A0A077Z3C7_TRITR Loading...

Aspartyl:asparaginyl beta hydroxylase

AlphaFold DB , UniProt , Accession A0A077Z3C7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 812 aa.

						>A0A077Z3C7_TRITR|A0A077Z3C7
MASRPARADYSVTDGGWKYFFCVMIFLGIVTSFLTMLSSNRKSSFDATSVDEPLREGLDNALPKEEKTAEDEEAMRLRQLSQRAKLKENNNDNSDRKHQDDSVQGTDEADKEPPTTSATWSSEADMTKSSIVDRATDKTASTTEHVTVRTIRKKGVELPTEQEQSSFDDKPPTEEMEGGKQPSKQHKPTQQLRKIDQRTIRTFKTKNGQSVNGPQSFDRRAPSSLQQSPLKVRVIRTKGKRVEQVDVPVETPPSVTPDKVDERREFLDISQTGHKVLTVRYVRIKPGAESVVDQAELPLAAGGAQDHSSQQVLSIRYRRIKAKDHKSQKFEEWKVLIPKVSLNSAGMGSALAKNDALTMKITVLPEKVDALEERTVQLPSLKHSVTNQLDFRIRGRLELADRLLSERRLEESLHEFESILRGYPTSPRSRYGKAVSLDLLSDSNQSNDILERAIYAYEAVINLPNVPDELLKMAVHRLVERCRFRGWFDKAIKAQVRLLEKHPKDTSLLNDFAITLLMMNRYDDAKRVFLSVLDKESTNAEALLYYGYILKTVDEEHEKAIHFMARGLALGVQIKRAARFVVHLGDALYRLNRTEEAYELYDEASRHGIFLNRYQRSMYNVGELTAKPWWIMSQTNCNQQLKKFERDWRLIREESLRVWNAKSSAFERVEPYVEAGDQKQMTLFFPSGAMHEKNCALVPKICEIIASISVPESGCRTAEARLVATYAGTETWPHCAFTNCYLTAILGVAVPHGSWLRVHNETRPLILGRLLLFDPSFEHRTYAGGNGWQLVLTLDLWHPELTEEQQQSLNVT
					

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(Predicted Aligned Error values between residue pairs)

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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	30.5	Very low	240 Å²	240	156.9 Å²	156.9	100%	1.182	85%	0.854	S	S	*	*				0	98.1	0	-65.9	154.1	179.1	0	0	105.4
2	A	33.9	Very low	30.3	Very low	102 Å²	102	156.3 Å²	156.3	84%	0.843	86%	0.858	S	S	*	*				81.8	120.6	87.5	0	0	0	0	0	110.7
3	S	33.4	Very low	30.3	Very low	115 Å²	115	153.5 Å²	153.5	80%	0.804	85%	0.849	S	S	*	*			cis	-149.9	158.5	3.9	44.2	0	0	0	0	112.6
4	R	35.2	Very low	30.5	Very low	239 Å²	239	152 Å²	152	90%	0.902	84%	0.839	S	S	*	*			trans	-68.7	162.6	167	-71.4	-180	168.6	176.1	-5.2	110.4
5	P	38.6	Very low	30.8	Very low	125 Å²	125	145.5 Å²	145.5	81%	0.812	82%	0.82	S	S	*	*				-148.3	-169.4	103.2	41.4	-26.5	0	0	0	115.2
6	A	29.4	Very low	31.3	Very low	101 Å²	101	139.6 Å²	139.6	84%	0.835	80%	0.802	S	S	*	*			trans	93.6	139.9	160.3	0	0	0	0	0	119.4
7	R	24.5	Very low	31.8	Very low	236 Å²	236	142.9 Å²	142.9	89%	0.891	80%	0.799	S	S	*	*			trans	-83.2	165.7	-179.9	-66.9	170.5	166.3	137.3	-7.2	111.1
8	A	29.6	Very low	32.4	Very low	93 Å²	93	144.4 Å²	144.4	77%	0.769	80%	0.795	S	S	*	*			trans	-125.3	142.3	150.9	0	0	0	0	0	108.3
9	D	26.6	Very low	33	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	79%	0.791	S	S	*	*			trans	-86.4	141.3	-171.7	-54.9	-71.6	0	0	0	112.7	S11	D9-S11 PolarHBondContact O-N 3.07Å
10	Y	25.5	Very low	34.1	Very low	237 Å²	237	145.7 Å²	145.7	93%	0.929	78%	0.78	S	S	*	*			trans	-81.4	96.7	167.8	-92	-86.4	0	0	0	109.9
11	S	27.7	Very low	35.1	Very low	94 Å²	94	145.1 Å²	145.1	66%	0.657	77%	0.771	S	S	*	*			trans	-85	149.4	173.2	56.8	0	0	0	0	112	D9 T13	D9-S11 PolarHBondContact O-N 3.07Å; S11-T13 PolarHBondContact O-N 3.1Å
12	V	27.4	Very low	36.4	Very low	149 Å²	149	137.8 Å²	137.8	90%	0.903	74%	0.743	S	S	*	*	S	Bend	trans	-87.1	65.7	-167.3	-170.8	0	0	0	0	111.8
13	T	30.4	Very low	38.2	Very low	121 Å²	121	136.5 Å²	136.5	74%	0.742	72%	0.724	S	S	*	*			trans	-145	52.8	179	57.5	0	0	0	0	115.3	S11	S11-T13 PolarHBondContact O-N 3.1Å
14	D	32.8	Very low	40	Very low	132 Å²	132	135.9 Å²	135.9	71%	0.706	71%	0.71	S	S	*	*	S	Bend	trans	-144.7	10.9	167.1	-143	4	0	0	0	116.3
15	G	35	Very low	41.9	Very low	54 Å²	54	129.3 Å²	129.3	56%	0.557	69%	0.692	S	S	*	*	S	Bend	trans	-75.7	-21.5	173.3	0	0	0	0	0	114.4	Y19	G15-Y19 PolarHBondContact O-N 3Å
16	G	39.4	Very low	43.6	Very low	52 Å²	52	130.5 Å²	130.5	54%	0.536	68%	0.684	S	S	.	*	H	α-helix	trans	-67.3	-44.1	-166.7	0	0	0	0	0	114.8	K18 Y19 F20	G16-K18 PolarHBondContact O-N 3.46Å; G16-Y19 PolarHBondContact O-N 3.35Å; G16-F20 WeakPolarHBondContact O-CB 3.23Å; G16-F20 PolarHBondContact O-N 2.99Å
17	W	39.5	Very low	45.6	Very low	195 Å²	195	130 Å²	130	74%	0.739	67%	0.667	S	S	*	*	H	α-helix	trans	-70.6	-34	-172.7	-77.9	80.4	0	0	0	113.4	F20 F21	W17-F20 PolarHBondContact O-N 3.22Å; W17-F21 PolarHBondContact O-N 3Å; W17-F21 VanDerWaalsContact O-N 3.12Å
18	K	42.2	Very low	47.8	Very low	170 Å²	170	120.7 Å²	120.7	74%	0.739	64%	0.644	S	S	*	*	H	α-helix	trans	-68.9	-41.3	173.9	-69.9	179.5	-179.3	172.7	0	111.5	G16 F21 C22	G16-K18 PolarHBondContact O-N 3.46Å; K18-F21 PolarHBondContact O-N 3.13Å; K18-C22 PolarHBondContact O-N 2.7Å; K18-C22 VanDerWaalsContact O-N 3.14Å; K18-C22 PolarHBondContact O-SG 3.17Å; K18-C22 VanDerWaalsContact O-SG 3.4Å
19	Y	44.4	Very low	50	Low	181 Å²	181	121 Å²	121	71%	0.71	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-42.4	173.5	-111.8	-86.5	0	0	0	112.2	G15 G16 F21 C22 V23	G15-Y19 PolarHBondContact O-N 3Å; G16-Y19 PolarHBondContact O-N 3.35Å; Y19-F21 PolarHBondContact O-N 2.76Å; Y19-C22 PolarHBondContact O-N 3.2Å; Y19-V23 WeakPolarHBondContact O-CB 3.32Å; Y19-V23 WeakPolarHBondContact O-CG2 3.4Å; Y19-V23 PolarHBondContact O-N 3.43Å
20	F	55.4	Low	52.3	Low	133 Å²	133	116.9 Å²	116.9	58%	0.583	61%	0.612	S	S	*	*	H	α-helix	trans	-60.2	-45.3	178.1	-166.8	-97.4	0	0	0	112.2	G16 W17 V23 M24	G16-F20 WeakPolarHBondContact O-CB 3.23Å; G16-F20 PolarHBondContact O-N 2.99Å; W17-F20 PolarHBondContact O-N 3.22Å; F20-V23 PolarHBondContact O-N 3Å; F20-M24 HydrophobicContact CD1-CG 4.07Å; F20-M24 HydrophobicContact CE1-CG 3.82Å; F20-M24 HydrophobicContact CE1-SD 4.45Å; F20-M24 HydrophobicContact CZ-CG 4.22Å; F20-M24 HydrophobicContact CZ-SD 4.35Å; F20-M24 WeakPolarHBondContact O-CB 3.33Å; F20-M24 VanDerWaalsContact O-CG 3.29Å; F20-M24 WeakPolarHBondContact O-CG 3.25Å; F20-M24 PolarHBondContact O-N 3.45Å
21	F	54.9	Low	54.4	Low	135 Å²	135	109.2 Å²	109.2	59%	0.592	59%	0.59	S	S	*	*	H	α-helix	trans	-63.7	-43.5	176.3	-106.9	-83.5	0	0	0	113	W17 K18 Y19 V23 M24 I25	W17-F21 PolarHBondContact O-N 3Å; W17-F21 VanDerWaalsContact O-N 3.12Å; K18-F21 PolarHBondContact O-N 3.13Å; Y19-F21 PolarHBondContact O-N 2.76Å; F21-V23 PolarHBondContact O-N 2.82Å; F21-M24 PolarHBondContact O-N 3.48Å; F21-I25 VanDerWaalsContact O-CG1 3.32Å; F21-I25 WeakPolarHBondContact O-CG1 3.32Å; F21-I25 PolarHBondContact O-N 3.45Å
22	C	58.6	Low	56.1	Low	86 Å²	86	108.2 Å²	108.2	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-61.5	-42.3	176	-70.4	0	0	0	0	112.2	K18 Y19 I25 F26	K18-C22 PolarHBondContact O-N 2.7Å; K18-C22 VanDerWaalsContact O-N 3.14Å; K18-C22 PolarHBondContact O-SG 3.17Å; K18-C22 VanDerWaalsContact O-SG 3.4Å; Y19-C22 PolarHBondContact O-N 3.2Å; C22-I25 PolarHBondContact O-N 2.96Å; C22-F26 WeakPolarHBondContact O-CB 3.37Å; C22-F26 PolarHBondContact O-N 2.65Å
23	V	71.9	Confident	57.7	Low	74 Å²	74	107.8 Å²	107.8	45%	0.448	57%	0.569	S	S	.	*	H	α-helix	trans	-64.7	-42.3	176.8	168.4	0	0	0	0	111.6	Y19 F20 F21 F26 L27	Y19-V23 WeakPolarHBondContact O-CB 3.32Å; Y19-V23 WeakPolarHBondContact O-CG2 3.4Å; Y19-V23 PolarHBondContact O-N 3.43Å; F20-V23 PolarHBondContact O-N 3Å; F21-V23 PolarHBondContact O-N 2.82Å; V23-F26 PolarHBondContact O-N 3.28Å; V23-L27 HydrophobicContact CG1-CD1 3.93Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 PolarHBondContact O-N 3.36Å
24	M	70.7	Confident	58.7	Low	103 Å²	103	107.4 Å²	107.4	51%	0.507	56%	0.562	S	S	.	*	H	α-helix	trans	-66.1	-38.8	177.4	-71.6	-64.7	-72.1	0	0	112.7	F20 F21 G28	F20-M24 HydrophobicContact CD1-CG 4.07Å; F20-M24 HydrophobicContact CE1-CG 3.82Å; F20-M24 HydrophobicContact CE1-SD 4.45Å; F20-M24 HydrophobicContact CZ-CG 4.22Å; F20-M24 HydrophobicContact CZ-SD 4.35Å; F20-M24 WeakPolarHBondContact O-CB 3.33Å; F20-M24 VanDerWaalsContact O-CG 3.29Å; F20-M24 WeakPolarHBondContact O-CG 3.25Å; F20-M24 PolarHBondContact O-N 3.45Å; F21-M24 PolarHBondContact O-N 3.48Å; M24-G28 PolarHBondContact O-N 3.25Å
25	I	75.7	Confident	59.7	Low	101 Å²	101	105.9 Å²	105.9	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-64.7	-43	173.8	-69.1	165.8	0	0	0	110.5	F21 C22 G28 I29	F21-I25 VanDerWaalsContact O-CG1 3.32Å; F21-I25 WeakPolarHBondContact O-CG1 3.32Å; F21-I25 PolarHBondContact O-N 3.45Å; C22-I25 PolarHBondContact O-N 2.96Å; I25-G28 PolarHBondContact O-N 3.06Å; I25-I29 HydrophobicContact CG2-CD1 3.98Å; I25-I29 WeakPolarHBondContact O-CG1 3.49Å; I25-I29 PolarHBondContact O-N 3.31Å
26	F	73.5	Confident	60.3	Low	149 Å²	149	110.7 Å²	110.7	65%	0.654	57%	0.567	S	S	*	*	H	α-helix	trans	-65.5	-41.1	178.6	-154.2	-91.3	0	0	0	112.1	C22 V23 I29 V30	C22-F26 WeakPolarHBondContact O-CB 3.37Å; C22-F26 PolarHBondContact O-N 2.65Å; V23-F26 PolarHBondContact O-N 3.28Å; F26-I29 PolarHBondContact O-N 2.9Å; F26-V30 HydrophobicContact CD1-CG2 3.89Å; F26-V30 HydrophobicContact CE1-CG2 3.84Å; F26-V30 WeakPolarHBondContact O-CB 3.36Å; F26-V30 VanDerWaalsContact O-CG2 3.31Å; F26-V30 WeakPolarHBondContact O-CG2 3.34Å; F26-V30 PolarHBondContact O-N 2.8Å
27	L	70.8	Confident	60.4	Low	92 Å²	92	114.6 Å²	114.6	48%	0.482	58%	0.575	S	S	.	*	H	α-helix	trans	-61.7	-39.8	171.4	-90.7	155.6	0	0	0	112.4	V23 V30 T31	V23-L27 HydrophobicContact CG1-CD1 3.93Å; V23-L27 WeakPolarHBondContact O-CB 3.28Å; V23-L27 PolarHBondContact O-N 3.36Å; L27-V30 PolarHBondContact O-N 3.2Å; L27-T31 WeakPolarHBondContact O-CB 3.35Å; L27-T31 WeakPolarHBondContact O-CG2 3.32Å; L27-T31 PolarHBondContact O-N 3.21Å; L27-T31 PolarHBondContact O-OG1 3.5Å
28	G	71.9	Confident	60.2	Low	39 Å²	39	110.3 Å²	110.3	40%	0.402	58%	0.575	S	S	.	*	H	α-helix	trans	-62.1	-41.7	174.3	0	0	0	0	0	113.2	M24 I25 T31 S32	M24-G28 PolarHBondContact O-N 3.25Å; I25-G28 PolarHBondContact O-N 3.06Å; G28-T31 PolarHBondContact O-OG1 2.99Å; G28-S32 WeakPolarHBondContact O-CB 3.29Å; G28-S32 PolarHBondContact O-N 2.91Å; G28-S32 VanDerWaalsContact O-N 3.11Å
29	I	75.7	Confident	59.8	Low	99 Å²	99	107.6 Å²	107.6	51%	0.508	58%	0.578	S	S	.	*	H	α-helix	trans	-68.8	-45.6	177.3	-66.8	166.2	0	0	0	110.8	I25 F26 S32 F33	I25-I29 HydrophobicContact CG2-CD1 3.98Å; I25-I29 WeakPolarHBondContact O-CG1 3.49Å; I25-I29 PolarHBondContact O-N 3.31Å; F26-I29 PolarHBondContact O-N 2.9Å; I29-S32 PolarHBondContact O-N 3.18Å; I29-F33 PolarHBondContact O-N 3.32Å
30	V	75.4	Confident	59.1	Low	59 Å²	59	105.5 Å²	105.5	36%	0.358	58%	0.578	S	S	.	*	H	α-helix	trans	-65.6	-40.6	179.9	170.3	0	0	0	0	111.9	F26 L27 F33 L34	F26-V30 HydrophobicContact CD1-CG2 3.89Å; F26-V30 HydrophobicContact CE1-CG2 3.84Å; F26-V30 WeakPolarHBondContact O-CB 3.36Å; F26-V30 VanDerWaalsContact O-CG2 3.31Å; F26-V30 WeakPolarHBondContact O-CG2 3.34Å; F26-V30 PolarHBondContact O-N 2.8Å; L27-V30 PolarHBondContact O-N 3.2Å; V30-F33 PolarHBondContact O-N 3.39Å; V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 3.05Å
31	T	68.3	Low	57.9	Low	76 Å²	76	109.4 Å²	109.4	47%	0.466	59%	0.59	S	S	.	*	H	α-helix	trans	-67.3	-38.4	176.1	48.9	0	0	0	0	112.3	L27 G28 F33 L34 T35	L27-T31 WeakPolarHBondContact O-CB 3.35Å; L27-T31 WeakPolarHBondContact O-CG2 3.32Å; L27-T31 PolarHBondContact O-N 3.21Å; L27-T31 PolarHBondContact O-OG1 3.5Å; G28-T31 PolarHBondContact O-OG1 2.99Å; T31-F33 PolarHBondContact O-N 3.47Å; T31-L34 PolarHBondContact O-N 3.41Å; T31-T35 PolarHBondContact O-N 2.85Å; T31-T35 PolarHBondContact O-OG1 3.38Å
32	S	65.2	Low	56.7	Low	73 Å²	73	112.8 Å²	112.8	51%	0.51	60%	0.604	S	S	.	*	H	α-helix	trans	-64.4	-36.3	173.9	-167.2	0	0	0	0	113	G28 I29 T35 M36	G28-S32 WeakPolarHBondContact O-CB 3.29Å; G28-S32 PolarHBondContact O-N 2.91Å; G28-S32 VanDerWaalsContact O-N 3.11Å; I29-S32 PolarHBondContact O-N 3.18Å; S32-T35 PolarHBondContact O-OG1 3Å; S32-T35 VanDerWaalsContact O-OG1 3.06Å; S32-M36 PolarHBondContact O-N 2.04Å
33	F	61	Low	55.4	Low	140 Å²	140	114.3 Å²	114.3	61%	0.614	62%	0.616	S	S	*	*	H	α-helix	trans	-70.1	-36.1	173.4	-116.9	-89.8	0	0	0	113	I29 V30 T31 L37	I29-F33 PolarHBondContact O-N 3.32Å; V30-F33 PolarHBondContact O-N 3.39Å; T31-F33 PolarHBondContact O-N 3.47Å; F33-L37 HydrophobicContact CD1-CD1 4.23Å; F33-L37 WeakPolarHBondContact O-CG 3.28Å; F33-L37 PolarHBondContact O-N 3.12Å
34	L	50.9	Low	53.1	Low	112 Å²	112	115.9 Å²	115.9	59%	0.586	63%	0.63	S	S	*	*	H	α-helix	trans	-72.1	-33.8	178.5	-75.8	167.5	0	0	0	113	V30 T31	V30-L34 HydrophobicContact CG1-CD1 3.92Å; V30-L34 WeakPolarHBondContact O-CG 3.48Å; V30-L34 PolarHBondContact O-N 3.05Å; T31-L34 PolarHBondContact O-N 3.41Å
35	T	54	Low	51.1	Low	101 Å²	101	120.4 Å²	120.4	62%	0.62	65%	0.647	S	S	*	*	H	α-helix	trans	-70.4	-38.9	173	52.8	0	0	0	0	111.9	T31 S32 L37 S38	T31-T35 PolarHBondContact O-N 2.85Å; T31-T35 PolarHBondContact O-OG1 3.38Å; S32-T35 PolarHBondContact O-OG1 3Å; S32-T35 VanDerWaalsContact O-OG1 3.06Å; T35-L37 VanDerWaalsContact C-N 3.29Å; T35-L37 PolarHBondContact O-N 3.09Å; T35-S38 PolarHBondContact O-N 3.21Å
36	M	47.6	Very low	48.9	Very low	155 Å²	155	122.6 Å²	122.6	76%	0.764	66%	0.66	S	S	*	*	H	α-helix	trans	-61.7	-31.3	174	-90.7	-72.8	167.8	0	0	113.9	S32	S32-M36 PolarHBondContact O-N 2.04Å
37	L	40.4	Very low	46.5	Very low	133 Å²	133	119.4 Å²	119.4	70%	0.696	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	2.2	-179.7	-71.1	169.7	0	0	0	114.5	F33 T35	F33-L37 HydrophobicContact CD1-CD1 4.23Å; F33-L37 WeakPolarHBondContact O-CG 3.28Å; F33-L37 PolarHBondContact O-N 3.12Å; T35-L37 VanDerWaalsContact C-N 3.29Å; T35-L37 PolarHBondContact O-N 3.09Å
38	S	34.8	Very low	44.5	Very low	106 Å²	106	121.5 Å²	121.5	74%	0.741	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.5	17.3	-175.2	-155.9	0	0	0	0	114.9	T35	T35-S38 PolarHBondContact O-N 3.21Å
39	S	34.1	Very low	42.3	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	69%	0.694	S	S	*	*			trans	-126.1	106.3	171.2	-168.5	0	0	0	0	111.1
40	N	30.4	Very low	40.1	Very low	136 Å²	136	125.9 Å²	125.9	73%	0.727	71%	0.705	S	S	*	*			trans	-154	102.4	-176.2	-175.6	-5.4	0	0	0	111.6
41	R	30.4	Very low	37.9	Very low	216 Å²	216	130.6 Å²	130.6	82%	0.815	73%	0.729	S	S	*	*			trans	160.5	139.9	134.9	-89.4	161.6	-178.6	-156.9	-2.7	113.7
42	K	29.2	Very low	35.8	Very low	206 Å²	206	135.7 Å²	135.7	90%	0.896	75%	0.747	S	S	*	*			trans	70.7	145.7	169.9	-56.9	168.4	-177.9	-179.1	0	114.1
43	S	30.7	Very low	34.4	Very low	118 Å²	118	137.2 Å²	137.2	83%	0.825	76%	0.755	S	S	*	*			cis	-140.2	169.1	1.9	48.3	0	0	0	0	112.3
44	S	24.8	Very low	32.6	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	77%	0.767	S	S	*	*			trans	-75.8	144.6	179.2	50	0	0	0	0	114.7
45	F	29.4	Very low	31.4	Very low	197 Å²	197	144.1 Å²	144.1	86%	0.864	78%	0.781	S	S	*	*				-159.4	173.7	129.2	-133.6	-98.3	0	0	0	112.1
46	D	27.6	Very low	30.1	Very low	147 Å²	147	149.1 Å²	149.1	79%	0.786	80%	0.798	S	S	*	*			trans	-87.3	169.7	-160.7	-80.9	-63.7	0	0	0	118.2
47	A	24.6	Very low	28.9	Very low	83 Å²	83	145.3 Å²	145.3	69%	0.686	80%	0.797	S	S	*	*			trans	-61	158.6	-170.3	0	0	0	0	0	118.2
48	T	29.3	Very low	28.2	Very low	135 Å²	135	146.6 Å²	146.6	83%	0.828	80%	0.804	S	S	*	*				-168	141.4	107.7	17.4	0	0	0	0	114
49	S	25.5	Very low	27.8	Very low	106 Å²	106	148.9 Å²	148.9	74%	0.741	81%	0.808	S	S	*	*			trans	27.4	129.4	157.1	59.2	0	0	0	0	122.5
50	V	29.5	Very low	27.4	Very low	124 Å²	124	149.9 Å²	149.9	75%	0.752	81%	0.805	S	S	*	*				-169.5	129.4	102.6	147.9	0	0	0	0	110.7
51	D	28.1	Very low	27.2	Very low	159 Å²	159	148.1 Å²	148.1	85%	0.85	81%	0.809	S	S	*	*			trans	55.3	165.1	161.2	-59.7	-9.8	0	0	0	123
52	E	25.3	Very low	26.8	Very low	182 Å²	182	145.4 Å²	145.4	85%	0.85	81%	0.81	S	S	*	*			trans	-156.3	165.3	-152.1	171.6	-179.4	-163.1	0	0	109
53	P	34.6	Very low	26.6	Very low	105 Å²	105	141.2 Å²	141.2	68%	0.682	80%	0.804	S	S	*	*			cis	-120.9	175.7	-22.2	33.5	-18.5	0	0	0	113.2
54	L	24.2	Very low	26.4	Very low	164 Å²	164	144.8 Å²	144.8	86%	0.859	81%	0.805	S	S	*	*			trans	-167.5	142.2	138.1	-110.7	165.3	0	0	0	113.1
55	R	25	Very low	26.6	Very low	233 Å²	233	147 Å²	147	88%	0.879	80%	0.803	S	S	*	*			trans	55.4	98.5	168.6	-75.2	177.4	161.9	160.7	-6.1	118.2
56	E	26.4	Very low	26.5	Very low	207 Å²	207	146 Å²	146	97%	0.967	80%	0.801	S	S	*	*				-122.6	140.3	114.6	-83.7	-162.6	147.5	0	0	108.8
57	G	23.6	Very low	26.7	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	78%	0.778	S	S	*	*			trans	166.9	59.1	-169.1	0	0	0	0	0	112.1
58	L	25.4	Very low	27.4	Very low	161 Å²	161	141.1 Å²	141.1	84%	0.843	76%	0.762	S	S	*	*			trans	-157.3	44.7	177.3	-123.4	164.6	0	0	0	111.6	N60	L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3.33Å
59	D	25.7	Very low	27.7	Very low	154 Å²	154	138.3 Å²	138.3	82%	0.824	75%	0.753	S	S	*	*			trans	-76.9	83	176.6	-133.6	-20	0	0	0	110.6
60	N	26.3	Very low	28.4	Very low	133 Å²	133	135.3 Å²	135.3	71%	0.711	73%	0.727	S	S	*	*			trans	43.4	78	152.9	-59.2	-75	0	0	0	116.3	L58 L62	L58-N60 VanDerWaalsContact C-N 3.28Å; L58-N60 PolarHBondContact O-N 3.33Å; N60-L62 PolarHBondContact O-N 3.02Å; N60-L62 VanDerWaalsContact O-N 3.12Å
61	A	25.2	Very low	29	Very low	100 Å²	100	131.2 Å²	131.2	83%	0.826	70%	0.701	S	S	*	*			trans	-60.7	114	156.8	0	0	0	0	0	109.1
62	L	23.4	Very low	29.7	Very low	159 Å²	159	127.7 Å²	127.7	83%	0.832	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-56.8	134.3	160.2	-75.8	164	0	0	0	107.8	N60 K64	N60-L62 PolarHBondContact O-N 3.02Å; N60-L62 VanDerWaalsContact O-N 3.12Å; L62-K64 PolarHBondContact O-N 2.84Å
63	P	25	Very low	30.4	Very low	118 Å²	118	121.8 Å²	121.8	77%	0.766	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-61.5	116.6	168.4	27	-32.1	0	0	0	107.3
64	K	26	Very low	30.8	Very low	193 Å²	193	117 Å²	117	84%	0.839	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-61.7	137.3	158.8	-69.5	-176.8	176.1	-176.5	0	106.2	L62 E66	L62-K64 PolarHBondContact O-N 2.84Å; K64-E66 PolarHBondContact O-N 2.88Å
65	E	28.3	Very low	31.8	Very low	152 Å²	152	111.4 Å²	111.4	71%	0.71	59%	0.591	S	S	*	*			trans	-62.3	102.8	176.9	-67.4	-180	148.4	0	0	108.7	K67	E65-K67 VanDerWaalsContact C-N 3.25Å; E65-K67 PolarHBondContact O-N 3.25Å
66	E	28	Very low	32.9	Very low	176 Å²	176	104.9 Å²	104.9	82%	0.822	57%	0.566	S	S	*	*			trans	-76.1	82	-177.3	-165	159.4	-126.5	0	0	107.9	K64	K64-E66 PolarHBondContact O-N 2.88Å
67	K	32.4	Very low	33.5	Very low	72 Å²	72	95.8 Å²	95.8	31%	0.313	52%	0.524	S	S	.	.			trans	-57.3	140.4	163.4	-58.8	-178.8	-155.9	155.6	0	107.6	E65 A69 E72	E65-K67 VanDerWaalsContact C-N 3.25Å; E65-K67 PolarHBondContact O-N 3.25Å; K67-A69 PolarHBondContact O-N 3.49Å; K67-E72 HydrophobicContact CB-CG 3.98Å; K67-E72 HydrophobicContact CD-CG 3.7Å; K67-E72 WeakPolarHBondContact CD-OE1 3.3Å; K67-E72 IonicContact NZ-OE1 4Å; K67-E72 PolarHBondContact NZ-OE1 2.91Å
68	T	37.8	Very low	34.6	Very low	57 Å²	57	96 Å²	96	35%	0.35	50%	0.502	S	S	.	.			trans	-58.2	142.8	171.2	71.9	0	0	0	0	108.8	E70 D71 E72	T68-E70 PolarHBondContact O-N 3.21Å; T68-D71 PolarHBondContact O-N 2.89Å; T68-D71 WeakPolarHBondContact OG1-CB 3.34Å; T68-D71 PolarHBondContact OG1-N 3.43Å; T68-D71 PolarHBondContact OG1-OD2 2.98Å; T68-E72 PolarHBondContact O-N 3.42Å
69	A	35.5	Very low	35.6	Very low	76 Å²	76	89.8 Å²	89.8	63%	0.628	47%	0.469	S	S	*	.	H	α-helix	trans	-56.8	-35.4	175.2	0	0	0	0	0	110.7	K67 D71 E72 E73	K67-A69 PolarHBondContact O-N 3.49Å; A69-D71 PolarHBondContact O-N 2.97Å; A69-E72 PolarHBondContact O-N 3.29Å; A69-E73 VanDerWaalsContact O-CB 3.29Å; A69-E73 WeakPolarHBondContact O-CB 3.49Å; A69-E73 PolarHBondContact O-N 2.95Å
70	E	40.2	Very low	36.3	Very low	43 Å²	43	83 Å²	83	20%	0.201	43%	0.432	C	S	.	.	H	α-helix	trans	-58.3	-40.9	173.3	-59.9	-178.3	-136.3	0	0	113.4	T68 A74 P671 Y672 F737	T68-E70 PolarHBondContact O-N 3.21Å; E70-A74 WeakPolarHBondContact O-CB 3.33Å; E70-A74 PolarHBondContact O-N 3.48Å; E70-P671 WeakPolarHBondContact OE1-CB 3.38Å; E70-P671 VanDerWaalsContact OE1-CG 3.28Å; E70-P671 WeakPolarHBondContact OE1-CG 3.46Å; E70-Y672 VanDerWaalsContact CD-OH 3.23Å; E70-Y672 PolarHBondContact OE1-OH 3.26Å; E70-F737 HydrophobicContact CB-CE2 3.97Å; E70-F737 HydrophobicContact CB-CZ 3.84Å; E70-F737 HydrophobicContact CG-CE2 3.94Å; E70-F737 HydrophobicContact CG-CZ 3.83Å
71	D	43.4	Very low	36.9	Very low	37 Å²	37	78.6 Å²	78.6	20%	0.198	41%	0.412	C	S	.	.	H	α-helix	trans	-75.3	-33.2	178.6	-81.7	-58.2	0	0	0	112.8	T68 A69 M75 R579	T68-D71 PolarHBondContact O-N 2.89Å; T68-D71 WeakPolarHBondContact OG1-CB 3.34Å; T68-D71 PolarHBondContact OG1-N 3.43Å; T68-D71 PolarHBondContact OG1-OD2 2.98Å; A69-D71 PolarHBondContact O-N 2.97Å; D71-M75 WeakPolarHBondContact O-CB 3.02Å; D71-M75 PolarHBondContact O-N 3.48Å; D71-R579 IonicContact OD1-NH2 2.8Å; D71-R579 PolarHBondContact OD1-NH2 3.45Å
72	E	42.1	Very low	37.8	Very low	85 Å²	85	79 Å²	79	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-70.4	-41.3	170.9	-69.4	-139.2	135.5	0	0	112	K67 T68 A69 M75 R76	K67-E72 HydrophobicContact CB-CG 3.98Å; K67-E72 HydrophobicContact CD-CG 3.7Å; K67-E72 WeakPolarHBondContact CD-OE1 3.3Å; K67-E72 IonicContact NZ-OE1 4Å; K67-E72 PolarHBondContact NZ-OE1 2.91Å; T68-E72 PolarHBondContact O-N 3.42Å; A69-E72 PolarHBondContact O-N 3.29Å; E72-M75 PolarHBondContact O-N 3Å; E72-R76 PolarHBondContact O-N 3.25Å
73	E	40.2	Very low	38.8	Very low	59 Å²	59	75.1 Å²	75.1	28%	0.276	37%	0.371	S	S	.	.	H	α-helix	trans	-69.5	-46.3	178.6	-171.2	177.2	-162.8	0	0	111.8	A69 M75 R76 L77	A69-E73 VanDerWaalsContact O-CB 3.29Å; A69-E73 WeakPolarHBondContact O-CB 3.49Å; A69-E73 PolarHBondContact O-N 2.95Å; E73-M75 PolarHBondContact O-N 3.47Å; E73-R76 WeakPolarHBondContact O-CB 3.23Å; E73-R76 PolarHBondContact O-N 3.28Å; E73-L77 HydrophobicContact CG-CD1 3.9Å; E73-L77 HydrophobicContact CG-CG 4.36Å; E73-L77 WeakPolarHBondContact O-CB 3.43Å; E73-L77 WeakPolarHBondContact O-CG 3.28Å; E73-L77 PolarHBondContact O-N 3.26Å
74	A	42.6	Very low	39.2	Very low	4 Å²	4	71.6 Å²	71.6	3%	0.033	35%	0.352	C	S	.	.	H	α-helix	trans	-65.5	-25.8	174.2	0	0	0	0	0	112.5	E70 R78 Y619	E70-A74 WeakPolarHBondContact O-CB 3.33Å; E70-A74 PolarHBondContact O-N 3.48Å; A74-R78 WeakPolarHBondContact O-CB 3.08Å; A74-R78 WeakPolarHBondContact O-CD 3.29Å; A74-R78 WeakPolarHBondContact O-CG 3.32Å; A74-R78 PolarHBondContact O-N 3.09Å; A74-Y619 HydrophobicContact CB-CE2 4.36Å; A74-Y619 PolarHBondContact O-OH 2.86Å
75	M	44.5	Very low	40.1	Very low	46 Å²	46	66 Å²	66	23%	0.227	33%	0.327	C	S	.	.	H	α-helix	trans	-73.4	-46	170.5	-168.7	179.1	-49	0	0	111.4	D71 E72 E73 R78 Q79 M518	D71-M75 WeakPolarHBondContact O-CB 3.02Å; D71-M75 PolarHBondContact O-N 3.48Å; E72-M75 PolarHBondContact O-N 3Å; E73-M75 PolarHBondContact O-N 3.47Å; M75-R78 PolarHBondContact O-N 2.68Å; M75-Q79 WeakPolarHBondContact O-CG 3.18Å; M75-Q79 PolarHBondContact O-N 2.8Å; M75-M518 HydrophobicContact CE-CE 3.68Å; M75-M518 HydrophobicContact SD-CE 4.36Å
76	R	48	Very low	40.7	Very low	96 Å²	96	61.4 Å²	61.4	36%	0.362	31%	0.307	S	S	.	.	H	α-helix	trans	-55.4	-53.3	172.7	-82.6	-179.3	151.1	118	-7.9	111.7	E72 E73 R78 Q79 L80 T812	E72-R76 PolarHBondContact O-N 3.25Å; E73-R76 WeakPolarHBondContact O-CB 3.23Å; E73-R76 PolarHBondContact O-N 3.28Å; R76-R78 PolarHBondContact O-N 3.11Å; R76-Q79 WeakPolarHBondContact O-CA 3.13Å; R76-Q79 WeakPolarHBondContact O-CB 3.22Å; R76-Q79 PolarHBondContact O-N 3.44Å; R76-L80 WeakPolarHBondContact O-CG 3.37Å; R76-L80 PolarHBondContact O-N 3.5Å; R76-T812 HydrophobicContact CG-CG2 4.4Å; R76-T812 PolarHBondContact NE-O 3.27Å; R76-T812 PolarHBondContact NE-OG1 2.92Å; R76-T812 PolarHBondContact NH2-O 3.39Å
77	L	40.8	Very low	41.4	Very low	16 Å²	16	58 Å²	58	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-29.3	-178.1	-67.4	170	0	0	0	112.7	E73 L80 S81 Y619 F737	E73-L77 HydrophobicContact CG-CD1 3.9Å; E73-L77 HydrophobicContact CG-CG 4.36Å; E73-L77 WeakPolarHBondContact O-CB 3.43Å; E73-L77 WeakPolarHBondContact O-CG 3.28Å; E73-L77 PolarHBondContact O-N 3.26Å; L77-L80 HydrophobicContact CD2-CD1 4.19Å; L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.03Å; L77-Y619 HydrophobicContact CB-CD1 3.99Å; L77-Y619 HydrophobicContact CB-CD2 3.47Å; L77-Y619 VanDerWaalsContact CB-CD2 3.47Å; L77-Y619 HydrophobicContact CB-CE1 4.34Å; L77-Y619 HydrophobicContact CB-CE2 3.84Å; L77-Y619 HydrophobicContact CB-CG 3.55Å; L77-Y619 HydrophobicContact CD1-CD2 3.55Å; L77-Y619 HydrophobicContact CD1-CE2 4.15Å; L77-Y619 HydrophobicContact CD1-CG 4.24Å; L77-Y619 HydrophobicContact CG-CD2 4.11Å; L77-Y619 HydrophobicContact CG-CG 4.41Å; L77-F737 HydrophobicContact CD1-CB 3.83Å
78	R	46	Very low	41.8	Very low	80 Å²	80	60.1 Å²	60.1	30%	0.302	30%	0.301	S	S	.	.	H	α-helix	trans	-67.8	-46.1	168.3	-77.3	171.7	179	-156	-7.2	112.8	A74 M75 R76 L80 S81 Q82 Y619	A74-R78 WeakPolarHBondContact O-CB 3.08Å; A74-R78 WeakPolarHBondContact O-CD 3.29Å; A74-R78 WeakPolarHBondContact O-CG 3.32Å; A74-R78 PolarHBondContact O-N 3.09Å; M75-R78 PolarHBondContact O-N 2.68Å; R76-R78 PolarHBondContact O-N 3.11Å; R78-L80 VanDerWaalsContact C-N 3.3Å; R78-L80 PolarHBondContact O-N 3.11Å; R78-S81 PolarHBondContact O-N 3Å; R78-Q82 WeakPolarHBondContact O-CG 3.24Å; R78-Q82 PolarHBondContact O-N 3.29Å; R78-Y619 HydrophobicContact CG-CE1 3.61Å; R78-Y619 WeakPolarHBondContact CG-OH 3.08Å; R78-Y619 PolarHBondContact NE-OH 3.34Å
79	Q	46.7	Very low	41.9	Very low	30 Å²	30	61.8 Å²	61.8	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-41.2	176.9	-66.8	176.1	4	0	0	111.4	M75 R76 Q82 R83 F484	M75-Q79 WeakPolarHBondContact O-CG 3.18Å; M75-Q79 PolarHBondContact O-N 2.8Å; R76-Q79 WeakPolarHBondContact O-CA 3.13Å; R76-Q79 WeakPolarHBondContact O-CB 3.22Å; R76-Q79 PolarHBondContact O-N 3.44Å; Q79-Q82 PolarHBondContact O-N 3.36Å; Q79-R83 WeakPolarHBondContact O-CB 3.46Å; Q79-R83 VanDerWaalsContact O-CG 3.31Å; Q79-R83 WeakPolarHBondContact O-CG 3.41Å; Q79-R83 PolarHBondContact O-N 3Å; Q79-F484 HydrophobicContact CB-CE2 4.05Å; Q79-F484 VanDerWaalsContact CD-CE2 3.42Å; Q79-F484 HydrophobicContact CG-CD2 3.75Å; Q79-F484 HydrophobicContact CG-CE2 3.56Å
80	L	39.5	Very low	42.1	Very low	10 Å²	10	63.1 Å²	63.1	5%	0.052	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-45.9	174.3	-65.3	166.5	0	0	0	111.5	R76 L77 R78 Q82 R83 A84 S808 L809 T812	R76-L80 WeakPolarHBondContact O-CG 3.37Å; R76-L80 PolarHBondContact O-N 3.5Å; L77-L80 HydrophobicContact CD2-CD1 4.19Å; R78-L80 VanDerWaalsContact C-N 3.3Å; R78-L80 PolarHBondContact O-N 3.11Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 2.73Å; L80-R83 PolarHBondContact O-N 2.9Å; L80-A84 PolarHBondContact O-N 3.06Å; L80-S808 WeakPolarHBondContact CD2-O 3.3Å; L80-L809 WeakPolarHBondContact CD1-O 3.41Å; L80-T812 HydrophobicContact CD2-CG2 3.99Å; L80-T812 HydrophobicContact CG-CG2 4.11Å
81	S	39.2	Very low	42	Very low	42 Å²	42	66.1 Å²	66.1	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-31.3	177.8	-163.7	0	0	0	0	113.9	L77 R78 K85	L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.03Å; R78-S81 PolarHBondContact O-N 3Å; S81-K85 WeakPolarHBondContact O-CG 3.47Å; S81-K85 PolarHBondContact O-NZ 3.36Å; S81-K85 PolarHBondContact OG-NZ 3.15Å
82	Q	44.1	Very low	41.8	Very low	109 Å²	109	68.4 Å²	68.4	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-76.2	-41.2	173.3	-69.7	-179	-70.5	0	0	111.8	R78 Q79 L80 A84 K85 L86	R78-Q82 WeakPolarHBondContact O-CG 3.24Å; R78-Q82 PolarHBondContact O-N 3.29Å; Q79-Q82 PolarHBondContact O-N 3.36Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 2.73Å; Q82-A84 PolarHBondContact O-N 3.05Å; Q82-K85 PolarHBondContact O-N 3.33Å; Q82-L86 PolarHBondContact O-N 3Å; Q82-L86 VanDerWaalsContact O-N 3.15Å
83	R	44	Very low	41.5	Very low	77 Å²	77	69.1 Å²	69.1	29%	0.291	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-36.6	175.8	-77.2	171.9	167.9	-176.8	-5.8	113.2	Q79 L80 K87 V811	Q79-R83 WeakPolarHBondContact O-CB 3.46Å; Q79-R83 VanDerWaalsContact O-CG 3.31Å; Q79-R83 WeakPolarHBondContact O-CG 3.41Å; Q79-R83 PolarHBondContact O-N 3Å; L80-R83 PolarHBondContact O-N 2.9Å; R83-K87 PolarHBondContact O-N 2.86Å; R83-V811 PolarHBondContact NH1-O 3.19Å
84	A	35	Very low	41.3	Very low	43 Å²	43	69 Å²	69	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-47.7	174.5	0	0	0	0	0	111.7	L80 Q82 L86 K87 E88	L80-A84 PolarHBondContact O-N 3.06Å; Q82-A84 PolarHBondContact O-N 3.05Å; A84-L86 VanDerWaalsContact C-N 3.3Å; A84-L86 PolarHBondContact O-N 3.21Å; A84-K87 WeakPolarHBondContact O-CA 3.48Å; A84-K87 WeakPolarHBondContact O-CB 3.39Å; A84-K87 PolarHBondContact O-N 2.81Å; A84-E88 PolarHBondContact O-N 2.88Å
85	K	44.5	Very low	41	Very low	76 Å²	76	74.4 Å²	74.4	33%	0.33	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-32.1	-179.8	-69.5	178.8	179.1	74	0	113.3	S81 Q82 K87 E88 N89	S81-K85 WeakPolarHBondContact O-CG 3.47Å; S81-K85 PolarHBondContact O-NZ 3.36Å; S81-K85 PolarHBondContact OG-NZ 3.15Å; Q82-K85 PolarHBondContact O-N 3.33Å; K85-K87 PolarHBondContact O-N 3.43Å; K85-E88 WeakPolarHBondContact CA-OE2 3.48Å; K85-E88 WeakPolarHBondContact CG-OE2 3.37Å; K85-E88 PolarHBondContact O-N 3.43Å; K85-N89 WeakPolarHBondContact O-CB 3.48Å; K85-N89 PolarHBondContact O-N 2.88Å
86	L	40.7	Very low	40.5	Very low	55 Å²	55	81.4 Å²	81.4	29%	0.288	40%	0.398	S	S	.	.	H	α-helix	trans	-66.7	-20.9	170.7	-76.5	167.8	0	0	0	113.4	Q82 A84 N90	Q82-L86 PolarHBondContact O-N 3Å; Q82-L86 VanDerWaalsContact O-N 3.15Å; A84-L86 VanDerWaalsContact C-N 3.3Å; A84-L86 PolarHBondContact O-N 3.21Å; L86-N90 PolarHBondContact O-ND2 2.78Å
87	K	42.5	Very low	39.8	Very low	106 Å²	106	85.2 Å²	85.2	46%	0.461	42%	0.417	S	S	.	.	H	α-helix	trans	-84.3	-45.1	169.5	-79.2	-171.3	162.6	-163	0	112.1	R83 A84 K85 N89 N90 N91 E804	R83-K87 PolarHBondContact O-N 2.86Å; A84-K87 WeakPolarHBondContact O-CA 3.48Å; A84-K87 WeakPolarHBondContact O-CB 3.39Å; A84-K87 PolarHBondContact O-N 2.81Å; K85-K87 PolarHBondContact O-N 3.43Å; K87-N89 VanDerWaalsContact C-N 3.35Å; K87-N89 PolarHBondContact O-N 2.88Å; K87-N90 WeakPolarHBondContact O-CA 3.23Å; K87-N90 WeakPolarHBondContact O-CB 3.23Å; K87-N90 PolarHBondContact O-N 3.22Å; K87-N91 PolarHBondContact O-N 3.09Å; K87-N91 VanDerWaalsContact O-N 3.11Å; K87-E804 IonicContact NZ-OE1 2.73Å; K87-E804 PolarHBondContact NZ-OE1 2.59Å
88	E	40.6	Very low	39.4	Very low	115 Å²	115	92.7 Å²	92.7	54%	0.537	45%	0.452	S	S	.	.	H	α-helix	trans	-55.7	-49.1	178.4	-67.3	170	140.4	0	0	111.1	A84 K85 N90 N91 D92	A84-E88 PolarHBondContact O-N 2.88Å; K85-E88 WeakPolarHBondContact CA-OE2 3.48Å; K85-E88 WeakPolarHBondContact CG-OE2 3.37Å; K85-E88 PolarHBondContact O-N 3.43Å; E88-N90 PolarHBondContact O-N 2.94Å; E88-N90 VanDerWaalsContact O-N 3.08Å; E88-N91 PolarHBondContact O-N 3.05Å; E88-N91 VanDerWaalsContact O-N 3.13Å; E88-D92 PolarHBondContact O-N 2.8Å
89	N	39.9	Very low	38.6	Very low	92 Å²	92	97.4 Å²	97.4	49%	0.492	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-16.1	175.3	-77	-13.6	0	0	0	114.6	K85 K87 N93	K85-N89 WeakPolarHBondContact O-CB 3.48Å; K85-N89 PolarHBondContact O-N 2.88Å; K87-N89 VanDerWaalsContact C-N 3.35Å; K87-N89 PolarHBondContact O-N 2.88Å; N89-N93 PolarHBondContact O-ND2 3.12Å
90	N	40.2	Very low	37.6	Very low	104 Å²	104	103.5 Å²	103.5	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-89.5	-35.5	174.5	-81.3	-40.4	0	0	0	111.9	L86 K87 E88 N93 S94	L86-N90 PolarHBondContact O-ND2 2.78Å; K87-N90 WeakPolarHBondContact O-CA 3.23Å; K87-N90 WeakPolarHBondContact O-CB 3.23Å; K87-N90 PolarHBondContact O-N 3.22Å; E88-N90 PolarHBondContact O-N 2.94Å; E88-N90 VanDerWaalsContact O-N 3.08Å; N90-N93 PolarHBondContact O-N 2.86Å; N90-S94 PolarHBondContact O-N 3.04Å
91	N	37.7	Very low	37.1	Very low	106 Å²	106	111 Å²	111	57%	0.567	55%	0.551	S	S	*	*	H	α-helix	trans	-68.1	-41.5	173.4	-74.7	11.7	0	0	0	111.6	K87 E88 N93 S94 D95	K87-N91 PolarHBondContact O-N 3.09Å; K87-N91 VanDerWaalsContact O-N 3.11Å; E88-N91 PolarHBondContact O-N 3.05Å; E88-N91 VanDerWaalsContact O-N 3.13Å; N91-N93 PolarHBondContact O-N 3.5Å; N91-S94 PolarHBondContact O-N 3.19Å; N91-S94 PolarHBondContact O-OG 2.83Å; N91-D95 PolarHBondContact O-N 3.33Å; N91-D95 VanDerWaalsContact O-N 3.09Å
92	D	38.6	Very low	36.7	Very low	85 Å²	85	114.4 Å²	114.4	46%	0.455	58%	0.575	S	S	.	*	H	α-helix	trans	-58.5	-22.5	172.9	-92.6	21	0	0	0	113	E88 R96	E88-D92 PolarHBondContact O-N 2.8Å; D92-R96 WeakPolarHBondContact O-CD 3.32Å; D92-R96 VanDerWaalsContact O-CG 3.26Å; D92-R96 WeakPolarHBondContact O-CG 3.43Å
93	N	36.5	Very low	36	Very low	100 Å²	100	116 Å²	116	54%	0.535	59%	0.591	S	S	.	*	H	α-helix	trans	-92.7	-14.6	175.4	-84.4	-64.6	0	0	0	114.3	N89 N90 N91	N89-N93 PolarHBondContact O-ND2 3.12Å; N90-N93 PolarHBondContact O-N 2.86Å; N91-N93 PolarHBondContact O-N 3.5Å
94	S	36	Very low	35.4	Very low	56 Å²	56	118.1 Å²	118.1	39%	0.392	61%	0.605	S	S	.	*	H	α-helix	trans	-80.2	-41.5	166.2	53	0	0	0	0	111.4	N90 N91 R96 K97	N90-S94 PolarHBondContact O-N 3.04Å; N91-S94 PolarHBondContact O-N 3.19Å; N91-S94 PolarHBondContact O-OG 2.83Å; S94-R96 VanDerWaalsContact C-N 3.32Å; S94-R96 PolarHBondContact O-N 3.17Å; S94-K97 WeakPolarHBondContact O-CB 3.39Å; S94-K97 PolarHBondContact O-N 3.19Å
95	D	36.1	Very low	35.2	Very low	119 Å²	119	119.5 Å²	119.5	64%	0.636	62%	0.623	S	S	*	*	H	α-helix	trans	-72.7	-29.6	-175.3	-67.8	-0.9	0	0	0	111.7	N91 K97 H98	N91-D95 PolarHBondContact O-N 3.33Å; N91-D95 VanDerWaalsContact O-N 3.09Å; D95-K97 PolarHBondContact O-N 3.31Å; D95-K97 VanDerWaalsContact O-N 3.13Å; D95-H98 PolarHBondContact O-N 3.48Å
96	R	34.7	Very low	34.6	Very low	193 Å²	193	121 Å²	121	73%	0.728	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	4	168.4	-71.1	178.8	-173.3	170.2	9.6	114.9	D92 S94	D92-R96 WeakPolarHBondContact O-CD 3.32Å; D92-R96 VanDerWaalsContact O-CG 3.26Å; D92-R96 WeakPolarHBondContact O-CG 3.43Å; S94-R96 VanDerWaalsContact C-N 3.32Å; S94-R96 PolarHBondContact O-N 3.17Å
97	K	32.8	Very low	34.2	Very low	175 Å²	175	123.5 Å²	123.5	76%	0.761	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	3.6	171	-87.5	-177.2	172.5	178.5	0	114.7	S94 D95	S94-K97 WeakPolarHBondContact O-CB 3.39Å; S94-K97 PolarHBondContact O-N 3.19Å; D95-K97 PolarHBondContact O-N 3.31Å; D95-K97 VanDerWaalsContact O-N 3.13Å
98	H	31.7	Very low	33.7	Very low	174 Å²	174	127.9 Å²	127.9	81%	0.806	68%	0.675	S	S	*	*	S	Bend	trans	-124.2	49	175.5	-76.9	-55.7	0	0	0	112.9	D95	D95-H98 PolarHBondContact O-N 3.48Å
99	Q	28.6	Very low	33.4	Very low	179 Å²	179	126.8 Å²	126.8	84%	0.836	69%	0.685	S	S	*	*	S	Bend	trans	-144.1	29.6	173.6	-144.8	160.9	55.5	0	0	115.6
100	D	27	Very low	33.2	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	69%	0.692	S	S	*	*	S	Bend	trans	-137.1	78.4	168.1	-98.2	-41.3	0	0	0	109.8
101	D	28.3	Very low	32.9	Very low	166 Å²	166	130.2 Å²	130.2	89%	0.888	70%	0.696	S	S	*	*			trans	178	96.9	153.2	-107.3	-26.5	0	0	0	112.1
102	S	31.1	Very low	32.5	Very low	115 Å²	115	132.8 Å²	132.8	80%	0.804	71%	0.705	S	S	*	*			trans	167.8	108.8	138.1	63.9	0	0	0	0	113.5
103	V	29.2	Very low	33	Very low	141 Å²	141	134.2 Å²	134.2	86%	0.855	72%	0.719	S	S	*	*			trans	-146.1	112	160.1	-179.3	0	0	0	0	111.4
104	Q	31.7	Very low	33.2	Very low	122 Å²	122	134.8 Å²	134.8	57%	0.57	73%	0.728	S	S	*	*			trans	168.8	103.3	149.7	-99.3	173.2	36.6	0	0	107.9
105	G	30	Very low	32.9	Very low	72 Å²	72	138.1 Å²	138.1	74%	0.742	75%	0.746	S	S	*	*				117.5	164.7	93.1	0	0	0	0	0	109.2
106	T	32.6	Very low	32.8	Very low	108 Å²	108	138.6 Å²	138.6	66%	0.663	75%	0.754	S	S	*	*			cis	-158	141.5	11.7	37	0	0	0	0	111.6
107	D	32.6	Very low	32.7	Very low	107 Å²	107	134.6 Å²	134.6	57%	0.572	76%	0.755	S	S	*	*			trans	64.4	158.9	130.8	-47.5	-1	0	0	0	118.2	R152	D107-R152 IonicContact OD1-NH2 2.68Å; D107-R152 PolarHBondContact OD1-NH2 2.99Å; D107-R152 VanDerWaalsContact OD1-NH2 3.07Å; D107-R152 IonicContact OD2-CZ 2.86Å; D107-R152 IonicContact OD2-NH1 2.63Å; D107-R152 PolarHBondContact OD2-NH1 3.27Å; D107-R152 IonicContact OD2-NH2 3.77Å; D107-R152 PolarHBondContact OD2-NH2 2.88Å
108	E	33	Very low	32.7	Very low	199 Å²	199	130.5 Å²	130.5	93%	0.93	75%	0.754	S	S	*	*			cis	-119.5	-107.3	14.1	-63.2	-177.3	99.8	0	0	115.9
109	A	33.6	Very low	32.8	Very low	91 Å²	91	128.3 Å²	128.3	75%	0.752	75%	0.753	S	S	*	*			trans	-153.8	-163.3	-154.5	0	0	0	0	0	111.9
110	D	34.7	Very low	33	Very low	120 Å²	120	131.2 Å²	131.2	64%	0.642	76%	0.757	S	S	*	*			cis	-165.6	162.9	12.7	-155.3	2.7	0	0	0	113.7
111	K	33.9	Very low	33.3	Very low	148 Å²	148	129.2 Å²	129.2	64%	0.643	76%	0.755	S	S	*	*			trans	57.8	158.5	161.4	-67.2	-173.8	-178.8	76.8	0	120.8
112	E	29.3	Very low	33.4	Very low	160 Å²	160	126.3 Å²	126.3	75%	0.748	75%	0.747	S	S	*	*			cis	-162.6	151.7	-24.5	-110.2	164.9	-158	0	0	109.1
113	P	49.5	Very low	33.5	Very low	116 Å²	116	130.1 Å²	130.1	75%	0.753	75%	0.752	S	S	*	*			trans	-103.7	167.8	173.8	40	-34.1	0	0	0	113.2
114	P	40.8	Very low	33.6	Very low	112 Å²	112	127.8 Å²	127.8	73%	0.727	75%	0.748	S	S	*	*				-163.2	169.8	104.4	40	-19.2	0	0	0	120.6
115	T	30	Very low	33.6	Very low	125 Å²	125	129.1 Å²	129.1	77%	0.767	76%	0.759	S	S	*	*			trans	79.5	156.9	142.3	42.7	0	0	0	0	125.4
116	T	33.5	Very low	33.6	Very low	130 Å²	130	133.4 Å²	133.4	80%	0.798	76%	0.762	S	S	*	*			trans	74.7	126.3	173.3	65.4	0	0	0	0	117.9
117	S	33.3	Very low	33.6	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	76%	0.758	S	S	*	*			cis	102.4	145.3	22.1	73.1	0	0	0	0	114.2
118	A	32.8	Very low	33.7	Very low	88 Å²	88	136.2 Å²	136.2	73%	0.727	77%	0.768	S	S	*	*			cis	-177.6	151.2	-19.5	0	0	0	0	0	110.6
119	T	33.4	Very low	33.6	Very low	129 Å²	129	131.5 Å²	131.5	79%	0.791	76%	0.757	S	S	*	*			trans	-161.9	120.4	159.4	16.9	0	0	0	0	108.2
120	W	33.4	Very low	33.5	Very low	240 Å²	240	131.4 Å²	131.4	91%	0.909	75%	0.751	S	S	*	*				66.8	134	87.9	-67.7	39.4	0	0	0	112.9
121	S	32.6	Very low	33.4	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	76%	0.757	S	S	*	*			cis	-135.5	172.6	26.1	-59	0	0	0	0	114.9
122	S	31	Very low	33.4	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	76%	0.762	S	S	*	*			trans	-98.1	164.8	179.9	54	0	0	0	0	114.1
123	E	33.1	Very low	33.5	Very low	195 Å²	195	129.3 Å²	129.3	91%	0.911	76%	0.755	S	S	*	*				-164.7	166.4	113.2	-108.4	170.6	-170.1	0	0	112
124	A	30.3	Very low	32.6	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	76%	0.757	S	S	*	*			trans	-158.1	154.7	-167.1	0	0	0	0	0	113.7
125	D	31.6	Very low	32.3	Very low	150 Å²	150	132.5 Å²	132.5	80%	0.802	76%	0.755	S	S	*	*			trans	-157	138.2	156.1	-106	-27.1	0	0	0	106
126	M	31.5	Very low	32.5	Very low	161 Å²	161	132.7 Å²	132.7	79%	0.793	76%	0.756	S	S	*	*			cis	67.3	137.1	43.2	-65.7	-139.6	170	0	0	113.5
127	T	32.6	Very low	32.4	Very low	95 Å²	95	131.8 Å²	131.8	58%	0.583	75%	0.746	S	S	*	*			cis	-157.1	173.2	2.7	17	0	0	0	0	112.3
128	K	33.9	Very low	32.4	Very low	179 Å²	179	134.1 Å²	134.1	78%	0.778	74%	0.743	S	S	*	*			trans	74.4	126.1	161	-67.9	140.1	-175.3	167.3	0	115.7
129	S	31	Very low	32.4	Very low	100 Å²	100	136.4 Å²	136.4	70%	0.699	75%	0.748	S	S	*	*				83.5	150.5	50.6	91	0	0	0	0	113.1
130	S	32.7	Very low	32.3	Very low	89 Å²	89	135 Å²	135	62%	0.622	75%	0.749	S	S	*	*			cis	-164.5	141	12.5	5.3	0	0	0	0	113.3
131	I	31.3	Very low	32.2	Very low	150 Å²	150	129.1 Å²	129.1	77%	0.769	75%	0.745	S	S	*	*			trans	54.4	135.9	130.3	-44	160.2	0	0	0	120.2
132	V	33.7	Very low	32	Very low	126 Å²	126	130.1 Å²	130.1	76%	0.764	75%	0.746	S	S	*	*				156.5	106.1	126.6	166.8	0	0	0	0	111.3
133	D	31.7	Very low	31.6	Very low	109 Å²	109	131.1 Å²	131.1	58%	0.583	75%	0.748	S	S	*	*				41.6	155.4	129.9	-67.8	35.3	0	0	0	122.9
134	R	31.5	Very low	31.2	Very low	212 Å²	212	130.2 Å²	130.2	80%	0.8	74%	0.744	S	S	*	*			cis	-163.4	152.8	7.4	-134.7	167.2	161.4	96.5	-6.5	112.2
135	A	33	Very low	31	Very low	83 Å²	83	134.6 Å²	134.6	69%	0.686	75%	0.748	S	S	*	*			trans	62	153	149.6	0	0	0	0	0	117.3
136	T	34	Very low	30.5	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	75%	0.747	S	S	*	*			cis	-165.9	164.6	0.1	0.5	0	0	0	0	107
137	D	32.1	Very low	30.2	Very low	112 Å²	112	132.5 Å²	132.5	60%	0.599	75%	0.75	S	S	*	*			cis	-158.9	171	2.7	-156.3	0.5	0	0	0	111.8
138	K	33	Very low	29.6	Very low	157 Å²	157	133.8 Å²	133.8	68%	0.683	76%	0.757	S	S	*	*			trans	57.5	134.1	149.3	-85.2	170.9	-172	90.7	0	124.6
139	T	33.5	Very low	29.1	Very low	137 Å²	137	136.9 Å²	136.9	84%	0.84	76%	0.764	S	S	*	*			trans	79.4	100.9	148.5	42.6	0	0	0	0	120.8
140	A	30.7	Very low	28.7	Very low	99 Å²	99	137.9 Å²	137.9	82%	0.818	77%	0.766	S	S	*	*			trans	-73.5	-177.6	159.2	0	0	0	0	0	111
141	S	30.7	Very low	28.3	Very low	116 Å²	116	139.6 Å²	139.6	81%	0.811	77%	0.767	S	S	*	*			cis	-148.9	161.9	19.4	56.5	0	0	0	0	115.1
142	T	29.3	Very low	27.9	Very low	138 Å²	138	141.2 Å²	141.2	85%	0.847	76%	0.763	S	S	*	*			trans	-86.6	164	-171.1	46.3	0	0	0	0	115
143	T	23	Very low	27.5	Very low	124 Å²	124	142.6 Å²	142.6	76%	0.761	76%	0.759	S	S	*	*			trans	-80.5	177.1	165.4	42.6	0	0	0	0	112.9
144	E	23.7	Very low	27.2	Very low	176 Å²	176	147.4 Å²	147.4	82%	0.822	78%	0.775	S	S	*	*			trans	79.5	122	168.5	-55.6	-166.9	175.3	0	0	118.4
145	H	27.3	Very low	26.9	Very low	186 Å²	186	140.5 Å²	140.5	86%	0.861	77%	0.77	S	S	*	*			trans	-153	135.8	140.9	-111.8	-73.3	0	0	0	109.9
146	V	20.9	Very low	26.7	Very low	130 Å²	130	143.3 Å²	143.3	79%	0.788	78%	0.778	S	S	*	*			trans	-104	140.5	170.7	173.5	0	0	0	0	108.8
147	T	24.6	Very low	26.3	Very low	137 Å²	137	145.3 Å²	145.3	84%	0.84	78%	0.778	S	S	*	*			trans	-150.1	146.1	169	-0.3	0	0	0	0	112.2
148	V	21	Very low	26.1	Very low	122 Å²	122	147.1 Å²	147.1	74%	0.739	79%	0.787	S	S	*	*			trans	-132.5	137.4	-178.7	174.2	0	0	0	0	108.8
149	R	22.2	Very low	26.2	Very low	243 Å²	243	144.4 Å²	144.4	92%	0.917	79%	0.786	S	S	*	*			trans	-177.6	157.5	151	-104.1	154	-172.2	-176.7	2.2	114.5
150	T	22.1	Very low	25.7	Very low	122 Å²	122	143.7 Å²	143.7	75%	0.748	78%	0.781	S	S	*	*			trans	-161.9	159.3	-171.4	47.2	0	0	0	0	109.4
151	I	25.5	Very low	25.7	Very low	125 Å²	125	147.4 Å²	147.4	64%	0.641	78%	0.782	S	S	*	*			cis	-164.2	147.9	-14.8	-105.8	164.3	0	0	0	106
152	R	23.1	Very low	25.6	Very low	184 Å²	184	150.4 Å²	150.4	69%	0.694	78%	0.783	S	S	*	*			trans	-149.9	165	158.5	-109.8	176.9	-168.1	-146	1.3	112.5	D107	D107-R152 IonicContact OD1-NH2 2.68Å; D107-R152 PolarHBondContact OD1-NH2 2.99Å; D107-R152 VanDerWaalsContact OD1-NH2 3.07Å; D107-R152 IonicContact OD2-CZ 2.86Å; D107-R152 IonicContact OD2-NH1 2.63Å; D107-R152 PolarHBondContact OD2-NH1 3.27Å; D107-R152 IonicContact OD2-NH2 3.77Å; D107-R152 PolarHBondContact OD2-NH2 2.88Å
153	K	25.1	Very low	25.7	Very low	154 Å²	154	151.3 Å²	151.3	67%	0.67	78%	0.778	S	S	*	*			trans	-100.2	-177.7	-165.7	-55.4	148.2	169.5	159.5	0	110
154	K	25.1	Very low	26.2	Very low	210 Å²	210	151.9 Å²	151.9	91%	0.913	77%	0.771	S	S	*	*			cis	-169.3	157	7.1	-149.5	-179.8	-178.5	-172.1	0	109
155	G	25	Very low	26.6	Very low	68 Å²	68	147.6 Å²	147.6	70%	0.701	76%	0.761	S	S	*	*			trans	134.8	134.7	146	0	0	0	0	0	121.3
156	V	27.8	Very low	26.8	Very low	141 Å²	141	142.5 Å²	142.5	86%	0.855	75%	0.746	S	S	*	*			trans	66.9	95.7	149.2	-162.8	0	0	0	0	121.8
157	E	26.6	Very low	27.4	Very low	170 Å²	170	144.4 Å²	144.4	79%	0.794	74%	0.744	S	S	*	*				25.8	142.7	127.2	-73.7	-179.3	174.4	0	0	126.8
158	L	26.8	Very low	27.8	Very low	150 Å²	150	143 Å²	143	79%	0.785	73%	0.732	S	S	*	*			trans	88.6	154.5	139.8	-76.7	169.4	0	0	0	120.2
159	P	35.5	Very low	28.4	Very low	100 Å²	100	143 Å²	143	65%	0.649	73%	0.728	S	S	*	*				-139.6	-153.8	-117	47.4	-28.8	0	0	0	116.6
160	T	24.5	Very low	28.8	Very low	122 Å²	122	138.3 Å²	138.3	75%	0.748	71%	0.714	S	S	*	*			trans	75.2	154.4	171	7.7	0	0	0	0	114.6
161	E	30.5	Very low	29.4	Very low	177 Å²	177	138.3 Å²	138.3	83%	0.827	72%	0.716	S	S	*	*			cis	-130.5	161.8	10.1	-60.5	178.3	131.1	0	0	109.2
162	Q	27.5	Very low	30.3	Very low	180 Å²	180	137.3 Å²	137.3	84%	0.841	72%	0.717	S	S	*	*				60.6	154.2	54	-83.5	-166.4	-8.8	0	0	116
163	E	31.6	Very low	30.7	Very low	157 Å²	157	135.4 Å²	135.4	73%	0.734	73%	0.727	S	S	*	*			cis	-82.9	-140.8	-7.5	-59.8	-172.5	101.8	0	0	112
164	Q	33.5	Very low	30.9	Very low	135 Å²	135	136.8 Å²	136.8	63%	0.631	74%	0.735	S	S	*	*			cis	-158.2	172.2	-12.2	-140.1	-171.6	82.3	0	0	106.2
165	S	32.5	Very low	31	Very low	87 Å²	87	134.8 Å²	134.8	61%	0.608	73%	0.729	S	S	*	*			cis	-143.8	159.6	0.3	-36.9	0	0	0	0	105.8
166	S	30.5	Very low	31.2	Very low	78 Å²	78	138.9 Å²	138.9	55%	0.545	73%	0.732	S	S	.	*			cis	77	144.9	27.9	87.6	0	0	0	0	115.4
167	F	34.1	Very low	31.3	Very low	171 Å²	171	141.6 Å²	141.6	75%	0.75	74%	0.735	S	S	*	*			cis	-133.5	169.6	12.5	-58.2	-98.7	0	0	0	109.9
168	D	32.8	Very low	31.4	Very low	107 Å²	107	137.2 Å²	137.2	57%	0.572	74%	0.736	S	S	*	*			cis	-150.1	-163.1	-4.9	-131	-30.6	0	0	0	104.7	K170	D168-K170 IonicContact OD1-NZ 3.71Å; D168-K170 PolarHBondContact OD1-NZ 3.33Å; D168-K170 IonicContact OD2-NZ 2.73Å; D168-K170 PolarHBondContact OD2-NZ 2.89Å
169	D	33.9	Very low	31.4	Very low	122 Å²	122	133.7 Å²	133.7	65%	0.652	74%	0.736	S	S	*	*			cis	-143	176.7	6.5	-141.2	-33.5	0	0	0	113.5
170	K	30.7	Very low	31.3	Very low	145 Å²	145	139.2 Å²	139.2	63%	0.63	75%	0.75	S	S	*	*			trans	-75.3	173.3	-145.9	-75.8	154.9	-159.4	62.1	0	120	D168	D168-K170 IonicContact OD1-NZ 3.71Å; D168-K170 PolarHBondContact OD1-NZ 3.33Å; D168-K170 IonicContact OD2-NZ 2.73Å; D168-K170 PolarHBondContact OD2-NZ 2.89Å
171	P	36	Very low	31.6	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	76%	0.755	S	S	*	*			trans	-115.6	-111.7	-166.7	23.4	2.6	0	0	0	116.2
172	P	43.3	Very low	32	Very low	104 Å²	104	138.8 Å²	138.8	68%	0.675	75%	0.748	S	S	*	*				-127.6	177	-112.6	41.2	-25.6	0	0	0	116.2
173	T	31.5	Very low	32.3	Very low	145 Å²	145	135.2 Å²	135.2	89%	0.89	74%	0.743	S	S	*	*			trans	-172.8	-177	134	15.8	0	0	0	0	111.7
174	E	29	Very low	32.5	Very low	182 Å²	182	136.3 Å²	136.3	85%	0.85	75%	0.746	S	S	*	*			trans	-109	170.5	-157.4	-59.7	170.3	113.6	0	0	115.9
175	E	27.7	Very low	32.5	Very low	169 Å²	169	137.5 Å²	137.5	79%	0.79	75%	0.751	S	S	*	*			trans	81.8	146.8	154.6	-76.9	-163.1	176.7	0	0	124.4
176	M	29.9	Very low	32.6	Very low	154 Å²	154	141 Å²	141	76%	0.759	76%	0.757	S	S	*	*			trans	74.9	109.8	162.1	-56.2	-145.3	178.5	0	0	123.5
177	E	30.1	Very low	32.6	Very low	197 Å²	197	145.8 Å²	145.8	92%	0.921	77%	0.768	S	S	*	*			trans	65.1	160.1	136.1	-58.2	-157.2	143.4	0	0	123.5
178	G	28.1	Very low	32.6	Very low	79 Å²	79	143.8 Å²	143.8	81%	0.814	77%	0.772	S	S	*	*			trans	117.8	34.1	153.9	0	0	0	0	0	120.6
179	G	27	Very low	32.5	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	79%	0.786	S	S	*	*			trans	-75.2	-179.7	-172.8	0	0	0	0	0	118.3
180	K	33.7	Very low	32.3	Very low	217 Å²	217	147.9 Å²	147.9	94%	0.943	79%	0.794	S	S	*	*			trans	-155.9	148.3	160.7	-111.3	159.1	-171.4	168.9	0	113.6
181	Q	29.6	Very low	32.3	Very low	184 Å²	184	148.9 Å²	148.9	86%	0.86	80%	0.801	S	S	*	*			trans	-94.3	-176.1	-179.7	-84.1	-169.8	-5.3	0	0	111
182	P	39.1	Very low	31.9	Very low	106 Å²	106	149.2 Å²	149.2	69%	0.688	80%	0.796	S	S	*	*			cis	-149.2	-177.3	19.4	44.2	-23	0	0	0	120.7
183	S	33.4	Very low	31.2	Very low	105 Å²	105	155.4 Å²	155.4	73%	0.734	81%	0.805	S	S	*	*			trans	90.7	140.1	154.9	89	0	0	0	0	117.6
184	K	37.1	Very low	31	Very low	180 Å²	180	157 Å²	157	78%	0.783	80%	0.8	S	S	*	*			cis	-134.7	148.5	6.5	-69.6	178.6	-179.4	176.2	0	113.6
185	Q	32.7	Very low	31.2	Very low	159 Å²	159	155.2 Å²	155.2	74%	0.743	80%	0.795	S	S	*	*			trans	10.2	153	140.8	-70.9	164.7	-50.7	0	0	121.5
186	H	34	Very low	31.3	Very low	160 Å²	160	153 Å²	153	74%	0.741	79%	0.789	S	S	*	*			cis	-152.4	166.1	9.5	-125.6	-62.8	0	0	0	112.8
187	K	30.4	Very low	31.4	Very low	180 Å²	180	152.4 Å²	152.4	78%	0.783	78%	0.784	S	S	*	*			trans	-84.2	157.4	175.9	-62.2	178.8	179.1	179.6	0	113.7
188	P	35.4	Very low	31	Very low	128 Å²	128	154.7 Å²	154.7	83%	0.831	78%	0.784	S	S	*	*			trans	-78.4	159.1	160.6	35	-35.2	0	0	0	112.2
189	T	30.6	Very low	31	Very low	140 Å²	140	156.1 Å²	156.1	86%	0.859	78%	0.777	S	S	*	*			trans	-143.2	142.7	175.7	-57.9	0	0	0	0	110.4
190	Q	29.8	Very low	30.8	Very low	176 Å²	176	160 Å²	160	82%	0.822	78%	0.778	S	S	*	*			trans	-83.6	148.2	176.1	-61	173.4	-12.3	0	0	111.7
191	Q	30.4	Very low	30.3	Very low	165 Å²	165	161.2 Å²	161.2	77%	0.771	78%	0.777	S	S	*	*				179.2	150.7	112.6	-100.2	-174.2	16.5	0	0	115.5
192	L	27	Very low	29.9	Very low	129 Å²	129	158.3 Å²	158.3	68%	0.675	77%	0.772	S	S	*	*			trans	67.1	97.9	142.8	-76.6	170.7	0	0	0	122.3
193	R	29.3	Very low	29.2	Very low	233 Å²	233	161.7 Å²	161.7	88%	0.879	78%	0.776	S	S	*	*				135.4	150.8	120.4	-75.1	168.1	-173.1	-155.5	3.5	113
194	K	27.6	Very low	28.9	Very low	178 Å²	178	164.3 Å²	164.3	77%	0.774	77%	0.774	S	S	*	*			cis	-175.4	156.7	-38.3	-139.6	-173.9	179.5	-173.9	0	107.1
195	I	32.1	Very low	28.5	Very low	145 Å²	145	161.5 Å²	161.5	74%	0.744	77%	0.772	S	S	*	*			trans	72	144.3	162.9	-59.4	158.5	0	0	0	114.1
196	D	29.8	Very low	28.4	Very low	124 Å²	124	162.5 Å²	162.5	66%	0.663	77%	0.774	S	S	*	*			cis	-179.2	162.9	-37	-115.5	46	0	0	0	106.6
197	Q	31.6	Very low	28.2	Very low	140 Å²	140	162.5 Å²	162.5	65%	0.654	78%	0.78	S	S	*	*			cis	-156	169.4	-4.1	-156	-179	95.7	0	0	108.9	T199	Q197-T199 PolarHBondContact OE1-OG1 3.47Å
198	R	21.7	Very low	28.1	Very low	246 Å²	246	157.1 Å²	157.1	93%	0.928	78%	0.775	S	S	*	*			trans	-138.1	128.5	152.5	-90.7	-175.8	172.3	178.2	-2	107.8
199	T	28.6	Very low	27.9	Very low	109 Å²	109	160.6 Å²	160.6	67%	0.669	78%	0.78	S	S	*	*			trans	-146.7	141	174.3	-51.3	0	0	0	0	112.4	Q197	Q197-T199 PolarHBondContact OE1-OG1 3.47Å
200	I	22.2	Very low	27.8	Very low	156 Å²	156	158.5 Å²	158.5	80%	0.8	77%	0.772	S	S	*	*			trans	-127.3	134.3	172.3	-62.6	168.4	0	0	0	107.2
201	R	23.9	Very low	27.7	Very low	242 Å²	242	155.9 Å²	155.9	91%	0.913	77%	0.767	S	S	*	*			trans	175.1	176.2	151.7	-97.8	154.3	-167.3	-154	3.1	112.2
202	T	22.2	Very low	27.7	Very low	123 Å²	123	156 Å²	156	76%	0.755	77%	0.773	S	S	*	*			trans	-134.6	-172.8	-172.2	56.7	0	0	0	0	109.8
203	F	23.8	Very low	27.7	Very low	177 Å²	177	153.1 Å²	153.1	78%	0.776	78%	0.775	S	S	*	*			cis	-167.7	-176.7	20.6	-143.3	-7.3	0	0	0	113.1
204	K	27.1	Very low	28.1	Very low	160 Å²	160	147.9 Å²	147.9	70%	0.696	77%	0.771	S	S	*	*			trans	66.7	97.9	150.7	-78.2	-177.5	176.9	-178.9	0	122.6
205	T	28.3	Very low	28.4	Very low	121 Å²	121	149 Å²	149	74%	0.742	78%	0.779	S	S	*	*				64.6	123.9	117.6	56.5	0	0	0	0	125.7
206	K	30.4	Very low	28.2	Very low	180 Å²	180	146.6 Å²	146.6	78%	0.783	78%	0.775	S	S	*	*				87.6	109.9	129.1	-77.2	-171.9	173.5	-176.3	0	124.3
207	N	30.1	Very low	28.2	Very low	160 Å²	160	149.6 Å²	149.6	86%	0.856	78%	0.782	S	S	*	*				81.6	132.7	122.9	-66.6	22.1	0	0	0	124.8
208	G	29.1	Very low	28.2	Very low	67 Å²	67	147.7 Å²	147.7	69%	0.691	78%	0.776	S	S	*	*			trans	147.8	112.4	163.6	0	0	0	0	0	110.3
209	Q	30.1	Very low	28.5	Very low	201 Å²	201	145.8 Å²	145.8	94%	0.939	77%	0.769	S	S	*	*				67.5	138.3	57.1	-77.1	-174	-24.3	0	0	114.4
210	S	27.8	Very low	28.5	Very low	96 Å²	96	152.6 Å²	152.6	67%	0.671	78%	0.783	S	S	*	*			cis	-168.9	138	6.8	149.9	0	0	0	0	115.8
211	V	28.2	Very low	28.8	Very low	121 Å²	121	149.6 Å²	149.6	73%	0.733	78%	0.782	S	S	*	*			trans	64.2	130.9	138.5	177.5	0	0	0	0	123.9
212	N	31	Very low	29.5	Very low	168 Å²	168	143.5 Å²	143.5	90%	0.898	77%	0.773	S	S	*	*				-170.5	158.3	123.4	-97.3	-41.4	0	0	0	112.8
213	G	26.5	Very low	29.8	Very low	68 Å²	68	142.8 Å²	142.8	70%	0.701	77%	0.773	S	S	*	*			trans	-142.2	-139.6	178.3	0	0	0	0	0	110.7
214	P	38.3	Very low	29.9	Very low	123 Å²	123	139 Å²	139	80%	0.799	77%	0.769	S	S	*	*			cis	-133.9	175.6	-33.2	41.8	-27.6	0	0	0	113.1
215	Q	34.5	Very low	29.9	Very low	202 Å²	202	138.9 Å²	138.9	94%	0.944	78%	0.775	S	S	*	*			trans	-177.1	175.9	146.4	-107.2	171.3	35.8	0	0	113.8
216	S	27	Very low	30	Very low	94 Å²	94	140.9 Å²	140.9	66%	0.657	78%	0.776	S	S	*	*			trans	-137.8	159.2	-167.6	54.4	0	0	0	0	113.5
217	F	30.7	Very low	29.8	Very low	187 Å²	187	140.4 Å²	140.4	82%	0.82	78%	0.777	S	S	*	*				178.1	143.1	128.4	-106.9	-73	0	0	0	116.2
218	D	29.8	Very low	29.4	Very low	100 Å²	100	138.1 Å²	138.1	54%	0.535	77%	0.773	S	S	.	*			trans	55.5	119.5	147.2	-90.1	-6.9	0	0	0	127.1
219	R	28.9	Very low	29.5	Very low	206 Å²	206	140.6 Å²	140.6	78%	0.777	78%	0.777	S	S	*	*				64.6	115.5	126.6	-64.4	171.3	-154.2	-167.2	17.6	123.2
220	R	28.8	Very low	29.1	Very low	252 Å²	252	139.1 Å²	139.1	95%	0.951	78%	0.775	S	S	*	*				-161.5	166.1	94.4	-98.9	175.1	-171.9	-169.6	2.8	111.1
221	A	28.5	Very low	28.9	Very low	94 Å²	94	144.6 Å²	144.6	78%	0.777	79%	0.786	S	S	*	*			trans	-159.7	-169.5	-172.3	0	0	0	0	0	109.6
222	P	37.8	Very low	28.6	Very low	113 Å²	113	145.2 Å²	145.2	73%	0.734	79%	0.79	S	S	*	*			cis	-135.5	-161.5	-16.9	40.3	-21.5	0	0	0	113.7
223	S	29.5	Very low	28.3	Very low	109 Å²	109	147.8 Å²	147.8	76%	0.762	79%	0.787	S	S	*	*			trans	79.3	149.3	156.9	76.2	0	0	0	0	120
224	S	26.4	Very low	27.9	Very low	97 Å²	97	150.8 Å²	150.8	68%	0.678	79%	0.791	S	S	*	*			cis	-167.1	163.2	-24.4	53.5	0	0	0	0	113
225	L	26.2	Very low	27.4	Very low	157 Å²	157	151.1 Å²	151.1	82%	0.822	79%	0.785	S	S	*	*			trans	74.5	150.6	152.8	-76.9	159.3	0	0	0	123.6
226	Q	29.6	Very low	26.7	Very low	164 Å²	164	153 Å²	153	77%	0.766	78%	0.784	S	S	*	*			trans	69	92.3	155.8	-75.6	174.3	-50.7	0	0	123.8
227	Q	26.7	Very low	26.7	Very low	170 Å²	170	155.1 Å²	155.1	79%	0.794	79%	0.792	S	S	*	*				40.9	102.3	118.8	-64.4	179.5	-16.6	0	0	121.9
228	S	22.7	Very low	26.4	Very low	111 Å²	111	156.3 Å²	156.3	78%	0.776	80%	0.797	S	S	*	*				64.5	175.1	128.8	79.6	0	0	0	0	120.9
229	P	30.1	Very low	26.1	Very low	119 Å²	119	155.1 Å²	155.1	77%	0.773	81%	0.809	S	S	*	*			cis	-123.2	-169.4	-14	41.2	-26.3	0	0	0	113.4
230	L	21.7	Very low	26.1	Very low	171 Å²	171	155.6 Å²	155.6	90%	0.895	82%	0.817	S	S	*	*			trans	-49.6	146	173.3	-70.1	147.5	0	0	0	114.6
231	K	24.7	Very low	25.9	Very low	210 Å²	210	155.5 Å²	155.5	91%	0.913	82%	0.817	S	S	*	*			trans	-137.9	133.4	158.1	-99.3	-179	178.8	174.1	0	112.8
232	V	21	Very low	25.7	Very low	135 Å²	135	157.6 Å²	157.6	82%	0.818	82%	0.819	S	S	*	*			trans	-71	149.5	173.5	176.3	0	0	0	0	110.2	V234	V232-V234 HydrophobicContact CG1-CG2 4.34Å
233	R	24.4	Very low	25.2	Very low	222 Å²	222	160.8 Å²	160.8	84%	0.838	82%	0.824	S	S	*	*			trans	-123.3	99.3	169.2	-152.8	176.8	-163.3	-168.5	5.4	111.7	I235	R233-I235 HydrophobicContact CG-CD1 4.5Å; R233-I235 HydrophobicContact CG-CG1 4.3Å
234	V	19.4	Very low	25	Very low	130 Å²	130	164 Å²	164	79%	0.788	83%	0.827	S	S	*	*			trans	-75.4	135.1	165.8	177.7	0	0	0	0	108.5	V232	V232-V234 HydrophobicContact CG1-CG2 4.34Å
235	I	26.3	Very low	24.9	Very low	130 Å²	130	165 Å²	165	67%	0.667	83%	0.829	S	S	*	*			trans	-136.1	114.4	169.5	-57.7	-179.4	0	0	0	108.9	R233	R233-I235 HydrophobicContact CG-CD1 4.5Å; R233-I235 HydrophobicContact CG-CG1 4.3Å
236	R	20	Very low	25	Very low	243 Å²	243	164.4 Å²	164.4	92%	0.917	83%	0.827	S	S	*	*			trans	-156.2	90.5	166.7	-154.5	179.1	-163.1	-173.6	6.2	111.1
237	T	28	Very low	25	Very low	137 Å²	137	162.8 Å²	162.8	84%	0.84	83%	0.828	S	S	*	*			trans	-123.6	152.1	168.2	44.1	0	0	0	0	110.1
238	K	23.3	Very low	25.3	Very low	212 Å²	212	160.8 Å²	160.8	92%	0.922	83%	0.829	S	S	*	*			trans	-94.5	141.5	-164.8	-61.7	174.4	-178.6	173.1	0	112.2
239	G	23.6	Very low	25.5	Very low	76 Å²	76	161.3 Å²	161.3	78%	0.784	83%	0.828	S	S	*	*			trans	73.6	131.2	136.9	0	0	0	0	0	119.4
240	K	29.3	Very low	25.7	Very low	216 Å²	216	165 Å²	165	94%	0.939	84%	0.835	S	S	*	*			trans	-137.1	137.8	142.8	-97.7	-171.2	173	-172.3	0	109.1
241	R	25.7	Very low	26.2	Very low	250 Å²	250	162.6 Å²	162.6	94%	0.943	83%	0.827	S	S	*	*			trans	-93.9	159.2	166.1	-158.1	176.7	-172.3	-178.4	1	107.8
242	V	23.7	Very low	27.2	Very low	137 Å²	137	158 Å²	158	83%	0.83	82%	0.819	S	S	*	*			trans	-91.2	130.5	-168.8	179	0	0	0	0	112.3
243	E	27.4	Very low	28.2	Very low	180 Å²	180	157 Å²	157	84%	0.841	82%	0.815	S	S	*	*			trans	-164.7	152	161.9	-97.4	161.8	-142.8	0	0	105.5
244	Q	23.9	Very low	28.5	Very low	176 Å²	176	151.7 Å²	151.7	82%	0.822	81%	0.812	S	S	*	*			cis	-158.2	-161	-40.3	-154.4	176.4	-2.6	0	0	105.3
245	V	26.3	Very low	29.1	Very low	119 Å²	119	151.8 Å²	151.8	72%	0.721	81%	0.813	S	S	*	*			trans	69.9	127.2	167.9	-175	0	0	0	0	114.6
246	D	27.6	Very low	29.4	Very low	144 Å²	144	151.6 Å²	151.6	77%	0.77	82%	0.818	S	S	*	*			cis	-151.8	155.1	-4.4	-103.5	-11.6	0	0	0	110.4
247	V	28.5	Very low	30.1	Very low	130 Å²	130	145.7 Å²	145.7	79%	0.788	81%	0.811	S	S	*	*			trans	-144.9	131.9	162.3	-178.4	0	0	0	0	108.5
248	P	33.9	Very low	30.2	Very low	128 Å²	128	145.1 Å²	145.1	83%	0.831	80%	0.803	S	S	*	*			trans	-78	169.4	-175.5	31.6	-36.2	0	0	0	114.5
249	V	27.3	Very low	30.5	Very low	123 Å²	123	142.6 Å²	142.6	75%	0.745	79%	0.792	S	S	*	*			trans	-110.1	143.6	-167.6	173.5	0	0	0	0	112.1	T251	V249-T251 HydrophobicContact CG1-CG2 4.1Å
250	E	33.3	Very low	30.5	Very low	196 Å²	196	145.5 Å²	145.5	92%	0.916	79%	0.794	S	S	*	*			trans	-151.6	162.3	143.9	-121.8	170.3	-148	0	0	110.8
251	T	33.5	Very low	30.4	Very low	120 Å²	120	142.8 Å²	142.8	74%	0.736	79%	0.79	S	S	*	*			trans	-129.5	161.1	-149	33	0	0	0	0	116.6	V249	V249-T251 HydrophobicContact CG1-CG2 4.1Å
252	P	45	Very low	30.3	Very low	114 Å²	114	137.7 Å²	137.7	74%	0.74	78%	0.777	S	S	*	*			trans	-94.8	-167.4	-172.1	41	-39.1	0	0	0	113.4
253	P	43	Very low	30.4	Very low	113 Å²	113	143 Å²	143	73%	0.734	78%	0.782	S	S	*	*			trans	-147	148	133.6	36.9	-21.6	0	0	0	118.1
254	S	30	Very low	30.1	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	78%	0.777	S	S	*	*			trans	69	155.5	150.4	73.3	0	0	0	0	118.7
255	V	32.2	Very low	30.1	Very low	131 Å²	131	144.4 Å²	144.4	79%	0.794	78%	0.78	S	S	*	*			cis	-127.6	170.4	23.9	174.8	0	0	0	0	113.3
256	T	32.5	Very low	29.9	Very low	126 Å²	126	147.7 Å²	147.7	77%	0.773	79%	0.785	S	S	*	*			trans	-75.3	165.5	-157.7	43.7	0	0	0	0	119.5
257	P	34.4	Very low	29.8	Very low	119 Å²	119	148.8 Å²	148.8	77%	0.773	79%	0.79	S	S	*	*			trans	-102.7	-176.3	-178.4	42.4	-36.9	0	0	0	113.9
258	D	30.2	Very low	29.6	Very low	126 Å²	126	149.3 Å²	149.3	67%	0.674	79%	0.788	S	S	*	*			trans	-147.9	148.7	156.8	-136.3	2.2	0	0	0	116.5
259	K	30.5	Very low	29	Very low	159 Å²	159	150.9 Å²	150.9	69%	0.691	79%	0.788	S	S	*	*			trans	13.9	127.8	161	-66	159.1	-165.2	91	0	120.3
260	V	22.8	Very low	29.1	Very low	137 Å²	137	150.3 Å²	150.3	83%	0.83	79%	0.789	S	S	*	*				68.5	112.3	66.4	175.2	0	0	0	0	114.1
261	D	27.2	Very low	28.6	Very low	158 Å²	158	149.3 Å²	149.3	85%	0.845	79%	0.785	S	S	*	*				-153.2	160.8	128.4	-153.2	-6.7	0	0	0	110.5
262	E	22.7	Very low	28.3	Very low	143 Å²	143	150.7 Å²	150.7	67%	0.668	79%	0.793	S	S	*	*			trans	-97.1	145.7	-177.3	-62.3	-169.4	125.1	0	0	113.1
263	R	25.6	Very low	27.4	Very low	248 Å²	248	148.3 Å²	148.3	94%	0.936	79%	0.789	S	S	*	*			trans	-155.6	123.3	139.5	-113.1	160.2	-149.2	-97.1	-1.5	112.3
264	R	22	Very low	26.5	Very low	197 Å²	197	152.1 Å²	152.1	74%	0.743	80%	0.797	S	S	*	*			trans	-89.8	135.6	169.7	-58.1	172.1	-175	162.4	3	108.7
265	E	24.8	Very low	26.2	Very low	190 Å²	190	156.2 Å²	156.2	89%	0.888	80%	0.8	S	S	*	*			trans	-129.2	107.9	140.9	-78.3	-167	160.4	0	0	108.3
266	F	22	Very low	25.8	Very low	187 Å²	187	155.6 Å²	155.6	82%	0.82	80%	0.797	S	S	*	*			trans	-83.5	143.3	158.1	-86.8	-108.3	0	0	0	107.4
267	L	24.4	Very low	25.3	Very low	167 Å²	167	157.2 Å²	157.2	87%	0.874	80%	0.8	S	S	*	*			trans	-142.7	145.9	162	-114.3	167	0	0	0	109.6
268	D	24.9	Very low	24.7	Very low	142 Å²	142	156.9 Å²	156.9	76%	0.759	80%	0.795	S	S	*	*			trans	-90.3	156	-138.4	-103.8	-51.6	0	0	0	117.3	S270	D268-S270 PolarHBondContact O-N 2.69Å
269	I	21.6	Very low	24.3	Very low	161 Å²	161	156.8 Å²	156.8	83%	0.826	80%	0.799	S	S	*	*			trans	-72.3	114.9	161.2	-60.9	171.4	0	0	0	107.8
270	S	28.1	Very low	23.8	Very low	110 Å²	110	159.8 Å²	159.8	77%	0.769	81%	0.806	S	S	*	*			trans	-126.5	143	160.7	64.9	0	0	0	0	111.2	D268	D268-S270 PolarHBondContact O-N 2.69Å
271	Q	24.2	Very low	23.8	Very low	176 Å²	176	164 Å²	164	82%	0.822	81%	0.809	S	S	*	*			trans	-88.2	138.2	-172.8	-58.1	163.6	-1	0	0	109.8
272	T	26.4	Very low	23.5	Very low	149 Å²	149	162.3 Å²	162.3	91%	0.914	80%	0.804	S	S	*	*			trans	-174.3	140	141.4	15.8	0	0	0	0	113.8
273	G	26	Very low	23.5	Very low	63 Å²	63	166.7 Å²	166.7	65%	0.649	81%	0.814	S	S	*	*			trans	70	90.3	142.5	0	0	0	0	0	118.9	K275	G273-K275 PolarHBondContact O-N 2.95Å
274	H	23.8	Very low	23.4	Very low	193 Å²	193	160.6 Å²	160.6	89%	0.894	80%	0.799	S	S	*	*			trans	-56.6	105	155.5	-74.5	-82.6	0	0	0	110.3	V276	H274-V276 VanDerWaalsContact C-N 3.25Å; H274-V276 PolarHBondContact O-N 2.96Å
275	K	23.8	Very low	23.5	Very low	199 Å²	199	159.3 Å²	159.3	87%	0.865	80%	0.799	S	S	*	*			trans	-73.9	77.8	173.6	-77.2	-176.5	177.5	173.5	0	111.3	G273 L277	G273-K275 PolarHBondContact O-N 2.95Å; K275-L277 PolarHBondContact O-N 3.4Å; K275-L277 VanDerWaalsContact O-N 3.08Å
276	V	23.7	Very low	23.5	Very low	118 Å²	118	156.6 Å²	156.6	72%	0.715	80%	0.798	S	S	*	*			trans	-62	104.7	161.7	178.6	0	0	0	0	107.8	H274 T278	H274-V276 VanDerWaalsContact C-N 3.25Å; H274-V276 PolarHBondContact O-N 2.96Å; V276-T278 VanDerWaalsContact C-N 3.33Å; V276-T278 PolarHBondContact O-N 3.35Å
277	L	21.7	Very low	23.7	Very low	159 Å²	159	151.2 Å²	151.2	83%	0.832	80%	0.795	S	S	*	*			trans	-76.4	84.9	178.1	-83.2	169.7	0	0	0	110.6	K275 V279	K275-L277 PolarHBondContact O-N 3.4Å; K275-L277 VanDerWaalsContact O-N 3.08Å; L277-V279 PolarHBondContact O-N 3.02Å; L277-V279 VanDerWaalsContact O-N 3.08Å
278	T	21.5	Very low	23.9	Very low	112 Å²	112	148 Å²	148	69%	0.687	79%	0.793	S	S	*	*			trans	-62.7	105.5	173	-47	0	0	0	0	110.2	V276 R280	V276-T278 VanDerWaalsContact C-N 3.33Å; V276-T278 PolarHBondContact O-N 3.35Å; T278-R280 PolarHBondContact O-N 3.18Å
279	V	21.6	Very low	24	Very low	125 Å²	125	150.3 Å²	150.3	76%	0.758	80%	0.799	S	S	*	*			trans	-70.1	92	175.3	-178.5	0	0	0	0	109.3	L277 Y281	L277-V279 PolarHBondContact O-N 3.02Å; L277-V279 VanDerWaalsContact O-N 3.08Å; V279-Y281 PolarHBondContact O-N 3.31Å
280	R	20.2	Very low	24.3	Very low	221 Å²	221	147.6 Å²	147.6	83%	0.834	79%	0.794	S	S	*	*			trans	-69.4	125	169	-78.4	-174.5	170.5	-178.9	-2.3	109.4	T278 V282	T278-R280 PolarHBondContact O-N 3.18Å; R280-V282 PolarHBondContact O-N 3.48Å; R280-V282 VanDerWaalsContact O-N 3.14Å
281	Y	22.5	Very low	24.2	Very low	225 Å²	225	149 Å²	149	88%	0.882	80%	0.798	S	S	*	*			trans	-67.3	107.3	169.9	-71.3	-102.1	0	0	0	109.4	V279 R283	V279-Y281 PolarHBondContact O-N 3.31Å; Y281-R283 PolarHBondContact O-N 2.87Å; Y281-R283 VanDerWaalsContact O-N 3.07Å
282	V	21.7	Very low	24.2	Very low	124 Å²	124	146.1 Å²	146.1	75%	0.752	79%	0.792	S	S	*	*			trans	-74.5	98.4	167.4	-178.6	0	0	0	0	108	R280 I284	R280-V282 PolarHBondContact O-N 3.48Å; R280-V282 VanDerWaalsContact O-N 3.14Å; V282-I284 VanDerWaalsContact C-N 3.28Å; V282-I284 HydrophobicContact CG1-CG1 4.02Å; V282-I284 PolarHBondContact O-N 3.19Å
283	R	22.4	Very low	24.2	Very low	234 Å²	234	146.2 Å²	146.2	88%	0.883	79%	0.787	S	S	*	*			trans	-69.9	88.8	166.1	-174.1	-178.1	-169.7	173.9	4.3	107.9	Y281 K285	Y281-R283 PolarHBondContact O-N 2.87Å; Y281-R283 VanDerWaalsContact O-N 3.07Å; R283-K285 PolarHBondContact O-N 2.73Å
284	I	24.4	Very low	24.1	Very low	121 Å²	121	152.4 Å²	152.4	62%	0.621	80%	0.799	S	S	*	*			trans	-60	107.4	173.6	-60.3	176.1	0	0	0	107.5	V282	V282-I284 VanDerWaalsContact C-N 3.28Å; V282-I284 HydrophobicContact CG1-CG1 4.02Å; V282-I284 PolarHBondContact O-N 3.19Å
285	K	23.5	Very low	24.3	Very low	170 Å²	170	147.9 Å²	147.9	74%	0.739	80%	0.795	S	S	*	*			trans	-69	148	159.1	-70.6	-176.2	175.4	-176.3	0	107.9	R283	R283-K285 PolarHBondContact O-N 2.73Å
286	P	25.9	Very low	24.3	Very low	133 Å²	133	147.1 Å²	147.1	86%	0.864	80%	0.795	S	S	*	*	S	Bend	trans	-60.7	140.4	158.3	29.8	-33.4	0	0	0	108.7
287	G	25.7	Very low	24.4	Very low	74 Å²	74	149.6 Å²	149.6	76%	0.763	80%	0.803	S	S	*	*			trans	100.8	83.7	-175	0	0	0	0	0	113.5
288	A	27.8	Very low	24.8	Very low	100 Å²	100	147.7 Å²	147.7	83%	0.826	80%	0.8	S	S	*	*			trans	-163.2	78.2	161.8	0	0	0	0	0	107.2
289	E	27.5	Very low	25	Very low	190 Å²	190	151.1 Å²	151.1	89%	0.888	81%	0.813	S	S	*	*			trans	-69.6	139.1	-179.7	-67	165.6	141.6	0	0	110.2	V291	E289-V291 PolarHBondContact O-N 2.9Å
290	S	27.3	Very low	25.4	Very low	103 Å²	103	150.1 Å²	150.1	72%	0.72	82%	0.818	S	S	*	*			trans	-71.3	119.7	163.4	50.9	0	0	0	0	108	V292	S290-V292 PolarHBondContact O-N 3.48Å
291	V	25.9	Very low	25.8	Very low	140 Å²	140	144.7 Å²	144.7	85%	0.848	82%	0.821	S	S	*	*			trans	-58.2	111.1	173.1	179.3	0	0	0	0	108.7	E289	E289-V291 PolarHBondContact O-N 2.9Å
292	V	25.3	Very low	26	Very low	116 Å²	116	138 Å²	138	70%	0.703	82%	0.821	S	S	*	*			trans	-102.9	140.5	159.9	176.9	0	0	0	0	105.4	S290 Q294	S290-V292 PolarHBondContact O-N 3.48Å; V292-Q294 PolarHBondContact O-N 3.23Å
293	D	25.7	Very low	26.2	Very low	151 Å²	151	135.7 Å²	135.7	81%	0.807	82%	0.822	S	S	*	*			trans	-55.6	136.1	-174.8	-67.4	-63.2	0	0	0	112.4	A295	D293-A295 PolarHBondContact O-N 2.94Å
294	Q	24.6	Very low	26.4	Very low	192 Å²	192	129.8 Å²	129.8	90%	0.897	82%	0.822	S	S	*	*			trans	-74	107.9	-176.2	-69.6	177.7	-36.1	0	0	110.6	V292	V292-Q294 PolarHBondContact O-N 3.23Å
295	A	27.2	Very low	26.5	Very low	98 Å²	98	132.7 Å²	132.7	81%	0.81	83%	0.833	S	S	*	*			trans	-96.9	110.9	156.5	0	0	0	0	0	108.1	D293	D293-A295 PolarHBondContact O-N 2.94Å
296	E	24.4	Very low	26.7	Very low	184 Å²	184	131.7 Å²	131.7	86%	0.86	84%	0.836	S	S	*	*			trans	-70.6	130.8	-177.5	-60.1	-179.7	119.7	0	0	111.9
297	L	26.3	Very low	26.8	Very low	169 Å²	169	134.4 Å²	134.4	89%	0.885	84%	0.837	S	S	*	*			trans	-136.6	141.4	153.6	-79.2	179.3	0	0	0	109.5
298	P	28.9	Very low	27.2	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	83%	0.831	S	S	*	*			trans	-88.6	163.3	-158	34.3	-37.9	0	0	0	115.2
299	L	25.5	Very low	27.6	Very low	183 Å²	183	134.9 Å²	134.9	96%	0.958	82%	0.822	S	S	*	*			trans	-61.5	128.6	173.6	-73.7	147.2	0	0	0	112.5
300	A	31.3	Very low	28.5	Very low	104 Å²	104	132.5 Å²	132.5	86%	0.86	81%	0.812	S	S	*	*			trans	-129.7	149.5	159.6	0	0	0	0	0	108.8
301	A	28.1	Very low	29.7	Very low	108 Å²	108	134.2 Å²	134.2	89%	0.893	81%	0.808	S	S	*	*			trans	-111.9	156.4	-161.5	0	0	0	0	0	114.5
302	G	25.7	Very low	31.2	Very low	85 Å²	85	132 Å²	132	88%	0.876	80%	0.795	S	S	*	*			trans	99.6	114.4	160.6	0	0	0	0	0	115.3
303	G	27.5	Very low	33.2	Very low	75 Å²	75	127.5 Å²	127.5	77%	0.773	77%	0.766	S	S	*	*			trans	158	103.8	172.1	0	0	0	0	0	112.1	Q305	G303-Q305 PolarHBondContact O-N 2.93Å
304	A	25.8	Very low	35.6	Very low	109 Å²	109	122.4 Å²	122.4	90%	0.901	74%	0.743	S	S	*	*			trans	-78.9	117.6	170.1	0	0	0	0	0	109.3
305	Q	27.5	Very low	38.2	Very low	182 Å²	182	114.6 Å²	114.6	85%	0.85	71%	0.707	S	S	*	*			trans	-138	152.6	170.6	-74	-164.7	-25.2	0	0	110.4	G303 H307	G303-Q305 PolarHBondContact O-N 2.93Å; Q305-H307 PolarHBondContact O-N 2.9Å
306	D	26.4	Very low	40.7	Very low	150 Å²	150	116.3 Å²	116.3	80%	0.802	69%	0.692	S	S	*	*			trans	-58.9	126.8	-164.4	-73.7	-71.5	0	0	0	114.9	S308	D306-S308 PolarHBondContact O-N 3Å
307	H	29.4	Very low	43.3	Very low	190 Å²	190	109.7 Å²	109.7	88%	0.88	66%	0.66	S	S	*	*			trans	-72.8	55.6	157	-74.2	-36.5	0	0	0	111.6	Q305 S309	Q305-H307 PolarHBondContact O-N 2.9Å; H307-S309 PolarHBondContact O-N 3.32Å
308	S	33.3	Very low	45.5	Very low	91 Å²	91	107.5 Å²	107.5	64%	0.636	64%	0.64	S	S	*	*			trans	-68.2	83.1	153.5	58.8	0	0	0	0	107.6	D306 Q310	D306-S308 PolarHBondContact O-N 3Å; S308-Q310 VanDerWaalsContact C-N 3.34Å; S308-Q310 PolarHBondContact O-N 2.97Å
309	S	37.2	Very low	47.4	Very low	92 Å²	92	107.9 Å²	107.9	64%	0.643	63%	0.626	S	S	*	*			trans	-67.7	90.2	-175	56.6	0	0	0	0	110	H307 Q311	H307-S309 PolarHBondContact O-N 3.32Å; S309-Q311 PolarHBondContact O-N 3.45Å
310	Q	44.4	Very low	49.3	Very low	141 Å²	141	101.1 Å²	101.1	66%	0.659	59%	0.59	S	S	*	*			trans	-55.9	96.5	177	-71.5	-170.7	9.2	0	0	109.8	S308 V312	S308-Q310 VanDerWaalsContact C-N 3.34Å; S308-Q310 PolarHBondContact O-N 2.97Å; Q310-V312 VanDerWaalsContact C-N 3.31Å; Q310-V312 PolarHBondContact O-N 3.34Å
311	Q	53.1	Low	50.5	Low	139 Å²	139	103.1 Å²	103.1	65%	0.65	58%	0.579	S	S	*	*			trans	-72	90	175.5	-68.3	-167.2	10.5	0	0	108.8	S309 L313	S309-Q311 PolarHBondContact O-N 3.45Å; Q311-L313 PolarHBondContact O-N 2.95Å; Q311-L313 VanDerWaalsContact O-N 3.1Å
312	V	56.7	Low	51.8	Low	93 Å²	93	100.6 Å²	100.6	56%	0.564	56%	0.558	S	S	*	*			trans	-55.4	118.5	177	-179.1	0	0	0	0	109	Q310 S314	Q310-V312 VanDerWaalsContact C-N 3.31Å; Q310-V312 PolarHBondContact O-N 3.34Å; V312-S314 PolarHBondContact O-N 3.47Å
313	L	68.1	Low	52.7	Low	21 Å²	21	106 Å²	106	11%	0.11	56%	0.558	C	S	.	*			trans	-64.2	92.4	-175.5	-172.9	81.7	0	0	0	110.8	Q311 I315 I337 V340 L509 V528	Q311-L313 PolarHBondContact O-N 2.95Å; Q311-L313 VanDerWaalsContact O-N 3.1Å; L313-I315 HydrophobicContact CD2-CD1 3.67Å; L313-I315 HydrophobicContact CD2-CG1 3.7Å; L313-I315 HydrophobicContact CG-CD1 4.46Å; L313-I315 HydrophobicContact CG-CG1 3.97Å; L313-I315 PolarHBondContact O-N 3.12Å; L313-I337 HydrophobicContact CD1-CG2 3.92Å; L313-V340 HydrophobicContact CD1-CG2 3.51Å; L313-L509 HydrophobicContact CD2-CD2 3.77Å; L313-V528 HydrophobicContact CD2-CG2 4.38Å
314	S	75.8	Confident	53.4	Low	44 Å²	44	107.1 Å²	107.1	31%	0.308	55%	0.546	S	S	.	.			trans	-76.7	70.9	-179.1	-169.5	0	0	0	0	111.5	V312 R316 P338	V312-S314 PolarHBondContact O-N 3.47Å; S314-R316 PolarHBondContact O-N 3.17Å; S314-R316 PolarHBondContact OG-NE 3.05Å; S314-R316 PolarHBondContact OG-NH2 2.76Å; S314-P338 WeakPolarHBondContact O-CD 3.42Å
315	I	80.1	Confident	54.3	Low	29 Å²	29	110 Å²	110	15%	0.149	54%	0.54	C	S	.	.			trans	-60.9	129.9	168.2	-58.6	168.2	0	0	0	108.3	L313 V335 V496 L499 L509 F512	L313-I315 HydrophobicContact CD2-CD1 3.67Å; L313-I315 HydrophobicContact CD2-CG1 3.7Å; L313-I315 HydrophobicContact CG-CD1 4.46Å; L313-I315 HydrophobicContact CG-CG1 3.97Å; L313-I315 PolarHBondContact O-N 3.12Å; I315-V335 HydrophobicContact CG2-CG1 3.9Å; I315-V496 HydrophobicContact CG2-CG2 3.89Å; I315-L499 HydrophobicContact CD1-CD1 3.88Å; I315-L509 HydrophobicContact CD1-CD2 3.76Å; I315-F512 HydrophobicContact CD1-CD1 3.83Å; I315-F512 HydrophobicContact CD1-CE1 3.64Å; I315-F512 HydrophobicContact CD1-CZ 4.49Å; I315-F512 HydrophobicContact CG1-CE1 4.17Å; I315-F512 HydrophobicContact CG2-CE1 3.86Å; I315-F512 HydrophobicContact CG2-CZ 3.77Å
316	R	78.8	Confident	55.2	Low	134 Å²	134	111.1 Å²	111.1	51%	0.506	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.8	174.6	-52.9	-175.6	-164.3	-164.4	2.9	110.9	S314 V335 L336	S314-R316 PolarHBondContact O-N 3.17Å; S314-R316 PolarHBondContact OG-NE 3.05Å; S314-R316 PolarHBondContact OG-NH2 2.76Å; R316-V335 CarbonylContact O-C 3.59Å; R316-V335 WeakPolarHBondContact O-CA 3.4Å; R316-L336 HydrophobicContact CB-CB 4.45Å; R316-L336 PolarHBondContact N-O 3.31Å; R316-L336 PolarHBondContact O-N 2.84Å
317	Y	79.9	Confident	56.1	Low	44 Å²	44	109.7 Å²	109.7	17%	0.173	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	120.4	169.9	-164.1	-124.7	0	0	0	109.1	W333 V335 D489 I492 K493	Y317-W333 HydrophobicContact CD1-CD2 4.32Å; Y317-W333 AromaticContact CD1-CE3 3.47Å; Y317-W333 HydrophobicContact CD1-CE3 3.47Å; Y317-W333 VanDerWaalsContact CD1-CE3 3.47Å; Y317-W333 AromaticContact CD1-CZ3 3.97Å; Y317-W333 HydrophobicContact CD1-CZ3 3.97Å; Y317-W333 HydrophobicContact CE1-CB 3.91Å; Y317-W333 AromaticContact CE1-CD2 3.8Å; Y317-W333 HydrophobicContact CE1-CD2 3.8Å; Y317-W333 AromaticContact CE1-CE3 3.42Å; Y317-W333 HydrophobicContact CE1-CE3 3.42Å; Y317-W333 VanDerWaalsContact CE1-CE3 3.42Å; Y317-W333 HydrophobicContact CE1-CG 4.04Å; Y317-W333 HydrophobicContact CE1-CZ3 4.18Å; Y317-W333 HydrophobicContact CE2-CB 3.78Å; Y317-W333 HydrophobicContact CG-CE3 4.24Å; Y317-W333 AromaticContact CZ-CG 3.98Å; Y317-W333 VanDerWaalsContact OH-CB 3.28Å; Y317-W333 WeakPolarHBondContact OH-CB 3.38Å; Y317-V335 HydrophobicContact CD2-CG2 3.77Å; Y317-V335 HydrophobicContact CE2-CG2 4.23Å; Y317-D489 PolarHBondContact OH-O 2.88Å; Y317-D489 PolarHBondContact OH-OD1 2.91Å; Y317-I492 HydrophobicContact CD2-CG2 3.76Å; Y317-I492 HydrophobicContact CE2-CG2 3.54Å; Y317-K493 HydrophobicContact CD1-CB 4.29Å; Y317-K493 HydrophobicContact CD1-CG 4.32Å; Y317-K493 HydrophobicContact CE1-CB 3.75Å; Y317-K493 HydrophobicContact CE1-CD 4.47Å; Y317-K493 HydrophobicContact CE1-CG 3.99Å
318	R	73	Confident	56.9	Low	123 Å²	123	106.7 Å²	106.7	46%	0.464	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	141.3	179	67.9	169.8	-174.3	-179.2	1	112.1	I320 W333 K334 L336	R318-I320 HydrophobicContact CG-CG1 4.08Å; R318-W333 WeakPolarHBondContact O-CA 3.11Å; R318-K334 PolarHBondContact N-O 2.68Å; R318-K334 PolarHBondContact O-N 2.91Å; R318-L336 HydrophobicContact CG-CD1 4.36Å; R318-L336 HydrophobicContact CG-CG 4.29Å
319	R	67.7	Low	57.6	Low	129 Å²	129	110.3 Å²	110.3	49%	0.487	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.7	162.4	-174.4	172.3	56.7	177.6	-4.9	109.5	E331 E332 W333	R319-E331 VanDerWaalsContact CD-CD 3.49Å; R319-E331 WeakPolarHBondContact CD-OE2 3.32Å; R319-E331 HydrophobicContact CG-CB 4.42Å; R319-E331 IonicContact CZ-OE1 3.88Å; R319-E331 IonicContact CZ-OE2 3.03Å; R319-E331 IonicContact NE-OE1 2.75Å; R319-E331 IonicContact NE-OE2 3.57Å; R319-E331 IonicContact NH1-OE1 3.69Å; R319-E331 PolarHBondContact NH1-OE1 2.95Å; R319-E331 IonicContact NH1-OE2 3.93Å; R319-E331 PolarHBondContact NH1-OE2 3Å; R319-E332 CarbonylContact C-O 3.57Å; R319-E332 WeakPolarHBondContact CA-O 3.41Å; R319-W333 HydrophobicContact CB-CD2 3.87Å; R319-W333 HydrophobicContact CB-CE3 3.96Å; R319-W333 HydrophobicContact CB-CH2 3.91Å; R319-W333 HydrophobicContact CB-CZ2 3.8Å; R319-W333 HydrophobicContact CB-CZ3 3.98Å; R319-W333 HydrophobicContact CG-CD2 4.45Å; R319-W333 HydrophobicContact CG-CZ2 4.28Å; R319-W333 VanDerWaalsContact N-CE3 3.27Å
320	I	66.2	Low	58.1	Low	40 Å²	40	112.7 Å²	112.7	21%	0.205	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.5	168.4	-55.4	-170.8	0	0	0	107.2	R318 A322 E332 K334	R318-I320 HydrophobicContact CG-CG1 4.08Å; I320-A322 PolarHBondContact O-N 2.82Å; I320-E332 PolarHBondContact N-O 2.79Å; I320-E332 PolarHBondContact O-N 2.82Å; I320-E332 VanDerWaalsContact O-N 3.11Å; I320-K334 HydrophobicContact CD1-CB 3.89Å; I320-K334 HydrophobicContact CD1-CD 3.63Å; I320-K334 HydrophobicContact CD1-CG 3.73Å; I320-K334 HydrophobicContact CG1-CB 4.45Å; I320-K334 HydrophobicContact CG1-CG 4.39Å
321	K	56.9	Low	58.5	Low	147 Å²	147	110.3 Å²	110.3	64%	0.639	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	114.5	165	-64.7	-166.2	173.8	-163.3	0	107.3	E331	K321-E331 WeakPolarHBondContact CE-OE1 3.47Å; K321-E331 IonicContact NZ-OE1 3.91Å
322	A	53.7	Low	59	Low	54 Å²	54	107.5 Å²	107.5	45%	0.446	51%	0.509	S	S	.	.			trans	-56.8	148.3	168	0	0	0	0	0	109.1	I320	I320-A322 PolarHBondContact O-N 2.82Å
323	K	46.2	Very low	59.6	Low	200 Å²	200	108.3 Å²	108.3	87%	0.87	50%	0.503	S	S	*	.			trans	-66.6	140.4	169.2	-84.9	-174	173	-178.3	0	108.6	H325	K323-H325 PolarHBondContact O-N 2.8Å
324	D	42.2	Very low	60	Low	98 Å²	98	111.2 Å²	111.2	52%	0.524	51%	0.514	S	S	.	.			trans	-54.5	95.2	178.6	-78.7	-67.8	0	0	0	112.1	K329	D324-K329 WeakPolarHBondContact OD1-CE 3.42Å; D324-K329 WeakPolarHBondContact OD1-CG 3.34Å; D324-K329 WeakPolarHBondContact OD2-CE 3.29Å; D324-K329 IonicContact OD2-NZ 3.84Å; D324-K329 PolarHBondContact OD2-NZ 3.14Å
325	H	44	Very low	60.1	Low	168 Å²	168	109.4 Å²	109.4	78%	0.778	50%	0.501	S	S	*	.			trans	-71.3	132.8	148.9	-88.2	-102.4	0	0	0	107.3	K323 S327	K323-H325 PolarHBondContact O-N 2.8Å; H325-S327 PolarHBondContact O-N 2.82Å; H325-S327 VanDerWaalsContact O-N 3.17Å
326	K	46.2	Very low	60.1	Low	206 Å²	206	111.1 Å²	111.1	90%	0.896	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48	120.4	-163.4	-62.4	171.8	-177.4	171.6	0	111.8
327	S	45.4	Very low	60.1	Low	120 Å²	120	105.3 Å²	105.3	84%	0.839	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-21.2	168.4	79.4	0	0	0	0	120.6	H325	H325-S327 PolarHBondContact O-N 2.82Å; H325-S327 VanDerWaalsContact O-N 3.17Å
328	Q	46.2	Very low	59.6	Low	128 Å²	128	105.6 Å²	105.6	60%	0.598	50%	0.497	S	S	*	.			trans	-137.9	121.9	178.4	-72.5	-173.9	-36.4	0	0	114.7	F330	Q328-F330 HydrophobicContact CB-CD2 4.02Å; Q328-F330 HydrophobicContact CB-CE2 3.49Å; Q328-F330 VanDerWaalsContact CB-CE2 3.49Å; Q328-F330 HydrophobicContact CB-CZ 4.08Å; Q328-F330 HydrophobicContact CG-CE2 4.32Å; Q328-F330 PolarHBondContact O-N 2.97Å; Q328-F330 VanDerWaalsContact OE1-CE2 3.28Å
329	K	48.5	Very low	59.1	Low	166 Å²	166	108.3 Å²	108.3	72%	0.722	51%	0.512	S	S	*	.			trans	-85.9	94.1	172	-75.6	179.9	177.3	170.4	0	110.8	D324	D324-K329 WeakPolarHBondContact OD1-CE 3.42Å; D324-K329 WeakPolarHBondContact OD1-CG 3.34Å; D324-K329 WeakPolarHBondContact OD2-CE 3.29Å; D324-K329 IonicContact OD2-NZ 3.84Å; D324-K329 PolarHBondContact OD2-NZ 3.14Å
330	F	47	Very low	58.8	Low	142 Å²	142	103.8 Å²	103.8	62%	0.623	50%	0.498	S	S	*	.			trans	-84.4	137.7	167.4	-67.7	-74.6	0	0	0	111.2	Q328	Q328-F330 HydrophobicContact CB-CD2 4.02Å; Q328-F330 HydrophobicContact CB-CE2 3.49Å; Q328-F330 VanDerWaalsContact CB-CE2 3.49Å; Q328-F330 HydrophobicContact CB-CZ 4.08Å; Q328-F330 HydrophobicContact CG-CE2 4.32Å; Q328-F330 PolarHBondContact O-N 2.97Å; Q328-F330 VanDerWaalsContact OE1-CE2 3.28Å
331	E	53.7	Low	58	Low	91 Å²	91	106.3 Å²	106.3	43%	0.425	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	105.4	174.3	-60.6	-150.5	135.4	0	0	109.2	R319 K321	R319-E331 VanDerWaalsContact CD-CD 3.49Å; R319-E331 WeakPolarHBondContact CD-OE2 3.32Å; R319-E331 HydrophobicContact CG-CB 4.42Å; R319-E331 IonicContact CZ-OE1 3.88Å; R319-E331 IonicContact CZ-OE2 3.03Å; R319-E331 IonicContact NE-OE1 2.75Å; R319-E331 IonicContact NE-OE2 3.57Å; R319-E331 IonicContact NH1-OE1 3.69Å; R319-E331 PolarHBondContact NH1-OE1 2.95Å; R319-E331 IonicContact NH1-OE2 3.93Å; R319-E331 PolarHBondContact NH1-OE2 3Å; K321-E331 WeakPolarHBondContact CE-OE1 3.47Å; K321-E331 IonicContact NZ-OE1 3.91Å
332	E	63.7	Low	57.8	Low	80 Å²	80	101.3 Å²	101.3	37%	0.374	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	144	178.3	-171.8	-174	-150	0	0	109.7	R319 I320 K334	R319-E332 CarbonylContact C-O 3.57Å; R319-E332 WeakPolarHBondContact CA-O 3.41Å; I320-E332 PolarHBondContact N-O 2.79Å; I320-E332 PolarHBondContact O-N 2.82Å; I320-E332 VanDerWaalsContact O-N 3.11Å; E332-K334 HydrophobicContact CG-CG 4.34Å; E332-K334 IonicContact OE1-NZ 2.71Å; E332-K334 PolarHBondContact OE1-NZ 2.98Å; E332-K334 WeakPolarHBondContact OE2-CE 3.35Å; E332-K334 IonicContact OE2-NZ 3.59Å; E332-K334 PolarHBondContact OE2-NZ 2.83Å
333	W	68.5	Low	57.4	Low	111 Å²	111	105.8 Å²	105.8	42%	0.42	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.9	168.7	-69	77.6	0	0	0	109.6	Y317 R318 R319	Y317-W333 HydrophobicContact CD1-CD2 4.32Å; Y317-W333 AromaticContact CD1-CE3 3.47Å; Y317-W333 HydrophobicContact CD1-CE3 3.47Å; Y317-W333 VanDerWaalsContact CD1-CE3 3.47Å; Y317-W333 AromaticContact CD1-CZ3 3.97Å; Y317-W333 HydrophobicContact CD1-CZ3 3.97Å; Y317-W333 HydrophobicContact CE1-CB 3.91Å; Y317-W333 AromaticContact CE1-CD2 3.8Å; Y317-W333 HydrophobicContact CE1-CD2 3.8Å; Y317-W333 AromaticContact CE1-CE3 3.42Å; Y317-W333 HydrophobicContact CE1-CE3 3.42Å; Y317-W333 VanDerWaalsContact CE1-CE3 3.42Å; Y317-W333 HydrophobicContact CE1-CG 4.04Å; Y317-W333 HydrophobicContact CE1-CZ3 4.18Å; Y317-W333 HydrophobicContact CE2-CB 3.78Å; Y317-W333 HydrophobicContact CG-CE3 4.24Å; Y317-W333 AromaticContact CZ-CG 3.98Å; Y317-W333 VanDerWaalsContact OH-CB 3.28Å; Y317-W333 WeakPolarHBondContact OH-CB 3.38Å; R318-W333 WeakPolarHBondContact O-CA 3.11Å; R319-W333 HydrophobicContact CB-CD2 3.87Å; R319-W333 HydrophobicContact CB-CE3 3.96Å; R319-W333 HydrophobicContact CB-CH2 3.91Å; R319-W333 HydrophobicContact CB-CZ2 3.8Å; R319-W333 HydrophobicContact CB-CZ3 3.98Å; R319-W333 HydrophobicContact CG-CD2 4.45Å; R319-W333 HydrophobicContact CG-CZ2 4.28Å; R319-W333 VanDerWaalsContact N-CE3 3.27Å
334	K	76.2	Confident	57.1	Low	82 Å²	82	100.6 Å²	100.6	36%	0.357	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131.9	174.4	-61.9	-162	-162.6	-76.5	0	110.5	R318 I320 E332	R318-K334 PolarHBondContact N-O 2.68Å; R318-K334 PolarHBondContact O-N 2.91Å; I320-K334 HydrophobicContact CD1-CB 3.89Å; I320-K334 HydrophobicContact CD1-CD 3.63Å; I320-K334 HydrophobicContact CD1-CG 3.73Å; I320-K334 HydrophobicContact CG1-CB 4.45Å; I320-K334 HydrophobicContact CG1-CG 4.39Å; E332-K334 HydrophobicContact CG-CG 4.34Å; E332-K334 IonicContact OE1-NZ 2.71Å; E332-K334 PolarHBondContact OE1-NZ 2.98Å; E332-K334 WeakPolarHBondContact OE2-CE 3.35Å; E332-K334 IonicContact OE2-NZ 3.59Å; E332-K334 PolarHBondContact OE2-NZ 2.83Å
335	V	78	Confident	56.9	Low	5 Å²	5	100.1 Å²	100.1	3%	0.03	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	130.2	157.6	-177.7	0	0	0	0	108.1	I315 R316 Y317 I337 I492 F512 R521	I315-V335 HydrophobicContact CG2-CG1 3.9Å; R316-V335 CarbonylContact O-C 3.59Å; R316-V335 WeakPolarHBondContact O-CA 3.4Å; Y317-V335 HydrophobicContact CD2-CG2 3.77Å; Y317-V335 HydrophobicContact CE2-CG2 4.23Å; V335-I337 HydrophobicContact CG1-CD1 4.1Å; V335-I337 HydrophobicContact CG1-CG1 3.6Å; V335-I492 HydrophobicContact CG2-CD1 4.02Å; V335-I492 HydrophobicContact CG2-CG2 3.32Å; V335-F512 HydrophobicContact CG1-CE1 4.4Å; V335-F512 HydrophobicContact CG1-CZ 3.79Å; V335-F512 HydrophobicContact CG2-CE2 4.47Å; V335-F512 HydrophobicContact CG2-CZ 4.07Å; V335-R521 PolarHBondContact O-NH2 3.34Å
336	L	80.9	Confident	56.6	Low	65 Å²	65	94.8 Å²	94.8	34%	0.34	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.4	159.8	-61.7	-178.6	0	0	0	109.3	R316 R318	R316-L336 HydrophobicContact CB-CB 4.45Å; R316-L336 PolarHBondContact N-O 3.31Å; R316-L336 PolarHBondContact O-N 2.84Å; R318-L336 HydrophobicContact CG-CD1 4.36Å; R318-L336 HydrophobicContact CG-CG 4.29Å
337	I	77.7	Confident	56.3	Low	13 Å²	13	87.7 Å²	87.7	7%	0.067	48%	0.475	C	S	.	.			trans	-119.2	125.9	169	-48.6	-165.1	0	0	0	107.3	L313 V335 F512 L516 D524 R527 V528	L313-I337 HydrophobicContact CD1-CG2 3.92Å; V335-I337 HydrophobicContact CG1-CD1 4.1Å; V335-I337 HydrophobicContact CG1-CG1 3.6Å; I337-F512 HydrophobicContact CD1-CE1 4.09Å; I337-L516 HydrophobicContact CD1-CD1 3.67Å; I337-D524 HydrophobicContact CD1-CB 3.8Å; I337-D524 HydrophobicContact CG1-CB 4.41Å; I337-R527 HydrophobicContact CG2-CB 4.12Å; I337-R527 PolarHBondContact O-NH1 3.48Å; I337-V528 HydrophobicContact CD1-CG2 3.51Å; I337-V528 HydrophobicContact CG2-CG2 4.47Å
338	P	70.5	Confident	55.9	Low	50 Å²	50	84.2 Å²	84.2	33%	0.325	46%	0.459	S	S	.	.			trans	-54.1	157.6	175.1	-25.9	35.2	0	0	0	111.8	S314 V340 R527	S314-P338 WeakPolarHBondContact O-CD 3.42Å; P338-V340 PolarHBondContact O-N 2.83Å; P338-R527 WeakPolarHBondContact O-CD 3.49Å
339	K	62.5	Low	55.5	Low	180 Å²	180	82 Å²	82	78%	0.783	46%	0.458	S	S	*	.			trans	-68.3	104.9	166.3	-79.1	-165.2	172.5	-166.8	0	108.4
340	V	60.6	Low	55	Low	33 Å²	33	76.4 Å²	76.4	20%	0.2	44%	0.442	C	S	.	.			trans	-88.3	129	162.5	-177	0	0	0	0	107.2	L313 P338 R527	L313-V340 HydrophobicContact CD1-CG2 3.51Å; P338-V340 PolarHBondContact O-N 2.83Å; V340-R527 HydrophobicContact CB-CB 4.48Å
341	S	50.5	Low	54.8	Low	93 Å²	93	71.9 Å²	71.9	65%	0.65	42%	0.424	S	S	*	.			trans	-125.6	120	172.4	53.2	0	0	0	0	108.3
342	L	51.2	Low	54	Low	42 Å²	42	71.6 Å²	71.6	22%	0.22	44%	0.437	C	S	.	.			trans	-64.8	145.3	169.6	-100.6	66	0	0	0	110.1	S344 M347 L530	L342-S344 PolarHBondContact O-N 3.22Å; L342-M347 HydrophobicContact CD2-CE 3.52Å; L342-M347 HydrophobicContact CD2-SD 3.66Å; L342-L530 HydrophobicContact CD1-CB 3.69Å; L342-L530 HydrophobicContact CD1-CD1 4.28Å; L342-L530 HydrophobicContact CD1-CD2 3.79Å; L342-L530 HydrophobicContact CD1-CG 4.12Å; L342-L530 HydrophobicContact CD2-CD2 3.9Å; L342-L530 HydrophobicContact CG-CD2 4.46Å
343	N	45.2	Very low	53	Low	148 Å²	148	74.6 Å²	74.6	79%	0.791	45%	0.449	S	S	*	.			trans	-71	82.2	161.3	-76	-22.1	0	0	0	108.9	A345 G346	N343-A345 PolarHBondContact O-N 3.46Å; N343-G346 PolarHBondContact O-N 3.32Å
344	S	41.3	Very low	51.8	Low	91 Å²	91	74.8 Å²	74.8	64%	0.636	46%	0.458	S	S	*	.	H	α-helix	trans	-54.8	-20	-177.7	52.8	0	0	0	0	114.3	L342 G346 M347 G348	L342-S344 PolarHBondContact O-N 3.22Å; S344-G346 PolarHBondContact O-N 2.94Å; S344-M347 PolarHBondContact O-N 3.01Å; S344-M347 VanDerWaalsContact O-N 3.11Å; S344-G348 PolarHBondContact O-N 2.87Å
345	A	36.8	Very low	50.2	Low	89 Å²	89	76.6 Å²	76.6	74%	0.736	47%	0.472	S	S	*	.	H	α-helix	trans	-50.3	-35.9	170.4	0	0	0	0	0	113.7	N343	N343-A345 PolarHBondContact O-N 3.46Å
346	G	37.5	Very low	49	Very low	55 Å²	55	81 Å²	81	57%	0.567	51%	0.508	S	S	*	.	H	α-helix	trans	-72.6	-41.5	176.5	0	0	0	0	0	113.2	N343 S344	N343-G346 PolarHBondContact O-N 3.32Å; S344-G346 PolarHBondContact O-N 2.94Å
347	M	41.3	Very low	48	Very low	57 Å²	57	80.6 Å²	80.6	28%	0.281	51%	0.506	S	S	.	.	H	α-helix	trans	-72.2	-33.6	-178.2	-80.6	-178.9	166.1	0	0	113.2	L342 S344 S349 A350 L351 F563	L342-M347 HydrophobicContact CD2-CE 3.52Å; L342-M347 HydrophobicContact CD2-SD 3.66Å; S344-M347 PolarHBondContact O-N 3.01Å; S344-M347 VanDerWaalsContact O-N 3.11Å; M347-S349 PolarHBondContact O-N 2.88Å; M347-A350 PolarHBondContact O-N 2.87Å; M347-L351 HydrophobicContact CB-CD1 4.18Å; M347-L351 VanDerWaalsContact O-CD1 3.31Å; M347-L351 WeakPolarHBondContact O-CD1 3.36Å; M347-L351 PolarHBondContact O-N 2.89Å; M347-F563 HydrophobicContact CE-CE1 3.71Å; M347-F563 HydrophobicContact CE-CZ 3.67Å; M347-F563 HydrophobicContact SD-CE1 4.49Å; M347-F563 HydrophobicContact SD-CZ 3.85Å
348	G	37.2	Very low	47.1	Very low	47 Å²	47	85 Å²	85	49%	0.485	53%	0.534	S	S	.	.	H	α-helix	trans	-55.9	-38.6	178.1	0	0	0	0	0	113.2	S344 A352	S344-G348 PolarHBondContact O-N 2.87Å; G348-A352 VanDerWaalsContact O-CB 3.3Å; G348-A352 WeakPolarHBondContact O-CB 3.43Å; G348-A352 PolarHBondContact O-N 3.05Å
349	S	37	Very low	47.5	Very low	83 Å²	83	83.7 Å²	83.7	58%	0.58	52%	0.524	S	S	*	.	H	α-helix	trans	-70.7	-31.5	176.2	-167.9	0	0	0	0	113.1	M347 K353	M347-S349 PolarHBondContact O-N 2.88Å; S349-K353 PolarHBondContact O-N 3.5Å
350	A	38.5	Very low	48.8	Very low	48 Å²	48	80.8 Å²	80.8	40%	0.397	51%	0.511	S	S	.	.	H	α-helix	trans	-77.3	-37.4	176.8	0	0	0	0	0	112.8	M347 K353	M347-A350 PolarHBondContact O-N 2.87Å; A350-K353 CarbonylContact O-C 3.55Å; A350-K353 PolarHBondContact O-N 2.03Å
351	L	41.3	Very low	50.3	Low	46 Å²	46	79.3 Å²	79.3	24%	0.241	50%	0.502	C	S	.	.	H	α-helix	trans	-72.2	-30.3	172.1	-83.2	101.8	0	0	0	112.6	M347 K353 K559	M347-L351 HydrophobicContact CB-CD1 4.18Å; M347-L351 VanDerWaalsContact O-CD1 3.31Å; M347-L351 WeakPolarHBondContact O-CD1 3.36Å; M347-L351 PolarHBondContact O-N 2.89Å; L351-K353 PolarHBondContact O-N 3.01Å; L351-K559 HydrophobicContact CD2-CG 4.09Å
352	A	38	Very low	52.3	Low	85 Å²	85	76.9 Å²	76.9	70%	0.702	48%	0.484	S	S	*	.	H	α-helix	trans	-65.3	-25.7	172.7	0	0	0	0	0	112.6	G348 N354	G348-A352 VanDerWaalsContact O-CB 3.3Å; G348-A352 WeakPolarHBondContact O-CB 3.43Å; G348-A352 PolarHBondContact O-N 3.05Å; A352-N354 PolarHBondContact O-N 3.02Å
353	K	42	Very low	54	Low	143 Å²	143	77.1 Å²	77.1	62%	0.622	49%	0.487	S	S	*	.			trans	-91.6	72.1	169	-69.4	-167	176	-167.5	0	111.3	S349 A350 L351 D355	S349-K353 PolarHBondContact O-N 3.5Å; A350-K353 CarbonylContact O-C 3.55Å; A350-K353 PolarHBondContact O-N 2.03Å; L351-K353 PolarHBondContact O-N 3.01Å; K353-D355 PolarHBondContact O-N 3.38Å
354	N	43.6	Very low	56	Low	115 Å²	115	73.8 Å²	73.8	62%	0.615	47%	0.469	S	S	*	.			trans	-72.2	59.2	157.4	-76.2	-35.2	0	0	0	110.2	A352 A356	A352-N354 PolarHBondContact O-N 3.02Å; N354-A356 PolarHBondContact O-N 3.11Å
355	D	43.2	Very low	57.8	Low	121 Å²	121	74.6 Å²	74.6	65%	0.647	47%	0.472	S	S	*	.			trans	-55.9	128.1	157	-68.9	-40.9	0	0	0	106.5	K353 L357	K353-D355 PolarHBondContact O-N 3.38Å; D355-L357 WeakPolarHBondContact O-CA 3.41Å; D355-L357 PolarHBondContact O-N 3.23Å
356	A	52.4	Low	59.3	Low	96 Å²	96	74.1 Å²	74.1	79%	0.793	45%	0.454	S	S	*	.			trans	-47.7	103.3	-161.5	0	0	0	0	0	112.7	N354 T358	N354-A356 PolarHBondContact O-N 3.11Å; A356-T358 VanDerWaalsContact C-N 3.33Å; A356-T358 PolarHBondContact O-N 3.21Å
357	L	60	Low	60.4	Low	57 Å²	57	79.1 Å²	79.1	30%	0.298	46%	0.46	S	S	.	.			trans	-83.5	81	-160.3	-155.5	151.3	0	0	0	109.3	D355 M359 A565	D355-L357 WeakPolarHBondContact O-CA 3.41Å; D355-L357 PolarHBondContact O-N 3.23Å; L357-M359 PolarHBondContact O-N 3.12Å; L357-A565 HydrophobicContact CD2-CB 3.51Å
358	T	58.7	Low	60.7	Low	105 Å²	105	81.2 Å²	81.2	64%	0.644	48%	0.476	S	S	*	.			trans	-49.2	123	-171.4	56.3	0	0	0	0	111.3	A356 K360	A356-T358 VanDerWaalsContact C-N 3.33Å; A356-T358 PolarHBondContact O-N 3.21Å; T358-K360 PolarHBondContact O-N 2.79Å
359	M	78.6	Confident	61.3	Low	23 Å²	23	83.7 Å²	83.7	11%	0.113	48%	0.478	C	S	.	.			trans	-73.2	46.6	-178.4	-61.4	-62.4	168.5	0	0	112.8	L357 I561 A565 L584 L588 E596 L600	L357-M359 PolarHBondContact O-N 3.12Å; M359-I561 HydrophobicContact CE-CG2 4.31Å; M359-A565 HydrophobicContact SD-CB 4.08Å; M359-L584 HydrophobicContact SD-CD2 4.4Å; M359-L588 HydrophobicContact CE-CD1 4.01Å; M359-L588 HydrophobicContact CE-CD2 3.85Å; M359-L588 HydrophobicContact SD-CD1 4.11Å; M359-E596 WeakPolarHBondContact CE-OE2 3.04Å; M359-L600 HydrophobicContact CB-CB 4.24Å; M359-L600 HydrophobicContact CB-CD1 4.29Å
360	K	89.3	Confident	61.6	Low	120 Å²	120	81.5 Å²	81.5	52%	0.522	47%	0.465	S	S	.	.			trans	-78.8	131.4	-179.4	-178.4	176.9	179.2	179	0	110.1	T358 A569	T358-K360 PolarHBondContact O-N 2.79Å; K360-A569 WeakPolarHBondContact O-CA 3.42Å; K360-A569 PolarHBondContact O-N 3.42Å
361	I	91.8	Very high	61.9	Low	2 Å²	2	80.8 Å²	80.8	1%	0.01	46%	0.455	C	S	.	.			trans	-100.8	129.8	171	-59.3	171.5	0	0	0	108.1	V363 L568 V581 L600 E603 A604 H607 I609	I361-V363 HydrophobicContact CG2-CG2 4.07Å; I361-L568 HydrophobicContact CG1-CD1 4.36Å; I361-V581 HydrophobicContact CD1-CG2 3.69Å; I361-L600 HydrophobicContact CD1-CD1 4.01Å; I361-L600 HydrophobicContact CG1-CD1 4.16Å; I361-E603 HydrophobicContact CB-CG 3.96Å; I361-E603 HydrophobicContact CD1-CB 4.3Å; I361-E603 HydrophobicContact CD1-CG 3.94Å; I361-E603 HydrophobicContact CG1-CG 3.81Å; I361-A604 HydrophobicContact CD1-CB 3.74Å; I361-H607 PolarHBondContact O-CE1 3.23Å; I361-H607 PolarHBondContact O-NE2 3.11Å; I361-H607 VanDerWaalsContact O-NE2 3.09Å; I361-I609 HydrophobicContact CD1-CD1 4.14Å; I361-I609 HydrophobicContact CG2-CD1 3.84Å
362	T	92.6	Very high	62.1	Low	42 Å²	42	81.6 Å²	81.6	26%	0.258	46%	0.457	S	S	.	.			trans	-105.1	106.4	169.1	-62.7	0	0	0	0	107.9	L568 A569 G571 V572	T362-L568 PolarHBondContact N-O 2.92Å; T362-A569 WeakPolarHBondContact CB-O 3.47Å; T362-A569 PolarHBondContact OG1-O 2.92Å; T362-G571 CarbonylContact O-C 3.6Å; T362-G571 VanDerWaalsContact O-CA 3.29Å; T362-G571 WeakPolarHBondContact O-CA 3.25Å; T362-V572 PolarHBondContact O-N 3.1Å
363	V	88.4	Confident	62.4	Low	47 Å²	47	82 Å²	82	29%	0.285	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	122	171.7	176	0	0	0	0	109.6	I361 V572 I574 H607 I609	I361-V363 HydrophobicContact CG2-CG2 4.07Å; V363-V572 WeakPolarHBondContact CA-O 3.3Å; V363-I574 HydrophobicContact CG1-CB 4.01Å; V363-H607 HydrophobicContact CG2-CB 3.76Å; V363-I609 HydrophobicContact CG2-CD1 4.04Å
364	L	86.4	Confident	62.8	Low	78 Å²	78	81.2 Å²	81.2	41%	0.408	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	144.2	167.5	-64.3	175.8	0	0	0	109.2	V572	L364-V572 PolarHBondContact N-O 3.47Å
365	P	79.2	Confident	63.1	Low	108 Å²	108	76.3 Å²	76.3	70%	0.701	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-55	146.1	172.8	25.6	-34.7	0	0	0	109.8	K367	P365-K367 PolarHBondContact O-N 3.36Å
366	E	68.4	Low	63.3	Low	79 Å²	79	73.7 Å²	73.7	37%	0.369	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-59.4	128.8	169	-61.4	-144.8	145	0	0	108.6	V368 I574 K575	E366-V368 PolarHBondContact O-N 3.21Å; E366-V368 VanDerWaalsContact O-N 3.1Å; E366-I574 HydrophobicContact CG-CG2 4.15Å; E366-I574 WeakPolarHBondContact OE1-CG2 3.39Å; E366-K575 VanDerWaalsContact CD-NZ 3.33Å; E366-K575 WeakPolarHBondContact OE1-CD 3.21Å; E366-K575 WeakPolarHBondContact OE1-CE 3.44Å; E366-K575 WeakPolarHBondContact OE1-CG 3.43Å; E366-K575 IonicContact OE1-NZ 2.73Å; E366-K575 PolarHBondContact OE1-NZ 3.38Å; E366-K575 VanDerWaalsContact OE2-CE 3.29Å; E366-K575 WeakPolarHBondContact OE2-CE 3.37Å; E366-K575 IonicContact OE2-NZ 3.01Å; E366-K575 PolarHBondContact OE2-NZ 2.97Å
367	K	59.8	Low	63.3	Low	160 Å²	160	73.4 Å²	73.4	70%	0.696	38%	0.382	S	S	*	.			trans	-71.3	106.2	158.9	-65.8	177.9	-179.1	176.6	0	103.2	P365 D369	P365-K367 PolarHBondContact O-N 3.36Å; K367-D369 PolarHBondContact O-N 3.36Å
368	V	49	Very low	63.1	Low	100 Å²	100	70.8 Å²	70.8	61%	0.606	37%	0.369	S	S	*	.			trans	-38.3	126.2	160.2	177.1	0	0	0	0	105.9	E366 A370 E373	E366-V368 PolarHBondContact O-N 3.21Å; E366-V368 VanDerWaalsContact O-N 3.1Å; V368-A370 VanDerWaalsContact O-CA 3.3Å; V368-A370 WeakPolarHBondContact O-CA 3.44Å; V368-A370 WeakPolarHBondContact O-CB 3.34Å; V368-A370 PolarHBondContact O-N 2.99Å; V368-E373 HydrophobicContact CG1-CG 4.4Å
369	D	49.8	Very low	62.7	Low	99 Å²	99	68.4 Å²	68.4	53%	0.529	36%	0.355	S	S	.	.			trans	-61.5	86.8	-156.8	-98.3	-59	0	0	0	111.2	K367 L371 E372 E373	K367-D369 PolarHBondContact O-N 3.36Å; D369-L371 PolarHBondContact O-N 2.91Å; D369-E372 WeakPolarHBondContact O-CB 3.32Å; D369-E372 PolarHBondContact O-N 3.38Å; D369-E373 PolarHBondContact O-N 3.04Å
370	A	42.3	Very low	61.7	Low	37 Å²	37	71 Å²	71	31%	0.306	38%	0.375	S	S	.	.	H	α-helix	trans	-71.1	-9.6	-157.6	0	0	0	0	0	112	V368 R374	V368-A370 VanDerWaalsContact O-CA 3.3Å; V368-A370 WeakPolarHBondContact O-CA 3.44Å; V368-A370 WeakPolarHBondContact O-CB 3.34Å; V368-A370 PolarHBondContact O-N 2.99Å; A370-R374 WeakPolarHBondContact O-CB 3.35Å; A370-R374 WeakPolarHBondContact O-CD 3.49Å; A370-R374 WeakPolarHBondContact O-CG 3.21Å; A370-R374 PolarHBondContact O-N 2.69Å
371	L	45	Very low	60.4	Low	34 Å²	34	67.5 Å²	67.5	18%	0.178	36%	0.362	C	S	.	.	H	α-helix	trans	-73.3	-40.4	170	-152.1	86.7	0	0	0	111.8	D369 R374 T375 H476 R477	D369-L371 PolarHBondContact O-N 2.91Å; L371-R374 PolarHBondContact O-N 2.96Å; L371-T375 PolarHBondContact O-N 3.01Å; L371-T375 PolarHBondContact O-OG1 3.35Å; L371-H476 HydrophobicContact CD1-CB 4.26Å; L371-H476 VanDerWaalsContact CD2-ND1 3.28Å; L371-H476 WeakPolarHBondContact CD2-ND1 3.46Å; L371-R477 HydrophobicContact CD2-CB 4.2Å
372	E	46.5	Very low	59.3	Low	62 Å²	62	70.7 Å²	70.7	29%	0.29	38%	0.376	S	S	.	.	H	α-helix	trans	-68.7	-45.9	178.4	-123.5	173	-129.7	0	0	110	D369 R374 T375 V376	D369-E372 WeakPolarHBondContact O-CB 3.32Å; D369-E372 PolarHBondContact O-N 3.38Å; E372-R374 VanDerWaalsContact C-N 3.34Å; E372-R374 PolarHBondContact O-N 2.95Å; E372-T375 WeakPolarHBondContact CA-OG1 3.36Å; E372-T375 PolarHBondContact O-N 3.48Å; E372-T375 PolarHBondContact O-OG1 2.91Å; E372-V376 PolarHBondContact O-N 3.33Å
373	E	44	Very low	58.4	Low	95 Å²	95	77 Å²	77	44%	0.444	40%	0.402	S	S	.	.	H	α-helix	trans	-57.8	-43.6	168.6	-68.6	-165.9	138.1	0	0	111.8	V368 D369 T375 V376 Q377	V368-E373 HydrophobicContact CG1-CG 4.4Å; D369-E373 PolarHBondContact O-N 3.04Å; E373-T375 PolarHBondContact O-N 3.12Å; E373-V376 CarbonylContact O-C 3.56Å; E373-V376 PolarHBondContact O-N 3.47Å; E373-V376 VanDerWaalsContact O-N 3.16Å; E373-Q377 VanDerWaalsContact O-CB 3.28Å; E373-Q377 WeakPolarHBondContact O-CB 3.42Å; E373-Q377 VanDerWaalsContact O-CG 3.25Å; E373-Q377 WeakPolarHBondContact O-CG 3.49Å; E373-Q377 PolarHBondContact O-N 3.4Å
374	R	49.4	Very low	58.1	Low	125 Å²	125	77 Å²	77	47%	0.472	40%	0.404	S	S	.	.	H	α-helix	trans	-66.2	-31.1	177.5	-79.1	166.4	-168.5	-151.8	-0.6	114	A370 L371 E372 V376 Q377 L378 L381	A370-R374 WeakPolarHBondContact O-CB 3.35Å; A370-R374 WeakPolarHBondContact O-CD 3.49Å; A370-R374 WeakPolarHBondContact O-CG 3.21Å; A370-R374 PolarHBondContact O-N 2.69Å; L371-R374 PolarHBondContact O-N 2.96Å; E372-R374 VanDerWaalsContact C-N 3.34Å; E372-R374 PolarHBondContact O-N 2.95Å; R374-V376 VanDerWaalsContact C-N 3.33Å; R374-Q377 CarbonylContact O-C 3.34Å; R374-Q377 PolarHBondContact O-N 3.14Å; R374-L378 PolarHBondContact O-N 3.47Å; R374-L381 HydrophobicContact CG-CD1 4.36Å
375	T	49.7	Very low	58	Low	13 Å²	13	73.3 Å²	73.3	8%	0.08	39%	0.385	C	S	.	.	H	α-helix	trans	-67.8	-33.9	171.8	38.8	0	0	0	0	112.2	L371 E372 E373 V435	L371-T375 PolarHBondContact O-N 3.01Å; L371-T375 PolarHBondContact O-OG1 3.35Å; E372-T375 WeakPolarHBondContact CA-OG1 3.36Å; E372-T375 PolarHBondContact O-N 3.48Å; E372-T375 PolarHBondContact O-OG1 2.91Å; E373-T375 PolarHBondContact O-N 3.12Å; T375-V435 HydrophobicContact CG2-CG1 4.3Å; T375-V435 HydrophobicContact CG2-CG2 4.13Å
376	V	48.4	Very low	58.4	Low	65 Å²	65	69.6 Å²	69.6	39%	0.394	36%	0.36	S	S	.	.	H	α-helix	trans	-75.8	-34.8	171.8	179.7	0	0	0	0	111.3	E372 E373 R374 L378 P379	E372-V376 PolarHBondContact O-N 3.33Å; E373-V376 CarbonylContact O-C 3.56Å; E373-V376 PolarHBondContact O-N 3.47Å; E373-V376 VanDerWaalsContact O-N 3.16Å; R374-V376 VanDerWaalsContact C-N 3.33Å; V376-L378 VanDerWaalsContact C-N 3.3Å; V376-L378 PolarHBondContact O-N 3.45Å; V376-P379 VanDerWaalsContact O-CD 3.32Å; V376-P379 WeakPolarHBondContact O-CD 3.3Å
377	Q	51.6	Low	59.4	Low	90 Å²	90	67.2 Å²	67.2	42%	0.421	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	23.5	179.7	-65	-178.3	30.2	0	0	114.4	E373 R374 P379 S380	E373-Q377 VanDerWaalsContact O-CB 3.28Å; E373-Q377 WeakPolarHBondContact O-CB 3.42Å; E373-Q377 VanDerWaalsContact O-CG 3.25Å; E373-Q377 WeakPolarHBondContact O-CG 3.49Å; E373-Q377 PolarHBondContact O-N 3.4Å; R374-Q377 CarbonylContact O-C 3.34Å; R374-Q377 PolarHBondContact O-N 3.14Å; Q377-P379 VanDerWaalsContact O-N 3.08Å; Q377-S380 PolarHBondContact O-N 3.49Å; Q377-S380 PolarHBondContact O-OG 2.85Å; Q377-S380 VanDerWaalsContact O-OG 3.04Å
378	L	56.2	Low	60.9	Low	3 Å²	3	67.5 Å²	67.5	2%	0.016	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44	-34.8	163	-102	163.1	0	0	0	113.7	R374 V376 S380 V385 L404 R428 Y431	R374-L378 PolarHBondContact O-N 3.47Å; V376-L378 VanDerWaalsContact C-N 3.3Å; V376-L378 PolarHBondContact O-N 3.45Å; L378-S380 PolarHBondContact O-N 3.36Å; L378-V385 HydrophobicContact CD2-CG2 4.45Å; L378-L404 HydrophobicContact CD1-CD1 3.84Å; L378-R428 PolarHBondContact O-NH2 2.81Å; L378-Y431 HydrophobicContact CD1-CD1 4.43Å; L378-Y431 HydrophobicContact CD1-CE1 4.17Å; L378-Y431 HydrophobicContact CD2-CD1 4.4Å; L378-Y431 HydrophobicContact CD2-CE1 4.34Å; L378-Y431 HydrophobicContact CG-CE1 4.46Å
379	P	49.5	Very low	62.8	Low	54 Å²	54	65 Å²	65	35%	0.351	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.7	172.6	-26.3	37.6	0	0	0	117.2	V376 Q377 K382	V376-P379 VanDerWaalsContact O-CD 3.32Å; V376-P379 WeakPolarHBondContact O-CD 3.3Å; Q377-P379 VanDerWaalsContact O-N 3.08Å; P379-K382 VanDerWaalsContact O-CD 3.25Å; P379-K382 WeakPolarHBondContact O-CD 3.37Å; P379-K382 WeakPolarHBondContact O-CE 3.36Å; P379-K382 VanDerWaalsContact O-CG 3.26Å; P379-K382 WeakPolarHBondContact O-CG 3.37Å
380	S	57.7	Low	64.8	Low	78 Å²	78	60.3 Å²	60.3	55%	0.545	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-34.9	178.4	73.9	0	0	0	0	112.1	Q377 L378 K382	Q377-S380 PolarHBondContact O-N 3.49Å; Q377-S380 PolarHBondContact O-OG 2.85Å; Q377-S380 VanDerWaalsContact O-OG 3.04Å; L378-S380 PolarHBondContact O-N 3.36Å; S380-K382 PolarHBondContact O-N 3.07Å
381	L	63.3	Low	67.1	Low	46 Å²	46	63.9 Å²	63.9	24%	0.241	32%	0.321	C	S	.	.	S	Bend	trans	-80.2	8.9	-179.1	-64.1	173.7	0	0	0	114.2	R374 H383 S384 V385 M473	R374-L381 HydrophobicContact CG-CD1 4.36Å; L381-H383 PolarHBondContact O-N 3.36Å; L381-S384 PolarHBondContact O-N 2.67Å; L381-S384 PolarHBondContact O-OG 2.87Å; L381-S384 VanDerWaalsContact O-OG 3.12Å; L381-V385 HydrophobicContact CB-CG1 4.1Å; L381-V385 WeakPolarHBondContact O-CG2 3.46Å; L381-V385 PolarHBondContact O-N 3.15Å; L381-M473 HydrophobicContact CD1-CE 4.06Å; L381-M473 HydrophobicContact CD1-SD 3.77Å
382	K	68.7	Low	69.3	Low	69 Å²	69	72 Å²	72	30%	0.3	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-38.3	-167.6	-82.3	173	-173.1	-172.6	0	115.6	P379 S380 T386 E398 R428	P379-K382 VanDerWaalsContact O-CD 3.25Å; P379-K382 WeakPolarHBondContact O-CD 3.37Å; P379-K382 WeakPolarHBondContact O-CE 3.36Å; P379-K382 VanDerWaalsContact O-CG 3.26Å; P379-K382 WeakPolarHBondContact O-CG 3.37Å; S380-K382 PolarHBondContact O-N 3.07Å; K382-T386 VanDerWaalsContact O-CB 3.23Å; K382-T386 WeakPolarHBondContact O-CB 3.45Å; K382-T386 PolarHBondContact O-OG1 2.64Å; K382-E398 VanDerWaalsContact CE-OE1 3.23Å; K382-E398 WeakPolarHBondContact CE-OE1 3.24Å; K382-E398 IonicContact NZ-OE1 2.83Å; K382-E398 PolarHBondContact NZ-OE1 2.83Å; K382-R428 PolarHBondContact O-NH1 3.01Å
383	H	72.9	Confident	71.5	Confident	174 Å²	174	69.6 Å²	69.6	81%	0.806	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-35.7	-177.7	-67.4	-77.9	0	0	0	113.9	L381	L381-H383 PolarHBondContact O-N 3.36Å
384	S	83.1	Confident	73.7	Confident	49 Å²	49	71.6 Å²	71.6	34%	0.343	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.6	-177.3	57.2	0	0	0	0	113.7	L381 P467	L381-S384 PolarHBondContact O-N 2.67Å; L381-S384 PolarHBondContact O-OG 2.87Å; L381-S384 VanDerWaalsContact O-OG 3.12Å; S384-P467 WeakPolarHBondContact O-CB 3.16Å
385	V	84.2	Confident	75.6	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	6.5	179.9	-56.1	0	0	0	0	114.8	L378 L381 L470 M473	L378-V385 HydrophobicContact CD2-CG2 4.45Å; L381-V385 HydrophobicContact CB-CG1 4.1Å; L381-V385 WeakPolarHBondContact O-CG2 3.46Å; L381-V385 PolarHBondContact O-N 3.15Å; V385-L470 HydrophobicContact CB-CB 4.12Å; V385-L470 HydrophobicContact CB-CD1 4.26Å; V385-L470 HydrophobicContact CG1-CB 4.24Å; V385-L470 HydrophobicContact CG1-CD1 4.44Å; V385-M473 HydrophobicContact CG1-SD 4.01Å
386	T	86.1	Confident	77.7	Confident	29 Å²	29	71.7 Å²	71.7	18%	0.178	36%	0.356	C	S	.	.			trans	-118.6	118.5	-173.2	-60	0	0	0	0	111.3	K382 D390 F391 R428	K382-T386 VanDerWaalsContact O-CB 3.23Å; K382-T386 WeakPolarHBondContact O-CB 3.45Å; K382-T386 PolarHBondContact O-OG1 2.64Å; T386-D390 HydrophobicContact CG2-CB 3.74Å; T386-F391 HydrophobicContact CG2-CB 3.93Å; T386-F391 VanDerWaalsContact CG2-N 3.33Å; T386-R428 PolarHBondContact OG1-NH1 3.14Å
387	N	90.5	Very high	79.8	Confident	30 Å²	30	68.7 Å²	68.7	16%	0.16	34%	0.337	C	S	.	.			trans	-88.1	179.2	171.4	77.9	14.3	0	0	0	112.3	L389 D390 F391 P427 N465 P467	N387-L389 PolarHBondContact O-N 2.89Å; N387-L389 WeakPolarHBondContact OD1-CB 3.32Å; N387-L389 PolarHBondContact OD1-N 3Å; N387-D390 PolarHBondContact O-N 3Å; N387-D390 PolarHBondContact OD1-N 2.78Å; N387-F391 PolarHBondContact O-N 3.1Å; N387-P427 WeakPolarHBondContact ND2-CD 3.31Å; N387-P427 WeakPolarHBondContact ND2-CG 3.29Å; N387-N465 PolarHBondContact ND2-O 3.42Å; N387-P467 HydrophobicContact CB-CG 4.01Å
388	Q	90.2	Very high	81.5	Confident	166 Å²	166	67.7 Å²	67.7	78%	0.776	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.3	-178.3	-66.2	-176.5	-2.9	0	0	114.9
389	L	90.3	Very high	83.2	Confident	47 Å²	47	71.1 Å²	71.1	25%	0.246	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-51.5	175.1	-177.6	163.6	0	0	0	109.4	N387 F391 R392 I393 Y423 T425	N387-L389 PolarHBondContact O-N 2.89Å; N387-L389 WeakPolarHBondContact OD1-CB 3.32Å; N387-L389 PolarHBondContact OD1-N 3Å; L389-F391 PolarHBondContact O-N 2.96Å; L389-R392 WeakPolarHBondContact O-CB 3.48Å; L389-R392 PolarHBondContact O-N 3.07Å; L389-I393 HydrophobicContact CD2-CD1 4.16Å; L389-Y423 HydrophobicContact CD2-CD1 4Å; L389-T425 VanDerWaalsContact CD1-OG1 3.31Å; L389-T425 WeakPolarHBondContact CD1-OG1 3.46Å
390	D	91.7	Very high	85.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-59	-34.1	-179.8	-66	-19.1	0	0	0	111.8	T386 N387 R392 I393 R394 L397 S426 P427 R428	T386-D390 HydrophobicContact CG2-CB 3.74Å; N387-D390 PolarHBondContact O-N 3Å; N387-D390 PolarHBondContact OD1-N 2.78Å; D390-R392 VanDerWaalsContact C-N 3.28Å; D390-R392 PolarHBondContact O-N 3.22Å; D390-I393 CarbonylContact O-C 3.47Å; D390-I393 VanDerWaalsContact O-CG1 3.23Å; D390-I393 WeakPolarHBondContact O-CG1 3.1Å; D390-I393 PolarHBondContact O-N 2.93Å; D390-I393 VanDerWaalsContact O-N 3.16Å; D390-R394 PolarHBondContact O-N 2.95Å; D390-R394 VanDerWaalsContact O-N 3.13Å; D390-L397 HydrophobicContact CB-CD1 3.91Å; D390-L397 WeakPolarHBondContact O-CD1 3.17Å; D390-S426 WeakPolarHBondContact OD1-CA 3.19Å; D390-S426 VanDerWaalsContact OD1-CB 3.25Å; D390-S426 WeakPolarHBondContact OD1-CB 3.15Å; D390-S426 PolarHBondContact OD1-OG 3.06Å; D390-P427 WeakPolarHBondContact OD2-CD 3.41Å; D390-R428 HydrophobicContact CB-CB 4.28Å; D390-R428 VanDerWaalsContact OD2-CB 3.23Å; D390-R428 WeakPolarHBondContact OD2-CB 2.84Å; D390-R428 PolarHBondContact OD2-N 2.92Å
391	F	90.5	Very high	86.7	Confident	113 Å²	113	65 Å²	65	50%	0.496	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-60.7	-33.6	175.9	-173.6	-97.5	0	0	0	113.4	T386 N387 L389 I393 R394	T386-F391 HydrophobicContact CG2-CB 3.93Å; T386-F391 VanDerWaalsContact CG2-N 3.33Å; N387-F391 PolarHBondContact O-N 3.1Å; L389-F391 PolarHBondContact O-N 2.96Å; F391-I393 VanDerWaalsContact C-N 3.28Å; F391-I393 PolarHBondContact O-N 2.87Å; F391-R394 WeakPolarHBondContact O-CB 3.29Å; F391-R394 WeakPolarHBondContact O-CG 3.34Å; F391-R394 PolarHBondContact O-N 2.71Å
392	R	91.3	Very high	87.9	Confident	203 Å²	203	69.3 Å²	69.3	77%	0.766	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-70.6	-25.6	178.9	-61.4	176.1	-172.8	-166.1	-0.9	112.5	L389 D390	L389-R392 WeakPolarHBondContact O-CB 3.48Å; L389-R392 PolarHBondContact O-N 3.07Å; D390-R392 VanDerWaalsContact C-N 3.28Å; D390-R392 PolarHBondContact O-N 3.22Å
393	I	93.1	Very high	89	Confident	12 Å²	12	66.6 Å²	66.6	6%	0.062	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-106.9	10.9	-178.6	56.3	170.3	0	0	0	113	L389 D390 F391 G395 R396 L397 I419 Y423	L389-I393 HydrophobicContact CD2-CD1 4.16Å; D390-I393 CarbonylContact O-C 3.47Å; D390-I393 VanDerWaalsContact O-CG1 3.23Å; D390-I393 WeakPolarHBondContact O-CG1 3.1Å; D390-I393 PolarHBondContact O-N 2.93Å; D390-I393 VanDerWaalsContact O-N 3.16Å; F391-I393 VanDerWaalsContact C-N 3.28Å; F391-I393 PolarHBondContact O-N 2.87Å; I393-G395 VanDerWaalsContact C-N 3.26Å; I393-G395 PolarHBondContact O-N 3.02Å; I393-R396 PolarHBondContact O-N 2.87Å; I393-L397 HydrophobicContact CD1-CD1 4.07Å; I393-L397 HydrophobicContact CD1-CD2 4.39Å; I393-L397 HydrophobicContact CD1-CG 4.22Å; I393-L397 HydrophobicContact CG1-CD1 3.81Å; I393-L397 HydrophobicContact CG1-CG 4.13Å; I393-L397 PolarHBondContact O-N 2.88Å; I393-I419 HydrophobicContact CD1-CG2 3.76Å; I393-Y423 HydrophobicContact CD1-CG 4.15Å; I393-Y423 HydrophobicContact CG2-CD1 3.84Å; I393-Y423 HydrophobicContact CG2-CD2 3.76Å; I393-Y423 HydrophobicContact CG2-CE1 3.56Å; I393-Y423 HydrophobicContact CG2-CE2 3.48Å; I393-Y423 VanDerWaalsContact CG2-CE2 3.48Å; I393-Y423 HydrophobicContact CG2-CG 3.94Å
394	R	89.8	Confident	89.7	Confident	137 Å²	137	58.7 Å²	58.7	52%	0.517	27%	0.274	S	S	.	.	H	α-helix	trans	-47.7	-41.6	-171.8	71.2	-172.6	-167.2	-159.6	3.1	114.3	D390 F391 R396 L397 E398	D390-R394 PolarHBondContact O-N 2.95Å; D390-R394 VanDerWaalsContact O-N 3.13Å; F391-R394 WeakPolarHBondContact O-CB 3.29Å; F391-R394 WeakPolarHBondContact O-CG 3.34Å; F391-R394 PolarHBondContact O-N 2.71Å; R394-R396 VanDerWaalsContact C-N 3.34Å; R394-R396 PolarHBondContact O-N 2.83Å; R394-L397 WeakPolarHBondContact O-CB 3.18Å; R394-L397 PolarHBondContact O-N 2.71Å; R394-E398 WeakPolarHBondContact O-CB 3.4Å; R394-E398 VanDerWaalsContact O-CG 3.3Å; R394-E398 WeakPolarHBondContact O-CG 3.37Å; R394-E398 PolarHBondContact O-N 3.21Å
395	G	89.1	Confident	89.7	Confident	49 Å²	49	59 Å²	59	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-65.8	-30.1	-178.9	0	0	0	0	0	114.5	I393 L399	I393-G395 VanDerWaalsContact C-N 3.26Å; I393-G395 PolarHBondContact O-N 3.02Å; G395-L399 PolarHBondContact O-N 3.43Å
396	R	93.1	Very high	89.9	Confident	92 Å²	92	63.2 Å²	63.2	35%	0.347	30%	0.296	S	S	.	.	H	α-helix	trans	-78.9	-36.9	172	-71.1	-163	69	-166.5	0.1	111.8	I393 R394 L399 A400 E415 S418 I419	I393-R396 PolarHBondContact O-N 2.87Å; R394-R396 VanDerWaalsContact C-N 3.34Å; R394-R396 PolarHBondContact O-N 2.83Å; R396-L399 PolarHBondContact O-N 2.58Å; R396-A400 PolarHBondContact O-N 2.83Å; R396-A400 VanDerWaalsContact O-N 3.09Å; R396-E415 IonicContact CZ-OE2 2.67Å; R396-E415 IonicContact NE-OE2 2.67Å; R396-E415 IonicContact NH2-OE1 3.39Å; R396-E415 IonicContact NH2-OE2 2.77Å; R396-E415 PolarHBondContact NH2-OE2 3.01Å; R396-S418 PolarHBondContact NH2-OG 2.84Å; R396-I419 HydrophobicContact CB-CD1 3.77Å; R396-I419 HydrophobicContact CB-CG1 3.94Å
397	L	91.9	Very high	90	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-61.4	-44.7	174	-66.8	172.9	0	0	0	111.2	D390 I393 R394 L399 A400 D401 F416 I419 R428 S429	D390-L397 HydrophobicContact CB-CD1 3.91Å; D390-L397 WeakPolarHBondContact O-CD1 3.17Å; I393-L397 HydrophobicContact CD1-CD1 4.07Å; I393-L397 HydrophobicContact CD1-CD2 4.39Å; I393-L397 HydrophobicContact CD1-CG 4.22Å; I393-L397 HydrophobicContact CG1-CD1 3.81Å; I393-L397 HydrophobicContact CG1-CG 4.13Å; I393-L397 PolarHBondContact O-N 2.88Å; R394-L397 WeakPolarHBondContact O-CB 3.18Å; R394-L397 PolarHBondContact O-N 2.71Å; L397-L399 VanDerWaalsContact C-N 3.25Å; L397-L399 PolarHBondContact O-N 2.98Å; L397-A400 PolarHBondContact O-N 3.3Å; L397-D401 WeakPolarHBondContact O-CB 3.47Å; L397-D401 VanDerWaalsContact O-CG 3.22Å; L397-D401 PolarHBondContact O-N 3Å; L397-F416 HydrophobicContact CD2-CE1 4.15Å; L397-I419 HydrophobicContact CD2-CD1 4.23Å; L397-R428 HydrophobicContact CD1-CB 4.2Å; L397-R428 HydrophobicContact CD1-CG 4.18Å; L397-R428 HydrophobicContact CD2-CB 4.41Å; L397-R428 HydrophobicContact CD2-CG 4.21Å; L397-S429 WeakPolarHBondContact CD2-OG 3.49Å
398	E	88.8	Confident	90.1	Very high	69 Å²	69	71.8 Å²	71.8	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-65.9	-24.2	178.3	-71.5	176.2	135.8	0	0	113.6	K382 R394 R402	K382-E398 VanDerWaalsContact CE-OE1 3.23Å; K382-E398 WeakPolarHBondContact CE-OE1 3.24Å; K382-E398 IonicContact NZ-OE1 2.83Å; K382-E398 PolarHBondContact NZ-OE1 2.83Å; R394-E398 WeakPolarHBondContact O-CB 3.4Å; R394-E398 VanDerWaalsContact O-CG 3.3Å; R394-E398 WeakPolarHBondContact O-CG 3.37Å; R394-E398 PolarHBondContact O-N 3.21Å; E398-R402 WeakPolarHBondContact O-CB 3.4Å; E398-R402 PolarHBondContact O-N 2.79Å
399	L	91.1	Very high	90.2	Very high	74 Å²	74	64.5 Å²	64.5	39%	0.387	29%	0.289	S	S	.	.	H	α-helix	trans	-74.1	-48	169.8	179.4	63.1	0	0	0	111.1	G395 R396 L397 R402 L403	G395-L399 PolarHBondContact O-N 3.43Å; R396-L399 PolarHBondContact O-N 2.58Å; L397-L399 VanDerWaalsContact C-N 3.25Å; L397-L399 PolarHBondContact O-N 2.98Å; L399-R402 WeakPolarHBondContact O-CB 3.27Å; L399-R402 PolarHBondContact O-N 3.43Å; L399-R402 VanDerWaalsContact O-N 3.15Å; L399-L403 PolarHBondContact O-N 3.05Å
400	A	92.2	Very high	90.5	Very high	0 Å²	0	68 Å²	68	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.9	-34.8	-179.3	0	0	0	0	0	113.1	R396 L397 L403 L404 S412 E415 F416 I419	R396-A400 PolarHBondContact O-N 2.83Å; R396-A400 VanDerWaalsContact O-N 3.09Å; L397-A400 PolarHBondContact O-N 3.3Å; A400-L403 PolarHBondContact O-N 2.89Å; A400-L404 PolarHBondContact O-N 2.96Å; A400-L404 VanDerWaalsContact O-N 3.14Å; A400-S412 PolarHBondContact O-OG 3.36Å; A400-E415 HydrophobicContact CB-CB 4.02Å; A400-F416 HydrophobicContact CB-CD1 3.78Å; A400-F416 HydrophobicContact CB-CD2 4.04Å; A400-F416 HydrophobicContact CB-CE1 3.44Å; A400-F416 VanDerWaalsContact CB-CE1 3.44Å; A400-F416 HydrophobicContact CB-CE2 3.73Å; A400-F416 HydrophobicContact CB-CG 4.06Å; A400-F416 HydrophobicContact CB-CZ 3.41Å; A400-F416 VanDerWaalsContact CB-CZ 3.41Å; A400-I419 HydrophobicContact CB-CD1 4.36Å
401	D	87.8	Confident	90.7	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-34.9	170.4	-70	-27.1	0	0	0	111.7	L397 L404 S405 R428	L397-D401 WeakPolarHBondContact O-CB 3.47Å; L397-D401 VanDerWaalsContact O-CG 3.22Å; L397-D401 PolarHBondContact O-N 3Å; D401-L404 WeakPolarHBondContact O-CB 3.26Å; D401-L404 PolarHBondContact O-N 2.96Å; D401-S405 PolarHBondContact O-N 3.42Å; D401-S405 VanDerWaalsContact O-N 3.09Å; D401-R428 IonicContact OD2-CZ 2.9Å; D401-R428 IonicContact OD2-NE 2.64Å; D401-R428 PolarHBondContact OD2-NE 3.33Å; D401-R428 IonicContact OD2-NH2 2.99Å; D401-R428 PolarHBondContact OD2-NH2 2.88Å
402	R	89	Confident	90.9	Very high	137 Å²	137	67.1 Å²	67.1	52%	0.517	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-44.3	174.4	-164.8	-169.4	-56.1	166.7	3.8	111	E398 L399 L404 S405 E406	E398-R402 WeakPolarHBondContact O-CB 3.4Å; E398-R402 PolarHBondContact O-N 2.79Å; L399-R402 WeakPolarHBondContact O-CB 3.27Å; L399-R402 PolarHBondContact O-N 3.43Å; L399-R402 VanDerWaalsContact O-N 3.15Å; R402-L404 VanDerWaalsContact C-N 3.27Å; R402-L404 PolarHBondContact O-N 3.08Å; R402-S405 WeakPolarHBondContact CA-OG 3Å; R402-S405 CarbonylContact O-C 3.57Å; R402-S405 WeakPolarHBondContact O-CA 3.44Å; R402-S405 PolarHBondContact O-N 3.15Å; R402-S405 PolarHBondContact O-OG 3.12Å; R402-E406 WeakPolarHBondContact CD-OE1 3.46Å; R402-E406 HydrophobicContact CG-CG 4.41Å; R402-E406 VanDerWaalsContact CG-OE1 3.27Å; R402-E406 WeakPolarHBondContact CG-OE1 3.38Å; R402-E406 WeakPolarHBondContact O-CG 3.37Å; R402-E406 PolarHBondContact O-N 2.65Å
403	L	92	Very high	91.1	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-34.2	175.2	-66.4	169	0	0	0	112.3	L399 A400 R407 R408 E411 E415	L399-L403 PolarHBondContact O-N 3.05Å; A400-L403 PolarHBondContact O-N 2.89Å; L403-R407 PolarHBondContact O-N 3.48Å; L403-R408 HydrophobicContact CB-CB 4.47Å; L403-R408 HydrophobicContact CD2-CB 4.11Å; L403-R408 VanDerWaalsContact CD2-CZ 3.47Å; L403-R408 PolarHBondContact O-N 3.33Å; L403-E411 HydrophobicContact CD1-CB 4.12Å; L403-E411 HydrophobicContact CD2-CB 4.32Å; L403-E415 HydrophobicContact CD1-CG 4.2Å
404	L	87.4	Confident	91.3	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-60.7	-50.1	168	-75	179	0	0	0	111.8	L378 A400 D401 R402 E406 R407 L409 S412 F416 V435 S436	L378-L404 HydrophobicContact CD1-CD1 3.84Å; A400-L404 PolarHBondContact O-N 2.96Å; A400-L404 VanDerWaalsContact O-N 3.14Å; D401-L404 WeakPolarHBondContact O-CB 3.26Å; D401-L404 PolarHBondContact O-N 2.96Å; R402-L404 VanDerWaalsContact C-N 3.27Å; R402-L404 PolarHBondContact O-N 3.08Å; L404-E406 VanDerWaalsContact C-N 3.3Å; L404-E406 PolarHBondContact O-N 2.96Å; L404-R407 WeakPolarHBondContact O-CA 3.44Å; L404-R407 PolarHBondContact O-N 2.86Å; L404-L409 HydrophobicContact CD2-CD2 4.34Å; L404-S412 VanDerWaalsContact CD2-OG 3.25Å; L404-S412 WeakPolarHBondContact CD2-OG 3.46Å; L404-S412 VanDerWaalsContact CG-OG 3.26Å; L404-S412 WeakPolarHBondContact CG-OG 3.47Å; L404-F416 HydrophobicContact CD1-CE2 3.92Å; L404-F416 HydrophobicContact CD1-CZ 4.29Å; L404-F416 HydrophobicContact CG-CE2 4.09Å; L404-V435 HydrophobicContact CD1-CB 4.3Å; L404-V435 HydrophobicContact CD1-CG1 3.98Å; L404-V435 HydrophobicContact CD2-CG1 4.16Å; L404-S436 WeakPolarHBondContact CD2-OG 3.29Å
405	S	84.3	Confident	91.7	Very high	54 Å²	54	58 Å²	58	38%	0.378	27%	0.274	S	S	.	.	H	α-helix	trans	-65.3	-31.6	-178.7	67.2	0	0	0	0	113.3	D401 R402 R407	D401-S405 PolarHBondContact O-N 3.42Å; D401-S405 VanDerWaalsContact O-N 3.09Å; R402-S405 WeakPolarHBondContact CA-OG 3Å; R402-S405 CarbonylContact O-C 3.57Å; R402-S405 WeakPolarHBondContact O-CA 3.44Å; R402-S405 PolarHBondContact O-N 3.15Å; R402-S405 PolarHBondContact O-OG 3.12Å; S405-R407 PolarHBondContact O-N 3.4Å
406	E	88.6	Confident	92.1	Very high	89 Å²	89	55.7 Å²	55.7	42%	0.416	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	0.6	172.4	-69.3	174.1	-158.5	0	0	113	R402 L404 R408	R402-E406 WeakPolarHBondContact CD-OE1 3.46Å; R402-E406 HydrophobicContact CG-CG 4.41Å; R402-E406 VanDerWaalsContact CG-OE1 3.27Å; R402-E406 WeakPolarHBondContact CG-OE1 3.38Å; R402-E406 WeakPolarHBondContact O-CG 3.37Å; R402-E406 PolarHBondContact O-N 2.65Å; L404-E406 VanDerWaalsContact C-N 3.3Å; L404-E406 PolarHBondContact O-N 2.96Å; E406-R408 HydrophobicContact CB-CG 4.14Å; E406-R408 PolarHBondContact O-N 2.96Å; E406-R408 WeakPolarHBondContact OE2-CD 3.31Å; E406-R408 IonicContact OE2-CZ 2.64Å; E406-R408 IonicContact OE2-NE 3.45Å; E406-R408 IonicContact OE2-NH1 2.67Å; E406-R408 PolarHBondContact OE2-NH1 3.13Å
407	R	86.3	Confident	92.3	Very high	140 Å²	140	54.5 Å²	54.5	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	24.8	-173.5	-61.3	-69.4	-169.3	157.8	1.8	114.2	L403 L404 S405 L409	L403-R407 PolarHBondContact O-N 3.48Å; L404-R407 WeakPolarHBondContact O-CA 3.44Å; L404-R407 PolarHBondContact O-N 2.86Å; S405-R407 PolarHBondContact O-N 3.4Å; R407-L409 VanDerWaalsContact C-N 3.3Å; R407-L409 PolarHBondContact O-N 2.9Å; R407-L409 VanDerWaalsContact O-N 3.12Å
408	R	93.1	Very high	92.5	Very high	100 Å²	100	56 Å²	56	38%	0.377	26%	0.258	S	S	.	.			trans	-88.6	68.5	175.8	-67.9	164.6	66.7	-172.5	1.9	109.8	L403 E406 E410 E411 S412	L403-R408 HydrophobicContact CB-CB 4.47Å; L403-R408 HydrophobicContact CD2-CB 4.11Å; L403-R408 VanDerWaalsContact CD2-CZ 3.47Å; L403-R408 PolarHBondContact O-N 3.33Å; E406-R408 HydrophobicContact CB-CG 4.14Å; E406-R408 PolarHBondContact O-N 2.96Å; E406-R408 WeakPolarHBondContact OE2-CD 3.31Å; E406-R408 IonicContact OE2-CZ 2.64Å; E406-R408 IonicContact OE2-NE 3.45Å; E406-R408 IonicContact OE2-NH1 2.67Å; E406-R408 PolarHBondContact OE2-NH1 3.13Å; R408-E410 PolarHBondContact O-N 3.49Å; R408-E411 HydrophobicContact CB-CB 4.46Å; R408-E411 IonicContact CZ-OE1 2.88Å; R408-E411 VanDerWaalsContact CZ-OE1 3.29Å; R408-E411 IonicContact CZ-OE2 3.94Å; R408-E411 IonicContact NE-OE1 3.2Å; R408-E411 PolarHBondContact NE-OE1 3.02Å; R408-E411 IonicContact NE-OE2 2.84Å; R408-E411 IonicContact NH2-OE1 2.68Å; R408-E411 PolarHBondContact NH2-OE1 2.66Å; R408-E411 IonicContact NH2-OE2 3.6Å; R408-E411 PolarHBondContact NH2-OE2 3.15Å; R408-E411 PolarHBondContact O-N 2.83Å; R408-S412 WeakPolarHBondContact O-CB 3.32Å; R408-S412 PolarHBondContact O-N 2.67Å
409	L	92.7	Very high	92.9	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.063	24%	0.243	C	C	.	.	H	α-helix	trans	-68.8	-38.3	-161.1	-55.8	179.4	0	0	0	113.6	L404 R407 L413 L439 L440	L404-L409 HydrophobicContact CD2-CD2 4.34Å; R407-L409 VanDerWaalsContact C-N 3.3Å; R407-L409 PolarHBondContact O-N 2.9Å; R407-L409 VanDerWaalsContact O-N 3.12Å; L409-L413 VanDerWaalsContact O-CB 3.32Å; L409-L413 WeakPolarHBondContact O-CB 2.99Å; L409-L413 PolarHBondContact O-N 3.47Å; L409-L439 HydrophobicContact CD1-CB 3.67Å; L409-L439 HydrophobicContact CD2-CB 3.91Å; L409-L439 HydrophobicContact CD2-CD1 3.86Å; L409-L439 HydrophobicContact CG-CB 4.43Å; L409-L440 HydrophobicContact CB-CD1 4.29Å; L409-L440 HydrophobicContact CB-CD2 3.72Å; L409-L440 HydrophobicContact CB-CG 3.71Å; L409-L440 HydrophobicContact CD1-CD2 4.09Å; L409-L440 HydrophobicContact CD1-CG 4.11Å
410	E	95.8	Very high	93.2	Very high	122 Å²	122	50.5 Å²	50.5	57%	0.57	23%	0.232	S	C	*	.	H	α-helix	trans	-66.9	-42.9	177	-68.5	79.8	179.5	0	0	111.9	R408 L413 H414 L440	R408-E410 PolarHBondContact O-N 3.49Å; E410-L413 PolarHBondContact O-N 2.88Å; E410-H414 WeakPolarHBondContact O-CB 3.3Å; E410-H414 PolarHBondContact O-N 3.22Å; E410-L440 HydrophobicContact CG-CD2 4.25Å; E410-L440 WeakPolarHBondContact OE1-CD2 3.18Å
411	E	96.7	Very high	93.4	Very high	93 Å²	93	59.7 Å²	59.7	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-67.5	-41.2	176.9	-64.4	-177.3	-96	0	0	111.1	L403 R408 H414 E415	L403-E411 HydrophobicContact CD1-CB 4.12Å; L403-E411 HydrophobicContact CD2-CB 4.32Å; R408-E411 HydrophobicContact CB-CB 4.46Å; R408-E411 IonicContact CZ-OE1 2.88Å; R408-E411 VanDerWaalsContact CZ-OE1 3.29Å; R408-E411 IonicContact CZ-OE2 3.94Å; R408-E411 IonicContact NE-OE1 3.2Å; R408-E411 PolarHBondContact NE-OE1 3.02Å; R408-E411 IonicContact NE-OE2 2.84Å; R408-E411 IonicContact NH2-OE1 2.68Å; R408-E411 PolarHBondContact NH2-OE1 2.66Å; R408-E411 IonicContact NH2-OE2 3.6Å; R408-E411 PolarHBondContact NH2-OE2 3.15Å; R408-E411 PolarHBondContact O-N 2.83Å; E411-H414 PolarHBondContact O-N 3.03Å; E411-E415 PolarHBondContact O-N 2.77Å
412	S	94.4	Very high	93.8	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.3	-48.8	171.9	175.9	0	0	0	0	111.9	A400 L404 R408 H414 E415 F416 S436	A400-S412 PolarHBondContact O-OG 3.36Å; L404-S412 VanDerWaalsContact CD2-OG 3.25Å; L404-S412 WeakPolarHBondContact CD2-OG 3.46Å; L404-S412 VanDerWaalsContact CG-OG 3.26Å; L404-S412 WeakPolarHBondContact CG-OG 3.47Å; R408-S412 WeakPolarHBondContact O-CB 3.32Å; R408-S412 PolarHBondContact O-N 2.67Å; S412-H414 VanDerWaalsContact C-N 3.34Å; S412-H414 PolarHBondContact O-N 3.49Å; S412-E415 PolarHBondContact O-N 3.23Å; S412-F416 WeakPolarHBondContact O-CD2 3.39Å; S412-F416 PolarHBondContact O-N 3.49Å; S412-F416 WeakPolarHBondContact OG-CE2 3.48Å; S412-S436 PolarHBondContact OG-OG 2.57Å; S412-S436 VanDerWaalsContact OG-OG 3.12Å
413	L	96.4	Very high	94.1	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-44.9	177	177	57.2	0	0	0	111.2	L409 E410 F416 E417 K433 L437 L440	L409-L413 VanDerWaalsContact O-CB 3.32Å; L409-L413 WeakPolarHBondContact O-CB 2.99Å; L409-L413 PolarHBondContact O-N 3.47Å; E410-L413 PolarHBondContact O-N 2.88Å; L413-F416 PolarHBondContact O-N 3.4Å; L413-E417 HydrophobicContact CD1-CG 4.28Å; L413-E417 WeakPolarHBondContact O-CB 3.05Å; L413-E417 WeakPolarHBondContact O-CG 3.39Å; L413-E417 PolarHBondContact O-N 2.87Å; L413-K433 HydrophobicContact CD1-CB 4.3Å; L413-K433 HydrophobicContact CD1-CD 4.13Å; L413-K433 HydrophobicContact CD1-CG 3.73Å; L413-L437 HydrophobicContact CD1-CD1 4.46Å; L413-L437 HydrophobicContact CD1-CD2 4.32Å; L413-L437 HydrophobicContact CD1-CG 4.01Å; L413-L437 HydrophobicContact CD2-CD2 3.75Å; L413-L437 HydrophobicContact CD2-CG 4.26Å; L413-L440 HydrophobicContact CD2-CD1 3.85Å
414	H	97.7	Very high	94.2	Very high	102 Å²	102	63.3 Å²	63.3	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-44	176.5	178.9	-93.8	0	0	0	112	E410 E411 S412 E417 S418	E410-H414 WeakPolarHBondContact O-CB 3.3Å; E410-H414 PolarHBondContact O-N 3.22Å; E411-H414 PolarHBondContact O-N 3.03Å; S412-H414 VanDerWaalsContact C-N 3.34Å; S412-H414 PolarHBondContact O-N 3.49Å; H414-E417 PolarHBondContact O-N 2.97Å; H414-S418 WeakPolarHBondContact O-CB 3.45Å; H414-S418 PolarHBondContact O-N 2.73Å
415	E	97	Very high	94.5	Very high	39 Å²	39	66.5 Å²	66.5	18%	0.182	33%	0.326	C	S	.	.	H	α-helix	trans	-67.3	-41.6	177.5	-85.3	-56.6	110.1	0	0	112.7	R396 A400 L403 E411 S412 E417 S418 I419	R396-E415 IonicContact CZ-OE2 2.67Å; R396-E415 IonicContact NE-OE2 2.67Å; R396-E415 IonicContact NH2-OE1 3.39Å; R396-E415 IonicContact NH2-OE2 2.77Å; R396-E415 PolarHBondContact NH2-OE2 3.01Å; A400-E415 HydrophobicContact CB-CB 4.02Å; L403-E415 HydrophobicContact CD1-CG 4.2Å; E411-E415 PolarHBondContact O-N 2.77Å; S412-E415 PolarHBondContact O-N 3.23Å; E415-E417 VanDerWaalsContact C-N 3.33Å; E415-E417 PolarHBondContact O-N 2.91Å; E415-S418 CarbonylContact O-C 3.41Å; E415-S418 WeakPolarHBondContact O-CB 3.33Å; E415-S418 PolarHBondContact O-N 3.41Å; E415-S418 VanDerWaalsContact O-N 3.17Å; E415-I419 VanDerWaalsContact O-CG1 3.26Å; E415-I419 WeakPolarHBondContact O-CG1 3.41Å; E415-I419 PolarHBondContact O-N 3.13Å
416	F	96.9	Very high	95	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.1	-38.5	173.7	-73.8	-58.1	0	0	0	112.4	L397 A400 L404 S412 L413 I419 L420 G432 K433	L397-F416 HydrophobicContact CD2-CE1 4.15Å; A400-F416 HydrophobicContact CB-CD1 3.78Å; A400-F416 HydrophobicContact CB-CD2 4.04Å; A400-F416 HydrophobicContact CB-CE1 3.44Å; A400-F416 VanDerWaalsContact CB-CE1 3.44Å; A400-F416 HydrophobicContact CB-CE2 3.73Å; A400-F416 HydrophobicContact CB-CG 4.06Å; A400-F416 HydrophobicContact CB-CZ 3.41Å; A400-F416 VanDerWaalsContact CB-CZ 3.41Å; L404-F416 HydrophobicContact CD1-CE2 3.92Å; L404-F416 HydrophobicContact CD1-CZ 4.29Å; L404-F416 HydrophobicContact CG-CE2 4.09Å; S412-F416 WeakPolarHBondContact O-CD2 3.39Å; S412-F416 PolarHBondContact O-N 3.49Å; S412-F416 WeakPolarHBondContact OG-CE2 3.48Å; L413-F416 PolarHBondContact O-N 3.4Å; F416-I419 HydrophobicContact CD1-CD1 4.38Å; F416-I419 PolarHBondContact O-N 2.91Å; F416-L420 WeakPolarHBondContact O-CB 3.45Å; F416-L420 WeakPolarHBondContact O-CD1 3.48Å; F416-L420 WeakPolarHBondContact O-CG 3.33Å; F416-L420 PolarHBondContact O-N 2.89Å; F416-G432 VanDerWaalsContact CE2-CA 3.41Å; F416-G432 VanDerWaalsContact CZ-CA 3.48Å; F416-K433 HydrophobicContact CB-CB 3.91Å
417	E	97.6	Very high	95.3	Very high	67 Å²	67	59.7 Å²	59.7	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-65.3	-39.5	171.7	-73.4	-169.6	169.6	0	0	112.6	L413 H414 E415 L420 R421 K433	L413-E417 HydrophobicContact CD1-CG 4.28Å; L413-E417 WeakPolarHBondContact O-CB 3.05Å; L413-E417 WeakPolarHBondContact O-CG 3.39Å; L413-E417 PolarHBondContact O-N 2.87Å; H414-E417 PolarHBondContact O-N 2.97Å; E415-E417 VanDerWaalsContact C-N 3.33Å; E415-E417 PolarHBondContact O-N 2.91Å; E417-L420 PolarHBondContact O-N 3.26Å; E417-R421 WeakPolarHBondContact O-CG 3.47Å; E417-R421 PolarHBondContact O-N 3.25Å; E417-R421 VanDerWaalsContact O-N 3.12Å; E417-K433 HydrophobicContact CG-CD 3.86Å; E417-K433 WeakPolarHBondContact OE1-CE 3.4Å; E417-K433 IonicContact OE1-NZ 3.27Å; E417-K433 PolarHBondContact OE1-NZ 2.67Å
418	S	97.6	Very high	95.6	Very high	33 Å²	33	53.4 Å²	53.4	23%	0.231	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-36.8	176	-178.1	0	0	0	0	112.3	R396 H414 E415	R396-S418 PolarHBondContact NH2-OG 2.84Å; H414-S418 WeakPolarHBondContact O-CB 3.45Å; H414-S418 PolarHBondContact O-N 2.73Å; E415-S418 CarbonylContact O-C 3.41Å; E415-S418 WeakPolarHBondContact O-CB 3.33Å; E415-S418 PolarHBondContact O-N 3.41Å; E415-S418 VanDerWaalsContact O-N 3.17Å
419	I	96.3	Very high	95.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-45.9	171.8	-62.7	162.4	0	0	0	110.5	I393 R396 L397 A400 E415 F416 R421 G422 Y423 S429	I393-I419 HydrophobicContact CD1-CG2 3.76Å; R396-I419 HydrophobicContact CB-CD1 3.77Å; R396-I419 HydrophobicContact CB-CG1 3.94Å; L397-I419 HydrophobicContact CD2-CD1 4.23Å; A400-I419 HydrophobicContact CB-CD1 4.36Å; E415-I419 VanDerWaalsContact O-CG1 3.26Å; E415-I419 WeakPolarHBondContact O-CG1 3.41Å; E415-I419 PolarHBondContact O-N 3.13Å; F416-I419 HydrophobicContact CD1-CD1 4.38Å; F416-I419 PolarHBondContact O-N 2.91Å; I419-R421 PolarHBondContact O-N 2.98Å; I419-G422 PolarHBondContact O-N 3.07Å; I419-Y423 HydrophobicContact CG2-CD2 4.3Å; I419-Y423 PolarHBondContact O-N 3.35Å; I419-S429 WeakPolarHBondContact CG2-OG 3.43Å
420	L	96.8	Very high	95.8	Very high	27 Å²	27	50.8 Å²	50.8	14%	0.141	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-23.3	-177.9	-76.2	167.4	0	0	0	114.1	F416 E417 G422 P424 R430 K433	F416-L420 WeakPolarHBondContact O-CB 3.45Å; F416-L420 WeakPolarHBondContact O-CD1 3.48Å; F416-L420 WeakPolarHBondContact O-CG 3.33Å; F416-L420 PolarHBondContact O-N 2.89Å; E417-L420 PolarHBondContact O-N 3.26Å; L420-G422 VanDerWaalsContact C-N 3.33Å; L420-P424 WeakPolarHBondContact O-CA 2.86Å; L420-R430 HydrophobicContact CD1-CG 4.3Å; L420-R430 HydrophobicContact CD2-CG 3.81Å; L420-K433 HydrophobicContact CD1-CB 4.27Å; L420-K433 HydrophobicContact CD1-CD 3.99Å
421	R	96.8	Very high	95.7	Very high	192 Å²	192	45 Å²	45	73%	0.725	23%	0.227	S	C	*	.	H	α-helix	trans	-61.6	-38.4	171	-70.2	174.8	-160.5	-164.4	7.7	112.6	E417 I419	E417-R421 WeakPolarHBondContact O-CG 3.47Å; E417-R421 PolarHBondContact O-N 3.25Å; E417-R421 VanDerWaalsContact O-N 3.12Å; I419-R421 PolarHBondContact O-N 2.98Å
422	G	95.6	Very high	95.6	Very high	54 Å²	54	40.7 Å²	40.7	56%	0.557	21%	0.207	S	C	*	.	H	α-helix	trans	-91.9	-29	177.2	0	0	0	0	0	113.7	I419 L420 P424	I419-G422 PolarHBondContact O-N 3.07Å; L420-G422 VanDerWaalsContact C-N 3.33Å; G422-P424 WeakPolarHBondContact O-CD 3.06Å
423	Y	95.2	Very high	95.7	Very high	101 Å²	101	43.3 Å²	43.3	40%	0.396	22%	0.218	S	C	.	.			trans	-125.1	61.2	-173.6	-62.7	-86.5	0	0	0	111.9	L389 I393 I419 T425 S426	L389-Y423 HydrophobicContact CD2-CD1 4Å; I393-Y423 HydrophobicContact CD1-CG 4.15Å; I393-Y423 HydrophobicContact CG2-CD1 3.84Å; I393-Y423 HydrophobicContact CG2-CD2 3.76Å; I393-Y423 HydrophobicContact CG2-CE1 3.56Å; I393-Y423 HydrophobicContact CG2-CE2 3.48Å; I393-Y423 VanDerWaalsContact CG2-CE2 3.48Å; I393-Y423 HydrophobicContact CG2-CG 3.94Å; I419-Y423 HydrophobicContact CG2-CD2 4.3Å; I419-Y423 PolarHBondContact O-N 3.35Å; Y423-T425 PolarHBondContact O-N 3.05Å; Y423-S426 WeakPolarHBondContact O-CB 2.95Å; Y423-S426 PolarHBondContact O-N 3.24Å
424	P	94.5	Very high	95.7	Very high	75 Å²	75	42.3 Å²	42.3	49%	0.487	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	5.6	-171.2	30.5	-38.3	0	0	0	114.7	L420 G422 R430	L420-P424 WeakPolarHBondContact O-CA 2.86Å; G422-P424 WeakPolarHBondContact O-CD 3.06Å; P424-R430 PolarHBondContact O-NH1 3.38Å; P424-R430 PolarHBondContact O-NH2 2.99Å
425	T	94.3	Very high	95.5	Very high	74 Å²	74	37.6 Å²	37.6	45%	0.454	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	0.5	173.2	48.9	0	0	0	0	113.7	L389 Y423 P427	L389-T425 VanDerWaalsContact CD1-OG1 3.31Å; L389-T425 WeakPolarHBondContact CD1-OG1 3.46Å; Y423-T425 PolarHBondContact O-N 3.05Å; T425-P427 WeakPolarHBondContact O-CD 3.35Å
426	S	94.8	Very high	95.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.			trans	-60.5	120	176.5	172.3	0	0	0	0	111.8	D390 Y423 S429 R430	D390-S426 WeakPolarHBondContact OD1-CA 3.19Å; D390-S426 VanDerWaalsContact OD1-CB 3.25Å; D390-S426 WeakPolarHBondContact OD1-CB 3.15Å; D390-S426 PolarHBondContact OD1-OG 3.06Å; Y423-S426 WeakPolarHBondContact O-CB 2.95Å; Y423-S426 PolarHBondContact O-N 3.24Å; S426-S429 WeakPolarHBondContact CB-OG 3.37Å; S426-S429 VanDerWaalsContact OG-CB 3.28Å; S426-S429 WeakPolarHBondContact OG-CB 3.37Å; S426-S429 PolarHBondContact OG-N 2.94Å; S426-S429 PolarHBondContact OG-OG 3.31Å; S426-R430 PolarHBondContact O-N 2.8Å
427	P	94.7	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-48.5	170.8	-23.1	35.9	0	0	0	112.4	N387 D390 T425 S429 R430 Y431 L463 V466 L470	N387-P427 WeakPolarHBondContact ND2-CD 3.31Å; N387-P427 WeakPolarHBondContact ND2-CG 3.29Å; D390-P427 WeakPolarHBondContact OD2-CD 3.41Å; T425-P427 WeakPolarHBondContact O-CD 3.35Å; P427-S429 VanDerWaalsContact C-N 3.35Å; P427-S429 PolarHBondContact O-N 2.91Å; P427-R430 PolarHBondContact O-N 3.25Å; P427-Y431 PolarHBondContact O-N 2.89Å; P427-L463 HydrophobicContact CB-CD1 4.14Å; P427-L463 HydrophobicContact CG-CD1 4.02Å; P427-V466 HydrophobicContact CB-CG1 4.31Å; P427-V466 HydrophobicContact CB-CG2 4.26Å; P427-V466 HydrophobicContact CG-CG2 4.27Å; P427-L470 HydrophobicContact CB-CD2 3.64Å
428	R	92.3	Very high	95.2	Very high	8 Å²	8	32.8 Å²	32.8	3%	0.03	17%	0.169	C	C	.	.	H	α-helix	trans	-64.1	-36.8	-177	-172.4	163.8	169.1	171.2	8.7	112.6	L378 K382 T386 D390 L397 D401 Y431 G432 L470	L378-R428 PolarHBondContact O-NH2 2.81Å; K382-R428 PolarHBondContact O-NH1 3.01Å; T386-R428 PolarHBondContact OG1-NH1 3.14Å; D390-R428 HydrophobicContact CB-CB 4.28Å; D390-R428 VanDerWaalsContact OD2-CB 3.23Å; D390-R428 WeakPolarHBondContact OD2-CB 2.84Å; D390-R428 PolarHBondContact OD2-N 2.92Å; L397-R428 HydrophobicContact CD1-CB 4.2Å; L397-R428 HydrophobicContact CD1-CG 4.18Å; L397-R428 HydrophobicContact CD2-CB 4.41Å; L397-R428 HydrophobicContact CD2-CG 4.21Å; D401-R428 IonicContact OD2-CZ 2.9Å; D401-R428 IonicContact OD2-NE 2.64Å; D401-R428 PolarHBondContact OD2-NE 3.33Å; D401-R428 IonicContact OD2-NH2 2.99Å; D401-R428 PolarHBondContact OD2-NH2 2.88Å; R428-Y431 PolarHBondContact O-N 3.43Å; R428-G432 PolarHBondContact O-N 2.89Å; R428-L470 HydrophobicContact CB-CD2 4.49Å
429	S	94.1	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.8	-37	175.5	-48.9	0	0	0	0	112.9	L397 I419 S426 P427 K433	L397-S429 WeakPolarHBondContact CD2-OG 3.49Å; I419-S429 WeakPolarHBondContact CG2-OG 3.43Å; S426-S429 WeakPolarHBondContact CB-OG 3.37Å; S426-S429 VanDerWaalsContact OG-CB 3.28Å; S426-S429 WeakPolarHBondContact OG-CB 3.37Å; S426-S429 PolarHBondContact OG-N 2.94Å; S426-S429 PolarHBondContact OG-OG 3.31Å; P427-S429 VanDerWaalsContact C-N 3.35Å; P427-S429 PolarHBondContact O-N 2.91Å; S429-K433 PolarHBondContact O-N 3.22Å; S429-K433 VanDerWaalsContact O-N 3.09Å
430	R	96.1	Very high	94.7	Very high	57 Å²	57	32.7 Å²	32.7	22%	0.215	17%	0.165	C	C	.	.	H	α-helix	trans	-67.9	-41.5	173.5	-84.2	-165.8	-179	64.4	-2.4	112	L420 P424 S426 P427 K433 A434 A459 V460	L420-R430 HydrophobicContact CD1-CG 4.3Å; L420-R430 HydrophobicContact CD2-CG 3.81Å; P424-R430 PolarHBondContact O-NH1 3.38Å; P424-R430 PolarHBondContact O-NH2 2.99Å; S426-R430 PolarHBondContact O-N 2.8Å; P427-R430 PolarHBondContact O-N 3.25Å; R430-K433 PolarHBondContact O-N 3.13Å; R430-A434 WeakPolarHBondContact O-CB 3.42Å; R430-A434 PolarHBondContact O-N 3.32Å; R430-A459 VanDerWaalsContact CD-O 3.28Å; R430-A459 WeakPolarHBondContact CD-O 3.19Å; R430-V460 HydrophobicContact CB-CG2 3.6Å
431	Y	94.6	Very high	94.5	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-45.3	177.8	-178.1	-100.7	0	0	0	111.1	L378 P427 R428 K433 A434 V435 Y457 L470 M473 A474	L378-Y431 HydrophobicContact CD1-CD1 4.43Å; L378-Y431 HydrophobicContact CD1-CE1 4.17Å; L378-Y431 HydrophobicContact CD2-CD1 4.4Å; L378-Y431 HydrophobicContact CD2-CE1 4.34Å; L378-Y431 HydrophobicContact CG-CE1 4.46Å; P427-Y431 PolarHBondContact O-N 2.89Å; R428-Y431 PolarHBondContact O-N 3.43Å; Y431-K433 PolarHBondContact O-N 3.08Å; Y431-A434 WeakPolarHBondContact O-CA 3.39Å; Y431-A434 WeakPolarHBondContact O-CB 3.32Å; Y431-A434 PolarHBondContact O-N 3.46Å; Y431-V435 HydrophobicContact CD1-CG2 4.12Å; Y431-V435 HydrophobicContact CE1-CG2 3.65Å; Y431-V435 HydrophobicContact CE2-CG2 4.23Å; Y431-V435 WeakPolarHBondContact O-CG2 3.34Å; Y431-V435 PolarHBondContact O-N 2.75Å; Y431-Y457 HydrophobicContact CD2-CD1 4.06Å; Y431-Y457 AromaticContact CD2-CE1 3.92Å; Y431-Y457 HydrophobicContact CD2-CE1 3.92Å; Y431-Y457 HydrophobicContact CE2-CD1 4.1Å; Y431-Y457 AromaticContact CE2-CE1 3.65Å; Y431-Y457 HydrophobicContact CE2-CE1 3.65Å; Y431-L470 HydrophobicContact CD1-CD1 3.63Å; Y431-L470 HydrophobicContact CD2-CD1 3.93Å; Y431-L470 HydrophobicContact CE1-CD1 4.2Å; Y431-L470 HydrophobicContact CE2-CD1 4.48Å; Y431-L470 HydrophobicContact CG-CD1 3.48Å; Y431-L470 VanDerWaalsContact CG-CD1 3.48Å; Y431-M473 HydrophobicContact CE1-CE 4.05Å; Y431-M473 HydrophobicContact CE2-CB 4.21Å; Y431-A474 HydrophobicContact CD2-CB 3.96Å; Y431-A474 HydrophobicContact CE2-CB 4.16Å
432	G	93.6	Very high	94	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-53	-54.3	172.3	0	0	0	0	0	112.4	F416 R428 A434 V435 S436	F416-G432 VanDerWaalsContact CE2-CA 3.41Å; F416-G432 VanDerWaalsContact CZ-CA 3.48Å; R428-G432 PolarHBondContact O-N 2.89Å; G432-A434 VanDerWaalsContact C-N 3.27Å; G432-A434 PolarHBondContact O-N 3.03Å; G432-V435 PolarHBondContact O-N 2.99Å; G432-V435 VanDerWaalsContact O-N 3.11Å; G432-S436 PolarHBondContact O-N 3.04Å; G432-S436 PolarHBondContact O-OG 3.04Å
433	K	96.1	Very high	93.5	Very high	55 Å²	55	26.6 Å²	26.6	24%	0.239	14%	0.142	C	C	.	.	H	α-helix	trans	-54	-40.3	173.4	163.2	162.2	179.3	162.9	0	113.2	L413 F416 E417 L420 S429 R430 Y431 L437	L413-K433 HydrophobicContact CD1-CB 4.3Å; L413-K433 HydrophobicContact CD1-CD 4.13Å; L413-K433 HydrophobicContact CD1-CG 3.73Å; F416-K433 HydrophobicContact CB-CB 3.91Å; E417-K433 HydrophobicContact CG-CD 3.86Å; E417-K433 WeakPolarHBondContact OE1-CE 3.4Å; E417-K433 IonicContact OE1-NZ 3.27Å; E417-K433 PolarHBondContact OE1-NZ 2.67Å; L420-K433 HydrophobicContact CD1-CB 4.27Å; L420-K433 HydrophobicContact CD1-CD 3.99Å; S429-K433 PolarHBondContact O-N 3.22Å; S429-K433 VanDerWaalsContact O-N 3.09Å; R430-K433 PolarHBondContact O-N 3.13Å; Y431-K433 PolarHBondContact O-N 3.08Å; K433-L437 HydrophobicContact CG-CD1 4.04Å; K433-L437 WeakPolarHBondContact O-CG 3.34Å; K433-L437 PolarHBondContact O-N 2.9Å; K433-L437 VanDerWaalsContact O-N 3.08Å
434	A	96.5	Very high	93.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-43	178.4	0	0	0	0	0	111.6	R430 Y431 G432 L437 D438 A456 Y457	R430-A434 WeakPolarHBondContact O-CB 3.42Å; R430-A434 PolarHBondContact O-N 3.32Å; Y431-A434 WeakPolarHBondContact O-CA 3.39Å; Y431-A434 WeakPolarHBondContact O-CB 3.32Å; Y431-A434 PolarHBondContact O-N 3.46Å; G432-A434 VanDerWaalsContact C-N 3.27Å; G432-A434 PolarHBondContact O-N 3.03Å; A434-L437 PolarHBondContact O-N 3.11Å; A434-D438 WeakPolarHBondContact O-CB 3.39Å; A434-D438 PolarHBondContact O-N 2.99Å; A434-A456 HydrophobicContact CB-CB 3.59Å; A434-Y457 HydrophobicContact CB-CD1 3.41Å; A434-Y457 VanDerWaalsContact CB-CD1 3.41Å; A434-Y457 HydrophobicContact CB-CD2 4.01Å; A434-Y457 HydrophobicContact CB-CE1 3.47Å; A434-Y457 VanDerWaalsContact CB-CE1 3.47Å; A434-Y457 HydrophobicContact CB-CE2 4.08Å; A434-Y457 HydrophobicContact CB-CG 3.68Å
435	V	94	Very high	92.7	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-43	174.6	175.4	0	0	0	0	111.6	T375 L404 Y431 G432 L437 D438 L439 Y457	T375-V435 HydrophobicContact CG2-CG1 4.3Å; T375-V435 HydrophobicContact CG2-CG2 4.13Å; L404-V435 HydrophobicContact CD1-CB 4.3Å; L404-V435 HydrophobicContact CD1-CG1 3.98Å; L404-V435 HydrophobicContact CD2-CG1 4.16Å; Y431-V435 HydrophobicContact CD1-CG2 4.12Å; Y431-V435 HydrophobicContact CE1-CG2 3.65Å; Y431-V435 HydrophobicContact CE2-CG2 4.23Å; Y431-V435 WeakPolarHBondContact O-CG2 3.34Å; Y431-V435 PolarHBondContact O-N 2.75Å; G432-V435 PolarHBondContact O-N 2.99Å; G432-V435 VanDerWaalsContact O-N 3.11Å; V435-L437 VanDerWaalsContact C-N 3.31Å; V435-L437 PolarHBondContact O-N 2.7Å; V435-D438 PolarHBondContact O-N 3.06Å; V435-L439 HydrophobicContact CG1-CD1 3.96Å; V435-L439 HydrophobicContact CG1-CG 4.32Å; V435-L439 WeakPolarHBondContact O-CG 3.42Å; V435-L439 PolarHBondContact O-N 3.06Å; V435-Y457 HydrophobicContact CG2-CE1 4.22Å
436	S	94.2	Very high	92.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-44.2	175.4	-43.6	0	0	0	0	111.2	L404 S412 G432 L440	L404-S436 WeakPolarHBondContact CD2-OG 3.29Å; S412-S436 PolarHBondContact OG-OG 2.57Å; S412-S436 VanDerWaalsContact OG-OG 3.12Å; G432-S436 PolarHBondContact O-N 3.04Å; G432-S436 PolarHBondContact O-OG 3.04Å; S436-L440 WeakPolarHBondContact O-CB 3.35Å; S436-L440 WeakPolarHBondContact O-CD1 3.42Å; S436-L440 WeakPolarHBondContact O-CG 3.41Å; S436-L440 PolarHBondContact O-N 3.28Å
437	L	96.5	Very high	92.3	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-67.8	-40.2	176.9	-72.9	166.9	0	0	0	112.7	L413 K433 A434 V435 L440 S441 I449 R452 A453 A456	L413-L437 HydrophobicContact CD1-CD1 4.46Å; L413-L437 HydrophobicContact CD1-CD2 4.32Å; L413-L437 HydrophobicContact CD1-CG 4.01Å; L413-L437 HydrophobicContact CD2-CD2 3.75Å; L413-L437 HydrophobicContact CD2-CG 4.26Å; K433-L437 HydrophobicContact CG-CD1 4.04Å; K433-L437 WeakPolarHBondContact O-CG 3.34Å; K433-L437 PolarHBondContact O-N 2.9Å; K433-L437 VanDerWaalsContact O-N 3.08Å; A434-L437 PolarHBondContact O-N 3.11Å; V435-L437 VanDerWaalsContact C-N 3.31Å; V435-L437 PolarHBondContact O-N 2.7Å; L437-L440 PolarHBondContact O-N 2.97Å; L437-S441 WeakPolarHBondContact O-CB 3.38Å; L437-S441 PolarHBondContact O-N 2.79Å; L437-I449 HydrophobicContact CB-CG2 4.46Å; L437-I449 HydrophobicContact CD2-CG2 3.99Å; L437-I449 VanDerWaalsContact O-CG2 3.28Å; L437-I449 WeakPolarHBondContact O-CG2 3.29Å; L437-R452 HydrophobicContact CD1-CB 4.35Å; L437-A453 HydrophobicContact CB-CB 3.7Å; L437-A456 HydrophobicContact CD1-CB 4.18Å
438	D	94.1	Very high	92.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-51	178.4	-161.6	-30.4	0	0	0	110.7	A434 V435 L440 S441 D442 A453 Y457 R477 R481	A434-D438 WeakPolarHBondContact O-CB 3.39Å; A434-D438 PolarHBondContact O-N 2.99Å; V435-D438 PolarHBondContact O-N 3.06Å; D438-L440 PolarHBondContact O-N 3.24Å; D438-S441 WeakPolarHBondContact O-CA 3.42Å; D438-S441 WeakPolarHBondContact O-CB 3.41Å; D438-S441 PolarHBondContact O-N 3.02Å; D438-S441 PolarHBondContact O-OG 3.48Å; D438-D442 PolarHBondContact O-N 3.04Å; D438-A453 HydrophobicContact CB-CB 4.11Å; D438-Y457 HydrophobicContact CB-CE2 4.17Å; D438-Y457 WeakPolarHBondContact OD2-CE2 3.25Å; D438-Y457 PolarHBondContact OD2-OH 3.46Å; D438-R477 IonicContact OD1-CZ 2.7Å; D438-R477 IonicContact OD1-NE 3.59Å; D438-R477 PolarHBondContact OD1-NE 3.06Å; D438-R477 IonicContact OD1-NH2 3.65Å; D438-R477 PolarHBondContact OD1-NH2 2.99Å; D438-R477 WeakPolarHBondContact OD2-CG 3.43Å; D438-R477 IonicContact OD2-CZ 3.88Å; D438-R477 IonicContact OD2-NE 2.65Å; D438-R477 PolarHBondContact OD2-NE 3.46Å; D438-R477 IonicContact OD2-NH2 2.65Å; D438-R481 IonicContact OD1-CZ 3.3Å; D438-R481 IonicContact OD1-NE 3.57Å; D438-R481 IonicContact OD1-NH1 2.57Å; D438-R481 PolarHBondContact OD1-NH1 3.24Å
439	L	91.1	Very high	92.5	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.11	19%	0.188	C	C	.	.	H	α-helix	trans	-65.9	-36	177.4	-63.4	178.5	0	0	0	112.6	L409 V435 S441 D442 S443	L409-L439 HydrophobicContact CD1-CB 3.67Å; L409-L439 HydrophobicContact CD2-CB 3.91Å; L409-L439 HydrophobicContact CD2-CD1 3.86Å; L409-L439 HydrophobicContact CG-CB 4.43Å; V435-L439 HydrophobicContact CG1-CD1 3.96Å; V435-L439 HydrophobicContact CG1-CG 4.32Å; V435-L439 WeakPolarHBondContact O-CG 3.42Å; V435-L439 PolarHBondContact O-N 3.06Å; L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 2.99Å; L439-D442 PolarHBondContact O-N 2.89Å; L439-S443 VanDerWaalsContact O-CB 3.3Å; L439-S443 WeakPolarHBondContact O-CB 3.24Å; L439-S443 PolarHBondContact O-N 2.97Å
440	L	92.8	Very high	92.5	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-30.9	170.7	-78	167.7	0	0	0	112.3	L409 E410 L413 S436 L437 D438 N444 I449	L409-L440 HydrophobicContact CB-CD1 4.29Å; L409-L440 HydrophobicContact CB-CD2 3.72Å; L409-L440 HydrophobicContact CB-CG 3.71Å; L409-L440 HydrophobicContact CD1-CD2 4.09Å; L409-L440 HydrophobicContact CD1-CG 4.11Å; E410-L440 HydrophobicContact CG-CD2 4.25Å; E410-L440 WeakPolarHBondContact OE1-CD2 3.18Å; L413-L440 HydrophobicContact CD2-CD1 3.85Å; S436-L440 WeakPolarHBondContact O-CB 3.35Å; S436-L440 WeakPolarHBondContact O-CD1 3.42Å; S436-L440 WeakPolarHBondContact O-CG 3.41Å; S436-L440 PolarHBondContact O-N 3.28Å; L437-L440 PolarHBondContact O-N 2.97Å; D438-L440 PolarHBondContact O-N 3.24Å; L440-N444 VanDerWaalsContact O-CB 3.25Å; L440-N444 WeakPolarHBondContact O-CB 3.39Å; L440-N444 PolarHBondContact O-N 3.38Å; L440-N444 PolarHBondContact O-ND2 3.47Å; L440-I449 HydrophobicContact CB-CG2 3.92Å
441	S	92.6	Very high	92.6	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	19%	0.19	C	C	.	.	H	α-helix	trans	-74.6	-37.4	178.7	79.8	0	0	0	0	112.6	L437 D438 L439 Q445 S446 L450	L437-S441 WeakPolarHBondContact O-CB 3.38Å; L437-S441 PolarHBondContact O-N 2.79Å; D438-S441 WeakPolarHBondContact O-CA 3.42Å; D438-S441 WeakPolarHBondContact O-CB 3.41Å; D438-S441 PolarHBondContact O-N 3.02Å; D438-S441 PolarHBondContact O-OG 3.48Å; L439-S441 VanDerWaalsContact C-N 3.27Å; L439-S441 PolarHBondContact O-N 2.99Å; S441-Q445 CarbonylContact O-C 3.56Å; S441-Q445 WeakPolarHBondContact O-CA 3.28Å; S441-Q445 PolarHBondContact O-N 2.81Å; S441-S446 PolarHBondContact O-N 3.03Å; S441-L450 VanDerWaalsContact CB-CA 3.48Å
442	D	85.3	Confident	92.7	Very high	52 Å²	52	40.8 Å²	40.8	28%	0.278	21%	0.211	S	C	.	.	H	α-helix	trans	-67.5	-46.8	171.5	-74.6	-30.9	0	0	0	110.5	D438 L439 N444 Q445 R477 R481	D438-D442 PolarHBondContact O-N 3.04Å; L439-D442 PolarHBondContact O-N 2.89Å; D442-N444 PolarHBondContact O-N 3.04Å; D442-Q445 PolarHBondContact O-N 3.13Å; D442-R477 IonicContact OD2-NH2 2.3Å; D442-R481 IonicContact OD1-CZ 2.78Å; D442-R481 IonicContact OD1-NH1 2.99Å; D442-R481 PolarHBondContact OD1-NH1 3.11Å; D442-R481 IonicContact OD2-CZ 3.29Å; D442-R481 IonicContact OD2-NH1 3.69Å; D442-R481 PolarHBondContact OD2-NH1 2.97Å; D442-R481 IonicContact OD2-NH2 2.82Å
443	S	85.9	Confident	92.9	Very high	89 Å²	89	40.7 Å²	40.7	62%	0.622	21%	0.211	S	C	*	.	H	α-helix	trans	-62.8	-41.9	-179.9	-170.7	0	0	0	0	113.6	L439	L439-S443 VanDerWaalsContact O-CB 3.3Å; L439-S443 WeakPolarHBondContact O-CB 3.24Å; L439-S443 PolarHBondContact O-N 2.97Å
444	N	88.5	Confident	93	Very high	89 Å²	89	38.1 Å²	38.1	48%	0.476	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	5.1	179.1	-63.1	-62.3	0	0	0	113.2	L440 D442 S446 I449	L440-N444 VanDerWaalsContact O-CB 3.25Å; L440-N444 WeakPolarHBondContact O-CB 3.39Å; L440-N444 PolarHBondContact O-N 3.38Å; L440-N444 PolarHBondContact O-ND2 3.47Å; D442-N444 PolarHBondContact O-N 3.04Å; N444-S446 PolarHBondContact O-N 2.78Å; N444-I449 HydrophobicContact CB-CD1 4.15Å
445	Q	84.9	Confident	93	Very high	120 Å²	120	44.3 Å²	44.3	56%	0.561	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	33.3	-175.8	-56.9	-170.9	-15.8	0	0	114.2	S441 D442	S441-Q445 CarbonylContact O-C 3.56Å; S441-Q445 WeakPolarHBondContact O-CA 3.28Å; S441-Q445 PolarHBondContact O-N 2.81Å; D442-Q445 PolarHBondContact O-N 3.13Å
446	S	90.4	Very high	93.2	Very high	37 Å²	37	44.7 Å²	44.7	26%	0.259	23%	0.227	S	C	.	.			trans	-108.2	114.2	-163.6	-179	0	0	0	0	113.3	S441 N444 D448 I449 L450	S441-S446 PolarHBondContact O-N 3.03Å; N444-S446 PolarHBondContact O-N 2.78Å; S446-D448 VanDerWaalsContact C-N 3.3Å; S446-D448 PolarHBondContact O-N 3.3Å; S446-I449 PolarHBondContact O-N 3.22Å; S446-L450 PolarHBondContact O-N 2.89Å
447	N	89.9	Confident	93.4	Very high	74 Å²	74	44.7 Å²	44.7	40%	0.396	23%	0.227	S	C	.	.	H	α-helix	trans	-62.1	-30.9	175.7	-76.2	-38.2	0	0	0	113.2	L450 E451	N447-L450 PolarHBondContact O-N 3.31Å; N447-E451 WeakPolarHBondContact O-CB 3.16Å; N447-E451 VanDerWaalsContact O-CG 3.29Å; N447-E451 WeakPolarHBondContact O-CG 3.1Å; N447-E451 PolarHBondContact O-N 2.87Å
448	D	95.5	Very high	93.4	Very high	95 Å²	95	46 Å²	46	51%	0.508	23%	0.233	S	C	.	.	H	α-helix	trans	-61.3	-48.2	174.9	171.7	85.6	0	0	0	111.4	S446 L450 E451 R452	S446-D448 VanDerWaalsContact C-N 3.3Å; S446-D448 PolarHBondContact O-N 3.3Å; D448-L450 VanDerWaalsContact C-N 3.3Å; D448-L450 PolarHBondContact O-N 2.98Å; D448-E451 PolarHBondContact O-N 3.2Å; D448-R452 WeakPolarHBondContact O-CD 3.12Å; D448-R452 WeakPolarHBondContact O-CG 3.26Å; D448-R452 PolarHBondContact O-N 3.24Å; D448-R452 WeakPolarHBondContact OD2-CD 3.19Å; D448-R452 IonicContact OD2-CZ 3.69Å; D448-R452 IonicContact OD2-NH1 3.37Å; D448-R452 PolarHBondContact OD2-NH1 2.92Å; D448-R452 VanDerWaalsContact OD2-NH1 3.07Å
449	I	95	Very high	93.4	Very high	27 Å²	27	47.9 Å²	47.9	14%	0.138	25%	0.249	C	C	.	.	H	α-helix	trans	-67.4	-37.2	-179.3	-52.2	178.9	0	0	0	109.6	L437 L440 N444 S446 R452 A453	L437-I449 HydrophobicContact CB-CG2 4.46Å; L437-I449 HydrophobicContact CD2-CG2 3.99Å; L437-I449 VanDerWaalsContact O-CG2 3.28Å; L437-I449 WeakPolarHBondContact O-CG2 3.29Å; L440-I449 HydrophobicContact CB-CG2 3.92Å; N444-I449 HydrophobicContact CB-CD1 4.15Å; S446-I449 PolarHBondContact O-N 3.22Å; I449-R452 WeakPolarHBondContact O-CB 3.29Å; I449-R452 PolarHBondContact O-N 2.8Å; I449-A453 PolarHBondContact O-N 3.45Å
450	L	94.7	Very high	93.7	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-42.3	175.6	179.1	53.8	0	0	0	111.9	S441 S446 N447 D448 R452 A453 I454 R481 F484 R485	S441-L450 VanDerWaalsContact CB-CA 3.48Å; S446-L450 PolarHBondContact O-N 2.89Å; N447-L450 PolarHBondContact O-N 3.31Å; D448-L450 VanDerWaalsContact C-N 3.3Å; D448-L450 PolarHBondContact O-N 2.98Å; L450-R452 VanDerWaalsContact C-N 3.34Å; L450-A453 WeakPolarHBondContact O-CB 3.14Å; L450-A453 PolarHBondContact O-N 3.12Å; L450-I454 HydrophobicContact CD1-CD1 4.4Å; L450-I454 HydrophobicContact CG-CD1 4.24Å; L450-I454 WeakPolarHBondContact O-CG1 3.17Å; L450-I454 PolarHBondContact O-N 2.73Å; L450-R481 HydrophobicContact CD1-CB 4.02Å; L450-R481 VanDerWaalsContact CD1-CD 3.48Å; L450-R481 HydrophobicContact CD1-CG 4.12Å; L450-F484 HydrophobicContact CD2-CD1 3.55Å; L450-F484 HydrophobicContact CD2-CE1 3.72Å; L450-R485 HydrophobicContact CD2-CG 4.07Å; L450-R485 HydrophobicContact CG-CG 4.31Å
451	E	97.7	Very high	93.7	Very high	50 Å²	50	46.6 Å²	46.6	23%	0.234	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-39.8	175.7	-72.6	-178.7	-158.3	0	0	111.2	N447 D448 A453 I454 Y455 R485 W487	N447-E451 WeakPolarHBondContact O-CB 3.16Å; N447-E451 VanDerWaalsContact O-CG 3.29Å; N447-E451 WeakPolarHBondContact O-CG 3.1Å; N447-E451 PolarHBondContact O-N 2.87Å; D448-E451 PolarHBondContact O-N 3.2Å; E451-A453 VanDerWaalsContact C-N 3.33Å; E451-A453 PolarHBondContact O-N 3.05Å; E451-I454 WeakPolarHBondContact O-CB 3.46Å; E451-I454 PolarHBondContact O-N 3.31Å; E451-Y455 WeakPolarHBondContact O-CD2 3.45Å; E451-Y455 PolarHBondContact O-N 3.37Å; E451-R485 IonicContact OE1-CZ 3.53Å; E451-R485 IonicContact OE1-NE 3.62Å; E451-R485 PolarHBondContact OE1-NE 3.3Å; E451-R485 IonicContact OE1-NH2 2.85Å; E451-R485 PolarHBondContact OE1-NH2 2.83Å; E451-W487 HydrophobicContact CB-CH2 3.83Å; E451-W487 HydrophobicContact CB-CZ3 4.33Å; E451-W487 HydrophobicContact CG-CH2 3.36Å; E451-W487 HydrophobicContact CG-CZ2 3.71Å; E451-W487 HydrophobicContact CG-CZ3 4.01Å; E451-W487 VanDerWaalsContact OE2-CH2 3.25Å; E451-W487 WeakPolarHBondContact OE2-CH2 3.35Å; E451-W487 VanDerWaalsContact OE2-CZ2 3.3Å; E451-W487 WeakPolarHBondContact OE2-CZ2 3.44Å
452	R	98	Very high	93.7	Very high	117 Å²	117	51.1 Å²	51.1	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-37.4	171.6	-70.3	160.2	58.5	-166.1	-3.1	112.4	L437 D448 I449 L450 Y455 A456	L437-R452 HydrophobicContact CD1-CB 4.35Å; D448-R452 WeakPolarHBondContact O-CD 3.12Å; D448-R452 WeakPolarHBondContact O-CG 3.26Å; D448-R452 PolarHBondContact O-N 3.24Å; D448-R452 WeakPolarHBondContact OD2-CD 3.19Å; D448-R452 IonicContact OD2-CZ 3.69Å; D448-R452 IonicContact OD2-NH1 3.37Å; D448-R452 PolarHBondContact OD2-NH1 2.92Å; D448-R452 VanDerWaalsContact OD2-NH1 3.07Å; I449-R452 WeakPolarHBondContact O-CB 3.29Å; I449-R452 PolarHBondContact O-N 2.8Å; L450-R452 VanDerWaalsContact C-N 3.34Å; R452-Y455 PolarHBondContact O-N 2.88Å; R452-A456 WeakPolarHBondContact O-CB 3.25Å; R452-A456 PolarHBondContact O-N 2.8Å
453	A	97.1	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-45	172.3	0	0	0	0	0	111.6	L437 D438 I449 L450 E451 Y455 A456 Y457	L437-A453 HydrophobicContact CB-CB 3.7Å; D438-A453 HydrophobicContact CB-CB 4.11Å; I449-A453 PolarHBondContact O-N 3.45Å; L450-A453 WeakPolarHBondContact O-CB 3.14Å; L450-A453 PolarHBondContact O-N 3.12Å; E451-A453 VanDerWaalsContact C-N 3.33Å; E451-A453 PolarHBondContact O-N 3.05Å; A453-Y455 PolarHBondContact O-N 2.8Å; A453-A456 WeakPolarHBondContact O-CA 3.39Å; A453-A456 WeakPolarHBondContact O-CB 3.28Å; A453-A456 PolarHBondContact O-N 2.82Å; A453-Y457 HydrophobicContact CB-CE2 4.44Å; A453-Y457 WeakPolarHBondContact O-CD2 3.47Å; A453-Y457 PolarHBondContact O-N 3.44Å
454	I	97.7	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-45.4	175.2	-73.5	165.1	0	0	0	111.4	L450 E451 A456 Y457 E458 L478 R481 R485 W487 K490	L450-I454 HydrophobicContact CD1-CD1 4.4Å; L450-I454 HydrophobicContact CG-CD1 4.24Å; L450-I454 WeakPolarHBondContact O-CG1 3.17Å; L450-I454 PolarHBondContact O-N 2.73Å; E451-I454 WeakPolarHBondContact O-CB 3.46Å; E451-I454 PolarHBondContact O-N 3.31Å; I454-A456 VanDerWaalsContact C-N 3.31Å; I454-A456 PolarHBondContact O-N 2.86Å; I454-Y457 PolarHBondContact O-N 3.22Å; I454-E458 WeakPolarHBondContact O-CB 3.38Å; I454-E458 PolarHBondContact O-N 3.38Å; I454-L478 HydrophobicContact CB-CD1 4.41Å; I454-L478 HydrophobicContact CG2-CD1 3.82Å; I454-L478 WeakPolarHBondContact O-CD1 3.3Å; I454-R481 HydrophobicContact CD1-CB 4.16Å; I454-R481 HydrophobicContact CG1-CB 3.87Å; I454-R485 HydrophobicContact CD1-CB 4.32Å; I454-R485 HydrophobicContact CD1-CG 3.66Å; I454-W487 HydrophobicContact CB-CZ3 4.46Å; I454-W487 HydrophobicContact CD1-CE3 4.25Å; I454-W487 HydrophobicContact CD1-CZ3 4.46Å; I454-W487 HydrophobicContact CG2-CE3 3.85Å; I454-W487 HydrophobicContact CG2-CZ3 3.85Å; I454-K490 HydrophobicContact CG2-CD 4.24Å
455	Y	97.8	Very high	93.9	Very high	130 Å²	130	52.1 Å²	52.1	51%	0.51	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-32.9	174.1	-74.2	-69	0	0	0	112.7	E451 R452 A453 A459 W487	E451-Y455 WeakPolarHBondContact O-CD2 3.45Å; E451-Y455 PolarHBondContact O-N 3.37Å; R452-Y455 PolarHBondContact O-N 2.88Å; A453-Y455 PolarHBondContact O-N 2.8Å; Y455-A459 WeakPolarHBondContact O-CB 3.36Å; Y455-A459 PolarHBondContact O-N 2.9Å; Y455-W487 HydrophobicContact CE2-CH2 4.06Å; Y455-W487 HydrophobicContact CE2-CZ3 4.14Å
456	A	97.3	Very high	94.2	Very high	11 Å²	11	47 Å²	47	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-68.9	-43.4	175.6	0	0	0	0	0	112.4	A434 L437 R452 A453 I454 A459 V460	A434-A456 HydrophobicContact CB-CB 3.59Å; L437-A456 HydrophobicContact CD1-CB 4.18Å; R452-A456 WeakPolarHBondContact O-CB 3.25Å; R452-A456 PolarHBondContact O-N 2.8Å; A453-A456 WeakPolarHBondContact O-CA 3.39Å; A453-A456 WeakPolarHBondContact O-CB 3.28Å; A453-A456 PolarHBondContact O-N 2.82Å; I454-A456 VanDerWaalsContact C-N 3.31Å; I454-A456 PolarHBondContact O-N 2.86Å; A456-A459 WeakPolarHBondContact O-CB 3.46Å; A456-A459 PolarHBondContact O-N 3.43Å; A456-V460 PolarHBondContact O-N 3.24Å
457	Y	97.5	Very high	94.3	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-39.3	171.8	-66.7	-66.1	0	0	0	112.1	Y431 A434 V435 D438 A453 I454 A459 V460 I461 R477 L478	Y431-Y457 HydrophobicContact CD2-CD1 4.06Å; Y431-Y457 AromaticContact CD2-CE1 3.92Å; Y431-Y457 HydrophobicContact CD2-CE1 3.92Å; Y431-Y457 HydrophobicContact CE2-CD1 4.1Å; Y431-Y457 AromaticContact CE2-CE1 3.65Å; Y431-Y457 HydrophobicContact CE2-CE1 3.65Å; A434-Y457 HydrophobicContact CB-CD1 3.41Å; A434-Y457 VanDerWaalsContact CB-CD1 3.41Å; A434-Y457 HydrophobicContact CB-CD2 4.01Å; A434-Y457 HydrophobicContact CB-CE1 3.47Å; A434-Y457 VanDerWaalsContact CB-CE1 3.47Å; A434-Y457 HydrophobicContact CB-CE2 4.08Å; A434-Y457 HydrophobicContact CB-CG 3.68Å; V435-Y457 HydrophobicContact CG2-CE1 4.22Å; D438-Y457 HydrophobicContact CB-CE2 4.17Å; D438-Y457 WeakPolarHBondContact OD2-CE2 3.25Å; D438-Y457 PolarHBondContact OD2-OH 3.46Å; A453-Y457 HydrophobicContact CB-CE2 4.44Å; A453-Y457 WeakPolarHBondContact O-CD2 3.47Å; A453-Y457 PolarHBondContact O-N 3.44Å; I454-Y457 PolarHBondContact O-N 3.22Å; Y457-A459 PolarHBondContact O-N 3Å; Y457-V460 WeakPolarHBondContact O-CB 3.3Å; Y457-V460 PolarHBondContact O-N 2.63Å; Y457-I461 PolarHBondContact O-N 3.28Å; Y457-R477 HydrophobicContact CE1-CB 4.37Å; Y457-R477 HydrophobicContact CE1-CG 4.32Å; Y457-R477 HydrophobicContact CE2-CG 3.89Å; Y457-R477 WeakPolarHBondContact OH-CG 3.4Å; Y457-L478 HydrophobicContact CG-CB 4.49Å
458	E	96.4	Very high	94.4	Very high	30 Å²	30	46.1 Å²	46.1	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-36.8	172.9	-177.1	166.8	-163.7	0	0	110.8	I454 V460 I461 N462 L478 K490 K493	I454-E458 WeakPolarHBondContact O-CB 3.38Å; I454-E458 PolarHBondContact O-N 3.38Å; E458-V460 VanDerWaalsContact C-N 3.28Å; E458-V460 PolarHBondContact O-N 3.22Å; E458-I461 WeakPolarHBondContact O-CG1 3.35Å; E458-I461 PolarHBondContact O-N 3.05Å; E458-N462 WeakPolarHBondContact CG-ND2 3.33Å; E458-N462 PolarHBondContact O-N 3.09Å; E458-N462 PolarHBondContact O-ND2 3.3Å; E458-L478 HydrophobicContact CB-CD2 4.4Å; E458-K490 IonicContact OE2-NZ 3.98Å; E458-K490 PolarHBondContact OE2-NZ 3.17Å; E458-K493 IonicContact OE1-NZ 3.07Å; E458-K493 PolarHBondContact OE1-NZ 3.18Å
459	A	95.9	Very high	94.1	Very high	41 Å²	41	45 Å²	45	34%	0.339	23%	0.231	S	C	.	.	H	α-helix	trans	-69	-19.8	173.6	0	0	0	0	0	114.2	R430 Y455 A456 Y457	R430-A459 VanDerWaalsContact CD-O 3.28Å; R430-A459 WeakPolarHBondContact CD-O 3.19Å; Y455-A459 WeakPolarHBondContact O-CB 3.36Å; Y455-A459 PolarHBondContact O-N 2.9Å; A456-A459 WeakPolarHBondContact O-CB 3.46Å; A456-A459 PolarHBondContact O-N 3.43Å; Y457-A459 PolarHBondContact O-N 3Å
460	V	95.7	Very high	93.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-73.6	-53.7	170	179.4	0	0	0	0	110.4	R430 A456 Y457 E458 N462 L463 V466 A474	R430-V460 HydrophobicContact CB-CG2 3.6Å; A456-V460 PolarHBondContact O-N 3.24Å; Y457-V460 WeakPolarHBondContact O-CB 3.3Å; Y457-V460 PolarHBondContact O-N 2.63Å; E458-V460 VanDerWaalsContact C-N 3.28Å; E458-V460 PolarHBondContact O-N 3.22Å; V460-N462 PolarHBondContact O-N 3.43Å; V460-N462 VanDerWaalsContact O-N 3.11Å; V460-L463 WeakPolarHBondContact O-CB 3.48Å; V460-L463 PolarHBondContact O-N 2.89Å; V460-V466 HydrophobicContact CG1-CG1 4.29Å; V460-V466 WeakPolarHBondContact O-CG2 3.33Å; V460-A474 HydrophobicContact CB-CB 4.22Å; V460-A474 HydrophobicContact CG1-CB 3.87Å
461	I	94	Very high	93.8	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-18.8	-170.4	69.1	164.3	0	0	0	113.9	Y457 E458 L471 A474 V475 L478 A494	Y457-I461 PolarHBondContact O-N 3.28Å; E458-I461 WeakPolarHBondContact O-CG1 3.35Å; E458-I461 PolarHBondContact O-N 3.05Å; I461-L471 HydrophobicContact CB-CD1 4.01Å; I461-L471 HydrophobicContact CG2-CD1 3.98Å; I461-A474 HydrophobicContact CG2-CB 4.08Å; I461-V475 HydrophobicContact CG2-CG2 3.68Å; I461-L478 HydrophobicContact CD1-CD2 3.71Å; I461-L478 HydrophobicContact CG1-CD2 4.31Å; I461-L478 HydrophobicContact CG2-CD2 4.36Å; I461-A494 HydrophobicContact CD1-CB 3.72Å
462	N	92.3	Very high	93.6	Very high	99 Å²	99	44.3 Å²	44.3	53%	0.529	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-1.2	177.6	-70.9	-66.4	0	0	0	113.7	E458 V460	E458-N462 WeakPolarHBondContact CG-ND2 3.33Å; E458-N462 PolarHBondContact O-N 3.09Å; E458-N462 PolarHBondContact O-ND2 3.3Å; V460-N462 PolarHBondContact O-N 3.43Å; V460-N462 VanDerWaalsContact O-N 3.11Å
463	L	92.6	Very high	93.2	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.115	21%	0.208	C	C	.	.	S	Bend	trans	-75.3	151	176.4	-77.3	172.3	0	0	0	112.7	P427 V460 V466	P427-L463 HydrophobicContact CB-CD1 4.14Å; P427-L463 HydrophobicContact CG-CD1 4.02Å; V460-L463 WeakPolarHBondContact O-CB 3.48Å; V460-L463 PolarHBondContact O-N 2.89Å; L463-V466 HydrophobicContact CB-CG2 3.65Å
464	P	85.2	Confident	93.1	Very high	88 Å²	88	39.2 Å²	39.2	57%	0.571	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	152.1	160.5	31.9	-34.4	0	0	0	110.6	V466	P464-V466 VanDerWaalsContact C-N 3.31Å; P464-V466 PolarHBondContact O-N 3.18Å
465	N	85.5	Confident	93	Very high	140 Å²	140	39.4 Å²	39.4	75%	0.749	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.5	168.3	-54.8	-11	0	0	0	115.4	N387	N387-N465 PolarHBondContact ND2-O 3.42Å
466	V	92.7	Very high	92.7	Very high	12 Å²	12	37.7 Å²	37.7	7%	0.073	21%	0.206	C	C	.	.			trans	-73.3	125.7	165.7	-172.7	0	0	0	0	109.3	P427 V460 L463 P464 L470 L471	P427-V466 HydrophobicContact CB-CG1 4.31Å; P427-V466 HydrophobicContact CB-CG2 4.26Å; P427-V466 HydrophobicContact CG-CG2 4.27Å; V460-V466 HydrophobicContact CG1-CG1 4.29Å; V460-V466 WeakPolarHBondContact O-CG2 3.33Å; L463-V466 HydrophobicContact CB-CG2 3.65Å; P464-V466 VanDerWaalsContact C-N 3.31Å; P464-V466 PolarHBondContact O-N 3.18Å; V466-L470 HydrophobicContact CG1-CB 4.23Å; V466-L470 HydrophobicContact CG1-CD2 4.27Å; V466-L470 HydrophobicContact CG1-CG 4.24Å; V466-L471 HydrophobicContact CG1-CB 3.96Å; V466-L471 HydrophobicContact CG1-CD1 4.44Å
467	P	92.7	Very high	92.5	Very high	24 Å²	24	37.6 Å²	37.6	16%	0.156	20%	0.203	C	C	.	.			trans	-58.1	145.7	172.5	-24.5	35	0	0	0	112.4	S384 N387 E469 L470 L471	S384-P467 WeakPolarHBondContact O-CB 3.16Å; N387-P467 HydrophobicContact CB-CG 4.01Å; P467-E469 PolarHBondContact O-N 2.55Å; P467-L470 HydrophobicContact CB-CB 4.31Å; P467-L470 PolarHBondContact O-N 3.41Å; P467-L470 VanDerWaalsContact O-N 3.17Å; P467-L471 PolarHBondContact O-N 3.31Å
468	D	90.4	Very high	92.4	Very high	70 Å²	70	37.7 Å²	37.7	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-38.6	-170.5	-72.1	-14.6	0	0	0	113.7	L471 K472 K501	D468-L471 PolarHBondContact O-N 2.9Å; D468-K472 VanDerWaalsContact O-CG 3.3Å; D468-K472 WeakPolarHBondContact O-CG 3.33Å; D468-K472 PolarHBondContact O-N 3.06Å; D468-K501 WeakPolarHBondContact OD1-CD 3.42Å; D468-K501 IonicContact OD1-NZ 3.17Å; D468-K501 PolarHBondContact OD1-NZ 2.88Å
469	E	89.3	Confident	92.3	Very high	70 Å²	70	36.3 Å²	36.3	33%	0.327	20%	0.197	S	C	.	.	H	α-helix	trans	-67.4	-39.4	175.1	-65.1	-50.9	123.2	0	0	112.2	P467 L471 K472 M473	P467-E469 PolarHBondContact O-N 2.55Å; E469-L471 VanDerWaalsContact C-N 3.31Å; E469-L471 PolarHBondContact O-N 3.18Å; E469-K472 PolarHBondContact O-N 2.94Å; E469-K472 IonicContact OE1-NZ 2.79Å; E469-K472 PolarHBondContact OE1-NZ 2.97Å; E469-M473 WeakPolarHBondContact O-CB 3.01Å; E469-M473 VanDerWaalsContact O-CG 3.29Å; E469-M473 WeakPolarHBondContact O-CG 3.13Å; E469-M473 PolarHBondContact O-N 3.27Å
470	L	91.8	Very high	92.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-36.9	174.2	-173.8	61.4	0	0	0	111.5	V385 P427 R428 Y431 V466 P467 A474	V385-L470 HydrophobicContact CB-CB 4.12Å; V385-L470 HydrophobicContact CB-CD1 4.26Å; V385-L470 HydrophobicContact CG1-CB 4.24Å; V385-L470 HydrophobicContact CG1-CD1 4.44Å; P427-L470 HydrophobicContact CB-CD2 3.64Å; R428-L470 HydrophobicContact CB-CD2 4.49Å; Y431-L470 HydrophobicContact CD1-CD1 3.63Å; Y431-L470 HydrophobicContact CD2-CD1 3.93Å; Y431-L470 HydrophobicContact CE1-CD1 4.2Å; Y431-L470 HydrophobicContact CE2-CD1 4.48Å; Y431-L470 HydrophobicContact CG-CD1 3.48Å; Y431-L470 VanDerWaalsContact CG-CD1 3.48Å; V466-L470 HydrophobicContact CG1-CB 4.23Å; V466-L470 HydrophobicContact CG1-CD2 4.27Å; V466-L470 HydrophobicContact CG1-CG 4.24Å; P467-L470 HydrophobicContact CB-CB 4.31Å; P467-L470 PolarHBondContact O-N 3.41Å; P467-L470 VanDerWaalsContact O-N 3.17Å; L470-A474 VanDerWaalsContact O-CB 3.26Å; L470-A474 WeakPolarHBondContact O-CB 3.43Å; L470-A474 PolarHBondContact O-N 3.36Å
471	L	93.2	Very high	92	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-43.7	174.8	-175.3	66.8	0	0	0	111.4	I461 V466 P467 D468 E469 A474 V475 L498 K501	I461-L471 HydrophobicContact CB-CD1 4.01Å; I461-L471 HydrophobicContact CG2-CD1 3.98Å; V466-L471 HydrophobicContact CG1-CB 3.96Å; V466-L471 HydrophobicContact CG1-CD1 4.44Å; P467-L471 PolarHBondContact O-N 3.31Å; D468-L471 PolarHBondContact O-N 2.9Å; E469-L471 VanDerWaalsContact C-N 3.31Å; E469-L471 PolarHBondContact O-N 3.18Å; L471-A474 PolarHBondContact O-N 3.25Å; L471-V475 HydrophobicContact CD1-CG2 4.12Å; L471-V475 HydrophobicContact CG-CG2 4.33Å; L471-V475 WeakPolarHBondContact O-CB 3.49Å; L471-V475 VanDerWaalsContact O-CG2 3.25Å; L471-V475 WeakPolarHBondContact O-CG2 3.28Å; L471-V475 PolarHBondContact O-N 3.01Å; L471-L498 HydrophobicContact CD2-CD1 4Å; L471-L498 HydrophobicContact CG-CD1 4.06Å; L471-K501 HydrophobicContact CD2-CD 3.82Å
472	K	91.7	Very high	92.1	Very high	65 Å²	65	37.1 Å²	37.1	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-59	-48.3	174.3	-71.1	167.5	-170.7	173.7	0	111.3	D468 E469 V475 H476 L498 H502	D468-K472 VanDerWaalsContact O-CG 3.3Å; D468-K472 WeakPolarHBondContact O-CG 3.33Å; D468-K472 PolarHBondContact O-N 3.06Å; E469-K472 PolarHBondContact O-N 2.94Å; E469-K472 IonicContact OE1-NZ 2.79Å; E469-K472 PolarHBondContact OE1-NZ 2.97Å; K472-V475 PolarHBondContact O-N 3.39Å; K472-H476 WeakPolarHBondContact O-CB 3.34Å; K472-H476 PolarHBondContact O-N 2.2Å; K472-L498 HydrophobicContact CG-CD1 3.9Å; K472-L498 HydrophobicContact CG-CD2 4.2Å; K472-H502 VanDerWaalsContact CE-NE2 3.33Å; K472-H502 WeakPolarHBondContact CE-NE2 3.5Å
473	M	91.1	Very high	92	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.054	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-46.5	177.7	-70.7	170.7	67.6	0	0	112.1	L381 V385 Y431 E469 R477	L381-M473 HydrophobicContact CD1-CE 4.06Å; L381-M473 HydrophobicContact CD1-SD 3.77Å; V385-M473 HydrophobicContact CG1-SD 4.01Å; Y431-M473 HydrophobicContact CE1-CE 4.05Å; Y431-M473 HydrophobicContact CE2-CB 4.21Å; E469-M473 WeakPolarHBondContact O-CB 3.01Å; E469-M473 VanDerWaalsContact O-CG 3.29Å; E469-M473 WeakPolarHBondContact O-CG 3.13Å; E469-M473 PolarHBondContact O-N 3.27Å; M473-R477 PolarHBondContact O-N 2.98Å
474	A	94	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-44.2	178.5	0	0	0	0	0	112.6	Y431 V460 I461 L470 L471 L478	Y431-A474 HydrophobicContact CD2-CB 3.96Å; Y431-A474 HydrophobicContact CE2-CB 4.16Å; V460-A474 HydrophobicContact CB-CB 4.22Å; V460-A474 HydrophobicContact CG1-CB 3.87Å; I461-A474 HydrophobicContact CG2-CB 4.08Å; L470-A474 VanDerWaalsContact O-CB 3.26Å; L470-A474 WeakPolarHBondContact O-CB 3.43Å; L470-A474 PolarHBondContact O-N 3.36Å; L471-A474 PolarHBondContact O-N 3.25Å; A474-L478 WeakPolarHBondContact O-CB 3.35Å; A474-L478 PolarHBondContact O-N 3.32Å
475	V	95.1	Very high	92	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	17%	0.165	C	C	.	.	H	α-helix	trans	-65.5	-46.4	178	169	0	0	0	0	111	I461 L471 K472 R477 L478 V479 A494 L498	I461-V475 HydrophobicContact CG2-CG2 3.68Å; L471-V475 HydrophobicContact CD1-CG2 4.12Å; L471-V475 HydrophobicContact CG-CG2 4.33Å; L471-V475 WeakPolarHBondContact O-CB 3.49Å; L471-V475 VanDerWaalsContact O-CG2 3.25Å; L471-V475 WeakPolarHBondContact O-CG2 3.28Å; L471-V475 PolarHBondContact O-N 3.01Å; K472-V475 PolarHBondContact O-N 3.39Å; V475-R477 PolarHBondContact O-N 2.75Å; V475-L478 PolarHBondContact O-N 3.37Å; V475-V479 HydrophobicContact CG1-CG2 4.14Å; V475-V479 WeakPolarHBondContact O-CB 3.25Å; V475-V479 WeakPolarHBondContact O-CG2 3.11Å; V475-V479 PolarHBondContact O-N 3.18Å; V475-A494 HydrophobicContact CG1-CB 4.1Å; V475-A494 HydrophobicContact CG2-CB 4.38Å; V475-L498 HydrophobicContact CB-CD2 4.12Å; V475-L498 HydrophobicContact CG1-CB 4.17Å; V475-L498 HydrophobicContact CG1-CD2 3.92Å; V475-L498 HydrophobicContact CG2-CB 4.33Å
476	H	92.5	Very high	92.1	Very high	94 Å²	94	29.7 Å²	29.7	44%	0.435	15%	0.145	S	C	.	.	H	α-helix	trans	-58.9	-50.5	-179.3	-175.2	-66.1	0	0	0	111.8	L371 K472 V479 E480	L371-H476 HydrophobicContact CD1-CB 4.26Å; L371-H476 VanDerWaalsContact CD2-ND1 3.28Å; L371-H476 WeakPolarHBondContact CD2-ND1 3.46Å; K472-H476 WeakPolarHBondContact O-CB 3.34Å; K472-H476 PolarHBondContact O-N 2.2Å; H476-V479 PolarHBondContact O-N 2.3Å; H476-E480 WeakPolarHBondContact O-CB 3.06Å; H476-E480 PolarHBondContact O-N 2.77Å
477	R	92.9	Very high	92.1	Very high	9 Å²	9	32 Å²	32	3%	0.034	15%	0.153	C	C	.	.	H	α-helix	trans	-69.2	-37	-179.6	-168.9	55.4	171.9	-151.3	-9.6	112.2	L371 D438 D442 Y457 M473 V475 V479 E480 R481	L371-R477 HydrophobicContact CD2-CB 4.2Å; D438-R477 IonicContact OD1-CZ 2.7Å; D438-R477 IonicContact OD1-NE 3.59Å; D438-R477 PolarHBondContact OD1-NE 3.06Å; D438-R477 IonicContact OD1-NH2 3.65Å; D438-R477 PolarHBondContact OD1-NH2 2.99Å; D438-R477 WeakPolarHBondContact OD2-CG 3.43Å; D438-R477 IonicContact OD2-CZ 3.88Å; D438-R477 IonicContact OD2-NE 2.65Å; D438-R477 PolarHBondContact OD2-NE 3.46Å; D438-R477 IonicContact OD2-NH2 2.65Å; D442-R477 IonicContact OD2-NH2 2.3Å; Y457-R477 HydrophobicContact CE1-CB 4.37Å; Y457-R477 HydrophobicContact CE1-CG 4.32Å; Y457-R477 HydrophobicContact CE2-CG 3.89Å; Y457-R477 WeakPolarHBondContact OH-CG 3.4Å; M473-R477 PolarHBondContact O-N 2.98Å; V475-R477 PolarHBondContact O-N 2.75Å; R477-V479 VanDerWaalsContact C-N 3.34Å; R477-V479 PolarHBondContact O-N 3.45Å; R477-E480 WeakPolarHBondContact CD-OE2 3.44Å; R477-E480 IonicContact CZ-OE1 3.66Å; R477-E480 IonicContact CZ-OE2 3.57Å; R477-E480 IonicContact NE-OE1 2.6Å; R477-E480 IonicContact NE-OE2 3.64Å; R477-E480 IonicContact NH1-OE1 2.74Å; R477-E480 PolarHBondContact NH1-OE1 3.14Å; R477-E480 IonicContact NH1-OE2 2.69Å; R477-E480 PolarHBondContact NH1-OE2 3.1Å; R477-E480 PolarHBondContact O-N 3.41Å; R477-R481 HydrophobicContact CG-CG 4.25Å; R477-R481 WeakPolarHBondContact O-CB 3.06Å; R477-R481 WeakPolarHBondContact O-CG 3.45Å; R477-R481 PolarHBondContact O-N 2.7Å
478	L	95.8	Very high	92	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-42.9	171.7	176.5	58.6	0	0	0	112.2	I454 Y457 E458 I461 A474 V475 C482 A494	I454-L478 HydrophobicContact CB-CD1 4.41Å; I454-L478 HydrophobicContact CG2-CD1 3.82Å; I454-L478 WeakPolarHBondContact O-CD1 3.3Å; Y457-L478 HydrophobicContact CG-CB 4.49Å; E458-L478 HydrophobicContact CB-CD2 4.4Å; I461-L478 HydrophobicContact CD1-CD2 3.71Å; I461-L478 HydrophobicContact CG1-CD2 4.31Å; I461-L478 HydrophobicContact CG2-CD2 4.36Å; A474-L478 WeakPolarHBondContact O-CB 3.35Å; A474-L478 PolarHBondContact O-N 3.32Å; V475-L478 PolarHBondContact O-N 3.37Å; L478-C482 VanDerWaalsContact CD1-SG 3.51Å; L478-C482 WeakPolarHBondContact O-CB 3.29Å; L478-C482 PolarHBondContact O-N 2.88Å; L478-C482 PolarHBondContact O-SG 3.22Å; L478-A494 HydrophobicContact CD2-CB 3.68Å; L478-A494 HydrophobicContact CG-CB 4.26Å
479	V	94.9	Very high	91.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-65.5	-47.9	178.1	166.2	0	0	0	0	111.2	V475 H476 R477 R481 C482 R483 A491 A494 Q495	V475-V479 HydrophobicContact CG1-CG2 4.14Å; V475-V479 WeakPolarHBondContact O-CB 3.25Å; V475-V479 WeakPolarHBondContact O-CG2 3.11Å; V475-V479 PolarHBondContact O-N 3.18Å; H476-V479 PolarHBondContact O-N 2.3Å; R477-V479 VanDerWaalsContact C-N 3.34Å; R477-V479 PolarHBondContact O-N 3.45Å; V479-R481 PolarHBondContact O-N 3Å; V479-C482 PolarHBondContact O-N 2.98Å; V479-R483 WeakPolarHBondContact O-CB 3.47Å; V479-R483 VanDerWaalsContact O-CG 3.27Å; V479-R483 WeakPolarHBondContact O-CG 3.48Å; V479-R483 PolarHBondContact O-N 2.96Å; V479-A491 HydrophobicContact CB-CB 4.4Å; V479-A491 HydrophobicContact CG1-CB 4.28Å; V479-A491 HydrophobicContact CG2-CB 4.18Å; V479-A494 HydrophobicContact CG2-CB 4.3Å; V479-Q495 HydrophobicContact CG1-CG 4.46Å; V479-Q495 HydrophobicContact CG2-CG 3.51Å
480	E	91.5	Very high	92	Very high	45 Å²	45	30.4 Å²	30.4	21%	0.21	14%	0.143	C	C	.	.	H	α-helix	trans	-53.6	-52.1	175.5	-170	-149.8	126.2	0	0	111.1	H476 R477 R483 F484	H476-E480 WeakPolarHBondContact O-CB 3.06Å; H476-E480 PolarHBondContact O-N 2.77Å; R477-E480 WeakPolarHBondContact CD-OE2 3.44Å; R477-E480 IonicContact CZ-OE1 3.66Å; R477-E480 IonicContact CZ-OE2 3.57Å; R477-E480 IonicContact NE-OE1 2.6Å; R477-E480 IonicContact NE-OE2 3.64Å; R477-E480 IonicContact NH1-OE1 2.74Å; R477-E480 PolarHBondContact NH1-OE1 3.14Å; R477-E480 IonicContact NH1-OE2 2.69Å; R477-E480 PolarHBondContact NH1-OE2 3.1Å; R477-E480 PolarHBondContact O-N 3.41Å; E480-R483 PolarHBondContact O-N 3.04Å; E480-F484 PolarHBondContact O-N 3.22Å
481	R	92.9	Very high	92.1	Very high	19 Å²	19	30.4 Å²	30.4	7%	0.072	14%	0.143	C	C	.	.	H	α-helix	trans	-73.2	-34.4	-176.2	-62.8	-72.2	136.7	156.4	-18.3	112.6	D438 D442 L450 I454 R477 V479 F484 R485	D438-R481 IonicContact OD1-CZ 3.3Å; D438-R481 IonicContact OD1-NE 3.57Å; D438-R481 IonicContact OD1-NH1 2.57Å; D438-R481 PolarHBondContact OD1-NH1 3.24Å; D442-R481 IonicContact OD1-CZ 2.78Å; D442-R481 IonicContact OD1-NH1 2.99Å; D442-R481 PolarHBondContact OD1-NH1 3.11Å; D442-R481 IonicContact OD2-CZ 3.29Å; D442-R481 IonicContact OD2-NH1 3.69Å; D442-R481 PolarHBondContact OD2-NH1 2.97Å; D442-R481 IonicContact OD2-NH2 2.82Å; L450-R481 HydrophobicContact CD1-CB 4.02Å; L450-R481 VanDerWaalsContact CD1-CD 3.48Å; L450-R481 HydrophobicContact CD1-CG 4.12Å; I454-R481 HydrophobicContact CD1-CB 4.16Å; I454-R481 HydrophobicContact CG1-CB 3.87Å; R477-R481 HydrophobicContact CG-CG 4.25Å; R477-R481 WeakPolarHBondContact O-CB 3.06Å; R477-R481 WeakPolarHBondContact O-CG 3.45Å; R477-R481 PolarHBondContact O-N 2.7Å; V479-R481 PolarHBondContact O-N 3Å; R481-F484 PolarHBondContact O-N 3.14Å; R481-R485 PolarHBondContact O-N 3.06Å; R481-R485 VanDerWaalsContact O-N 3.12Å
482	C	95.1	Very high	92.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66	-42.6	170.7	-74	0	0	0	0	112.2	L478 V479 F484 R485 G486 W487 K490 A491	L478-C482 VanDerWaalsContact CD1-SG 3.51Å; L478-C482 WeakPolarHBondContact O-CB 3.29Å; L478-C482 PolarHBondContact O-N 2.88Å; L478-C482 PolarHBondContact O-SG 3.22Å; V479-C482 PolarHBondContact O-N 2.98Å; C482-F484 VanDerWaalsContact C-N 3.33Å; C482-F484 PolarHBondContact O-N 2.68Å; C482-R485 CarbonylContact O-C 3.58Å; C482-R485 PolarHBondContact O-N 3.01Å; C482-G486 PolarHBondContact O-N 2.86Å; C482-W487 HydrophobicContact CB-CB 4.24Å; C482-W487 PolarHBondContact O-N 2.78Å; C482-K490 HydrophobicContact CB-CB 4.46Å; C482-K490 VanDerWaalsContact SG-CB 3.57Å; C482-A491 HydrophobicContact CB-CB 3.88Å
483	R	90.3	Very high	92.1	Very high	38 Å²	38	30.6 Å²	30.6	14%	0.143	14%	0.144	C	C	.	.	H	α-helix	trans	-60.1	-43.6	174.4	-76.1	168.6	173.7	165.4	-6.2	111.4	V479 E480 R485 G486 F488 D511 T515 M518	V479-R483 WeakPolarHBondContact O-CB 3.47Å; V479-R483 VanDerWaalsContact O-CG 3.27Å; V479-R483 WeakPolarHBondContact O-CG 3.48Å; V479-R483 PolarHBondContact O-N 2.96Å; E480-R483 PolarHBondContact O-N 3.04Å; R483-R485 VanDerWaalsContact C-N 3.31Å; R483-R485 PolarHBondContact O-N 2.73Å; R483-G486 PolarHBondContact O-N 2.93Å; R483-F488 HydrophobicContact CB-CE1 4.29Å; R483-F488 HydrophobicContact CG-CD1 4.21Å; R483-F488 HydrophobicContact CG-CE1 4.17Å; R483-D511 IonicContact CZ-OD1 2.99Å; R483-D511 IonicContact NH1-OD1 3.46Å; R483-D511 PolarHBondContact NH1-OD1 2.67Å; R483-D511 IonicContact NH1-OD2 3.87Å; R483-D511 PolarHBondContact NH2-O 2.99Å; R483-D511 IonicContact NH2-OD1 3.61Å; R483-D511 PolarHBondContact NH2-OD1 3.31Å; R483-D511 IonicContact NH2-OD2 3.76Å; R483-T515 PolarHBondContact NE-OG1 3.26Å; R483-T515 PolarHBondContact NH2-OG1 3.4Å; R483-M518 HydrophobicContact CB-CE 4.21Å; R483-M518 HydrophobicContact CB-SD 4.42Å; R483-M518 HydrophobicContact CG-CE 4.36Å; R483-M518 HydrophobicContact CG-SD 3.94Å
484	F	87.7	Confident	92.3	Very high	51 Å²	51	30.1 Å²	30.1	22%	0.224	14%	0.141	C	C	.	.	H	α-helix	trans	-56.9	-41.9	174.7	179.8	-83.1	0	0	0	112.5	Q79 L450 E480 R481 C482 G486	Q79-F484 HydrophobicContact CB-CE2 4.05Å; Q79-F484 VanDerWaalsContact CD-CE2 3.42Å; Q79-F484 HydrophobicContact CG-CD2 3.75Å; Q79-F484 HydrophobicContact CG-CE2 3.56Å; L450-F484 HydrophobicContact CD2-CD1 3.55Å; L450-F484 HydrophobicContact CD2-CE1 3.72Å; E480-F484 PolarHBondContact O-N 3.22Å; R481-F484 PolarHBondContact O-N 3.14Å; C482-F484 VanDerWaalsContact C-N 3.33Å; C482-F484 PolarHBondContact O-N 2.68Å; F484-G486 VanDerWaalsContact C-N 3.31Å; F484-G486 PolarHBondContact O-N 3.49Å
485	R	91	Very high	92.3	Very high	71 Å²	71	30.4 Å²	30.4	27%	0.268	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-4.6	174.6	-68.1	-63.3	-60	107.7	0	114.6	L450 E451 I454 R481 C482 R483 W487	L450-R485 HydrophobicContact CD2-CG 4.07Å; L450-R485 HydrophobicContact CG-CG 4.31Å; E451-R485 IonicContact OE1-CZ 3.53Å; E451-R485 IonicContact OE1-NE 3.62Å; E451-R485 PolarHBondContact OE1-NE 3.3Å; E451-R485 IonicContact OE1-NH2 2.85Å; E451-R485 PolarHBondContact OE1-NH2 2.83Å; I454-R485 HydrophobicContact CD1-CB 4.32Å; I454-R485 HydrophobicContact CD1-CG 3.66Å; R481-R485 PolarHBondContact O-N 3.06Å; R481-R485 VanDerWaalsContact O-N 3.12Å; C482-R485 CarbonylContact O-C 3.58Å; C482-R485 PolarHBondContact O-N 3.01Å; R483-R485 VanDerWaalsContact C-N 3.31Å; R483-R485 PolarHBondContact O-N 2.73Å; R485-W487 VanDerWaalsContact C-N 3.26Å; R485-W487 HydrophobicContact CB-CB 4.47Å; R485-W487 HydrophobicContact CB-CD2 4.09Å; R485-W487 HydrophobicContact CB-CG 3.91Å; R485-W487 VanDerWaalsContact O-CD1 3.26Å; R485-W487 PolarHBondContact O-N 3.15Å
486	G	87	Confident	92.2	Very high	33 Å²	33	30.6 Å²	30.6	34%	0.34	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	13.6	-172.2	0	0	0	0	0	114.6	C482 R483 F484 F488	C482-G486 PolarHBondContact O-N 2.86Å; R483-G486 PolarHBondContact O-N 2.93Å; F484-G486 VanDerWaalsContact C-N 3.31Å; F484-G486 PolarHBondContact O-N 3.49Å; G486-F488 VanDerWaalsContact C-N 3.26Å; G486-F488 WeakPolarHBondContact O-CD2 3.36Å; G486-F488 PolarHBondContact O-N 2.93Å
487	W	92.7	Very high	92.1	Very high	61 Å²	61	31.4 Å²	31.4	23%	0.231	14%	0.143	C	C	.	.			trans	-86.4	55.8	-174.9	-70.1	6.6	0	0	0	112.1	E451 I454 Y455 C482 R485 D489 K490 A491	E451-W487 HydrophobicContact CB-CH2 3.83Å; E451-W487 HydrophobicContact CB-CZ3 4.33Å; E451-W487 HydrophobicContact CG-CH2 3.36Å; E451-W487 HydrophobicContact CG-CZ2 3.71Å; E451-W487 HydrophobicContact CG-CZ3 4.01Å; E451-W487 VanDerWaalsContact OE2-CH2 3.25Å; E451-W487 WeakPolarHBondContact OE2-CH2 3.35Å; E451-W487 VanDerWaalsContact OE2-CZ2 3.3Å; E451-W487 WeakPolarHBondContact OE2-CZ2 3.44Å; I454-W487 HydrophobicContact CB-CZ3 4.46Å; I454-W487 HydrophobicContact CD1-CE3 4.25Å; I454-W487 HydrophobicContact CD1-CZ3 4.46Å; I454-W487 HydrophobicContact CG2-CE3 3.85Å; I454-W487 HydrophobicContact CG2-CZ3 3.85Å; Y455-W487 HydrophobicContact CE2-CH2 4.06Å; Y455-W487 HydrophobicContact CE2-CZ3 4.14Å; C482-W487 HydrophobicContact CB-CB 4.24Å; C482-W487 PolarHBondContact O-N 2.78Å; R485-W487 VanDerWaalsContact C-N 3.26Å; R485-W487 HydrophobicContact CB-CB 4.47Å; R485-W487 HydrophobicContact CB-CD2 4.09Å; R485-W487 HydrophobicContact CB-CG 3.91Å; R485-W487 VanDerWaalsContact O-CD1 3.26Å; R485-W487 PolarHBondContact O-N 3.15Å; W487-D489 VanDerWaalsContact C-N 3.3Å; W487-D489 PolarHBondContact O-N 2.91Å; W487-K490 HydrophobicContact CB-CD 4.27Å; W487-K490 HydrophobicContact CD2-CD 4.24Å; W487-K490 HydrophobicContact CE3-CD 3.47Å; W487-K490 VanDerWaalsContact CE3-CD 3.47Å; W487-K490 HydrophobicContact CZ3-CD 4.09Å; W487-K490 PolarHBondContact O-N 3.34Å; W487-K490 VanDerWaalsContact O-N 3.11Å; W487-A491 PolarHBondContact O-N 2.93Å
488	F	90.6	Very high	92	Very high	18 Å²	18	31.2 Å²	31.2	8%	0.079	14%	0.142	C	C	.	.	H	α-helix	trans	-62.1	-29.7	-167.3	-55.5	-60.4	0	0	0	114.8	R483 G486 K490 A491 I492 T515 M518 M519	R483-F488 HydrophobicContact CB-CE1 4.29Å; R483-F488 HydrophobicContact CG-CD1 4.21Å; R483-F488 HydrophobicContact CG-CE1 4.17Å; G486-F488 VanDerWaalsContact C-N 3.26Å; G486-F488 WeakPolarHBondContact O-CD2 3.36Å; G486-F488 PolarHBondContact O-N 2.93Å; F488-K490 VanDerWaalsContact C-N 3.35Å; F488-K490 PolarHBondContact O-N 3.49Å; F488-A491 WeakPolarHBondContact O-CB 3.43Å; F488-A491 PolarHBondContact O-N 3.04Å; F488-I492 WeakPolarHBondContact O-CB 3.37Å; F488-I492 PolarHBondContact O-N 3.42Å; F488-T515 HydrophobicContact CB-CG2 4.31Å; F488-T515 HydrophobicContact CD1-CG2 4.35Å; F488-M518 HydrophobicContact CD1-CB 4.24Å; F488-M518 HydrophobicContact CE1-CB 3.75Å; F488-M518 HydrophobicContact CE1-CE 3.84Å; F488-M518 HydrophobicContact CE1-SD 4.23Å; F488-M518 WeakPolarHBondContact CE2-O 3.25Å; F488-M518 HydrophobicContact CZ-CB 3.97Å; F488-M518 HydrophobicContact CZ-CE 4.23Å; F488-M519 HydrophobicContact CB-CE 4.06Å; F488-M519 HydrophobicContact CB-CG 3.35Å; F488-M519 HydrophobicContact CB-SD 3.52Å; F488-M519 VanDerWaalsContact CB-SD 3.52Å; F488-M519 HydrophobicContact CD2-CG 3.81Å; F488-M519 HydrophobicContact CG-CG 3.69Å; F488-M519 HydrophobicContact CG-SD 4.49Å
489	D	89.3	Confident	91.8	Very high	75 Å²	75	31.6 Å²	31.6	40%	0.401	14%	0.144	S	C	.	.	H	α-helix	trans	-59.1	-41.8	174	-89.4	-56.2	0	0	0	113.3	Y317 W487 I492 K493	Y317-D489 PolarHBondContact OH-O 2.88Å; Y317-D489 PolarHBondContact OH-OD1 2.91Å; W487-D489 VanDerWaalsContact C-N 3.3Å; W487-D489 PolarHBondContact O-N 2.91Å; D489-I492 PolarHBondContact O-N 3.22Å; D489-K493 VanDerWaalsContact O-CB 3.26Å; D489-K493 WeakPolarHBondContact O-CB 3.29Å; D489-K493 PolarHBondContact O-N 2.77Å
490	K	91.7	Very high	91.5	Very high	37 Å²	37	37.1 Å²	37.1	16%	0.161	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-40.7	176.1	-78.8	165.4	168.4	-87.9	0	111	I454 E458 C482 W487 F488 K493 A494	I454-K490 HydrophobicContact CG2-CD 4.24Å; E458-K490 IonicContact OE2-NZ 3.98Å; E458-K490 PolarHBondContact OE2-NZ 3.17Å; C482-K490 HydrophobicContact CB-CB 4.46Å; C482-K490 VanDerWaalsContact SG-CB 3.57Å; W487-K490 HydrophobicContact CB-CD 4.27Å; W487-K490 HydrophobicContact CD2-CD 4.24Å; W487-K490 HydrophobicContact CE3-CD 3.47Å; W487-K490 VanDerWaalsContact CE3-CD 3.47Å; W487-K490 HydrophobicContact CZ3-CD 4.09Å; W487-K490 PolarHBondContact O-N 3.34Å; W487-K490 VanDerWaalsContact O-N 3.11Å; F488-K490 VanDerWaalsContact C-N 3.35Å; F488-K490 PolarHBondContact O-N 3.49Å; K490-K493 PolarHBondContact O-N 3.39Å; K490-A494 WeakPolarHBondContact O-CB 3.32Å; K490-A494 PolarHBondContact O-N 3.37Å
491	A	94.1	Very high	91.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-49.7	174.8	0	0	0	0	0	111.4	V479 C482 W487 F488 K493 A494 Q495 T515	V479-A491 HydrophobicContact CB-CB 4.4Å; V479-A491 HydrophobicContact CG1-CB 4.28Å; V479-A491 HydrophobicContact CG2-CB 4.18Å; C482-A491 HydrophobicContact CB-CB 3.88Å; W487-A491 PolarHBondContact O-N 2.93Å; F488-A491 WeakPolarHBondContact O-CB 3.43Å; F488-A491 PolarHBondContact O-N 3.04Å; A491-K493 PolarHBondContact O-N 3.19Å; A491-A494 WeakPolarHBondContact O-CB 3.43Å; A491-A494 PolarHBondContact O-N 3.49Å; A491-Q495 WeakPolarHBondContact O-CG 3.47Å; A491-Q495 PolarHBondContact O-N 2.96Å; A491-T515 HydrophobicContact CB-CG2 4Å
492	I	92.6	Very high	91.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-45.3	177.3	-83.1	-166	0	0	0	111.9	Y317 V335 F488 D489 A494 Q495 V496 F512 T515 L516 M519	Y317-I492 HydrophobicContact CD2-CG2 3.76Å; Y317-I492 HydrophobicContact CE2-CG2 3.54Å; V335-I492 HydrophobicContact CG2-CD1 4.02Å; V335-I492 HydrophobicContact CG2-CG2 3.32Å; F488-I492 WeakPolarHBondContact O-CB 3.37Å; F488-I492 PolarHBondContact O-N 3.42Å; D489-I492 PolarHBondContact O-N 3.22Å; I492-A494 VanDerWaalsContact C-N 3.26Å; I492-A494 PolarHBondContact O-N 3.29Å; I492-Q495 PolarHBondContact O-N 2.94Å; I492-V496 HydrophobicContact CG2-CG2 4.43Å; I492-V496 WeakPolarHBondContact O-CB 3.34Å; I492-V496 VanDerWaalsContact O-CG2 3.32Å; I492-V496 WeakPolarHBondContact O-CG2 3.41Å; I492-V496 PolarHBondContact O-N 3.29Å; I492-F512 HydrophobicContact CB-CE2 4.4Å; I492-F512 HydrophobicContact CD1-CE2 4.35Å; I492-F512 HydrophobicContact CG1-CE2 4.05Å; I492-F512 HydrophobicContact CG2-CE2 4.14Å; I492-T515 HydrophobicContact CD1-CG2 4.36Å; I492-T515 HydrophobicContact CG1-CG2 3.67Å; I492-L516 HydrophobicContact CD1-CD2 3.63Å; I492-L516 HydrophobicContact CD1-CG 4.14Å; I492-M519 HydrophobicContact CD1-SD 3.39Å; I492-M519 WeakPolarHBondContact CD1-SD 3.21Å; I492-M519 HydrophobicContact CG1-SD 4.21Å
493	K	91.9	Very high	91	Very high	73 Å²	73	43.1 Å²	43.1	32%	0.317	20%	0.203	S	C	.	.	H	α-helix	trans	-57.3	-41.1	176.4	-178.8	-174.2	171.7	-169.6	0	111.4	Y317 E458 D489 K490 A491 R497	Y317-K493 HydrophobicContact CD1-CB 4.29Å; Y317-K493 HydrophobicContact CD1-CG 4.32Å; Y317-K493 HydrophobicContact CE1-CB 3.75Å; Y317-K493 HydrophobicContact CE1-CD 4.47Å; Y317-K493 HydrophobicContact CE1-CG 3.99Å; E458-K493 IonicContact OE1-NZ 3.07Å; E458-K493 PolarHBondContact OE1-NZ 3.18Å; D489-K493 VanDerWaalsContact O-CB 3.26Å; D489-K493 WeakPolarHBondContact O-CB 3.29Å; D489-K493 PolarHBondContact O-N 2.77Å; K490-K493 PolarHBondContact O-N 3.39Å; A491-K493 PolarHBondContact O-N 3.19Å; K493-R497 PolarHBondContact O-N 3.18Å
494	A	93.8	Very high	90.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.3	-44.2	176.6	0	0	0	0	0	112.8	I461 V475 L478 V479 K490 A491 I492 R497 L498	I461-A494 HydrophobicContact CD1-CB 3.72Å; V475-A494 HydrophobicContact CG1-CB 4.1Å; V475-A494 HydrophobicContact CG2-CB 4.38Å; L478-A494 HydrophobicContact CD2-CB 3.68Å; L478-A494 HydrophobicContact CG-CB 4.26Å; V479-A494 HydrophobicContact CG2-CB 4.3Å; K490-A494 WeakPolarHBondContact O-CB 3.32Å; K490-A494 PolarHBondContact O-N 3.37Å; A491-A494 WeakPolarHBondContact O-CB 3.43Å; A491-A494 PolarHBondContact O-N 3.49Å; I492-A494 VanDerWaalsContact C-N 3.26Å; I492-A494 PolarHBondContact O-N 3.29Å; A494-R497 PolarHBondContact O-N 3.24Å; A494-L498 PolarHBondContact O-N 2.99Å
495	Q	94.8	Very high	91.1	Very high	7 Å²	7	46.8 Å²	46.8	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-43.9	177.8	-71.4	172.3	-45.8	0	0	112	V479 A491 I492 R497 L498 L499 D511 F512 T515	V479-Q495 HydrophobicContact CG1-CG 4.46Å; V479-Q495 HydrophobicContact CG2-CG 3.51Å; A491-Q495 WeakPolarHBondContact O-CG 3.47Å; A491-Q495 PolarHBondContact O-N 2.96Å; I492-Q495 PolarHBondContact O-N 2.94Å; Q495-R497 VanDerWaalsContact C-N 3.29Å; Q495-R497 PolarHBondContact O-N 3.04Å; Q495-L498 PolarHBondContact O-N 2.91Å; Q495-L498 VanDerWaalsContact O-N 3.13Å; Q495-L499 WeakPolarHBondContact O-CB 3.44Å; Q495-L499 WeakPolarHBondContact O-CG 3.33Å; Q495-L499 PolarHBondContact O-N 2.67Å; Q495-D511 VanDerWaalsContact NE2-CG 3.35Å; Q495-D511 PolarHBondContact NE2-O 3.21Å; Q495-D511 PolarHBondContact NE2-OD2 3.43Å; Q495-F512 HydrophobicContact CB-CB 4.48Å; Q495-F512 HydrophobicContact CB-CD2 3.73Å; Q495-F512 HydrophobicContact CB-CE2 4.49Å; Q495-T515 VanDerWaalsContact CD-OG1 3.26Å; Q495-T515 PolarHBondContact NE2-OG1 3.42Å; Q495-T515 VanDerWaalsContact OE1-CB 3.29Å; Q495-T515 PolarHBondContact OE1-OG1 3.11Å
496	V	92.6	Very high	91.3	Very high	7 Å²	7	44.4 Å²	44.4	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-59.6	-41.8	175.1	173.2	0	0	0	0	110.7	I315 I492 L498 L499 E500 F512	I315-V496 HydrophobicContact CG2-CG2 3.89Å; I492-V496 HydrophobicContact CG2-CG2 4.43Å; I492-V496 WeakPolarHBondContact O-CB 3.34Å; I492-V496 VanDerWaalsContact O-CG2 3.32Å; I492-V496 WeakPolarHBondContact O-CG2 3.41Å; I492-V496 PolarHBondContact O-N 3.29Å; V496-L498 PolarHBondContact O-N 3.46Å; V496-L499 PolarHBondContact O-N 3.2Å; V496-E500 WeakPolarHBondContact O-CG 3.38Å; V496-E500 PolarHBondContact O-N 2.85Å; V496-F512 HydrophobicContact CG2-CE2 3.73Å; V496-F512 HydrophobicContact CG2-CZ 3.96Å
497	R	90.2	Very high	91.6	Very high	112 Å²	112	46.4 Å²	46.4	42%	0.423	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-27.3	177.9	-174.7	52.8	176.8	160.1	1.4	113.7	K493 A494 Q495 E500	K493-R497 PolarHBondContact O-N 3.18Å; A494-R497 PolarHBondContact O-N 3.24Å; Q495-R497 VanDerWaalsContact C-N 3.29Å; Q495-R497 PolarHBondContact O-N 3.04Å; R497-E500 VanDerWaalsContact CD-OE2 3.23Å; R497-E500 WeakPolarHBondContact CD-OE2 3.15Å; R497-E500 IonicContact CZ-OE2 3.33Å; R497-E500 IonicContact NE-OE2 2.68Å; R497-E500 IonicContact NH1-OE2 2.64Å; R497-E500 PolarHBondContact NH1-OE2 3.32Å
498	L	91.5	Very high	91.6	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-85.1	-38.7	174.6	-169.2	62.2	0	0	0	111.9	L471 K472 V475 A494 Q495 V496 E500 K501 H502 L508	L471-L498 HydrophobicContact CD2-CD1 4Å; L471-L498 HydrophobicContact CG-CD1 4.06Å; K472-L498 HydrophobicContact CG-CD1 3.9Å; K472-L498 HydrophobicContact CG-CD2 4.2Å; V475-L498 HydrophobicContact CB-CD2 4.12Å; V475-L498 HydrophobicContact CG1-CB 4.17Å; V475-L498 HydrophobicContact CG1-CD2 3.92Å; V475-L498 HydrophobicContact CG2-CB 4.33Å; A494-L498 PolarHBondContact O-N 2.99Å; Q495-L498 PolarHBondContact O-N 2.91Å; Q495-L498 VanDerWaalsContact O-N 3.13Å; V496-L498 PolarHBondContact O-N 3.46Å; L498-E500 VanDerWaalsContact C-N 3.28Å; L498-E500 PolarHBondContact O-N 2.64Å; L498-K501 PolarHBondContact O-N 2.67Å; L498-H502 PolarHBondContact O-N 3.36Å; L498-L508 HydrophobicContact CD2-CD1 3.75Å; L498-L508 HydrophobicContact CD2-CD2 3.61Å; L498-L508 HydrophobicContact CD2-CG 4.34Å; L498-L508 HydrophobicContact CG-CD1 3.73Å; L498-L508 HydrophobicContact CG-CD2 4.48Å
499	L	92.1	Very high	91.8	Very high	9 Å²	9	44.8 Å²	44.8	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-26.4	174.3	-74	167	0	0	0	113	I315 Q495 V496 K501 H502 P503 L508 L509 F512	I315-L499 HydrophobicContact CD1-CD1 3.88Å; Q495-L499 WeakPolarHBondContact O-CB 3.44Å; Q495-L499 WeakPolarHBondContact O-CG 3.33Å; Q495-L499 PolarHBondContact O-N 2.67Å; V496-L499 PolarHBondContact O-N 3.2Å; L499-K501 PolarHBondContact O-N 3.09Å; L499-H502 CarbonylContact O-C 3.52Å; L499-H502 PolarHBondContact O-N 3.22Å; L499-P503 WeakPolarHBondContact O-CA 3.49Å; L499-P503 WeakPolarHBondContact O-CB 3.21Å; L499-P503 WeakPolarHBondContact O-CD 3.16Å; L499-L508 HydrophobicContact CD2-CB 3.65Å; L499-L508 HydrophobicContact CG-CB 4.31Å; L499-L509 HydrophobicContact CD1-CD2 4.26Å; L499-L509 HydrophobicContact CD2-CD2 3.78Å; L499-L509 HydrophobicContact CD2-CG 3.92Å; L499-F512 HydrophobicContact CD1-CB 3.78Å; L499-F512 HydrophobicContact CD1-CD1 4.05Å; L499-F512 HydrophobicContact CD1-CD2 4.26Å; L499-F512 HydrophobicContact CD1-CG 3.78Å
500	E	88.5	Confident	92.1	Very high	118 Å²	118	41.3 Å²	41.3	55%	0.551	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.6	167.9	-80.8	174.3	176.6	0	0	112.5	V496 R497 L498	V496-E500 WeakPolarHBondContact O-CG 3.38Å; V496-E500 PolarHBondContact O-N 2.85Å; R497-E500 VanDerWaalsContact CD-OE2 3.23Å; R497-E500 WeakPolarHBondContact CD-OE2 3.15Å; R497-E500 IonicContact CZ-OE2 3.33Å; R497-E500 IonicContact NE-OE2 2.68Å; R497-E500 IonicContact NH1-OE2 2.64Å; R497-E500 PolarHBondContact NH1-OE2 3.32Å; L498-E500 VanDerWaalsContact C-N 3.28Å; L498-E500 PolarHBondContact O-N 2.64Å
501	K	89.2	Confident	92.2	Very high	82 Å²	82	41.2 Å²	41.2	36%	0.357	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-32.7	175.1	-70.2	-169.3	176.1	-176.1	0	113	D468 L471 L498 L499 P503	D468-K501 WeakPolarHBondContact OD1-CD 3.42Å; D468-K501 IonicContact OD1-NZ 3.17Å; D468-K501 PolarHBondContact OD1-NZ 2.88Å; L471-K501 HydrophobicContact CD2-CD 3.82Å; L498-K501 PolarHBondContact O-N 2.67Å; L499-K501 PolarHBondContact O-N 3.09Å; K501-P503 VanDerWaalsContact C-CD 3.42Å; K501-P503 WeakPolarHBondContact O-CD 3.42Å
502	H	90.5	Very high	92.3	Very high	44 Å²	44	41.2 Å²	41.2	20%	0.204	20%	0.204	C	C	.	.			trans	-128.3	57.8	-171	-54.3	-38.2	0	0	0	112.6	K472 L498 L499 K504 D505 L508	K472-H502 VanDerWaalsContact CE-NE2 3.33Å; K472-H502 WeakPolarHBondContact CE-NE2 3.5Å; L498-H502 PolarHBondContact O-N 3.36Å; L499-H502 CarbonylContact O-C 3.52Å; L499-H502 PolarHBondContact O-N 3.22Å; H502-K504 PolarHBondContact O-N 3.48Å; H502-D505 HydrophobicContact CB-CB 4.14Å; H502-D505 WeakPolarHBondContact O-CB 3.45Å; H502-D505 PolarHBondContact O-N 3.43Å; H502-D505 VanDerWaalsContact O-N 3.15Å; H502-L508 HydrophobicContact CB-CD1 3.99Å
503	P	89	Confident	92.5	Very high	64 Å²	64	41.1 Å²	41.1	42%	0.416	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.3	-167.4	28.9	-37.7	0	0	0	115.6	L499 K501	L499-P503 WeakPolarHBondContact O-CA 3.49Å; L499-P503 WeakPolarHBondContact O-CB 3.21Å; L499-P503 WeakPolarHBondContact O-CD 3.16Å; K501-P503 VanDerWaalsContact C-CD 3.42Å; K501-P503 WeakPolarHBondContact O-CD 3.42Å
504	K	87.7	Confident	92.6	Very high	109 Å²	109	38.4 Å²	38.4	47%	0.474	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	7	177.1	-63.1	-164.2	179.7	-168	0	113.5	H502 T506 K535	H502-K504 PolarHBondContact O-N 3.48Å; K504-T506 PolarHBondContact O-N 2.83Å; K504-K535 WeakPolarHBondContact O-CE 3.27Å; K504-K535 PolarHBondContact O-NZ 2.8Å
505	D	92.5	Very high	92.6	Very high	57 Å²	57	38.4 Å²	38.4	31%	0.305	19%	0.192	S	C	.	.			trans	-76.2	114.3	176.8	-173.7	-43.6	0	0	0	110.3	H502 S507 L508 L509	H502-D505 HydrophobicContact CB-CB 4.14Å; H502-D505 WeakPolarHBondContact O-CB 3.45Å; H502-D505 PolarHBondContact O-N 3.43Å; H502-D505 VanDerWaalsContact O-N 3.15Å; D505-S507 WeakPolarHBondContact OD1-CA 3.4Å; D505-S507 WeakPolarHBondContact OD1-CB 3.28Å; D505-S507 PolarHBondContact OD1-N 3.39Å; D505-L508 HydrophobicContact CB-CB 4.09Å; D505-L508 HydrophobicContact CB-CD1 3.94Å; D505-L508 HydrophobicContact CB-CG 4.05Å; D505-L508 PolarHBondContact OD1-N 3.17Å; D505-L509 WeakPolarHBondContact O-CB 3.21Å; D505-L509 VanDerWaalsContact O-CG 3.25Å; D505-L509 WeakPolarHBondContact O-CG 3.31Å; D505-L509 PolarHBondContact O-N 2.85Å; D505-L509 VanDerWaalsContact O-N 3.07Å
506	T	94	Very high	92.5	Very high	20 Å²	20	38 Å²	38	12%	0.123	19%	0.191	C	C	.	.	H	α-helix	trans	-75.4	-25.9	-175.3	43.1	0	0	0	0	112.8	K504 N510 V532 K535 E536	K504-T506 PolarHBondContact O-N 2.83Å; T506-N510 WeakPolarHBondContact O-CB 3.47Å; T506-N510 PolarHBondContact O-N 3.11Å; T506-N510 PolarHBondContact O-OD1 3.46Å; T506-V532 HydrophobicContact CG2-CB 4.38Å; T506-V532 HydrophobicContact CG2-CG1 3.78Å; T506-V532 HydrophobicContact CG2-CG2 4.24Å; T506-K535 HydrophobicContact CG2-CD 4.21Å; T506-E536 WeakPolarHBondContact CB-OE2 3.28Å; T506-E536 HydrophobicContact CG2-CB 4.36Å; T506-E536 WeakPolarHBondContact CG2-OE2 3.4Å; T506-E536 PolarHBondContact OG1-OE2 2.97Å
507	S	93.3	Very high	92.5	Very high	76 Å²	76	38.3 Å²	38.3	53%	0.531	19%	0.192	S	C	.	.	H	α-helix	trans	-71.3	-39.4	174.4	-172.9	0	0	0	0	111.3	D505 D511	D505-S507 WeakPolarHBondContact OD1-CA 3.4Å; D505-S507 WeakPolarHBondContact OD1-CB 3.28Å; D505-S507 PolarHBondContact OD1-N 3.39Å; S507-D511 PolarHBondContact O-N 3.05Å; S507-D511 VanDerWaalsContact O-N 3.08Å
508	L	93.7	Very high	92.5	Very high	35 Å²	35	35.6 Å²	35.6	18%	0.183	18%	0.184	C	C	.	.	H	α-helix	trans	-71.9	-35.4	175.2	-64.1	-178.4	0	0	0	112.5	L498 L499 H502 D505 F512	L498-L508 HydrophobicContact CD2-CD1 3.75Å; L498-L508 HydrophobicContact CD2-CD2 3.61Å; L498-L508 HydrophobicContact CD2-CG 4.34Å; L498-L508 HydrophobicContact CG-CD1 3.73Å; L498-L508 HydrophobicContact CG-CD2 4.48Å; L499-L508 HydrophobicContact CD2-CB 3.65Å; L499-L508 HydrophobicContact CG-CB 4.31Å; H502-L508 HydrophobicContact CB-CD1 3.99Å; D505-L508 HydrophobicContact CB-CB 4.09Å; D505-L508 HydrophobicContact CB-CD1 3.94Å; D505-L508 HydrophobicContact CB-CG 4.05Å; D505-L508 PolarHBondContact OD1-N 3.17Å; L508-F512 VanDerWaalsContact O-CB 3.28Å; L508-F512 WeakPolarHBondContact O-CB 3.35Å; L508-F512 PolarHBondContact O-N 3.49Å
509	L	95.6	Very high	92.3	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-41	174	-72.1	169	0	0	0	111.7	L313 I315 L499 D505 F512 A513 V528 V532	L313-L509 HydrophobicContact CD2-CD2 3.77Å; I315-L509 HydrophobicContact CD1-CD2 3.76Å; L499-L509 HydrophobicContact CD1-CD2 4.26Å; L499-L509 HydrophobicContact CD2-CD2 3.78Å; L499-L509 HydrophobicContact CD2-CG 3.92Å; D505-L509 WeakPolarHBondContact O-CB 3.21Å; D505-L509 VanDerWaalsContact O-CG 3.25Å; D505-L509 WeakPolarHBondContact O-CG 3.31Å; D505-L509 PolarHBondContact O-N 2.85Å; D505-L509 VanDerWaalsContact O-N 3.07Å; L509-F512 PolarHBondContact O-N 3.16Å; L509-A513 WeakPolarHBondContact O-CB 3.35Å; L509-A513 PolarHBondContact O-N 3.2Å; L509-V528 HydrophobicContact CB-CG1 3.94Å; L509-V528 HydrophobicContact CD2-CG1 4.08Å; L509-V528 VanDerWaalsContact O-CG1 3.22Å; L509-V528 WeakPolarHBondContact O-CG1 3.46Å; L509-V532 HydrophobicContact CB-CG2 3.52Å; L509-V532 HydrophobicContact CD1-CG2 4.09Å; L509-V532 HydrophobicContact CG-CG2 4.46Å
510	N	95.4	Very high	92.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-51.7	172.3	-76.7	-5.6	0	0	0	111.7	T506 F512 A513 I514 N539 E541	T506-N510 WeakPolarHBondContact O-CB 3.47Å; T506-N510 PolarHBondContact O-N 3.11Å; T506-N510 PolarHBondContact O-OD1 3.46Å; N510-F512 VanDerWaalsContact C-N 3.26Å; N510-F512 PolarHBondContact O-N 3.46Å; N510-A513 WeakPolarHBondContact O-CB 3.12Å; N510-A513 PolarHBondContact O-N 3.46Å; N510-A513 VanDerWaalsContact O-N 3.1Å; N510-I514 VanDerWaalsContact O-CG1 3.29Å; N510-I514 WeakPolarHBondContact O-CG1 3.31Å; N510-I514 PolarHBondContact O-N 3.02Å; N510-N539 PolarHBondContact ND2-OD1 2.63Å; N510-E541 HydrophobicContact CB-CG 4.3Å; N510-E541 VanDerWaalsContact CB-OE2 3.3Å; N510-E541 WeakPolarHBondContact CB-OE2 3.49Å; N510-E541 WeakPolarHBondContact ND2-CB 3.19Å; N510-E541 PolarHBondContact ND2-OE2 3.39Å
511	D	94.2	Very high	92.2	Very high	35 Å²	35	35.8 Å²	35.8	19%	0.187	19%	0.185	C	C	.	.	H	α-helix	trans	-61.7	-36.3	-179.8	-172.2	53.1	0	0	0	111.7	R483 Q495 S507 I514 T515	R483-D511 IonicContact CZ-OD1 2.99Å; R483-D511 IonicContact NH1-OD1 3.46Å; R483-D511 PolarHBondContact NH1-OD1 2.67Å; R483-D511 IonicContact NH1-OD2 3.87Å; R483-D511 PolarHBondContact NH2-O 2.99Å; R483-D511 IonicContact NH2-OD1 3.61Å; R483-D511 PolarHBondContact NH2-OD1 3.31Å; R483-D511 IonicContact NH2-OD2 3.76Å; Q495-D511 VanDerWaalsContact NE2-CG 3.35Å; Q495-D511 PolarHBondContact NE2-O 3.21Å; Q495-D511 PolarHBondContact NE2-OD2 3.43Å; S507-D511 PolarHBondContact O-N 3.05Å; S507-D511 VanDerWaalsContact O-N 3.08Å; D511-I514 PolarHBondContact O-N 3.44Å; D511-T515 PolarHBondContact O-N 3Å; D511-T515 VanDerWaalsContact O-N 3.13Å; D511-T515 PolarHBondContact O-OG1 2.76Å
512	F	96	Very high	92.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.3	-43.7	172.3	-179	-116.2	0	0	0	113	I315 V335 I337 I492 Q495 V496 L499 L508 L509 N510 I514 T515 L516 V528	I315-F512 HydrophobicContact CD1-CD1 3.83Å; I315-F512 HydrophobicContact CD1-CE1 3.64Å; I315-F512 HydrophobicContact CD1-CZ 4.49Å; I315-F512 HydrophobicContact CG1-CE1 4.17Å; I315-F512 HydrophobicContact CG2-CE1 3.86Å; I315-F512 HydrophobicContact CG2-CZ 3.77Å; V335-F512 HydrophobicContact CG1-CE1 4.4Å; V335-F512 HydrophobicContact CG1-CZ 3.79Å; V335-F512 HydrophobicContact CG2-CE2 4.47Å; V335-F512 HydrophobicContact CG2-CZ 4.07Å; I337-F512 HydrophobicContact CD1-CE1 4.09Å; I492-F512 HydrophobicContact CB-CE2 4.4Å; I492-F512 HydrophobicContact CD1-CE2 4.35Å; I492-F512 HydrophobicContact CG1-CE2 4.05Å; I492-F512 HydrophobicContact CG2-CE2 4.14Å; Q495-F512 HydrophobicContact CB-CB 4.48Å; Q495-F512 HydrophobicContact CB-CD2 3.73Å; Q495-F512 HydrophobicContact CB-CE2 4.49Å; V496-F512 HydrophobicContact CG2-CE2 3.73Å; V496-F512 HydrophobicContact CG2-CZ 3.96Å; L499-F512 HydrophobicContact CD1-CB 3.78Å; L499-F512 HydrophobicContact CD1-CD1 4.05Å; L499-F512 HydrophobicContact CD1-CD2 4.26Å; L499-F512 HydrophobicContact CD1-CG 3.78Å; L508-F512 VanDerWaalsContact O-CB 3.28Å; L508-F512 WeakPolarHBondContact O-CB 3.35Å; L508-F512 PolarHBondContact O-N 3.49Å; L509-F512 PolarHBondContact O-N 3.16Å; N510-F512 VanDerWaalsContact C-N 3.26Å; N510-F512 PolarHBondContact O-N 3.46Å; F512-I514 VanDerWaalsContact C-N 3.32Å; F512-I514 PolarHBondContact O-N 2.89Å; F512-T515 PolarHBondContact O-N 2.89Å; F512-L516 HydrophobicContact CD1-CD1 3.98Å; F512-L516 HydrophobicContact CE1-CD1 3.68Å; F512-L516 HydrophobicContact CZ-CD1 4.08Å; F512-L516 PolarHBondContact O-N 2.8Å; F512-L516 VanDerWaalsContact O-N 3.08Å; F512-V528 HydrophobicContact CD1-CG1 4.42Å; F512-V528 HydrophobicContact CD1-CG2 4.11Å; F512-V528 HydrophobicContact CE1-CG2 4.24Å
513	A	95.2	Very high	92.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-35	175.9	0	0	0	0	0	112.6	L509 N510 L516 L517 V528 F529	L509-A513 WeakPolarHBondContact O-CB 3.35Å; L509-A513 PolarHBondContact O-N 3.2Å; N510-A513 WeakPolarHBondContact O-CB 3.12Å; N510-A513 PolarHBondContact O-N 3.46Å; N510-A513 VanDerWaalsContact O-N 3.1Å; A513-L516 PolarHBondContact O-N 2.64Å; A513-L517 PolarHBondContact O-N 3.26Å; A513-V528 HydrophobicContact CB-CB 3.82Å; A513-V528 HydrophobicContact CB-CG1 3.81Å; A513-F529 HydrophobicContact CB-CD1 3.79Å; A513-F529 HydrophobicContact CB-CD2 3.92Å; A513-F529 HydrophobicContact CB-CE1 3.45Å; A513-F529 VanDerWaalsContact CB-CE1 3.45Å; A513-F529 HydrophobicContact CB-CE2 3.57Å; A513-F529 HydrophobicContact CB-CG 4.01Å; A513-F529 HydrophobicContact CB-CZ 3.32Å
514	I	94	Very high	92.2	Very high	15 Å²	15	35.3 Å²	35.3	8%	0.077	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-37.4	173	-65.8	164	0	0	0	111	N510 D511 F512 L517 M518 F529 E541 Y545	N510-I514 VanDerWaalsContact O-CG1 3.29Å; N510-I514 WeakPolarHBondContact O-CG1 3.31Å; N510-I514 PolarHBondContact O-N 3.02Å; D511-I514 PolarHBondContact O-N 3.44Å; F512-I514 VanDerWaalsContact C-N 3.32Å; F512-I514 PolarHBondContact O-N 2.89Å; I514-L517 WeakPolarHBondContact O-CB 3.46Å; I514-L517 PolarHBondContact O-N 2.89Å; I514-M518 WeakPolarHBondContact O-CG 3.25Å; I514-M518 PolarHBondContact O-N 2.86Å; I514-F529 HydrophobicContact CG1-CZ 4.07Å; I514-E541 HydrophobicContact CD1-CG 4.43Å; I514-Y545 HydrophobicContact CD1-CD2 3.95Å; I514-Y545 HydrophobicContact CD1-CE2 3.35Å; I514-Y545 HydrophobicContact CG1-CD2 3.9Å; I514-Y545 HydrophobicContact CG1-CE1 4.25Å; I514-Y545 HydrophobicContact CG1-CE2 3.62Å; I514-Y545 HydrophobicContact CG1-CG 4.34Å
515	T	94.2	Very high	92.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-39.4	173	-49	0	0	0	0	111.7	R483 F488 A491 I492 Q495 D511 F512 L517 M518 M519	R483-T515 PolarHBondContact NE-OG1 3.26Å; R483-T515 PolarHBondContact NH2-OG1 3.4Å; F488-T515 HydrophobicContact CB-CG2 4.31Å; F488-T515 HydrophobicContact CD1-CG2 4.35Å; A491-T515 HydrophobicContact CB-CG2 4Å; I492-T515 HydrophobicContact CD1-CG2 4.36Å; I492-T515 HydrophobicContact CG1-CG2 3.67Å; Q495-T515 VanDerWaalsContact CD-OG1 3.26Å; Q495-T515 PolarHBondContact NE2-OG1 3.42Å; Q495-T515 VanDerWaalsContact OE1-CB 3.29Å; Q495-T515 PolarHBondContact OE1-OG1 3.11Å; D511-T515 PolarHBondContact O-N 3Å; D511-T515 VanDerWaalsContact O-N 3.13Å; D511-T515 PolarHBondContact O-OG1 2.76Å; F512-T515 PolarHBondContact O-N 2.89Å; T515-L517 VanDerWaalsContact C-N 3.33Å; T515-L517 PolarHBondContact O-N 2.79Å; T515-M518 PolarHBondContact O-N 3.44Å; T515-M519 WeakPolarHBondContact O-CG 3.41Å; T515-M519 PolarHBondContact O-N 2.99Å
516	L	93.5	Very high	92.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-38.7	174.8	-70.7	163.1	0	0	0	111.9	I337 I492 F512 A513 M519 N520 R521 D524 A525 V528	I337-L516 HydrophobicContact CD1-CD1 3.67Å; I492-L516 HydrophobicContact CD1-CD2 3.63Å; I492-L516 HydrophobicContact CD1-CG 4.14Å; F512-L516 HydrophobicContact CD1-CD1 3.98Å; F512-L516 HydrophobicContact CE1-CD1 3.68Å; F512-L516 HydrophobicContact CZ-CD1 4.08Å; F512-L516 PolarHBondContact O-N 2.8Å; F512-L516 VanDerWaalsContact O-N 3.08Å; A513-L516 PolarHBondContact O-N 2.64Å; L516-M519 CarbonylContact O-C 3.49Å; L516-M519 PolarHBondContact O-N 2.65Å; L516-N520 PolarHBondContact O-N 3Å; L516-R521 HydrophobicContact CB-CB 4.33Å; L516-R521 HydrophobicContact CD2-CB 4.17Å; L516-R521 WeakPolarHBondContact O-CB 3.49Å; L516-R521 PolarHBondContact O-N 2.88Å; L516-D524 HydrophobicContact CD1-CB 4.19Å; L516-D524 HydrophobicContact CD2-CB 4.2Å; L516-A525 HydrophobicContact CB-CB 3.96Å; L516-V528 HydrophobicContact CD1-CG2 4.12Å
517	L	91.6	Very high	92.4	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-46.2	172	-170.5	87.8	0	0	0	111.5	A513 I514 T515 M519 N520 Y522 Y545 Y548 I549	A513-L517 PolarHBondContact O-N 3.26Å; I514-L517 WeakPolarHBondContact O-CB 3.46Å; I514-L517 PolarHBondContact O-N 2.89Å; T515-L517 VanDerWaalsContact C-N 3.33Å; T515-L517 PolarHBondContact O-N 2.79Å; L517-M519 PolarHBondContact O-N 2.9Å; L517-N520 PolarHBondContact O-N 3.23Å; L517-Y522 HydrophobicContact CD1-CD1 4.06Å; L517-Y522 HydrophobicContact CD1-CE1 4.39Å; L517-Y545 HydrophobicContact CD2-CD1 3.87Å; L517-Y545 HydrophobicContact CD2-CE1 3.93Å; L517-Y548 HydrophobicContact CD1-CD1 4.19Å; L517-Y548 HydrophobicContact CD1-CE1 4.08Å; L517-Y548 HydrophobicContact CD2-CD1 4.27Å; L517-Y548 HydrophobicContact CD2-CE1 3.97Å; L517-Y548 HydrophobicContact CG-CE1 4.46Å; L517-I549 HydrophobicContact CD1-CD1 3.7Å; L517-I549 HydrophobicContact CD1-CG1 3.45Å; L517-I549 VanDerWaalsContact CD1-CG1 3.45Å
518	M	90.1	Very high	92.3	Very high	54 Å²	54	26.7 Å²	26.7	27%	0.266	13%	0.127	S	C	.	.	H	α-helix	trans	-67.7	-12.7	177.6	-65.3	179.2	82.4	0	0	114.2	M75 R483 F488 I514 T515	M75-M518 HydrophobicContact CE-CE 3.68Å; M75-M518 HydrophobicContact SD-CE 4.36Å; R483-M518 HydrophobicContact CB-CE 4.21Å; R483-M518 HydrophobicContact CB-SD 4.42Å; R483-M518 HydrophobicContact CG-CE 4.36Å; R483-M518 HydrophobicContact CG-SD 3.94Å; F488-M518 HydrophobicContact CD1-CB 4.24Å; F488-M518 HydrophobicContact CE1-CB 3.75Å; F488-M518 HydrophobicContact CE1-CE 3.84Å; F488-M518 HydrophobicContact CE1-SD 4.23Å; F488-M518 WeakPolarHBondContact CE2-O 3.25Å; F488-M518 HydrophobicContact CZ-CB 3.97Å; F488-M518 HydrophobicContact CZ-CE 4.23Å; I514-M518 WeakPolarHBondContact O-CG 3.25Å; I514-M518 PolarHBondContact O-N 2.86Å; T515-M518 PolarHBondContact O-N 3.44Å
519	M	88.9	Confident	92.4	Very high	30 Å²	30	25 Å²	25	15%	0.148	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	13.8	170.6	-63.7	-177.9	79.7	0	0	112.7	F488 I492 T515 L516 L517 R521	F488-M519 HydrophobicContact CB-CE 4.06Å; F488-M519 HydrophobicContact CB-CG 3.35Å; F488-M519 HydrophobicContact CB-SD 3.52Å; F488-M519 VanDerWaalsContact CB-SD 3.52Å; F488-M519 HydrophobicContact CD2-CG 3.81Å; F488-M519 HydrophobicContact CG-CG 3.69Å; F488-M519 HydrophobicContact CG-SD 4.49Å; I492-M519 HydrophobicContact CD1-SD 3.39Å; I492-M519 WeakPolarHBondContact CD1-SD 3.21Å; I492-M519 HydrophobicContact CG1-SD 4.21Å; T515-M519 WeakPolarHBondContact O-CG 3.41Å; T515-M519 PolarHBondContact O-N 2.99Å; L516-M519 CarbonylContact O-C 3.49Å; L516-M519 PolarHBondContact O-N 2.65Å; L517-M519 PolarHBondContact O-N 2.9Å; M519-R521 HydrophobicContact CB-CG 4.07Å; M519-R521 PolarHBondContact O-N 3.45Å
520	N	87.9	Confident	92.3	Very high	51 Å²	51	25.5 Å²	25.5	27%	0.273	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	20.9	-173.7	-58.7	-11	0	0	0	114.2	L516 L517 Y522	L516-N520 PolarHBondContact O-N 3Å; L517-N520 PolarHBondContact O-N 3.23Å; N520-Y522 HydrophobicContact CB-CE1 4.36Å; N520-Y522 HydrophobicContact CB-CE2 3.92Å; N520-Y522 VanDerWaalsContact CG-OH 3.22Å; N520-Y522 VanDerWaalsContact O-CD2 3.28Å; N520-Y522 WeakPolarHBondContact O-CD2 3.28Å; N520-Y522 WeakPolarHBondContact O-CE2 3.44Å; N520-Y522 PolarHBondContact O-N 2.96Å; N520-Y522 PolarHBondContact OD1-OH 2.92Å; N520-Y522 VanDerWaalsContact OD1-OH 3.06Å
521	R	89.6	Confident	92	Very high	55 Å²	55	26.4 Å²	26.4	21%	0.208	13%	0.127	C	C	.	.			trans	-88.4	55.1	-180	-66.2	-179.2	61.7	-175.8	0.8	111.3	V335 L516 M519 D523 D524 A525	V335-R521 PolarHBondContact O-NH2 3.34Å; L516-R521 HydrophobicContact CB-CB 4.33Å; L516-R521 HydrophobicContact CD2-CB 4.17Å; L516-R521 WeakPolarHBondContact O-CB 3.49Å; L516-R521 PolarHBondContact O-N 2.88Å; M519-R521 HydrophobicContact CB-CG 4.07Å; M519-R521 PolarHBondContact O-N 3.45Å; R521-D523 VanDerWaalsContact C-N 3.3Å; R521-D523 PolarHBondContact O-N 3.46Å; R521-D524 HydrophobicContact CB-CB 4.3Å; R521-D524 IonicContact CZ-OD2 3.81Å; R521-D524 VanDerWaalsContact CZ-OD2 3.26Å; R521-D524 IonicContact NE-OD2 2.73Å; R521-D524 PolarHBondContact NE-OD2 2.98Å; R521-D524 IonicContact NH2-OD2 3.71Å; R521-D524 PolarHBondContact NH2-OD2 3.46Å; R521-D524 PolarHBondContact O-N 2.64Å; R521-A525 PolarHBondContact O-N 3.37Å
522	Y	89	Confident	92	Very high	59 Å²	59	24.7 Å²	24.7	23%	0.231	12%	0.118	C	C	.	.	H	α-helix	trans	-55.7	-40.1	-170.3	-49.6	-59.6	0	0	0	113.5	L517 N520 D524 A525 K526 V553	L517-Y522 HydrophobicContact CD1-CD1 4.06Å; L517-Y522 HydrophobicContact CD1-CE1 4.39Å; N520-Y522 HydrophobicContact CB-CE1 4.36Å; N520-Y522 HydrophobicContact CB-CE2 3.92Å; N520-Y522 VanDerWaalsContact CG-OH 3.22Å; N520-Y522 VanDerWaalsContact O-CD2 3.28Å; N520-Y522 WeakPolarHBondContact O-CD2 3.28Å; N520-Y522 WeakPolarHBondContact O-CE2 3.44Å; N520-Y522 PolarHBondContact O-N 2.96Å; N520-Y522 PolarHBondContact OD1-OH 2.92Å; N520-Y522 VanDerWaalsContact OD1-OH 3.06Å; Y522-D524 PolarHBondContact O-N 2.95Å; Y522-A525 PolarHBondContact O-N 3.01Å; Y522-K526 WeakPolarHBondContact O-CB 3.39Å; Y522-K526 WeakPolarHBondContact O-CG 3.45Å; Y522-K526 PolarHBondContact O-N 3.45Å; Y522-V553 HydrophobicContact CD1-CG2 3.82Å; Y522-V553 HydrophobicContact CD2-CB 4.39Å; Y522-V553 HydrophobicContact CD2-CG1 3.71Å; Y522-V553 HydrophobicContact CD2-CG2 3.73Å; Y522-V553 HydrophobicContact CE1-CG2 4.09Å; Y522-V553 HydrophobicContact CE2-CG1 4.42Å; Y522-V553 HydrophobicContact CE2-CG2 3.99Å; Y522-V553 HydrophobicContact CG-CB 4.4Å; Y522-V553 HydrophobicContact CG-CG1 4.02Å; Y522-V553 HydrophobicContact CG-CG2 3.64Å
523	D	89.6	Confident	91.9	Very high	93 Å²	93	25.2 Å²	25.2	50%	0.497	12%	0.121	S	C	.	.	H	α-helix	trans	-66.4	-34.2	177.9	-108.7	19.6	0	0	0	114.1	R521 K526 R527	R521-D523 VanDerWaalsContact C-N 3.3Å; R521-D523 PolarHBondContact O-N 3.46Å; D523-K526 WeakPolarHBondContact OD1-CE 3.33Å; D523-K526 IonicContact OD1-NZ 3Å; D523-K526 PolarHBondContact OD1-NZ 3.31Å; D523-K526 VanDerWaalsContact OD1-NZ 3.11Å; D523-R527 WeakPolarHBondContact O-CG 3.35Å; D523-R527 PolarHBondContact O-N 2.88Å; D523-R527 PolarHBondContact O-NE 3.04Å; D523-R527 IonicContact OD2-NH2 3.29Å
524	D	90.7	Very high	91.7	Very high	28 Å²	28	31.1 Å²	31.1	15%	0.15	15%	0.152	C	C	.	.	H	α-helix	trans	-76.7	-41.8	175.2	-72.9	-48.9	0	0	0	110.1	I337 L516 R521 Y522 R527 V528	I337-D524 HydrophobicContact CD1-CB 3.8Å; I337-D524 HydrophobicContact CG1-CB 4.41Å; L516-D524 HydrophobicContact CD1-CB 4.19Å; L516-D524 HydrophobicContact CD2-CB 4.2Å; R521-D524 HydrophobicContact CB-CB 4.3Å; R521-D524 IonicContact CZ-OD2 3.81Å; R521-D524 VanDerWaalsContact CZ-OD2 3.26Å; R521-D524 IonicContact NE-OD2 2.73Å; R521-D524 PolarHBondContact NE-OD2 2.98Å; R521-D524 IonicContact NH2-OD2 3.71Å; R521-D524 PolarHBondContact NH2-OD2 3.46Å; R521-D524 PolarHBondContact O-N 2.64Å; Y522-D524 PolarHBondContact O-N 2.95Å; D524-R527 PolarHBondContact O-N 3.05Å; D524-R527 IonicContact OD1-NH1 3.6Å; D524-V528 WeakPolarHBondContact O-CG2 3.31Å; D524-V528 PolarHBondContact O-N 2.93Å
525	A	93.3	Very high	91.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-47.2	174.2	0	0	0	0	0	112	L516 R521 Y522 R527 V528 F529 I549	L516-A525 HydrophobicContact CB-CB 3.96Å; R521-A525 PolarHBondContact O-N 3.37Å; Y522-A525 PolarHBondContact O-N 3.01Å; A525-R527 VanDerWaalsContact C-N 3.33Å; A525-R527 PolarHBondContact O-N 2.86Å; A525-V528 PolarHBondContact O-N 2.87Å; A525-V528 VanDerWaalsContact O-N 3.13Å; A525-F529 HydrophobicContact CB-CD2 4.45Å; A525-F529 HydrophobicContact CB-CE2 4.18Å; A525-F529 WeakPolarHBondContact O-CD2 3.47Å; A525-F529 PolarHBondContact O-N 2.96Å; A525-I549 HydrophobicContact CB-CD1 3.98Å
526	K	92.7	Very high	91.4	Very high	24 Å²	24	39 Å²	39	10%	0.104	19%	0.187	C	C	.	.	H	α-helix	trans	-52.8	-47.7	174.5	-80.8	-177.5	-66.2	-171.8	0	111.5	Y522 D523 V528 F529 L530 Y546 I549 D554	Y522-K526 WeakPolarHBondContact O-CB 3.39Å; Y522-K526 WeakPolarHBondContact O-CG 3.45Å; Y522-K526 PolarHBondContact O-N 3.45Å; D523-K526 WeakPolarHBondContact OD1-CE 3.33Å; D523-K526 IonicContact OD1-NZ 3Å; D523-K526 PolarHBondContact OD1-NZ 3.31Å; D523-K526 VanDerWaalsContact OD1-NZ 3.11Å; K526-V528 VanDerWaalsContact C-N 3.33Å; K526-V528 PolarHBondContact O-N 3.47Å; K526-F529 PolarHBondContact O-N 3.15Å; K526-L530 WeakPolarHBondContact O-CB 3.37Å; K526-L530 WeakPolarHBondContact O-CG 3.26Å; K526-L530 PolarHBondContact O-N 3.32Å; K526-Y546 HydrophobicContact CB-CD2 4.42Å; K526-Y546 HydrophobicContact CB-CE2 4.15Å; K526-Y546 HydrophobicContact CD-CE2 4.31Å; K526-Y546 HydrophobicContact CG-CD2 4.09Å; K526-Y546 HydrophobicContact CG-CE2 3.91Å; K526-I549 HydrophobicContact CD-CB 4.46Å; K526-I549 HydrophobicContact CD-CG2 3.67Å; K526-I549 HydrophobicContact CG-CB 4.18Å; K526-I549 HydrophobicContact CG-CD1 3.88Å; K526-I549 HydrophobicContact CG-CG2 3.74Å; K526-D554 WeakPolarHBondContact CD-OD2 3.45Å; K526-D554 IonicContact NZ-OD1 2.91Å; K526-D554 PolarHBondContact NZ-OD1 3.36Å; K526-D554 IonicContact NZ-OD2 2.67Å; K526-D554 PolarHBondContact NZ-OD2 3.02Å
527	R	90.9	Very high	91.3	Very high	58 Å²	58	42.1 Å²	42.1	22%	0.219	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-37.6	179.4	-69.6	171.8	-153.7	164.5	15.2	113	I337 P338 V340 D523 D524 A525 S531	I337-R527 HydrophobicContact CG2-CB 4.12Å; I337-R527 PolarHBondContact O-NH1 3.48Å; P338-R527 WeakPolarHBondContact O-CD 3.49Å; V340-R527 HydrophobicContact CB-CB 4.48Å; D523-R527 WeakPolarHBondContact O-CG 3.35Å; D523-R527 PolarHBondContact O-N 2.88Å; D523-R527 PolarHBondContact O-NE 3.04Å; D523-R527 IonicContact OD2-NH2 3.29Å; D524-R527 PolarHBondContact O-N 3.05Å; D524-R527 IonicContact OD1-NH1 3.6Å; A525-R527 VanDerWaalsContact C-N 3.33Å; A525-R527 PolarHBondContact O-N 2.86Å; R527-S531 PolarHBondContact O-N 2.95Å; R527-S531 PolarHBondContact O-OG 3.5Å
528	V	93.2	Very high	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.9	-51.1	177.5	-177.9	0	0	0	0	110.6	L313 I337 L509 F512 A513 L516 D524 A525 K526 L530 S531 V532	L313-V528 HydrophobicContact CD2-CG2 4.38Å; I337-V528 HydrophobicContact CD1-CG2 3.51Å; I337-V528 HydrophobicContact CG2-CG2 4.47Å; L509-V528 HydrophobicContact CB-CG1 3.94Å; L509-V528 HydrophobicContact CD2-CG1 4.08Å; L509-V528 VanDerWaalsContact O-CG1 3.22Å; L509-V528 WeakPolarHBondContact O-CG1 3.46Å; F512-V528 HydrophobicContact CD1-CG1 4.42Å; F512-V528 HydrophobicContact CD1-CG2 4.11Å; F512-V528 HydrophobicContact CE1-CG2 4.24Å; A513-V528 HydrophobicContact CB-CB 3.82Å; A513-V528 HydrophobicContact CB-CG1 3.81Å; L516-V528 HydrophobicContact CD1-CG2 4.12Å; D524-V528 WeakPolarHBondContact O-CG2 3.31Å; D524-V528 PolarHBondContact O-N 2.93Å; A525-V528 PolarHBondContact O-N 2.87Å; A525-V528 VanDerWaalsContact O-N 3.13Å; K526-V528 VanDerWaalsContact C-N 3.33Å; K526-V528 PolarHBondContact O-N 3.47Å; V528-L530 VanDerWaalsContact C-N 3.29Å; V528-L530 PolarHBondContact O-N 3.32Å; V528-S531 PolarHBondContact O-N 2.92Å; V528-S531 PolarHBondContact O-OG 3.2Å; V528-V532 PolarHBondContact O-N 3.34Å
529	F	94.7	Very high	91.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-41.8	176.4	-68	-56.4	0	0	0	112	A513 I514 A525 K526 S531 V532 L533 A542 Y545 I549	A513-F529 HydrophobicContact CB-CD1 3.79Å; A513-F529 HydrophobicContact CB-CD2 3.92Å; A513-F529 HydrophobicContact CB-CE1 3.45Å; A513-F529 VanDerWaalsContact CB-CE1 3.45Å; A513-F529 HydrophobicContact CB-CE2 3.57Å; A513-F529 HydrophobicContact CB-CG 4.01Å; A513-F529 HydrophobicContact CB-CZ 3.32Å; I514-F529 HydrophobicContact CG1-CZ 4.07Å; A525-F529 HydrophobicContact CB-CD2 4.45Å; A525-F529 HydrophobicContact CB-CE2 4.18Å; A525-F529 WeakPolarHBondContact O-CD2 3.47Å; A525-F529 PolarHBondContact O-N 2.96Å; K526-F529 PolarHBondContact O-N 3.15Å; F529-S531 VanDerWaalsContact C-N 3.34Å; F529-S531 PolarHBondContact O-N 2.9Å; F529-V532 WeakPolarHBondContact O-CB 2.94Å; F529-V532 PolarHBondContact O-N 3.45Å; F529-V532 VanDerWaalsContact O-N 3.1Å; F529-L533 WeakPolarHBondContact O-CG 3.33Å; F529-L533 PolarHBondContact O-N 3.39Å; F529-A542 HydrophobicContact CB-CB 4.48Å; F529-A542 HydrophobicContact CD1-CB 4.02Å; F529-Y545 HydrophobicContact CE1-CD2 4.29Å; F529-Y545 HydrophobicContact CE1-CG 4.27Å; F529-Y545 HydrophobicContact CE2-CG 4.38Å; F529-Y545 HydrophobicContact CZ-CD2 4.14Å; F529-Y545 AromaticContact CZ-CG 3.76Å; F529-Y545 HydrophobicContact CZ-CG 3.76Å; F529-I549 HydrophobicContact CD2-CD1 4.1Å; F529-I549 HydrophobicContact CE2-CD1 4.08Å
530	L	93.1	Very high	91.8	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.099	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-40	174.5	-77.8	179.5	0	0	0	112.9	L342 K526 V528 V532 L533 D534 Y546	L342-L530 HydrophobicContact CD1-CB 3.69Å; L342-L530 HydrophobicContact CD1-CD1 4.28Å; L342-L530 HydrophobicContact CD1-CD2 3.79Å; L342-L530 HydrophobicContact CD1-CG 4.12Å; L342-L530 HydrophobicContact CD2-CD2 3.9Å; L342-L530 HydrophobicContact CG-CD2 4.46Å; K526-L530 WeakPolarHBondContact O-CB 3.37Å; K526-L530 WeakPolarHBondContact O-CG 3.26Å; K526-L530 PolarHBondContact O-N 3.32Å; V528-L530 VanDerWaalsContact C-N 3.29Å; V528-L530 PolarHBondContact O-N 3.32Å; L530-V532 VanDerWaalsContact C-N 3.31Å; L530-V532 PolarHBondContact O-N 3.49Å; L530-L533 PolarHBondContact O-N 2.9Å; L530-D534 WeakPolarHBondContact O-CB 3.16Å; L530-D534 PolarHBondContact O-N 2.98Å; L530-Y546 HydrophobicContact CD1-CE2 3.88Å; L530-Y546 HydrophobicContact CD2-CD1 4.22Å; L530-Y546 HydrophobicContact CD2-CD2 4.15Å; L530-Y546 HydrophobicContact CD2-CE1 3.72Å; L530-Y546 HydrophobicContact CD2-CE2 3.66Å; L530-Y546 HydrophobicContact CD2-CG 4.43Å; L530-Y546 VanDerWaalsContact CD2-CZ 3.43Å; L530-Y546 HydrophobicContact CG-CD2 4.09Å; L530-Y546 HydrophobicContact CG-CE2 3.6Å
531	S	90.2	Very high	92.1	Very high	20 Å²	20	42.1 Å²	42.1	14%	0.14	22%	0.215	C	C	.	.	H	α-helix	trans	-69.8	-25.3	174.2	72.9	0	0	0	0	113.9	R527 V528 F529	R527-S531 PolarHBondContact O-N 2.95Å; R527-S531 PolarHBondContact O-OG 3.5Å; V528-S531 PolarHBondContact O-N 2.92Å; V528-S531 PolarHBondContact O-OG 3.2Å; F529-S531 VanDerWaalsContact C-N 3.34Å; F529-S531 PolarHBondContact O-N 2.9Å
532	V	94.2	Very high	92.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71.5	-45.5	169.1	170.6	0	0	0	0	110.1	T506 L509 V528 F529 L530 D534 K535 E536 N539 A542	T506-V532 HydrophobicContact CG2-CB 4.38Å; T506-V532 HydrophobicContact CG2-CG1 3.78Å; T506-V532 HydrophobicContact CG2-CG2 4.24Å; L509-V532 HydrophobicContact CB-CG2 3.52Å; L509-V532 HydrophobicContact CD1-CG2 4.09Å; L509-V532 HydrophobicContact CG-CG2 4.46Å; V528-V532 PolarHBondContact O-N 3.34Å; F529-V532 WeakPolarHBondContact O-CB 2.94Å; F529-V532 PolarHBondContact O-N 3.45Å; F529-V532 VanDerWaalsContact O-N 3.1Å; L530-V532 VanDerWaalsContact C-N 3.31Å; L530-V532 PolarHBondContact O-N 3.49Å; V532-D534 VanDerWaalsContact C-N 3.35Å; V532-D534 PolarHBondContact O-N 3.06Å; V532-K535 CarbonylContact O-C 3.58Å; V532-K535 PolarHBondContact O-N 3.33Å; V532-E536 WeakPolarHBondContact O-CA 3.4Å; V532-E536 PolarHBondContact O-N 3.07Å; V532-N539 HydrophobicContact CG1-CB 3.79Å; V532-A542 HydrophobicContact CB-CB 4.08Å; V532-A542 HydrophobicContact CG1-CB 3.66Å
533	L	93.8	Very high	92.8	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-68.3	-29.4	-179.3	-66.9	175.3	0	0	0	113.9	F529 L530 K535 E536 S537 A542 L543 Y546	F529-L533 WeakPolarHBondContact O-CG 3.33Å; F529-L533 PolarHBondContact O-N 3.39Å; L530-L533 PolarHBondContact O-N 2.9Å; L533-K535 VanDerWaalsContact C-N 3.34Å; L533-E536 CarbonylContact O-C 3.58Å; L533-S537 VanDerWaalsContact O-CA 3.23Å; L533-S537 WeakPolarHBondContact O-CA 3.44Å; L533-S537 PolarHBondContact O-N 3.43Å; L533-A542 HydrophobicContact CD2-CB 3.77Å; L533-A542 HydrophobicContact CG-CB 3.92Å; L533-L543 HydrophobicContact CD1-CD2 4.2Å; L533-L543 HydrophobicContact CD2-CD2 3.55Å; L533-L543 HydrophobicContact CD2-CG 3.64Å; L533-Y546 HydrophobicContact CD1-CD1 4.18Å; L533-Y546 HydrophobicContact CD1-CG 4.35Å
534	D	89.6	Confident	93.1	Very high	123 Å²	123	32.5 Å²	32.5	66%	0.658	17%	0.171	S	C	*	.	H	α-helix	trans	-64.9	-37.6	171.8	-169.9	70.2	0	0	0	111.7	L530 V532	L530-D534 WeakPolarHBondContact O-CB 3.16Å; L530-D534 PolarHBondContact O-N 2.98Å; V532-D534 VanDerWaalsContact C-N 3.35Å; V532-D534 PolarHBondContact O-N 3.06Å
535	K	89	Confident	93.3	Very high	120 Å²	120	32.1 Å²	32.1	52%	0.522	17%	0.168	S	C	.	.	H	α-helix	trans	-83.9	-33.2	176.4	174.9	169.4	173.7	-88.4	0	113.7	K504 T506 V532 L533	K504-K535 WeakPolarHBondContact O-CE 3.27Å; K504-K535 PolarHBondContact O-NZ 2.8Å; T506-K535 HydrophobicContact CG2-CD 4.21Å; V532-K535 CarbonylContact O-C 3.58Å; V532-K535 PolarHBondContact O-N 3.33Å; L533-K535 VanDerWaalsContact C-N 3.34Å
536	E	93	Very high	93.5	Very high	62 Å²	62	33.7 Å²	33.7	29%	0.29	17%	0.174	S	C	.	.			trans	-146.4	75.9	-168.7	-167.2	-165.1	152.7	0	0	109.4	T506 V532 L533 T538 N539	T506-E536 WeakPolarHBondContact CB-OE2 3.28Å; T506-E536 HydrophobicContact CG2-CB 4.36Å; T506-E536 WeakPolarHBondContact CG2-OE2 3.4Å; T506-E536 PolarHBondContact OG1-OE2 2.97Å; V532-E536 WeakPolarHBondContact O-CA 3.4Å; V532-E536 PolarHBondContact O-N 3.07Å; L533-E536 CarbonylContact O-C 3.58Å; E536-T538 PolarHBondContact O-N 3.38Å; E536-N539 HydrophobicContact CB-CB 4.17Å; E536-N539 VanDerWaalsContact CD-ND2 3.29Å; E536-N539 HydrophobicContact CG-CB 3.96Å; E536-N539 VanDerWaalsContact O-CB 3.29Å; E536-N539 WeakPolarHBondContact O-CB 3.41Å; E536-N539 PolarHBondContact O-N 3.43Å; E536-N539 PolarHBondContact OE1-ND2 2.68Å; E536-N539 PolarHBondContact OE2-ND2 3.04Å
537	S	92.5	Very high	93.6	Very high	64 Å²	64	32.5 Å²	32.5	45%	0.448	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-11.4	-173.5	82.6	0	0	0	0	115.1	L533 R566	L533-S537 VanDerWaalsContact O-CA 3.23Å; L533-S537 WeakPolarHBondContact O-CA 3.44Å; L533-S537 PolarHBondContact O-N 3.43Å; S537-R566 PolarHBondContact O-NH1 3.02Å; S537-R566 VanDerWaalsContact O-NH1 3.15Å; S537-R566 PolarHBondContact O-NH2 3.35Å; S537-R566 PolarHBondContact OG-NH2 2.79Å
538	T	93.8	Very high	93.8	Very high	74 Å²	74	30.5 Å²	30.5	45%	0.454	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	12.6	175.6	51	0	0	0	0	113.2	E536 A540 L570	E536-T538 PolarHBondContact O-N 3.38Å; T538-A540 PolarHBondContact O-N 2.97Å; T538-L570 HydrophobicContact CG2-CD2 4.36Å
539	N	94.1	Very high	93.8	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	16%	0.161	C	C	.	.			trans	-69.6	98.9	175.5	-169.7	-70.6	0	0	0	110.1	N510 V532 E536 E541 A542 L543	N510-N539 PolarHBondContact ND2-OD1 2.63Å; V532-N539 HydrophobicContact CG1-CB 3.79Å; E536-N539 HydrophobicContact CB-CB 4.17Å; E536-N539 VanDerWaalsContact CD-ND2 3.29Å; E536-N539 HydrophobicContact CG-CB 3.96Å; E536-N539 VanDerWaalsContact O-CB 3.29Å; E536-N539 WeakPolarHBondContact O-CB 3.41Å; E536-N539 PolarHBondContact O-N 3.43Å; E536-N539 PolarHBondContact OE1-ND2 2.68Å; E536-N539 PolarHBondContact OE2-ND2 3.04Å; N539-E541 VanDerWaalsContact C-N 3.31Å; N539-E541 PolarHBondContact O-N 3.13Å; N539-A542 HydrophobicContact CB-CB 4.06Å; N539-A542 PolarHBondContact O-N 3.21Å; N539-A542 WeakPolarHBondContact OD1-CB 3.43Å; N539-A542 PolarHBondContact OD1-N 2.83Å; N539-L543 WeakPolarHBondContact O-CG 3.48Å; N539-L543 PolarHBondContact O-N 3.29Å
540	A	93.9	Very high	93.7	Very high	19 Å²	19	30.5 Å²	30.5	16%	0.157	16%	0.161	C	C	.	.	H	α-helix	trans	-55.8	-42	-172.8	0	0	0	0	0	113.1	T538 L543 L544 L570	T538-A540 PolarHBondContact O-N 2.97Å; A540-L543 PolarHBondContact O-N 3.49Å; A540-L544 WeakPolarHBondContact O-CB 3.17Å; A540-L544 WeakPolarHBondContact O-CD1 3.42Å; A540-L544 WeakPolarHBondContact O-CG 3.38Å; A540-L544 PolarHBondContact O-N 3.41Å; A540-L570 HydrophobicContact CB-CB 3.91Å
541	E	94	Very high	93.7	Very high	42 Å²	42	30.7 Å²	30.7	20%	0.196	16%	0.161	C	C	.	.	H	α-helix	trans	-69.1	-39.9	-178.9	178.8	174.8	-125	0	0	112.3	N510 I514 N539 L544 Y545 R576	N510-E541 HydrophobicContact CB-CG 4.3Å; N510-E541 VanDerWaalsContact CB-OE2 3.3Å; N510-E541 WeakPolarHBondContact CB-OE2 3.49Å; N510-E541 WeakPolarHBondContact ND2-CB 3.19Å; N510-E541 PolarHBondContact ND2-OE2 3.39Å; I514-E541 HydrophobicContact CD1-CG 4.43Å; N539-E541 VanDerWaalsContact C-N 3.31Å; N539-E541 PolarHBondContact O-N 3.13Å; E541-L544 PolarHBondContact O-N 3.35Å; E541-Y545 HydrophobicContact CG-CD2 3.75Å; E541-Y545 HydrophobicContact CG-CE2 3.84Å; E541-Y545 WeakPolarHBondContact O-CD2 3.38Å; E541-Y545 PolarHBondContact O-N 2.92Å; E541-R576 IonicContact OE1-CZ 3.26Å; E541-R576 IonicContact OE1-NH1 2.68Å; E541-R576 PolarHBondContact OE1-NH1 3.46Å
542	A	95.8	Very high	93.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-39.1	173.7	0	0	0	0	0	112.3	F529 V532 L533 N539 Y546	F529-A542 HydrophobicContact CB-CB 4.48Å; F529-A542 HydrophobicContact CD1-CB 4.02Å; V532-A542 HydrophobicContact CB-CB 4.08Å; V532-A542 HydrophobicContact CG1-CB 3.66Å; L533-A542 HydrophobicContact CD2-CB 3.77Å; L533-A542 HydrophobicContact CG-CB 3.92Å; N539-A542 HydrophobicContact CB-CB 4.06Å; N539-A542 PolarHBondContact O-N 3.21Å; N539-A542 WeakPolarHBondContact OD1-CB 3.43Å; N539-A542 PolarHBondContact OD1-N 2.83Å; A542-Y546 WeakPolarHBondContact O-CB 3.33Å; A542-Y546 PolarHBondContact O-N 3.49Å
543	L	96.1	Very high	93.3	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-48.6	173.9	-70	170	0	0	0	111.1	L533 N539 A540 G547 F563 R566 L570	L533-L543 HydrophobicContact CD1-CD2 4.2Å; L533-L543 HydrophobicContact CD2-CD2 3.55Å; L533-L543 HydrophobicContact CD2-CG 3.64Å; N539-L543 WeakPolarHBondContact O-CG 3.48Å; N539-L543 PolarHBondContact O-N 3.29Å; A540-L543 PolarHBondContact O-N 3.49Å; L543-G547 PolarHBondContact O-N 2.89Å; L543-F563 HydrophobicContact CD2-CD1 3.74Å; L543-F563 HydrophobicContact CD2-CE1 4.36Å; L543-R566 HydrophobicContact CD1-CB 4.38Å; L543-R566 HydrophobicContact CD1-CG 3.95Å; L543-L570 HydrophobicContact CD1-CD1 3.37Å
544	L	96	Very high	93.1	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-62.4	-49.4	-179.1	-72.1	168.5	0	0	0	112.3	A540 E541 Y548 L568 V572 F580	A540-L544 WeakPolarHBondContact O-CB 3.17Å; A540-L544 WeakPolarHBondContact O-CD1 3.42Å; A540-L544 WeakPolarHBondContact O-CG 3.38Å; A540-L544 PolarHBondContact O-N 3.41Å; E541-L544 PolarHBondContact O-N 3.35Å; L544-Y548 WeakPolarHBondContact O-CB 3.44Å; L544-Y548 PolarHBondContact O-N 3.47Å; L544-L568 HydrophobicContact CD2-CD2 3.82Å; L544-L568 HydrophobicContact CD2-CG 3.83Å; L544-V572 HydrophobicContact CD1-CB 4.04Å; L544-V572 HydrophobicContact CD1-CG2 3.88Å; L544-F580 HydrophobicContact CB-CD1 3.87Å; L544-F580 HydrophobicContact CB-CD2 4.14Å; L544-F580 HydrophobicContact CB-CE1 3.74Å; L544-F580 HydrophobicContact CB-CE2 4.01Å; L544-F580 HydrophobicContact CB-CG 4.07Å; L544-F580 HydrophobicContact CB-CZ 3.81Å; L544-F580 HydrophobicContact CD1-CD2 3.99Å; L544-F580 HydrophobicContact CD1-CE2 4.09Å; L544-F580 HydrophobicContact CD2-CB 3.8Å; L544-F580 HydrophobicContact CD2-CD1 4.22Å; L544-F580 HydrophobicContact CD2-CD2 4.06Å; L544-F580 HydrophobicContact CD2-CG 3.77Å; L544-F580 HydrophobicContact CG-CD2 4.29Å; L544-F580 HydrophobicContact CG-CE2 4.5Å; L544-F580 HydrophobicContact CG-CG 4.33Å; L544-F580 WeakPolarHBondContact O-CE1 3.45Å
545	Y	96.3	Very high	93.1	Very high	20 Å²	20	38.3 Å²	38.3	8%	0.078	20%	0.2	C	C	.	.	H	α-helix	trans	-74.3	-32.2	-179.5	-79.4	-72.3	0	0	0	113.6	I514 L517 F529 E541 Y548 I549 F580	I514-Y545 HydrophobicContact CD1-CD2 3.95Å; I514-Y545 HydrophobicContact CD1-CE2 3.35Å; I514-Y545 HydrophobicContact CG1-CD2 3.9Å; I514-Y545 HydrophobicContact CG1-CE1 4.25Å; I514-Y545 HydrophobicContact CG1-CE2 3.62Å; I514-Y545 HydrophobicContact CG1-CG 4.34Å; L517-Y545 HydrophobicContact CD2-CD1 3.87Å; L517-Y545 HydrophobicContact CD2-CE1 3.93Å; F529-Y545 HydrophobicContact CE1-CD2 4.29Å; F529-Y545 HydrophobicContact CE1-CG 4.27Å; F529-Y545 HydrophobicContact CE2-CG 4.38Å; F529-Y545 HydrophobicContact CZ-CD2 4.14Å; F529-Y545 AromaticContact CZ-CG 3.76Å; F529-Y545 HydrophobicContact CZ-CG 3.76Å; E541-Y545 HydrophobicContact CG-CD2 3.75Å; E541-Y545 HydrophobicContact CG-CE2 3.84Å; E541-Y545 WeakPolarHBondContact O-CD2 3.38Å; E541-Y545 PolarHBondContact O-N 2.92Å; Y545-Y548 PolarHBondContact O-N 3.01Å; Y545-I549 WeakPolarHBondContact O-CG1 3.21Å; Y545-I549 PolarHBondContact O-N 3.12Å; Y545-I549 VanDerWaalsContact O-N 3.09Å; Y545-F580 HydrophobicContact CD1-CE1 4.11Å; Y545-F580 AromaticContact CD1-CZ 4Å; Y545-F580 HydrophobicContact CD1-CZ 4Å; Y545-F580 HydrophobicContact CD2-CZ 4.09Å; Y545-F580 HydrophobicContact CE1-CE1 4.3Å; Y545-F580 AromaticContact CE1-CZ 3.84Å; Y545-F580 HydrophobicContact CE1-CZ 3.84Å; Y545-F580 AromaticContact CE2-CZ 3.93Å; Y545-F580 HydrophobicContact CE2-CZ 3.93Å; Y545-F580 HydrophobicContact CG-CE1 4.33Å; Y545-F580 HydrophobicContact CG-CZ 4.13Å; Y545-F580 AromaticContact CZ-CZ 3.81Å
546	Y	96.3	Very high	93.2	Very high	32 Å²	32	36 Å²	36	13%	0.125	19%	0.191	C	C	.	.	H	α-helix	trans	-66.2	-46.4	172.7	-174.9	-115.3	0	0	0	111.1	K526 L530 L533 A542 Y548 I549 L550 F563	K526-Y546 HydrophobicContact CB-CD2 4.42Å; K526-Y546 HydrophobicContact CB-CE2 4.15Å; K526-Y546 HydrophobicContact CD-CE2 4.31Å; K526-Y546 HydrophobicContact CG-CD2 4.09Å; K526-Y546 HydrophobicContact CG-CE2 3.91Å; L530-Y546 HydrophobicContact CD1-CE2 3.88Å; L530-Y546 HydrophobicContact CD2-CD1 4.22Å; L530-Y546 HydrophobicContact CD2-CD2 4.15Å; L530-Y546 HydrophobicContact CD2-CE1 3.72Å; L530-Y546 HydrophobicContact CD2-CE2 3.66Å; L530-Y546 HydrophobicContact CD2-CG 4.43Å; L530-Y546 VanDerWaalsContact CD2-CZ 3.43Å; L530-Y546 HydrophobicContact CG-CD2 4.09Å; L530-Y546 HydrophobicContact CG-CE2 3.6Å; L533-Y546 HydrophobicContact CD1-CD1 4.18Å; L533-Y546 HydrophobicContact CD1-CG 4.35Å; A542-Y546 WeakPolarHBondContact O-CB 3.33Å; A542-Y546 PolarHBondContact O-N 3.49Å; Y546-Y548 VanDerWaalsContact C-N 3.3Å; Y546-Y548 PolarHBondContact O-N 2.88Å; Y546-I549 PolarHBondContact O-N 3.26Å; Y546-L550 HydrophobicContact CD1-CD1 3.82Å; Y546-L550 HydrophobicContact CE1-CD1 3.51Å; Y546-L550 HydrophobicContact CE1-CG 4.22Å; Y546-L550 WeakPolarHBondContact O-CG 3.43Å; Y546-L550 PolarHBondContact O-N 3.08Å; Y546-F563 HydrophobicContact CD1-CD1 4.03Å; Y546-F563 AromaticContact CD1-CD2 3.85Å; Y546-F563 HydrophobicContact CD1-CD2 3.85Å; Y546-F563 HydrophobicContact CD1-CE1 4.08Å; Y546-F563 AromaticContact CD1-CE2 3.92Å; Y546-F563 HydrophobicContact CD1-CE2 3.92Å; Y546-F563 AromaticContact CD1-CG 3.93Å; Y546-F563 HydrophobicContact CD1-CG 3.93Å; Y546-F563 HydrophobicContact CD1-CZ 4.04Å; Y546-F563 AromaticContact CE1-CD2 3.94Å; Y546-F563 HydrophobicContact CE1-CD2 3.94Å; Y546-F563 HydrophobicContact CE1-CE1 4.23Å; Y546-F563 AromaticContact CE1-CE2 3.59Å; Y546-F563 HydrophobicContact CE1-CE2 3.59Å; Y546-F563 HydrophobicContact CE1-CG 4.44Å; Y546-F563 AromaticContact CE1-CZ 3.75Å; Y546-F563 HydrophobicContact CE1-CZ 3.75Å
547	G	95.5	Very high	93.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-35.4	173.6	0	0	0	0	0	113.5	L543 L550 K551 A560	L543-G547 PolarHBondContact O-N 2.89Å; G547-L550 PolarHBondContact O-N 3.28Å; G547-K551 PolarHBondContact O-N 3.45Å; G547-A560 VanDerWaalsContact O-CB 3.28Å; G547-A560 WeakPolarHBondContact O-CB 3.47Å
548	Y	94.3	Very high	93.3	Very high	16 Å²	16	38.2 Å²	38.2	6%	0.063	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-48.4	172.5	170	-101.4	0	0	0	112.5	L517 L544 Y545 Y546 L550 K551 T552 H583	L517-Y548 HydrophobicContact CD1-CD1 4.19Å; L517-Y548 HydrophobicContact CD1-CE1 4.08Å; L517-Y548 HydrophobicContact CD2-CD1 4.27Å; L517-Y548 HydrophobicContact CD2-CE1 3.97Å; L517-Y548 HydrophobicContact CG-CE1 4.46Å; L544-Y548 WeakPolarHBondContact O-CB 3.44Å; L544-Y548 PolarHBondContact O-N 3.47Å; Y545-Y548 PolarHBondContact O-N 3.01Å; Y546-Y548 VanDerWaalsContact C-N 3.3Å; Y546-Y548 PolarHBondContact O-N 2.88Å; Y548-L550 VanDerWaalsContact C-N 3.32Å; Y548-L550 PolarHBondContact O-N 3.17Å; Y548-K551 WeakPolarHBondContact O-CB 3.4Å; Y548-K551 PolarHBondContact O-N 3.09Å; Y548-K551 VanDerWaalsContact O-N 3.08Å; Y548-T552 HydrophobicContact CD2-CG2 3.99Å; Y548-T552 HydrophobicContact CE2-CG2 3.55Å; Y548-T552 PolarHBondContact O-N 3.43Å; Y548-T552 PolarHBondContact O-OG1 3.04Å; Y548-T552 VanDerWaalsContact O-OG1 3.04Å; Y548-H583 AromaticContact CD2-CD2 3.5Å; Y548-H583 AromaticContact CE2-CD2 3.46Å; Y548-H583 VanDerWaalsContact CE2-CD2 3.46Å; Y548-H583 WeakPolarHBondContact CE2-CD2 3.47Å; Y548-H583 AromaticContact CE2-NE2 3.49Å; Y548-H583 WeakPolarHBondContact CE2-NE2 3.19Å
549	I	92.9	Very high	93.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-40.1	178	-59.3	164.4	0	0	0	110.8	L517 A525 K526 F529 Y545 Y546 K551 T552 V553 D554	L517-I549 HydrophobicContact CD1-CD1 3.7Å; L517-I549 HydrophobicContact CD1-CG1 3.45Å; L517-I549 VanDerWaalsContact CD1-CG1 3.45Å; A525-I549 HydrophobicContact CB-CD1 3.98Å; K526-I549 HydrophobicContact CD-CB 4.46Å; K526-I549 HydrophobicContact CD-CG2 3.67Å; K526-I549 HydrophobicContact CG-CB 4.18Å; K526-I549 HydrophobicContact CG-CD1 3.88Å; K526-I549 HydrophobicContact CG-CG2 3.74Å; F529-I549 HydrophobicContact CD2-CD1 4.1Å; F529-I549 HydrophobicContact CE2-CD1 4.08Å; Y545-I549 WeakPolarHBondContact O-CG1 3.21Å; Y545-I549 PolarHBondContact O-N 3.12Å; Y545-I549 VanDerWaalsContact O-N 3.09Å; Y546-I549 PolarHBondContact O-N 3.26Å; I549-K551 PolarHBondContact O-N 3.34Å; I549-T552 PolarHBondContact O-N 3.08Å; I549-V553 HydrophobicContact CG2-CB 3.91Å; I549-V553 HydrophobicContact CG2-CG2 3.94Å; I549-V553 WeakPolarHBondContact O-CB 3.41Å; I549-V553 PolarHBondContact O-N 3.44Å; I549-D554 PolarHBondContact O-N 3.45Å
550	L	94.4	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.4	-34.9	174.3	-71.1	172.3	0	0	0	112.1	Y546 G547 Y548 D554 E555 E556 K559 A560 F563	Y546-L550 HydrophobicContact CD1-CD1 3.82Å; Y546-L550 HydrophobicContact CE1-CD1 3.51Å; Y546-L550 HydrophobicContact CE1-CG 4.22Å; Y546-L550 WeakPolarHBondContact O-CG 3.43Å; Y546-L550 PolarHBondContact O-N 3.08Å; G547-L550 PolarHBondContact O-N 3.28Å; Y548-L550 VanDerWaalsContact C-N 3.32Å; Y548-L550 PolarHBondContact O-N 3.17Å; L550-D554 HydrophobicContact CD2-CB 4.33Å; L550-E555 CarbonylContact O-C 3.57Å; L550-E555 PolarHBondContact O-N 3.02Å; L550-E555 VanDerWaalsContact O-N 3.15Å; L550-E556 HydrophobicContact CD2-CB 4.31Å; L550-E556 WeakPolarHBondContact CD2-OE2 3.4Å; L550-E556 PolarHBondContact O-N 2.98Å; L550-K559 HydrophobicContact CD1-CB 3.95Å; L550-A560 HydrophobicContact CB-CB 3.97Å; L550-F563 HydrophobicContact CD1-CD2 3.41Å; L550-F563 VanDerWaalsContact CD1-CD2 3.41Å; L550-F563 HydrophobicContact CD1-CE2 3.75Å; L550-F563 HydrophobicContact CD1-CG 4.43Å
551	K	92.2	Very high	93.4	Very high	23 Å²	23	37.1 Å²	37.1	10%	0.1	18%	0.179	C	C	.	.	H	α-helix	trans	-71.2	-52	174	-167.1	-85.8	170.3	-162	0	112.1	G547 Y548 I549 A560 M564 H583 D586 A587	G547-K551 PolarHBondContact O-N 3.45Å; Y548-K551 WeakPolarHBondContact O-CB 3.4Å; Y548-K551 PolarHBondContact O-N 3.09Å; Y548-K551 VanDerWaalsContact O-N 3.08Å; I549-K551 PolarHBondContact O-N 3.34Å; K551-A560 HydrophobicContact CB-CB 3.84Å; K551-M564 HydrophobicContact CB-CE 4.21Å; K551-M564 HydrophobicContact CG-CE 4.47Å; K551-H583 HydrophobicContact CD-CB 4.32Å; K551-H583 HydrophobicContact CG-CB 4.47Å; K551-D586 WeakPolarHBondContact CE-OD2 3.37Å; K551-D586 IonicContact NZ-OD2 3.91Å; K551-D586 PolarHBondContact NZ-OD2 3.18Å; K551-A587 HydrophobicContact CG-CB 4.19Å
552	T	88.3	Confident	93.3	Very high	55 Å²	55	36.3 Å²	36.3	34%	0.337	18%	0.175	S	C	.	.	H	α-helix	trans	-93.5	-15.4	-163	55.5	0	0	0	0	115.3	Y548 I549	Y548-T552 HydrophobicContact CD2-CG2 3.99Å; Y548-T552 HydrophobicContact CE2-CG2 3.55Å; Y548-T552 PolarHBondContact O-N 3.43Å; Y548-T552 PolarHBondContact O-OG1 3.04Å; Y548-T552 VanDerWaalsContact O-OG1 3.04Å; I549-T552 PolarHBondContact O-N 3.08Å
553	V	88.1	Confident	93.3	Very high	56 Å²	56	36.5 Å²	36.5	34%	0.339	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-39.7	-174.5	-174.6	0	0	0	0	112	Y522 I549	Y522-V553 HydrophobicContact CD1-CG2 3.82Å; Y522-V553 HydrophobicContact CD2-CB 4.39Å; Y522-V553 HydrophobicContact CD2-CG1 3.71Å; Y522-V553 HydrophobicContact CD2-CG2 3.73Å; Y522-V553 HydrophobicContact CE1-CG2 4.09Å; Y522-V553 HydrophobicContact CE2-CG1 4.42Å; Y522-V553 HydrophobicContact CE2-CG2 3.99Å; Y522-V553 HydrophobicContact CG-CB 4.4Å; Y522-V553 HydrophobicContact CG-CG1 4.02Å; Y522-V553 HydrophobicContact CG-CG2 3.64Å; I549-V553 HydrophobicContact CG2-CB 3.91Å; I549-V553 HydrophobicContact CG2-CG2 3.94Å; I549-V553 WeakPolarHBondContact O-CB 3.41Å; I549-V553 PolarHBondContact O-N 3.44Å
554	D	89.1	Confident	93.2	Very high	53 Å²	53	36.5 Å²	36.5	28%	0.283	18%	0.176	S	C	.	.	S	Bend	trans	-98.7	-6.4	-176.2	-57.5	0.8	0	0	0	112.5	K526 I549 L550 E556	K526-D554 WeakPolarHBondContact CD-OD2 3.45Å; K526-D554 IonicContact NZ-OD1 2.91Å; K526-D554 PolarHBondContact NZ-OD1 3.36Å; K526-D554 IonicContact NZ-OD2 2.67Å; K526-D554 PolarHBondContact NZ-OD2 3.02Å; I549-D554 PolarHBondContact O-N 3.45Å; L550-D554 HydrophobicContact CD2-CB 4.33Å; D554-E556 HydrophobicContact CB-CG 4.07Å; D554-E556 WeakPolarHBondContact O-CG 3.45Å; D554-E556 PolarHBondContact O-N 3.21Å
555	E	88.7	Confident	93.2	Very high	149 Å²	149	36.5 Å²	36.5	70%	0.696	18%	0.176	S	C	*	.			trans	52.7	19.6	-176.3	-57.3	-168.5	149.7	0	0	115.4	L550 H557	L550-E555 CarbonylContact O-C 3.57Å; L550-E555 PolarHBondContact O-N 3.02Å; L550-E555 VanDerWaalsContact O-N 3.15Å; E555-H557 PolarHBondContact O-CE1 2.92Å; E555-H557 PolarHBondContact O-N 3.25Å; E555-H557 PolarHBondContact O-ND1 3.39Å
556	E	92.7	Very high	93.1	Very high	72 Å²	72	39.5 Å²	39.5	34%	0.336	19%	0.188	S	C	.	.			trans	-83.3	59.8	-177.6	-60.7	-159.7	129.7	0	0	112.2	L550 D554 E558 K559 A560	L550-E556 HydrophobicContact CD2-CB 4.31Å; L550-E556 WeakPolarHBondContact CD2-OE2 3.4Å; L550-E556 PolarHBondContact O-N 2.98Å; D554-E556 HydrophobicContact CB-CG 4.07Å; D554-E556 WeakPolarHBondContact O-CG 3.45Å; D554-E556 PolarHBondContact O-N 3.21Å; E556-E558 VanDerWaalsContact C-N 3.3Å; E556-E558 PolarHBondContact O-N 2.91Å; E556-E558 VanDerWaalsContact O-N 3.12Å; E556-K559 HydrophobicContact CB-CB 4.4Å; E556-K559 HydrophobicContact CB-CD 4.49Å; E556-K559 HydrophobicContact CB-CG 4.5Å; E556-K559 PolarHBondContact O-N 3.47Å; E556-K559 WeakPolarHBondContact OE1-CE 3.38Å; E556-K559 IonicContact OE1-NZ 2.7Å; E556-K559 PolarHBondContact OE1-NZ 2.72Å; E556-K559 VanDerWaalsContact OE2-CD 3.3Å; E556-K559 WeakPolarHBondContact OE2-CD 3.39Å; E556-K559 VanDerWaalsContact OE2-CE 3.26Å; E556-K559 WeakPolarHBondContact OE2-CE 3.31Å; E556-K559 IonicContact OE2-NZ 2.73Å; E556-K559 PolarHBondContact OE2-NZ 2.73Å; E556-A560 PolarHBondContact O-N 3.1Å
557	H	93	Very high	93	Very high	33 Å²	33	38 Å²	38	15%	0.153	18%	0.182	C	C	.	.	H	α-helix	trans	-45.4	-44.3	-173.8	-64.8	87.3	0	0	0	114.5	E555 A560 I561 A587 R590 L591	E555-H557 PolarHBondContact O-CE1 2.92Å; E555-H557 PolarHBondContact O-N 3.25Å; E555-H557 PolarHBondContact O-ND1 3.39Å; H557-A560 WeakPolarHBondContact O-CB 3.44Å; H557-A560 PolarHBondContact O-N 2.99Å; H557-I561 WeakPolarHBondContact O-CD1 3.48Å; H557-I561 VanDerWaalsContact O-CG1 3.27Å; H557-I561 WeakPolarHBondContact O-CG1 3.45Å; H557-I561 PolarHBondContact O-N 3.11Å; H557-A587 HydrophobicContact CB-CB 4.5Å; H557-R590 VanDerWaalsContact NE2-CD 3.33Å; H557-R590 WeakPolarHBondContact NE2-CD 3.36Å; H557-L591 HydrophobicContact CB-CD1 4.15Å; H557-L591 HydrophobicContact CB-CD2 4.09Å; H557-L591 HydrophobicContact CB-CG 4.06Å
558	E	93.7	Very high	92.9	Very high	140 Å²	140	38 Å²	38	65%	0.654	18%	0.182	S	C	*	.	H	α-helix	trans	-61.7	-45.8	178.4	-70	-174	157.5	0	0	113.1	E556 I561 H562 L591	E556-E558 VanDerWaalsContact C-N 3.3Å; E556-E558 PolarHBondContact O-N 2.91Å; E556-E558 VanDerWaalsContact O-N 3.12Å; E558-I561 PolarHBondContact O-N 3.43Å; E558-H562 PolarHBondContact O-N 2.89Å; E558-L591 HydrophobicContact CB-CD1 4.42Å; E558-L591 HydrophobicContact CG-CD1 3.6Å
559	K	93.5	Very high	92.9	Very high	77 Å²	77	39.1 Å²	39.1	34%	0.335	19%	0.194	S	C	.	.	H	α-helix	trans	-70.7	-40.7	178.8	-55.9	-171.8	-149.7	160.8	0	110	L351 L550 E556 I561 H562 F563	L351-K559 HydrophobicContact CD2-CG 4.09Å; L550-K559 HydrophobicContact CD1-CB 3.95Å; E556-K559 HydrophobicContact CB-CB 4.4Å; E556-K559 HydrophobicContact CB-CD 4.49Å; E556-K559 HydrophobicContact CB-CG 4.5Å; E556-K559 PolarHBondContact O-N 3.47Å; E556-K559 WeakPolarHBondContact OE1-CE 3.38Å; E556-K559 IonicContact OE1-NZ 2.7Å; E556-K559 PolarHBondContact OE1-NZ 2.72Å; E556-K559 VanDerWaalsContact OE2-CD 3.3Å; E556-K559 WeakPolarHBondContact OE2-CD 3.39Å; E556-K559 VanDerWaalsContact OE2-CE 3.26Å; E556-K559 WeakPolarHBondContact OE2-CE 3.31Å; E556-K559 IonicContact OE2-NZ 2.73Å; E556-K559 PolarHBondContact OE2-NZ 2.73Å; K559-I561 VanDerWaalsContact C-N 3.27Å; K559-I561 PolarHBondContact O-N 3.06Å; K559-H562 WeakPolarHBondContact O-CB 3.34Å; K559-H562 PolarHBondContact O-N 3.19Å; K559-H562 VanDerWaalsContact O-N 3.13Å; K559-F563 HydrophobicContact CB-CD2 4.38Å; K559-F563 HydrophobicContact CB-CE2 4.31Å; K559-F563 WeakPolarHBondContact O-CD2 3.41Å; K559-F563 PolarHBondContact O-N 2.74Å
560	A	94.5	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-54.5	-42.9	175.3	0	0	0	0	0	112.1	G547 L550 K551 E556 H557 M564	G547-A560 VanDerWaalsContact O-CB 3.28Å; G547-A560 WeakPolarHBondContact O-CB 3.47Å; L550-A560 HydrophobicContact CB-CB 3.97Å; K551-A560 HydrophobicContact CB-CB 3.84Å; E556-A560 PolarHBondContact O-N 3.1Å; H557-A560 WeakPolarHBondContact O-CB 3.44Å; H557-A560 PolarHBondContact O-N 2.99Å; A560-M564 HydrophobicContact CB-CE 4.11Å; A560-M564 WeakPolarHBondContact O-CB 3.17Å; A560-M564 WeakPolarHBondContact O-CG 3.34Å; A560-M564 PolarHBondContact O-N 3.13Å
561	I	95.5	Very high	92.6	Very high	6 Å²	6	43 Å²	43	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-52.6	173.2	-70.5	157.4	0	0	0	111.3	M359 H557 E558 K559 F563 M564 A565 L584 A587 L588 L591	M359-I561 HydrophobicContact CE-CG2 4.31Å; H557-I561 WeakPolarHBondContact O-CD1 3.48Å; H557-I561 VanDerWaalsContact O-CG1 3.27Å; H557-I561 WeakPolarHBondContact O-CG1 3.45Å; H557-I561 PolarHBondContact O-N 3.11Å; E558-I561 PolarHBondContact O-N 3.43Å; K559-I561 VanDerWaalsContact C-N 3.27Å; K559-I561 PolarHBondContact O-N 3.06Å; I561-F563 VanDerWaalsContact C-N 3.31Å; I561-F563 PolarHBondContact O-N 2.84Å; I561-M564 PolarHBondContact O-N 2.73Å; I561-A565 WeakPolarHBondContact O-CB 3.3Å; I561-A565 PolarHBondContact O-N 2.94Å; I561-L584 HydrophobicContact CB-CD1 3.99Å; I561-L584 HydrophobicContact CG1-CD1 3.88Å; I561-L584 HydrophobicContact CG2-CD1 3.98Å; I561-A587 HydrophobicContact CD1-CB 4.2Å; I561-A587 HydrophobicContact CG1-CB 3.86Å; I561-L588 HydrophobicContact CD1-CD2 3.86Å; I561-L588 HydrophobicContact CD1-CG 4.12Å; I561-L588 HydrophobicContact CG1-CD2 4.21Å; I561-L588 HydrophobicContact CG1-CG 4.17Å; I561-L588 HydrophobicContact CG2-CD2 4.09Å; I561-L591 HydrophobicContact CD1-CD1 3.54Å; I561-L591 HydrophobicContact CD1-CG 4.44Å
562	H	93.1	Very high	92.4	Very high	25 Å²	25	42.3 Å²	42.3	12%	0.116	21%	0.214	C	C	.	.	H	α-helix	trans	-54.4	-45.2	-180	177.5	92.9	0	0	0	112.3	E558 K559 R566	E558-H562 PolarHBondContact O-N 2.89Å; K559-H562 WeakPolarHBondContact O-CB 3.34Å; K559-H562 PolarHBondContact O-N 3.19Å; K559-H562 VanDerWaalsContact O-N 3.13Å; H562-R566 WeakPolarHBondContact O-CB 3.42Å; H562-R566 PolarHBondContact O-N 3.22Å
563	F	94.7	Very high	92.2	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.022	21%	0.208	C	C	.	.	H	α-helix	trans	-73.7	-47.2	-179.9	-72	-68.1	0	0	0	113.1	M347 L543 Y546 L550 K559 I561 G567	M347-F563 HydrophobicContact CE-CE1 3.71Å; M347-F563 HydrophobicContact CE-CZ 3.67Å; M347-F563 HydrophobicContact SD-CE1 4.49Å; M347-F563 HydrophobicContact SD-CZ 3.85Å; L543-F563 HydrophobicContact CD2-CD1 3.74Å; L543-F563 HydrophobicContact CD2-CE1 4.36Å; Y546-F563 HydrophobicContact CD1-CD1 4.03Å; Y546-F563 AromaticContact CD1-CD2 3.85Å; Y546-F563 HydrophobicContact CD1-CD2 3.85Å; Y546-F563 HydrophobicContact CD1-CE1 4.08Å; Y546-F563 AromaticContact CD1-CE2 3.92Å; Y546-F563 HydrophobicContact CD1-CE2 3.92Å; Y546-F563 AromaticContact CD1-CG 3.93Å; Y546-F563 HydrophobicContact CD1-CG 3.93Å; Y546-F563 HydrophobicContact CD1-CZ 4.04Å; Y546-F563 AromaticContact CE1-CD2 3.94Å; Y546-F563 HydrophobicContact CE1-CD2 3.94Å; Y546-F563 HydrophobicContact CE1-CE1 4.23Å; Y546-F563 AromaticContact CE1-CE2 3.59Å; Y546-F563 HydrophobicContact CE1-CE2 3.59Å; Y546-F563 HydrophobicContact CE1-CG 4.44Å; Y546-F563 AromaticContact CE1-CZ 3.75Å; Y546-F563 HydrophobicContact CE1-CZ 3.75Å; L550-F563 HydrophobicContact CD1-CD2 3.41Å; L550-F563 VanDerWaalsContact CD1-CD2 3.41Å; L550-F563 HydrophobicContact CD1-CE2 3.75Å; L550-F563 HydrophobicContact CD1-CG 4.43Å; K559-F563 HydrophobicContact CB-CD2 4.38Å; K559-F563 HydrophobicContact CB-CE2 4.31Å; K559-F563 WeakPolarHBondContact O-CD2 3.41Å; K559-F563 PolarHBondContact O-N 2.74Å; I561-F563 VanDerWaalsContact C-N 3.31Å; I561-F563 PolarHBondContact O-N 2.84Å; F563-G567 PolarHBondContact O-N 3.31Å
564	M	95.3	Very high	91.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-42.4	-178.3	-73.4	-170.6	-71.3	0	0	112.6	K551 A560 I561 G567 L568 F580 H583 L584	K551-M564 HydrophobicContact CB-CE 4.21Å; K551-M564 HydrophobicContact CG-CE 4.47Å; A560-M564 HydrophobicContact CB-CE 4.11Å; A560-M564 WeakPolarHBondContact O-CB 3.17Å; A560-M564 WeakPolarHBondContact O-CG 3.34Å; A560-M564 PolarHBondContact O-N 3.13Å; I561-M564 PolarHBondContact O-N 2.73Å; M564-G567 PolarHBondContact O-N 3.42Å; M564-L568 WeakPolarHBondContact O-CG 3.48Å; M564-L568 PolarHBondContact O-N 2.73Å; M564-F580 HydrophobicContact SD-CD1 4.42Å; M564-H583 HydrophobicContact CE-CB 4.28Å; M564-H583 HydrophobicContact SD-CB 4.2Å; M564-L584 HydrophobicContact CB-CB 4.31Å; M564-L584 HydrophobicContact CB-CD1 4.18Å; M564-L584 HydrophobicContact CE-CB 4.18Å
565	A	94.8	Very high	91.3	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-44	178.9	0	0	0	0	0	111.7	L357 M359 I561 G567 L568 A569 L584	L357-A565 HydrophobicContact CD2-CB 3.51Å; M359-A565 HydrophobicContact SD-CB 4.08Å; I561-A565 WeakPolarHBondContact O-CB 3.3Å; I561-A565 PolarHBondContact O-N 2.94Å; A565-G567 VanDerWaalsContact C-N 3.31Å; A565-G567 PolarHBondContact O-N 2.91Å; A565-L568 PolarHBondContact O-N 3.45Å; A565-A569 WeakPolarHBondContact O-CB 3.4Å; A565-A569 PolarHBondContact O-N 2.88Å; A565-L584 HydrophobicContact CB-CD1 4.33Å; A565-L584 HydrophobicContact CB-CD2 4.03Å
566	R	94.3	Very high	90.9	Very high	83 Å²	83	41.7 Å²	41.7	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-60.5	-40.7	173.2	-171.1	-178.1	176.2	-158.6	-5.7	111.7	S537 L543 H562 A569 L570	S537-R566 PolarHBondContact O-NH1 3.02Å; S537-R566 VanDerWaalsContact O-NH1 3.15Å; S537-R566 PolarHBondContact O-NH2 3.35Å; S537-R566 PolarHBondContact OG-NH2 2.79Å; L543-R566 HydrophobicContact CD1-CB 4.38Å; L543-R566 HydrophobicContact CD1-CG 3.95Å; H562-R566 WeakPolarHBondContact O-CB 3.42Å; H562-R566 PolarHBondContact O-N 3.22Å; R566-A569 PolarHBondContact O-N 3.44Å; R566-L570 HydrophobicContact CG-CD1 4.12Å; R566-L570 WeakPolarHBondContact O-CD1 3.34Å; R566-L570 WeakPolarHBondContact O-CG 3.19Å; R566-L570 PolarHBondContact O-N 2.88Å
567	G	93.9	Very high	90.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.6	-43.4	176.5	0	0	0	0	0	113.7	F563 M564 A565 L570	F563-G567 PolarHBondContact O-N 3.31Å; M564-G567 PolarHBondContact O-N 3.42Å; A565-G567 VanDerWaalsContact C-N 3.31Å; A565-G567 PolarHBondContact O-N 2.91Å; G567-L570 PolarHBondContact O-N 3.31Å
568	L	94.6	Very high	90.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-38.7	176.6	-71	178.5	0	0	0	112.3	I361 T362 L544 M564 A565 L570 V572 F580 V581 L584 L600	I361-L568 HydrophobicContact CG1-CD1 4.36Å; T362-L568 PolarHBondContact N-O 2.92Å; L544-L568 HydrophobicContact CD2-CD2 3.82Å; L544-L568 HydrophobicContact CD2-CG 3.83Å; M564-L568 WeakPolarHBondContact O-CG 3.48Å; M564-L568 PolarHBondContact O-N 2.73Å; A565-L568 PolarHBondContact O-N 3.45Å; L568-L570 VanDerWaalsContact C-N 3.3Å; L568-L570 PolarHBondContact O-N 2.88Å; L568-V572 HydrophobicContact CD2-CG1 3.71Å; L568-F580 HydrophobicContact CD2-CB 4.16Å; L568-V581 HydrophobicContact CD1-CG2 3.89Å; L568-V581 HydrophobicContact CD2-CG2 4.26Å; L568-L584 HydrophobicContact CD1-CD2 3.63Å; L568-L600 HydrophobicContact CD1-CD1 4.32Å
569	A	93.6	Very high	90.3	Very high	39 Å²	39	31.8 Å²	31.8	32%	0.322	15%	0.151	S	C	.	.	H	α-helix	trans	-67.4	-29.1	178.7	0	0	0	0	0	113.2	K360 T362 A565 R566	K360-A569 WeakPolarHBondContact O-CA 3.42Å; K360-A569 PolarHBondContact O-N 3.42Å; T362-A569 WeakPolarHBondContact CB-O 3.47Å; T362-A569 PolarHBondContact OG1-O 2.92Å; A565-A569 WeakPolarHBondContact O-CB 3.4Å; A565-A569 PolarHBondContact O-N 2.88Å; R566-A569 PolarHBondContact O-N 3.44Å
570	L	93	Very high	90.3	Very high	75 Å²	75	28.3 Å²	28.3	39%	0.393	14%	0.136	S	C	.	.	H	α-helix	trans	-77.8	-26.7	-179.5	-78.7	161.9	0	0	0	114.2	T538 A540 L543 R566 G567 L568	T538-L570 HydrophobicContact CG2-CD2 4.36Å; A540-L570 HydrophobicContact CB-CB 3.91Å; L543-L570 HydrophobicContact CD1-CD1 3.37Å; R566-L570 HydrophobicContact CG-CD1 4.12Å; R566-L570 WeakPolarHBondContact O-CD1 3.34Å; R566-L570 WeakPolarHBondContact O-CG 3.19Å; R566-L570 PolarHBondContact O-N 2.88Å; G567-L570 PolarHBondContact O-N 3.31Å; L568-L570 VanDerWaalsContact C-N 3.3Å; L568-L570 PolarHBondContact O-N 2.88Å
571	G	88.3	Confident	90.3	Very high	7 Å²	7	28.3 Å²	28.3	7%	0.072	14%	0.136	C	C	.	.			trans	131.6	123.8	177.2	0	0	0	0	0	114.2	T362	T362-G571 CarbonylContact O-C 3.6Å; T362-G571 VanDerWaalsContact O-CA 3.29Å; T362-G571 WeakPolarHBondContact O-CA 3.25Å
572	V	87.2	Confident	90.1	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.055	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.9	175.1	61.2	0	0	0	0	111.6	T362 V363 L364 L544 L568 R576 A577	T362-V572 PolarHBondContact O-N 3.1Å; V363-V572 WeakPolarHBondContact CA-O 3.3Å; L364-V572 PolarHBondContact N-O 3.47Å; L544-V572 HydrophobicContact CD1-CB 4.04Å; L544-V572 HydrophobicContact CD1-CG2 3.88Å; L568-V572 HydrophobicContact CD2-CG1 3.71Å; V572-R576 HydrophobicContact CG2-CB 3.78Å; V572-A577 HydrophobicContact CG1-CB 3.63Å; V572-A577 HydrophobicContact CG2-CB 4.42Å
573	Q	83.6	Confident	90.1	Very high	43 Å²	43	29.8 Å²	29.8	20%	0.201	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	141.4	173.4	-65.9	177.9	-40.2	0	0	111	K575 R576 A577	Q573-K575 PolarHBondContact O-N 3.49Å; Q573-R576 HydrophobicContact CB-CG 4.36Å; Q573-R576 WeakPolarHBondContact O-CA 3.44Å; Q573-R576 WeakPolarHBondContact O-CB 3.34Å; Q573-R576 PolarHBondContact O-N 3.21Å; Q573-R576 VanDerWaalsContact OE1-NE 3.11Å; Q573-A577 PolarHBondContact O-N 3.17Å
574	I	82.6	Confident	90.1	Very high	51 Å²	51	29.6 Å²	29.6	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-51.7	-49.3	-175.7	-162.6	176.4	0	0	0	113.4	V363 E366 R576 A577 H607 I609	V363-I574 HydrophobicContact CG1-CB 4.01Å; E366-I574 HydrophobicContact CG-CG2 4.15Å; E366-I574 WeakPolarHBondContact OE1-CG2 3.39Å; I574-R576 PolarHBondContact O-N 2.94Å; I574-R576 VanDerWaalsContact O-N 3.08Å; I574-A577 WeakPolarHBondContact O-CB 3.39Å; I574-A577 PolarHBondContact O-N 2.91Å; I574-A577 VanDerWaalsContact O-N 3.13Å; I574-H607 VanDerWaalsContact CD1-O 3.28Å; I574-H607 WeakPolarHBondContact CD1-O 3.4Å; I574-I609 HydrophobicContact CD1-CG1 4.49Å; I574-I609 HydrophobicContact CG1-CG1 3.73Å
575	K	76.2	Confident	90.1	Very high	99 Å²	99	29.6 Å²	29.6	43%	0.43	14%	0.144	S	C	.	.	H	α-helix	trans	-52.9	-28.3	173.8	-76.9	167.1	-176.5	155.5	0	114.7	E366 Q573	E366-K575 VanDerWaalsContact CD-NZ 3.33Å; E366-K575 WeakPolarHBondContact OE1-CD 3.21Å; E366-K575 WeakPolarHBondContact OE1-CE 3.44Å; E366-K575 WeakPolarHBondContact OE1-CG 3.43Å; E366-K575 IonicContact OE1-NZ 2.73Å; E366-K575 PolarHBondContact OE1-NZ 3.38Å; E366-K575 VanDerWaalsContact OE2-CE 3.29Å; E366-K575 WeakPolarHBondContact OE2-CE 3.37Å; E366-K575 IonicContact OE2-NZ 3.01Å; E366-K575 PolarHBondContact OE2-NZ 2.97Å; Q573-K575 PolarHBondContact O-N 3.49Å
576	R	81.4	Confident	90	Very high	106 Å²	106	30.6 Å²	30.6	40%	0.4	15%	0.149	S	C	.	.	H	α-helix	trans	-94.8	-33.6	-179.2	-62.4	178.6	176.7	-137.2	-0.4	111.7	E541 V572 Q573 I574 A578 F580	E541-R576 IonicContact OE1-CZ 3.26Å; E541-R576 IonicContact OE1-NH1 2.68Å; E541-R576 PolarHBondContact OE1-NH1 3.46Å; V572-R576 HydrophobicContact CG2-CB 3.78Å; Q573-R576 HydrophobicContact CB-CG 4.36Å; Q573-R576 WeakPolarHBondContact O-CA 3.44Å; Q573-R576 WeakPolarHBondContact O-CB 3.34Å; Q573-R576 PolarHBondContact O-N 3.21Å; Q573-R576 VanDerWaalsContact OE1-NE 3.11Å; I574-R576 PolarHBondContact O-N 2.94Å; I574-R576 VanDerWaalsContact O-N 3.08Å; R576-A578 PolarHBondContact O-N 3.33Å; R576-F580 VanDerWaalsContact O-CD2 3.24Å; R576-F580 WeakPolarHBondContact O-CD2 3.3Å
577	A	87	Confident	90	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.3	-45.7	-176.2	0	0	0	0	0	112.6	V572 Q573 I574 R579 F580 V581 I609	V572-A577 HydrophobicContact CG1-CB 3.63Å; V572-A577 HydrophobicContact CG2-CB 4.42Å; Q573-A577 PolarHBondContact O-N 3.17Å; I574-A577 WeakPolarHBondContact O-CB 3.39Å; I574-A577 PolarHBondContact O-N 2.91Å; I574-A577 VanDerWaalsContact O-N 3.13Å; A577-R579 VanDerWaalsContact C-N 3.34Å; A577-R579 PolarHBondContact O-N 3.18Å; A577-F580 PolarHBondContact O-N 3.45Å; A577-V581 WeakPolarHBondContact O-CG2 3.26Å; A577-V581 PolarHBondContact O-N 2.87Å; A577-I609 HydrophobicContact CB-CD1 3.67Å; A577-I609 HydrophobicContact CB-CG1 4.18Å; A577-I609 HydrophobicContact CB-CG2 4.5Å
578	A	88.5	Confident	90	Very high	9 Å²	9	26.7 Å²	26.7	7%	0.074	13%	0.134	C	C	.	.	H	α-helix	trans	-48.5	-48.9	-172.9	0	0	0	0	0	114	R576 F580 V581 V582 I609 F610 M618	R576-A578 PolarHBondContact O-N 3.33Å; A578-F580 PolarHBondContact O-N 3.3Å; A578-V581 PolarHBondContact O-N 2.73Å; A578-V582 WeakPolarHBondContact O-CG2 3.4Å; A578-V582 PolarHBondContact O-N 2.96Å; A578-I609 VanDerWaalsContact CA-CG2 3.45Å; A578-I609 HydrophobicContact CB-CG2 3.68Å; A578-F610 HydrophobicContact CB-CE1 4.22Å; A578-M618 HydrophobicContact CB-CG 3.82Å; A578-M618 HydrophobicContact CB-SD 3.78Å
579	R	89.7	Confident	89.9	Confident	28 Å²	28	28.8 Å²	28.8	11%	0.106	14%	0.143	C	C	.	.	H	α-helix	trans	-56.4	-48.4	177.5	173.2	179.1	-85.7	-156.6	-15.2	111.8	D71 A577 V582 H583 M618	D71-R579 IonicContact OD1-NH2 2.8Å; D71-R579 PolarHBondContact OD1-NH2 3.45Å; A577-R579 VanDerWaalsContact C-N 3.34Å; A577-R579 PolarHBondContact O-N 3.18Å; R579-V582 PolarHBondContact O-N 3.43Å; R579-H583 PolarHBondContact O-CD2 3.18Å; R579-H583 PolarHBondContact O-N 2.98Å; R579-H583 VanDerWaalsContact O-N 3.15Å; R579-M618 HydrophobicContact CB-SD 4.34Å
580	F	93.8	Very high	89.8	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-72.4	-33.6	-176.9	-58.4	-67.7	0	0	0	112.3	L544 Y545 M564 L568 R576 A577 A578 H583 L584	L544-F580 HydrophobicContact CB-CD1 3.87Å; L544-F580 HydrophobicContact CB-CD2 4.14Å; L544-F580 HydrophobicContact CB-CE1 3.74Å; L544-F580 HydrophobicContact CB-CE2 4.01Å; L544-F580 HydrophobicContact CB-CG 4.07Å; L544-F580 HydrophobicContact CB-CZ 3.81Å; L544-F580 HydrophobicContact CD1-CD2 3.99Å; L544-F580 HydrophobicContact CD1-CE2 4.09Å; L544-F580 HydrophobicContact CD2-CB 3.8Å; L544-F580 HydrophobicContact CD2-CD1 4.22Å; L544-F580 HydrophobicContact CD2-CD2 4.06Å; L544-F580 HydrophobicContact CD2-CG 3.77Å; L544-F580 HydrophobicContact CG-CD2 4.29Å; L544-F580 HydrophobicContact CG-CE2 4.5Å; L544-F580 HydrophobicContact CG-CG 4.33Å; L544-F580 WeakPolarHBondContact O-CE1 3.45Å; Y545-F580 HydrophobicContact CD1-CE1 4.11Å; Y545-F580 AromaticContact CD1-CZ 4Å; Y545-F580 HydrophobicContact CD1-CZ 4Å; Y545-F580 HydrophobicContact CD2-CZ 4.09Å; Y545-F580 HydrophobicContact CE1-CE1 4.3Å; Y545-F580 AromaticContact CE1-CZ 3.84Å; Y545-F580 HydrophobicContact CE1-CZ 3.84Å; Y545-F580 AromaticContact CE2-CZ 3.93Å; Y545-F580 HydrophobicContact CE2-CZ 3.93Å; Y545-F580 HydrophobicContact CG-CE1 4.33Å; Y545-F580 HydrophobicContact CG-CZ 4.13Å; Y545-F580 AromaticContact CZ-CZ 3.81Å; M564-F580 HydrophobicContact SD-CD1 4.42Å; L568-F580 HydrophobicContact CD2-CB 4.16Å; R576-F580 VanDerWaalsContact O-CD2 3.24Å; R576-F580 WeakPolarHBondContact O-CD2 3.3Å; A577-F580 PolarHBondContact O-N 3.45Å; A578-F580 PolarHBondContact O-N 3.3Å; F580-H583 PolarHBondContact O-N 3.4Å; F580-L584 WeakPolarHBondContact O-CB 3.48Å; F580-L584 PolarHBondContact O-N 3.5Å
581	V	94.9	Very high	89.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-45	172.5	177.9	0	0	0	0	111	I361 L568 A577 A578 H583 L584 G585 L600 Y601 A604 F610	I361-V581 HydrophobicContact CD1-CG2 3.69Å; L568-V581 HydrophobicContact CD1-CG2 3.89Å; L568-V581 HydrophobicContact CD2-CG2 4.26Å; A577-V581 WeakPolarHBondContact O-CG2 3.26Å; A577-V581 PolarHBondContact O-N 2.87Å; A578-V581 PolarHBondContact O-N 2.73Å; V581-H583 PolarHBondContact O-N 3.15Å; V581-L584 PolarHBondContact O-N 3.48Å; V581-G585 PolarHBondContact O-N 2.97Å; V581-L600 HydrophobicContact CG1-CD1 4.4Å; V581-L600 HydrophobicContact CG1-CD2 4.32Å; V581-L600 HydrophobicContact CG1-CG 4.05Å; V581-Y601 HydrophobicContact CG1-CD1 4.13Å; V581-Y601 HydrophobicContact CG1-CE1 4.44Å; V581-A604 HydrophobicContact CG1-CB 3.67Å; V581-A604 HydrophobicContact CG2-CB 4.41Å; V581-F610 HydrophobicContact CB-CE2 4.22Å; V581-F610 HydrophobicContact CB-CZ 3.95Å; V581-F610 HydrophobicContact CG1-CE2 3.42Å; V581-F610 VanDerWaalsContact CG1-CE2 3.42Å; V581-F610 HydrophobicContact CG1-CZ 3.66Å
582	V	92.1	Very high	90	Very high	36 Å²	36	35.4 Å²	35.4	22%	0.218	17%	0.166	C	C	.	.	H	α-helix	trans	-57.8	-50.3	175.6	172.2	0	0	0	0	110.9	A578 R579 G585 D586 F610	A578-V582 WeakPolarHBondContact O-CG2 3.4Å; A578-V582 PolarHBondContact O-N 2.96Å; R579-V582 PolarHBondContact O-N 3.43Å; V582-G585 PolarHBondContact O-N 3.31Å; V582-D586 WeakPolarHBondContact O-CB 3.36Å; V582-D586 PolarHBondContact O-N 3.11Å; V582-F610 HydrophobicContact CG2-CE1 3.86Å; V582-F610 HydrophobicContact CG2-CZ 3.62Å
583	H	92.6	Very high	90.4	Very high	26 Å²	26	38.5 Å²	38.5	12%	0.12	18%	0.177	C	C	.	.	H	α-helix	trans	-73.1	-28.5	-177.1	-61.6	-52	0	0	0	113.9	Y548 K551 M564 R579 F580 V581 A587	Y548-H583 AromaticContact CD2-CD2 3.5Å; Y548-H583 AromaticContact CE2-CD2 3.46Å; Y548-H583 VanDerWaalsContact CE2-CD2 3.46Å; Y548-H583 WeakPolarHBondContact CE2-CD2 3.47Å; Y548-H583 AromaticContact CE2-NE2 3.49Å; Y548-H583 WeakPolarHBondContact CE2-NE2 3.19Å; K551-H583 HydrophobicContact CD-CB 4.32Å; K551-H583 HydrophobicContact CG-CB 4.47Å; M564-H583 HydrophobicContact CE-CB 4.28Å; M564-H583 HydrophobicContact SD-CB 4.2Å; R579-H583 PolarHBondContact O-CD2 3.18Å; R579-H583 PolarHBondContact O-N 2.98Å; R579-H583 VanDerWaalsContact O-N 3.15Å; F580-H583 PolarHBondContact O-N 3.4Å; V581-H583 PolarHBondContact O-N 3.15Å; H583-A587 VanDerWaalsContact O-CB 3.28Å; H583-A587 WeakPolarHBondContact O-CB 3.32Å; H583-A587 PolarHBondContact O-N 3.43Å
584	L	95.4	Very high	90.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-44.5	171.6	177.1	62.6	0	0	0	111.3	M359 I561 M564 A565 L568 F580 V581 A587 L588 L600	M359-L584 HydrophobicContact SD-CD2 4.4Å; I561-L584 HydrophobicContact CB-CD1 3.99Å; I561-L584 HydrophobicContact CG1-CD1 3.88Å; I561-L584 HydrophobicContact CG2-CD1 3.98Å; M564-L584 HydrophobicContact CB-CB 4.31Å; M564-L584 HydrophobicContact CB-CD1 4.18Å; M564-L584 HydrophobicContact CE-CB 4.18Å; A565-L584 HydrophobicContact CB-CD1 4.33Å; A565-L584 HydrophobicContact CB-CD2 4.03Å; L568-L584 HydrophobicContact CD1-CD2 3.63Å; F580-L584 WeakPolarHBondContact O-CB 3.48Å; F580-L584 PolarHBondContact O-N 3.5Å; V581-L584 PolarHBondContact O-N 3.48Å; L584-A587 PolarHBondContact O-N 2.77Å; L584-L588 HydrophobicContact CD1-CD1 4.41Å; L584-L588 HydrophobicContact CG-CD1 4.21Å; L584-L588 WeakPolarHBondContact O-CG 3.34Å; L584-L588 PolarHBondContact O-N 2.75Å; L584-L600 HydrophobicContact CB-CD2 3.92Å; L584-L600 HydrophobicContact CD2-CD1 3.92Å; L584-L600 HydrophobicContact CD2-CD2 3.63Å; L584-L600 HydrophobicContact CD2-CG 4.44Å; L584-L600 HydrophobicContact CG-CD2 3.57Å
585	G	94.6	Very high	91.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.4	-41.2	176.8	0	0	0	0	0	113.1	V581 V582 A587 L588 Y589 Y601	V581-G585 PolarHBondContact O-N 2.97Å; V582-G585 PolarHBondContact O-N 3.31Å; G585-A587 VanDerWaalsContact C-N 3.35Å; G585-L588 PolarHBondContact O-N 2.98Å; G585-Y589 WeakPolarHBondContact O-CB 3.49Å; G585-Y589 PolarHBondContact O-N 2.95Å; G585-Y601 VanDerWaalsContact C-OH 3.3Å; G585-Y601 WeakPolarHBondContact CA-OH 3.39Å
586	D	92.2	Very high	92.3	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.139	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-41.8	171.2	179.8	37.1	0	0	0	111.3	K551 V582 Y589 R590 Y601	K551-D586 WeakPolarHBondContact CE-OD2 3.37Å; K551-D586 IonicContact NZ-OD2 3.91Å; K551-D586 PolarHBondContact NZ-OD2 3.18Å; V582-D586 WeakPolarHBondContact O-CB 3.36Å; V582-D586 PolarHBondContact O-N 3.11Å; D586-Y589 PolarHBondContact O-N 3.02Å; D586-R590 VanDerWaalsContact O-CG 3.31Å; D586-R590 WeakPolarHBondContact O-CG 3.38Å; D586-R590 PolarHBondContact O-N 2.72Å; D586-R590 IonicContact OD1-CZ 3.83Å; D586-R590 IonicContact OD1-NE 3.21Å; D586-R590 PolarHBondContact OD1-NE 3.12Å; D586-R590 IonicContact OD1-NH2 3.94Å; D586-R590 PolarHBondContact OD1-NH2 2.96Å; D586-R590 IonicContact OD2-CZ 3.62Å; D586-R590 IonicContact OD2-NE 2.67Å; D586-R590 PolarHBondContact OD2-NE 3.28Å; D586-R590 IonicContact OD2-NH2 3.65Å; D586-R590 PolarHBondContact OD2-NH2 3.45Å; D586-Y601 PolarHBondContact N-OH 3.46Å
587	A	93.8	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-39.2	176	0	0	0	0	0	113.5	K551 H557 I561 H583 L584 G585 L591	K551-A587 HydrophobicContact CG-CB 4.19Å; H557-A587 HydrophobicContact CB-CB 4.5Å; I561-A587 HydrophobicContact CD1-CB 4.2Å; I561-A587 HydrophobicContact CG1-CB 3.86Å; H583-A587 VanDerWaalsContact O-CB 3.28Å; H583-A587 WeakPolarHBondContact O-CB 3.32Å; H583-A587 PolarHBondContact O-N 3.43Å; L584-A587 PolarHBondContact O-N 2.77Å; G585-A587 VanDerWaalsContact C-N 3.35Å; A587-L591 PolarHBondContact O-N 3.45Å
588	L	95.2	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-44.3	172	-74.1	163.8	0	0	0	111	M359 I561 L584 G585 R590 L591 N592 R593 E596 A597 L600	M359-L588 HydrophobicContact CE-CD1 4.01Å; M359-L588 HydrophobicContact CE-CD2 3.85Å; M359-L588 HydrophobicContact SD-CD1 4.11Å; I561-L588 HydrophobicContact CD1-CD2 3.86Å; I561-L588 HydrophobicContact CD1-CG 4.12Å; I561-L588 HydrophobicContact CG1-CD2 4.21Å; I561-L588 HydrophobicContact CG1-CG 4.17Å; I561-L588 HydrophobicContact CG2-CD2 4.09Å; L584-L588 HydrophobicContact CD1-CD1 4.41Å; L584-L588 HydrophobicContact CG-CD1 4.21Å; L584-L588 WeakPolarHBondContact O-CG 3.34Å; L584-L588 PolarHBondContact O-N 2.75Å; G585-L588 PolarHBondContact O-N 2.98Å; L588-R590 PolarHBondContact O-N 3.21Å; L588-L591 PolarHBondContact O-N 3.09Å; L588-N592 PolarHBondContact O-N 2.93Å; L588-R593 HydrophobicContact CB-CB 4.26Å; L588-R593 HydrophobicContact CD2-CB 3.95Å; L588-R593 WeakPolarHBondContact O-CA 3.28Å; L588-R593 WeakPolarHBondContact O-CB 3.46Å; L588-R593 PolarHBondContact O-N 2.9Å; L588-E596 HydrophobicContact CD1-CB 4.37Å; L588-E596 HydrophobicContact CD2-CB 4.26Å; L588-A597 HydrophobicContact CB-CB 3.74Å; L588-A597 HydrophobicContact CD1-CB 4.47Å; L588-L600 HydrophobicContact CD1-CD2 4.08Å
589	Y	92.8	Very high	93.7	Very high	46 Å²	46	41.2 Å²	41.2	18%	0.18	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-46.3	179.2	-160.3	-82.6	0	0	0	112.1	G585 D586 L591 N592 T594 W732 P733	G585-Y589 WeakPolarHBondContact O-CB 3.49Å; G585-Y589 PolarHBondContact O-N 2.95Å; D586-Y589 PolarHBondContact O-N 3.02Å; Y589-L591 PolarHBondContact O-N 3.48Å; Y589-N592 WeakPolarHBondContact O-CA 3.49Å; Y589-N592 PolarHBondContact O-N 2.93Å; Y589-T594 HydrophobicContact CD2-CG2 3.98Å; Y589-T594 HydrophobicContact CE2-CG2 3.78Å; Y589-W732 AromaticContact CD1-CE3 3.69Å; Y589-W732 HydrophobicContact CD1-CE3 3.69Å; Y589-W732 AromaticContact CD1-CZ3 3.8Å; Y589-W732 HydrophobicContact CD1-CZ3 3.8Å; Y589-W732 AromaticContact CE1-CE3 3.91Å; Y589-W732 HydrophobicContact CE1-CE3 3.91Å; Y589-W732 HydrophobicContact CE1-CZ3 4.01Å; Y589-P733 HydrophobicContact CE1-CG 3.83Å; Y589-P733 HydrophobicContact CE2-CG 4.2Å
590	R	90.4	Very high	94	Very high	58 Å²	58	40 Å²	40	22%	0.219	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-19.4	177.7	-69.6	176.8	-168	-124.8	0.7	114	H557 D586 L588 P671 W732	H557-R590 VanDerWaalsContact NE2-CD 3.33Å; H557-R590 WeakPolarHBondContact NE2-CD 3.36Å; D586-R590 VanDerWaalsContact O-CG 3.31Å; D586-R590 WeakPolarHBondContact O-CG 3.38Å; D586-R590 PolarHBondContact O-N 2.72Å; D586-R590 IonicContact OD1-CZ 3.83Å; D586-R590 IonicContact OD1-NE 3.21Å; D586-R590 PolarHBondContact OD1-NE 3.12Å; D586-R590 IonicContact OD1-NH2 3.94Å; D586-R590 PolarHBondContact OD1-NH2 2.96Å; D586-R590 IonicContact OD2-CZ 3.62Å; D586-R590 IonicContact OD2-NE 2.67Å; D586-R590 PolarHBondContact OD2-NE 3.28Å; D586-R590 IonicContact OD2-NH2 3.65Å; D586-R590 PolarHBondContact OD2-NH2 3.45Å; L588-R590 PolarHBondContact O-N 3.21Å; R590-P671 PolarHBondContact NH2-O 3.5Å; R590-W732 HydrophobicContact CB-CH2 4.37Å; R590-W732 HydrophobicContact CG-CD2 4.12Å; R590-W732 HydrophobicContact CG-CE3 4.22Å; R590-W732 HydrophobicContact CG-CH2 3.94Å; R590-W732 HydrophobicContact CG-CZ2 3.8Å; R590-W732 HydrophobicContact CG-CZ3 4.15Å; R590-W732 VanDerWaalsContact CZ-CD1 3.49Å
591	L	92.7	Very high	94.1	Very high	58 Å²	58	40.2 Å²	40.2	30%	0.304	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	14.4	171.2	-63.1	-175.4	0	0	0	113.6	H557 E558 I561 A587 L588 Y589 R593	H557-L591 HydrophobicContact CB-CD1 4.15Å; H557-L591 HydrophobicContact CB-CD2 4.09Å; H557-L591 HydrophobicContact CB-CG 4.06Å; E558-L591 HydrophobicContact CB-CD1 4.42Å; E558-L591 HydrophobicContact CG-CD1 3.6Å; I561-L591 HydrophobicContact CD1-CD1 3.54Å; I561-L591 HydrophobicContact CD1-CG 4.44Å; A587-L591 PolarHBondContact O-N 3.45Å; L588-L591 PolarHBondContact O-N 3.09Å; Y589-L591 PolarHBondContact O-N 3.48Å; L591-R593 HydrophobicContact CB-CG 4.38Å; L591-R593 PolarHBondContact O-N 3.36Å
592	N	93.8	Very high	94.1	Very high	143 Å²	143	42.8 Å²	42.8	77%	0.765	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	19.6	-174.2	-64.2	-78.6	0	0	0	114.8	L588 Y589 T594	L588-N592 PolarHBondContact O-N 2.93Å; Y589-N592 WeakPolarHBondContact O-CA 3.49Å; Y589-N592 PolarHBondContact O-N 2.93Å; N592-T594 PolarHBondContact O-N 3.11Å; N592-T594 VanDerWaalsContact O-N 3.1Å
593	R	94.6	Very high	94.2	Very high	75 Å²	75	42.5 Å²	42.5	28%	0.283	20%	0.202	S	C	.	.			trans	-88.1	55.1	175.3	-64.5	169.2	65.8	-179	-1.8	110	L588 L591 E595 E596 A597	L588-R593 HydrophobicContact CB-CB 4.26Å; L588-R593 HydrophobicContact CD2-CB 3.95Å; L588-R593 WeakPolarHBondContact O-CA 3.28Å; L588-R593 WeakPolarHBondContact O-CB 3.46Å; L588-R593 PolarHBondContact O-N 2.9Å; L591-R593 HydrophobicContact CB-CG 4.38Å; L591-R593 PolarHBondContact O-N 3.36Å; R593-E595 PolarHBondContact O-N 3.26Å; R593-E596 IonicContact CZ-OE1 3.36Å; R593-E596 IonicContact CZ-OE2 3.22Å; R593-E596 IonicContact NE-OE1 3.48Å; R593-E596 PolarHBondContact NE-OE1 2.88Å; R593-E596 IonicContact NE-OE2 3.11Å; R593-E596 IonicContact NH2-OE1 2.66Å; R593-E596 PolarHBondContact NH2-OE1 2.72Å; R593-E596 IonicContact NH2-OE2 3.79Å; R593-E596 PolarHBondContact NH2-OE2 3Å; R593-E596 PolarHBondContact O-N 3.07Å; R593-A597 PolarHBondContact O-N 3.08Å; R593-A597 VanDerWaalsContact O-N 3.1Å
594	T	94.2	Very high	94.3	Very high	40 Å²	40	41.3 Å²	41.3	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-41.1	-167.3	56.2	0	0	0	0	113.4	Y589 N592 A597 Y598	Y589-T594 HydrophobicContact CD2-CG2 3.98Å; Y589-T594 HydrophobicContact CE2-CG2 3.78Å; N592-T594 PolarHBondContact O-N 3.11Å; N592-T594 VanDerWaalsContact O-N 3.1Å; T594-A597 WeakPolarHBondContact O-CB 3.37Å; T594-A597 PolarHBondContact O-N 2.75Å; T594-Y598 WeakPolarHBondContact O-CD2 3.27Å; T594-Y598 PolarHBondContact O-N 3.03Å; T594-Y598 VanDerWaalsContact O-N 3.11Å
595	E	94.3	Very high	94.3	Very high	123 Å²	123	42.6 Å²	42.6	58%	0.575	21%	0.205	S	C	*	.	H	α-helix	trans	-65.1	-46.4	179.7	-57.7	-45.6	116.4	0	0	111	R593 A597 Y598 E599	R593-E595 PolarHBondContact O-N 3.26Å; E595-A597 VanDerWaalsContact C-N 3.29Å; E595-A597 PolarHBondContact O-N 2.85Å; E595-Y598 CarbonylContact O-C 3.6Å; E595-Y598 WeakPolarHBondContact O-CA 3.28Å; E595-Y598 PolarHBondContact O-N 3.04Å; E595-E599 WeakPolarHBondContact O-CG 3.48Å; E595-E599 PolarHBondContact O-N 3.37Å
596	E	94.7	Very high	94.2	Very high	59 Å²	59	50.4 Å²	50.4	28%	0.276	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-37.3	175.6	-63.9	-179.9	-98.7	0	0	112.5	M359 L588 R593 Y598 E599 L600	M359-E596 WeakPolarHBondContact CE-OE2 3.04Å; L588-E596 HydrophobicContact CD1-CB 4.37Å; L588-E596 HydrophobicContact CD2-CB 4.26Å; R593-E596 IonicContact CZ-OE1 3.36Å; R593-E596 IonicContact CZ-OE2 3.22Å; R593-E596 IonicContact NE-OE1 3.48Å; R593-E596 PolarHBondContact NE-OE1 2.88Å; R593-E596 IonicContact NE-OE2 3.11Å; R593-E596 IonicContact NH2-OE1 2.66Å; R593-E596 PolarHBondContact NH2-OE1 2.72Å; R593-E596 IonicContact NH2-OE2 3.79Å; R593-E596 PolarHBondContact NH2-OE2 3Å; R593-E596 PolarHBondContact O-N 3.07Å; E596-Y598 VanDerWaalsContact C-N 3.3Å; E596-Y598 PolarHBondContact O-N 2.85Å; E596-E599 PolarHBondContact O-N 3.43Å; E596-L600 VanDerWaalsContact O-CB 3.32Å; E596-L600 WeakPolarHBondContact O-CB 3.39Å; E596-L600 PolarHBondContact O-N 2.93Å
597	A	95.3	Very high	94.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-38.7	174.4	0	0	0	0	0	111.7	L588 R593 T594 E595 Y601	L588-A597 HydrophobicContact CB-CB 3.74Å; L588-A597 HydrophobicContact CD1-CB 4.47Å; R593-A597 PolarHBondContact O-N 3.08Å; R593-A597 VanDerWaalsContact O-N 3.1Å; T594-A597 WeakPolarHBondContact O-CB 3.37Å; T594-A597 PolarHBondContact O-N 2.75Å; E595-A597 VanDerWaalsContact C-N 3.29Å; E595-A597 PolarHBondContact O-N 2.85Å; A597-Y601 WeakPolarHBondContact O-CD2 3.38Å; A597-Y601 PolarHBondContact O-N 3.37Å
598	Y	95.4	Very high	94	Very high	23 Å²	23	54.8 Å²	54.8	9%	0.09	27%	0.268	C	S	.	.	H	α-helix	trans	-78.3	-36.5	177.3	-81.1	-62.8	0	0	0	113.7	T594 E595 E596 L600 Y601 D602 R613 Y614 E778	T594-Y598 WeakPolarHBondContact O-CD2 3.27Å; T594-Y598 PolarHBondContact O-N 3.03Å; T594-Y598 VanDerWaalsContact O-N 3.11Å; E595-Y598 CarbonylContact O-C 3.6Å; E595-Y598 WeakPolarHBondContact O-CA 3.28Å; E595-Y598 PolarHBondContact O-N 3.04Å; E596-Y598 VanDerWaalsContact C-N 3.3Å; E596-Y598 PolarHBondContact O-N 2.85Å; Y598-L600 VanDerWaalsContact C-N 3.28Å; Y598-L600 PolarHBondContact O-N 3.41Å; Y598-Y601 AromaticContact CD1-CD2 3.89Å; Y598-Y601 HydrophobicContact CD1-CD2 3.89Å; Y598-Y601 HydrophobicContact CE1-CD2 4.31Å; Y598-Y601 CarbonylContact O-C 3.44Å; Y598-Y601 PolarHBondContact O-N 2.93Å; Y598-Y601 VanDerWaalsContact O-N 3.07Å; Y598-D602 PolarHBondContact O-N 3.4Å; Y598-R613 VanDerWaalsContact CB-NH2 3.34Å; Y598-Y614 HydrophobicContact CD1-CE1 4.36Å; Y598-Y614 HydrophobicContact CE1-CD1 4.01Å; Y598-Y614 AromaticContact CE1-CE1 3.5Å; Y598-Y614 HydrophobicContact CE1-CE1 3.5Å; Y598-Y614 VanDerWaalsContact CE1-CE1 3.5Å; Y598-Y614 AromaticContact CZ-CE1 3.91Å; Y598-E778 PolarHBondContact OH-OE1 2.81Å; Y598-E778 VanDerWaalsContact OH-OE1 3.11Å; Y598-E778 PolarHBondContact OH-OE2 3.17Å
599	E	95.3	Very high	93.9	Very high	120 Å²	120	55.4 Å²	55.4	56%	0.561	27%	0.272	S	S	*	.	H	α-helix	trans	-58.5	-42.7	171.7	-73.4	179.8	169.6	0	0	110.9	E595 E596 Y601 D602 E603	E595-E599 WeakPolarHBondContact O-CG 3.48Å; E595-E599 PolarHBondContact O-N 3.37Å; E596-E599 PolarHBondContact O-N 3.43Å; E599-Y601 VanDerWaalsContact C-N 3.35Å; E599-Y601 PolarHBondContact O-N 3.45Å; E599-D602 PolarHBondContact O-N 2.89Å; E599-E603 WeakPolarHBondContact O-CB 3.4Å; E599-E603 PolarHBondContact O-N 3Å
600	L	95.6	Very high	93.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-40.2	171.5	173.9	71.8	0	0	0	112.4	M359 I361 L568 V581 L584 L588 E596 Y598 E603 A604	M359-L600 HydrophobicContact CB-CB 4.24Å; M359-L600 HydrophobicContact CB-CD1 4.29Å; I361-L600 HydrophobicContact CD1-CD1 4.01Å; I361-L600 HydrophobicContact CG1-CD1 4.16Å; L568-L600 HydrophobicContact CD1-CD1 4.32Å; V581-L600 HydrophobicContact CG1-CD1 4.4Å; V581-L600 HydrophobicContact CG1-CD2 4.32Å; V581-L600 HydrophobicContact CG1-CG 4.05Å; L584-L600 HydrophobicContact CB-CD2 3.92Å; L584-L600 HydrophobicContact CD2-CD1 3.92Å; L584-L600 HydrophobicContact CD2-CD2 3.63Å; L584-L600 HydrophobicContact CD2-CG 4.44Å; L584-L600 HydrophobicContact CG-CD2 3.57Å; L588-L600 HydrophobicContact CD1-CD2 4.08Å; E596-L600 VanDerWaalsContact O-CB 3.32Å; E596-L600 WeakPolarHBondContact O-CB 3.39Å; E596-L600 PolarHBondContact O-N 2.93Å; Y598-L600 VanDerWaalsContact C-N 3.28Å; Y598-L600 PolarHBondContact O-N 3.41Å; L600-E603 WeakPolarHBondContact O-CB 3.45Å; L600-E603 PolarHBondContact O-N 2.92Å; L600-A604 WeakPolarHBondContact O-CB 3.48Å; L600-A604 PolarHBondContact O-N 3.41Å
601	Y	95.8	Very high	94	Very high	10 Å²	10	55 Å²	55	4%	0.039	28%	0.276	C	S	.	.	H	α-helix	trans	-71.4	-32.7	176.9	-62.6	-27.9	0	0	0	112.8	V581 G585 D586 A597 Y598 E599 S605 F610 R616	V581-Y601 HydrophobicContact CG1-CD1 4.13Å; V581-Y601 HydrophobicContact CG1-CE1 4.44Å; G585-Y601 VanDerWaalsContact C-OH 3.3Å; G585-Y601 WeakPolarHBondContact CA-OH 3.39Å; D586-Y601 PolarHBondContact N-OH 3.46Å; A597-Y601 WeakPolarHBondContact O-CD2 3.38Å; A597-Y601 PolarHBondContact O-N 3.37Å; Y598-Y601 AromaticContact CD1-CD2 3.89Å; Y598-Y601 HydrophobicContact CD1-CD2 3.89Å; Y598-Y601 HydrophobicContact CE1-CD2 4.31Å; Y598-Y601 CarbonylContact O-C 3.44Å; Y598-Y601 PolarHBondContact O-N 2.93Å; Y598-Y601 VanDerWaalsContact O-N 3.07Å; E599-Y601 VanDerWaalsContact C-N 3.35Å; E599-Y601 PolarHBondContact O-N 3.45Å; Y601-S605 WeakPolarHBondContact O-CB 3.48Å; Y601-S605 PolarHBondContact O-N 3.35Å; Y601-S605 PolarHBondContact O-OG 2.91Å; Y601-F610 AromaticContact CD1-CE2 3.87Å; Y601-F610 HydrophobicContact CD1-CE2 3.87Å; Y601-F610 HydrophobicContact CE1-CE2 4.39Å; Y601-R616 VanDerWaalsContact CE2-CZ 3.44Å
602	D	95.7	Very high	94	Very high	54 Å²	54	54.6 Å²	54.6	29%	0.289	28%	0.275	S	S	.	.	H	α-helix	trans	-70.4	-37.8	170.9	-82.2	-44.1	0	0	0	111.9	Y598 E599 S605 R606 R613	Y598-D602 PolarHBondContact O-N 3.4Å; E599-D602 PolarHBondContact O-N 2.89Å; D602-S605 PolarHBondContact O-N 3.25Å; D602-R606 WeakPolarHBondContact O-CB 3.38Å; D602-R606 WeakPolarHBondContact O-CG 3.29Å; D602-R606 PolarHBondContact O-N 3.39Å; D602-R606 PolarHBondContact O-NE 3.12Å; D602-R606 VanDerWaalsContact O-NE 3.13Å; D602-R613 VanDerWaalsContact OD1-CD 3.3Å; D602-R613 WeakPolarHBondContact OD1-CD 3.37Å; D602-R613 WeakPolarHBondContact OD2-CD 3.45Å; D602-R613 IonicContact OD2-CZ 3.74Å; D602-R613 IonicContact OD2-NE 3.38Å; D602-R613 IonicContact OD2-NH1 3.24Å; D602-R613 PolarHBondContact OD2-NH1 3.05Å
603	E	94.3	Very high	94.1	Very high	30 Å²	30	50.5 Å²	50.5	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-58.6	-51.4	169.9	-175.7	71.5	-168.8	0	0	110.3	I361 E599 L600 S605 R606 H607	I361-E603 HydrophobicContact CB-CG 3.96Å; I361-E603 HydrophobicContact CD1-CB 4.3Å; I361-E603 HydrophobicContact CD1-CG 3.94Å; I361-E603 HydrophobicContact CG1-CG 3.81Å; E599-E603 WeakPolarHBondContact O-CB 3.4Å; E599-E603 PolarHBondContact O-N 3Å; L600-E603 WeakPolarHBondContact O-CB 3.45Å; L600-E603 PolarHBondContact O-N 2.92Å; E603-S605 VanDerWaalsContact C-N 3.31Å; E603-S605 PolarHBondContact O-N 2.95Å; E603-R606 VanDerWaalsContact N-NH2 3.19Å; E603-R606 PolarHBondContact O-N 3.41Å; E603-R606 VanDerWaalsContact O-N 3.12Å; E603-R606 IonicContact OE2-CZ 3.05Å; E603-R606 IonicContact OE2-NH1 2.9Å; E603-R606 PolarHBondContact OE2-NH1 2.8Å; E603-R606 IonicContact OE2-NH2 3.07Å; E603-R606 PolarHBondContact OE2-NH2 3.04Å; E603-H607 PolarHBondContact O-CD2 3Å; E603-H607 PolarHBondContact O-N 3.12Å; E603-H607 VanDerWaalsContact O-N 3.09Å; E603-H607 IonicContact OE1-CD2 2.76Å; E603-H607 IonicContact OE1-CE1 3.29Å; E603-H607 IonicContact OE1-NE2 2.85Å; E603-H607 PolarHBondContact OE1-NE2 3.13Å
604	A	94.3	Very high	94.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-39.7	178.5	0	0	0	0	0	112.9	I361 V581 L600 H607 G608 I609 F610	I361-A604 HydrophobicContact CD1-CB 3.74Å; V581-A604 HydrophobicContact CG1-CB 3.67Å; V581-A604 HydrophobicContact CG2-CB 4.41Å; L600-A604 WeakPolarHBondContact O-CB 3.48Å; L600-A604 PolarHBondContact O-N 3.41Å; A604-H607 CarbonylContact O-C 3.56Å; A604-H607 PolarHBondContact O-N 3.43Å; A604-G608 PolarHBondContact O-N 3.24Å; A604-I609 HydrophobicContact CB-CB 4.06Å; A604-I609 HydrophobicContact CB-CD1 4.36Å; A604-I609 HydrophobicContact CB-CG2 4.27Å; A604-I609 WeakPolarHBondContact O-CB 3.35Å; A604-I609 PolarHBondContact O-N 2.95Å; A604-F610 HydrophobicContact CB-CD2 3.68Å; A604-F610 HydrophobicContact CB-CE2 3.81Å
605	S	94.3	Very high	94.2	Very high	28 Å²	28	47.9 Å²	47.9	20%	0.196	24%	0.235	C	C	.	.	H	α-helix	trans	-63.5	-42	175	-55.9	0	0	0	0	111.7	Y601 D602 E603 H607 G608 N612 R613	Y601-S605 WeakPolarHBondContact O-CB 3.48Å; Y601-S605 PolarHBondContact O-N 3.35Å; Y601-S605 PolarHBondContact O-OG 2.91Å; D602-S605 PolarHBondContact O-N 3.25Å; E603-S605 VanDerWaalsContact C-N 3.31Å; E603-S605 PolarHBondContact O-N 2.95Å; S605-H607 PolarHBondContact O-N 2.75Å; S605-G608 PolarHBondContact O-N 3.18Å; S605-N612 VanDerWaalsContact OG-CA 3.3Å; S605-N612 WeakPolarHBondContact OG-CA 3.39Å; S605-R613 PolarHBondContact OG-N 2.73Å
606	R	93.9	Very high	94.3	Very high	165 Å²	165	42.7 Å²	42.7	62%	0.623	21%	0.21	S	C	*	.	H	α-helix	trans	-66.6	-22.3	176.7	-74.2	177.3	-75.7	107.5	-4.7	113.5	D602 E603	D602-R606 WeakPolarHBondContact O-CB 3.38Å; D602-R606 WeakPolarHBondContact O-CG 3.29Å; D602-R606 PolarHBondContact O-N 3.39Å; D602-R606 PolarHBondContact O-NE 3.12Å; D602-R606 VanDerWaalsContact O-NE 3.13Å; E603-R606 VanDerWaalsContact N-NH2 3.19Å; E603-R606 PolarHBondContact O-N 3.41Å; E603-R606 VanDerWaalsContact O-N 3.12Å; E603-R606 IonicContact OE2-CZ 3.05Å; E603-R606 IonicContact OE2-NH1 2.9Å; E603-R606 PolarHBondContact OE2-NH1 2.8Å; E603-R606 IonicContact OE2-NH2 3.07Å; E603-R606 PolarHBondContact OE2-NH2 3.04Å
607	H	91.5	Very high	94.1	Very high	63 Å²	63	40 Å²	40	29%	0.292	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.2	170.1	-69.3	-70.8	0	0	0	114.3	I361 V363 I574 E603 A604 S605 I609	I361-H607 PolarHBondContact O-CE1 3.23Å; I361-H607 PolarHBondContact O-NE2 3.11Å; I361-H607 VanDerWaalsContact O-NE2 3.09Å; V363-H607 HydrophobicContact CG2-CB 3.76Å; I574-H607 VanDerWaalsContact CD1-O 3.28Å; I574-H607 WeakPolarHBondContact CD1-O 3.4Å; E603-H607 PolarHBondContact O-CD2 3Å; E603-H607 PolarHBondContact O-N 3.12Å; E603-H607 VanDerWaalsContact O-N 3.09Å; E603-H607 IonicContact OE1-CD2 2.76Å; E603-H607 IonicContact OE1-CE1 3.29Å; E603-H607 IonicContact OE1-NE2 2.85Å; E603-H607 PolarHBondContact OE1-NE2 3.13Å; A604-H607 CarbonylContact O-C 3.56Å; A604-H607 PolarHBondContact O-N 3.43Å; S605-H607 PolarHBondContact O-N 2.75Å; H607-I609 VanDerWaalsContact C-N 3.27Å; H607-I609 HydrophobicContact CB-CD1 3.94Å; H607-I609 HydrophobicContact CB-CG1 4.14Å; H607-I609 PolarHBondContact O-N 3.08Å
608	G	90.7	Very high	93.7	Very high	54 Å²	54	41.8 Å²	41.8	56%	0.557	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	16.5	-178.6	0	0	0	0	0	115	A604 S605	A604-G608 PolarHBondContact O-N 3.24Å; S605-G608 PolarHBondContact O-N 3.18Å
609	I	91.6	Very high	93.1	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.067	21%	0.207	C	C	.	.	S	Bend	trans	-74.9	-31.2	179.3	-65.7	165.4	0	0	0	111.2	I361 V363 I574 A577 A578 A604 H607	I361-I609 HydrophobicContact CD1-CD1 4.14Å; I361-I609 HydrophobicContact CG2-CD1 3.84Å; V363-I609 HydrophobicContact CG2-CD1 4.04Å; I574-I609 HydrophobicContact CD1-CG1 4.49Å; I574-I609 HydrophobicContact CG1-CG1 3.73Å; A577-I609 HydrophobicContact CB-CD1 3.67Å; A577-I609 HydrophobicContact CB-CG1 4.18Å; A577-I609 HydrophobicContact CB-CG2 4.5Å; A578-I609 VanDerWaalsContact CA-CG2 3.45Å; A578-I609 HydrophobicContact CB-CG2 3.68Å; A604-I609 HydrophobicContact CB-CB 4.06Å; A604-I609 HydrophobicContact CB-CD1 4.36Å; A604-I609 HydrophobicContact CB-CG2 4.27Å; A604-I609 WeakPolarHBondContact O-CB 3.35Å; A604-I609 PolarHBondContact O-N 2.95Å; H607-I609 VanDerWaalsContact C-N 3.27Å; H607-I609 HydrophobicContact CB-CD1 3.94Å; H607-I609 HydrophobicContact CB-CG1 4.14Å; H607-I609 PolarHBondContact O-N 3.08Å
610	F	93.2	Very high	92.9	Very high	8 Å²	8	39 Å²	39	4%	0.035	20%	0.195	C	C	.	.	S	Bend	trans	-130.1	161.2	174.2	-58.6	-41.8	0	0	0	110.2	A578 V581 V582 Y601 A604 R616	A578-F610 HydrophobicContact CB-CE1 4.22Å; V581-F610 HydrophobicContact CB-CE2 4.22Å; V581-F610 HydrophobicContact CB-CZ 3.95Å; V581-F610 HydrophobicContact CG1-CE2 3.42Å; V581-F610 VanDerWaalsContact CG1-CE2 3.42Å; V581-F610 HydrophobicContact CG1-CZ 3.66Å; V582-F610 HydrophobicContact CG2-CE1 3.86Å; V582-F610 HydrophobicContact CG2-CZ 3.62Å; Y601-F610 AromaticContact CD1-CE2 3.87Å; Y601-F610 HydrophobicContact CD1-CE2 3.87Å; Y601-F610 HydrophobicContact CE1-CE2 4.39Å; A604-F610 HydrophobicContact CB-CD2 3.68Å; A604-F610 HydrophobicContact CB-CE2 3.81Å; F610-R616 HydrophobicContact CD1-CB 3.95Å; F610-R616 HydrophobicContact CD2-CB 4.12Å; F610-R616 HydrophobicContact CD2-CG 3.87Å; F610-R616 HydrophobicContact CE1-CB 4.02Å; F610-R616 HydrophobicContact CE2-CB 4.17Å; F610-R616 HydrophobicContact CE2-CG 4.08Å; F610-R616 HydrophobicContact CG-CB 4.03Å; F610-R616 HydrophobicContact CG-CG 4.13Å; F610-R616 HydrophobicContact CZ-CB 4.14Å
611	L	92.8	Very high	92.6	Very high	87 Å²	87	40.6 Å²	40.6	46%	0.455	20%	0.204	S	C	.	.	S	Bend	trans	-68.9	-37.6	176.3	-63.8	172.6	0	0	0	111.6	Q615	L611-Q615 HydrophobicContact CB-CB 4.28Å; L611-Q615 HydrophobicContact CB-CG 4.45Å; L611-Q615 HydrophobicContact CD1-CG 4.13Å; L611-Q615 PolarHBondContact N-O 3.21Å
612	N	93.3	Very high	92.1	Very high	51 Å²	51	42.8 Å²	42.8	27%	0.273	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-166.6	173.4	167.4	60.7	80.6	0	0	0	109.9	S605 Y614 Q615	S605-N612 VanDerWaalsContact OG-CA 3.3Å; S605-N612 WeakPolarHBondContact OG-CA 3.39Å; N612-Y614 PolarHBondContact O-N 2.84Å; N612-Y614 WeakPolarHBondContact OD1-CA 3.28Å; N612-Y614 WeakPolarHBondContact OD1-CB 3.44Å; N612-Y614 PolarHBondContact OD1-N 2.95Å; N612-Q615 VanDerWaalsContact ND2-CB 3.34Å; N612-Q615 WeakPolarHBondContact ND2-CB 3.38Å; N612-Q615 PolarHBondContact ND2-OE1 3.02Å; N612-Q615 CarbonylContact O-C 3.59Å; N612-Q615 PolarHBondContact O-N 3.09Å; N612-Q615 PolarHBondContact OD1-N 2.99Å
613	R	95	Very high	91.7	Very high	56 Å²	56	49.9 Å²	49.9	21%	0.211	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.5	-177.9	70	-177.6	-94.2	161.6	-10.3	115.2	Y598 D602 S605 R616	Y598-R613 VanDerWaalsContact CB-NH2 3.34Å; D602-R613 VanDerWaalsContact OD1-CD 3.3Å; D602-R613 WeakPolarHBondContact OD1-CD 3.37Å; D602-R613 WeakPolarHBondContact OD2-CD 3.45Å; D602-R613 IonicContact OD2-CZ 3.74Å; D602-R613 IonicContact OD2-NE 3.38Å; D602-R613 IonicContact OD2-NH1 3.24Å; D602-R613 PolarHBondContact OD2-NH1 3.05Å; S605-R613 PolarHBondContact OG-N 2.73Å; R613-R616 WeakPolarHBondContact O-CD 3.49Å; R613-R616 PolarHBondContact O-NH1 3.45Å
614	Y	95.9	Very high	91.7	Very high	57 Å²	57	49.4 Å²	49.4	22%	0.224	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-10.2	177.5	-61.5	-72.1	0	0	0	113.7	Y598 N612 H759 F777 E778	Y598-Y614 HydrophobicContact CD1-CE1 4.36Å; Y598-Y614 HydrophobicContact CE1-CD1 4.01Å; Y598-Y614 AromaticContact CE1-CE1 3.5Å; Y598-Y614 HydrophobicContact CE1-CE1 3.5Å; Y598-Y614 VanDerWaalsContact CE1-CE1 3.5Å; Y598-Y614 AromaticContact CZ-CE1 3.91Å; N612-Y614 PolarHBondContact O-N 2.84Å; N612-Y614 WeakPolarHBondContact OD1-CA 3.28Å; N612-Y614 WeakPolarHBondContact OD1-CB 3.44Å; N612-Y614 PolarHBondContact OD1-N 2.95Å; Y614-H759 AromaticContact CD1-ND1 3.68Å; Y614-H759 AromaticContact CD2-CE1 3.3Å; Y614-H759 WeakPolarHBondContact CD2-CE1 3.37Å; Y614-H759 AromaticContact CD2-ND1 3.41Å; Y614-H759 WeakPolarHBondContact CD2-ND1 3.4Å; Y614-H759 AromaticContact CE2-CE1 3.56Å; Y614-H759 AromaticContact CE2-ND1 3.93Å; Y614-H759 AromaticContact CG-CE1 3.71Å; Y614-H759 AromaticContact CG-ND1 3.28Å; Y614-H759 VanDerWaalsContact CG-ND1 3.28Å; Y614-F777 CarbonylContact O-C 3.6Å; Y614-F777 VanDerWaalsContact O-CA 3.28Å; Y614-F777 WeakPolarHBondContact O-CA 3.13Å; Y614-E778 PolarHBondContact O-N 3.32Å
615	Q	95.9	Very high	91.8	Very high	4 Å²	4	51.3 Å²	51.3	2%	0.019	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-122.4	84.6	-179.4	-161.4	-177.7	12	0	0	109.4	L611 N612 D774 S776 F777	L611-Q615 HydrophobicContact CB-CB 4.28Å; L611-Q615 HydrophobicContact CB-CG 4.45Å; L611-Q615 HydrophobicContact CD1-CG 4.13Å; L611-Q615 PolarHBondContact N-O 3.21Å; N612-Q615 VanDerWaalsContact ND2-CB 3.34Å; N612-Q615 WeakPolarHBondContact ND2-CB 3.38Å; N612-Q615 PolarHBondContact ND2-OE1 3.02Å; N612-Q615 CarbonylContact O-C 3.59Å; N612-Q615 PolarHBondContact O-N 3.09Å; N612-Q615 PolarHBondContact OD1-N 2.99Å; Q615-D774 PolarHBondContact NE2-OD2 3.09Å; Q615-S776 WeakPolarHBondContact CA-O 3.14Å; Q615-S776 WeakPolarHBondContact CG-OG 2.97Å; Q615-S776 PolarHBondContact NE2-OG 3.06Å; Q615-F777 HydrophobicContact CB-CD1 4.14Å; Q615-F777 HydrophobicContact CB-CE1 4.14Å; Q615-F777 HydrophobicContact CB-CG 4.41Å; Q615-F777 HydrophobicContact CB-CZ 4.4Å; Q615-F777 HydrophobicContact CG-CD1 4.43Å; Q615-F777 HydrophobicContact CG-CD2 4.07Å; Q615-F777 HydrophobicContact CG-CE1 4.44Å; Q615-F777 HydrophobicContact CG-CE2 4.08Å; Q615-F777 HydrophobicContact CG-CG 4.26Å; Q615-F777 HydrophobicContact CG-CZ 4.28Å
616	R	94.8	Very high	91.9	Very high	14 Å²	14	52.3 Å²	52.3	5%	0.053	28%	0.281	C	S	.	.			trans	-104.4	20.4	-163.8	-54.2	-176.3	-68.7	-100.1	6.9	113.6	Y601 F610 R613 C735 S776 E778	Y601-R616 VanDerWaalsContact CE2-CZ 3.44Å; F610-R616 HydrophobicContact CD1-CB 3.95Å; F610-R616 HydrophobicContact CD2-CB 4.12Å; F610-R616 HydrophobicContact CD2-CG 3.87Å; F610-R616 HydrophobicContact CE1-CB 4.02Å; F610-R616 HydrophobicContact CE2-CB 4.17Å; F610-R616 HydrophobicContact CE2-CG 4.08Å; F610-R616 HydrophobicContact CG-CB 4.03Å; F610-R616 HydrophobicContact CG-CG 4.13Å; F610-R616 HydrophobicContact CZ-CB 4.14Å; R613-R616 WeakPolarHBondContact O-CD 3.49Å; R613-R616 PolarHBondContact O-NH1 3.45Å; R616-C735 HydrophobicContact CB-CB 4.38Å; R616-S776 PolarHBondContact N-O 3.35Å; R616-E778 IonicContact CZ-OE2 3.01Å; R616-E778 VanDerWaalsContact CZ-OE2 3.29Å; R616-E778 IonicContact NH1-OE2 3.41Å; R616-E778 PolarHBondContact NH1-OE2 3.45Å; R616-E778 IonicContact NH2-OE2 3.18Å; R616-E778 PolarHBondContact NH2-OE2 3.02Å
617	S	92	Very high	92	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	27%	0.269	C	S	.	.			trans	-62.6	143	173	51.4	0	0	0	0	111.4	N620 A736 S776	S617-N620 WeakPolarHBondContact CB-OD1 3.16Å; S617-N620 PolarHBondContact O-ND2 2.86Å; S617-N620 PolarHBondContact OG-ND2 3.42Å; S617-N620 PolarHBondContact OG-OD1 3Å; S617-A736 WeakPolarHBondContact CA-O 3.26Å; S617-A736 VanDerWaalsContact CB-O 3.29Å; S617-A736 WeakPolarHBondContact CB-O 3.45Å; S617-S776 WeakPolarHBondContact OG-CB 3.39Å
618	M	85.4	Confident	92.3	Very high	38 Å²	38	47 Å²	47	19%	0.187	26%	0.264	C	S	.	.	S	Bend	trans	-101.1	-22.1	-170.4	-64.2	-169.8	-85.1	0	0	114.1	A578 R579 F737	A578-M618 HydrophobicContact CB-CG 3.82Å; A578-M618 HydrophobicContact CB-SD 3.78Å; R579-M618 HydrophobicContact CB-SD 4.34Å; M618-F737 HydrophobicContact CE-CD1 3.53Å; M618-F737 HydrophobicContact CE-CE1 3.87Å; M618-F737 PolarHBondContact N-O 3.37Å
619	Y	84.6	Confident	92.6	Very high	31 Å²	31	45.6 Å²	45.6	12%	0.122	24%	0.242	C	C	.	.	S	Bend	trans	-123.2	81	-173.5	-51.1	-74	0	0	0	109.3	A74 L77 R78 F737 T738	A74-Y619 HydrophobicContact CB-CE2 4.36Å; A74-Y619 PolarHBondContact O-OH 2.86Å; L77-Y619 HydrophobicContact CB-CD1 3.99Å; L77-Y619 HydrophobicContact CB-CD2 3.47Å; L77-Y619 VanDerWaalsContact CB-CD2 3.47Å; L77-Y619 HydrophobicContact CB-CE1 4.34Å; L77-Y619 HydrophobicContact CB-CE2 3.84Å; L77-Y619 HydrophobicContact CB-CG 3.55Å; L77-Y619 HydrophobicContact CD1-CD2 3.55Å; L77-Y619 HydrophobicContact CD1-CE2 4.15Å; L77-Y619 HydrophobicContact CD1-CG 4.24Å; L77-Y619 HydrophobicContact CG-CD2 4.11Å; L77-Y619 HydrophobicContact CG-CG 4.41Å; R78-Y619 HydrophobicContact CG-CE1 3.61Å; R78-Y619 WeakPolarHBondContact CG-OH 3.08Å; R78-Y619 PolarHBondContact NE-OH 3.34Å; Y619-F737 HydrophobicContact CD2-CB 4Å; Y619-F737 WeakPolarHBondContact CD2-O 3.31Å; Y619-F737 HydrophobicContact CE2-CB 4.28Å; Y619-F737 PolarHBondContact N-O 3.17Å; Y619-T738 WeakPolarHBondContact O-CA 3.3Å; Y619-T738 WeakPolarHBondContact O-CB 3.39Å; Y619-T738 PolarHBondContact O-OG1 2.9Å
620	N	89.7	Confident	92.9	Very high	55 Å²	55	45.4 Å²	45.4	29%	0.294	24%	0.241	S	C	.	.			trans	-107	145.7	-169.2	-56.3	-39.4	0	0	0	112	S617 N739	S617-N620 WeakPolarHBondContact CB-OD1 3.16Å; S617-N620 PolarHBondContact O-ND2 2.86Å; S617-N620 PolarHBondContact OG-ND2 3.42Å; S617-N620 PolarHBondContact OG-OD1 3Å; N620-N739 WeakPolarHBondContact CA-OD1 3.35Å; N620-N739 WeakPolarHBondContact CB-OD1 3.35Å; N620-N739 PolarHBondContact OD1-N 3.06Å
621	V	89.8	Confident	93.1	Very high	33 Å²	33	49.5 Å²	49.5	20%	0.2	26%	0.262	C	S	.	.			trans	-89.3	136.9	158.3	174.4	0	0	0	0	107.4	L624 N739 L801 L809	V621-L624 HydrophobicContact CB-CD1 4Å; V621-L624 HydrophobicContact CB-CG 4.2Å; V621-L624 HydrophobicContact CG1-CD1 4.43Å; V621-L624 HydrophobicContact CG1-CD2 4.38Å; V621-L624 HydrophobicContact CG1-CG 4.18Å; V621-N739 PolarHBondContact N-OD1 2.94Å; V621-N739 PolarHBondContact O-ND2 3.48Å; V621-L801 HydrophobicContact CB-CD2 4.07Å; V621-L801 HydrophobicContact CG1-CD2 3.91Å; V621-L801 HydrophobicContact CG2-CD2 4Å; V621-L809 HydrophobicContact CG2-CD1 4.21Å
622	G	84.9	Confident	93.2	Very high	56 Å²	56	46.9 Å²	46.9	58%	0.577	25%	0.248	S	C	*	.	S	Bend	trans	-67.2	170.7	176.4	0	0	0	0	0	112.2	L624	G622-L624 PolarHBondContact O-N 2.7Å
623	E	88	Confident	93.2	Very high	204 Å²	204	48.1 Å²	48.1	95%	0.953	26%	0.26	S	S	*	.	S	Bend	trans	65.1	-18.3	172.3	-51	-176.4	161.3	0	0	116.9	T625	E623-T625 PolarHBondContact O-N 3.39Å
624	L	94.8	Very high	93.2	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.105	27%	0.268	C	S	.	.			trans	-57.9	130.9	178	-59.2	-171.3	0	0	0	112.3	V621 G622 A626 H798 E800 L801	V621-L624 HydrophobicContact CB-CD1 4Å; V621-L624 HydrophobicContact CB-CG 4.2Å; V621-L624 HydrophobicContact CG1-CD1 4.43Å; V621-L624 HydrophobicContact CG1-CD2 4.38Å; V621-L624 HydrophobicContact CG1-CG 4.18Å; G622-L624 PolarHBondContact O-N 2.7Å; L624-A626 PolarHBondContact O-N 3.48Å; L624-H798 HydrophobicContact CD1-CB 4.23Å; L624-E800 HydrophobicContact CD2-CB 4.01Å; L624-L801 HydrophobicContact CD1-CD1 4.44Å; L624-L801 HydrophobicContact CD1-CD2 4.05Å; L624-L801 HydrophobicContact CD1-CG 4.1Å; L624-L801 HydrophobicContact CD2-CD2 3.98Å; L624-L801 HydrophobicContact CD2-CG 4.08Å
625	T	96.4	Very high	93.1	Very high	39 Å²	39	47.1 Å²	47.1	24%	0.239	26%	0.261	C	S	.	.			trans	-57.9	105	176.2	-72.3	0	0	0	0	111.3	E623 K627 W630 H798 E800	E623-T625 PolarHBondContact O-N 3.39Å; T625-K627 HydrophobicContact CG2-CD 3.69Å; T625-K627 HydrophobicContact CG2-CG 3.98Å; T625-W630 HydrophobicContact CG2-CH2 4.09Å; T625-W630 HydrophobicContact CG2-CZ2 4.24Å; T625-W630 WeakPolarHBondContact O-CZ2 3.5Å; T625-H798 PolarHBondContact N-CE1 2.94Å; T625-H798 PolarHBondContact O-NE2 3.44Å; T625-E800 VanDerWaalsContact CB-OE1 3.25Å; T625-E800 WeakPolarHBondContact CB-OE1 3.37Å; T625-E800 VanDerWaalsContact CB-OE2 3.25Å; T625-E800 WeakPolarHBondContact CB-OE2 3.2Å; T625-E800 PolarHBondContact N-OE2 3.04Å; T625-E800 VanDerWaalsContact OG1-CD 3.3Å; T625-E800 PolarHBondContact OG1-OE1 3.16Å; T625-E800 PolarHBondContact OG1-OE2 3.31Å; T625-E800 VanDerWaalsContact OG1-OE2 3.1Å
626	A	95.9	Very high	92.8	Very high	49 Å²	49	50.4 Å²	50.4	41%	0.405	28%	0.279	S	S	.	.			trans	-83.4	115.3	176.6	0	0	0	0	0	111.6	L624 F777	L624-A626 PolarHBondContact O-N 3.48Å; A626-F777 HydrophobicContact CB-CE2 4Å; A626-F777 HydrophobicContact CB-CZ 3.94Å
627	K	96	Very high	92.7	Very high	86 Å²	86	50 Å²	50	37%	0.374	28%	0.278	S	S	.	.			trans	-144.7	127.1	177.4	-72.6	171.4	-175.2	151.8	0	110.5	T625 W629 W630 D774	T625-K627 HydrophobicContact CG2-CD 3.69Å; T625-K627 HydrophobicContact CG2-CG 3.98Å; K627-W629 VanDerWaalsContact C-N 3.35Å; K627-W629 PolarHBondContact O-N 2.98Å; K627-W630 HydrophobicContact CB-CZ2 4.33Å; K627-W630 PolarHBondContact O-NE1 3.13Å; K627-D774 WeakPolarHBondContact O-CB 3.23Å
628	P	97.5	Very high	92.7	Very high	30 Å²	30	52.1 Å²	52.1	20%	0.195	29%	0.29	C	S	.	.	S	Bend	trans	-56.3	-44	179.3	-27.4	34.2	0	0	0	113.8	V758 H759 F773 D774 F777	P628-V758 HydrophobicContact CB-CG1 3.97Å; P628-H759 HydrophobicContact CB-CB 3.99Å; P628-H759 HydrophobicContact CG-CB 3.81Å; P628-F773 VanDerWaalsContact O-CA 3.28Å; P628-F773 WeakPolarHBondContact O-CA 3.39Å; P628-F773 VanDerWaalsContact O-CB 3.25Å; P628-F773 WeakPolarHBondContact O-CB 3.39Å; P628-D774 PolarHBondContact O-N 3.39Å; P628-F777 HydrophobicContact CB-CG 4.38Å; P628-F777 HydrophobicContact CG-CD1 3.84Å; P628-F777 HydrophobicContact CG-CD2 4.42Å; P628-F777 HydrophobicContact CG-CE1 3.84Å; P628-F777 HydrophobicContact CG-CE2 4.43Å; P628-F777 HydrophobicContact CG-CG 4.13Å; P628-F777 HydrophobicContact CG-CZ 4.14Å
629	W	98	Very high	93	Very high	25 Å²	25	58 Å²	58	10%	0.095	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.7	-176.5	-67.8	106.6	0	0	0	111.8	K627 L756 V758 R763 L771 F773	K627-W629 VanDerWaalsContact C-N 3.35Å; K627-W629 PolarHBondContact O-N 2.98Å; W629-L756 HydrophobicContact CH2-CB 4.3Å; W629-L756 HydrophobicContact CH2-CD2 3.69Å; W629-L756 HydrophobicContact CH2-CG 3.74Å; W629-L756 HydrophobicContact CZ3-CD2 3.94Å; W629-L756 HydrophobicContact CZ3-CG 4.48Å; W629-V758 HydrophobicContact CD2-CB 4.41Å; W629-V758 HydrophobicContact CD2-CG2 4.39Å; W629-V758 HydrophobicContact CE3-CG2 4.47Å; W629-V758 HydrophobicContact CH2-CB 4.5Å; W629-V758 HydrophobicContact CH2-CG2 3.71Å; W629-V758 HydrophobicContact CZ2-CB 3.9Å; W629-V758 HydrophobicContact CZ2-CG2 3.58Å; W629-V758 HydrophobicContact CZ3-CG2 4.13Å; W629-R763 VanDerWaalsContact CG-CZ 3.45Å; W629-R763 HydrophobicContact CH2-CB 3.83Å; W629-R763 HydrophobicContact CH2-CG 3.91Å; W629-R763 HydrophobicContact CZ2-CB 3.97Å; W629-R763 HydrophobicContact CZ2-CG 3.67Å; W629-L771 HydrophobicContact CH2-CD1 4.1Å; W629-L771 HydrophobicContact CZ3-CB 3.98Å; W629-L771 HydrophobicContact CZ3-CD1 4.01Å; W629-L771 HydrophobicContact CZ3-CG 4.47Å; W629-F773 HydrophobicContact CD2-CB 4.49Å; W629-F773 HydrophobicContact CE3-CB 3.83Å; W629-F773 HydrophobicContact CZ3-CB 4.03Å
630	W	97.8	Very high	93.4	Very high	9 Å²	9	57.9 Å²	57.9	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	162.3	-178.1	-70.8	73.3	0	0	0	111.6	T625 K627 Q634 T635 L742 L772 H798 P799	T625-W630 HydrophobicContact CG2-CH2 4.09Å; T625-W630 HydrophobicContact CG2-CZ2 4.24Å; T625-W630 WeakPolarHBondContact O-CZ2 3.5Å; K627-W630 HydrophobicContact CB-CZ2 4.33Å; K627-W630 PolarHBondContact O-NE1 3.13Å; W630-Q634 HydrophobicContact CE3-CB 3.58Å; W630-Q634 HydrophobicContact CZ3-CB 3.91Å; W630-T635 HydrophobicContact CE3-CG2 4.49Å; W630-L742 HydrophobicContact CD2-CD1 3.53Å; W630-L742 HydrophobicContact CD2-CD2 4.21Å; W630-L742 HydrophobicContact CE3-CD1 3.72Å; W630-L742 HydrophobicContact CG-CD1 3.95Å; W630-L742 HydrophobicContact CG-CD2 4.32Å; W630-L742 HydrophobicContact CH2-CD1 4.28Å; W630-L742 HydrophobicContact CZ2-CD1 4.1Å; W630-L742 HydrophobicContact CZ2-CD2 4.1Å; W630-L742 HydrophobicContact CZ3-CD1 4.1Å; W630-L772 HydrophobicContact CB-CB 3.92Å; W630-L772 PolarHBondContact N-O 3.18Å; W630-H798 AromaticContact CH2-CE1 3.97Å; W630-H798 AromaticContact CH2-NE2 3.59Å; W630-H798 AromaticContact CZ2-NE2 3.16Å; W630-H798 WeakPolarHBondContact CZ2-NE2 3.2Å; W630-P799 HydrophobicContact CH2-CG 4.01Å; W630-P799 HydrophobicContact CZ3-CG 3.73Å
631	I	96.3	Very high	93.6	Very high	95 Å²	95	55.3 Å²	55.3	49%	0.487	30%	0.303	S	S	.	.			trans	-121.3	151.9	167.7	59.8	170.3	0	0	0	110.5	S633 Q634	I631-S633 WeakPolarHBondContact CD1-OG 3.36Å; I631-S633 PolarHBondContact O-N 3.39Å; I631-Q634 HydrophobicContact CG1-CG 3.8Å; I631-Q634 WeakPolarHBondContact O-CB 3.33Å; I631-Q634 PolarHBondContact O-N 3.33Å
632	M	94.5	Very high	93.8	Very high	32 Å²	32	58.2 Å²	58.2	16%	0.158	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-51.5	-34.7	-173.4	-59.3	176.8	-170.6	0	0	114.1	Q634 T635 N638 L641 K642 E645 L770 L772	M632-Q634 VanDerWaalsContact C-N 3.25Å; M632-Q634 PolarHBondContact O-N 3.21Å; M632-T635 PolarHBondContact O-N 3.45Å; M632-T635 VanDerWaalsContact O-N 3.12Å; M632-T635 PolarHBondContact O-OG1 2.73Å; M632-N638 WeakPolarHBondContact O-CA 3.21Å; M632-N638 WeakPolarHBondContact O-CB 3.18Å; M632-L641 HydrophobicContact CG-CB 4.24Å; M632-L641 HydrophobicContact CG-CD1 4.41Å; M632-L641 HydrophobicContact SD-CB 4.14Å; M632-K642 HydrophobicContact SD-CG 3.69Å; M632-E645 WeakPolarHBondContact CE-OE2 3.34Å; M632-L770 HydrophobicContact CE-CB 3.89Å; M632-L770 HydrophobicContact CE-CD1 3.65Å; M632-L770 HydrophobicContact CE-CG 4.33Å; M632-L772 HydrophobicContact CG-CD1 4.04Å
633	S	94.3	Very high	94.2	Very high	76 Å²	76	59.8 Å²	59.8	53%	0.531	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-75	-6.8	179.8	52.9	0	0	0	0	115.2	I631 T635	I631-S633 WeakPolarHBondContact CD1-OG 3.36Å; I631-S633 PolarHBondContact O-N 3.39Å; S633-T635 VanDerWaalsContact C-N 3.35Å
634	Q	95	Very high	94.4	Very high	78 Å²	78	50.1 Å²	50.1	36%	0.364	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-92.4	2.2	168.6	-65.6	166.1	-32.3	0	0	111.9	W630 I631 M632	W630-Q634 HydrophobicContact CE3-CB 3.58Å; W630-Q634 HydrophobicContact CZ3-CB 3.91Å; I631-Q634 HydrophobicContact CG1-CG 3.8Å; I631-Q634 WeakPolarHBondContact O-CB 3.33Å; I631-Q634 PolarHBondContact O-N 3.33Å; M632-Q634 VanDerWaalsContact C-N 3.25Å; M632-Q634 PolarHBondContact O-N 3.21Å
635	T	93	Very high	94.5	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.086	26%	0.261	C	S	.	.	S	Bend	trans	-118.8	152.3	-178.7	73.6	0	0	0	0	111.7	W630 M632 S633 C637 N638 L742 L772	W630-T635 HydrophobicContact CE3-CG2 4.49Å; M632-T635 PolarHBondContact O-N 3.45Å; M632-T635 VanDerWaalsContact O-N 3.12Å; M632-T635 PolarHBondContact O-OG1 2.73Å; S633-T635 VanDerWaalsContact C-N 3.35Å; T635-C637 PolarHBondContact O-N 3.22Å; T635-C637 VanDerWaalsContact O-N 3.11Å; T635-C637 PolarHBondContact OG1-N 2.85Å; T635-N638 PolarHBondContact O-N 2.88Å; T635-L742 HydrophobicContact CG2-CD1 4.19Å; T635-L772 HydrophobicContact CG2-CD2 3.72Å
636	N	90.7	Very high	94.4	Very high	73 Å²	73	58 Å²	58	39%	0.39	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.5	173.1	-56.9	-16.8	0	0	0	112.2	P799	N636-P799 PolarHBondContact ND2-O 3.27Å
637	C	91.7	Very high	94.4	Very high	5 Å²	5	58 Å²	58	3%	0.034	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	13.9	-178.8	-63.1	0	0	0	0	115	T635 Q639 Q640 L641 C715 L796	T635-C637 PolarHBondContact O-N 3.22Å; T635-C637 VanDerWaalsContact O-N 3.11Å; T635-C637 PolarHBondContact OG1-N 2.85Å; C637-Q639 PolarHBondContact O-N 3.22Å; C637-Q640 PolarHBondContact O-N 3.13Å; C637-Q640 PolarHBondContact O-OE1 3.25Å; C637-L641 HydrophobicContact CB-CD1 3.73Å; C637-L641 HydrophobicContact CB-CG 3.86Å; C637-L641 WeakPolarHBondContact O-CB 3.38Å; C637-L641 WeakPolarHBondContact O-CG 3.3Å; C637-L641 PolarHBondContact O-N 2.92Å; C637-C715 WeakPolarHBondContact CA-SG 3.42Å; C637-C715 HydrophobicContact CB-CB 3.95Å; C637-C715 WeakPolarHBondContact CB-SG 3.5Å; C637-C715 VanDerWaalsContact SG-CA 3.51Å; C637-C715 WeakPolarHBondContact SG-CB 3.33Å; C637-C715 CovalentContact SG-SG 2.03Å; C637-C715 PolarHBondContact SG-SG 3.15Å; C637-L796 HydrophobicContact CB-CD1 4.23Å
638	N	93.1	Very high	94.4	Very high	47 Å²	47	56.8 Å²	56.8	25%	0.251	27%	0.271	S	S	.	.	H	α-helix	trans	-49.9	-45.5	-172.3	-176.7	1	0	0	0	115	M632 T635 K642	M632-N638 WeakPolarHBondContact O-CA 3.21Å; M632-N638 WeakPolarHBondContact O-CB 3.18Å; T635-N638 PolarHBondContact O-N 2.88Å; N638-K642 WeakPolarHBondContact O-CD 3.07Å; N638-K642 VanDerWaalsContact O-CG 3.3Å; N638-K642 WeakPolarHBondContact O-CG 3.17Å; N638-K642 PolarHBondContact O-N 3.39Å; N638-K642 WeakPolarHBondContact OD1-CE 3.44Å; N638-K642 PolarHBondContact OD1-NZ 2.94Å
639	Q	91.3	Very high	94.4	Very high	160 Å²	160	64.3 Å²	64.3	75%	0.748	30%	0.295	S	S	*	.	H	α-helix	trans	-80.3	-36.1	-178.5	-59.3	-169	18.2	0	0	112	C637 K642 K643	C637-Q639 PolarHBondContact O-N 3.22Å; Q639-K642 WeakPolarHBondContact O-CB 3.47Å; Q639-K642 PolarHBondContact O-N 2.94Å; Q639-K643 PolarHBondContact O-N 3.41Å
640	Q	93.2	Very high	94.3	Very high	30 Å²	30	66.1 Å²	66.1	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-69.1	-43.6	-176.3	-56.3	84.8	-30	0	0	110.2	C637 K643 F644 I708 S713 C715	C637-Q640 PolarHBondContact O-N 3.13Å; C637-Q640 PolarHBondContact O-OE1 3.25Å; Q640-K643 WeakPolarHBondContact O-CB 3.48Å; Q640-K643 PolarHBondContact O-N 2.93Å; Q640-F644 PolarHBondContact O-N 3.27Å; Q640-I708 HydrophobicContact CB-CB 4.33Å; Q640-I708 HydrophobicContact CB-CG1 4.35Å; Q640-I708 HydrophobicContact CB-CG2 3.94Å; Q640-S713 VanDerWaalsContact NE2-CB 3.32Å; Q640-S713 PolarHBondContact NE2-OG 3.32Å; Q640-C715 HydrophobicContact CG-CB 4.47Å
641	L	94.3	Very high	94.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.2	-32.7	173.2	-66.8	168.9	0	0	0	112.5	M632 C637 K643 F644 E645 A744 L770 L772 L796	M632-L641 HydrophobicContact CG-CB 4.24Å; M632-L641 HydrophobicContact CG-CD1 4.41Å; M632-L641 HydrophobicContact SD-CB 4.14Å; C637-L641 HydrophobicContact CB-CD1 3.73Å; C637-L641 HydrophobicContact CB-CG 3.86Å; C637-L641 WeakPolarHBondContact O-CB 3.38Å; C637-L641 WeakPolarHBondContact O-CG 3.3Å; C637-L641 PolarHBondContact O-N 2.92Å; L641-K643 VanDerWaalsContact C-N 3.3Å; L641-K643 PolarHBondContact O-N 3.1Å; L641-F644 HydrophobicContact CD2-CD1 4.23Å; L641-F644 WeakPolarHBondContact O-CB 3.45Å; L641-F644 PolarHBondContact O-N 2.73Å; L641-E645 PolarHBondContact O-N 3.23Å; L641-A744 HydrophobicContact CD2-CB 4.19Å; L641-L770 HydrophobicContact CB-CD1 4.05Å; L641-L770 HydrophobicContact CD2-CD1 4.21Å; L641-L772 HydrophobicContact CD1-CD2 3.9Å; L641-L796 HydrophobicContact CD1-CD1 3.87Å; L641-L796 HydrophobicContact CD2-CD1 4.1Å; L641-L796 HydrophobicContact CG-CD1 4.42Å
642	K	93.9	Very high	94.2	Very high	94 Å²	94	65.7 Å²	65.7	41%	0.409	30%	0.299	S	S	.	.	H	α-helix	trans	-67.8	-28.1	171.4	-77.1	170.9	178.9	158.4	0	113.1	M632 N638 Q639 R646	M632-K642 HydrophobicContact SD-CG 3.69Å; N638-K642 WeakPolarHBondContact O-CD 3.07Å; N638-K642 VanDerWaalsContact O-CG 3.3Å; N638-K642 WeakPolarHBondContact O-CG 3.17Å; N638-K642 PolarHBondContact O-N 3.39Å; N638-K642 WeakPolarHBondContact OD1-CE 3.44Å; N638-K642 PolarHBondContact OD1-NZ 2.94Å; Q639-K642 WeakPolarHBondContact O-CB 3.47Å; Q639-K642 PolarHBondContact O-N 2.94Å; K642-R646 VanDerWaalsContact O-CD 3.23Å; K642-R646 WeakPolarHBondContact O-CD 3.5Å; K642-R646 VanDerWaalsContact O-CG 3.23Å; K642-R646 WeakPolarHBondContact O-CG 3.4Å; K642-R646 PolarHBondContact O-NE 2.97Å
643	K	91.8	Very high	94.3	Very high	90 Å²	90	69.1 Å²	69.1	39%	0.391	31%	0.314	S	S	.	.	H	α-helix	trans	-71.8	-51.6	167.9	-177.2	-165.3	168.9	-166.6	0	110.1	Q639 Q640 L641 E645 R646 D647 S707	Q639-K643 PolarHBondContact O-N 3.41Å; Q640-K643 WeakPolarHBondContact O-CB 3.48Å; Q640-K643 PolarHBondContact O-N 2.93Å; L641-K643 VanDerWaalsContact C-N 3.3Å; L641-K643 PolarHBondContact O-N 3.1Å; K643-E645 VanDerWaalsContact C-N 3.32Å; K643-E645 PolarHBondContact O-N 3.31Å; K643-R646 WeakPolarHBondContact O-CA 3.21Å; K643-R646 WeakPolarHBondContact O-CB 3.37Å; K643-R646 PolarHBondContact O-N 2.92Å; K643-D647 PolarHBondContact O-N 3.32Å; K643-D647 VanDerWaalsContact O-N 3.11Å; K643-S707 PolarHBondContact NZ-OG 3.24Å
644	F	93.1	Very high	94.4	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-51.8	-45.4	178.8	-173	-131.7	0	0	0	113.3	Q640 L641 R646 D647 W648 I651 I704 I708 L746 L770 L792 L794	Q640-F644 PolarHBondContact O-N 3.27Å; L641-F644 HydrophobicContact CD2-CD1 4.23Å; L641-F644 WeakPolarHBondContact O-CB 3.45Å; L641-F644 PolarHBondContact O-N 2.73Å; F644-R646 VanDerWaalsContact C-N 3.33Å; F644-R646 PolarHBondContact O-N 2.69Å; F644-D647 PolarHBondContact O-N 3.08Å; F644-W648 PolarHBondContact O-N 2.99Å; F644-I651 HydrophobicContact CD2-CD1 3.61Å; F644-I651 HydrophobicContact CE2-CD1 3.37Å; F644-I651 HydrophobicContact CZ-CD1 4.21Å; F644-I704 HydrophobicContact CD2-CG2 3.71Å; F644-I704 HydrophobicContact CE2-CG2 4.26Å; F644-I708 HydrophobicContact CB-CD1 3.62Å; F644-I708 HydrophobicContact CB-CG1 4.47Å; F644-I708 HydrophobicContact CD1-CD1 4.32Å; F644-I708 HydrophobicContact CD2-CD1 3.52Å; F644-I708 HydrophobicContact CE2-CD1 4.21Å; F644-I708 HydrophobicContact CG-CD1 3.58Å; F644-L746 HydrophobicContact CE1-CB 4.22Å; F644-L746 HydrophobicContact CE1-CD2 4.14Å; F644-L746 HydrophobicContact CE2-CD2 4.39Å; F644-L746 HydrophobicContact CZ-CD2 3.99Å; F644-L770 HydrophobicContact CD1-CD1 3.96Å; F644-L770 HydrophobicContact CD1-CD2 3.83Å; F644-L770 HydrophobicContact CD1-CG 4.45Å; F644-L770 HydrophobicContact CE1-CD2 3.8Å; F644-L792 HydrophobicContact CE2-CD2 3.83Å; F644-L792 HydrophobicContact CZ-CD2 3.56Å; F644-L792 HydrophobicContact CZ-CG 3.96Å; F644-L794 HydrophobicContact CD1-CD1 3.83Å; F644-L794 HydrophobicContact CD2-CD1 4.45Å; F644-L794 HydrophobicContact CE1-CD1 3.37Å; F644-L794 HydrophobicContact CE1-CG 3.82Å; F644-L794 HydrophobicContact CE2-CD1 4.03Å; F644-L794 HydrophobicContact CG-CD1 4.36Å; F644-L794 HydrophobicContact CZ-CD1 3.49Å; F644-L794 VanDerWaalsContact CZ-CD1 3.49Å; F644-L794 HydrophobicContact CZ-CD2 4.14Å; F644-L794 HydrophobicContact CZ-CG 3.77Å
645	E	95.7	Very high	94.5	Very high	32 Å²	32	61.9 Å²	61.9	15%	0.15	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-32.1	176.7	-165.6	177.8	115.1	0	0	112.5	M632 L641 K643 D647 W648 G768 R769 L770	M632-E645 WeakPolarHBondContact CE-OE2 3.34Å; L641-E645 PolarHBondContact O-N 3.23Å; K643-E645 VanDerWaalsContact C-N 3.32Å; K643-E645 PolarHBondContact O-N 3.31Å; E645-D647 VanDerWaalsContact C-N 3.34Å; E645-W648 WeakPolarHBondContact O-CB 3.3Å; E645-W648 PolarHBondContact O-N 3.43Å; E645-G768 WeakPolarHBondContact CG-O 3.3Å; E645-R769 WeakPolarHBondContact OE1-CD 3.33Å; E645-R769 IonicContact OE1-CZ 2.82Å; E645-R769 IonicContact OE1-NE 3.65Å; E645-R769 IonicContact OE1-NH1 2.7Å; E645-R769 PolarHBondContact OE1-NH1 3.1Å; E645-L770 HydrophobicContact CB-CD1 3.94Å; E645-L770 HydrophobicContact CB-CG 4.3Å; E645-L770 HydrophobicContact CG-CG 4.46Å; E645-L770 PolarHBondContact OE2-N 3.21Å
646	R	95.6	Very high	94.6	Very high	193 Å²	193	63.2 Å²	63.2	73%	0.728	28%	0.278	S	S	*	.	H	α-helix	trans	-68.2	-36.8	175.5	-68.5	163.5	-175.4	-179.7	-0	111.7	K642 K643 F644 W648	K642-R646 VanDerWaalsContact O-CD 3.23Å; K642-R646 WeakPolarHBondContact O-CD 3.5Å; K642-R646 VanDerWaalsContact O-CG 3.23Å; K642-R646 WeakPolarHBondContact O-CG 3.4Å; K642-R646 PolarHBondContact O-NE 2.97Å; K643-R646 WeakPolarHBondContact O-CA 3.21Å; K643-R646 WeakPolarHBondContact O-CB 3.37Å; K643-R646 PolarHBondContact O-N 2.92Å; F644-R646 VanDerWaalsContact C-N 3.33Å; F644-R646 PolarHBondContact O-N 2.69Å; R646-W648 PolarHBondContact O-N 2.94Å
647	D	95.4	Very high	94.8	Very high	50 Å²	50	64.5 Å²	64.5	27%	0.267	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	2.9	-177.3	-61.9	-28.4	0	0	0	113.3	K643 F644 E645 R649 L650 I651 I704	K643-D647 PolarHBondContact O-N 3.32Å; K643-D647 VanDerWaalsContact O-N 3.11Å; F644-D647 PolarHBondContact O-N 3.08Å; E645-D647 VanDerWaalsContact C-N 3.34Å; D647-R649 PolarHBondContact O-N 2.95Å; D647-L650 WeakPolarHBondContact O-CB 3.41Å; D647-L650 PolarHBondContact O-N 3.19Å; D647-I651 PolarHBondContact O-N 3.32Å; D647-I704 HydrophobicContact CB-CD1 3.96Å
648	W	96.1	Very high	95	Very high	60 Å²	60	64.6 Å²	64.6	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-49.9	-32.6	-176.6	79.9	-89.6	0	0	0	115.2	F644 E645 R646 R652 L746 L767	F644-W648 PolarHBondContact O-N 2.99Å; E645-W648 WeakPolarHBondContact O-CB 3.3Å; E645-W648 PolarHBondContact O-N 3.43Å; R646-W648 PolarHBondContact O-N 2.94Å; W648-R652 HydrophobicContact CE3-CB 4.4Å; W648-R652 VanDerWaalsContact O-CB 3.23Å; W648-R652 WeakPolarHBondContact O-CB 3.2Å; W648-R652 PolarHBondContact O-N 3.05Å; W648-L746 HydrophobicContact CB-CD1 4.23Å; W648-L746 HydrophobicContact CB-CD2 4.33Å; W648-L767 HydrophobicContact CE3-CD1 4.49Å; W648-L767 HydrophobicContact CE3-CG 4.5Å; W648-L767 HydrophobicContact CH2-CD2 4.12Å; W648-L767 HydrophobicContact CH2-CG 3.99Å; W648-L767 HydrophobicContact CZ3-CD1 3.87Å; W648-L767 HydrophobicContact CZ3-CD2 4.11Å; W648-L767 HydrophobicContact CZ3-CG 3.68Å
649	R	96.6	Very high	95	Very high	188 Å²	188	63.5 Å²	63.5	71%	0.709	27%	0.271	S	S	*	.	H	α-helix	trans	-67.2	-40.8	180	-66.7	-176.7	176.1	172.9	-1.1	111.8	D647 R652 E653	D647-R649 PolarHBondContact O-N 2.95Å; R649-R652 PolarHBondContact O-N 2.89Å; R649-E653 PolarHBondContact O-N 3.36Å
650	L	96.1	Very high	95.1	Very high	62 Å²	62	62 Å²	62	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-72	-42.4	179.8	-173.4	59.5	0	0	0	110.6	D647 R652 E653 E654 K700 I704	D647-L650 WeakPolarHBondContact O-CB 3.41Å; D647-L650 PolarHBondContact O-N 3.19Å; L650-R652 VanDerWaalsContact C-N 3.33Å; L650-R652 PolarHBondContact O-N 3.32Å; L650-E653 PolarHBondContact O-N 3.47Å; L650-E654 PolarHBondContact O-N 2.98Å; L650-K700 HydrophobicContact CD1-CD 3.67Å; L650-K700 HydrophobicContact CD2-CB 4.42Å; L650-K700 HydrophobicContact CD2-CD 4.1Å; L650-K700 HydrophobicContact CG-CB 4.49Å; L650-K700 HydrophobicContact CG-CD 4.02Å; L650-I704 HydrophobicContact CD2-CD1 4.27Å
651	I	96.7	Very high	95	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-55	-51.5	170.9	-63.7	165.9	0	0	0	109.4	F644 D647 E653 E654 S655 I701 I704 L746 V748 L792	F644-I651 HydrophobicContact CD2-CD1 3.61Å; F644-I651 HydrophobicContact CE2-CD1 3.37Å; F644-I651 HydrophobicContact CZ-CD1 4.21Å; D647-I651 PolarHBondContact O-N 3.32Å; I651-E653 PolarHBondContact O-N 2.86Å; I651-E654 PolarHBondContact O-N 3.42Å; I651-S655 WeakPolarHBondContact O-CB 3.5Å; I651-S655 PolarHBondContact O-N 3.45Å; I651-S655 PolarHBondContact O-OG 3.49Å; I651-I701 HydrophobicContact CB-CG1 4.49Å; I651-I701 HydrophobicContact CG1-CG1 4.49Å; I651-I701 HydrophobicContact CG2-CD1 4.04Å; I651-I701 HydrophobicContact CG2-CG1 4.3Å; I651-I704 HydrophobicContact CG1-CD1 4.01Å; I651-L746 HydrophobicContact CD1-CD2 3.72Å; I651-L746 HydrophobicContact CG2-CD2 4.21Å; I651-V748 HydrophobicContact CG2-CG2 4.02Å; I651-L792 HydrophobicContact CG2-CD2 3.63Å
652	R	96.6	Very high	94.8	Very high	96 Å²	96	69.5 Å²	69.5	36%	0.362	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-44.3	-179.4	175.4	178.2	-173.2	-83.7	-0.9	114.4	W648 R649 L650 E654 L656 V748	W648-R652 HydrophobicContact CE3-CB 4.4Å; W648-R652 VanDerWaalsContact O-CB 3.23Å; W648-R652 WeakPolarHBondContact O-CB 3.2Å; W648-R652 PolarHBondContact O-N 3.05Å; R649-R652 PolarHBondContact O-N 2.89Å; L650-R652 VanDerWaalsContact C-N 3.33Å; L650-R652 PolarHBondContact O-N 3.32Å; R652-E654 VanDerWaalsContact C-N 3.25Å; R652-E654 PolarHBondContact O-N 2.92Å; R652-L656 HydrophobicContact CG-CD1 3.72Å; R652-L656 HydrophobicContact CG-CG 4.36Å; R652-L656 WeakPolarHBondContact O-CB 3.5Å; R652-L656 VanDerWaalsContact O-CG 3.3Å; R652-L656 WeakPolarHBondContact O-CG 3.34Å; R652-L656 PolarHBondContact O-N 2.81Å; R652-V748 HydrophobicContact CB-CG1 3.98Å; R652-V748 WeakPolarHBondContact CD-O 3.44Å; R652-V748 HydrophobicContact CG-CG1 4.18Å; R652-V748 VanDerWaalsContact CG-O 3.24Å; R652-V748 WeakPolarHBondContact CG-O 3.36Å; R652-V748 PolarHBondContact NE-O 2.84Å
653	E	96.5	Very high	94.5	Very high	104 Å²	104	68 Å²	68	49%	0.486	32%	0.316	S	S	.	.	H	α-helix	trans	-56.6	-45.4	176.4	-171.4	-148.9	111.7	0	0	110.5	R649 L650 I651 R657	R649-E653 PolarHBondContact O-N 3.36Å; L650-E653 PolarHBondContact O-N 3.47Å; I651-E653 PolarHBondContact O-N 2.86Å; E653-R657 WeakPolarHBondContact O-CB 3.47Å; E653-R657 PolarHBondContact O-N 3.03Å; E653-R657 IonicContact OE1-CZ 3.18Å; E653-R657 IonicContact OE1-NH2 3.97Å; E653-R657 PolarHBondContact OE1-NH2 3.47Å; E653-R657 VanDerWaalsContact OE1-NH2 3.07Å
654	E	96.1	Very high	94.4	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-75.2	-41.8	-176.3	-172.6	143	-75.1	0	0	113.5	L650 I651 R652 L656 R657 V658 V698 P699 K700 I701	L650-E654 PolarHBondContact O-N 2.98Å; I651-E654 PolarHBondContact O-N 3.42Å; R652-E654 VanDerWaalsContact C-N 3.25Å; R652-E654 PolarHBondContact O-N 2.92Å; E654-L656 PolarHBondContact O-N 2.65Å; E654-R657 WeakPolarHBondContact O-CB 3.42Å; E654-R657 PolarHBondContact O-N 3.4Å; E654-R657 IonicContact OE1-CZ 4Å; E654-R657 IonicContact OE1-NH1 3.21Å; E654-R657 PolarHBondContact OE1-NH1 2.93Å; E654-R657 IonicContact OE1-NH2 3.07Å; E654-R657 PolarHBondContact OE1-NH2 3.38Å; E654-V658 PolarHBondContact O-N 3.21Å; E654-V698 HydrophobicContact CG-CB 3.84Å; E654-V698 HydrophobicContact CG-CG1 3.79Å; E654-V698 WeakPolarHBondContact OE2-CA 3.48Å; E654-P699 VanDerWaalsContact OE2-N 3.14Å; E654-K700 WeakPolarHBondContact OE2-CA 3.32Å; E654-K700 VanDerWaalsContact OE2-CB 3.28Å; E654-K700 WeakPolarHBondContact OE2-CB 3.19Å; E654-K700 PolarHBondContact OE2-N 3.39Å; E654-I701 HydrophobicContact CB-CD1 3.99Å; E654-I701 HydrophobicContact CB-CG1 4.07Å; E654-I701 HydrophobicContact CG-CD1 4.06Å; E654-I701 HydrophobicContact CG-CG1 4.06Å; E654-I701 PolarHBondContact OE2-N 3.03Å; E654-I701 VanDerWaalsContact OE2-N 3.13Å
655	S	96.1	Very high	94.2	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.4	-42.5	173.4	-57.9	0	0	0	0	112.2	I651 V658 W659 I701 L722	I651-S655 WeakPolarHBondContact O-CB 3.5Å; I651-S655 PolarHBondContact O-N 3.45Å; I651-S655 PolarHBondContact O-OG 3.49Å; S655-V658 VanDerWaalsContact O-CG1 3.28Å; S655-V658 WeakPolarHBondContact O-CG1 3.47Å; S655-W659 VanDerWaalsContact O-CB 3.32Å; S655-W659 WeakPolarHBondContact O-CB 3.46Å; S655-W659 PolarHBondContact O-N 3.39Å; S655-I701 VanDerWaalsContact OG-CD1 3.28Å; S655-I701 WeakPolarHBondContact OG-CD1 3.2Å; S655-L722 WeakPolarHBondContact OG-CD2 3.39Å
656	L	95.1	Very high	94	Very high	42 Å²	42	68.7 Å²	68.7	22%	0.22	34%	0.336	C	S	.	.	H	α-helix	trans	-69.6	-35.2	176.2	-70.9	171.8	0	0	0	111.8	R652 E654 N660 A749 L790	R652-L656 HydrophobicContact CG-CD1 3.72Å; R652-L656 HydrophobicContact CG-CG 4.36Å; R652-L656 WeakPolarHBondContact O-CB 3.5Å; R652-L656 VanDerWaalsContact O-CG 3.3Å; R652-L656 WeakPolarHBondContact O-CG 3.34Å; R652-L656 PolarHBondContact O-N 2.81Å; E654-L656 PolarHBondContact O-N 2.65Å; L656-N660 WeakPolarHBondContact O-CB 3.49Å; L656-N660 PolarHBondContact O-N 2.91Å; L656-N660 PolarHBondContact O-ND2 3.21Å; L656-A749 HydrophobicContact CD2-CB 4.18Å; L656-L790 HydrophobicContact CD2-CD2 4.2Å
657	R	95.7	Very high	93.7	Very high	100 Å²	100	64.5 Å²	64.5	38%	0.377	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-48.7	174.8	-162.4	-159.7	-46.8	131.1	3.8	111.4	E653 E654 A661	E653-R657 WeakPolarHBondContact O-CB 3.47Å; E653-R657 PolarHBondContact O-N 3.03Å; E653-R657 IonicContact OE1-CZ 3.18Å; E653-R657 IonicContact OE1-NH2 3.97Å; E653-R657 PolarHBondContact OE1-NH2 3.47Å; E653-R657 VanDerWaalsContact OE1-NH2 3.07Å; E654-R657 WeakPolarHBondContact O-CB 3.42Å; E654-R657 PolarHBondContact O-N 3.4Å; E654-R657 IonicContact OE1-CZ 4Å; E654-R657 IonicContact OE1-NH1 3.21Å; E654-R657 PolarHBondContact OE1-NH1 2.93Å; E654-R657 IonicContact OE1-NH2 3.07Å; E654-R657 PolarHBondContact OE1-NH2 3.38Å; R657-A661 VanDerWaalsContact O-CB 3.23Å; R657-A661 WeakPolarHBondContact O-CB 3.35Å; R657-A661 PolarHBondContact O-N 2.87Å; R657-A661 VanDerWaalsContact O-N 3.1Å
658	V	95.6	Very high	93.1	Very high	8 Å²	8	68.8 Å²	68.8	5%	0.048	34%	0.337	C	S	.	.	H	α-helix	trans	-70.4	-39.5	179.2	68	0	0	0	0	112	E654 S655 N660 A661 K662 F666 M681 L697 V698 L722	E654-V658 PolarHBondContact O-N 3.21Å; S655-V658 VanDerWaalsContact O-CG1 3.28Å; S655-V658 WeakPolarHBondContact O-CG1 3.47Å; V658-N660 PolarHBondContact O-N 2.91Å; V658-A661 PolarHBondContact O-N 3.08Å; V658-K662 HydrophobicContact CG2-CB 4.36Å; V658-K662 CarbonylContact O-C 3.44Å; V658-K662 VanDerWaalsContact O-C 3.25Å; V658-K662 WeakPolarHBondContact O-CA 3.22Å; V658-K662 PolarHBondContact O-N 3.28Å; V658-F666 HydrophobicContact CG1-CE2 4.11Å; V658-F666 HydrophobicContact CG1-CZ 4.17Å; V658-F666 HydrophobicContact CG2-CE2 4.42Å; V658-M681 HydrophobicContact CG1-CE 3.9Å; V658-M681 HydrophobicContact CG2-CE 3.97Å; V658-M681 HydrophobicContact CG2-SD 4.31Å; V658-L697 HydrophobicContact CG2-CB 3.77Å; V658-L697 HydrophobicContact CG2-CD1 3.94Å; V658-L697 HydrophobicContact CG2-CG 4.49Å; V658-V698 HydrophobicContact CB-CG1 3.87Å; V658-V698 HydrophobicContact CG1-CG1 3.52Å; V658-V698 HydrophobicContact CG2-CG1 4.42Å; V658-L722 HydrophobicContact CG1-CD1 4.4Å
659	W	93.4	Very high	92	Very high	24 Å²	24	66.9 Å²	66.9	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-59.9	-48.9	176.9	-179.6	-109.1	0	0	0	111.8	S655 S663 F666 K679 A724 W788 L790	S655-W659 VanDerWaalsContact O-CB 3.32Å; S655-W659 WeakPolarHBondContact O-CB 3.46Å; S655-W659 PolarHBondContact O-N 3.39Å; W659-S663 WeakPolarHBondContact O-CB 3.11Å; W659-S663 PolarHBondContact O-N 3.13Å; W659-F666 HydrophobicContact CE3-CD1 4.01Å; W659-F666 AromaticContact CE3-CD2 3.71Å; W659-F666 HydrophobicContact CE3-CD2 3.71Å; W659-F666 HydrophobicContact CE3-CE1 4.05Å; W659-F666 AromaticContact CE3-CE2 3.78Å; W659-F666 HydrophobicContact CE3-CE2 3.78Å; W659-F666 AromaticContact CE3-CG 3.85Å; W659-F666 HydrophobicContact CE3-CG 3.85Å; W659-F666 AromaticContact CE3-CZ 3.95Å; W659-F666 HydrophobicContact CE3-CZ 3.95Å; W659-F666 HydrophobicContact CZ3-CB 3.96Å; W659-F666 AromaticContact CZ3-CD1 3.96Å; W659-F666 HydrophobicContact CZ3-CD1 3.96Å; W659-F666 AromaticContact CZ3-CD2 3.97Å; W659-F666 HydrophobicContact CZ3-CD2 3.97Å; W659-F666 HydrophobicContact CZ3-CE1 4.44Å; W659-F666 HydrophobicContact CZ3-CE2 4.47Å; W659-F666 AromaticContact CZ3-CG 3.71Å; W659-F666 HydrophobicContact CZ3-CG 3.71Å; W659-K679 HydrophobicContact CH2-CD 4.43Å; W659-A724 HydrophobicContact CD2-CB 4.3Å; W659-A724 HydrophobicContact CE3-CB 3.74Å; W659-A724 HydrophobicContact CH2-CB 3.63Å; W659-A724 HydrophobicContact CZ2-CB 4.21Å; W659-A724 HydrophobicContact CZ3-CB 3.37Å; W659-W788 HydrophobicContact CH2-CD2 4.37Å; W659-W788 HydrophobicContact CH2-CE3 4.07Å; W659-W788 HydrophobicContact CH2-CH2 4.16Å; W659-W788 HydrophobicContact CH2-CZ2 4.43Å; W659-W788 AromaticContact CH2-CZ3 3.96Å; W659-W788 HydrophobicContact CH2-CZ3 3.96Å; W659-W788 AromaticContact CZ2-CD2 3.51Å; W659-W788 HydrophobicContact CZ2-CD2 3.51Å; W659-W788 AromaticContact CZ2-CE2 3.59Å; W659-W788 AromaticContact CZ2-CE3 3.64Å; W659-W788 HydrophobicContact CZ2-CE3 3.64Å; W659-W788 HydrophobicContact CZ2-CG 4.1Å; W659-W788 HydrophobicContact CZ2-CH2 4.01Å; W659-W788 AromaticContact CZ2-CZ2 3.86Å; W659-W788 HydrophobicContact CZ2-CZ2 3.86Å; W659-W788 AromaticContact CZ2-CZ3 3.89Å; W659-W788 HydrophobicContact CZ2-CZ3 3.89Å; W659-W788 AromaticContact NE1-CD1 3.96Å; W659-W788 AromaticContact NE1-CG 3.95Å; W659-L790 HydrophobicContact CB-CD1 4.44Å; W659-L790 HydrophobicContact CB-CD2 4.45Å; W659-L790 HydrophobicContact CD2-CD1 4.16Å; W659-L790 HydrophobicContact CE3-CD1 4.41Å; W659-L790 HydrophobicContact CG-CD1 4.15Å
660	N	92.6	Very high	90.3	Very high	127 Å²	127	63.7 Å²	63.7	68%	0.679	32%	0.324	S	S	*	.	H	α-helix	trans	-71.6	-31.9	-177.7	-67	-15.6	0	0	0	113.2	L656 V658	L656-N660 WeakPolarHBondContact O-CB 3.49Å; L656-N660 PolarHBondContact O-N 2.91Å; L656-N660 PolarHBondContact O-ND2 3.21Å; V658-N660 PolarHBondContact O-N 2.91Å
661	A	91.9	Very high	88.6	Confident	81 Å²	81	63.5 Å²	63.5	67%	0.669	33%	0.327	S	S	*	.	H	α-helix	trans	-95.2	-26.1	-176	0	0	0	0	0	114.4	R657 V658	R657-A661 VanDerWaalsContact O-CB 3.23Å; R657-A661 WeakPolarHBondContact O-CB 3.35Å; R657-A661 PolarHBondContact O-N 2.87Å; R657-A661 VanDerWaalsContact O-N 3.1Å; V658-A661 PolarHBondContact O-N 3.08Å
662	K	90.1	Very high	87.2	Confident	108 Å²	108	66.2 Å²	66.2	47%	0.47	34%	0.338	S	S	.	.	H	α-helix	trans	-150.1	50.8	-172.7	-66.9	-173.1	179.1	179.8	0	112	V658 S664 A665 L697	V658-K662 HydrophobicContact CG2-CB 4.36Å; V658-K662 CarbonylContact O-C 3.44Å; V658-K662 VanDerWaalsContact O-C 3.25Å; V658-K662 WeakPolarHBondContact O-CA 3.22Å; V658-K662 PolarHBondContact O-N 3.28Å; K662-S664 PolarHBondContact O-N 2.86Å; K662-A665 HydrophobicContact CB-CB 4.48Å; K662-A665 WeakPolarHBondContact O-CB 3.21Å; K662-A665 PolarHBondContact O-N 2.93Å; K662-L697 HydrophobicContact CD-CD1 4.09Å; K662-L697 HydrophobicContact CD-CD2 3.8Å; K662-L697 VanDerWaalsContact NZ-CD2 3.33Å
663	S	87.7	Confident	85.8	Confident	61 Å²	61	62.8 Å²	62.8	43%	0.427	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-54.8	-23.5	171.8	55.1	0	0	0	0	113.7	W659 A665 F666	W659-S663 WeakPolarHBondContact O-CB 3.11Å; W659-S663 PolarHBondContact O-N 3.13Å; S663-A665 PolarHBondContact O-N 2.91Å; S663-F666 WeakPolarHBondContact O-CB 3.48Å; S663-F666 PolarHBondContact O-N 3.45Å
664	S	89.1	Confident	84.5	Confident	115 Å²	115	62.1 Å²	62.1	80%	0.804	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-70.9	0.6	171.8	71.1	0	0	0	0	115.1	K662	K662-S664 PolarHBondContact O-N 2.86Å
665	A	90.2	Very high	83.2	Confident	13 Å²	13	64.8 Å²	64.8	11%	0.107	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-91	-2.6	166.8	0	0	0	0	0	112.5	K662 S663 M681 L697	K662-A665 HydrophobicContact CB-CB 4.48Å; K662-A665 WeakPolarHBondContact O-CB 3.21Å; K662-A665 PolarHBondContact O-N 2.93Å; S663-A665 PolarHBondContact O-N 2.91Å; A665-M681 HydrophobicContact CB-SD 3.77Å; A665-M681 VanDerWaalsContact O-CG 3.32Å; A665-M681 WeakPolarHBondContact O-CG 3.23Å; A665-L697 HydrophobicContact CB-CD1 3.69Å
666	F	91.1	Very high	82.4	Confident	10 Å²	10	66.9 Å²	66.9	4%	0.044	37%	0.368	C	S	.	.	S	Bend	trans	-101	118.3	172.6	-67.3	-114	0	0	0	109.1	V658 W659 S663 K679 Q680 M681 L722 A724	V658-F666 HydrophobicContact CG1-CE2 4.11Å; V658-F666 HydrophobicContact CG1-CZ 4.17Å; V658-F666 HydrophobicContact CG2-CE2 4.42Å; W659-F666 HydrophobicContact CE3-CD1 4.01Å; W659-F666 AromaticContact CE3-CD2 3.71Å; W659-F666 HydrophobicContact CE3-CD2 3.71Å; W659-F666 HydrophobicContact CE3-CE1 4.05Å; W659-F666 AromaticContact CE3-CE2 3.78Å; W659-F666 HydrophobicContact CE3-CE2 3.78Å; W659-F666 AromaticContact CE3-CG 3.85Å; W659-F666 HydrophobicContact CE3-CG 3.85Å; W659-F666 AromaticContact CE3-CZ 3.95Å; W659-F666 HydrophobicContact CE3-CZ 3.95Å; W659-F666 HydrophobicContact CZ3-CB 3.96Å; W659-F666 AromaticContact CZ3-CD1 3.96Å; W659-F666 HydrophobicContact CZ3-CD1 3.96Å; W659-F666 AromaticContact CZ3-CD2 3.97Å; W659-F666 HydrophobicContact CZ3-CD2 3.97Å; W659-F666 HydrophobicContact CZ3-CE1 4.44Å; W659-F666 HydrophobicContact CZ3-CE2 4.47Å; W659-F666 AromaticContact CZ3-CG 3.71Å; W659-F666 HydrophobicContact CZ3-CG 3.71Å; S663-F666 WeakPolarHBondContact O-CB 3.48Å; S663-F666 PolarHBondContact O-N 3.45Å; F666-K679 HydrophobicContact CB-CB 3.73Å; F666-Q680 CarbonylContact C-O 3.58Å; F666-Q680 VanDerWaalsContact CA-O 3.29Å; F666-Q680 WeakPolarHBondContact CA-O 3.39Å; F666-M681 HydrophobicContact CD1-CB 3.84Å; F666-M681 HydrophobicContact CD2-CB 4.14Å; F666-M681 HydrophobicContact CE1-CB 3.97Å; F666-M681 HydrophobicContact CE2-CB 4.25Å; F666-M681 HydrophobicContact CE2-CE 4.03Å; F666-M681 HydrophobicContact CE2-SD 4.28Å; F666-M681 HydrophobicContact CG-CB 3.92Å; F666-M681 HydrophobicContact CZ-CB 4.16Å; F666-M681 HydrophobicContact CZ-CE 4.03Å; F666-L722 HydrophobicContact CE1-CB 3.84Å; F666-L722 HydrophobicContact CZ-CB 4.17Å; F666-A724 HydrophobicContact CD1-CB 4.1Å; F666-A724 HydrophobicContact CE1-CB 4.26Å
667	E	88.9	Confident	81.9	Confident	104 Å²	104	66.4 Å²	66.4	49%	0.486	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146.2	179.5	-71.4	152	-168.7	0	0	109.8	K679 Q680	E667-K679 CarbonylContact O-C 3.53Å; E667-K679 WeakPolarHBondContact O-CA 3.42Å; E667-K679 WeakPolarHBondContact O-CB 3.47Å; E667-Q680 PolarHBondContact N-O 3.15Å; E667-Q680 PolarHBondContact O-N 2.99Å
668	R	82.4	Confident	81.6	Confident	141 Å²	141	62.6 Å²	62.6	53%	0.532	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	140.5	-173.8	-164	176.7	-167.2	-131.1	-3.5	111	E670 D677	R668-E670 WeakPolarHBondContact CD-OE1 3.28Å; R668-E670 HydrophobicContact CG-CG 4.06Å; R668-E670 IonicContact CZ-OE1 2.76Å; R668-E670 IonicContact NE-OE1 3.68Å; R668-E670 IonicContact NH1-OE1 3.37Å; R668-E670 PolarHBondContact NH1-OE1 3.43Å; R668-D677 IonicContact CZ-OD1 3.5Å; R668-D677 IonicContact NE-OD1 2.73Å; R668-D677 PolarHBondContact NE-OD1 2.88Å; R668-D677 IonicContact NH2-OD1 3.49Å; R668-D677 PolarHBondContact NH2-OD1 3.13Å
669	V	74.5	Confident	81.5	Confident	19 Å²	19	65.1 Å²	65.1	12%	0.115	36%	0.363	C	S	.	.			trans	-110.6	108.7	176.2	-175.8	0	0	0	0	108.3	Y672 V673 Q678 Q680	V669-Y672 HydrophobicContact CG1-CD2 4.05Å; V669-V673 WeakPolarHBondContact O-CG2 3.22Å; V669-Q678 HydrophobicContact CB-CB 4.49Å; V669-Q678 HydrophobicContact CB-CG 4.36Å; V669-Q678 PolarHBondContact N-O 2.85Å; V669-Q680 HydrophobicContact CG2-CB 4.14Å; V669-Q680 HydrophobicContact CG2-CG 3.64Å
670	E	59.7	Low	81.6	Confident	121 Å²	121	66.1 Å²	66.1	57%	0.565	37%	0.368	S	S	*	.			trans	-100.2	-40	-174.5	-57.3	-165.2	151.5	0	0	115.3	R668 Y672 V673	R668-E670 WeakPolarHBondContact CD-OE1 3.28Å; R668-E670 HydrophobicContact CG-CG 4.06Å; R668-E670 IonicContact CZ-OE1 2.76Å; R668-E670 IonicContact NE-OE1 3.68Å; R668-E670 IonicContact NH1-OE1 3.37Å; R668-E670 PolarHBondContact NH1-OE1 3.43Å; E670-Y672 VanDerWaalsContact C-N 3.32Å; E670-Y672 PolarHBondContact O-N 2.95Å; E670-Y672 VanDerWaalsContact O-N 3.15Å; E670-V673 PolarHBondContact O-N 2.69Å
671	P	61	Low	81.7	Confident	58 Å²	58	60 Å²	60	38%	0.377	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.7	-169.9	-29.3	36.6	0	0	0	116.2	E70 R590	E70-P671 WeakPolarHBondContact OE1-CB 3.38Å; E70-P671 VanDerWaalsContact OE1-CG 3.28Å; E70-P671 WeakPolarHBondContact OE1-CG 3.46Å; R590-P671 PolarHBondContact NH2-O 3.5Å
672	Y	66.1	Low	81.9	Confident	58 Å²	58	56.9 Å²	56.9	23%	0.227	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-7.5	-170.5	-55.2	-62.8	0	0	0	114.7	E70 V669 E670 T731 W732 H734	E70-Y672 VanDerWaalsContact CD-OH 3.23Å; E70-Y672 PolarHBondContact OE1-OH 3.26Å; V669-Y672 HydrophobicContact CG1-CD2 4.05Å; E670-Y672 VanDerWaalsContact C-N 3.32Å; E670-Y672 PolarHBondContact O-N 2.95Å; E670-Y672 VanDerWaalsContact O-N 3.15Å; Y672-T731 CarbonylContact O-C 3.45Å; Y672-T731 WeakPolarHBondContact O-CA 3.1Å; Y672-T731 VanDerWaalsContact O-CB 3.29Å; Y672-T731 WeakPolarHBondContact O-CB 3.45Å; Y672-W732 PolarHBondContact O-N 3.24Å; Y672-H734 HydrophobicContact CD1-CB 3.87Å; Y672-H734 AromaticContact CD1-CD2 3.68Å; Y672-H734 AromaticContact CD1-CG 3.63Å; Y672-H734 HydrophobicContact CE1-CB 4.04Å; Y672-H734 AromaticContact CE1-CD2 3.82Å
673	V	68.1	Low	82.2	Confident	24 Å²	24	51.8 Å²	51.8	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.4	-175	177.7	0	0	0	0	110.7	V669 E670 A675 Q678 T729 W732	V669-V673 WeakPolarHBondContact O-CG2 3.22Å; E670-V673 PolarHBondContact O-N 2.69Å; V673-A675 WeakPolarHBondContact CG1-O 3.22Å; V673-Q678 HydrophobicContact CG2-CB 3.81Å; V673-T729 HydrophobicContact CG1-CG2 3.9Å; V673-T729 HydrophobicContact CG2-CG2 4.49Å; V673-W732 PolarHBondContact O-NE1 3.07Å; V673-W732 VanDerWaalsContact O-NE1 3.13Å
674	E	69.2	Low	82.5	Confident	90 Å²	90	49.9 Å²	49.9	42%	0.421	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-49.7	172.4	173.5	170.1	-178.6	0	0	111	E730 W732	E674-E730 PolarHBondContact N-O 3.32Å; E674-W732 HydrophobicContact CB-CD2 3.94Å; E674-W732 HydrophobicContact CB-CE3 4.44Å; E674-W732 HydrophobicContact CB-CG 4.29Å; E674-W732 HydrophobicContact CB-CH2 4.41Å; E674-W732 HydrophobicContact CB-CZ2 3.91Å; E674-W732 HydrophobicContact CG-CD2 4.31Å; E674-W732 HydrophobicContact CG-CE3 4.44Å; E674-W732 HydrophobicContact CG-CH2 3.75Å; E674-W732 HydrophobicContact CG-CZ2 3.6Å; E674-W732 HydrophobicContact CG-CZ3 4.17Å
675	A	67.9	Low	82.4	Confident	57 Å²	57	48.7 Å²	48.7	47%	0.471	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152	172.4	0	0	0	0	0	108.8	V673 T729 E730	V673-A675 WeakPolarHBondContact CG1-O 3.22Å; A675-T729 WeakPolarHBondContact O-CA 3.34Å; A675-T729 WeakPolarHBondContact O-CG2 3.38Å; A675-E730 PolarHBondContact O-N 2.85Å
676	G	80.2	Confident	82	Confident	44 Å²	44	50.2 Å²	50.2	45%	0.454	26%	0.259	S	S	.	.	S	Bend	trans	105	-147.2	175.7	0	0	0	0	0	114.5	T729	G676-T729 WeakPolarHBondContact CA-OG1 3.26Å
677	D	84.9	Confident	81.4	Confident	31 Å²	31	51.6 Å²	51.6	17%	0.166	27%	0.27	C	S	.	.			trans	-147.9	130	-178.7	-165.8	46.5	0	0	0	111.1	R668 K679 Y726 T729	R668-D677 IonicContact CZ-OD1 3.5Å; R668-D677 IonicContact NE-OD1 2.73Å; R668-D677 PolarHBondContact NE-OD1 2.88Å; R668-D677 IonicContact NH2-OD1 3.49Å; R668-D677 PolarHBondContact NH2-OD1 3.13Å; D677-K679 WeakPolarHBondContact OD2-CE 3.48Å; D677-K679 IonicContact OD2-NZ 2.69Å; D677-Y726 PolarHBondContact O-N 3.04Å; D677-T729 PolarHBondContact N-OG1 2.89Å; D677-T729 VanDerWaalsContact N-OG1 3.15Å
678	Q	89.9	Confident	81.2	Confident	21 Å²	21	48.1 Å²	48.1	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	139.7	177.6	-174.1	169.1	41	0	0	110.6	V669 V673 V723 A724 T725	V669-Q678 HydrophobicContact CB-CB 4.49Å; V669-Q678 HydrophobicContact CB-CG 4.36Å; V669-Q678 PolarHBondContact N-O 2.85Å; V673-Q678 HydrophobicContact CG2-CB 3.81Å; Q678-V723 HydrophobicContact CG-CG1 3.99Å; Q678-V723 VanDerWaalsContact NE2-CG1 3.33Å; Q678-A724 CarbonylContact C-O 3.57Å; Q678-A724 WeakPolarHBondContact CA-O 3.41Å; Q678-T725 PolarHBondContact NE2-OG1 3Å; Q678-T725 VanDerWaalsContact NE2-OG1 3.14Å
679	K	93.3	Very high	81.4	Confident	61 Å²	61	43.6 Å²	43.6	27%	0.265	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	152.6	178.6	-46.5	-169	-172.4	-171	0	110.7	W659 F666 E667 D677 A724	W659-K679 HydrophobicContact CH2-CD 4.43Å; F666-K679 HydrophobicContact CB-CB 3.73Å; E667-K679 CarbonylContact O-C 3.53Å; E667-K679 WeakPolarHBondContact O-CA 3.42Å; E667-K679 WeakPolarHBondContact O-CB 3.47Å; D677-K679 WeakPolarHBondContact OD2-CE 3.48Å; D677-K679 IonicContact OD2-NZ 2.69Å; K679-A724 PolarHBondContact N-O 3.27Å; K679-A724 PolarHBondContact O-N 2.87Å
680	Q	94.4	Very high	82.2	Confident	44 Å²	44	47.2 Å²	47.2	21%	0.206	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.1	177.7	69.9	-176.1	11.2	0	0	112.4	F666 E667 V669 L722 V723	F666-Q680 CarbonylContact C-O 3.58Å; F666-Q680 VanDerWaalsContact CA-O 3.29Å; F666-Q680 WeakPolarHBondContact CA-O 3.39Å; E667-Q680 PolarHBondContact N-O 3.15Å; E667-Q680 PolarHBondContact O-N 2.99Å; V669-Q680 HydrophobicContact CG2-CB 4.14Å; V669-Q680 HydrophobicContact CG2-CG 3.64Å; Q680-L722 CarbonylContact C-O 3.58Å; Q680-L722 VanDerWaalsContact CA-O 3.24Å; Q680-L722 WeakPolarHBondContact CA-O 3.18Å; Q680-V723 HydrophobicContact CB-CG2 4.16Å
681	M	95.4	Very high	83.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	107.5	169.5	-177.2	177.4	61.7	0	0	108.4	V658 A665 F666 L683 N694 L697 V698 L722	V658-M681 HydrophobicContact CG1-CE 3.9Å; V658-M681 HydrophobicContact CG2-CE 3.97Å; V658-M681 HydrophobicContact CG2-SD 4.31Å; A665-M681 HydrophobicContact CB-SD 3.77Å; A665-M681 VanDerWaalsContact O-CG 3.32Å; A665-M681 WeakPolarHBondContact O-CG 3.23Å; F666-M681 HydrophobicContact CD1-CB 3.84Å; F666-M681 HydrophobicContact CD2-CB 4.14Å; F666-M681 HydrophobicContact CE1-CB 3.97Å; F666-M681 HydrophobicContact CE2-CB 4.25Å; F666-M681 HydrophobicContact CE2-CE 4.03Å; F666-M681 HydrophobicContact CE2-SD 4.28Å; F666-M681 HydrophobicContact CG-CB 3.92Å; F666-M681 HydrophobicContact CZ-CB 4.16Å; F666-M681 HydrophobicContact CZ-CE 4.03Å; M681-L683 HydrophobicContact CE-CD2 4.04Å; M681-L683 HydrophobicContact CG-CD2 4.5Å; M681-N694 HydrophobicContact CG-CB 4.01Å; M681-N694 HydrophobicContact SD-CB 4.15Å; M681-L697 HydrophobicContact SD-CD1 4.12Å; M681-V698 HydrophobicContact CE-CG1 4.22Å; M681-V698 HydrophobicContact CE-CG2 4.32Å; M681-L722 HydrophobicContact CE-CD1 3.81Å; M681-L722 PolarHBondContact N-O 2.65Å; M681-L722 PolarHBondContact O-N 3.3Å
682	T	94.9	Very high	85.5	Confident	15 Å²	15	47.5 Å²	47.5	9%	0.092	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130.9	177.7	-57.5	0	0	0	0	110.6	F684 F685 N694 R721	T682-F684 VanDerWaalsContact CG2-O 3.26Å; T682-F684 WeakPolarHBondContact CG2-O 3.3Å; T682-F685 HydrophobicContact CG2-CD1 4.29Å; T682-N694 WeakPolarHBondContact O-CB 3.31Å; T682-N694 PolarHBondContact O-ND2 3Å; T682-R721 HydrophobicContact CG2-CG 4.31Å
683	L	96.4	Very high	86.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-37	-179.4	-58.3	-172.9	0	0	0	111.6	M681 H691 N694 C695 V698 I701 I705 A720 L722 L792	M681-L683 HydrophobicContact CE-CD2 4.04Å; M681-L683 HydrophobicContact CG-CD2 4.5Å; L683-H691 WeakPolarHBondContact O-CB 3.44Å; L683-H691 PolarHBondContact O-N 2.85Å; L683-N694 HydrophobicContact CD2-CB 4.3Å; L683-C695 PolarHBondContact O-SG 3.06Å; L683-C695 VanDerWaalsContact O-SG 3.33Å; L683-V698 HydrophobicContact CD1-CG2 4Å; L683-V698 HydrophobicContact CD2-CG2 3.43Å; L683-V698 VanDerWaalsContact CD2-CG2 3.43Å; L683-V698 HydrophobicContact CG-CG2 4.37Å; L683-I701 HydrophobicContact CD1-CG2 3.69Å; L683-I705 HydrophobicContact CD1-CD1 4.06Å; L683-A720 HydrophobicContact CB-CB 4.41Å; L683-A720 PolarHBondContact N-O 3.02Å; L683-L722 HydrophobicContact CD1-CD1 4.29Å; L683-L722 HydrophobicContact CD1-CG 4.16Å; L683-L792 HydrophobicContact CD1-CD1 4.27Å
684	F	94.1	Very high	88.2	Confident	21 Å²	21	50.5 Å²	50.5	9%	0.092	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.8	173.1	-68.8	-105.4	0	0	0	107	T682 A689 M690 C702 I705 E719 A720	T682-F684 VanDerWaalsContact CG2-O 3.26Å; T682-F684 WeakPolarHBondContact CG2-O 3.3Å; F684-A689 CarbonylContact C-O 3.58Å; F684-A689 VanDerWaalsContact CA-O 3.31Å; F684-A689 WeakPolarHBondContact CA-O 3.16Å; F684-M690 HydrophobicContact CD1-CB 4.04Å; F684-M690 HydrophobicContact CD1-CG 4.47Å; F684-M690 HydrophobicContact CE1-CB 3.81Å; F684-M690 HydrophobicContact CE1-CG 4.03Å; F684-M690 HydrophobicContact CZ-CB 4.35Å; F684-M690 HydrophobicContact CZ-CG 4.05Å; F684-C702 HydrophobicContact CE2-CB 3.94Å; F684-C702 HydrophobicContact CZ-CB 4.2Å; F684-I705 HydrophobicContact CD2-CB 4.46Å; F684-I705 HydrophobicContact CD2-CD1 4.38Å; F684-I705 HydrophobicContact CD2-CG2 3.84Å; F684-I705 HydrophobicContact CE2-CB 3.79Å; F684-I705 HydrophobicContact CE2-CD1 4.14Å; F684-I705 HydrophobicContact CE2-CG2 3.55Å; F684-I705 HydrophobicContact CG-CG2 4.49Å; F684-I705 HydrophobicContact CZ-CB 4.22Å; F684-I705 HydrophobicContact CZ-CG2 3.95Å; F684-E719 WeakPolarHBondContact O-CG 3.41Å; F684-A720 HydrophobicContact CB-CB 4.26Å; F684-A720 HydrophobicContact CD2-CB 4.01Å; F684-A720 PolarHBondContact N-O 3.39Å; F684-A720 PolarHBondContact O-N 3.37Å
685	F	88.8	Confident	89.5	Confident	91 Å²	91	46.5 Å²	46.5	40%	0.399	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	157.1	174.1	-59.4	-74.9	0	0	0	110.5	T682 S687 G688 A689 H691 A718	T682-F685 HydrophobicContact CG2-CD1 4.29Å; F685-S687 PolarHBondContact O-N 3.24Å; F685-G688 PolarHBondContact O-N 2.99Å; F685-A689 HydrophobicContact CD2-CB 4.3Å; F685-A689 WeakPolarHBondContact CD2-O 3.37Å; F685-A689 PolarHBondContact N-O 2.9Å; F685-H691 HydrophobicContact CD2-CB 4.4Å; F685-H691 AromaticContact CE1-CD2 3.56Å; F685-H691 HydrophobicContact CE2-CB 3.85Å; F685-H691 AromaticContact CE2-CD2 3.92Å; F685-H691 AromaticContact CE2-CG 3.95Å; F685-H691 HydrophobicContact CZ-CB 4.03Å; F685-H691 AromaticContact CZ-CD2 3.17Å; F685-H691 WeakPolarHBondContact CZ-CD2 3.47Å; F685-H691 AromaticContact CZ-CG 3.67Å; F685-H691 AromaticContact CZ-NE2 3.78Å; F685-A718 CarbonylContact C-O 3.42Å
686	P	80.8	Confident	90.8	Very high	45 Å²	45	47.5 Å²	47.5	29%	0.292	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-14.4	-175.3	-30	36.2	0	0	0	117.4	G688 A718 E719	P686-G688 PolarHBondContact O-N 3.26Å; P686-A718 CarbonylContact C-O 3.48Å; P686-A718 WeakPolarHBondContact CA-O 3.22Å; P686-E719 HydrophobicContact CG-CB 4.33Å; P686-E719 HydrophobicContact CG-CG 3.91Å
687	S	79.2	Confident	91.6	Very high	39 Å²	39	47.1 Å²	47.1	27%	0.273	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4	171.8	56.2	0	0	0	0	114.5	F685 A689 N810	F685-S687 PolarHBondContact O-N 3.24Å; S687-A689 PolarHBondContact O-N 3.32Å; S687-A689 WeakPolarHBondContact OG-CB 3.4Å; S687-N810 VanDerWaalsContact CA-OD1 3.29Å; S687-N810 WeakPolarHBondContact CA-OD1 3.16Å; S687-N810 PolarHBondContact O-ND2 2.83Å; S687-N810 PolarHBondContact O-OD1 3.39Å
688	G	83.2	Confident	92.2	Very high	30 Å²	30	45.7 Å²	45.7	31%	0.309	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	3.8	-168.3	0	0	0	0	0	114.4	F685 P686 A718	F685-G688 PolarHBondContact O-N 2.99Å; P686-G688 PolarHBondContact O-N 3.26Å; G688-A718 WeakPolarHBondContact CA-O 3.37Å; G688-A718 PolarHBondContact N-O 3.41Å
689	A	87.2	Confident	92.5	Very high	46 Å²	46	48 Å²	48	38%	0.38	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.2	-176.4	0	0	0	0	0	112.2	F684 F685 S687 H691	F684-A689 CarbonylContact C-O 3.58Å; F684-A689 VanDerWaalsContact CA-O 3.31Å; F684-A689 WeakPolarHBondContact CA-O 3.16Å; F685-A689 HydrophobicContact CD2-CB 4.3Å; F685-A689 WeakPolarHBondContact CD2-O 3.37Å; F685-A689 PolarHBondContact N-O 2.9Å; S687-A689 PolarHBondContact O-N 3.32Å; S687-A689 WeakPolarHBondContact OG-CB 3.4Å; A689-H691 PolarHBondContact O-N 2.7Å
690	M	92.5	Very high	92.7	Very high	95 Å²	95	49 Å²	49	47%	0.468	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	129.6	-179.2	-171.6	-176.5	66.1	0	0	112.3	F684 E692 C695 C702	F684-M690 HydrophobicContact CD1-CB 4.04Å; F684-M690 HydrophobicContact CD1-CG 4.47Å; F684-M690 HydrophobicContact CE1-CB 3.81Å; F684-M690 HydrophobicContact CE1-CG 4.03Å; F684-M690 HydrophobicContact CZ-CB 4.35Å; F684-M690 HydrophobicContact CZ-CG 4.05Å; M690-E692 HydrophobicContact CE-CG 4.2Å; M690-E692 PolarHBondContact O-N 3.2Å; M690-C695 HydrophobicContact CG-CB 3.98Å; M690-C695 WeakPolarHBondContact CG-SG 3.24Å; M690-C695 HydrophobicContact SD-CB 3.91Å; M690-C702 HydrophobicContact SD-CB 4.47Å
691	H	94.3	Very high	92.8	Very high	35 Å²	35	47 Å²	47	16%	0.162	26%	0.262	C	S	.	.			trans	-81	80.7	174.3	-169	-36.5	0	0	0	110.6	L683 F685 A689 K693 N694 C695	L683-H691 WeakPolarHBondContact O-CB 3.44Å; L683-H691 PolarHBondContact O-N 2.85Å; F685-H691 HydrophobicContact CD2-CB 4.4Å; F685-H691 AromaticContact CE1-CD2 3.56Å; F685-H691 HydrophobicContact CE2-CB 3.85Å; F685-H691 AromaticContact CE2-CD2 3.92Å; F685-H691 AromaticContact CE2-CG 3.95Å; F685-H691 HydrophobicContact CZ-CB 4.03Å; F685-H691 AromaticContact CZ-CD2 3.17Å; F685-H691 WeakPolarHBondContact CZ-CD2 3.47Å; F685-H691 AromaticContact CZ-CG 3.67Å; F685-H691 AromaticContact CZ-NE2 3.78Å; A689-H691 PolarHBondContact O-N 2.7Å; H691-K693 PolarHBondContact O-N 2.74Å; H691-K693 VanDerWaalsContact O-N 3.09Å; H691-N694 HydrophobicContact CB-CB 4.39Å; H691-N694 PolarHBondContact CD2-ND2 3.09Å; H691-N694 PolarHBondContact NE2-ND2 3.33Å; H691-N694 PolarHBondContact O-N 3.43Å; H691-C695 PolarHBondContact O-N 3.35Å
692	E	95.2	Very high	92.8	Very high	150 Å²	150	47.2 Å²	47.2	70%	0.701	26%	0.264	S	S	*	.	H	α-helix	trans	-38.5	-55	-174.1	-62.3	-174.2	160.5	0	0	115	M690 N694 C695 A696	M690-E692 HydrophobicContact CE-CG 4.2Å; M690-E692 PolarHBondContact O-N 3.2Å; E692-N694 VanDerWaalsContact C-N 3.26Å; E692-N694 PolarHBondContact O-N 3.19Å; E692-C695 PolarHBondContact O-N 2.89Å; E692-A696 WeakPolarHBondContact O-CB 3.32Å; E692-A696 PolarHBondContact O-N 2.72Å
693	K	95.2	Very high	92.8	Very high	144 Å²	144	53.2 Å²	53.2	63%	0.626	29%	0.291	S	S	*	.	H	α-helix	trans	-54.2	-37.2	180	176.8	-162.9	167.4	-152	0	113.5	H691	H691-K693 PolarHBondContact O-N 2.74Å; H691-K693 VanDerWaalsContact O-N 3.09Å
694	N	95.5	Very high	92.7	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-89.1	-40.1	-175.4	-65.5	-1.6	0	0	0	110.3	M681 T682 L683 H691 E692 A696 L697 V698	M681-N694 HydrophobicContact CG-CB 4.01Å; M681-N694 HydrophobicContact SD-CB 4.15Å; T682-N694 WeakPolarHBondContact O-CB 3.31Å; T682-N694 PolarHBondContact O-ND2 3Å; L683-N694 HydrophobicContact CD2-CB 4.3Å; H691-N694 HydrophobicContact CB-CB 4.39Å; H691-N694 PolarHBondContact CD2-ND2 3.09Å; H691-N694 PolarHBondContact NE2-ND2 3.33Å; H691-N694 PolarHBondContact O-N 3.43Å; E692-N694 VanDerWaalsContact C-N 3.26Å; E692-N694 PolarHBondContact O-N 3.19Å; N694-A696 PolarHBondContact O-N 3.14Å; N694-L697 WeakPolarHBondContact O-CA 3.44Å; N694-L697 VanDerWaalsContact O-CB 3.29Å; N694-L697 WeakPolarHBondContact O-CB 3.42Å; N694-L697 PolarHBondContact O-N 2.85Å; N694-V698 PolarHBondContact O-N 3.44Å
695	C	96.4	Very high	92.7	Very high	7 Å²	7	53 Å²	53	5%	0.047	29%	0.29	C	S	.	.	H	α-helix	trans	-62.4	-28.8	170.5	-76.8	0	0	0	0	113.2	L683 M690 H691 E692 L697 V698 P699 C702	L683-C695 PolarHBondContact O-SG 3.06Å; L683-C695 VanDerWaalsContact O-SG 3.33Å; M690-C695 HydrophobicContact CG-CB 3.98Å; M690-C695 WeakPolarHBondContact CG-SG 3.24Å; M690-C695 HydrophobicContact SD-CB 3.91Å; H691-C695 PolarHBondContact O-N 3.35Å; E692-C695 PolarHBondContact O-N 2.89Å; C695-L697 PolarHBondContact O-N 2.98Å; C695-V698 CarbonylContact O-C 3.25Å; C695-V698 PolarHBondContact O-N 3.36Å; C695-V698 VanDerWaalsContact O-N 3.09Å; C695-P699 VanDerWaalsContact O-CA 3.25Å; C695-P699 WeakPolarHBondContact O-CA 3.45Å; C695-C702 WeakPolarHBondContact CA-SG 3.25Å; C695-C702 HydrophobicContact CB-CB 3.65Å; C695-C702 WeakPolarHBondContact CB-SG 3.34Å; C695-C702 WeakPolarHBondContact SG-CB 3.42Å; C695-C702 CovalentContact SG-SG 2.04Å; C695-C702 PolarHBondContact SG-SG 2.89Å
696	A	96.2	Very high	92.9	Very high	77 Å²	77	51.3 Å²	51.3	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-14	169.7	0	0	0	0	0	114	E692 N694	E692-A696 WeakPolarHBondContact O-CB 3.32Å; E692-A696 PolarHBondContact O-N 2.72Å; N694-A696 PolarHBondContact O-N 3.14Å
697	L	96.2	Very high	93.3	Very high	37 Å²	37	51.2 Å²	51.2	19%	0.194	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-26.6	171.6	-51	-176.4	0	0	0	112.6	V658 K662 A665 M681 N694 C695	V658-L697 HydrophobicContact CG2-CB 3.77Å; V658-L697 HydrophobicContact CG2-CD1 3.94Å; V658-L697 HydrophobicContact CG2-CG 4.49Å; K662-L697 HydrophobicContact CD-CD1 4.09Å; K662-L697 HydrophobicContact CD-CD2 3.8Å; K662-L697 VanDerWaalsContact NZ-CD2 3.33Å; A665-L697 HydrophobicContact CB-CD1 3.69Å; M681-L697 HydrophobicContact SD-CD1 4.12Å; N694-L697 WeakPolarHBondContact O-CA 3.44Å; N694-L697 VanDerWaalsContact O-CB 3.29Å; N694-L697 WeakPolarHBondContact O-CB 3.42Å; N694-L697 PolarHBondContact O-N 2.85Å; C695-L697 PolarHBondContact O-N 2.98Å
698	V	96.8	Very high	93.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-132.8	59.2	-177.5	-64.5	0	0	0	0	112.5	E654 V658 M681 L683 N694 C695 K700 I701 C702 L722	E654-V698 HydrophobicContact CG-CB 3.84Å; E654-V698 HydrophobicContact CG-CG1 3.79Å; E654-V698 WeakPolarHBondContact OE2-CA 3.48Å; V658-V698 HydrophobicContact CB-CG1 3.87Å; V658-V698 HydrophobicContact CG1-CG1 3.52Å; V658-V698 HydrophobicContact CG2-CG1 4.42Å; M681-V698 HydrophobicContact CE-CG1 4.22Å; M681-V698 HydrophobicContact CE-CG2 4.32Å; L683-V698 HydrophobicContact CD1-CG2 4Å; L683-V698 HydrophobicContact CD2-CG2 3.43Å; L683-V698 VanDerWaalsContact CD2-CG2 3.43Å; L683-V698 HydrophobicContact CG-CG2 4.37Å; N694-V698 PolarHBondContact O-N 3.44Å; C695-V698 CarbonylContact O-C 3.25Å; C695-V698 PolarHBondContact O-N 3.36Å; C695-V698 VanDerWaalsContact O-N 3.09Å; V698-K700 PolarHBondContact O-N 3.4Å; V698-I701 HydrophobicContact CB-CB 4.09Å; V698-I701 HydrophobicContact CB-CD1 3.97Å; V698-I701 HydrophobicContact CB-CG1 4.18Å; V698-I701 HydrophobicContact CG1-CD1 4.16Å; V698-I701 HydrophobicContact CG2-CB 4.3Å; V698-I701 PolarHBondContact O-N 2.74Å; V698-C702 PolarHBondContact O-N 3.33Å; V698-C702 VanDerWaalsContact O-N 3.12Å; V698-L722 HydrophobicContact CG1-CD1 4.22Å; V698-L722 HydrophobicContact CG2-CD1 4.49Å
699	P	96.9	Very high	93.8	Very high	71 Å²	71	50 Å²	50	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-35.9	-167.8	25.3	-35.3	0	0	0	113.8	E654 C695 C702 E703	E654-P699 VanDerWaalsContact OE2-N 3.14Å; C695-P699 VanDerWaalsContact O-CA 3.25Å; C695-P699 WeakPolarHBondContact O-CA 3.45Å; P699-C702 PolarHBondContact O-N 3.26Å; P699-E703 WeakPolarHBondContact O-CB 3.33Å; P699-E703 PolarHBondContact O-N 2.98Å
700	K	96.3	Very high	93.5	Very high	81 Å²	81	50 Å²	50	35%	0.352	28%	0.275	S	S	.	.	H	α-helix	trans	-72.3	-35.3	179.2	-51.1	-178	-173.6	175.9	0	111	L650 E654 V698 E703 I704	L650-K700 HydrophobicContact CD1-CD 3.67Å; L650-K700 HydrophobicContact CD2-CB 4.42Å; L650-K700 HydrophobicContact CD2-CD 4.1Å; L650-K700 HydrophobicContact CG-CB 4.49Å; L650-K700 HydrophobicContact CG-CD 4.02Å; E654-K700 WeakPolarHBondContact OE2-CA 3.32Å; E654-K700 VanDerWaalsContact OE2-CB 3.28Å; E654-K700 WeakPolarHBondContact OE2-CB 3.19Å; E654-K700 PolarHBondContact OE2-N 3.39Å; V698-K700 PolarHBondContact O-N 3.4Å; K700-E703 PolarHBondContact O-N 3.21Å; K700-I704 WeakPolarHBondContact O-CB 3.4Å; K700-I704 WeakPolarHBondContact O-CD1 3.33Å; K700-I704 WeakPolarHBondContact O-CG1 3.25Å; K700-I704 PolarHBondContact O-N 2.78Å
701	I	96.8	Very high	92.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-62.1	-47.5	173.5	-60.4	-176.2	0	0	0	109.8	I651 E654 S655 L683 V698 I704 I705 L722 L792	I651-I701 HydrophobicContact CB-CG1 4.49Å; I651-I701 HydrophobicContact CG1-CG1 4.49Å; I651-I701 HydrophobicContact CG2-CD1 4.04Å; I651-I701 HydrophobicContact CG2-CG1 4.3Å; E654-I701 HydrophobicContact CB-CD1 3.99Å; E654-I701 HydrophobicContact CB-CG1 4.07Å; E654-I701 HydrophobicContact CG-CD1 4.06Å; E654-I701 HydrophobicContact CG-CG1 4.06Å; E654-I701 PolarHBondContact OE2-N 3.03Å; E654-I701 VanDerWaalsContact OE2-N 3.13Å; S655-I701 VanDerWaalsContact OG-CD1 3.28Å; S655-I701 WeakPolarHBondContact OG-CD1 3.2Å; L683-I701 HydrophobicContact CD1-CG2 3.69Å; V698-I701 HydrophobicContact CB-CB 4.09Å; V698-I701 HydrophobicContact CB-CD1 3.97Å; V698-I701 HydrophobicContact CB-CG1 4.18Å; V698-I701 HydrophobicContact CG1-CD1 4.16Å; V698-I701 HydrophobicContact CG2-CB 4.3Å; V698-I701 PolarHBondContact O-N 2.74Å; I701-I704 PolarHBondContact O-N 3.06Å; I701-I705 HydrophobicContact CG2-CD1 3.75Å; I701-I705 HydrophobicContact CG2-CG1 4.48Å; I701-I705 VanDerWaalsContact O-CG1 3.29Å; I701-I705 WeakPolarHBondContact O-CG1 3.43Å; I701-I705 PolarHBondContact O-N 3.42Å; I701-L722 HydrophobicContact CD1-CD1 4.13Å; I701-L792 HydrophobicContact CG2-CD2 3.76Å
702	C	96.4	Very high	91.9	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-70	-32.9	179.6	-62.2	0	0	0	0	113.3	F684 M690 C695 V698 P699 I705 A706	F684-C702 HydrophobicContact CE2-CB 3.94Å; F684-C702 HydrophobicContact CZ-CB 4.2Å; M690-C702 HydrophobicContact SD-CB 4.47Å; C695-C702 WeakPolarHBondContact CA-SG 3.25Å; C695-C702 HydrophobicContact CB-CB 3.65Å; C695-C702 WeakPolarHBondContact CB-SG 3.34Å; C695-C702 WeakPolarHBondContact SG-CB 3.42Å; C695-C702 CovalentContact SG-SG 2.04Å; C695-C702 PolarHBondContact SG-SG 2.89Å; V698-C702 PolarHBondContact O-N 3.33Å; V698-C702 VanDerWaalsContact O-N 3.12Å; P699-C702 PolarHBondContact O-N 3.26Å; C702-I705 PolarHBondContact O-N 3.13Å; C702-A706 VanDerWaalsContact O-CB 3.32Å; C702-A706 WeakPolarHBondContact O-CB 3.26Å; C702-A706 PolarHBondContact O-N 3Å
703	E	95.3	Very high	91	Very high	141 Å²	141	51.7 Å²	51.7	66%	0.659	29%	0.294	S	S	*	.	H	α-helix	trans	-60.8	-45.1	169.5	-176.1	-176.5	-179.2	0	0	111.7	P699 K700 A706 S707	P699-E703 WeakPolarHBondContact O-CB 3.33Å; P699-E703 PolarHBondContact O-N 2.98Å; K700-E703 PolarHBondContact O-N 3.21Å; E703-A706 PolarHBondContact O-N 3.11Å; E703-S707 WeakPolarHBondContact O-CB 3.28Å; E703-S707 PolarHBondContact O-N 3.1Å
704	I	94.3	Very high	90.3	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-47.1	175.9	-70.8	162.5	0	0	0	110.7	F644 D647 L650 I651 K700 I701 S707 I708	F644-I704 HydrophobicContact CD2-CG2 3.71Å; F644-I704 HydrophobicContact CE2-CG2 4.26Å; D647-I704 HydrophobicContact CB-CD1 3.96Å; L650-I704 HydrophobicContact CD2-CD1 4.27Å; I651-I704 HydrophobicContact CG1-CD1 4.01Å; K700-I704 WeakPolarHBondContact O-CB 3.4Å; K700-I704 WeakPolarHBondContact O-CD1 3.33Å; K700-I704 WeakPolarHBondContact O-CG1 3.25Å; K700-I704 PolarHBondContact O-N 2.78Å; I701-I704 PolarHBondContact O-N 3.06Å; I704-S707 CarbonylContact O-C 3.16Å; I704-S707 WeakPolarHBondContact O-CA 3.45Å; I704-S707 WeakPolarHBondContact O-CB 3.44Å; I704-S707 PolarHBondContact O-N 2.89Å; I704-S707 VanDerWaalsContact O-N 3.09Å; I704-S707 PolarHBondContact O-OG 3.01Å; I704-I708 HydrophobicContact CG2-CD1 4.26Å; I704-I708 WeakPolarHBondContact O-CG1 3.47Å; I704-I708 PolarHBondContact O-N 3.06Å
705	I	94	Very high	89.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-44.4	179.7	-65.2	165.2	0	0	0	111.3	L683 F684 I701 C702 S707 I708 S709 T717 A720 L792 L794	L683-I705 HydrophobicContact CD1-CD1 4.06Å; F684-I705 HydrophobicContact CD2-CB 4.46Å; F684-I705 HydrophobicContact CD2-CD1 4.38Å; F684-I705 HydrophobicContact CD2-CG2 3.84Å; F684-I705 HydrophobicContact CE2-CB 3.79Å; F684-I705 HydrophobicContact CE2-CD1 4.14Å; F684-I705 HydrophobicContact CE2-CG2 3.55Å; F684-I705 HydrophobicContact CG-CG2 4.49Å; F684-I705 HydrophobicContact CZ-CB 4.22Å; F684-I705 HydrophobicContact CZ-CG2 3.95Å; I701-I705 HydrophobicContact CG2-CD1 3.75Å; I701-I705 HydrophobicContact CG2-CG1 4.48Å; I701-I705 VanDerWaalsContact O-CG1 3.29Å; I701-I705 WeakPolarHBondContact O-CG1 3.43Å; I701-I705 PolarHBondContact O-N 3.42Å; C702-I705 PolarHBondContact O-N 3.13Å; I705-S707 PolarHBondContact O-N 3Å; I705-I708 WeakPolarHBondContact O-CB 3.33Å; I705-I708 PolarHBondContact O-N 3.06Å; I705-S709 PolarHBondContact O-N 2.83Å; I705-T717 HydrophobicContact CG2-CG2 4.29Å; I705-A720 HydrophobicContact CD1-CB 3.86Å; I705-A720 HydrophobicContact CG2-CB 4.38Å; I705-L792 HydrophobicContact CD1-CD1 4.47Å; I705-L794 HydrophobicContact CD1-CD2 3.75Å; I705-L794 HydrophobicContact CG1-CD2 3.76Å; I705-L794 HydrophobicContact CG2-CD2 4.31Å
706	A	91.7	Very high	89.4	Confident	56 Å²	56	47.8 Å²	47.8	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-59.1	-33.6	173.6	0	0	0	0	0	112	C702 E703 I708	C702-A706 VanDerWaalsContact O-CB 3.32Å; C702-A706 WeakPolarHBondContact O-CB 3.26Å; C702-A706 PolarHBondContact O-N 3Å; E703-A706 PolarHBondContact O-N 3.11Å; A706-I708 VanDerWaalsContact C-N 3.28Å; A706-I708 PolarHBondContact O-N 3.37Å
707	S	89.8	Confident	89	Confident	43 Å²	43	44.6 Å²	44.6	30%	0.301	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-5.6	175.3	82.8	0	0	0	0	115.4	K643 E703 I704 I705	K643-S707 PolarHBondContact NZ-OG 3.24Å; E703-S707 WeakPolarHBondContact O-CB 3.28Å; E703-S707 PolarHBondContact O-N 3.1Å; I704-S707 CarbonylContact O-C 3.16Å; I704-S707 WeakPolarHBondContact O-CA 3.45Å; I704-S707 WeakPolarHBondContact O-CB 3.44Å; I704-S707 PolarHBondContact O-N 2.89Å; I704-S707 VanDerWaalsContact O-N 3.09Å; I704-S707 PolarHBondContact O-OG 3.01Å; I705-S707 PolarHBondContact O-N 3Å
708	I	88.1	Confident	88.5	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-41.3	173.6	-68.4	164.2	0	0	0	110.4	Q640 F644 I704 I705 A706 V710 C715 L794	Q640-I708 HydrophobicContact CB-CB 4.33Å; Q640-I708 HydrophobicContact CB-CG1 4.35Å; Q640-I708 HydrophobicContact CB-CG2 3.94Å; F644-I708 HydrophobicContact CB-CD1 3.62Å; F644-I708 HydrophobicContact CB-CG1 4.47Å; F644-I708 HydrophobicContact CD1-CD1 4.32Å; F644-I708 HydrophobicContact CD2-CD1 3.52Å; F644-I708 HydrophobicContact CE2-CD1 4.21Å; F644-I708 HydrophobicContact CG-CD1 3.58Å; I704-I708 HydrophobicContact CG2-CD1 4.26Å; I704-I708 WeakPolarHBondContact O-CG1 3.47Å; I704-I708 PolarHBondContact O-N 3.06Å; I705-I708 WeakPolarHBondContact O-CB 3.33Å; I705-I708 PolarHBondContact O-N 3.06Å; A706-I708 VanDerWaalsContact C-N 3.28Å; A706-I708 PolarHBondContact O-N 3.37Å; I708-V710 VanDerWaalsContact C-N 3.32Å; I708-V710 PolarHBondContact O-N 2.89Å; I708-C715 PolarHBondContact O-SG 3.29Å; I708-C715 VanDerWaalsContact O-SG 3.35Å; I708-L794 HydrophobicContact CD1-CD1 3.94Å
709	S	85.1	Confident	88.3	Confident	42 Å²	42	43.9 Å²	43.9	29%	0.294	25%	0.25	S	C	.	.			trans	-77.5	77.2	-178.1	-158.8	0	0	0	0	111.1	I705 C715 R716 T717	I705-S709 PolarHBondContact O-N 2.83Å; S709-C715 CarbonylContact C-O 3.59Å; S709-R716 WeakPolarHBondContact OG-CA 3.35Å; S709-T717 PolarHBondContact OG-N 3.07Å
710	V	80.4	Confident	88.3	Confident	47 Å²	47	40.5 Å²	40.5	29%	0.285	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-107.3	104.8	-176	179.7	0	0	0	0	109.7	I708 E712 S713 C715	I708-V710 VanDerWaalsContact C-N 3.32Å; I708-V710 PolarHBondContact O-N 2.89Å; V710-E712 VanDerWaalsContact C-N 3.29Å; V710-E712 HydrophobicContact CG1-CB 4.25Å; V710-E712 PolarHBondContact O-N 3.1Å; V710-S713 PolarHBondContact O-N 3.42Å; V710-S713 PolarHBondContact O-OG 3.02Å; V710-C715 CarbonylContact C-O 3.49Å; V710-C715 PolarHBondContact N-O 3.47Å
711	P	76.7	Confident	88.2	Confident	78 Å²	78	39.4 Å²	39.4	51%	0.506	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-54.2	-42.1	-174.9	-27.8	35.4	0	0	0	113.7	S713 G714	P711-S713 PolarHBondContact O-N 2.94Å; P711-G714 PolarHBondContact O-N 3.37Å
712	E	77.1	Confident	88.2	Confident	192 Å²	192	39.4 Å²	39.4	90%	0.897	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-56.7	-17.8	179.2	-57.1	175.3	168.3	0	0	114.2	V710	V710-E712 VanDerWaalsContact C-N 3.29Å; V710-E712 HydrophobicContact CG1-CB 4.25Å; V710-E712 PolarHBondContact O-N 3.1Å
713	S	76.9	Confident	88.2	Confident	46 Å²	46	39.5 Å²	39.5	32%	0.322	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-105	-0.5	-179	70.4	0	0	0	0	114.2	Q640 V710 P711 C715	Q640-S713 VanDerWaalsContact NE2-CB 3.32Å; Q640-S713 PolarHBondContact NE2-OG 3.32Å; V710-S713 PolarHBondContact O-N 3.42Å; V710-S713 PolarHBondContact O-OG 3.02Å; P711-S713 PolarHBondContact O-N 2.94Å; S713-C715 PolarHBondContact O-N 3.07Å; S713-C715 WeakPolarHBondContact OG-CB 3.47Å; S713-C715 PolarHBondContact OG-N 3.41Å
714	G	80.4	Confident	88.2	Confident	22 Å²	22	32.8 Å²	32.8	23%	0.227	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	-1.8	-170	0	0	0	0	0	114.5	P711 R716	P711-G714 PolarHBondContact O-N 3.37Å; G714-R716 PolarHBondContact O-N 3Å
715	C	86.2	Confident	88.2	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.007	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-83.8	111.9	172.5	-178.9	0	0	0	0	110.1	C637 Q640 I708 S709 V710 S713	C637-C715 WeakPolarHBondContact CA-SG 3.42Å; C637-C715 HydrophobicContact CB-CB 3.95Å; C637-C715 WeakPolarHBondContact CB-SG 3.5Å; C637-C715 VanDerWaalsContact SG-CA 3.51Å; C637-C715 WeakPolarHBondContact SG-CB 3.33Å; C637-C715 CovalentContact SG-SG 2.03Å; C637-C715 PolarHBondContact SG-SG 3.15Å; Q640-C715 HydrophobicContact CG-CB 4.47Å; I708-C715 PolarHBondContact O-SG 3.29Å; I708-C715 VanDerWaalsContact O-SG 3.35Å; S709-C715 CarbonylContact C-O 3.59Å; V710-C715 CarbonylContact C-O 3.49Å; V710-C715 PolarHBondContact N-O 3.47Å; S713-C715 PolarHBondContact O-N 3.07Å; S713-C715 WeakPolarHBondContact OG-CB 3.47Å; S713-C715 PolarHBondContact OG-N 3.41Å
716	R	86.7	Confident	88.1	Confident	47 Å²	47	37.4 Å²	37.4	18%	0.177	21%	0.208	C	C	.	.			trans	-129.3	134.6	175.8	-60	-173.5	-165.3	179.6	-3.3	110	S709 G714 W797 E803 Q806	S709-R716 WeakPolarHBondContact OG-CA 3.35Å; G714-R716 PolarHBondContact O-N 3Å; R716-W797 PolarHBondContact O-N 3Å; R716-E803 IonicContact CZ-OE1 3.16Å; R716-E803 IonicContact NE-OE1 2.71Å; R716-E803 IonicContact NH2-OE1 3.88Å; R716-E803 PolarHBondContact NH2-OE1 3.13Å; R716-E803 IonicContact NH2-OE2 2.72Å; R716-Q806 VanDerWaalsContact CD-OE1 3.27Å
717	T	87.4	Confident	88.1	Confident	9 Å²	9	35.4 Å²	35.4	6%	0.055	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.3	173.1	-54.1	0	0	0	0	109	I705 S709 E719 L794 D795 L796	I705-T717 HydrophobicContact CG2-CG2 4.29Å; S709-T717 PolarHBondContact OG-N 3.07Å; T717-E719 WeakPolarHBondContact CG2-O 3.44Å; T717-L794 HydrophobicContact CG2-CB 4.25Å; T717-D795 CarbonylContact C-O 3.58Å; T717-D795 WeakPolarHBondContact CA-O 3.44Å; T717-L796 HydrophobicContact CG2-CD2 4.37Å
718	A	86.3	Confident	88.2	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-53.6	178.5	0	0	0	0	0	111.1	F685 P686 G688 Y741 D795	F685-A718 CarbonylContact C-O 3.42Å; P686-A718 CarbonylContact C-O 3.48Å; P686-A718 WeakPolarHBondContact CA-O 3.22Å; G688-A718 WeakPolarHBondContact CA-O 3.37Å; G688-A718 PolarHBondContact N-O 3.41Å; A718-Y741 HydrophobicContact CB-CD1 3.87Å; A718-Y741 HydrophobicContact CB-CE1 3.48Å; A718-Y741 VanDerWaalsContact CB-CE1 3.48Å; A718-D795 PolarHBondContact N-O 2.86Å
719	E	92.2	Very high	88.4	Confident	21 Å²	21	35.2 Å²	35.2	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.8	176.8	-152.3	-166	173.1	0	0	111.6	F684 P686 T717 R721 D795	F684-E719 WeakPolarHBondContact O-CG 3.41Å; P686-E719 HydrophobicContact CG-CB 4.33Å; P686-E719 HydrophobicContact CG-CG 3.91Å; T717-E719 WeakPolarHBondContact CG2-O 3.44Å; E719-R721 WeakPolarHBondContact OE1-CD 3Å; E719-R721 WeakPolarHBondContact OE1-CG 3.01Å; E719-R721 IonicContact OE1-CZ 3.65Å; E719-R721 IonicContact OE1-NE 3.07Å; E719-R721 PolarHBondContact OE1-NE 2.97Å; E719-R721 IonicContact OE2-CZ 2.93Å; E719-R721 IonicContact OE2-NE 3.57Å; E719-R721 PolarHBondContact OE2-NE 2.91Å; E719-R721 IonicContact OE2-NH2 3.67Å; E719-R721 PolarHBondContact OE2-NH2 3Å; E719-D795 HydrophobicContact CB-CB 4.21Å; E719-D795 PolarHBondContact O-N 3.39Å
720	A	95.5	Very high	88.7	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	132.6	166	0	0	0	0	0	112.1	L683 F684 I705 T793 L794	L683-A720 HydrophobicContact CB-CB 4.41Å; L683-A720 PolarHBondContact N-O 3.02Å; F684-A720 HydrophobicContact CB-CB 4.26Å; F684-A720 HydrophobicContact CD2-CB 4.01Å; F684-A720 PolarHBondContact N-O 3.39Å; F684-A720 PolarHBondContact O-N 3.37Å; I705-A720 HydrophobicContact CD1-CB 3.86Å; I705-A720 HydrophobicContact CG2-CB 4.38Å; A720-T793 VanDerWaalsContact CA-O 3.3Å; A720-T793 WeakPolarHBondContact CA-O 3.29Å; A720-L794 HydrophobicContact CB-CD2 3.51Å
721	R	95.9	Very high	89.2	Confident	59 Å²	59	32.9 Å²	32.9	22%	0.223	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.1	-177.5	-73.2	179.3	-99.5	127.6	8.2	111.9	T682 E719 V723 L792 T793 D795	T682-R721 HydrophobicContact CG2-CG 4.31Å; E719-R721 WeakPolarHBondContact OE1-CD 3Å; E719-R721 WeakPolarHBondContact OE1-CG 3.01Å; E719-R721 IonicContact OE1-CZ 3.65Å; E719-R721 IonicContact OE1-NE 3.07Å; E719-R721 PolarHBondContact OE1-NE 2.97Å; E719-R721 IonicContact OE2-CZ 2.93Å; E719-R721 IonicContact OE2-NE 3.57Å; E719-R721 PolarHBondContact OE2-NE 2.91Å; E719-R721 IonicContact OE2-NH2 3.67Å; E719-R721 PolarHBondContact OE2-NH2 3Å; R721-V723 HydrophobicContact CB-CG2 4.17Å; R721-L792 WeakPolarHBondContact O-CD1 3.37Å; R721-T793 PolarHBondContact N-O 2.6Å; R721-T793 PolarHBondContact O-N 3.01Å; R721-T793 PolarHBondContact O-OG1 3.15Å; R721-D795 IonicContact NH2-OD2 2.67Å; R721-D795 PolarHBondContact NH2-OD2 2.94Å
722	L	96.9	Very high	89.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123	160.7	-78	171.2	0	0	0	108.6	S655 V658 F666 Q680 M681 L683 V698 I701 L792	S655-L722 WeakPolarHBondContact OG-CD2 3.39Å; V658-L722 HydrophobicContact CG1-CD1 4.4Å; F666-L722 HydrophobicContact CE1-CB 3.84Å; F666-L722 HydrophobicContact CZ-CB 4.17Å; Q680-L722 CarbonylContact C-O 3.58Å; Q680-L722 VanDerWaalsContact CA-O 3.24Å; Q680-L722 WeakPolarHBondContact CA-O 3.18Å; M681-L722 HydrophobicContact CE-CD1 3.81Å; M681-L722 PolarHBondContact N-O 2.65Å; M681-L722 PolarHBondContact O-N 3.3Å; L683-L722 HydrophobicContact CD1-CD1 4.29Å; L683-L722 HydrophobicContact CD1-CG 4.16Å; V698-L722 HydrophobicContact CG1-CD1 4.22Å; V698-L722 HydrophobicContact CG2-CD1 4.49Å; I701-L722 HydrophobicContact CD1-CD1 4.13Å; L722-L792 HydrophobicContact CD2-CB 3.83Å; L722-L792 HydrophobicContact CD2-CD1 3.93Å; L722-L792 HydrophobicContact CD2-CG 4.3Å; L722-L792 HydrophobicContact CG-CD1 4.14Å
723	V	95.5	Very high	90.7	Very high	9 Å²	9	22.4 Å²	22.4	6%	0.055	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.1	-177.5	-176.2	0	0	0	0	109.8	Q678 Q680 R721 L790 V791	Q678-V723 HydrophobicContact CG-CG1 3.99Å; Q678-V723 VanDerWaalsContact NE2-CG1 3.33Å; Q680-V723 HydrophobicContact CB-CG2 4.16Å; R721-V723 HydrophobicContact CB-CG2 4.17Å; V723-L790 WeakPolarHBondContact O-CA 3.27Å; V723-V791 HydrophobicContact CB-CG2 3.81Å; V723-V791 PolarHBondContact N-O 2.84Å; V723-V791 PolarHBondContact O-N 2.65Å
724	A	94.6	Very high	91.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.5	179.5	0	0	0	0	0	109.7	W659 F666 Q678 K679 W788 Q789 L790	W659-A724 HydrophobicContact CD2-CB 4.3Å; W659-A724 HydrophobicContact CE3-CB 3.74Å; W659-A724 HydrophobicContact CH2-CB 3.63Å; W659-A724 HydrophobicContact CZ2-CB 4.21Å; W659-A724 HydrophobicContact CZ3-CB 3.37Å; F666-A724 HydrophobicContact CD1-CB 4.1Å; F666-A724 HydrophobicContact CE1-CB 4.26Å; Q678-A724 CarbonylContact C-O 3.57Å; Q678-A724 WeakPolarHBondContact CA-O 3.41Å; K679-A724 PolarHBondContact N-O 3.27Å; K679-A724 PolarHBondContact O-N 2.87Å; A724-W788 HydrophobicContact CB-CE3 4.43Å; A724-Q789 WeakPolarHBondContact CA-O 3.15Å; A724-L790 HydrophobicContact CB-CD1 3.53Å
725	T	94	Very high	92	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.3	-173.5	-54.2	0	0	0	0	109.2	Q678 T729 A783 Q789	Q678-T725 PolarHBondContact NE2-OG1 3Å; Q678-T725 VanDerWaalsContact NE2-OG1 3.14Å; T725-T729 HydrophobicContact CG2-CG2 3.73Å; T725-A783 HydrophobicContact CG2-CB 3.61Å; T725-Q789 PolarHBondContact N-O 3.37Å; T725-Q789 PolarHBondContact O-N 2.87Å
726	Y	92.3	Very high	92.3	Very high	112 Å²	112	23.5 Å²	23.5	44%	0.439	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	147.2	180	-167.5	-106.3	0	0	0	111.4	D677 T729 A783 G787 W788	D677-Y726 PolarHBondContact O-N 3.04Å; Y726-T729 WeakPolarHBondContact O-CB 3.28Å; Y726-T729 PolarHBondContact O-N 3.27Å; Y726-T729 VanDerWaalsContact O-N 3.1Å; Y726-T729 PolarHBondContact O-OG1 2.98Å; Y726-A783 WeakPolarHBondContact O-CB 3.25Å; Y726-G787 WeakPolarHBondContact CD2-O 3.41Å; Y726-W788 AromaticContact CD2-CD2 3.95Å; Y726-W788 HydrophobicContact CD2-CD2 3.95Å; Y726-W788 AromaticContact CD2-CE2 3.59Å; Y726-W788 HydrophobicContact CD2-CE3 4.29Å; Y726-W788 AromaticContact CD2-CH2 3.97Å; Y726-W788 HydrophobicContact CD2-CH2 3.97Å; Y726-W788 AromaticContact CD2-CZ2 3.62Å; Y726-W788 HydrophobicContact CD2-CZ2 3.62Å; Y726-W788 HydrophobicContact CD2-CZ3 4.3Å; Y726-W788 HydrophobicContact CE2-CZ2 4.35Å; Y726-W788 HydrophobicContact CG-CH2 4.42Å; Y726-W788 HydrophobicContact CG-CZ2 4.48Å
727	A	92.2	Very high	92.3	Very high	14 Å²	14	22.6 Å²	22.6	12%	0.116	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	137.8	176.8	0	0	0	0	0	112	T729 G784 G787	A727-T729 VanDerWaalsContact C-N 3.34Å; A727-G784 VanDerWaalsContact CB-O 3.29Å; A727-G784 WeakPolarHBondContact CB-O 3.26Å; A727-G787 WeakPolarHBondContact CB-O 3.42Å; A727-G787 PolarHBondContact N-O 3.19Å
728	G	91.8	Very high	92.4	Very high	39 Å²	39	22.3 Å²	22.3	40%	0.402	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	1.3	-171.2	0	0	0	0	0	114.6	A783	G728-A783 PolarHBondContact N-O 3.22Å
729	T	92.2	Very high	92.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	12%	0.12	C	C	.	.			trans	-80.2	127.3	174.9	-49.6	0	0	0	0	110.5	V673 A675 G676 D677 T725 Y726 A727 Y782 A783	V673-T729 HydrophobicContact CG1-CG2 3.9Å; V673-T729 HydrophobicContact CG2-CG2 4.49Å; A675-T729 WeakPolarHBondContact O-CA 3.34Å; A675-T729 WeakPolarHBondContact O-CG2 3.38Å; G676-T729 WeakPolarHBondContact CA-OG1 3.26Å; D677-T729 PolarHBondContact N-OG1 2.89Å; D677-T729 VanDerWaalsContact N-OG1 3.15Å; T725-T729 HydrophobicContact CG2-CG2 3.73Å; Y726-T729 WeakPolarHBondContact O-CB 3.28Å; Y726-T729 PolarHBondContact O-N 3.27Å; Y726-T729 VanDerWaalsContact O-N 3.1Å; Y726-T729 PolarHBondContact O-OG1 2.98Å; A727-T729 VanDerWaalsContact C-N 3.34Å; T729-Y782 WeakPolarHBondContact O-CA 3.25Å; T729-A783 PolarHBondContact O-N 3.19Å
730	E	92	Very high	92.9	Very high	38 Å²	38	21.7 Å²	21.7	18%	0.178	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.8	165.2	-164.5	161.1	151.5	0	0	110.3	E674 A675 W755 R780 T781 Y782	E674-E730 PolarHBondContact N-O 3.32Å; A675-E730 PolarHBondContact O-N 2.85Å; E730-W755 HydrophobicContact CG-CH2 4.42Å; E730-R780 WeakPolarHBondContact OE1-CD 3.39Å; E730-R780 IonicContact OE1-CZ 3.61Å; E730-R780 IonicContact OE1-NE 3.49Å; E730-R780 PolarHBondContact OE1-NE 3.33Å; E730-R780 VanDerWaalsContact OE1-NE 3.15Å; E730-R780 IonicContact OE1-NH1 3.62Å; E730-R780 PolarHBondContact OE1-NH1 3.42Å; E730-R780 IonicContact OE1-NH2 2.75Å; E730-T781 WeakPolarHBondContact CA-O 3.42Å; E730-Y782 HydrophobicContact CB-CD2 4.05Å; E730-Y782 HydrophobicContact CG-CD2 4.48Å
731	T	91.5	Very high	92.8	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142	170.4	55.7	0	0	0	0	111.8	Y672 R780 T781	Y672-T731 CarbonylContact O-C 3.45Å; Y672-T731 WeakPolarHBondContact O-CA 3.1Å; Y672-T731 VanDerWaalsContact O-CB 3.29Å; Y672-T731 WeakPolarHBondContact O-CB 3.45Å; T731-R780 WeakPolarHBondContact O-CB 3.5Å; T731-T781 PolarHBondContact N-O 3.41Å; T731-T781 PolarHBondContact OG1-N 2.88Å; T731-T781 PolarHBondContact OG1-O 3.4Å; T731-T781 PolarHBondContact OG1-OG1 3.38Å; T731-T781 VanDerWaalsContact OG1-OG1 3.07Å
732	W	90.3	Very high	92.8	Very high	34 Å²	34	20.3 Å²	20.3	13%	0.129	11%	0.111	C	C	.	.			trans	-56.2	148.9	171.3	-67.8	108.2	0	0	0	111	Y589 R590 Y672 V673 E674 H734	Y589-W732 AromaticContact CD1-CE3 3.69Å; Y589-W732 HydrophobicContact CD1-CE3 3.69Å; Y589-W732 AromaticContact CD1-CZ3 3.8Å; Y589-W732 HydrophobicContact CD1-CZ3 3.8Å; Y589-W732 AromaticContact CE1-CE3 3.91Å; Y589-W732 HydrophobicContact CE1-CE3 3.91Å; Y589-W732 HydrophobicContact CE1-CZ3 4.01Å; R590-W732 HydrophobicContact CB-CH2 4.37Å; R590-W732 HydrophobicContact CG-CD2 4.12Å; R590-W732 HydrophobicContact CG-CE3 4.22Å; R590-W732 HydrophobicContact CG-CH2 3.94Å; R590-W732 HydrophobicContact CG-CZ2 3.8Å; R590-W732 HydrophobicContact CG-CZ3 4.15Å; R590-W732 VanDerWaalsContact CZ-CD1 3.49Å; Y672-W732 PolarHBondContact O-N 3.24Å; V673-W732 PolarHBondContact O-NE1 3.07Å; V673-W732 VanDerWaalsContact O-NE1 3.13Å; E674-W732 HydrophobicContact CB-CD2 3.94Å; E674-W732 HydrophobicContact CB-CE3 4.44Å; E674-W732 HydrophobicContact CB-CG 4.29Å; E674-W732 HydrophobicContact CB-CH2 4.41Å; E674-W732 HydrophobicContact CB-CZ2 3.91Å; E674-W732 HydrophobicContact CG-CD2 4.31Å; E674-W732 HydrophobicContact CG-CE3 4.44Å; E674-W732 HydrophobicContact CG-CH2 3.75Å; E674-W732 HydrophobicContact CG-CZ2 3.6Å; E674-W732 HydrophobicContact CG-CZ3 4.17Å; W732-H734 PolarHBondContact O-N 3.5Å; W732-H734 VanDerWaalsContact O-N 3.13Å; W732-H734 PolarHBondContact O-ND1 2.76Å
733	P	93	Very high	92.8	Very high	16 Å²	16	20.8 Å²	20.8	10%	0.104	11%	0.114	C	C	.	.			trans	-66.8	111.8	175.9	-18.6	32.1	0	0	0	112.3	Y589 E778 H779	Y589-P733 HydrophobicContact CE1-CG 3.83Å; Y589-P733 HydrophobicContact CE2-CG 4.2Å; P733-E778 VanDerWaalsContact CB-CD 3.48Å; P733-E778 HydrophobicContact CB-CG 3.56Å; P733-H779 WeakPolarHBondContact CA-O 3.37Å
734	H	92.1	Very high	92.9	Very high	40 Å²	40	20.4 Å²	20.4	19%	0.185	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-129.3	166.6	-175	59.9	-75.2	0	0	0	112	Y672 W732 E778 H779	Y672-H734 HydrophobicContact CD1-CB 3.87Å; Y672-H734 AromaticContact CD1-CD2 3.68Å; Y672-H734 AromaticContact CD1-CG 3.63Å; Y672-H734 HydrophobicContact CE1-CB 4.04Å; Y672-H734 AromaticContact CE1-CD2 3.82Å; W732-H734 PolarHBondContact O-N 3.5Å; W732-H734 VanDerWaalsContact O-N 3.13Å; W732-H734 PolarHBondContact O-ND1 2.76Å; H734-E778 CarbonylContact O-C 3.52Å; H734-E778 VanDerWaalsContact O-CA 3.32Å; H734-E778 WeakPolarHBondContact O-CA 3.18Å; H734-H779 AromaticContact CD2-NE2 3.82Å; H734-H779 PolarHBondContact N-O 3.02Å; H734-H779 PolarHBondContact ND1-O 3.23Å; H734-H779 AromaticContact NE2-CD2 3.96Å; H734-H779 AromaticContact NE2-NE2 3.49Å; H734-H779 PolarHBondContact NE2-NE2 2.93Å; H734-H779 PolarHBondContact O-N 3.23Å; H734-H779 PolarHBondContact O-ND1 3.15Å
735	C	94.2	Very high	93	Very high	19 Å²	19	20.8 Å²	20.8	13%	0.128	11%	0.114	C	C	.	.			trans	-126.4	146	174.5	-59.2	0	0	0	0	108.2	R616 S776 E778	R616-C735 HydrophobicContact CB-CB 4.38Å; C735-S776 WeakPolarHBondContact CB-O 3.43Å; C735-S776 PolarHBondContact SG-O 2.88Å; C735-S776 VanDerWaalsContact SG-O 3.4Å; C735-E778 VanDerWaalsContact SG-CA 3.59Å; C735-E778 PolarHBondContact SG-N 2.75Å; C735-E778 VanDerWaalsContact SG-N 3.44Å
736	A	91.3	Very high	93.2	Very high	32 Å²	32	20.9 Å²	20.9	26%	0.264	11%	0.114	S	C	.	.			trans	-66.1	157.8	165.3	0	0	0	0	0	111.2	S617 T738 P775	S617-A736 WeakPolarHBondContact CA-O 3.26Å; S617-A736 VanDerWaalsContact CB-O 3.29Å; S617-A736 WeakPolarHBondContact CB-O 3.45Å; A736-T738 PolarHBondContact O-N 3.3Å; A736-P775 HydrophobicContact CB-CB 3.82Å; A736-P775 HydrophobicContact CB-CG 3.95Å; A736-P775 PolarHBondContact N-O 3.45Å
737	F	86.2	Confident	93.4	Very high	28 Å²	28	15.6 Å²	15.6	12%	0.123	9%	0.094	C	C	.	.	S	Bend	trans	-73.1	-11.2	-173.8	-59.8	-59.5	0	0	0	114.8	E70 L77 M618 Y619	E70-F737 HydrophobicContact CB-CE2 3.97Å; E70-F737 HydrophobicContact CB-CZ 3.84Å; E70-F737 HydrophobicContact CG-CE2 3.94Å; E70-F737 HydrophobicContact CG-CZ 3.83Å; L77-F737 HydrophobicContact CD1-CB 3.83Å; M618-F737 HydrophobicContact CE-CD1 3.53Å; M618-F737 HydrophobicContact CE-CE1 3.87Å; M618-F737 PolarHBondContact N-O 3.37Å; Y619-F737 HydrophobicContact CD2-CB 4Å; Y619-F737 WeakPolarHBondContact CD2-O 3.31Å; Y619-F737 HydrophobicContact CE2-CB 4.28Å; Y619-F737 PolarHBondContact N-O 3.17Å
738	T	91.1	Very high	93.6	Very high	3 Å²	3	15 Å²	15	2%	0.018	9%	0.088	C	C	.	.			trans	-144.1	152.6	-175.6	-177.1	0	0	0	0	112.2	Y619 A736 C740 Y741 S776	Y619-T738 WeakPolarHBondContact O-CA 3.3Å; Y619-T738 WeakPolarHBondContact O-CB 3.39Å; Y619-T738 PolarHBondContact O-OG1 2.9Å; A736-T738 PolarHBondContact O-N 3.3Å; T738-C740 VanDerWaalsContact C-N 3.35Å; T738-C740 HydrophobicContact CG2-CB 4.25Å; T738-C740 WeakPolarHBondContact OG1-CB 3.42Å; T738-C740 PolarHBondContact OG1-N 3.31Å; T738-C740 VanDerWaalsContact OG1-N 3.09Å; T738-C740 PolarHBondContact OG1-SG 2.96Å; T738-Y741 HydrophobicContact CG2-CD2 3.55Å; T738-Y741 HydrophobicContact CG2-CE2 3.62Å; T738-S776 WeakPolarHBondContact O-CB 3.46Å
739	N	94.2	Very high	93.7	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.032	8%	0.076	C	C	.	.	S	Bend	trans	-87.7	4.5	167.7	70.9	-19	0	0	0	113.8	N620 V621 Y741	N620-N739 WeakPolarHBondContact CA-OD1 3.35Å; N620-N739 WeakPolarHBondContact CB-OD1 3.35Å; N620-N739 PolarHBondContact OD1-N 3.06Å; V621-N739 PolarHBondContact N-OD1 2.94Å; V621-N739 PolarHBondContact O-ND2 3.48Å; N739-Y741 PolarHBondContact O-N 2.52Å
740	C	93.8	Very high	93.8	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.02	8%	0.084	C	C	.	.	S	Bend	trans	-75.5	-3.9	-174.5	-66.2	0	0	0	0	115	T738 W797 H798 L801 L809	T738-C740 VanDerWaalsContact C-N 3.35Å; T738-C740 HydrophobicContact CG2-CB 4.25Å; T738-C740 WeakPolarHBondContact OG1-CB 3.42Å; T738-C740 PolarHBondContact OG1-N 3.31Å; T738-C740 VanDerWaalsContact OG1-N 3.09Å; T738-C740 PolarHBondContact OG1-SG 2.96Å; C740-W797 HydrophobicContact CB-CZ3 4.38Å; C740-H798 WeakPolarHBondContact O-CB 3.21Å; C740-H798 PolarHBondContact O-N 3.44Å; C740-L801 HydrophobicContact CB-CD1 3.75Å; C740-L801 WeakPolarHBondContact O-CD1 3.46Å; C740-L809 HydrophobicContact CB-CD1 4.39Å
741	Y	93.7	Very high	93.6	Very high	28 Å²	28	14.4 Å²	14.4	11%	0.11	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.7	-176.3	-52.1	-60.5	0	0	0	112.5	A718 T738 N739 P775 L796 W797	A718-Y741 HydrophobicContact CB-CD1 3.87Å; A718-Y741 HydrophobicContact CB-CE1 3.48Å; A718-Y741 VanDerWaalsContact CB-CE1 3.48Å; T738-Y741 HydrophobicContact CG2-CD2 3.55Å; T738-Y741 HydrophobicContact CG2-CE2 3.62Å; N739-Y741 PolarHBondContact O-N 2.52Å; Y741-P775 WeakPolarHBondContact O-CD 3.29Å; Y741-L796 CarbonylContact C-O 3.57Å; Y741-L796 WeakPolarHBondContact CA-O 3.33Å; Y741-W797 HydrophobicContact CD1-CD2 4.21Å; Y741-W797 HydrophobicContact CD1-CE3 4.14Å; Y741-W797 HydrophobicContact CD1-CZ3 4.49Å; Y741-W797 AromaticContact CE1-CD2 3.7Å; Y741-W797 HydrophobicContact CE1-CD2 3.7Å; Y741-W797 AromaticContact CE1-CE2 3.76Å; Y741-W797 AromaticContact CE1-CE3 3.6Å; Y741-W797 HydrophobicContact CE1-CE3 3.6Å; Y741-W797 HydrophobicContact CE1-CG 4.42Å; Y741-W797 AromaticContact CE1-CH2 3.69Å; Y741-W797 HydrophobicContact CE1-CH2 3.69Å; Y741-W797 AromaticContact CE1-CZ2 3.78Å; Y741-W797 HydrophobicContact CE1-CZ2 3.78Å; Y741-W797 AromaticContact CE1-CZ3 3.6Å; Y741-W797 HydrophobicContact CE1-CZ3 3.6Å; Y741-W797 AromaticContact CZ-CH2 3.94Å; Y741-W797 WeakPolarHBondContact OH-CH2 3.21Å
742	L	96.4	Very high	93.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.7	165.7	-59.5	179.9	0	0	0	109.1	W630 T635 F773 D774 L796 P799	W630-L742 HydrophobicContact CD2-CD1 3.53Å; W630-L742 HydrophobicContact CD2-CD2 4.21Å; W630-L742 HydrophobicContact CE3-CD1 3.72Å; W630-L742 HydrophobicContact CG-CD1 3.95Å; W630-L742 HydrophobicContact CG-CD2 4.32Å; W630-L742 HydrophobicContact CH2-CD1 4.28Å; W630-L742 HydrophobicContact CZ2-CD1 4.1Å; W630-L742 HydrophobicContact CZ2-CD2 4.1Å; W630-L742 HydrophobicContact CZ3-CD1 4.1Å; T635-L742 HydrophobicContact CG2-CD1 4.19Å; L742-F773 CarbonylContact C-O 3.49Å; L742-D774 HydrophobicContact CD2-CB 3.84Å; L742-L796 PolarHBondContact N-O 3.02Å; L742-L796 PolarHBondContact O-N 2.72Å; L742-P799 HydrophobicContact CD1-CG 4.37Å
743	T	96.7	Very high	93.8	Very high	11 Å²	11	23.9 Å²	23.9	7%	0.067	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.5	179.5	-56.8	0	0	0	0	110.3	L772 F773 P775 T793 D795	T743-L772 WeakPolarHBondContact O-CA 3.25Å; T743-F773 HydrophobicContact CG2-CD1 4.36Å; T743-F773 HydrophobicContact CG2-CE1 3.52Å; T743-F773 HydrophobicContact CG2-CZ 3.78Å; T743-F773 PolarHBondContact N-O 2.72Å; T743-F773 WeakPolarHBondContact O-CD1 3.28Å; T743-F773 PolarHBondContact O-N 3.02Å; T743-P775 WeakPolarHBondContact OG1-CG 3.5Å; T743-T793 HydrophobicContact CG2-CG2 4.28Å; T743-D795 WeakPolarHBondContact CA-OD1 3.22Å; T743-D795 VanDerWaalsContact CB-OD1 3.24Å; T743-D795 WeakPolarHBondContact CB-OD1 3.49Å; T743-D795 WeakPolarHBondContact CG2-OD1 3.29Å; T743-D795 PolarHBondContact OG1-OD1 2.68Å
744	A	97.2	Very high	94	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.5	167.2	0	0	0	0	0	109.6	L641 L771 L772 T793 L794 L796	L641-A744 HydrophobicContact CD2-CB 4.19Å; A744-L771 WeakPolarHBondContact CA-O 3.42Å; A744-L772 HydrophobicContact CB-CG 4.2Å; A744-T793 CarbonylContact O-C 3.45Å; A744-T793 WeakPolarHBondContact O-CA 3.44Å; A744-L794 PolarHBondContact N-O 3.23Å; A744-L794 PolarHBondContact O-N 2.86Å; A744-L796 HydrophobicContact CB-CD1 4.17Å
745	I	97.5	Very high	94.2	Very high	9 Å²	9	24 Å²	24	5%	0.046	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.5	-177.9	-176.1	170.1	0	0	0	111.1	L756 L765 L770 L771 F773 V791 T793	I745-L756 HydrophobicContact CG2-CD2 4.1Å; I745-L765 HydrophobicContact CD1-CD2 4.09Å; I745-L765 HydrophobicContact CG1-CD2 4.42Å; I745-L765 HydrophobicContact CG2-CD2 4.43Å; I745-L770 WeakPolarHBondContact O-CA 3.37Å; I745-L771 HydrophobicContact CG2-CB 3.82Å; I745-L771 PolarHBondContact N-O 3.04Å; I745-L771 PolarHBondContact O-N 3.23Å; I745-F773 HydrophobicContact CG2-CD1 4.38Å; I745-F773 HydrophobicContact CG2-CE1 4.11Å; I745-V791 HydrophobicContact CD1-CB 4.22Å; I745-V791 HydrophobicContact CD1-CG1 4.28Å; I745-V791 HydrophobicContact CD1-CG2 4.05Å; I745-V791 HydrophobicContact CG1-CB 4.04Å; I745-V791 HydrophobicContact CG1-CG1 4.33Å; I745-V791 HydrophobicContact CG1-CG2 4.29Å; I745-T793 HydrophobicContact CB-CG2 4.21Å; I745-T793 HydrophobicContact CD1-CG2 4.19Å; I745-T793 HydrophobicContact CG1-CG2 4Å
746	L	97.8	Very high	94.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.4	178.5	-179	61.3	0	0	0	110.8	F644 W648 I651 V748 L770 V791 L792	F644-L746 HydrophobicContact CE1-CB 4.22Å; F644-L746 HydrophobicContact CE1-CD2 4.14Å; F644-L746 HydrophobicContact CE2-CD2 4.39Å; F644-L746 HydrophobicContact CZ-CD2 3.99Å; W648-L746 HydrophobicContact CB-CD1 4.23Å; W648-L746 HydrophobicContact CB-CD2 4.33Å; I651-L746 HydrophobicContact CD1-CD2 3.72Å; I651-L746 HydrophobicContact CG2-CD2 4.21Å; L746-V748 HydrophobicContact CD2-CG2 4.36Å; L746-V748 HydrophobicContact CG-CG2 4.24Å; L746-V748 PolarHBondContact O-N 2.94Å; L746-L770 HydrophobicContact CB-CD2 3.71Å; L746-L770 HydrophobicContact CD1-CD2 4.1Å; L746-L770 HydrophobicContact CD1-CG 4.2Å; L746-L770 HydrophobicContact CG-CD2 4.44Å; L746-V791 WeakPolarHBondContact O-CA 3.49Å; L746-V791 WeakPolarHBondContact O-CB 3.38Å; L746-L792 HydrophobicContact CB-CB 4.39Å; L746-L792 PolarHBondContact N-O 2.95Å; L746-L792 PolarHBondContact O-N 2.92Å; L746-L792 VanDerWaalsContact O-N 3.12Å
747	G	96.3	Very high	94.7	Very high	1 Å²	1	23 Å²	23	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	105.4	172.5	0	0	0	0	0	112.1	V750 G768 R769	G747-V750 VanDerWaalsContact CA-CG2 3.47Å; G747-G768 PolarHBondContact O-N 3.09Å; G747-R769 PolarHBondContact N-O 2.87Å
748	V	95.7	Very high	95.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-44.8	-174.3	170.4	0	0	0	0	112.5	I651 R652 L746 L767 L790 L792	I651-V748 HydrophobicContact CG2-CG2 4.02Å; R652-V748 HydrophobicContact CB-CG1 3.98Å; R652-V748 WeakPolarHBondContact CD-O 3.44Å; R652-V748 HydrophobicContact CG-CG1 4.18Å; R652-V748 VanDerWaalsContact CG-O 3.24Å; R652-V748 WeakPolarHBondContact CG-O 3.36Å; R652-V748 PolarHBondContact NE-O 2.84Å; L746-V748 HydrophobicContact CD2-CG2 4.36Å; L746-V748 HydrophobicContact CG-CG2 4.24Å; L746-V748 PolarHBondContact O-N 2.94Å; V748-L767 WeakPolarHBondContact O-CD1 3.44Å; V748-L790 CarbonylContact C-O 3.58Å; V748-L790 WeakPolarHBondContact CA-O 3.45Å; V748-L790 HydrophobicContact CB-CB 4.48Å; V748-L790 WeakPolarHBondContact CB-O 3.23Å; V748-L790 HydrophobicContact CG1-CB 4.43Å; V748-L790 HydrophobicContact CG1-CD2 4.13Å; V748-L790 PolarHBondContact N-O 3.43Å; V748-L792 HydrophobicContact CG2-CB 4Å
749	A	94.5	Very high	95.5	Very high	16 Å²	16	23.5 Å²	23.5	13%	0.132	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	109.9	165.3	0	0	0	0	0	107	L656 Q789 L790	L656-A749 HydrophobicContact CD2-CB 4.18Å; A749-Q789 CarbonylContact O-C 3.55Å; A749-Q789 WeakPolarHBondContact O-CA 3.46Å; A749-L790 HydrophobicContact CB-CB 3.85Å; A749-L790 PolarHBondContact N-O 2.94Å; A749-L790 PolarHBondContact O-N 2.83Å
750	V	94.2	Very high	95.5	Very high	30 Å²	30	29.4 Å²	29.4	18%	0.182	16%	0.16	C	C	.	.			trans	-123.2	108.3	-167.6	-172	0	0	0	0	109.6	G747 L765	G747-V750 VanDerWaalsContact CA-CG2 3.47Å; V750-L765 HydrophobicContact CG1-CB 3.63Å; V750-L765 WeakPolarHBondContact CG1-O 3.46Å; V750-L765 HydrophobicContact CG2-CB 4.46Å
751	P	88.9	Confident	95.7	Very high	21 Å²	21	33 Å²	33	14%	0.136	18%	0.176	C	C	.	.			trans	-60.9	151.8	170.4	-24	34.3	0	0	0	112.4	S754 G784	P751-S754 WeakPolarHBondContact O-CB 3.48Å; P751-S754 PolarHBondContact O-N 3.41Å; P751-S754 PolarHBondContact O-OG 2.88Å; P751-G784 WeakPolarHBondContact CB-O 3.37Å
752	H	90.7	Very high	95.9	Very high	180 Å²	180	35.3 Å²	35.3	83%	0.833	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	139.4	174.5	-71.6	-77.6	0	0	0	111.8	G784 G785	H752-G784 CarbonylContact O-C 3.54Å; H752-G785 WeakPolarHBondContact O-CA 3.28Å; H752-G785 PolarHBondContact O-N 3.25Å
753	G	94.6	Very high	96	Very high	55 Å²	55	38.3 Å²	38.3	57%	0.567	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	3.1	-178	0	0	0	0	0	115.1	W755 Y782	G753-W755 VanDerWaalsContact O-CD1 3.27Å; G753-Y782 WeakPolarHBondContact O-CD1 3.32Å
754	S	96.9	Very high	96	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.021	23%	0.227	C	C	.	.			trans	-75.8	137.8	174.9	-49.8	0	0	0	0	112.2	P751 L765 Y782 G784 Q789	P751-S754 WeakPolarHBondContact O-CB 3.48Å; P751-S754 PolarHBondContact O-N 3.41Å; P751-S754 PolarHBondContact O-OG 2.88Å; S754-L765 PolarHBondContact O-N 3.1Å; S754-Y782 CarbonylContact C-O 3.44Å; S754-Y782 VanDerWaalsContact CA-O 3.27Å; S754-Y782 WeakPolarHBondContact CA-O 3.46Å; S754-G784 PolarHBondContact OG-N 3.45Å; S754-Q789 VanDerWaalsContact CB-OE1 3.26Å
755	W	97.2	Very high	96	Very high	56 Å²	56	42.3 Å²	42.3	21%	0.212	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.3	-175.9	55.5	-102.6	0	0	0	114	E730 G753 R757 T762 R763 R780 T781 Y782	E730-W755 HydrophobicContact CG-CH2 4.42Å; G753-W755 VanDerWaalsContact O-CD1 3.27Å; W755-R757 HydrophobicContact CE3-CB 4.28Å; W755-R757 HydrophobicContact CZ3-CB 4Å; W755-T762 HydrophobicContact CB-CG2 3.95Å; W755-T762 HydrophobicContact CD2-CG2 3.86Å; W755-T762 HydrophobicContact CE3-CG2 3.77Å; W755-T762 HydrophobicContact CG-CG2 3.97Å; W755-R763 WeakPolarHBondContact CA-O 3.49Å; W755-R763 WeakPolarHBondContact CB-O 3.35Å; W755-R780 HydrophobicContact CH2-CG 4.36Å; W755-R780 HydrophobicContact CZ3-CG 4.03Å; W755-T781 WeakPolarHBondContact O-CA 3.48Å; W755-Y782 AromaticContact CD1-CD1 3.9Å; W755-Y782 AromaticContact CE2-CG 3.92Å; W755-Y782 HydrophobicContact CZ2-CD1 4.46Å; W755-Y782 AromaticContact CZ2-CG 3.97Å; W755-Y782 HydrophobicContact CZ2-CG 3.97Å; W755-Y782 PolarHBondContact N-O 2.77Å; W755-Y782 AromaticContact NE1-CD1 3.43Å; W755-Y782 AromaticContact NE1-CG 3.81Å; W755-Y782 PolarHBondContact O-N 3.34Å
756	L	97.5	Very high	95.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	122.7	171.1	167.4	63.6	0	0	0	108.4	W629 I745 V758 R763 L765 L771 F773 H779 T781	W629-L756 HydrophobicContact CH2-CB 4.3Å; W629-L756 HydrophobicContact CH2-CD2 3.69Å; W629-L756 HydrophobicContact CH2-CG 3.74Å; W629-L756 HydrophobicContact CZ3-CD2 3.94Å; W629-L756 HydrophobicContact CZ3-CG 4.48Å; I745-L756 HydrophobicContact CG2-CD2 4.1Å; L756-V758 HydrophobicContact CD1-CG2 3.97Å; L756-V758 HydrophobicContact CD2-CG2 4.16Å; L756-V758 HydrophobicContact CG-CG2 3.88Å; L756-R763 PolarHBondContact N-O 3.38Å; L756-R763 PolarHBondContact O-N 3.23Å; L756-L765 HydrophobicContact CB-CD2 4.48Å; L756-L771 HydrophobicContact CD2-CD1 4.49Å; L756-F773 HydrophobicContact CD2-CD1 3.74Å; L756-F773 HydrophobicContact CD2-CE1 3.7Å; L756-F773 HydrophobicContact CD2-CG 4.3Å; L756-F773 HydrophobicContact CD2-CZ 4.23Å; L756-H779 HydrophobicContact CD1-CB 4.24Å; L756-T781 HydrophobicContact CB-CG2 4.4Å; L756-T781 HydrophobicContact CD1-CG2 3.7Å
757	R	98	Very high	95.9	Very high	29 Å²	29	50 Å²	50	11%	0.109	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.7	166.9	178.7	176.9	70.9	89.7	-6.6	108.4	W755 H759 E761 T762 E778 H779 R780	W755-R757 HydrophobicContact CE3-CB 4.28Å; W755-R757 HydrophobicContact CZ3-CB 4Å; R757-H759 WeakPolarHBondContact CG-O 3.45Å; R757-H759 PolarHBondContact NH1-O 3.12Å; R757-E761 WeakPolarHBondContact CA-O 3.48Å; R757-T762 HydrophobicContact CB-CG2 4.31Å; R757-E778 IonicContact CZ-OE1 2.65Å; R757-E778 VanDerWaalsContact CZ-OE1 3.29Å; R757-E778 IonicContact NH1-OE1 2.97Å; R757-E778 PolarHBondContact NH1-OE1 2.68Å; R757-E778 IonicContact NH2-OE1 2.66Å; R757-E778 PolarHBondContact NH2-OE1 3.09Å; R757-H779 CarbonylContact O-C 3.59Å; R757-H779 WeakPolarHBondContact O-CA 3.33Å; R757-H779 VanDerWaalsContact O-CB 3.26Å; R757-H779 WeakPolarHBondContact O-CB 3.47Å; R757-R780 HydrophobicContact CB-CG 4.13Å; R757-R780 PolarHBondContact N-O 2.82Å; R757-R780 PolarHBondContact O-N 2.8Å
758	V	98.2	Very high	95.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	125.2	167.5	-168.8	0	0	0	0	107.4	P628 W629 L756 N760 E761 F773 F777 H779	P628-V758 HydrophobicContact CB-CG1 3.97Å; W629-V758 HydrophobicContact CD2-CB 4.41Å; W629-V758 HydrophobicContact CD2-CG2 4.39Å; W629-V758 HydrophobicContact CE3-CG2 4.47Å; W629-V758 HydrophobicContact CH2-CB 4.5Å; W629-V758 HydrophobicContact CH2-CG2 3.71Å; W629-V758 HydrophobicContact CZ2-CB 3.9Å; W629-V758 HydrophobicContact CZ2-CG2 3.58Å; W629-V758 HydrophobicContact CZ3-CG2 4.13Å; L756-V758 HydrophobicContact CD1-CG2 3.97Å; L756-V758 HydrophobicContact CD2-CG2 4.16Å; L756-V758 HydrophobicContact CG-CG2 3.88Å; V758-N760 PolarHBondContact O-N 3.35Å; V758-E761 PolarHBondContact N-O 3.44Å; V758-E761 PolarHBondContact O-N 3.33Å; V758-E761 VanDerWaalsContact O-O 3.12Å; V758-F773 HydrophobicContact CG1-CB 4.41Å; V758-F773 HydrophobicContact CG1-CD2 4.2Å; V758-F773 HydrophobicContact CG2-CB 3.86Å; V758-F773 HydrophobicContact CG2-CD2 3.7Å; V758-F773 HydrophobicContact CG2-CE2 4.41Å; V758-F773 HydrophobicContact CG2-CG 3.88Å; V758-F777 HydrophobicContact CG1-CB 3.94Å; V758-H779 HydrophobicContact CB-CB 4.38Å; V758-H779 HydrophobicContact CG1-CB 4.29Å; V758-H779 HydrophobicContact CG2-CB 3.98Å
759	H	95.6	Very high	95.9	Very high	41 Å²	41	57 Å²	57	19%	0.19	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	-121.3	-168.2	-179.7	47	0	0	0	110.9	Y614 P628 R757 F777 E778	Y614-H759 AromaticContact CD1-ND1 3.68Å; Y614-H759 AromaticContact CD2-CE1 3.3Å; Y614-H759 WeakPolarHBondContact CD2-CE1 3.37Å; Y614-H759 AromaticContact CD2-ND1 3.41Å; Y614-H759 WeakPolarHBondContact CD2-ND1 3.4Å; Y614-H759 AromaticContact CE2-CE1 3.56Å; Y614-H759 AromaticContact CE2-ND1 3.93Å; Y614-H759 AromaticContact CG-CE1 3.71Å; Y614-H759 AromaticContact CG-ND1 3.28Å; Y614-H759 VanDerWaalsContact CG-ND1 3.28Å; P628-H759 HydrophobicContact CB-CB 3.99Å; P628-H759 HydrophobicContact CG-CB 3.81Å; R757-H759 WeakPolarHBondContact CG-O 3.45Å; R757-H759 PolarHBondContact NH1-O 3.12Å; H759-F777 HydrophobicContact CB-CD1 4.36Å; H759-E778 PolarHBondContact N-O 3.16Å
760	N	94.3	Very high	96	Very high	129 Å²	129	56.9 Å²	56.9	69%	0.69	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.7	-178.4	63.7	-7.7	0	0	0	114.2	V758	V758-N760 PolarHBondContact O-N 3.35Å
761	E	97.8	Very high	96.2	Very high	79 Å²	79	57 Å²	57	37%	0.369	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.4	-175	-179.5	-176	174.9	0	0	111	R757 V758 R763	R757-E761 WeakPolarHBondContact CA-O 3.48Å; V758-E761 PolarHBondContact N-O 3.44Å; V758-E761 PolarHBondContact O-N 3.33Å; V758-E761 VanDerWaalsContact O-O 3.12Å; E761-R763 HydrophobicContact CG-CG 4.42Å; E761-R763 IonicContact OE1-CZ 3.79Å; E761-R763 IonicContact OE1-NE 2.78Å; E761-R763 PolarHBondContact OE1-NE 2.93Å; E761-R763 IonicContact OE1-NH2 3.89Å; E761-R763 PolarHBondContact OE1-NH2 3.24Å; E761-R763 IonicContact OE2-CZ 2.95Å; E761-R763 IonicContact OE2-NE 3.81Å; E761-R763 IonicContact OE2-NH2 3.22Å; E761-R763 PolarHBondContact OE2-NH2 2.98Å
762	T	98.1	Very high	96.6	Very high	77 Å²	77	56.3 Å²	56.3	47%	0.472	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.2	178.3	-54.3	0	0	0	0	110.3	W755 R757	W755-T762 HydrophobicContact CB-CG2 3.95Å; W755-T762 HydrophobicContact CD2-CG2 3.86Å; W755-T762 HydrophobicContact CE3-CG2 3.77Å; W755-T762 HydrophobicContact CG-CG2 3.97Å; R757-T762 HydrophobicContact CB-CG2 4.31Å
763	R	98.1	Very high	97	Very high	64 Å²	64	48.2 Å²	48.2	24%	0.242	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.2	179.2	-65	-174.3	179	165.9	7.9	110.9	W629 W755 L756 E761 L771	W629-R763 VanDerWaalsContact CG-CZ 3.45Å; W629-R763 HydrophobicContact CH2-CB 3.83Å; W629-R763 HydrophobicContact CH2-CG 3.91Å; W629-R763 HydrophobicContact CZ2-CB 3.97Å; W629-R763 HydrophobicContact CZ2-CG 3.67Å; W755-R763 WeakPolarHBondContact CA-O 3.49Å; W755-R763 WeakPolarHBondContact CB-O 3.35Å; L756-R763 PolarHBondContact N-O 3.38Å; L756-R763 PolarHBondContact O-N 3.23Å; E761-R763 HydrophobicContact CG-CG 4.42Å; E761-R763 IonicContact OE1-CZ 3.79Å; E761-R763 IonicContact OE1-NE 2.78Å; E761-R763 PolarHBondContact OE1-NE 2.93Å; E761-R763 IonicContact OE1-NH2 3.89Å; E761-R763 PolarHBondContact OE1-NH2 3.24Å; E761-R763 IonicContact OE2-CZ 2.95Å; E761-R763 IonicContact OE2-NE 3.81Å; E761-R763 IonicContact OE2-NH2 3.22Å; E761-R763 PolarHBondContact OE2-NH2 2.98Å; R763-L771 HydrophobicContact CB-CD1 3.96Å
764	P	97.3	Very high	97.1	Very high	82 Å²	82	45.6 Å²	45.6	53%	0.532	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	142.2	173.1	30.1	-34.3	0	0	0	110	I766	P764-I766 HydrophobicContact CG-CD1 4.47Å; P764-I766 HydrophobicContact CG-CG1 4.48Å
765	L	96.9	Very high	97.1	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.073	23%	0.226	C	C	.	.			trans	-76.1	133.8	166.9	-69.9	168.5	0	0	0	108.3	I745 V750 S754 L756 L771 Q789	I745-L765 HydrophobicContact CD1-CD2 4.09Å; I745-L765 HydrophobicContact CG1-CD2 4.42Å; I745-L765 HydrophobicContact CG2-CD2 4.43Å; V750-L765 HydrophobicContact CG1-CB 3.63Å; V750-L765 WeakPolarHBondContact CG1-O 3.46Å; V750-L765 HydrophobicContact CG2-CB 4.46Å; S754-L765 PolarHBondContact O-N 3.1Å; L756-L765 HydrophobicContact CB-CD2 4.48Å; L765-L771 HydrophobicContact CD2-CD1 4.05Å; L765-Q789 VanDerWaalsContact CD1-OE1 3.26Å
766	I	95.7	Very high	97	Very high	96 Å²	96	43.2 Å²	43.2	49%	0.492	22%	0.216	S	C	.	.			trans	-123.4	132.1	-175.9	-59.5	176.5	0	0	0	109.3	P764 G768 R769	P764-I766 HydrophobicContact CG-CD1 4.47Å; P764-I766 HydrophobicContact CG-CG1 4.48Å; I766-G768 PolarHBondContact O-N 2.62Å; I766-R769 HydrophobicContact CB-CB 4.06Å; I766-R769 HydrophobicContact CB-CG 4.07Å; I766-R769 HydrophobicContact CG2-CB 4.22Å; I766-R769 HydrophobicContact CG2-CG 3.69Å; I766-R769 PolarHBondContact O-N 3.39Å
767	L	96.5	Very high	97	Very high	75 Å²	75	43.9 Å²	43.9	39%	0.393	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-57.8	125.3	178.4	-177.4	66.1	0	0	0	111.3	W648 V748 R769	W648-L767 HydrophobicContact CE3-CD1 4.49Å; W648-L767 HydrophobicContact CE3-CG 4.5Å; W648-L767 HydrophobicContact CH2-CD2 4.12Å; W648-L767 HydrophobicContact CH2-CG 3.99Å; W648-L767 HydrophobicContact CZ3-CD1 3.87Å; W648-L767 HydrophobicContact CZ3-CD2 4.11Å; W648-L767 HydrophobicContact CZ3-CG 3.68Å; V748-L767 WeakPolarHBondContact O-CD1 3.44Å; L767-R769 VanDerWaalsContact C-N 3.31Å; L767-R769 PolarHBondContact O-N 3.2Å
768	G	96.5	Very high	96.9	Very high	5 Å²	5	42.5 Å²	42.5	5%	0.052	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	17.8	179	0	0	0	0	0	115.1	E645 G747 I766	E645-G768 WeakPolarHBondContact CG-O 3.3Å; G747-G768 PolarHBondContact O-N 3.09Å; I766-G768 PolarHBondContact O-N 2.62Å
769	R	96.6	Very high	96.9	Very high	143 Å²	143	43.4 Å²	43.4	54%	0.54	22%	0.218	S	C	.	.			trans	-121.5	148.9	176.2	-63.8	-58.7	-167.1	170.5	4.6	111.9	E645 G747 I766 L767	E645-R769 WeakPolarHBondContact OE1-CD 3.33Å; E645-R769 IonicContact OE1-CZ 2.82Å; E645-R769 IonicContact OE1-NE 3.65Å; E645-R769 IonicContact OE1-NH1 2.7Å; E645-R769 PolarHBondContact OE1-NH1 3.1Å; G747-R769 PolarHBondContact N-O 2.87Å; I766-R769 HydrophobicContact CB-CB 4.06Å; I766-R769 HydrophobicContact CB-CG 4.07Å; I766-R769 HydrophobicContact CG2-CB 4.22Å; I766-R769 HydrophobicContact CG2-CG 3.69Å; I766-R769 PolarHBondContact O-N 3.39Å; L767-R769 VanDerWaalsContact C-N 3.31Å; L767-R769 PolarHBondContact O-N 3.2Å
770	L	96.5	Very high	96.8	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.8	170.8	-70.6	168.1	0	0	0	111.7	M632 L641 F644 E645 I745 L746 L772	M632-L770 HydrophobicContact CE-CB 3.89Å; M632-L770 HydrophobicContact CE-CD1 3.65Å; M632-L770 HydrophobicContact CE-CG 4.33Å; L641-L770 HydrophobicContact CB-CD1 4.05Å; L641-L770 HydrophobicContact CD2-CD1 4.21Å; F644-L770 HydrophobicContact CD1-CD1 3.96Å; F644-L770 HydrophobicContact CD1-CD2 3.83Å; F644-L770 HydrophobicContact CD1-CG 4.45Å; F644-L770 HydrophobicContact CE1-CD2 3.8Å; E645-L770 HydrophobicContact CB-CD1 3.94Å; E645-L770 HydrophobicContact CB-CG 4.3Å; E645-L770 HydrophobicContact CG-CG 4.46Å; E645-L770 PolarHBondContact OE2-N 3.21Å; I745-L770 WeakPolarHBondContact O-CA 3.37Å; L746-L770 HydrophobicContact CB-CD2 3.71Å; L746-L770 HydrophobicContact CD1-CD2 4.1Å; L746-L770 HydrophobicContact CD1-CG 4.2Å; L746-L770 HydrophobicContact CG-CD2 4.44Å; L770-L772 HydrophobicContact CB-CD1 4.24Å
771	L	97.7	Very high	96.8	Very high	33 Å²	33	39 Å²	39	17%	0.173	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.7	152.3	-58.2	176.3	0	0	0	108.6	W629 A744 I745 L756 R763 L765	W629-L771 HydrophobicContact CH2-CD1 4.1Å; W629-L771 HydrophobicContact CZ3-CB 3.98Å; W629-L771 HydrophobicContact CZ3-CD1 4.01Å; W629-L771 HydrophobicContact CZ3-CG 4.47Å; A744-L771 WeakPolarHBondContact CA-O 3.42Å; I745-L771 HydrophobicContact CG2-CB 3.82Å; I745-L771 PolarHBondContact N-O 3.04Å; I745-L771 PolarHBondContact O-N 3.23Å; L756-L771 HydrophobicContact CD2-CD1 4.49Å; R763-L771 HydrophobicContact CB-CD1 3.96Å; L765-L771 HydrophobicContact CD2-CD1 4.05Å
772	L	97.8	Very high	96.7	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.1	172.9	-73.5	75.4	0	0	0	109.2	W630 M632 T635 L641 T743 A744 L770	W630-L772 HydrophobicContact CB-CB 3.92Å; W630-L772 PolarHBondContact N-O 3.18Å; M632-L772 HydrophobicContact CG-CD1 4.04Å; T635-L772 HydrophobicContact CG2-CD2 3.72Å; L641-L772 HydrophobicContact CD1-CD2 3.9Å; T743-L772 WeakPolarHBondContact O-CA 3.25Å; A744-L772 HydrophobicContact CB-CG 4.2Å; L770-L772 HydrophobicContact CB-CD1 4.24Å
773	F	98.2	Very high	96.6	Very high	10 Å²	10	35 Å²	35	4%	0.044	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	160.6	179.2	70.4	-77.9	0	0	0	112	P628 W629 L742 T743 I745 L756 V758 P775 H779	P628-F773 VanDerWaalsContact O-CA 3.28Å; P628-F773 WeakPolarHBondContact O-CA 3.39Å; P628-F773 VanDerWaalsContact O-CB 3.25Å; P628-F773 WeakPolarHBondContact O-CB 3.39Å; W629-F773 HydrophobicContact CD2-CB 4.49Å; W629-F773 HydrophobicContact CE3-CB 3.83Å; W629-F773 HydrophobicContact CZ3-CB 4.03Å; L742-F773 CarbonylContact C-O 3.49Å; T743-F773 HydrophobicContact CG2-CD1 4.36Å; T743-F773 HydrophobicContact CG2-CE1 3.52Å; T743-F773 HydrophobicContact CG2-CZ 3.78Å; T743-F773 PolarHBondContact N-O 2.72Å; T743-F773 WeakPolarHBondContact O-CD1 3.28Å; T743-F773 PolarHBondContact O-N 3.02Å; I745-F773 HydrophobicContact CG2-CD1 4.38Å; I745-F773 HydrophobicContact CG2-CE1 4.11Å; L756-F773 HydrophobicContact CD2-CD1 3.74Å; L756-F773 HydrophobicContact CD2-CE1 3.7Å; L756-F773 HydrophobicContact CD2-CG 4.3Å; L756-F773 HydrophobicContact CD2-CZ 4.23Å; V758-F773 HydrophobicContact CG1-CB 4.41Å; V758-F773 HydrophobicContact CG1-CD2 4.2Å; V758-F773 HydrophobicContact CG2-CB 3.86Å; V758-F773 HydrophobicContact CG2-CD2 3.7Å; V758-F773 HydrophobicContact CG2-CE2 4.41Å; V758-F773 HydrophobicContact CG2-CG 3.88Å; F773-P775 HydrophobicContact CD2-CB 4.3Å; F773-P775 HydrophobicContact CE2-CB 3.79Å; F773-P775 HydrophobicContact CZ-CB 4.49Å; F773-P775 WeakPolarHBondContact O-CD 3.5Å; F773-H779 HydrophobicContact CE2-CB 4.29Å; F773-H779 AromaticContact CE2-CD2 3.76Å; F773-H779 AromaticContact CE2-CG 3.81Å; F773-H779 AromaticContact CE2-NE2 3.96Å
774	D	97.6	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.			trans	-89.3	110	168.6	177	-9.1	0	0	0	108.2	Q615 K627 P628 L742 S776 F777	Q615-D774 PolarHBondContact NE2-OD2 3.09Å; K627-D774 WeakPolarHBondContact O-CB 3.23Å; P628-D774 PolarHBondContact O-N 3.39Å; L742-D774 HydrophobicContact CD2-CB 3.84Å; D774-S776 PolarHBondContact O-N 3.3Å; D774-S776 WeakPolarHBondContact OD1-CB 3.23Å; D774-S776 PolarHBondContact OD1-N 2.95Å; D774-S776 PolarHBondContact OD1-OG 2.64Å; D774-S776 PolarHBondContact OD2-OG 2.82Å; D774-F777 HydrophobicContact CB-CD2 3.86Å; D774-F777 HydrophobicContact CB-CE2 4.35Å; D774-F777 PolarHBondContact O-N 2.84Å; D774-F777 WeakPolarHBondContact OD2-CD2 3.47Å; D774-F777 WeakPolarHBondContact OD2-CE2 3.3Å
775	P	96.1	Very high	96	Very high	9 Å²	9	30.2 Å²	30.2	6%	0.058	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.8	-176.9	36	-40	0	0	0	112.8	A736 Y741 T743 F773 F777 H779	A736-P775 HydrophobicContact CB-CB 3.82Å; A736-P775 HydrophobicContact CB-CG 3.95Å; A736-P775 PolarHBondContact N-O 3.45Å; Y741-P775 WeakPolarHBondContact O-CD 3.29Å; T743-P775 WeakPolarHBondContact OG1-CG 3.5Å; F773-P775 HydrophobicContact CD2-CB 4.3Å; F773-P775 HydrophobicContact CE2-CB 3.79Å; F773-P775 HydrophobicContact CZ-CB 4.49Å; F773-P775 WeakPolarHBondContact O-CD 3.5Å; P775-F777 CarbonylContact C-O 3.6Å; P775-F777 PolarHBondContact O-N 3.17Å; P775-F777 VanDerWaalsContact O-O 3.1Å; P775-H779 PolarHBondContact O-CE1 2.99Å; P775-H779 PolarHBondContact O-ND1 3.27Å
776	S	95.7	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.3	172.3	73.6	0	0	0	0	112.3	Q615 R616 S617 C735 T738 D774	Q615-S776 WeakPolarHBondContact CA-O 3.14Å; Q615-S776 WeakPolarHBondContact CG-OG 2.97Å; Q615-S776 PolarHBondContact NE2-OG 3.06Å; R616-S776 PolarHBondContact N-O 3.35Å; S617-S776 WeakPolarHBondContact OG-CB 3.39Å; C735-S776 WeakPolarHBondContact CB-O 3.43Å; C735-S776 PolarHBondContact SG-O 2.88Å; C735-S776 VanDerWaalsContact SG-O 3.4Å; T738-S776 WeakPolarHBondContact O-CB 3.46Å; D774-S776 PolarHBondContact O-N 3.3Å; D774-S776 WeakPolarHBondContact OD1-CB 3.23Å; D774-S776 PolarHBondContact OD1-N 2.95Å; D774-S776 PolarHBondContact OD1-OG 2.64Å; D774-S776 PolarHBondContact OD2-OG 2.82Å
777	F	97.7	Very high	95.2	Very high	14 Å²	14	33.8 Å²	33.8	6%	0.061	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-73.8	149.7	165.3	-75.3	-94.2	0	0	0	111.3	Y614 Q615 A626 P628 V758 H759 D774 P775 H779	Y614-F777 CarbonylContact O-C 3.6Å; Y614-F777 VanDerWaalsContact O-CA 3.28Å; Y614-F777 WeakPolarHBondContact O-CA 3.13Å; Q615-F777 HydrophobicContact CB-CD1 4.14Å; Q615-F777 HydrophobicContact CB-CE1 4.14Å; Q615-F777 HydrophobicContact CB-CG 4.41Å; Q615-F777 HydrophobicContact CB-CZ 4.4Å; Q615-F777 HydrophobicContact CG-CD1 4.43Å; Q615-F777 HydrophobicContact CG-CD2 4.07Å; Q615-F777 HydrophobicContact CG-CE1 4.44Å; Q615-F777 HydrophobicContact CG-CE2 4.08Å; Q615-F777 HydrophobicContact CG-CG 4.26Å; Q615-F777 HydrophobicContact CG-CZ 4.28Å; A626-F777 HydrophobicContact CB-CE2 4Å; A626-F777 HydrophobicContact CB-CZ 3.94Å; P628-F777 HydrophobicContact CB-CG 4.38Å; P628-F777 HydrophobicContact CG-CD1 3.84Å; P628-F777 HydrophobicContact CG-CD2 4.42Å; P628-F777 HydrophobicContact CG-CE1 3.84Å; P628-F777 HydrophobicContact CG-CE2 4.43Å; P628-F777 HydrophobicContact CG-CG 4.13Å; P628-F777 HydrophobicContact CG-CZ 4.14Å; V758-F777 HydrophobicContact CG1-CB 3.94Å; H759-F777 HydrophobicContact CB-CD1 4.36Å; D774-F777 HydrophobicContact CB-CD2 3.86Å; D774-F777 HydrophobicContact CB-CE2 4.35Å; D774-F777 PolarHBondContact O-N 2.84Å; D774-F777 WeakPolarHBondContact OD2-CD2 3.47Å; D774-F777 WeakPolarHBondContact OD2-CE2 3.3Å; P775-F777 CarbonylContact C-O 3.6Å; P775-F777 PolarHBondContact O-N 3.17Å; P775-F777 VanDerWaalsContact O-O 3.1Å; F777-H779 PolarHBondContact O-N 3.3Å; F777-H779 PolarHBondContact O-ND1 3.4Å
778	E	97	Very high	94.9	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.176	C	C	.	.			trans	-56.8	123.3	174.1	-179.4	-173.2	111.1	0	0	110.2	Y598 Y614 R616 P733 H734 C735 R757 H759	Y598-E778 PolarHBondContact OH-OE1 2.81Å; Y598-E778 VanDerWaalsContact OH-OE1 3.11Å; Y598-E778 PolarHBondContact OH-OE2 3.17Å; Y614-E778 PolarHBondContact O-N 3.32Å; R616-E778 IonicContact CZ-OE2 3.01Å; R616-E778 VanDerWaalsContact CZ-OE2 3.29Å; R616-E778 IonicContact NH1-OE2 3.41Å; R616-E778 PolarHBondContact NH1-OE2 3.45Å; R616-E778 IonicContact NH2-OE2 3.18Å; R616-E778 PolarHBondContact NH2-OE2 3.02Å; P733-E778 VanDerWaalsContact CB-CD 3.48Å; P733-E778 HydrophobicContact CB-CG 3.56Å; H734-E778 CarbonylContact O-C 3.52Å; H734-E778 VanDerWaalsContact O-CA 3.32Å; H734-E778 WeakPolarHBondContact O-CA 3.18Å; C735-E778 VanDerWaalsContact SG-CA 3.59Å; C735-E778 PolarHBondContact SG-N 2.75Å; C735-E778 VanDerWaalsContact SG-N 3.44Å; R757-E778 IonicContact CZ-OE1 2.65Å; R757-E778 VanDerWaalsContact CZ-OE1 3.29Å; R757-E778 IonicContact NH1-OE1 2.97Å; R757-E778 PolarHBondContact NH1-OE1 2.68Å; R757-E778 IonicContact NH2-OE1 2.66Å; R757-E778 PolarHBondContact NH2-OE1 3.09Å; H759-E778 PolarHBondContact N-O 3.16Å
779	H	96.4	Very high	94.9	Very high	18 Å²	18	34.1 Å²	34.1	8%	0.083	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.1	176.8	58.9	-80.9	0	0	0	112.1	P733 H734 L756 R757 V758 F773 P775 F777	P733-H779 WeakPolarHBondContact CA-O 3.37Å; H734-H779 AromaticContact CD2-NE2 3.82Å; H734-H779 PolarHBondContact N-O 3.02Å; H734-H779 PolarHBondContact ND1-O 3.23Å; H734-H779 AromaticContact NE2-CD2 3.96Å; H734-H779 AromaticContact NE2-NE2 3.49Å; H734-H779 PolarHBondContact NE2-NE2 2.93Å; H734-H779 PolarHBondContact O-N 3.23Å; H734-H779 PolarHBondContact O-ND1 3.15Å; L756-H779 HydrophobicContact CD1-CB 4.24Å; R757-H779 CarbonylContact O-C 3.59Å; R757-H779 WeakPolarHBondContact O-CA 3.33Å; R757-H779 VanDerWaalsContact O-CB 3.26Å; R757-H779 WeakPolarHBondContact O-CB 3.47Å; V758-H779 HydrophobicContact CB-CB 4.38Å; V758-H779 HydrophobicContact CG1-CB 4.29Å; V758-H779 HydrophobicContact CG2-CB 3.98Å; F773-H779 HydrophobicContact CE2-CB 4.29Å; F773-H779 AromaticContact CE2-CD2 3.76Å; F773-H779 AromaticContact CE2-CG 3.81Å; F773-H779 AromaticContact CE2-NE2 3.96Å; P775-H779 PolarHBondContact O-CE1 2.99Å; P775-H779 PolarHBondContact O-ND1 3.27Å; F777-H779 PolarHBondContact O-N 3.3Å; F777-H779 PolarHBondContact O-ND1 3.4Å
780	R	94.8	Very high	94.9	Very high	58 Å²	58	27.4 Å²	27.4	22%	0.219	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	152.5	169.2	54.3	156.9	-170.7	-158.4	1.3	111.6	E730 T731 W755 R757	E730-R780 WeakPolarHBondContact OE1-CD 3.39Å; E730-R780 IonicContact OE1-CZ 3.61Å; E730-R780 IonicContact OE1-NE 3.49Å; E730-R780 PolarHBondContact OE1-NE 3.33Å; E730-R780 VanDerWaalsContact OE1-NE 3.15Å; E730-R780 IonicContact OE1-NH1 3.62Å; E730-R780 PolarHBondContact OE1-NH1 3.42Å; E730-R780 IonicContact OE1-NH2 2.75Å; T731-R780 WeakPolarHBondContact O-CB 3.5Å; W755-R780 HydrophobicContact CH2-CG 4.36Å; W755-R780 HydrophobicContact CZ3-CG 4.03Å; R757-R780 HydrophobicContact CB-CG 4.13Å; R757-R780 PolarHBondContact N-O 2.82Å; R757-R780 PolarHBondContact O-N 2.8Å
781	T	94.3	Very high	94.9	Very high	20 Å²	20	26.9 Å²	26.9	12%	0.123	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	148	-179.8	54.2	0	0	0	0	111.1	E730 T731 W755 L756	E730-T781 WeakPolarHBondContact CA-O 3.42Å; T731-T781 PolarHBondContact N-O 3.41Å; T731-T781 PolarHBondContact OG1-N 2.88Å; T731-T781 PolarHBondContact OG1-O 3.4Å; T731-T781 PolarHBondContact OG1-OG1 3.38Å; T731-T781 VanDerWaalsContact OG1-OG1 3.07Å; W755-T781 WeakPolarHBondContact O-CA 3.48Å; L756-T781 HydrophobicContact CB-CG2 4.4Å; L756-T781 HydrophobicContact CD1-CG2 3.7Å
782	Y	95.2	Very high	94.9	Very high	71 Å²	71	25.3 Å²	25.3	28%	0.278	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129.4	170.1	174.6	-104	0	0	0	110.3	T729 E730 G753 S754 W755	T729-Y782 WeakPolarHBondContact O-CA 3.25Å; E730-Y782 HydrophobicContact CB-CD2 4.05Å; E730-Y782 HydrophobicContact CG-CD2 4.48Å; G753-Y782 WeakPolarHBondContact O-CD1 3.32Å; S754-Y782 CarbonylContact C-O 3.44Å; S754-Y782 VanDerWaalsContact CA-O 3.27Å; S754-Y782 WeakPolarHBondContact CA-O 3.46Å; W755-Y782 AromaticContact CD1-CD1 3.9Å; W755-Y782 AromaticContact CE2-CG 3.92Å; W755-Y782 HydrophobicContact CZ2-CD1 4.46Å; W755-Y782 AromaticContact CZ2-CG 3.97Å; W755-Y782 HydrophobicContact CZ2-CG 3.97Å; W755-Y782 PolarHBondContact N-O 2.77Å; W755-Y782 AromaticContact NE1-CD1 3.43Å; W755-Y782 AromaticContact NE1-CG 3.81Å; W755-Y782 PolarHBondContact O-N 3.34Å
783	A	95	Very high	94.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.			trans	-91.5	112.5	172.8	0	0	0	0	0	109.6	T725 Y726 G728 T729 Q789	T725-A783 HydrophobicContact CG2-CB 3.61Å; Y726-A783 WeakPolarHBondContact O-CB 3.25Å; G728-A783 PolarHBondContact N-O 3.22Å; T729-A783 PolarHBondContact O-N 3.19Å; A783-Q789 HydrophobicContact CB-CB 3.73Å
784	G	92.6	Very high	94.7	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	14%	0.138	C	C	.	.			trans	-82.7	-171	-176.6	0	0	0	0	0	114.7	A727 P751 H752 S754	A727-G784 VanDerWaalsContact CB-O 3.29Å; A727-G784 WeakPolarHBondContact CB-O 3.26Å; P751-G784 WeakPolarHBondContact CB-O 3.37Å; H752-G784 CarbonylContact O-C 3.54Å; S754-G784 PolarHBondContact OG-N 3.45Å
785	G	90.2	Very high	94.6	Very high	46 Å²	46	25.8 Å²	25.8	47%	0.474	14%	0.142	S	C	.	.	S	Bend	trans	61.7	-131.4	165.7	0	0	0	0	0	114.8	H752	H752-G785 WeakPolarHBondContact O-CA 3.28Å; H752-G785 PolarHBondContact O-N 3.25Å
786	N	88.5	Confident	94.5	Very high	153 Å²	153	25.6 Å²	25.6	82%	0.818	14%	0.14	S	C	*	.	S	Bend	trans	-135.3	150.6	-178.7	-75.1	-29.2	0	0	0	109.9
787	G	89.1	Confident	94.3	Very high	32 Å²	32	26.5 Å²	26.5	33%	0.33	14%	0.143	S	C	.	.	S	Bend	trans	85.9	-129.4	176	0	0	0	0	0	112.8	Y726 A727	Y726-G787 WeakPolarHBondContact CD2-O 3.41Å; A727-G787 WeakPolarHBondContact CB-O 3.42Å; A727-G787 PolarHBondContact N-O 3.19Å
788	W	90.3	Very high	94.1	Very high	83 Å²	83	25.9 Å²	25.9	31%	0.314	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.6	-174.7	-66.5	90.4	0	0	0	111.5	W659 A724 Y726	W659-W788 HydrophobicContact CH2-CD2 4.37Å; W659-W788 HydrophobicContact CH2-CE3 4.07Å; W659-W788 HydrophobicContact CH2-CH2 4.16Å; W659-W788 HydrophobicContact CH2-CZ2 4.43Å; W659-W788 AromaticContact CH2-CZ3 3.96Å; W659-W788 HydrophobicContact CH2-CZ3 3.96Å; W659-W788 AromaticContact CZ2-CD2 3.51Å; W659-W788 HydrophobicContact CZ2-CD2 3.51Å; W659-W788 AromaticContact CZ2-CE2 3.59Å; W659-W788 AromaticContact CZ2-CE3 3.64Å; W659-W788 HydrophobicContact CZ2-CE3 3.64Å; W659-W788 HydrophobicContact CZ2-CG 4.1Å; W659-W788 HydrophobicContact CZ2-CH2 4.01Å; W659-W788 AromaticContact CZ2-CZ2 3.86Å; W659-W788 HydrophobicContact CZ2-CZ2 3.86Å; W659-W788 AromaticContact CZ2-CZ3 3.89Å; W659-W788 HydrophobicContact CZ2-CZ3 3.89Å; W659-W788 AromaticContact NE1-CD1 3.96Å; W659-W788 AromaticContact NE1-CG 3.95Å; A724-W788 HydrophobicContact CB-CE3 4.43Å; Y726-W788 AromaticContact CD2-CD2 3.95Å; Y726-W788 HydrophobicContact CD2-CD2 3.95Å; Y726-W788 AromaticContact CD2-CE2 3.59Å; Y726-W788 HydrophobicContact CD2-CE3 4.29Å; Y726-W788 AromaticContact CD2-CH2 3.97Å; Y726-W788 HydrophobicContact CD2-CH2 3.97Å; Y726-W788 AromaticContact CD2-CZ2 3.62Å; Y726-W788 HydrophobicContact CD2-CZ2 3.62Å; Y726-W788 HydrophobicContact CD2-CZ3 4.3Å; Y726-W788 HydrophobicContact CE2-CZ2 4.35Å; Y726-W788 HydrophobicContact CG-CH2 4.42Å; Y726-W788 HydrophobicContact CG-CZ2 4.48Å
789	Q	95.4	Very high	94	Very high	3 Å²	3	26.8 Å²	26.8	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133	156.4	173.3	179.1	-86.4	0	0	109	A724 T725 A749 S754 L765 A783 V791	A724-Q789 WeakPolarHBondContact CA-O 3.15Å; T725-Q789 PolarHBondContact N-O 3.37Å; T725-Q789 PolarHBondContact O-N 2.87Å; A749-Q789 CarbonylContact O-C 3.55Å; A749-Q789 WeakPolarHBondContact O-CA 3.46Å; S754-Q789 VanDerWaalsContact CB-OE1 3.26Å; L765-Q789 VanDerWaalsContact CD1-OE1 3.26Å; A783-Q789 HydrophobicContact CB-CB 3.73Å; Q789-V791 HydrophobicContact CG-CG1 4.07Å
790	L	96	Very high	93.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.3	171.6	-142.7	78.4	0	0	0	108.4	L656 W659 V723 A724 V748 A749	L656-L790 HydrophobicContact CD2-CD2 4.2Å; W659-L790 HydrophobicContact CB-CD1 4.44Å; W659-L790 HydrophobicContact CB-CD2 4.45Å; W659-L790 HydrophobicContact CD2-CD1 4.16Å; W659-L790 HydrophobicContact CE3-CD1 4.41Å; W659-L790 HydrophobicContact CG-CD1 4.15Å; V723-L790 WeakPolarHBondContact O-CA 3.27Å; A724-L790 HydrophobicContact CB-CD1 3.53Å; V748-L790 CarbonylContact C-O 3.58Å; V748-L790 WeakPolarHBondContact CA-O 3.45Å; V748-L790 HydrophobicContact CB-CB 4.48Å; V748-L790 WeakPolarHBondContact CB-O 3.23Å; V748-L790 HydrophobicContact CG1-CB 4.43Å; V748-L790 HydrophobicContact CG1-CD2 4.13Å; V748-L790 PolarHBondContact N-O 3.43Å; A749-L790 HydrophobicContact CB-CB 3.85Å; A749-L790 PolarHBondContact N-O 2.94Å; A749-L790 PolarHBondContact O-N 2.83Å
791	V	97	Very high	93.7	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.8	176.6	-62.2	0	0	0	0	110.5	V723 I745 L746 Q789	V723-V791 HydrophobicContact CB-CG2 3.81Å; V723-V791 PolarHBondContact N-O 2.84Å; V723-V791 PolarHBondContact O-N 2.65Å; I745-V791 HydrophobicContact CD1-CB 4.22Å; I745-V791 HydrophobicContact CD1-CG1 4.28Å; I745-V791 HydrophobicContact CD1-CG2 4.05Å; I745-V791 HydrophobicContact CG1-CB 4.04Å; I745-V791 HydrophobicContact CG1-CG1 4.33Å; I745-V791 HydrophobicContact CG1-CG2 4.29Å; L746-V791 WeakPolarHBondContact O-CA 3.49Å; L746-V791 WeakPolarHBondContact O-CB 3.38Å; Q789-V791 HydrophobicContact CG-CG1 4.07Å
792	L	97.6	Very high	93.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.5	169.3	174.8	54	0	0	0	107.9	F644 I651 L683 I701 I705 R721 L722 L746 V748 L794	F644-L792 HydrophobicContact CE2-CD2 3.83Å; F644-L792 HydrophobicContact CZ-CD2 3.56Å; F644-L792 HydrophobicContact CZ-CG 3.96Å; I651-L792 HydrophobicContact CG2-CD2 3.63Å; L683-L792 HydrophobicContact CD1-CD1 4.27Å; I701-L792 HydrophobicContact CG2-CD2 3.76Å; I705-L792 HydrophobicContact CD1-CD1 4.47Å; R721-L792 WeakPolarHBondContact O-CD1 3.37Å; L722-L792 HydrophobicContact CD2-CB 3.83Å; L722-L792 HydrophobicContact CD2-CD1 3.93Å; L722-L792 HydrophobicContact CD2-CG 4.3Å; L722-L792 HydrophobicContact CG-CD1 4.14Å; L746-L792 HydrophobicContact CB-CB 4.39Å; L746-L792 PolarHBondContact N-O 2.95Å; L746-L792 PolarHBondContact O-N 2.92Å; L746-L792 VanDerWaalsContact O-N 3.12Å; V748-L792 HydrophobicContact CG2-CB 4Å; L792-L794 HydrophobicContact CD1-CD2 4.31Å; L792-L794 HydrophobicContact CG-CD2 4.39Å
793	T	96.6	Very high	92.9	Very high	13 Å²	13	31.6 Å²	31.6	8%	0.08	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.8	173	56.1	0	0	0	0	110.1	A720 R721 T743 A744 I745	A720-T793 VanDerWaalsContact CA-O 3.3Å; A720-T793 WeakPolarHBondContact CA-O 3.29Å; R721-T793 PolarHBondContact N-O 2.6Å; R721-T793 PolarHBondContact O-N 3.01Å; R721-T793 PolarHBondContact O-OG1 3.15Å; T743-T793 HydrophobicContact CG2-CG2 4.28Å; A744-T793 CarbonylContact O-C 3.45Å; A744-T793 WeakPolarHBondContact O-CA 3.44Å; I745-T793 HydrophobicContact CB-CG2 4.21Å; I745-T793 HydrophobicContact CD1-CG2 4.19Å; I745-T793 HydrophobicContact CG1-CG2 4Å
794	L	96	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126	167.4	-52.7	-176.5	0	0	0	108	F644 I705 I708 T717 A720 A744 L792 L796	F644-L794 HydrophobicContact CD1-CD1 3.83Å; F644-L794 HydrophobicContact CD2-CD1 4.45Å; F644-L794 HydrophobicContact CE1-CD1 3.37Å; F644-L794 HydrophobicContact CE1-CG 3.82Å; F644-L794 HydrophobicContact CE2-CD1 4.03Å; F644-L794 HydrophobicContact CG-CD1 4.36Å; F644-L794 HydrophobicContact CZ-CD1 3.49Å; F644-L794 VanDerWaalsContact CZ-CD1 3.49Å; F644-L794 HydrophobicContact CZ-CD2 4.14Å; F644-L794 HydrophobicContact CZ-CG 3.77Å; I705-L794 HydrophobicContact CD1-CD2 3.75Å; I705-L794 HydrophobicContact CG1-CD2 3.76Å; I705-L794 HydrophobicContact CG2-CD2 4.31Å; I708-L794 HydrophobicContact CD1-CD1 3.94Å; T717-L794 HydrophobicContact CG2-CB 4.25Å; A720-L794 HydrophobicContact CB-CD2 3.51Å; A744-L794 PolarHBondContact N-O 3.23Å; A744-L794 PolarHBondContact O-N 2.86Å; L792-L794 HydrophobicContact CD1-CD2 4.31Å; L792-L794 HydrophobicContact CG-CD2 4.39Å; L794-L796 HydrophobicContact CB-CD2 4.3Å
795	D	94.5	Very high	92.1	Very high	14 Å²	14	40.7 Å²	40.7	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123	172.7	-66.2	-44.4	0	0	0	109	T717 A718 E719 R721 T743	T717-D795 CarbonylContact C-O 3.58Å; T717-D795 WeakPolarHBondContact CA-O 3.44Å; A718-D795 PolarHBondContact N-O 2.86Å; E719-D795 HydrophobicContact CB-CB 4.21Å; E719-D795 PolarHBondContact O-N 3.39Å; R721-D795 IonicContact NH2-OD2 2.67Å; R721-D795 PolarHBondContact NH2-OD2 2.94Å; T743-D795 WeakPolarHBondContact CA-OD1 3.22Å; T743-D795 VanDerWaalsContact CB-OD1 3.24Å; T743-D795 WeakPolarHBondContact CB-OD1 3.49Å; T743-D795 WeakPolarHBondContact CG2-OD1 3.29Å; T743-D795 PolarHBondContact OG1-OD1 2.68Å
796	L	93.5	Very high	91.8	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141	-172.8	-53.3	176	0	0	0	108.9	C637 L641 T717 Y741 L742 A744 L794 H798	C637-L796 HydrophobicContact CB-CD1 4.23Å; L641-L796 HydrophobicContact CD1-CD1 3.87Å; L641-L796 HydrophobicContact CD2-CD1 4.1Å; L641-L796 HydrophobicContact CG-CD1 4.42Å; T717-L796 HydrophobicContact CG2-CD2 4.37Å; Y741-L796 CarbonylContact C-O 3.57Å; Y741-L796 WeakPolarHBondContact CA-O 3.33Å; L742-L796 PolarHBondContact N-O 3.02Å; L742-L796 PolarHBondContact O-N 2.72Å; A744-L796 HydrophobicContact CB-CD1 4.17Å; L794-L796 HydrophobicContact CB-CD2 4.3Å; L796-H798 PolarHBondContact O-N 3.24Å
797	W	92.4	Very high	91.4	Very high	19 Å²	19	36.6 Å²	36.6	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	136.9	173.2	-72.2	89.8	0	0	0	111.1	R716 C740 Y741 L801 Q806 L809 N810	R716-W797 PolarHBondContact O-N 3Å; C740-W797 HydrophobicContact CB-CZ3 4.38Å; Y741-W797 HydrophobicContact CD1-CD2 4.21Å; Y741-W797 HydrophobicContact CD1-CE3 4.14Å; Y741-W797 HydrophobicContact CD1-CZ3 4.49Å; Y741-W797 AromaticContact CE1-CD2 3.7Å; Y741-W797 HydrophobicContact CE1-CD2 3.7Å; Y741-W797 AromaticContact CE1-CE2 3.76Å; Y741-W797 AromaticContact CE1-CE3 3.6Å; Y741-W797 HydrophobicContact CE1-CE3 3.6Å; Y741-W797 HydrophobicContact CE1-CG 4.42Å; Y741-W797 AromaticContact CE1-CH2 3.69Å; Y741-W797 HydrophobicContact CE1-CH2 3.69Å; Y741-W797 AromaticContact CE1-CZ2 3.78Å; Y741-W797 HydrophobicContact CE1-CZ2 3.78Å; Y741-W797 AromaticContact CE1-CZ3 3.6Å; Y741-W797 HydrophobicContact CE1-CZ3 3.6Å; Y741-W797 AromaticContact CZ-CH2 3.94Å; Y741-W797 WeakPolarHBondContact OH-CH2 3.21Å; W797-L801 HydrophobicContact CE3-CD1 3.76Å; W797-L801 HydrophobicContact CZ3-CD1 4.25Å; W797-Q806 HydrophobicContact CB-CG 4.26Å; W797-Q806 HydrophobicContact CD2-CB 4.21Å; W797-Q806 HydrophobicContact CD2-CG 3.84Å; W797-Q806 HydrophobicContact CE3-CB 4.26Å; W797-Q806 HydrophobicContact CE3-CG 3.83Å; W797-Q806 HydrophobicContact CG-CG 4.06Å; W797-L809 HydrophobicContact CH2-CB 3.57Å; W797-L809 HydrophobicContact CH2-CD1 4.49Å; W797-L809 HydrophobicContact CZ3-CB 3.77Å; W797-L809 HydrophobicContact CZ3-CD1 3.83Å; W797-L809 HydrophobicContact CZ3-CG 4.47Å; W797-N810 HydrophobicContact CH2-CB 4.41Å; W797-N810 HydrophobicContact CZ2-CB 3.95Å
798	H	94.3	Very high	90.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	19%	0.187	C	C	.	.			trans	-57.2	131.6	178.5	-171.9	-73.9	0	0	0	109.8	L624 T625 W630 C740 L796 E800 L801	L624-H798 HydrophobicContact CD1-CB 4.23Å; T625-H798 PolarHBondContact N-CE1 2.94Å; T625-H798 PolarHBondContact O-NE2 3.44Å; W630-H798 AromaticContact CH2-CE1 3.97Å; W630-H798 AromaticContact CH2-NE2 3.59Å; W630-H798 AromaticContact CZ2-NE2 3.16Å; W630-H798 WeakPolarHBondContact CZ2-NE2 3.2Å; C740-H798 WeakPolarHBondContact O-CB 3.21Å; C740-H798 PolarHBondContact O-N 3.44Å; L796-H798 PolarHBondContact O-N 3.24Å; H798-E800 VanDerWaalsContact CE1-CB 3.46Å; H798-E800 WeakPolarHBondContact CE1-CB 3.29Å; H798-E800 WeakPolarHBondContact CE1-CG 3.32Å; H798-E800 IonicContact CE1-OE1 3.15Å; H798-E800 PolarHBondContact CE1-OE1 3.32Å; H798-E800 IonicContact CE1-OE2 3.82Å; H798-E800 PolarHBondContact CE1-OE2 3.12Å; H798-E800 PolarHBondContact ND1-N 3.17Å; H798-E800 PolarHBondContact O-N 3.22Å; H798-L801 HydrophobicContact CB-CD1 3.97Å; H798-L801 HydrophobicContact CB-CG 4.2Å; H798-L801 WeakPolarHBondContact O-CB 3.42Å; H798-L801 PolarHBondContact O-N 2.96Å
799	P	93.5	Very high	89.9	Confident	20 Å²	20	35.5 Å²	35.5	13%	0.13	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.8	-165.1	23.8	-35.3	0	0	0	114.9	W630 N636 L742	W630-P799 HydrophobicContact CH2-CG 4.01Å; W630-P799 HydrophobicContact CZ3-CG 3.73Å; N636-P799 PolarHBondContact ND2-O 3.27Å; L742-P799 HydrophobicContact CD1-CG 4.37Å
800	E	93.9	Very high	88.3	Confident	89 Å²	89	38 Å²	38	42%	0.416	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-7.6	179.9	-65.4	164.9	179.3	0	0	113	L624 T625 H798	L624-E800 HydrophobicContact CD2-CB 4.01Å; T625-E800 VanDerWaalsContact CB-OE1 3.25Å; T625-E800 WeakPolarHBondContact CB-OE1 3.37Å; T625-E800 VanDerWaalsContact CB-OE2 3.25Å; T625-E800 WeakPolarHBondContact CB-OE2 3.2Å; T625-E800 PolarHBondContact N-OE2 3.04Å; T625-E800 VanDerWaalsContact OG1-CD 3.3Å; T625-E800 PolarHBondContact OG1-OE1 3.16Å; T625-E800 PolarHBondContact OG1-OE2 3.31Å; T625-E800 VanDerWaalsContact OG1-OE2 3.1Å; H798-E800 VanDerWaalsContact CE1-CB 3.46Å; H798-E800 WeakPolarHBondContact CE1-CB 3.29Å; H798-E800 WeakPolarHBondContact CE1-CG 3.32Å; H798-E800 IonicContact CE1-OE1 3.15Å; H798-E800 PolarHBondContact CE1-OE1 3.32Å; H798-E800 IonicContact CE1-OE2 3.82Å; H798-E800 PolarHBondContact CE1-OE2 3.12Å; H798-E800 PolarHBondContact ND1-N 3.17Å; H798-E800 PolarHBondContact O-N 3.22Å
801	L	91.4	Very high	85.7	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.218	C	C	.	.			trans	-74.1	125.6	175.7	-74.3	171.6	0	0	0	111.8	V621 L624 C740 W797 H798 Q805 Q806	V621-L801 HydrophobicContact CB-CD2 4.07Å; V621-L801 HydrophobicContact CG1-CD2 3.91Å; V621-L801 HydrophobicContact CG2-CD2 4Å; L624-L801 HydrophobicContact CD1-CD1 4.44Å; L624-L801 HydrophobicContact CD1-CD2 4.05Å; L624-L801 HydrophobicContact CD1-CG 4.1Å; L624-L801 HydrophobicContact CD2-CD2 3.98Å; L624-L801 HydrophobicContact CD2-CG 4.08Å; C740-L801 HydrophobicContact CB-CD1 3.75Å; C740-L801 WeakPolarHBondContact O-CD1 3.46Å; W797-L801 HydrophobicContact CE3-CD1 3.76Å; W797-L801 HydrophobicContact CZ3-CD1 4.25Å; H798-L801 HydrophobicContact CB-CD1 3.97Å; H798-L801 HydrophobicContact CB-CG 4.2Å; H798-L801 WeakPolarHBondContact O-CB 3.42Å; H798-L801 PolarHBondContact O-N 2.96Å; L801-Q805 HydrophobicContact CD2-CB 4.02Å; L801-Q806 HydrophobicContact CB-CG 4.02Å; L801-Q806 PolarHBondContact O-NE2 3.48Å
802	T	88.4	Confident	82.7	Confident	76 Å²	76	45.2 Å²	45.2	47%	0.466	24%	0.239	S	C	.	.			trans	-67	158.6	177.9	74.6	0	0	0	0	112	E804 Q805 Q806	T802-E804 PolarHBondContact O-N 2.79Å; T802-Q805 PolarHBondContact O-N 3.48Å; T802-Q805 VanDerWaalsContact O-N 3.13Å; T802-Q805 WeakPolarHBondContact OG1-CG 3.46Å; T802-Q805 PolarHBondContact OG1-N 3.21Å; T802-Q805 VanDerWaalsContact OG1-N 3.14Å; T802-Q806 WeakPolarHBondContact O-CG 3.23Å; T802-Q806 PolarHBondContact O-N 2.91Å
803	E	84	Confident	82	Confident	95 Å²	95	47.5 Å²	47.5	44%	0.444	25%	0.25	S	S	.	.	H	α-helix	trans	-61.4	-28.4	177.3	-63.7	-148.7	129.7	0	0	113.4	R716 Q807	R716-E803 IonicContact CZ-OE1 3.16Å; R716-E803 IonicContact NE-OE1 2.71Å; R716-E803 IonicContact NH2-OE1 3.88Å; R716-E803 PolarHBondContact NH2-OE1 3.13Å; R716-E803 IonicContact NH2-OE2 2.72Å; E803-Q807 WeakPolarHBondContact O-CB 3.49Å; E803-Q807 WeakPolarHBondContact O-CG 3.46Å; E803-Q807 PolarHBondContact O-N 2.66Å; E803-Q807 PolarHBondContact O-NE2 2.88Å; E803-Q807 VanDerWaalsContact O-NE2 3.12Å
804	E	84.7	Confident	81.2	Confident	126 Å²	126	49.3 Å²	49.3	59%	0.589	26%	0.259	S	S	*	.	H	α-helix	trans	-73.4	-42.3	173.9	-176.8	172.1	-172.2	0	0	111.4	K87 T802 Q807 S808	K87-E804 IonicContact NZ-OE1 2.73Å; K87-E804 PolarHBondContact NZ-OE1 2.59Å; T802-E804 PolarHBondContact O-N 2.79Å; E804-Q807 PolarHBondContact O-N 3.48Å; E804-S808 WeakPolarHBondContact O-CB 3.46Å; E804-S808 PolarHBondContact O-N 2.9Å; E804-S808 PolarHBondContact O-OG 3.43Å
805	Q	86.7	Confident	80.4	Confident	66 Å²	66	52 Å²	52	31%	0.308	27%	0.274	S	S	.	.	H	α-helix	trans	-59.4	-50.5	173.5	-74.2	169.2	-30.6	0	0	110.5	L801 T802 Q807 S808 L809	L801-Q805 HydrophobicContact CD2-CB 4.02Å; T802-Q805 PolarHBondContact O-N 3.48Å; T802-Q805 VanDerWaalsContact O-N 3.13Å; T802-Q805 WeakPolarHBondContact OG1-CG 3.46Å; T802-Q805 PolarHBondContact OG1-N 3.21Å; T802-Q805 VanDerWaalsContact OG1-N 3.14Å; Q805-Q807 VanDerWaalsContact C-N 3.35Å; Q805-Q807 PolarHBondContact O-N 3.04Å; Q805-S808 PolarHBondContact O-N 3.43Å; Q805-S808 VanDerWaalsContact O-N 3.14Å; Q805-S808 PolarHBondContact O-OG 2.85Å; Q805-L809 WeakPolarHBondContact O-CB 3.23Å; Q805-L809 VanDerWaalsContact O-CG 3.31Å; Q805-L809 WeakPolarHBondContact O-CG 3.25Å; Q805-L809 PolarHBondContact O-N 3Å
806	Q	84	Confident	79.5	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-55.4	-47	175.7	-65.8	176.2	25.6	0	0	111.7	R716 W797 L801 T802 L809 N810	R716-Q806 VanDerWaalsContact CD-OE1 3.27Å; W797-Q806 HydrophobicContact CB-CG 4.26Å; W797-Q806 HydrophobicContact CD2-CB 4.21Å; W797-Q806 HydrophobicContact CD2-CG 3.84Å; W797-Q806 HydrophobicContact CE3-CB 4.26Å; W797-Q806 HydrophobicContact CE3-CG 3.83Å; W797-Q806 HydrophobicContact CG-CG 4.06Å; L801-Q806 HydrophobicContact CB-CG 4.02Å; L801-Q806 PolarHBondContact O-NE2 3.48Å; T802-Q806 WeakPolarHBondContact O-CG 3.23Å; T802-Q806 PolarHBondContact O-N 2.91Å; Q806-L809 PolarHBondContact O-N 3.05Å; Q806-N810 VanDerWaalsContact O-CB 3.25Å; Q806-N810 WeakPolarHBondContact O-CB 3.2Å; Q806-N810 PolarHBondContact O-N 2.9Å
807	Q	79.4	Confident	78.7	Confident	110 Å²	110	57.4 Å²	57.4	51%	0.514	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-44.4	176	-78.5	172.2	68	0	0	112.3	E803 E804 Q805 L809 N810 V811	E803-Q807 WeakPolarHBondContact O-CB 3.49Å; E803-Q807 WeakPolarHBondContact O-CG 3.46Å; E803-Q807 PolarHBondContact O-N 2.66Å; E803-Q807 PolarHBondContact O-NE2 2.88Å; E803-Q807 VanDerWaalsContact O-NE2 3.12Å; E804-Q807 PolarHBondContact O-N 3.48Å; Q805-Q807 VanDerWaalsContact C-N 3.35Å; Q805-Q807 PolarHBondContact O-N 3.04Å; Q807-L809 PolarHBondContact O-N 3.07Å; Q807-N810 PolarHBondContact O-N 2.99Å; Q807-V811 VanDerWaalsContact O-CG2 3.3Å; Q807-V811 WeakPolarHBondContact O-CG2 3.26Å
808	S	75.2	Confident	77.8	Confident	56 Å²	56	59.9 Å²	59.9	39%	0.392	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-31.5	179.8	76.4	0	0	0	0	113	L80 E804 Q805	L80-S808 WeakPolarHBondContact CD2-O 3.3Å; E804-S808 WeakPolarHBondContact O-CB 3.46Å; E804-S808 PolarHBondContact O-N 2.9Å; E804-S808 PolarHBondContact O-OG 3.43Å; Q805-S808 PolarHBondContact O-N 3.43Å; Q805-S808 VanDerWaalsContact O-N 3.14Å; Q805-S808 PolarHBondContact O-OG 2.85Å
809	L	74.2	Confident	76.6	Confident	36 Å²	36	64.1 Å²	64.1	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-85.9	-26.9	179.1	-67.1	168.3	0	0	0	112.8	L80 V621 C740 W797 Q805 Q806 Q807	L80-L809 WeakPolarHBondContact CD1-O 3.41Å; V621-L809 HydrophobicContact CG2-CD1 4.21Å; C740-L809 HydrophobicContact CB-CD1 4.39Å; W797-L809 HydrophobicContact CH2-CB 3.57Å; W797-L809 HydrophobicContact CH2-CD1 4.49Å; W797-L809 HydrophobicContact CZ3-CB 3.77Å; W797-L809 HydrophobicContact CZ3-CD1 3.83Å; W797-L809 HydrophobicContact CZ3-CG 4.47Å; Q805-L809 WeakPolarHBondContact O-CB 3.23Å; Q805-L809 VanDerWaalsContact O-CG 3.31Å; Q805-L809 WeakPolarHBondContact O-CG 3.25Å; Q805-L809 PolarHBondContact O-N 3Å; Q806-L809 PolarHBondContact O-N 3.05Å; Q807-L809 PolarHBondContact O-N 3.07Å
810	N	61	Low	75.3	Confident	56 Å²	56	67.5 Å²	67.5	30%	0.299	36%	0.356	S	S	.	.	H	α-helix	trans	-84.4	-7.1	-176.8	-155.7	53.8	0	0	0	114.5	S687 W797 Q806 Q807 T812	S687-N810 VanDerWaalsContact CA-OD1 3.29Å; S687-N810 WeakPolarHBondContact CA-OD1 3.16Å; S687-N810 PolarHBondContact O-ND2 2.83Å; S687-N810 PolarHBondContact O-OD1 3.39Å; W797-N810 HydrophobicContact CH2-CB 4.41Å; W797-N810 HydrophobicContact CZ2-CB 3.95Å; Q806-N810 VanDerWaalsContact O-CB 3.25Å; Q806-N810 WeakPolarHBondContact O-CB 3.2Å; Q806-N810 PolarHBondContact O-N 2.9Å; Q807-N810 PolarHBondContact O-N 2.99Å; N810-T812 PolarHBondContact O-N 3.49Å
811	V	40.8	Very low	73.7	Confident	81 Å²	81	65.7 Å²	65.7	49%	0.491	35%	0.351	S	S	.	.			trans	-92.7	73.2	-174.6	178.3	0	0	0	0	112.3	R83 Q807	R83-V811 PolarHBondContact NH1-O 3.19Å; Q807-V811 VanDerWaalsContact O-CG2 3.3Å; Q807-V811 WeakPolarHBondContact O-CG2 3.26Å
812	T	34.9	Very low	72.1	Confident	75 Å²	75	71 Å²	71	46%	0.46	38%	0.379	S	S	.	.			trans	-148.6	0	160.1	43.4	0	0	0	0	112.6	R76 L80 N810	R76-T812 HydrophobicContact CG-CG2 4.4Å; R76-T812 PolarHBondContact NE-O 3.27Å; R76-T812 PolarHBondContact NE-OG1 2.92Å; R76-T812 PolarHBondContact NH2-O 3.39Å; L80-T812 HydrophobicContact CD2-CG2 3.99Å; L80-T812 HydrophobicContact CG-CG2 4.11Å; N810-T812 PolarHBondContact O-N 3.49Å

Retrieved 812 of 812 residues in 129.4 ms (Link to these results)

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