHBondContact O-CA 3.19Å; K767-W771 PolarHBondContact O-N 3.36Å; K767-W771 VanDerWaalsContact O-N 3.14Å; V768-W771 WeakPolarHBondContact O-CB 3.5Å; V768-W771 PolarHBondContact O-N 2.85Å; I769-W771 VanDerWaalsContact C-N 3.32Å; I769-W771 PolarHBondContact O-N 2.66Å; W771-S773 PolarHBondContact O-N 2.79Å; W771-S773 VanDerWaalsContact O-N 3.14Å; W771-S774 VanDerWaalsContact CA-OG 3.27Å; W771-S774 WeakPolarHBondContact CA-OG 3.46Å; W771-S774 PolarHBondContact O-N 3.27Å; W771-L775 VanDerWaalsContact O-CB 3.22Å; W771-L775 WeakPolarHBondContact O-CB 3.47Å; W771-L775 PolarHBondContact O-N 3.42Å; W771-C795 VanDerWaalsContact CE3-O 3.25Å; W771-C795 VanDerWaalsContact CZ3-O 3.26Å; W771-C795 WeakPolarHBondContact CZ3-O 3.14Å; W771-F796 HydrophobicContact CH2-CB 4.33Å; W771-F796 HydrophobicContact CH2-CD1 4.15Å; W771-F796 AromaticContact CH2-CD2 3.68Å; W771-F796 HydrophobicContact CH2-CD2 3.68Å; W771-F796 HydrophobicContact CH2-CE1 4.33Å; W771-F796 AromaticContact CH2-CE2 3.94Å; W771-F796 HydrophobicContact CH2-CE2 3.94Å; W771-F796 AromaticContact CH2-CG 3.82Å; W771-F796 HydrophobicContact CH2-CG 3.82Å; W771-F796 HydrophobicContact CH2-CZ 4.26Å; W771-F796 AromaticContact CZ3-CD2 3.99Å; W771-F796 HydrophobicContact CZ3-CD2 3.99Å; W771-F796 HydrophobicContact CZ3-CE2 4.35Å; W771-F796 HydrophobicContact CZ3-CG 4.43Å
772	Q	92.4	Very high	91.2	Very high	121 Å²	121	70.7 Å²	70.7	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-58.4	-30.5	178.9	-60.5	90.2	-24.7	0	0	112.2	N770	N770-Q772 PolarHBondContact O-N 3.03Å; N770-Q772 VanDerWaalsContact O-N 3.07Å
773	S	92.2	Very high	91.6	Very high	74 Å²	74	66.8 Å²	66.8	52%	0.517	36%	0.36	S	S	.	.	H	α-helix	trans	-95.8	-30.9	179.7	68.9	0	0	0	0	112.9	N770 W771 R776	N770-S773 PolarHBondContact O-N 3.25Å; N770-S773 PolarHBondContact O-OG 3.14Å; W771-S773 PolarHBondContact O-N 2.79Å; W771-S773 VanDerWaalsContact O-N 3.14Å; S773-R776 PolarHBondContact O-NE 3.05Å; S773-R776 PolarHBondContact O-NH2 3.04Å
774	S	92.1	Very high	91.8	Very high	29 Å²	29	65.1 Å²	65.1	20%	0.203	36%	0.356	C	S	.	.	H	α-helix	trans	-96.4	-27.1	-169.4	68.7	0	0	0	0	114.2	F756 K767 N770 W771 R776	F756-S774 WeakPolarHBondContact CD1-OG 3.31Å; F756-S774 WeakPolarHBondContact CE1-OG 3.46Å; K767-S774 PolarHBondContact O-OG 3.37Å; N770-S774 PolarHBondContact O-N 2.91Å; N770-S774 PolarHBondContact O-OG 2.83Å; W771-S774 VanDerWaalsContact CA-OG 3.27Å; W771-S774 WeakPolarHBondContact CA-OG 3.46Å; W771-S774 PolarHBondContact O-N 3.27Å; S774-R776 PolarHBondContact O-N 2.77Å; S774-R776 VanDerWaalsContact O-N 3.07Å
775	L	94	Very high	92.1	Very high	15 Å²	15	69 Å²	69	8%	0.079	39%	0.388	C	S	.	.			trans	-71.6	103.2	176.8	-177.8	60.6	0	0	0	109.5	Y747 P755 F756 W771 L792 C795	Y747-L775 HydrophobicContact CD2-CD1 4.19Å; Y747-L775 HydrophobicContact CE2-CD1 4.19Å; P755-L775 HydrophobicContact CB-CD1 3.54Å; P755-L775 HydrophobicContact CG-CD1 4.07Å; F756-L775 HydrophobicContact CE1-CB 3.99Å; F756-L775 HydrophobicContact CE1-CD1 4.43Å; F756-L775 HydrophobicContact CZ-CB 4.17Å; F756-L775 HydrophobicContact CZ-CD1 4.14Å; W771-L775 VanDerWaalsContact O-CB 3.22Å; W771-L775 WeakPolarHBondContact O-CB 3.47Å; W771-L775 PolarHBondContact O-N 3.42Å; L775-L792 HydrophobicContact CD2-CD2 3.99Å; L775-C795 HydrophobicContact CD2-CB 3.64Å
776	R	91.5	Very high	92.4	Very high	173 Å²	173	68.5 Å²	68.5	65%	0.653	39%	0.388	S	S	*	.			trans	-127.2	122.8	177.9	-59.4	-64.4	176.5	-179.6	-1.1	109.4	Y747 S773 S774	Y747-R776 PolarHBondContact OH-O 2.85Å; S773-R776 PolarHBondContact O-NE 3.05Å; S773-R776 PolarHBondContact O-NH2 3.04Å; S774-R776 PolarHBondContact O-N 2.77Å; S774-R776 VanDerWaalsContact O-N 3.07Å
777	I	92.8	Very high	92.6	Very high	38 Å²	38	64.7 Å²	64.7	20%	0.195	37%	0.368	C	S	.	.			trans	-91.3	118.8	173.5	-63.8	165.6	0	0	0	107.3	Y747 V779 L783 V788 I791 L792	Y747-I777 HydrophobicContact CD2-CG1 4.02Å; Y747-I777 HydrophobicContact CE2-CB 4.46Å; Y747-I777 HydrophobicContact CE2-CG1 3.71Å; I777-V779 PolarHBondContact O-N 3.15Å; I777-L783 HydrophobicContact CG2-CD1 3.75Å; I777-V788 HydrophobicContact CD1-CB 4.36Å; I777-V788 HydrophobicContact CD1-CG1 3.85Å; I777-V788 HydrophobicContact CD1-CG2 4.34Å; I777-V788 HydrophobicContact CG2-CG2 4.32Å; I777-I791 HydrophobicContact CD1-CB 4.38Å; I777-I791 HydrophobicContact CD1-CG2 4.13Å; I777-L792 HydrophobicContact CD1-CD2 4.3Å; I777-L792 HydrophobicContact CD1-CG 4.24Å
778	P	90.4	Very high	92.8	Very high	48 Å²	48	63 Å²	63	31%	0.312	36%	0.364	S	S	.	.			trans	-63	130.3	179.1	-20	32.2	0	0	0	111	V751 E780 A781	V751-P778 HydrophobicContact CG1-CG 4.06Å; P778-E780 VanDerWaalsContact CB-OE2 3.29Å; P778-E780 WeakPolarHBondContact CB-OE2 3.49Å; P778-E780 PolarHBondContact O-N 2.8Å; P778-A781 WeakPolarHBondContact O-CB 3.34Å; P778-A781 PolarHBondContact O-N 2.87Å; P778-A781 VanDerWaalsContact O-N 3.15Å
779	V	87.2	Confident	92.9	Very high	133 Å²	133	65.4 Å²	65.4	81%	0.806	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.9	-28.7	178.3	-177.8	0	0	0	0	110.5	I777 A781 G782	I777-V779 PolarHBondContact O-N 3.15Å; V779-A781 PolarHBondContact O-N 3.41Å; V779-G782 PolarHBondContact O-N 2.85Å
780	E	85.9	Confident	93.2	Very high	166 Å²	166	62.9 Å²	62.9	78%	0.776	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-67.8	-13.8	178.9	-52.3	76.1	-164.7	0	0	113.1	P778 G782	P778-E780 VanDerWaalsContact CB-OE2 3.29Å; P778-E780 WeakPolarHBondContact CB-OE2 3.49Å; P778-E780 PolarHBondContact O-N 2.8Å; E780-G782 PolarHBondContact O-N 3.3Å
781	A	86.5	Confident	93.4	Very high	40 Å²	40	58.9 Å²	58.9	33%	0.331	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-71.6	-18.2	174.7	0	0	0	0	0	112.5	P778 V779 L783	P778-A781 WeakPolarHBondContact O-CB 3.34Å; P778-A781 PolarHBondContact O-N 2.87Å; P778-A781 VanDerWaalsContact O-N 3.15Å; V779-A781 PolarHBondContact O-N 3.41Å; A781-L783 VanDerWaalsContact C-N 3.26Å; A781-L783 HydrophobicContact CB-CD1 4.19Å; A781-L783 HydrophobicContact CB-CD2 4.12Å; A781-L783 HydrophobicContact CB-CG 3.77Å; A781-L783 PolarHBondContact O-N 2.94Å
782	G	90.5	Very high	93.5	Very high	66 Å²	66	61.2 Å²	61.2	68%	0.68	36%	0.356	S	S	*	.			trans	62.2	30.3	174.9	0	0	0	0	0	114.3	V779 E780	V779-G782 PolarHBondContact O-N 2.85Å; E780-G782 PolarHBondContact O-N 3.3Å
783	L	94.4	Very high	93.7	Very high	34 Å²	34	61 Å²	61	18%	0.178	35%	0.35	C	S	.	.			trans	-73.2	148.2	-175.2	-54.8	179.4	0	0	0	112.1	E614 V750 V751 I777 A781 V787 V788	E614-L783 WeakPolarHBondContact OE1-CA 3.13Å; V750-L783 HydrophobicContact CB-CD1 4.45Å; V750-L783 HydrophobicContact CB-CD2 3.76Å; V750-L783 HydrophobicContact CG2-CD1 3.66Å; V750-L783 HydrophobicContact CG2-CD2 3.91Å; V750-L783 HydrophobicContact CG2-CG 4.46Å; V751-L783 HydrophobicContact CG2-CD1 4.24Å; I777-L783 HydrophobicContact CG2-CD1 3.75Å; A781-L783 VanDerWaalsContact C-N 3.26Å; A781-L783 HydrophobicContact CB-CD1 4.19Å; A781-L783 HydrophobicContact CB-CD2 4.12Å; A781-L783 HydrophobicContact CB-CG 3.77Å; A781-L783 PolarHBondContact O-N 2.94Å; L783-V787 HydrophobicContact CD1-CG1 4.28Å; L783-V788 HydrophobicContact CB-CG2 3.93Å; L783-V788 HydrophobicContact CD1-CG2 4.48Å
784	S	96.5	Very high	94	Very high	38 Å²	38	57.5 Å²	57.5	27%	0.266	33%	0.326	S	S	.	.			trans	-63.3	153.4	171.8	69.1	0	0	0	0	112.1	E614 D786 V787 V788	E614-S784 PolarHBondContact OE1-N 3.01Å; E614-S784 PolarHBondContact OE1-OG 2.83Å; E614-S784 VanDerWaalsContact OE2-CB 3.23Å; E614-S784 WeakPolarHBondContact OE2-CB 3.23Å; E614-S784 PolarHBondContact OE2-OG 3.26Å; S784-D786 PolarHBondContact O-N 2.88Å; S784-V787 PolarHBondContact O-N 2.84Å; S784-V787 WeakPolarHBondContact OG-CG2 3.28Å; S784-V787 PolarHBondContact OG-N 3.3Å; S784-V788 WeakPolarHBondContact O-CG2 3.35Å; S784-V788 PolarHBondContact O-N 2.89Å
785	A	96.4	Very high	94.2	Very high	81 Å²	81	56.1 Å²	56.1	67%	0.669	32%	0.316	S	S	*	.	H	α-helix	trans	-58.8	-34.2	176.8	0	0	0	0	0	111.8	V788 D789	A785-V788 PolarHBondContact O-N 3.12Å; A785-D789 VanDerWaalsContact O-CB 3.32Å; A785-D789 WeakPolarHBondContact O-CB 3.41Å; A785-D789 PolarHBondContact O-N 3.03Å
786	D	97.3	Very high	94.2	Very high	69 Å²	69	58.7 Å²	58.7	37%	0.369	33%	0.327	S	S	.	.	H	α-helix	trans	-69.8	-40.5	-178.5	-59.6	-31.6	0	0	0	112.2	S784 L790 H812 P813 F814	S784-D786 PolarHBondContact O-N 2.88Å; D786-L790 WeakPolarHBondContact O-CB 3.39Å; D786-L790 PolarHBondContact O-N 2.71Å; D786-H812 PolarHBondContact O-CE1 2.84Å; D786-P813 HydrophobicContact CB-CB 4.46Å; D786-F814 HydrophobicContact CB-CB 4.07Å
787	V	97.2	Very high	94.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.5	-46.2	173.9	170.8	0	0	0	0	110.8	E614 V750 L783 S784 L790 I791 F814	E614-V787 HydrophobicContact CB-CG2 4.42Å; E614-V787 HydrophobicContact CG-CG2 3.98Å; E614-V787 WeakPolarHBondContact OE2-CG2 3.39Å; V750-V787 HydrophobicContact CG1-CG1 4.44Å; V750-V787 HydrophobicContact CG2-CG1 3.98Å; L783-V787 HydrophobicContact CD1-CG1 4.28Å; S784-V787 PolarHBondContact O-N 2.84Å; S784-V787 WeakPolarHBondContact OG-CG2 3.28Å; S784-V787 PolarHBondContact OG-N 3.3Å; V787-L790 PolarHBondContact O-N 3.24Å; V787-I791 HydrophobicContact CG1-CD1 3.73Å; V787-I791 HydrophobicContact CG1-CG1 4.41Å; V787-I791 VanDerWaalsContact O-CG1 3.32Å; V787-I791 WeakPolarHBondContact O-CG1 3.27Å; V787-I791 PolarHBondContact O-N 3.4Å; V787-F814 HydrophobicContact CB-CD2 4.42Å; V787-F814 HydrophobicContact CB-CE2 4.39Å; V787-F814 HydrophobicContact CG2-CD2 3.39Å; V787-F814 HydrophobicContact CG2-CE2 3.09Å; V787-F814 HydrophobicContact CG2-CG 4.42Å; V787-F814 HydrophobicContact CG2-CZ 3.87Å
788	V	97.1	Very high	93.9	Very high	41 Å²	41	52.4 Å²	52.4	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-61	-46.8	-179.8	172	0	0	0	0	110.5	I777 L783 S784 A785 I791 L792	I777-V788 HydrophobicContact CD1-CB 4.36Å; I777-V788 HydrophobicContact CD1-CG1 3.85Å; I777-V788 HydrophobicContact CD1-CG2 4.34Å; I777-V788 HydrophobicContact CG2-CG2 4.32Å; L783-V788 HydrophobicContact CB-CG2 3.93Å; L783-V788 HydrophobicContact CD1-CG2 4.48Å; S784-V788 WeakPolarHBondContact O-CG2 3.35Å; S784-V788 PolarHBondContact O-N 2.89Å; A785-V788 PolarHBondContact O-N 3.12Å; V788-I791 PolarHBondContact O-N 3.48Å; V788-L792 HydrophobicContact CG1-CD1 3.9Å; V788-L792 HydrophobicContact CG1-CG 4.49Å; V788-L792 WeakPolarHBondContact O-CB 3.23Å; V788-L792 VanDerWaalsContact O-CG 3.26Å; V788-L792 WeakPolarHBondContact O-CG 3.38Å; V788-L792 PolarHBondContact O-N 3.22Å
789	D	97.1	Very high	93.9	Very high	49 Å²	49	56.2 Å²	56.2	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-61.6	-44.6	178	-169.5	44.1	0	0	0	111.4	A785 I791 L792 R793 H812	A785-D789 VanDerWaalsContact O-CB 3.32Å; A785-D789 WeakPolarHBondContact O-CB 3.41Å; A785-D789 PolarHBondContact O-N 3.03Å; D789-I791 PolarHBondContact O-N 2.88Å; D789-L792 PolarHBondContact O-N 3.45Å; D789-R793 WeakPolarHBondContact O-CB 3.47Å; D789-R793 VanDerWaalsContact O-CG 3.28Å; D789-R793 WeakPolarHBondContact O-CG 3.39Å; D789-R793 PolarHBondContact O-N 3.45Å; D789-R793 IonicContact OD1-CZ 3.47Å; D789-R793 IonicContact OD1-NE 3.81Å; D789-R793 PolarHBondContact OD1-NE 2.96Å; D789-R793 IonicContact OD1-NH2 3.6Å; D789-R793 PolarHBondContact OD1-NH2 2.91Å; D789-R793 IonicContact OD2-CZ 3.04Å; D789-R793 IonicContact OD2-NE 2.68Å; D789-R793 PolarHBondContact OD2-NE 3.37Å; D789-R793 IonicContact OD2-NH2 3.87Å; D789-R793 PolarHBondContact OD2-NH2 3.05Å; D789-H812 IonicContact OD2-CE1 2.72Å; D789-H812 IonicContact OD2-NE2 3.32Å; D789-H812 PolarHBondContact OD2-NE2 3.01Å; D789-H812 VanDerWaalsContact OD2-NE2 3.16Å
790	L	98.2	Very high	94.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-47.3	178.6	-177.5	58.6	0	0	0	112.1	L746 D786 V787 L792 R793 L794 L802 H812 F814 F815	L746-L790 HydrophobicContact CD2-CB 4.31Å; L746-L790 HydrophobicContact CD2-CD2 3.62Å; L746-L790 HydrophobicContact CD2-CG 3.89Å; D786-L790 WeakPolarHBondContact O-CB 3.39Å; D786-L790 PolarHBondContact O-N 2.71Å; V787-L790 PolarHBondContact O-N 3.24Å; L790-L792 VanDerWaalsContact C-N 3.34Å; L790-L792 PolarHBondContact O-N 2.98Å; L790-R793 PolarHBondContact O-N 3.36Å; L790-L794 HydrophobicContact CD1-CD1 3.8Å; L790-L794 HydrophobicContact CD1-CG 3.99Å; L790-L794 HydrophobicContact CG-CD1 3.84Å; L790-L794 HydrophobicContact CG-CG 4.41Å; L790-L794 WeakPolarHBondContact O-CB 3.35Å; L790-L794 WeakPolarHBondContact O-CG 3.47Å; L790-L794 PolarHBondContact O-N 2.96Å; L790-L802 HydrophobicContact CD1-CD1 4.3Å; L790-H812 HydrophobicContact CD1-CB 4.31Å; L790-F814 HydrophobicContact CB-CB 4.48Å; L790-F814 HydrophobicContact CD2-CB 4.03Å; L790-F814 HydrophobicContact CD2-CD1 3.32Å; L790-F814 HydrophobicContact CD2-CE1 4.06Å; L790-F814 HydrophobicContact CD2-CG 3.94Å; L790-F815 HydrophobicContact CD1-CE2 4.32Å; L790-F815 HydrophobicContact CD2-CE2 3.59Å; L790-F815 HydrophobicContact CD2-CZ 3.61Å
791	I	97.7	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.8	-49.3	177.4	-69.9	167.8	0	0	0	110.1	L746 Y747 V750 I777 V787 V788 D789 R793 L794 C795	L746-I791 HydrophobicContact CB-CG1 4.39Å; L746-I791 HydrophobicContact CD2-CG1 3.68Å; L746-I791 HydrophobicContact CG-CD1 4.17Å; L746-I791 HydrophobicContact CG-CG1 3.74Å; Y747-I791 HydrophobicContact CD2-CD1 4.45Å; Y747-I791 HydrophobicContact CD2-CG2 4.12Å; V750-I791 HydrophobicContact CG2-CD1 4.11Å; I777-I791 HydrophobicContact CD1-CB 4.38Å; I777-I791 HydrophobicContact CD1-CG2 4.13Å; V787-I791 HydrophobicContact CG1-CD1 3.73Å; V787-I791 HydrophobicContact CG1-CG1 4.41Å; V787-I791 VanDerWaalsContact O-CG1 3.32Å; V787-I791 WeakPolarHBondContact O-CG1 3.27Å; V787-I791 PolarHBondContact O-N 3.4Å; V788-I791 PolarHBondContact O-N 3.48Å; D789-I791 PolarHBondContact O-N 2.88Å; I791-R793 VanDerWaalsContact C-N 3.31Å; I791-R793 PolarHBondContact O-N 2.8Å; I791-L794 PolarHBondContact O-N 3.17Å; I791-C795 WeakPolarHBondContact O-CB 3.38Å; I791-C795 PolarHBondContact O-N 3.49Å
792	L	96.5	Very high	94.9	Very high	71 Å²	71	48.1 Å²	48.1	37%	0.372	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-36	-177	-70	174.8	0	0	0	112.1	L775 I777 V788 D789 L790 C795 F796	L775-L792 HydrophobicContact CD2-CD2 3.99Å; I777-L792 HydrophobicContact CD1-CD2 4.3Å; I777-L792 HydrophobicContact CD1-CG 4.24Å; V788-L792 HydrophobicContact CG1-CD1 3.9Å; V788-L792 HydrophobicContact CG1-CG 4.49Å; V788-L792 WeakPolarHBondContact O-CB 3.23Å; V788-L792 VanDerWaalsContact O-CG 3.26Å; V788-L792 WeakPolarHBondContact O-CG 3.38Å; V788-L792 PolarHBondContact O-N 3.22Å; D789-L792 PolarHBondContact O-N 3.45Å; L790-L792 VanDerWaalsContact C-N 3.34Å; L790-L792 PolarHBondContact O-N 2.98Å; L792-C795 CarbonylContact O-C 3.59Å; L792-F796 WeakPolarHBondContact O-CB 3.28Å; L792-F796 WeakPolarHBondContact O-CD2 3.14Å
793	R	96.7	Very high	95	Very high	115 Å²	115	45 Å²	45	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-78.6	-25.6	178.8	-69.1	-176.6	-170.1	-156.1	16.9	114.1	D789 L790 I791 R801 L802	D789-R793 WeakPolarHBondContact O-CB 3.47Å; D789-R793 VanDerWaalsContact O-CG 3.28Å; D789-R793 WeakPolarHBondContact O-CG 3.39Å; D789-R793 PolarHBondContact O-N 3.45Å; D789-R793 IonicContact OD1-CZ 3.47Å; D789-R793 IonicContact OD1-NE 3.81Å; D789-R793 PolarHBondContact OD1-NE 2.96Å; D789-R793 IonicContact OD1-NH2 3.6Å; D789-R793 PolarHBondContact OD1-NH2 2.91Å; D789-R793 IonicContact OD2-CZ 3.04Å; D789-R793 IonicContact OD2-NE 2.68Å; D789-R793 PolarHBondContact OD2-NE 3.37Å; D789-R793 IonicContact OD2-NH2 3.87Å; D789-R793 PolarHBondContact OD2-NH2 3.05Å; L790-R793 PolarHBondContact O-N 3.36Å; I791-R793 VanDerWaalsContact C-N 3.31Å; I791-R793 PolarHBondContact O-N 2.8Å; R793-R801 WeakPolarHBondContact O-CA 3.29Å; R793-L802 HydrophobicContact CB-CD1 3.47Å; R793-L802 VanDerWaalsContact CB-CD1 3.47Å; R793-L802 HydrophobicContact CB-CG 3.8Å; R793-L802 HydrophobicContact CG-CD1 4.32Å; R793-L802 PolarHBondContact O-N 2.8Å; R793-L802 VanDerWaalsContact O-N 3.1Å
794	L	97.6	Very high	94.8	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-80.3	-40	171	-71.3	173.1	0	0	0	111.7	W739 V742 L790 I791 F796 R801 L802 I809	W739-L794 HydrophobicContact CB-CD2 4.04Å; V742-L794 HydrophobicContact CG1-CD1 4.26Å; L790-L794 HydrophobicContact CD1-CD1 3.8Å; L790-L794 HydrophobicContact CD1-CG 3.99Å; L790-L794 HydrophobicContact CG-CD1 3.84Å; L790-L794 HydrophobicContact CG-CG 4.41Å; L790-L794 WeakPolarHBondContact O-CB 3.35Å; L790-L794 WeakPolarHBondContact O-CG 3.47Å; L790-L794 PolarHBondContact O-N 2.96Å; I791-L794 PolarHBondContact O-N 3.17Å; L794-F796 VanDerWaalsContact C-N 3.27Å; L794-F796 PolarHBondContact O-N 3.03Å; L794-R801 WeakPolarHBondContact O-CD 3.34Å; L794-R801 WeakPolarHBondContact O-CG 3.29Å; L794-R801 PolarHBondContact O-NE 3.17Å; L794-L802 HydrophobicContact CD2-CB 4.3Å; L794-I809 HydrophobicContact CD2-CD1 3.98Å; L794-I809 HydrophobicContact CD2-CG1 4.28Å
795	C	95.9	Very high	94.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-92.2	51.3	176.5	-64.1	0	0	0	0	111.8	W740 G743 W771 L775 I791 L792	W740-C795 HydrophobicContact CE3-CB 4.21Å; W740-C795 HydrophobicContact CH2-CB 4.3Å; W740-C795 HydrophobicContact CZ3-CB 4.02Å; G743-C795 VanDerWaalsContact C-SG 3.57Å; W771-C795 VanDerWaalsContact CE3-O 3.25Å; W771-C795 VanDerWaalsContact CZ3-O 3.26Å; W771-C795 WeakPolarHBondContact CZ3-O 3.14Å; L775-C795 HydrophobicContact CD2-CB 3.64Å; I791-C795 WeakPolarHBondContact O-CB 3.38Å; I791-C795 PolarHBondContact O-N 3.49Å; L792-C795 CarbonylContact O-C 3.59Å
796	F	94.1	Very high	94.4	Very high	69 Å²	69	48.7 Å²	48.7	30%	0.303	24%	0.243	S	C	.	.	S	Bend	trans	-117.2	173.7	-179.9	-147.1	-92.7	0	0	0	112.6	W771 L792 L794 Q800 R801	W771-F796 HydrophobicContact CH2-CB 4.33Å; W771-F796 HydrophobicContact CH2-CD1 4.15Å; W771-F796 AromaticContact CH2-CD2 3.68Å; W771-F796 HydrophobicContact CH2-CD2 3.68Å; W771-F796 HydrophobicContact CH2-CE1 4.33Å; W771-F796 AromaticContact CH2-CE2 3.94Å; W771-F796 HydrophobicContact CH2-CE2 3.94Å; W771-F796 AromaticContact CH2-CG 3.82Å; W771-F796 HydrophobicContact CH2-CG 3.82Å; W771-F796 HydrophobicContact CH2-CZ 4.26Å; W771-F796 AromaticContact CZ3-CD2 3.99Å; W771-F796 HydrophobicContact CZ3-CD2 3.99Å; W771-F796 HydrophobicContact CZ3-CE2 4.35Å; W771-F796 HydrophobicContact CZ3-CG 4.43Å; L792-F796 WeakPolarHBondContact O-CB 3.28Å; L792-F796 WeakPolarHBondContact O-CD2 3.14Å; L794-F796 VanDerWaalsContact C-N 3.27Å; L794-F796 PolarHBondContact O-N 3.03Å; F796-Q800 HydrophobicContact CD1-CB 3.54Å; F796-Q800 HydrophobicContact CE1-CB 3.7Å; F796-Q800 HydrophobicContact CE1-CG 4.35Å; F796-R801 PolarHBondContact O-NE 3.37Å; F796-R801 PolarHBondContact O-NH2 3.23Å; F796-R801 VanDerWaalsContact O-NH2 3.12Å
797	S	89.7	Confident	94.3	Very high	36 Å²	36	48.9 Å²	48.9	25%	0.252	24%	0.244	S	C	.	.			trans	-57	145.1	171.4	65.8	0	0	0	0	111.1	D799 Q800 R801	S797-D799 PolarHBondContact O-N 2.86Å; S797-Q800 PolarHBondContact O-N 3.38Å; S797-R801 WeakPolarHBondContact O-CB 3.15Å; S797-R801 PolarHBondContact O-N 2.84Å
798	V	89.5	Confident	94.2	Very high	44 Å²	44	52.6 Å²	52.6	27%	0.267	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-36.9	-174.9	-178.9	0	0	0	0	112.5	E726 L736 Q800	E726-V798 HydrophobicContact CB-CG2 3.92Å; E726-V798 VanDerWaalsContact CD-CG2 3.43Å; E726-V798 HydrophobicContact CG-CG2 3.82Å; E726-V798 WeakPolarHBondContact OE2-CG2 3.45Å; L736-V798 HydrophobicContact CD1-CG1 3.95Å; V798-Q800 VanDerWaalsContact C-N 3.33Å; V798-Q800 PolarHBondContact O-N 3.25Å
799	D	88.9	Confident	94.3	Very high	127 Å²	127	50.7 Å²	50.7	68%	0.679	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-26.3	-177.2	-60.2	-41.9	0	0	0	114	S797 K804	S797-D799 PolarHBondContact O-N 2.86Å; D799-K804 WeakPolarHBondContact O-CE 3.28Å; D799-K804 PolarHBondContact O-NZ 3.23Å
800	Q	92.1	Very high	94.3	Very high	141 Å²	141	49.9 Å²	49.9	66%	0.659	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-3.9	-176.8	-69.6	-175.6	-17.2	0	0	113.1	F796 S797 V798	F796-Q800 HydrophobicContact CD1-CB 3.54Å; F796-Q800 HydrophobicContact CE1-CB 3.7Å; F796-Q800 HydrophobicContact CE1-CG 4.35Å; S797-Q800 PolarHBondContact O-N 3.38Å; V798-Q800 VanDerWaalsContact C-N 3.33Å; V798-Q800 PolarHBondContact O-N 3.25Å
801	R	96	Very high	94.2	Very high	5 Å²	5	56 Å²	56	2%	0.019	28%	0.28	C	S	.	.			trans	-61.5	140.5	176.7	-164.5	-177.4	-61	158.9	3.3	111.4	E726 L736 R793 L794 F796 S797	E726-R801 IonicContact OE1-CZ 2.78Å; E726-R801 IonicContact OE1-NH1 3.77Å; E726-R801 PolarHBondContact OE1-NH1 2.88Å; E726-R801 IonicContact OE1-NH2 2.88Å; E726-R801 PolarHBondContact OE1-NH2 2.86Å; E726-R801 IonicContact OE2-CZ 3.08Å; E726-R801 IonicContact OE2-NH1 3.91Å; E726-R801 IonicContact OE2-NH2 2.78Å; E726-R801 PolarHBondContact OE2-NH2 2.76Å; L736-R801 VanDerWaalsContact C-NH1 3.27Å; L736-R801 WeakPolarHBondContact O-CD 3.46Å; L736-R801 PolarHBondContact O-NH1 3.34Å; R793-R801 WeakPolarHBondContact O-CA 3.29Å; L794-R801 WeakPolarHBondContact O-CD 3.34Å; L794-R801 WeakPolarHBondContact O-CG 3.29Å; L794-R801 PolarHBondContact O-NE 3.17Å; F796-R801 PolarHBondContact O-NE 3.37Å; F796-R801 PolarHBondContact O-NH2 3.23Å; F796-R801 VanDerWaalsContact O-NH2 3.12Å; S797-R801 WeakPolarHBondContact O-CB 3.15Å; S797-R801 PolarHBondContact O-N 2.84Å
802	L	94	Very high	94.2	Very high	24 Å²	24	56.5 Å²	56.5	13%	0.126	28%	0.282	C	S	.	.	S	Bend	trans	-63.5	159.3	170.1	-73.1	173.4	0	0	0	112.3	L790 R793 L794 D808 I809	L790-L802 HydrophobicContact CD1-CD1 4.3Å; R793-L802 HydrophobicContact CB-CD1 3.47Å; R793-L802 VanDerWaalsContact CB-CD1 3.47Å; R793-L802 HydrophobicContact CB-CG 3.8Å; R793-L802 HydrophobicContact CG-CD1 4.32Å; R793-L802 PolarHBondContact O-N 2.8Å; R793-L802 VanDerWaalsContact O-N 3.1Å; L794-L802 HydrophobicContact CD2-CB 4.3Å; L802-D808 HydrophobicContact CD2-CB 3.77Å; L802-I809 HydrophobicContact CB-CG1 3.84Å
803	G	91.9	Very high	94.3	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.01	29%	0.286	C	S	.	.			trans	97.2	11	174.4	0	0	0	0	0	115.3	L736 W739 N805	L736-G803 WeakPolarHBondContact CD2-O 3.22Å; W739-G803 PolarHBondContact NE1-O 3.43Å; G803-N805 VanDerWaalsContact C-N 3.32Å; G803-N805 WeakPolarHBondContact CA-O 3.22Å
804	K	89.8	Confident	94.3	Very high	138 Å²	138	51.2 Å²	51.2	60%	0.6	27%	0.266	S	S	*	.	S	Bend	trans	-61.8	-45.7	163.5	-68	-178.5	-173.6	176.1	0	110	L736 D799	L736-K804 HydrophobicContact CD1-CG 4.12Å; L736-K804 HydrophobicContact CD2-CG 4.19Å; D799-K804 WeakPolarHBondContact O-CE 3.28Å; D799-K804 PolarHBondContact O-NZ 3.23Å
805	N	91.4	Very high	94.3	Very high	72 Å²	72	51.5 Å²	51.5	39%	0.385	27%	0.267	S	S	.	.	S	Bend	trans	-107.5	132.6	153.4	-172.2	-4.4	0	0	0	108.1	G803 D807 D808	G803-N805 VanDerWaalsContact C-N 3.32Å; G803-N805 WeakPolarHBondContact CA-O 3.22Å; N805-D807 PolarHBondContact ND2-OD2 2.85Å; N805-D807 VanDerWaalsContact ND2-OD2 3.08Å; N805-D807 PolarHBondContact O-N 3.43Å; N805-D807 PolarHBondContact OD1-N 3.26Å; N805-D807 VanDerWaalsContact OD1-N 3.07Å; N805-D807 PolarHBondContact OD1-OD2 3.04Å; N805-D808 WeakPolarHBondContact O-CB 3.44Å; N805-D808 PolarHBondContact O-N 3.1Å
806	V	94.1	Very high	94.3	Very high	19 Å²	19	58.4 Å²	58.4	12%	0.115	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.5	175.5	66.9	0	0	0	0	111.8	V625 E629 W739 D808 I809 K810	V625-V806 HydrophobicContact CG1-CG2 4.02Å; E629-V806 HydrophobicContact CB-CG2 4.11Å; E629-V806 HydrophobicContact CG-CB 4.3Å; E629-V806 HydrophobicContact CG-CG1 4.03Å; E629-V806 HydrophobicContact CG-CG2 3.98Å; E629-V806 WeakPolarHBondContact OE1-CG1 3.47Å; W739-V806 HydrophobicContact CH2-CG2 3.94Å; W739-V806 HydrophobicContact CZ2-CB 4.41Å; W739-V806 HydrophobicContact CZ2-CG2 3.9Å; V806-D808 PolarHBondContact O-N 2.97Å; V806-I809 WeakPolarHBondContact O-CB 3.36Å; V806-I809 PolarHBondContact O-N 2.91Å; V806-K810 HydrophobicContact CG2-CG 4.48Å; V806-K810 PolarHBondContact O-N 3.47Å
807	D	95.5	Very high	94.2	Very high	73 Å²	73	58.8 Å²	58.8	39%	0.39	33%	0.328	S	S	.	.	H	α-helix	trans	-61.2	-28.6	176.7	-60.3	-36.6	0	0	0	111.9	N805 I809 K810 N811	N805-D807 PolarHBondContact ND2-OD2 2.85Å; N805-D807 VanDerWaalsContact ND2-OD2 3.08Å; N805-D807 PolarHBondContact O-N 3.43Å; N805-D807 PolarHBondContact OD1-N 3.26Å; N805-D807 VanDerWaalsContact OD1-N 3.07Å; N805-D807 PolarHBondContact OD1-OD2 3.04Å; D807-I809 PolarHBondContact O-N 3.38Å; D807-K810 PolarHBondContact O-N 3.23Å; D807-N811 VanDerWaalsContact O-CB 3.28Å; D807-N811 WeakPolarHBondContact O-CB 3.43Å; D807-N811 VanDerWaalsContact O-CG 3.26Å; D807-N811 PolarHBondContact O-N 2.87Å; D807-N811 PolarHBondContact O-ND2 3.24Å
808	D	95.2	Very high	94.5	Very high	79 Å²	79	58.6 Å²	58.6	42%	0.422	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-30.6	176	-55.7	-31.1	0	0	0	111.5	L802 N805 V806	L802-D808 HydrophobicContact CD2-CB 3.77Å; N805-D808 WeakPolarHBondContact O-CB 3.44Å; N805-D808 PolarHBondContact O-N 3.1Å; V806-D808 PolarHBondContact O-N 2.97Å
809	I	97.6	Very high	94.7	Very high	1 Å²	1	60 Å²	60	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-77.5	-46.9	173.3	-60.5	172.4	0	0	0	109.4	V625 W739 L794 L802 V806 D807 N811 H812 F815	V625-I809 HydrophobicContact CG1-CG2 4.28Å; V625-I809 HydrophobicContact CG2-CG2 3.82Å; W739-I809 HydrophobicContact CB-CD1 4.47Å; W739-I809 HydrophobicContact CD2-CD1 3.44Å; W739-I809 VanDerWaalsContact CD2-CD1 3.44Å; W739-I809 HydrophobicContact CE3-CD1 3.56Å; W739-I809 HydrophobicContact CG-CD1 3.86Å; W739-I809 HydrophobicContact CH2-CD1 4.28Å; W739-I809 HydrophobicContact CZ2-CD1 4.16Å; W739-I809 HydrophobicContact CZ3-CD1 3.99Å; L794-I809 HydrophobicContact CD2-CD1 3.98Å; L794-I809 HydrophobicContact CD2-CG1 4.28Å; L802-I809 HydrophobicContact CB-CG1 3.84Å; V806-I809 WeakPolarHBondContact O-CB 3.36Å; V806-I809 PolarHBondContact O-N 2.91Å; D807-I809 PolarHBondContact O-N 3.38Å; I809-N811 VanDerWaalsContact C-N 3.31Å; I809-N811 PolarHBondContact O-N 2.96Å; I809-H812 WeakPolarHBondContact O-CB 3.3Å; I809-H812 PolarHBondContact O-N 2.89Å; I809-H812 VanDerWaalsContact O-N 3.13Å; I809-F815 HydrophobicContact CG2-CE2 3.97Å; I809-F815 WeakPolarHBondContact O-CD2 3.42Å; I809-F815 WeakPolarHBondContact O-CE2 3.32Å
810	K	97.5	Very high	95	Very high	32 Å²	32	56.4 Å²	56.4	14%	0.139	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-32.4	-175.7	-68.1	-176.7	177.1	172.6	0	113.8	V625 E629 V806 D807 H812 W820	V625-K810 HydrophobicContact CG1-CG 4.14Å; E629-K810 IonicContact OE1-NZ 3.38Å; E629-K810 PolarHBondContact OE1-NZ 2.9Å; E629-K810 WeakPolarHBondContact OE2-CE 3.44Å; E629-K810 IonicContact OE2-NZ 3.24Å; E629-K810 PolarHBondContact OE2-NZ 2.97Å; V806-K810 HydrophobicContact CG2-CG 4.48Å; V806-K810 PolarHBondContact O-N 3.47Å; D807-K810 PolarHBondContact O-N 3.23Å; K810-H812 VanDerWaalsContact C-N 3.29Å; K810-W820 HydrophobicContact CB-CD2 4.23Å; K810-W820 HydrophobicContact CB-CH2 4.18Å; K810-W820 HydrophobicContact CB-CZ2 3.61Å; K810-W820 HydrophobicContact CD-CD2 3.92Å; K810-W820 HydrophobicContact CD-CE3 4.08Å; K810-W820 HydrophobicContact CD-CG 4.3Å; K810-W820 HydrophobicContact CD-CZ3 4.47Å; K810-W820 HydrophobicContact CG-CD2 3.91Å; K810-W820 HydrophobicContact CG-CE3 3.98Å; K810-W820 HydrophobicContact CG-CH2 3.8Å; K810-W820 HydrophobicContact CG-CZ2 3.72Å; K810-W820 HydrophobicContact CG-CZ3 3.92Å; K810-W820 WeakPolarHBondContact O-CZ2 3.48Å
811	N	96.9	Very high	95	Very high	129 Å²	129	54.4 Å²	54.4	69%	0.69	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	5	178.1	-65.1	-40.9	0	0	0	113.3	D807 I809	D807-N811 VanDerWaalsContact O-CB 3.28Å; D807-N811 WeakPolarHBondContact O-CB 3.43Å; D807-N811 VanDerWaalsContact O-CG 3.26Å; D807-N811 PolarHBondContact O-N 2.87Å; D807-N811 PolarHBondContact O-ND2 3.24Å; I809-N811 VanDerWaalsContact C-N 3.31Å; I809-N811 PolarHBondContact O-N 2.96Å
812	H	98	Very high	94.9	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.042	31%	0.307	C	S	.	.	S	Bend	trans	-65.5	138.9	177.2	-168.7	-85.3	0	0	0	110.6	D786 D789 L790 I809 K810 F814 F815	D786-H812 PolarHBondContact O-CE1 2.84Å; D789-H812 IonicContact OD2-CE1 2.72Å; D789-H812 IonicContact OD2-NE2 3.32Å; D789-H812 PolarHBondContact OD2-NE2 3.01Å; D789-H812 VanDerWaalsContact OD2-NE2 3.16Å; L790-H812 HydrophobicContact CD1-CB 4.31Å; I809-H812 WeakPolarHBondContact O-CB 3.3Å; I809-H812 PolarHBondContact O-N 2.89Å; I809-H812 VanDerWaalsContact O-N 3.13Å; K810-H812 VanDerWaalsContact C-N 3.29Å; H812-F814 WeakPolarHBondContact ND1-CB 3.39Å; H812-F814 PolarHBondContact ND1-N 3.03Å; H812-F814 PolarHBondContact O-N 2.99Å; H812-F815 HydrophobicContact CB-CD2 4.09Å; H812-F815 HydrophobicContact CB-CE2 4.44Å; H812-F815 PolarHBondContact O-N 3.29Å
813	P	97.5	Very high	94.8	Very high	70 Å²	70	55 Å²	55	46%	0.455	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-52.1	-30.9	-177.8	-30.6	36.1	0	0	0	115.1	D786 F815 D816	D786-P813 HydrophobicContact CB-CB 4.46Å; P813-F815 PolarHBondContact O-N 2.97Å; P813-F815 VanDerWaalsContact O-N 3.14Å; P813-D816 VanDerWaalsContact O-CB 3.32Å; P813-D816 WeakPolarHBondContact O-CB 3.5Å; P813-D816 PolarHBondContact O-N 3.43Å
814	F	97.9	Very high	94.9	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.026	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-55.3	-29.8	174.5	-178.8	-115.2	0	0	0	113.9	E614 R618 L746 D786 V787 L790 H812	E614-F814 HydrophobicContact CB-CE2 4.5Å; R618-F814 HydrophobicContact CB-CE1 3.82Å; R618-F814 HydrophobicContact CB-CE2 4.12Å; R618-F814 HydrophobicContact CB-CZ 3.51Å; R618-F814 WeakPolarHBondContact CD-O 3.45Å; R618-F814 HydrophobicContact CG-CE1 4.11Å; R618-F814 HydrophobicContact CG-CZ 4.18Å; L746-F814 HydrophobicContact CD1-CE1 4.36Å; L746-F814 HydrophobicContact CD1-CZ 4.35Å; D786-F814 HydrophobicContact CB-CB 4.07Å; V787-F814 HydrophobicContact CB-CD2 4.42Å; V787-F814 HydrophobicContact CB-CE2 4.39Å; V787-F814 HydrophobicContact CG2-CD2 3.39Å; V787-F814 HydrophobicContact CG2-CE2 3.09Å; V787-F814 HydrophobicContact CG2-CG 4.42Å; V787-F814 HydrophobicContact CG2-CZ 3.87Å; L790-F814 HydrophobicContact CB-CB 4.48Å; L790-F814 HydrophobicContact CD2-CB 4.03Å; L790-F814 HydrophobicContact CD2-CD1 3.32Å; L790-F814 HydrophobicContact CD2-CE1 4.06Å; L790-F814 HydrophobicContact CD2-CG 3.94Å; H812-F814 WeakPolarHBondContact ND1-CB 3.39Å; H812-F814 PolarHBondContact ND1-N 3.03Å; H812-F814 PolarHBondContact O-N 2.99Å
815	F	98	Very high	95.1	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.026	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-99	19.1	178.5	-55.9	-71.3	0	0	0	113.3	R618 I621 A622 L790 I809 H812 P813 G817 V818 W820	R618-F815 HydrophobicContact CG-CD1 4.08Å; I621-F815 HydrophobicContact CB-CE1 4.38Å; I621-F815 HydrophobicContact CG2-CE1 3.99Å; I621-F815 HydrophobicContact CG2-CZ 3.7Å; A622-F815 HydrophobicContact CB-CD1 4.09Å; A622-F815 HydrophobicContact CB-CE1 4.11Å; L790-F815 HydrophobicContact CD1-CE2 4.32Å; L790-F815 HydrophobicContact CD2-CE2 3.59Å; L790-F815 HydrophobicContact CD2-CZ 3.61Å; I809-F815 HydrophobicContact CG2-CE2 3.97Å; I809-F815 WeakPolarHBondContact O-CD2 3.42Å; I809-F815 WeakPolarHBondContact O-CE2 3.32Å; H812-F815 HydrophobicContact CB-CD2 4.09Å; H812-F815 HydrophobicContact CB-CE2 4.44Å; H812-F815 PolarHBondContact O-N 3.29Å; P813-F815 PolarHBondContact O-N 2.97Å; P813-F815 VanDerWaalsContact O-N 3.14Å; F815-G817 PolarHBondContact O-N 3.3Å; F815-V818 HydrophobicContact CB-CB 4.26Å; F815-V818 HydrophobicContact CB-CG2 3.96Å; F815-V818 HydrophobicContact CD1-CG2 4.35Å; F815-V818 VanDerWaalsContact O-CB 3.28Å; F815-V818 WeakPolarHBondContact O-CB 3.44Å; F815-V818 VanDerWaalsContact O-CG2 3.29Å; F815-V818 WeakPolarHBondContact O-CG2 3.47Å; F815-V818 PolarHBondContact O-N 3.39Å; F815-W820 HydrophobicContact CB-CH2 4.29Å; F815-W820 HydrophobicContact CB-CZ2 3.62Å; F815-W820 AromaticContact CD1-CH2 3.92Å; F815-W820 HydrophobicContact CD1-CH2 3.92Å; F815-W820 HydrophobicContact CD1-CZ2 4.12Å; F815-W820 HydrophobicContact CD2-CH2 4.12Å; F815-W820 HydrophobicContact CD2-CZ2 4.05Å; F815-W820 HydrophobicContact CE1-CH2 4.25Å; F815-W820 HydrophobicContact CE2-CH2 4.44Å; F815-W820 AromaticContact CG-CH2 3.86Å; F815-W820 HydrophobicContact CG-CH2 3.86Å; F815-W820 AromaticContact CG-CZ2 3.68Å; F815-W820 HydrophobicContact CG-CZ2 3.68Å
816	D	94.9	Very high	95.1	Very high	145 Å²	145	57.2 Å²	57.2	78%	0.775	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	133.7	175.6	-170.2	29	0	0	0	111.1	P813 V818	P813-D816 VanDerWaalsContact O-CB 3.32Å; P813-D816 WeakPolarHBondContact O-CB 3.5Å; P813-D816 PolarHBondContact O-N 3.43Å; D816-V818 VanDerWaalsContact C-N 3.32Å; D816-V818 PolarHBondContact O-N 3.25Å
817	G	92.5	Very high	95	Very high	78 Å²	78	62 Å²	62	80%	0.804	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	3.1	-174.8	0	0	0	0	0	116.7	F815 D819	F815-G817 PolarHBondContact O-N 3.3Å; G817-D819 PolarHBondContact O-N 3.28Å
818	V	95.3	Very high	95	Very high	31 Å²	31	59 Å²	59	19%	0.188	33%	0.327	C	S	.	.			trans	-76.5	122.4	177.3	175.1	0	0	0	0	111.4	R618 A622 F815 D816 W820 L823	R618-V818 HydrophobicContact CG-CG2 4.16Å; A622-V818 HydrophobicContact CB-CG1 4.01Å; F815-V818 HydrophobicContact CB-CB 4.26Å; F815-V818 HydrophobicContact CB-CG2 3.96Å; F815-V818 HydrophobicContact CD1-CG2 4.35Å; F815-V818 VanDerWaalsContact O-CB 3.28Å; F815-V818 WeakPolarHBondContact O-CB 3.44Å; F815-V818 VanDerWaalsContact O-CG2 3.29Å; F815-V818 WeakPolarHBondContact O-CG2 3.47Å; F815-V818 PolarHBondContact O-N 3.39Å; D816-V818 VanDerWaalsContact C-N 3.32Å; D816-V818 PolarHBondContact O-N 3.25Å; V818-W820 HydrophobicContact CG1-CD2 4.08Å; V818-W820 HydrophobicContact CG1-CE3 4.44Å; V818-W820 HydrophobicContact CG1-CG 4.44Å; V818-W820 HydrophobicContact CG1-CZ2 4.24Å; V818-W820 PolarHBondContact O-N 3.26Å; V818-L823 HydrophobicContact CG1-CD2 3.81Å; V818-L823 HydrophobicContact CG1-CG 4.42Å
819	D	94.5	Very high	95	Very high	73 Å²	73	58.4 Å²	58.4	39%	0.39	33%	0.328	S	S	.	.			trans	-86.2	93.8	170.4	-178.5	-9	0	0	0	110.9	G817 E821 N822 L823	G817-D819 PolarHBondContact O-N 3.28Å; D819-E821 PolarHBondContact O-N 3.45Å; D819-E821 PolarHBondContact OD1-N 2.92Å; D819-N822 PolarHBondContact O-N 2.92Å; D819-N822 PolarHBondContact OD1-N 3.44Å; D819-N822 PolarHBondContact OD1-ND2 3.47Å; D819-N822 WeakPolarHBondContact OD2-CB 3.41Å; D819-N822 PolarHBondContact OD2-ND2 3.02Å; D819-L823 WeakPolarHBondContact O-CG 3.36Å; D819-L823 PolarHBondContact O-N 3.37Å
820	W	95.3	Very high	94.8	Very high	52 Å²	52	59.5 Å²	59.5	20%	0.197	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.5	-178.3	-62.5	97	0	0	0	114.8	A622 V625 K810 F815 V818 L823	A622-W820 HydrophobicContact CB-CH2 4.04Å; A622-W820 HydrophobicContact CB-CZ3 3.9Å; A622-W820 WeakPolarHBondContact O-CZ3 3.22Å; V625-W820 HydrophobicContact CB-CH2 4.43Å; V625-W820 HydrophobicContact CB-CZ3 4.03Å; V625-W820 HydrophobicContact CG1-CH2 4.25Å; V625-W820 HydrophobicContact CG1-CZ3 3.9Å; K810-W820 HydrophobicContact CB-CD2 4.23Å; K810-W820 HydrophobicContact CB-CH2 4.18Å; K810-W820 HydrophobicContact CB-CZ2 3.61Å; K810-W820 HydrophobicContact CD-CD2 3.92Å; K810-W820 HydrophobicContact CD-CE3 4.08Å; K810-W820 HydrophobicContact CD-CG 4.3Å; K810-W820 HydrophobicContact CD-CZ3 4.47Å; K810-W820 HydrophobicContact CG-CD2 3.91Å; K810-W820 HydrophobicContact CG-CE3 3.98Å; K810-W820 HydrophobicContact CG-CH2 3.8Å; K810-W820 HydrophobicContact CG-CZ2 3.72Å; K810-W820 HydrophobicContact CG-CZ3 3.92Å; K810-W820 WeakPolarHBondContact O-CZ2 3.48Å; F815-W820 HydrophobicContact CB-CH2 4.29Å; F815-W820 HydrophobicContact CB-CZ2 3.62Å; F815-W820 AromaticContact CD1-CH2 3.92Å; F815-W820 HydrophobicContact CD1-CH2 3.92Å; F815-W820 HydrophobicContact CD1-CZ2 4.12Å; F815-W820 HydrophobicContact CD2-CH2 4.12Å; F815-W820 HydrophobicContact CD2-CZ2 4.05Å; F815-W820 HydrophobicContact CE1-CH2 4.25Å; F815-W820 HydrophobicContact CE2-CH2 4.44Å; F815-W820 AromaticContact CG-CH2 3.86Å; F815-W820 HydrophobicContact CG-CH2 3.86Å; F815-W820 AromaticContact CG-CZ2 3.68Å; F815-W820 HydrophobicContact CG-CZ2 3.68Å; V818-W820 HydrophobicContact CG1-CD2 4.08Å; V818-W820 HydrophobicContact CG1-CE3 4.44Å; V818-W820 HydrophobicContact CG1-CG 4.44Å; V818-W820 HydrophobicContact CG1-CZ2 4.24Å; V818-W820 PolarHBondContact O-N 3.26Å; W820-L823 HydrophobicContact CE3-CD1 4.15Å
821	E	91.4	Very high	94.6	Very high	100 Å²	100	62 Å²	62	47%	0.467	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-28.1	-177.7	-68.3	-179.8	-165.9	0	0	112.2	H338 D819	H338-E821 WeakPolarHBondContact CB-OE1 3.48Å; H338-E821 WeakPolarHBondContact CB-OE2 3.33Å; H338-E821 IonicContact CD2-OE1 2.83Å; H338-E821 IonicContact CD2-OE2 3.83Å; H338-E821 IonicContact CE1-OE1 3.35Å; H338-E821 PolarHBondContact CE1-OE1 3.31Å; H338-E821 VanDerWaalsContact CG-CD 3.46Å; H338-E821 IonicContact CG-OE1 3.79Å; H338-E821 IonicContact CG-OE2 3.79Å; H338-E821 IonicContact ND1-OE1 2.85Å; H338-E821 PolarHBondContact ND1-OE1 3.39Å; H338-E821 IonicContact NE2-OE1 3.86Å; D819-E821 PolarHBondContact O-N 3.45Å; D819-E821 PolarHBondContact OD1-N 2.92Å
822	N	92.9	Very high	94.5	Very high	35 Å²	35	56.3 Å²	56.3	19%	0.187	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	16.7	-174.1	-57.2	-71.4	0	0	0	114.3	D819 R824 K825	D819-N822 PolarHBondContact O-N 2.92Å; D819-N822 PolarHBondContact OD1-N 3.44Å; D819-N822 PolarHBondContact OD1-ND2 3.47Å; D819-N822 WeakPolarHBondContact OD2-CB 3.41Å; D819-N822 PolarHBondContact OD2-ND2 3.02Å; N822-R824 VanDerWaalsContact C-N 3.29Å; N822-R824 PolarHBondContact O-N 2.99Å; N822-K825 HydrophobicContact CB-CB 4.45Å; N822-K825 HydrophobicContact CB-CD 4.13Å; N822-K825 WeakPolarHBondContact O-CB 3.38Å; N822-K825 PolarHBondContact O-N 3.02Å; N822-K825 WeakPolarHBondContact OD1-CD 3.35Å; N822-K825 WeakPolarHBondContact OD1-CE 3.34Å; N822-K825 PolarHBondContact OD1-NZ 2.85Å
823	L	93.2	Very high	94.2	Very high	5 Å²	5	63 Å²	63	3%	0.026	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-46.5	-47.7	178.3	-82.2	173	0	0	0	113.6	W576 A622 E623 V818 D819 W820 K825 L826	W576-L823 HydrophobicContact CH2-CB 4.45Å; A622-L823 HydrophobicContact CB-CD1 4.03Å; A622-L823 HydrophobicContact CB-CD2 4.2Å; E623-L823 HydrophobicContact CG-CD1 4.47Å; V818-L823 HydrophobicContact CG1-CD2 3.81Å; V818-L823 HydrophobicContact CG1-CG 4.42Å; D819-L823 WeakPolarHBondContact O-CG 3.36Å; D819-L823 PolarHBondContact O-N 3.37Å; W820-L823 HydrophobicContact CE3-CD1 4.15Å; L823-K825 PolarHBondContact O-N 3.19Å; L823-L826 WeakPolarHBondContact O-CB 3.48Å; L823-L826 PolarHBondContact O-N 3.42Å
824	R	93.8	Very high	94	Very high	39 Å²	39	62.3 Å²	62.3	15%	0.147	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-73.9	-7.3	-179.2	-66.2	-166.1	86.7	104.1	-3.8	115.2	E575 W576 D649 H653 I654 N822	E575-R824 PolarHBondContact O-NH1 3.03Å; W576-R824 HydrophobicContact CH2-CG 3.79Å; W576-R824 HydrophobicContact CZ2-CG 4.43Å; W576-R824 HydrophobicContact CZ3-CG 4.05Å; D649-R824 IonicContact OD2-CZ 3.52Å; D649-R824 IonicContact OD2-NH2 3.31Å; D649-R824 PolarHBondContact OD2-NH2 3.45Å; H653-R824 VanDerWaalsContact CB-CZ 3.47Å; H653-R824 VanDerWaalsContact CB-NH2 3.25Å; H653-R824 VanDerWaalsContact CE1-CA 3.45Å; H653-R824 WeakPolarHBondContact CE1-CA 3.33Å; H653-R824 PolarHBondContact NE2-O 3.11Å; I654-R824 PolarHBondContact O-NH1 2.9Å; N822-R824 VanDerWaalsContact C-N 3.29Å; N822-R824 PolarHBondContact O-N 2.99Å
825	K	92.7	Very high	93.6	Very high	138 Å²	138	68.9 Å²	68.9	60%	0.6	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-90.1	-16.6	173.6	-60.9	-179.7	-174.6	161.8	0	111.5	N822 L823	N822-K825 HydrophobicContact CB-CB 4.45Å; N822-K825 HydrophobicContact CB-CD 4.13Å; N822-K825 WeakPolarHBondContact O-CB 3.38Å; N822-K825 PolarHBondContact O-N 3.02Å; N822-K825 WeakPolarHBondContact OD1-CD 3.35Å; N822-K825 WeakPolarHBondContact OD1-CE 3.34Å; N822-K825 PolarHBondContact OD1-NZ 2.85Å; L823-K825 PolarHBondContact O-N 3.19Å
826	L	91.9	Very high	93.3	Very high	81 Å²	81	73.9 Å²	73.9	42%	0.424	40%	0.401	S	S	.	.	S	Bend	trans	-77.5	142.1	175.4	-60.4	176.1	0	0	0	109.2	F619 H653 L823 A828	F619-L826 HydrophobicContact CE2-CB 4.33Å; H653-L826 PolarHBondContact CE1-O 2.95Å; H653-L826 PolarHBondContact NE2-O 2.96Å; L823-L826 WeakPolarHBondContact O-CB 3.48Å; L823-L826 PolarHBondContact O-N 3.42Å; L826-A828 PolarHBondContact O-N 3.48Å
827	P	93.4	Very high	92.9	Very high	120 Å²	120	74 Å²	74	78%	0.779	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-62.2	127.9	172.5	26.5	-33	0	0	0	109.8
828	A	95.2	Very high	92.8	Very high	9 Å²	9	71.4 Å²	71.4	7%	0.074	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.6	145	177.4	0	0	0	0	0	111.2	F619 D651 G652 L826 Y830	F619-A828 HydrophobicContact CE1-CB 3.97Å; F619-A828 HydrophobicContact CZ-CB 4.03Å; D651-A828 WeakPolarHBondContact O-CB 3.47Å; G652-A828 VanDerWaalsContact C-CB 3.5Å; G652-A828 WeakPolarHBondContact O-CB 3.44Å; L826-A828 PolarHBondContact O-N 3.48Å; A828-Y830 PolarHBondContact O-N 3.46Å; A828-Y830 VanDerWaalsContact O-N 3.14Å
829	P	94.7	Very high	92.7	Very high	67 Å²	67	70.4 Å²	70.4	44%	0.435	36%	0.362	S	S	.	.	S	Bend	trans	-61.5	-22.1	178.6	-23	32.4	0	0	0	114.3	M616 F619	M616-P829 HydrophobicContact CB-CB 4.21Å; M616-P829 HydrophobicContact CG-CB 3.95Å; M616-P829 HydrophobicContact CG-CG 4.42Å; F619-P829 HydrophobicContact CB-CG 3.77Å; F619-P829 HydrophobicContact CD1-CG 3.88Å; F619-P829 HydrophobicContact CD2-CG 4.28Å; F619-P829 VanDerWaalsContact CG-CD 3.49Å; F619-P829 HydrophobicContact CG-CG 3.7Å
830	Y	93.6	Very high	92.5	Very high	25 Å²	25	67.7 Å²	67.7	10%	0.098	35%	0.348	C	S	.	.			trans	-134	119	175.1	171.7	-97.2	0	0	0	109.9	L605 K608 Y620 G652 A828 P832	L605-Y830 HydrophobicContact CD1-CD1 3.56Å; L605-Y830 HydrophobicContact CD1-CD2 3.84Å; L605-Y830 HydrophobicContact CD1-CE1 3.61Å; L605-Y830 HydrophobicContact CD1-CE2 3.88Å; L605-Y830 HydrophobicContact CD1-CG 3.66Å; L605-Y830 HydrophobicContact CD2-CD1 3.7Å; L605-Y830 HydrophobicContact CD2-CE1 4.31Å; L605-Y830 HydrophobicContact CD2-CG 4.11Å; L605-Y830 HydrophobicContact CG-CD1 4.25Å; L605-Y830 HydrophobicContact CG-CE1 4.48Å; K608-Y830 PolarHBondContact NZ-OH 2.99Å; Y620-Y830 PolarHBondContact OH-O 3.29Å; G652-Y830 VanDerWaalsContact CA-O 3.28Å; G652-Y830 WeakPolarHBondContact CA-O 3.44Å; A828-Y830 PolarHBondContact O-N 3.46Å; A828-Y830 VanDerWaalsContact O-N 3.14Å; Y830-P832 HydrophobicContact CE1-CB 4.08Å
831	T	93.9	Very high	92.1	Very high	85 Å²	85	68.8 Å²	68.8	52%	0.521	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-101.3	123.5	170.1	-50.5	0	0	0	0	108.4
832	P	93.3	Very high	92	Very high	8 Å²	8	65.5 Å²	65.5	5%	0.052	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.8	145.5	177.8	27.8	-33.2	0	0	0	111.2	I648 D649 Y830 I834	I648-P832 HydrophobicContact CG2-CG 4.31Å; D649-P832 VanDerWaalsContact O-CG 3.26Å; D649-P832 WeakPolarHBondContact O-CG 3.21Å; Y830-P832 HydrophobicContact CE1-CB 4.08Å; P832-I834 HydrophobicContact CB-CG1 4.5Å; P832-I834 HydrophobicContact CG-CD1 4.05Å; P832-I834 HydrophobicContact CG-CG1 4.47Å; P832-I834 PolarHBondContact O-N 3.34Å
833	E	92.7	Very high	91.7	Very high	151 Å²	151	65.2 Å²	65.2	71%	0.706	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-77.3	123.1	170.7	-70.2	174.7	-164	0	0	108.7	N842	E833-N842 PolarHBondContact O-ND2 2.99Å
834	I	92.4	Very high	91.2	Very high	54 Å²	54	69.9 Å²	69.9	28%	0.277	37%	0.371	S	S	.	.			trans	-130.9	115.3	-179.1	-63	162.1	0	0	0	107.4	P598 R650 P832 H836 D839	P598-I834 HydrophobicContact CB-CD1 3.97Å; P598-I834 HydrophobicContact CB-CG1 4.25Å; P598-I834 HydrophobicContact CB-CG2 4.35Å; P598-I834 HydrophobicContact CG-CD1 3.58Å; P598-I834 HydrophobicContact CG-CG1 4.39Å; R650-I834 HydrophobicContact CB-CD1 3.75Å; P832-I834 HydrophobicContact CB-CG1 4.5Å; P832-I834 HydrophobicContact CG-CD1 4.05Å; P832-I834 HydrophobicContact CG-CG1 4.47Å; P832-I834 PolarHBondContact O-N 3.34Å; I834-H836 VanDerWaalsContact CG2-O 3.3Å; I834-H836 WeakPolarHBondContact CG2-O 3.37Å; I834-D839 HydrophobicContact CG2-CB 4.16Å
835	L	90.5	Very high	90.3	Very high	145 Å²	145	73.5 Å²	73.5	76%	0.759	40%	0.4	S	S	*	.	S	Bend	trans	-77.1	-34.3	-174.9	-62.9	174.5	0	0	0	112.8	D839	L835-D839 HydrophobicContact CB-CB 4.46Å; L835-D839 WeakPolarHBondContact CB-OD2 2.88Å; L835-D839 PolarHBondContact N-OD2 3.43Å
836	H	90.4	Very high	89.5	Confident	111 Å²	111	69 Å²	69	51%	0.514	38%	0.384	S	S	.	.	S	Bend	trans	-161.4	168.2	-177.9	57.6	-67	0	0	0	110.1	I834 A838 D839	I834-H836 VanDerWaalsContact CG2-O 3.3Å; I834-H836 WeakPolarHBondContact CG2-O 3.37Å; H836-A838 PolarHBondContact O-N 3.07Å; H836-D839 PolarHBondContact NE2-N 3.24Å; H836-D839 WeakPolarHBondContact O-CB 3.38Å; H836-D839 PolarHBondContact O-N 2.67Å
837	E	88.5	Confident	88.3	Confident	146 Å²	146	69.7 Å²	69.7	68%	0.682	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.4	-174.1	-61.7	-170.1	159.8	0	0	114.4	L542 Y596	L542-E837 HydrophobicContact CD1-CB 3.72Å; L542-E837 WeakPolarHBondContact CD1-O 3.39Å; Y596-E837 WeakPolarHBondContact CE1-O 3.41Å
838	A	90.4	Very high	86.8	Confident	25 Å²	25	70.6 Å²	70.6	21%	0.207	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	10.8	176.5	0	0	0	0	0	113.2	L520 L533 L542 H836 T840	L520-A838 HydrophobicContact CD1-CB 4.26Å; L533-A838 HydrophobicContact CD2-CB 4.05Å; L542-A838 HydrophobicContact CD1-CB 4Å; L542-A838 HydrophobicContact CD2-CB 4.12Å; H836-A838 PolarHBondContact O-N 3.07Å; A838-T840 PolarHBondContact O-N 3.33Å
839	D	91.3	Very high	84.7	Confident	9 Å²	9	75.6 Å²	75.6	5%	0.048	41%	0.412	C	S	.	.			trans	-64.4	127.7	-180	-172.8	7.4	0	0	0	110.5	Y596 I834 L835 H836 S841	Y596-D839 PolarHBondContact OH-O 3.29Å; I834-D839 HydrophobicContact CG2-CB 4.16Å; L835-D839 HydrophobicContact CB-CB 4.46Å; L835-D839 WeakPolarHBondContact CB-OD2 2.88Å; L835-D839 PolarHBondContact N-OD2 3.43Å; H836-D839 PolarHBondContact NE2-N 3.24Å; H836-D839 WeakPolarHBondContact O-CB 3.38Å; H836-D839 PolarHBondContact O-N 2.67Å; D839-S841 VanDerWaalsContact CG-OG 3.26Å; D839-S841 WeakPolarHBondContact OD1-CB 3.36Å; D839-S841 PolarHBondContact OD1-N 3.19Å; D839-S841 PolarHBondContact OD1-OG 2.95Å; D839-S841 PolarHBondContact OD2-OG 3.16Å
840	T	90.6	Very high	82.4	Confident	17 Å²	17	80.1 Å²	80.1	10%	0.104	42%	0.424	C	S	.	.			trans	-119.4	16.6	-178.7	51.3	0	0	0	0	111.7	K521 I523 L533 Y596 A838 N842 F843	K521-T840 HydrophobicContact CD-CG2 3.97Å; K521-T840 WeakPolarHBondContact CD-OG1 3.49Å; K521-T840 PolarHBondContact NZ-OG1 2.89Å; I523-T840 HydrophobicContact CG2-CG2 3.65Å; L533-T840 HydrophobicContact CD2-CG2 3.68Å; Y596-T840 WeakPolarHBondContact OH-CG2 3.4Å; A838-T840 PolarHBondContact O-N 3.33Å; T840-N842 VanDerWaalsContact C-N 3.27Å; T840-N842 PolarHBondContact O-N 3.39Å; T840-F843 PolarHBondContact O-N 3.5Å
841	S	87.9	Confident	80.1	Confident	75 Å²	75	84.6 Å²	84.6	52%	0.524	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.5	-177.4	61.7	0	0	0	0	114	D839 F843	D839-S841 VanDerWaalsContact CG-OG 3.26Å; D839-S841 WeakPolarHBondContact OD1-CB 3.36Å; D839-S841 PolarHBondContact OD1-N 3.19Å; D839-S841 PolarHBondContact OD1-OG 2.95Å; D839-S841 PolarHBondContact OD2-OG 3.16Å; S841-F843 VanDerWaalsContact C-N 3.28Å; S841-F843 PolarHBondContact O-N 3.35Å
842	N	89.2	Confident	78	Confident	31 Å²	31	83.8 Å²	83.8	17%	0.166	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.4	176.5	-63	-58.4	0	0	0	113.8	P598 E833 T840	P598-N842 PolarHBondContact O-ND2 3.28Å; P598-N842 VanDerWaalsContact O-ND2 3.11Å; E833-N842 PolarHBondContact O-ND2 2.99Å; T840-N842 VanDerWaalsContact C-N 3.27Å; T840-N842 PolarHBondContact O-N 3.39Å
843	F	86.9	Confident	75.4	Confident	28 Å²	28	88.6 Å²	88.6	12%	0.123	47%	0.471	C	S	.	.	S	Bend	trans	-100.4	148.1	176.2	-66	-91	0	0	0	111.2	I523 Y596 I597 T840 S841	I523-F843 HydrophobicContact CB-CD1 4.1Å; I523-F843 HydrophobicContact CB-CE1 4.36Å; I523-F843 HydrophobicContact CB-CG 4.23Å; I523-F843 HydrophobicContact CD1-CE1 4.37Å; I523-F843 HydrophobicContact CD1-CZ 4.38Å; I523-F843 HydrophobicContact CG2-CD2 4.49Å; I523-F843 HydrophobicContact CG2-CG 4.5Å; Y596-F843 AromaticContact CE2-CE2 3.72Å; Y596-F843 HydrophobicContact CE2-CE2 3.72Å; Y596-F843 AromaticContact CE2-CZ 3.85Å; Y596-F843 HydrophobicContact CE2-CZ 3.85Å; Y596-F843 AromaticContact CZ-CE2 3.91Å; Y596-F843 VanDerWaalsContact OH-CE2 3.29Å; Y596-F843 WeakPolarHBondContact OH-CE2 3.4Å; I597-F843 VanDerWaalsContact O-CZ 3.25Å; I597-F843 WeakPolarHBondContact O-CZ 3.43Å; T840-F843 PolarHBondContact O-N 3.5Å; S841-F843 VanDerWaalsContact C-N 3.28Å; S841-F843 PolarHBondContact O-N 3.35Å
844	D	81.3	Confident	72.8	Confident	103 Å²	103	88.9 Å²	88.9	55%	0.551	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-61.3	136.2	174	-83.4	-20.5	0	0	0	111	V846	D844-V846 PolarHBondContact O-N 2.91Å; D844-V846 VanDerWaalsContact O-N 3.13Å
845	P	75.9	Confident	70.3	Confident	115 Å²	115	88.8 Å²	88.8	75%	0.747	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-64.2	118.2	178.7	24.9	-32	0	0	0	110.1
846	V	75.2	Confident	67.7	Low	44 Å²	44	93 Å²	93	27%	0.267	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-82.8	125.5	173.5	-179.2	0	0	0	0	108.8	T522 V525 D844 E848	T522-V846 HydrophobicContact CG2-CB 4.33Å; T522-V846 HydrophobicContact CG2-CG1 3.97Å; T522-V846 HydrophobicContact CG2-CG2 4.21Å; V525-V846 HydrophobicContact CG2-CG1 3.45Å; V525-V846 VanDerWaalsContact CG2-CG1 3.45Å; V525-V846 HydrophobicContact CG2-CG2 4.34Å; D844-V846 PolarHBondContact O-N 2.91Å; D844-V846 VanDerWaalsContact O-N 3.13Å; V846-E848 PolarHBondContact O-N 3.25Å; V846-E848 VanDerWaalsContact O-N 3.09Å
847	D	67.9	Low	65.2	Low	96 Å²	96	93.5 Å²	93.5	51%	0.513	50%	0.502	S	S	.	.			trans	-73.1	98.8	173.2	-164.8	-9.7	0	0	0	109.4	T849 K850	D847-T849 PolarHBondContact O-N 3.39Å; D847-T849 PolarHBondContact OD1-N 3.31Å; D847-T849 PolarHBondContact OD1-OG1 2.86Å; D847-T849 PolarHBondContact OD2-OG1 3.38Å; D847-K850 PolarHBondContact O-N 3.23Å; D847-K850 VanDerWaalsContact O-N 3.13Å
848	E	60.7	Low	62.8	Low	138 Å²	138	94.3 Å²	94.3	65%	0.645	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.3	-178.2	-64.4	-174.4	169	0	0	112.8	V846 K850 D851	V846-E848 PolarHBondContact O-N 3.25Å; V846-E848 VanDerWaalsContact O-N 3.09Å; E848-K850 PolarHBondContact O-N 3.45Å; E848-D851 PolarHBondContact O-N 3.12Å
849	T	50.5	Low	60.3	Low	115 Å²	115	96 Å²	96	71%	0.706	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.7	177.5	64.1	0	0	0	0	113.3	D847 D851	D847-T849 PolarHBondContact O-N 3.39Å; D847-T849 PolarHBondContact OD1-N 3.31Å; D847-T849 PolarHBondContact OD1-OG1 2.86Å; D847-T849 PolarHBondContact OD2-OG1 3.38Å; T849-D851 PolarHBondContact O-N 3.48Å
850	K	48.3	Very low	57.8	Low	162 Å²	162	101.6 Å²	101.6	70%	0.704	57%	0.569	S	S	*	*			trans	-80.9	54.8	167.7	-65.9	-177.1	-176.4	173.5	0	110.3	D847 E848 L852	D847-K850 PolarHBondContact O-N 3.23Å; D847-K850 VanDerWaalsContact O-N 3.13Å; E848-K850 PolarHBondContact O-N 3.45Å; K850-L852 PolarHBondContact O-N 3.39Å
851	D	44.9	Very low	55.5	Low	118 Å²	118	108.3 Å²	108.3	63%	0.631	60%	0.597	S	S	*	*			trans	-49	115.7	156.9	-99.4	-26.1	0	0	0	106.3	E848 T849 T853	E848-D851 PolarHBondContact O-N 3.12Å; T849-D851 PolarHBondContact O-N 3.48Å; D851-T853 HydrophobicContact CB-CG2 4.01Å; D851-T853 PolarHBondContact O-N 3.37Å; D851-T853 PolarHBondContact O-OG1 3.04Å
852	L	49.9	Very low	53.6	Low	68 Å²	68	111.5 Å²	111.5	36%	0.356	61%	0.608	S	S	.	*			trans	-67.2	31.4	179.4	-71.8	166.2	0	0	0	110.9	V525 R549 K850 I854	V525-L852 HydrophobicContact CG1-CD1 4.21Å; R549-L852 VanDerWaalsContact CZ-O 3.25Å; R549-L852 PolarHBondContact NH1-O 3.49Å; R549-L852 PolarHBondContact NH2-O 3.06Å; K850-L852 PolarHBondContact O-N 3.39Å; L852-I854 PolarHBondContact O-N 3.44Å
853	T	38.7	Very low	51.8	Low	109 Å²	109	113 Å²	113	67%	0.669	62%	0.615	S	S	*	*			trans	-75.5	30.7	178.9	52.7	0	0	0	0	112.1	D851	D851-T853 HydrophobicContact CB-CG2 4.01Å; D851-T853 PolarHBondContact O-N 3.37Å; D851-T853 PolarHBondContact O-OG1 3.04Å
854	I	37.7	Very low	50.2	Low	158 Å²	158	114.6 Å²	114.6	81%	0.81	63%	0.629	S	S	*	*			trans	-106.5	69.1	167.9	-47.4	179.7	0	0	0	109.2	L852	L852-I854 PolarHBondContact O-N 3.44Å
855	S	40.6	Very low	49.1	Very low	52 Å²	52	112.2 Å²	112.2	36%	0.364	62%	0.617	S	S	.	*			trans	-153.7	95.2	139.6	-20	0	0	0	0	107.3	R551 S857	R551-S855 VanDerWaalsContact CZ-CB 3.47Å; R551-S855 PolarHBondContact NH1-O 2.74Å; R551-S855 PolarHBondContact NH2-OG 3.49Å; S855-S857 PolarHBondContact O-N 3.26Å
856	R	34.8	Very low	48.7	Very low	234 Å²	234	108.2 Å²	108.2	88%	0.883	59%	0.588	S	S	*	*			trans	-47.4	138.1	164.5	-80.6	175.3	166.5	164	-4.7	108.4	I858	R856-I858 VanDerWaalsContact C-N 3.3Å; R856-I858 PolarHBondContact O-N 2.78Å
857	S	38.3	Very low	48.4	Very low	120 Å²	120	106.6 Å²	106.6	84%	0.839	58%	0.579	S	S	*	*			trans	-52.4	86.4	174.4	50.9	0	0	0	0	111.6	S855	S855-S857 PolarHBondContact O-N 3.26Å
858	I	38	Very low	49	Very low	164 Å²	164	102 Å²	102	84%	0.841	56%	0.555	S	S	*	*			trans	-79.1	130.4	157.1	-65.8	175	0	0	0	105.3	R856	R856-I858 VanDerWaalsContact C-N 3.3Å; R856-I858 PolarHBondContact O-N 2.78Å
859	G	37.7	Very low	49.7	Very low	59 Å²	59	99 Å²	99	61%	0.608	54%	0.538	S	S	*	.			trans	-45.6	153.8	-160.1	0	0	0	0	0	115.7	F861	G859-F861 VanDerWaalsContact C-N 3.27Å; G859-F861 PolarHBondContact O-N 3.07Å
860	S	39.2	Very low	51	Low	128 Å²	128	96.2 Å²	96.2	90%	0.895	52%	0.517	S	S	*	.			trans	-46.8	85.6	177.5	56.8	0	0	0	0	111.8	D862	S860-D862 PolarHBondContact O-N 2.79Å
861	F	41.7	Very low	52.7	Low	158 Å²	158	88.5 Å²	88.5	69%	0.693	48%	0.484	S	S	*	.			trans	-67	127.5	159.4	-130.2	-97.1	0	0	0	104.6	G859 M863	G859-F861 VanDerWaalsContact C-N 3.27Å; G859-F861 PolarHBondContact O-N 3.07Å; F861-M863 HydrophobicContact CB-CG 4Å; F861-M863 PolarHBondContact O-N 3.19Å
862	D	48.9	Very low	54.6	Low	141 Å²	141	87 Å²	87	75%	0.754	48%	0.479	S	S	*	.			trans	-66.4	70	170.2	-163.3	15.5	0	0	0	107	S860 S864	S860-D862 PolarHBondContact O-N 2.79Å; D862-S864 PolarHBondContact O-N 3.48Å
863	M	51.1	Low	56.4	Low	63 Å²	63	85.4 Å²	85.4	31%	0.31	47%	0.469	S	S	.	.			trans	-64.6	132.8	-179.2	-67.9	-171.5	77.6	0	0	105.7	R551 I554 F861 D865	R551-M863 HydrophobicContact CB-CE 4.5Å; R551-M863 HydrophobicContact CB-SD 4.06Å; I554-M863 HydrophobicContact CB-CE 3.44Å; I554-M863 VanDerWaalsContact CB-CE 3.44Å; I554-M863 HydrophobicContact CD1-CB 4.25Å; I554-M863 HydrophobicContact CD1-CE 3.9Å; I554-M863 HydrophobicContact CG1-CE 4.26Å; I554-M863 HydrophobicContact CG2-CE 3.41Å; I554-M863 VanDerWaalsContact CG2-CE 3.41Å; F861-M863 HydrophobicContact CB-CG 4Å; F861-M863 PolarHBondContact O-N 3.19Å; M863-D865 PolarHBondContact O-N 2.97Å
864	S	53.8	Low	58.5	Low	61 Å²	61	81 Å²	81	43%	0.427	44%	0.44	S	S	.	.			trans	-58	78.9	-177.8	43.9	0	0	0	0	111.5	D862 H866 A867	D862-S864 PolarHBondContact O-N 3.48Å; S864-H866 PolarHBondContact O-N 3.26Å; S864-A867 WeakPolarHBondContact O-CB 3.47Å; S864-A867 PolarHBondContact O-N 3.03Å
865	D	58.1	Low	60.7	Low	54 Å²	54	74.5 Å²	74.5	29%	0.289	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-50.1	-23.2	174	-118.1	-16.8	0	0	0	110.4	K444 K550 M863 A867 F868	K444-D865 IonicContact NZ-OD2 3.05Å; K550-D865 IonicContact NZ-OD1 2.68Å; K550-D865 PolarHBondContact NZ-OD1 3.3Å; M863-D865 PolarHBondContact O-N 2.97Å; D865-A867 PolarHBondContact O-N 2.76Å; D865-F868 PolarHBondContact O-N 3.18Å
866	H	67.6	Low	62	Low	30 Å²	30	73.8 Å²	73.8	14%	0.139	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-54.9	-28.2	173.7	-47.1	-39.5	0	0	0	114.3	C446 A450 S864 F868 Y869	C446-H866 WeakPolarHBondContact CA-NE2 3.36Å; C446-H866 WeakPolarHBondContact CB-CE1 3.15Å; C446-H866 WeakPolarHBondContact CB-NE2 3.37Å; A450-H866 HydrophobicContact CB-CB 3.97Å; S864-H866 PolarHBondContact O-N 3.26Å; H866-F868 PolarHBondContact O-N 2.95Å; H866-F868 VanDerWaalsContact O-N 3.14Å; H866-Y869 VanDerWaalsContact CA-CD2 3.43Å; H866-Y869 HydrophobicContact CB-CD2 3.86Å; H866-Y869 HydrophobicContact CB-CE2 3.56Å; H866-Y869 PolarHBondContact CE1-OH 2.93Å; H866-Y869 VanDerWaalsContact CE1-OH 3.27Å; H866-Y869 AromaticContact CG-CE2 3.61Å; H866-Y869 AromaticContact ND1-CE2 3.06Å; H866-Y869 WeakPolarHBondContact ND1-CE2 3.47Å; H866-Y869 AromaticContact ND1-CZ 3.14Å; H866-Y869 PolarHBondContact ND1-OH 3.49Å; H866-Y869 WeakPolarHBondContact O-CD2 3.46Å; H866-Y869 PolarHBondContact O-N 3.49Å
867	A	68.6	Low	63.4	Low	11 Å²	11	68.3 Å²	68.3	9%	0.091	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.6	-179.8	0	0	0	0	0	112.3	A559 K563 Y674 S864 D865	A559-A867 HydrophobicContact CB-CB 4.13Å; K563-A867 WeakPolarHBondContact CE-O 3.12Å; K563-A867 PolarHBondContact NZ-O 3.09Å; Y674-A867 HydrophobicContact CD1-CB 4.25Å; S864-A867 WeakPolarHBondContact O-CB 3.47Å; S864-A867 PolarHBondContact O-N 3.03Å; D865-A867 PolarHBondContact O-N 2.76Å
868	F	79.8	Confident	64	Low	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-112.8	23.7	-176.9	-53.3	-65.8	0	0	0	113.5	K550 V553 I554 A559 V562 Q585 L590 D865 H866 F871	K550-F868 HydrophobicContact CB-CE2 4.29Å; K550-F868 HydrophobicContact CD-CD2 4.4Å; K550-F868 HydrophobicContact CG-CD2 4.14Å; K550-F868 HydrophobicContact CG-CE2 4.1Å; V553-F868 HydrophobicContact CB-CZ 4.15Å; V553-F868 HydrophobicContact CG1-CE1 4.08Å; V553-F868 HydrophobicContact CG1-CZ 3.6Å; I554-F868 HydrophobicContact CD1-CE2 3.78Å; I554-F868 HydrophobicContact CG1-CE2 3.7Å; I554-F868 HydrophobicContact CG1-CZ 4.03Å; A559-F868 HydrophobicContact CB-CE1 3.94Å; A559-F868 HydrophobicContact CB-CZ 3.96Å; V562-F868 HydrophobicContact CB-CE1 4.41Å; V562-F868 HydrophobicContact CG1-CE1 4.32Å; Q585-F868 PolarHBondContact NE2-O 3.1Å; L590-F868 HydrophobicContact CD1-CD1 3.54Å; L590-F868 HydrophobicContact CD1-CD2 4.2Å; L590-F868 HydrophobicContact CD1-CE1 3.5Å; L590-F868 HydrophobicContact CD1-CE2 4.14Å; L590-F868 HydrophobicContact CD1-CG 3.91Å; L590-F868 HydrophobicContact CD1-CZ 3.82Å; L590-F868 HydrophobicContact CD2-CB 3.96Å; L590-F868 HydrophobicContact CD2-CD1 4.25Å; L590-F868 HydrophobicContact CD2-CD2 4.14Å; L590-F868 HydrophobicContact CD2-CG 3.85Å; L590-F868 HydrophobicContact CG-CG 4.48Å; D865-F868 PolarHBondContact O-N 3.18Å; H866-F868 PolarHBondContact O-N 2.95Å; H866-F868 VanDerWaalsContact O-N 3.14Å; F868-F871 HydrophobicContact CB-CB 4.34Å; F868-F871 WeakPolarHBondContact O-CB 3.47Å; F868-F871 PolarHBondContact O-N 2.93Å
869	Y	75.7	Confident	64.3	Low	75 Å²	75	63.4 Å²	63.4	29%	0.294	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	149.4	167.9	-71.9	-40.6	0	0	0	112.1	F454 H866 F871	F454-Y869 HydrophobicContact CB-CD2 3.82Å; F454-Y869 HydrophobicContact CB-CE2 4.28Å; F454-Y869 HydrophobicContact CD2-CD1 4.4Å; F454-Y869 AromaticContact CD2-CD2 3.64Å; F454-Y869 HydrophobicContact CD2-CD2 3.64Å; F454-Y869 HydrophobicContact CD2-CE2 4.36Å; F454-Y869 AromaticContact CD2-CG 3.65Å; F454-Y869 HydrophobicContact CD2-CG 3.65Å; F454-Y869 HydrophobicContact CE2-CG 4.23Å; F454-Y869 AromaticContact CG-CD2 3.97Å; F454-Y869 HydrophobicContact CG-CD2 3.97Å; F454-Y869 HydrophobicContact CG-CE2 4.39Å; F454-Y869 HydrophobicContact CG-CG 4.43Å; H866-Y869 VanDerWaalsContact CA-CD2 3.43Å; H866-Y869 HydrophobicContact CB-CD2 3.86Å; H866-Y869 HydrophobicContact CB-CE2 3.56Å; H866-Y869 PolarHBondContact CE1-OH 2.93Å; H866-Y869 VanDerWaalsContact CE1-OH 3.27Å; H866-Y869 AromaticContact CG-CE2 3.61Å; H866-Y869 AromaticContact ND1-CE2 3.06Å; H866-Y869 WeakPolarHBondContact ND1-CE2 3.47Å; H866-Y869 AromaticContact ND1-CZ 3.14Å; H866-Y869 PolarHBondContact ND1-OH 3.49Å; H866-Y869 WeakPolarHBondContact O-CD2 3.46Å; H866-Y869 PolarHBondContact O-N 3.49Å; Y869-F871 PolarHBondContact O-N 3.2Å; Y869-F871 VanDerWaalsContact O-N 3.12Å
870	E	76.8	Confident	64.5	Low	55 Å²	55	63.8 Å²	63.8	26%	0.257	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	19	-177	-63.5	-72	143.4	0	0	114	F454 Q457 H458 N461 R566 T872	F454-E870 HydrophobicContact CE2-CG 4.27Å; Q457-E870 HydrophobicContact CG-CB 4.02Å; Q457-E870 HydrophobicContact CG-CG 4.1Å; H458-E870 IonicContact CE1-OE1 3.48Å; H458-E870 IonicContact CG-OE1 3.94Å; H458-E870 IonicContact ND1-OE1 2.8Å; H458-E870 PolarHBondContact ND1-OE1 3.02Å; N461-E870 WeakPolarHBondContact ND2-CB 3.41Å; N461-E870 PolarHBondContact ND2-OE2 3.1Å; R566-E870 PolarHBondContact NH1-O 3.25Å; E870-T872 PolarHBondContact O-N 2.98Å
871	F	84.6	Confident	64.4	Low	1 Å²	1	60.7 Å²	60.7	0%	0.004	32%	0.321	C	S	.	.			trans	-66.9	-20	175.1	-173.4	-97.7	0	0	0	112.9	V562 R566 S583 F584 Q585 L590 F592 F868 Y869 F873	V562-F871 HydrophobicContact CG1-CE2 3.96Å; R566-F871 HydrophobicContact CB-CE2 4.15Å; R566-F871 HydrophobicContact CG-CD2 4.3Å; R566-F871 HydrophobicContact CG-CE2 4.14Å; S583-F871 PolarHBondContact OG-O 2.88Å; F584-F871 VanDerWaalsContact O-CE1 3.23Å; F584-F871 WeakPolarHBondContact O-CE1 3.43Å; Q585-F871 HydrophobicContact CB-CD1 4.28Å; L590-F871 HydrophobicContact CB-CE1 3.85Å; L590-F871 HydrophobicContact CB-CE2 4.46Å; L590-F871 HydrophobicContact CB-CZ 3.78Å; L590-F871 HydrophobicContact CD1-CE2 4.25Å; L590-F871 HydrophobicContact CD1-CZ 4.37Å; L590-F871 HydrophobicContact CD2-CD1 4.08Å; L590-F871 HydrophobicContact CD2-CE1 4.17Å; L590-F871 HydrophobicContact CD2-CG 4.27Å; L590-F871 HydrophobicContact CD2-CZ 4.44Å; L590-F871 HydrophobicContact CG-CZ 4.42Å; F592-F871 HydrophobicContact CD1-CZ 4.36Å; F592-F871 HydrophobicContact CD2-CZ 4.14Å; F592-F871 HydrophobicContact CE1-CE2 4.05Å; F592-F871 AromaticContact CE1-CZ 3.8Å; F592-F871 HydrophobicContact CE1-CZ 3.8Å; F592-F871 HydrophobicContact CE2-CE2 4.1Å; F592-F871 AromaticContact CE2-CZ 3.54Å; F592-F871 HydrophobicContact CE2-CZ 3.54Å; F592-F871 AromaticContact CZ-CE2 3.55Å; F592-F871 HydrophobicContact CZ-CE2 3.55Å; F592-F871 AromaticContact CZ-CZ 3.36Å; F592-F871 HydrophobicContact CZ-CZ 3.36Å; F868-F871 HydrophobicContact CB-CB 4.34Å; F868-F871 WeakPolarHBondContact O-CB 3.47Å; F868-F871 PolarHBondContact O-N 2.93Å; Y869-F871 PolarHBondContact O-N 3.2Å; Y869-F871 VanDerWaalsContact O-N 3.12Å; F871-F873 PolarHBondContact O-N 3.45Å
872	T	85.9	Confident	64.1	Low	87 Å²	87	63.7 Å²	63.7	53%	0.534	33%	0.328	S	S	.	.			trans	-68.8	123	-179.2	-55	0	0	0	0	111.3	S583 E870	S583-T872 CarbonylContact O-C 3.5Å; S583-T872 VanDerWaalsContact O-CA 3.24Å; S583-T872 WeakPolarHBondContact O-CA 3.28Å; E870-T872 PolarHBondContact O-N 2.98Å
873	F	86.3	Confident	63.2	Low	34 Å²	34	60.5 Å²	60.5	15%	0.149	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	147.1	174.8	171.7	-100	0	0	0	110.4	A570 L580 Y582 S583 F871 R875	A570-F873 HydrophobicContact CB-CD1 4.1Å; A570-F873 HydrophobicContact CB-CD2 3.63Å; A570-F873 HydrophobicContact CB-CE1 4.02Å; A570-F873 HydrophobicContact CB-CE2 3.55Å; A570-F873 HydrophobicContact CB-CG 3.91Å; A570-F873 HydrophobicContact CB-CZ 3.75Å; L580-F873 HydrophobicContact CD2-CD1 3.67Å; L580-F873 HydrophobicContact CD2-CE1 4.12Å; L580-F873 HydrophobicContact CD2-CG 4.45Å; L580-F873 HydrophobicContact CG-CD1 3.97Å; L580-F873 HydrophobicContact CG-CE1 4.18Å; L580-F873 WeakPolarHBondContact O-CE1 3.39Å; Y582-F873 CarbonylContact C-O 3.51Å; Y582-F873 VanDerWaalsContact CA-O 3.31Å; Y582-F873 WeakPolarHBondContact CA-O 3.39Å; S583-F873 PolarHBondContact N-O 3.12Å; S583-F873 PolarHBondContact O-N 2.92Å; S583-F873 WeakPolarHBondContact OG-CB 2.96Å; S583-F873 PolarHBondContact OG-N 3.13Å; F871-F873 PolarHBondContact O-N 3.45Å; F873-R875 HydrophobicContact CE1-CB 3.99Å; F873-R875 HydrophobicContact CZ-CB 3.98Å; F873-R875 HydrophobicContact CZ-CG 4.29Å
874	R	84	Confident	62.1	Low	17 Å²	17	60.9 Å²	60.9	6%	0.064	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	122.8	173.4	-173	167.7	-138.8	-65.7	5.2	108.5	Y504 L507 K508 Y581 Y582 D878	Y504-R874 WeakPolarHBondContact CE2-O 3.34Å; Y504-R874 PolarHBondContact OH-O 3.14Å; L507-R874 VanDerWaalsContact CD1-NH2 3.27Å; K508-R874 HydrophobicContact CG-CB 4.32Å; Y581-R874 WeakPolarHBondContact O-CA 3.37Å; Y582-R874 HydrophobicContact CD1-CB 4.34Å; Y582-R874 HydrophobicContact CD1-CG 3.76Å; Y582-R874 HydrophobicContact CE1-CG 3.87Å; R874-D878 IonicContact CZ-OD2 2.8Å; R874-D878 IonicContact NH1-OD1 2.66Å; R874-D878 IonicContact NH1-OD2 3.72Å; R874-D878 PolarHBondContact NH1-OD2 3.26Å
875	R	82.3	Confident	61.1	Low	20 Å²	20	62.8 Å²	62.8	8%	0.075	34%	0.335	C	S	.	.			trans	-71.7	148.9	-178.4	-160.6	172.5	-82.2	-104.4	-1.8	111.2	L569 A572 D573 L580 Y581 F873	L569-R875 PolarHBondContact O-NH2 3.13Å; A572-R875 PolarHBondContact O-NH1 2.79Å; A572-R875 PolarHBondContact O-NH2 2.82Å; D573-R875 IonicContact OD1-NH1 2.8Å; D573-R875 PolarHBondContact OD1-NH1 3Å; L580-R875 PolarHBondContact O-NE 3Å; Y581-R875 PolarHBondContact O-N 3.2Å; F873-R875 HydrophobicContact CE1-CB 3.99Å; F873-R875 HydrophobicContact CZ-CB 3.98Å; F873-R875 HydrophobicContact CZ-CG 4.29Å
876	F	69.8	Low	59.8	Low	37 Å²	37	64.2 Å²	64.2	16%	0.162	35%	0.346	C	S	.	.	S	Bend	trans	-73.9	-38.3	-177.1	-173.2	-96.5	0	0	0	112.8	K500 Y504	K500-F876 HydrophobicContact CB-CZ 4.35Å; Y504-F876 AromaticContact CD1-CD2 3.38Å; Y504-F876 HydrophobicContact CD1-CD2 3.38Å; Y504-F876 AromaticContact CD1-CE2 3.75Å; Y504-F876 HydrophobicContact CD1-CE2 3.75Å; Y504-F876 HydrophobicContact CD2-CB 4.38Å; Y504-F876 AromaticContact CD2-CD2 3.71Å; Y504-F876 HydrophobicContact CD2-CD2 3.71Å; Y504-F876 HydrophobicContact CD2-CE2 4.45Å; Y504-F876 HydrophobicContact CD2-CG 4.4Å; Y504-F876 AromaticContact CE1-CD2 3.61Å; Y504-F876 HydrophobicContact CE1-CD2 3.61Å; Y504-F876 HydrophobicContact CE1-CE2 4.36Å; Y504-F876 VanDerWaalsContact CE2-CA 3.46Å; Y504-F876 HydrophobicContact CE2-CB 4Å; Y504-F876 AromaticContact CE2-CD2 3.99Å; Y504-F876 HydrophobicContact CE2-CD2 3.99Å; Y504-F876 HydrophobicContact CE2-CG 4.46Å; Y504-F876 AromaticContact CG-CD2 3.36Å; Y504-F876 HydrophobicContact CG-CD2 3.36Å; Y504-F876 AromaticContact CG-CE2 3.73Å; Y504-F876 HydrophobicContact CG-CE2 3.73Å; Y504-F876 HydrophobicContact CG-CG 4.43Å; Y504-F876 AromaticContact CZ-CD2 3.87Å
877	F	63.4	Low	57.9	Low	119 Å²	119	69.5 Å²	69.5	52%	0.522	37%	0.374	S	S	.	.			trans	-97.9	93.7	178.5	-62.2	-73.1	0	0	0	109.7	N879	F877-N879 PolarHBondContact O-N 3.37Å
878	D	51.5	Low	55.8	Low	45 Å²	45	71.8 Å²	71.8	24%	0.241	40%	0.398	C	S	.	.			trans	-76.1	98.3	159.7	-70.6	-33.9	0	0	0	105.4	Y582 R874 N880	Y582-D878 PolarHBondContact OH-OD1 2.98Å; R874-D878 IonicContact CZ-OD2 2.8Å; R874-D878 IonicContact NH1-OD1 2.66Å; R874-D878 IonicContact NH1-OD2 3.72Å; R874-D878 PolarHBondContact NH1-OD2 3.26Å; D878-N880 PolarHBondContact O-N 3.03Å
879	N	44.6	Very low	53.2	Low	137 Å²	137	77.7 Å²	77.7	73%	0.733	44%	0.435	S	S	*	.	S	Bend	trans	-61.3	3	170.6	-101.2	13.6	0	0	0	112.9	F877 G881	F877-N879 PolarHBondContact O-N 3.37Å; N879-G881 VanDerWaalsContact C-N 3.26Å; N879-G881 PolarHBondContact O-N 3.41Å
880	N	41.8	Very low	51	Low	66 Å²	66	84.8 Å²	84.8	35%	0.353	46%	0.463	S	S	.	.			trans	-91	61.1	167	-65	12.8	0	0	0	109.8	S541 D878 R882	S541-N880 WeakPolarHBondContact CB-ND2 3.12Å; S541-N880 PolarHBondContact OG-ND2 2.92Å; D878-N880 PolarHBondContact O-N 3.03Å; N880-R882 PolarHBondContact O-N 3.21Å
881	G	36.8	Very low	48.8	Very low	64 Å²	64	87.1 Å²	87.1	66%	0.66	49%	0.485	S	S	*	.			trans	-55	13.2	169.9	0	0	0	0	0	115.6	N879 C883	N879-G881 VanDerWaalsContact C-N 3.26Å; N879-G881 PolarHBondContact O-N 3.41Å; G881-C883 PolarHBondContact O-N 3.25Å; G881-C883 VanDerWaalsContact O-N 3.15Å
882	R	34.6	Very low	46.2	Very low	221 Å²	221	91.5 Å²	91.5	83%	0.834	52%	0.522	S	S	*	.	S	Bend	trans	-81.5	92.1	166.5	-66.7	-171.5	-177.7	-113.8	0.9	109.3	N880	N880-R882 PolarHBondContact O-N 3.21Å
883	C	30.5	Very low	43.5	Very low	74 Å²	74	93.7 Å²	93.7	50%	0.5	53%	0.53	S	S	.	.			trans	64.1	100.6	158.2	-61.3	0	0	0	0	116.2	G881 P885	G881-C883 PolarHBondContact O-N 3.25Å; G881-C883 VanDerWaalsContact O-N 3.15Å; C883-P885 VanDerWaalsContact O-CD 3.29Å; C883-P885 WeakPolarHBondContact O-CD 3.17Å
884	C	28	Very low	41.2	Very low	71 Å²	71	97 Å²	97	48%	0.48	56%	0.555	S	S	.	*			trans	-62.8	117.7	133	-166.8	0	0	0	0	105.9	T886 L887	C884-T886 PolarHBondContact O-N 3.43Å; C884-T886 PolarHBondContact SG-OG1 2.93Å; C884-L887 PolarHBondContact O-N 3.22Å
885	P	32.5	Very low	38.6	Very low	101 Å²	101	104.6 Å²	104.6	66%	0.656	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-5	-175.4	-22.6	32.5	0	0	0	114.4	C883 L887	C883-P885 VanDerWaalsContact O-CD 3.29Å; C883-P885 WeakPolarHBondContact O-CD 3.17Å; P885-L887 VanDerWaalsContact C-N 3.32Å
886	T	30.1	Very low	36	Very low	83 Å²	83	114.4 Å²	114.4	51%	0.509	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.4	-3.9	175.3	59.3	0	0	0	0	114.2	C884	C884-T886 PolarHBondContact O-N 3.43Å; C884-T886 PolarHBondContact SG-OG1 2.93Å
887	L	27.7	Very low	34.1	Very low	142 Å²	142	121.9 Å²	121.9	74%	0.743	66%	0.663	S	S	*	*	S	Bend	trans	-121	105.8	166.5	-71.4	168.6	0	0	0	107.4	C884 P885	C884-L887 PolarHBondContact O-N 3.22Å; P885-L887 VanDerWaalsContact C-N 3.32Å
888	G	25.8	Very low	32.4	Very low	58 Å²	58	127.8 Å²	127.8	60%	0.598	70%	0.698	S	S	*	*			trans	-59.9	146.4	-156.7	0	0	0	0	0	115.2	Y890	G888-Y890 PolarHBondContact O-N 3.17Å
889	T	25.5	Very low	31.5	Very low	124 Å²	124	132 Å²	132	76%	0.761	72%	0.721	S	S	*	*			trans	-50.4	94.1	156.3	48.7	0	0	0	0	110.3	S891	T889-S891 VanDerWaalsContact C-N 3.32Å; T889-S891 PolarHBondContact O-N 3.43Å
890	Y	29	Very low	30.8	Very low	225 Å²	225	131.7 Å²	131.7	88%	0.882	72%	0.721	S	S	*	*			trans	-83.7	94.4	146	-84	-82.6	0	0	0	106.1	G888 A892	G888-Y890 PolarHBondContact O-N 3.17Å; Y890-A892 PolarHBondContact O-N 3.39Å
891	S	30.3	Very low	30.2	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	74%	0.741	S	S	*	*			trans	-49.2	100.7	169	165.3	0	0	0	0	109.2	T889 N893	T889-S891 VanDerWaalsContact C-N 3.32Å; T889-S891 PolarHBondContact O-N 3.43Å; S891-N893 VanDerWaalsContact C-N 3.33Å; S891-N893 PolarHBondContact O-N 3.46Å
892	A	30.2	Very low	29.8	Very low	93 Å²	93	139.5 Å²	139.5	77%	0.769	75%	0.746	S	S	*	*			trans	-68.9	91.7	169.5	0	0	0	0	0	108.1	Y890 P894	Y890-A892 PolarHBondContact O-N 3.39Å; A892-P894 WeakPolarHBondContact O-CD 3.25Å
893	N	28.9	Very low	29.5	Very low	133 Å²	133	134.4 Å²	134.4	71%	0.711	74%	0.741	S	S	*	*			trans	-95.3	102.8	169.1	-148.2	-6.2	0	0	0	107.2	S891 H895	S891-N893 VanDerWaalsContact C-N 3.33Å; S891-N893 PolarHBondContact O-N 3.46Å; N893-H895 PolarHBondContact O-N 3.49Å; N893-H895 VanDerWaalsContact O-N 3.1Å
894	P	38.4	Very low	29.4	Very low	103 Å²	103	138.5 Å²	138.5	67%	0.669	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	10.5	-163.9	-12.9	29.9	0	0	0	115.7	A892	A892-P894 WeakPolarHBondContact O-CD 3.25Å
895	H	28.3	Very low	29.5	Very low	176 Å²	176	143.3 Å²	143.3	82%	0.815	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	23.6	-168.6	-74.6	-62.5	0	0	0	116.3	N893	N893-H895 PolarHBondContact O-N 3.49Å; N893-H895 VanDerWaalsContact O-N 3.1Å
896	R	28.1	Very low	29.3	Very low	226 Å²	226	146.5 Å²	146.5	85%	0.853	79%	0.786	S	S	*	*			trans	-131.1	63.4	163.3	-89.8	-168.4	175.3	-174.6	-0.2	111.7
897	H	29.6	Very low	29.2	Very low	194 Å²	194	151.8 Å²	151.8	90%	0.898	81%	0.809	S	S	*	*			trans	-146.5	66.3	160.7	-77.5	-57.5	0	0	0	110
898	L	28.9	Very low	29.4	Very low	244 Å²	244	152.7 Å²	152.7	100%	1.277	82%	0.815	S	S	*	*			trans	-130.5	0	138.8	-86.5	166.3	0	0	0	104.9

Retrieved 898 of 898 residues in 536.9 ms (Link to these results)

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