A0A087YNT8_POEFO Loading...

4-aminobutyrate aminotransferase, mitochondrial

Catalyzes the conversion of gamma-aminobutyrate and L-beta-aminoisobutyrate to succinate semialdehyde and methylmalonate semialdehyde, respectively. Can also convert delta-aminovalerate and beta-alanine.

AlphaFold DB , UniProt , Accession A0A087YNT8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 501 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	31.7	Very low	237 Å²	237	150.7 Å²	150.7	100%	1.167	85%	0.85	S	S	*	*				0	78.8	0	-66.2	-160.8	-80	0	0	106.7
2	A	28.7	Very low	31.6	Very low	91 Å²	91	151.4 Å²	151.4	75%	0.752	85%	0.848	S	S	*	*				71.1	115.2	78.8	0	0	0	0	0	112.2
3	S	27.4	Very low	31.4	Very low	115 Å²	115	147.2 Å²	147.2	80%	0.804	83%	0.833	S	S	*	*			trans	84	92.2	152.3	-45	0	0	0	0	118.1
4	C	31.5	Very low	31.2	Very low	128 Å²	128	144.1 Å²	144.1	87%	0.865	82%	0.819	S	S	*	*				174.8	94.6	129.7	-105.9	0	0	0	0	109.4
5	L	32.3	Very low	31	Very low	176 Å²	176	145.9 Å²	145.9	92%	0.921	82%	0.817	S	S	*	*			trans	-174.4	50.5	160.8	-103.2	165.5	0	0	0	111.4
6	I	33.2	Very low	31	Very low	175 Å²	175	148.2 Å²	148.2	90%	0.897	82%	0.816	S	S	*	*			trans	-142.4	99	163.2	-55.3	179.2	0	0	0	107.6
7	G	34.8	Very low	30.9	Very low	72 Å²	72	146.9 Å²	146.9	74%	0.742	81%	0.808	S	S	*	*			trans	-176.2	45.2	-178.6	0	0	0	0	0	112.9
8	R	32.4	Very low	30.8	Very low	233 Å²	233	147 Å²	147	88%	0.879	81%	0.806	S	S	*	*	S	Bend	trans	-159	14.6	168.9	-115.4	172.5	-167.4	-149.4	2.7	116.5
9	Q	31.3	Very low	30.9	Very low	191 Å²	191	149.6 Å²	149.6	89%	0.893	80%	0.803	S	S	*	*	S	Bend	trans	-119.7	14.4	-178.1	-101.8	-174.1	-15.4	0	0	115.9
10	L	30.4	Very low	31.3	Very low	143 Å²	143	149.2 Å²	149.2	75%	0.749	80%	0.799	S	S	*	*	S	Bend	trans	-116.6	0.8	-179.9	-97.5	148.8	0	0	0	115.7
11	S	29.3	Very low	31.4	Very low	97 Å²	97	150.1 Å²	150.1	68%	0.678	81%	0.805	S	S	*	*	S	Bend	trans	-97.2	-4.2	179.8	-7.2	0	0	0	0	114.7
12	L	30.2	Very low	31.2	Very low	159 Å²	159	142.9 Å²	142.9	83%	0.832	78%	0.777	S	S	*	*	S	Bend	trans	-105.2	-2.4	-177.4	-92.4	149.5	0	0	0	114.3
13	C	29.4	Very low	31.7	Very low	96 Å²	96	144 Å²	144	65%	0.649	79%	0.786	S	S	*	*	S	Bend	trans	-107.6	-5.3	-176.9	-145.7	0	0	0	0	114.3
14	V	28.1	Very low	32.7	Very low	105 Å²	105	141.1 Å²	141.1	64%	0.636	78%	0.775	S	S	*	*	S	Bend	trans	-104.3	-14.2	-176.1	-177	0	0	0	0	113.6
15	Q	28.2	Very low	33.6	Very low	170 Å²	170	137.6 Å²	137.6	79%	0.794	75%	0.751	S	S	*	*	S	Bend	trans	-88	-8.6	175.6	-89.1	-177.8	-27.7	0	0	115.1
16	K	30.9	Very low	35.2	Very low	183 Å²	183	138.7 Å²	138.7	80%	0.796	74%	0.743	S	S	*	*	S	Bend	trans	-89.9	-7.3	-179.6	-90.6	-176.4	172.9	-177.3	0	115.2
17	N	29.9	Very low	37	Very low	127 Å²	127	132 Å²	132	68%	0.679	71%	0.707	S	S	*	*	S	Bend	trans	-113.7	16.4	-174.6	-77.4	-14	0	0	0	115.3
18	L	29.2	Very low	37.8	Very low	148 Å²	148	134.6 Å²	134.6	78%	0.775	71%	0.708	S	S	*	*	S	Bend	trans	-108.2	10.2	175.2	-88.6	154.8	0	0	0	114.3
19	W	32.5	Very low	38.5	Very low	197 Å²	197	126.4 Å²	126.4	75%	0.746	69%	0.686	S	S	*	*			trans	-100.2	20.5	173.8	-86.8	78.7	0	0	0	113.6
20	L	38.2	Very low	39.1	Very low	140 Å²	140	126.8 Å²	126.8	73%	0.733	69%	0.685	S	S	*	*	S	Bend	trans	-104.5	117.5	171.4	-77.9	154.1	0	0	0	108.1
21	N	33.9	Very low	39.6	Very low	170 Å²	170	124.8 Å²	124.8	91%	0.909	69%	0.689	S	S	*	*	S	Bend	trans	83.7	55.1	176.1	-64.4	-16.2	0	0	0	118.9
22	S	32.9	Very low	40.2	Very low	84 Å²	84	123.9 Å²	123.9	59%	0.587	69%	0.688	S	S	*	*			trans	-127.9	108.9	149.3	64.7	0	0	0	0	111.5	G24	S22-G24 PolarHBondContact O-N 3.43Å; S22-G24 VanDerWaalsContact O-N 3.17Å
23	A	40.6	Very low	40.5	Very low	114 Å²	114	120.5 Å²	120.5	94%	0.942	68%	0.683	S	S	*	*	S	Bend	trans	-65.5	105.4	158.3	0	0	0	0	0	107.5
24	G	47	Very low	41.2	Very low	56 Å²	56	123.1 Å²	123.1	58%	0.577	68%	0.683	S	S	*	*			trans	146.7	33.4	173.1	0	0	0	0	0	118.5	S22 R26	S22-G24 PolarHBondContact O-N 3.43Å; S22-G24 VanDerWaalsContact O-N 3.17Å; G24-R26 VanDerWaalsContact C-N 3.31Å; G24-R26 PolarHBondContact O-N 2.64Å
25	C	51.4	Low	41.7	Very low	53 Å²	53	124.2 Å²	124.2	36%	0.358	69%	0.69	S	S	.	*			trans	-73.3	90.2	166.3	-163.1	0	0	0	0	108.8
26	R	64.9	Low	42.6	Very low	200 Å²	200	124.5 Å²	124.5	76%	0.755	69%	0.691	S	S	*	*			trans	-82	130.3	173.1	-71.6	-171.1	177.3	-156.3	-1.5	109.2	G24 V28	G24-R26 VanDerWaalsContact C-N 3.31Å; G24-R26 PolarHBondContact O-N 2.64Å; R26-V28 PolarHBondContact O-N 2.7Å; R26-V28 VanDerWaalsContact O-N 3.13Å
27	Y	71.1	Confident	43.4	Very low	35 Å²	35	123 Å²	123	14%	0.137	70%	0.697	C	S	.	*			trans	-70	104.5	167.5	-67.3	-88.2	0	0	0	108.3	E422 L490 N491	Y27-E422 WeakPolarHBondContact CE1-OE2 3.43Å; Y27-E422 VanDerWaalsContact CZ-OE2 3.29Å; Y27-E422 PolarHBondContact OH-OE2 2.63Å; Y27-L490 HydrophobicContact CD1-CB 4.48Å; Y27-L490 HydrophobicContact CD1-CD1 3.84Å; Y27-L490 HydrophobicContact CD2-CB 3.51Å; Y27-L490 HydrophobicContact CD2-CD1 4.35Å; Y27-L490 HydrophobicContact CE1-CD1 3.77Å; Y27-L490 HydrophobicContact CE2-CB 3.65Å; Y27-L490 HydrophobicContact CE2-CD1 4.3Å; Y27-L490 HydrophobicContact CE2-CG 4.44Å; Y27-L490 HydrophobicContact CG-CB 3.96Å; Y27-L490 HydrophobicContact CG-CD1 4.13Å; Y27-N491 WeakPolarHBondContact CB-OD1 3.38Å; Y27-N491 PolarHBondContact N-OD1 3.43Å; Y27-N491 PolarHBondContact O-ND2 3.4Å
28	V	52.7	Low	45	Very low	126 Å²	126	120.2 Å²	120.2	76%	0.764	68%	0.68	S	S	*	*			trans	-84.4	112.5	178.3	-176.8	0	0	0	0	108.3	R26 K30	R26-V28 PolarHBondContact O-N 2.7Å; R26-V28 VanDerWaalsContact O-N 3.13Å; V28-K30 PolarHBondContact O-N 3.17Å
29	S	47.2	Very low	47.7	Very low	60 Å²	60	116.2 Å²	116.2	42%	0.42	66%	0.655	S	S	.	*			trans	-70.5	130.7	166.7	72	0	0	0	0	108.8	A31	S29-A31 PolarHBondContact O-N 3.22Å
30	K	42.8	Very low	50.6	Low	199 Å²	199	108.1 Å²	108.1	87%	0.865	63%	0.626	S	S	*	*			trans	-64.3	126.9	158.8	-79.9	-178.3	178.4	176.6	0	106.1	V28 A32	V28-K30 PolarHBondContact O-N 3.17Å; K30-A32 PolarHBondContact O-N 2.99Å
31	A	40.4	Very low	53.3	Low	101 Å²	101	103.7 Å²	103.7	84%	0.835	60%	0.6	S	S	*	*			trans	-55.3	105.7	172.9	0	0	0	0	0	108.3	S29 A33	S29-A31 PolarHBondContact O-N 3.22Å; A31-A33 PolarHBondContact O-N 2.92Å
32	A	42	Very low	56.2	Low	79 Å²	79	101.4 Å²	101.4	65%	0.653	59%	0.588	S	S	*	*			trans	-62.5	131.8	168.3	0	0	0	0	0	106.7	K30 K34	K30-A32 PolarHBondContact O-N 2.99Å; A32-K34 PolarHBondContact O-N 3.34Å
33	A	37.1	Very low	59.2	Low	88 Å²	88	98 Å²	98	73%	0.727	57%	0.566	S	S	*	*			trans	-55.5	112.6	171.6	0	0	0	0	0	107.6	A31 T35	A31-A33 PolarHBondContact O-N 2.92Å; A33-T35 PolarHBondContact O-N 2.91Å; A33-T35 PolarHBondContact O-OG1 3.37Å
34	K	43.2	Very low	61.9	Low	151 Å²	151	94.5 Å²	94.5	66%	0.657	53%	0.534	S	S	*	.			trans	-67.9	82.8	179	-80.3	-173.6	171.6	-172.5	0	109	A32 D42	A32-K34 PolarHBondContact O-N 3.34Å; K34-D42 IonicContact NZ-OD1 3.36Å; K34-D42 PolarHBondContact NZ-OD1 3.41Å
35	T	39.1	Very low	64.4	Low	127 Å²	127	95.9 Å²	95.9	78%	0.779	53%	0.527	S	S	*	.			trans	-89.7	113	165.8	26.3	0	0	0	0	108.3	A33	A33-T35 PolarHBondContact O-N 2.91Å; A33-T35 PolarHBondContact O-OG1 3.37Å
36	Q	47	Very low	66.6	Low	177 Å²	177	96 Å²	96	83%	0.827	52%	0.523	S	S	*	.	S	Bend	trans	80.3	129.8	-170.7	-69.1	175.9	-24.8	0	0	115.3	E38	Q36-E38 PolarHBondContact O-N 3.27Å
37	V	48.4	Very low	68.2	Low	150 Å²	150	93.1 Å²	93.1	91%	0.909	52%	0.517	S	S	*	.			trans	-56.5	105.7	174.3	-179.8	0	0	0	0	107.3	Y39	V37-Y39 PolarHBondContact O-N 3.16Å
38	E	64.3	Low	69.5	Low	69 Å²	69	93.9 Å²	93.9	32%	0.322	53%	0.525	S	S	.	.			trans	-61.9	128.7	179.6	-89.7	-179.3	149.5	0	0	108.9	Q36 D40 K482 Y484	Q36-E38 PolarHBondContact O-N 3.27Å; E38-D40 PolarHBondContact O-N 3.13Å; E38-D40 VanDerWaalsContact O-N 3.09Å; E38-K482 IonicContact OE1-NZ 3.39Å; E38-K482 PolarHBondContact OE1-NZ 2.8Å; E38-Y484 WeakPolarHBondContact OE1-CE1 3.43Å; E38-Y484 PolarHBondContact OE1-OH 3.29Å; E38-Y484 PolarHBondContact OE2-OH 3.28Å
39	Y	85.6	Confident	71.5	Confident	65 Å²	65	92.2 Å²	92.2	26%	0.255	52%	0.515	S	S	.	.	S	Bend	trans	-57	-15.8	171.1	162	-109.8	0	0	0	112.9	V37 R81 G82 Y107 N108 P110	V37-Y39 PolarHBondContact O-N 3.16Å; Y39-R81 HydrophobicContact CE1-CB 4.4Å; Y39-R81 HydrophobicContact CE2-CB 4.15Å; Y39-R81 HydrophobicContact CE2-CG 4.2Å; Y39-R81 VanDerWaalsContact OH-CA 3.26Å; Y39-R81 WeakPolarHBondContact OH-CA 3.38Å; Y39-R81 WeakPolarHBondContact OH-CB 3.37Å; Y39-G82 PolarHBondContact OH-N 2.96Å; Y39-Y107 VanDerWaalsContact CE1-O 3.22Å; Y39-Y107 WeakPolarHBondContact CE1-O 3.47Å; Y39-Y107 VanDerWaalsContact OH-C 3.26Å; Y39-Y107 PolarHBondContact OH-O 3.07Å; Y39-N108 WeakPolarHBondContact CE2-O 3.21Å; Y39-N108 VanDerWaalsContact CZ-C 3.43Å; Y39-N108 WeakPolarHBondContact OH-CA 3.33Å; Y39-N108 WeakPolarHBondContact OH-CB 3.15Å; Y39-N108 PolarHBondContact OH-O 3.4Å; Y39-P110 HydrophobicContact CD1-CG 4.38Å; Y39-P110 VanDerWaalsContact CD2-CD 3.44Å; Y39-P110 HydrophobicContact CD2-CG 3.33Å; Y39-P110 HydrophobicContact CE2-CG 3.88Å; Y39-P110 VanDerWaalsContact CG-CD 3.49Å; Y39-P110 HydrophobicContact CG-CG 3.66Å
40	D	92.6	Very high	74	Confident	26 Å²	26	89.7 Å²	89.7	14%	0.139	50%	0.497	C	S	.	.	S	Bend	trans	-89.5	169.6	-174.7	-142.7	-14.7	0	0	0	113.5	E38 G82 N83 Y84 H485	E38-D40 PolarHBondContact O-N 3.13Å; E38-D40 VanDerWaalsContact O-N 3.09Å; D40-G82 WeakPolarHBondContact OD1-CA 3.42Å; D40-N83 PolarHBondContact OD1-N 3.47Å; D40-N83 VanDerWaalsContact OD1-N 3.12Å; D40-N83 PolarHBondContact OD2-N 3.39Å; D40-N83 VanDerWaalsContact OD2-N 3.15Å; D40-N83 PolarHBondContact OD2-ND2 3.45Å; D40-Y84 WeakPolarHBondContact OD1-CD2 3.26Å; D40-Y84 VanDerWaalsContact OD1-CE2 3.31Å; D40-Y84 WeakPolarHBondContact OD1-CE2 3.43Å; D40-H485 IonicContact OD2-CE1 3.59Å; D40-H485 IonicContact OD2-NE2 2.88Å; D40-H485 PolarHBondContact OD2-NE2 2.93Å
41	Y	95.8	Very high	76.6	Confident	48 Å²	48	82 Å²	82	19%	0.188	47%	0.468	C	S	.	.			trans	-86.9	155.4	170.2	-64.4	-79.5	0	0	0	112	G43 D79 R81 Y84 R92	Y41-G43 VanDerWaalsContact C-N 3.29Å; Y41-G43 PolarHBondContact O-N 3.41Å; Y41-D79 WeakPolarHBondContact CE2-O 3.36Å; Y41-D79 PolarHBondContact OH-O 2.76Å; Y41-R81 HydrophobicContact CD2-CB 4.05Å; Y41-R81 HydrophobicContact CE2-CB 3.66Å; Y41-R81 HydrophobicContact CE2-CG 3.91Å; Y41-Y84 HydrophobicContact CD2-CD2 4.06Å; Y41-Y84 HydrophobicContact CD2-CG 4.15Å; Y41-Y84 HydrophobicContact CG-CD2 4.4Å; Y41-Y84 WeakPolarHBondContact O-CE2 3.32Å; Y41-Y84 PolarHBondContact O-OH 3.44Å; Y41-R92 VanDerWaalsContact CD1-NH1 3.32Å; Y41-R92 VanDerWaalsContact CD2-CD 3.42Å; Y41-R92 HydrophobicContact CD2-CG 4.44Å; Y41-R92 VanDerWaalsContact CG-CD 3.42Å
42	D	94	Very high	79.3	Confident	122 Å²	122	77.2 Å²	77.2	65%	0.652	43%	0.428	S	S	*	.	S	Bend	trans	-72.7	-18.3	178.9	-70.2	-51.8	0	0	0	113.9	K34	K34-D42 IonicContact NZ-OD1 3.36Å; K34-D42 PolarHBondContact NZ-OD1 3.41Å
43	G	96	Very high	82	Confident	13 Å²	13	77.7 Å²	77.7	13%	0.134	42%	0.424	C	S	.	.	S	Bend	trans	172.3	170.2	-175.2	0	0	0	0	0	114.1	Y41 Y84 R92	Y41-G43 VanDerWaalsContact C-N 3.29Å; Y41-G43 PolarHBondContact O-N 3.41Å; G43-Y84 VanDerWaalsContact CA-OH 3.31Å; G43-Y84 WeakPolarHBondContact CA-OH 3.45Å; G43-Y84 PolarHBondContact N-OH 2.88Å; G43-R92 VanDerWaalsContact O-CZ 3.31Å; G43-R92 PolarHBondContact O-NE 2.8Å; G43-R92 PolarHBondContact O-NH2 3.39Å
44	P	97.9	Very high	85	Confident	40 Å²	40	79.5 Å²	79.5	26%	0.26	41%	0.412	S	S	.	.			trans	-65.4	156.3	176.3	28.2	-33.3	0	0	0	112	R92 G462 I492	P44-R92 CarbonylContact C-O 3.57Å; P44-R92 WeakPolarHBondContact CA-O 3.33Å; P44-R92 VanDerWaalsContact CB-O 3.31Å; P44-R92 WeakPolarHBondContact CB-O 3.5Å; P44-G462 WeakPolarHBondContact CB-O 3.44Å; P44-I492 HydrophobicContact CG-CD1 3.79Å
45	L	98.3	Very high	87.6	Confident	84 Å²	84	72.3 Å²	72.3	44%	0.44	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-146.3	104.1	177.4	177.5	66.6	0	0	0	109.1	R92	L45-R92 HydrophobicContact CB-CB 4.2Å; L45-R92 PolarHBondContact N-O 2.83Å; L45-R92 PolarHBondContact O-N 3.47Å
46	M	98.4	Very high	90.4	Very high	55 Å²	55	71.3 Å²	71.3	27%	0.271	37%	0.368	S	S	.	.			trans	-96	135.9	-178.8	-56.1	-52	-73.2	0	0	110.7	V50 N91 M93 R459 G462	M46-V50 HydrophobicContact CE-CG2 3.56Å; M46-N91 HydrophobicContact CE-CB 3.75Å; M46-N91 HydrophobicContact SD-CB 3.97Å; M46-M93 HydrophobicContact CE-CG 4.15Å; M46-M93 HydrophobicContact SD-CG 3.93Å; M46-R459 WeakPolarHBondContact CE-O 3.49Å; M46-G462 WeakPolarHBondContact SD-CA 3.45Å
47	K	98.1	Very high	92.9	Very high	141 Å²	141	66.9 Å²	66.9	61%	0.613	35%	0.347	S	S	*	.			trans	-117.4	-32.1	179.1	-62.4	-175.5	-175.3	172.4	0	112.2	G90 N91	K47-G90 WeakPolarHBondContact CD-O 3.49Å; K47-G90 VanDerWaalsContact CE-O 3.27Å; K47-G90 WeakPolarHBondContact CE-O 3.36Å; K47-N91 PolarHBondContact N-OD1 2.77Å
48	T	97.8	Very high	95.3	Very high	50 Å²	50	61.1 Å²	61.1	31%	0.307	31%	0.311	S	S	.	.	S	Bend	trans	-139.3	171	-178.3	65.5	0	0	0	0	110.1	N91	T48-N91 PolarHBondContact N-OD1 3.24Å; T48-N91 PolarHBondContact O-OD1 2.99Å; T48-N91 PolarHBondContact OG1-ND2 3.46Å
49	T	96.4	Very high	96.9	Very high	92 Å²	92	59.3 Å²	59.3	56%	0.564	30%	0.304	S	S	*	.			trans	-65.6	154.5	163.3	52.4	0	0	0	0	110.1	P51 G52	T49-P51 CarbonylContact O-C 3.21Å; T49-G52 WeakPolarHBondContact O-CA 3.43Å; T49-G52 PolarHBondContact O-N 3.06Å
50	V	97.9	Very high	97.5	Very high	6 Å²	6	62.9 Å²	62.9	4%	0.036	32%	0.321	C	S	.	.	S	Bend	trans	-111.6	127.9	177.1	-174.3	0	0	0	0	109.8	M46 F73 N91 M93 R459 D460	M46-V50 HydrophobicContact CE-CG2 3.56Å; V50-F73 HydrophobicContact CG1-CB 3.9Å; V50-F73 HydrophobicContact CG1-CD1 3.3Å; V50-F73 HydrophobicContact CG1-CE1 3.93Å; V50-F73 HydrophobicContact CG1-CG 3.7Å; V50-N91 HydrophobicContact CG2-CB 4.44Å; V50-M93 HydrophobicContact CG2-SD 4.22Å; V50-R459 HydrophobicContact CB-CG 3.91Å; V50-R459 HydrophobicContact CG1-CG 3.95Å; V50-R459 HydrophobicContact CG2-CG 4.3Å; V50-R459 VanDerWaalsContact O-CZ 3.32Å; V50-R459 PolarHBondContact O-NE 2.84Å; V50-R459 PolarHBondContact O-NH2 3.38Å; V50-D460 PolarHBondContact N-OD1 2.8Å; V50-D460 VanDerWaalsContact N-OD1 3.12Å
51	P	98.1	Very high	97.8	Very high	39 Å²	39	65.7 Å²	65.7	25%	0.253	33%	0.334	S	S	.	.	S	Bend	cis	-71	138.5	-3.5	29.3	-34.2	0	0	0	112.3	T49 Q56 F73	T49-P51 CarbonylContact O-C 3.21Å; P51-Q56 HydrophobicContact CB-CG 4.22Å; P51-Q56 HydrophobicContact CG-CG 4.09Å; P51-Q56 PolarHBondContact O-NE2 3.24Å; P51-F73 HydrophobicContact CB-CB 4.14Å
52	G	98.3	Very high	97.9	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.335	C	S	.	.			trans	-78.9	174.5	175.2	0	0	0	0	0	112.8	T49 R54 S55 Q56 D89	T49-G52 WeakPolarHBondContact O-CA 3.43Å; T49-G52 PolarHBondContact O-N 3.06Å; G52-R54 VanDerWaalsContact C-N 3.27Å; G52-R54 PolarHBondContact O-N 3.3Å; G52-S55 PolarHBondContact O-N 3.43Å; G52-S55 VanDerWaalsContact O-N 3.14Å; G52-Q56 WeakPolarHBondContact O-CG 3.41Å; G52-Q56 PolarHBondContact O-N 3.34Å; G52-D89 VanDerWaalsContact CA-CG 3.41Å; G52-D89 WeakPolarHBondContact CA-OD1 3.38Å; G52-D89 WeakPolarHBondContact CA-OD2 3.49Å; G52-D89 PolarHBondContact N-OD2 3.21Å
53	P	98.6	Very high	98.1	Very high	88 Å²	88	61.3 Å²	61.3	57%	0.571	32%	0.321	S	S	*	.	H	α-helix	trans	-53.1	-39.2	-177.2	-28.1	35	0	0	0	114.5	Q56 E57 D89	P53-Q56 PolarHBondContact O-N 2.96Å; P53-E57 PolarHBondContact O-N 2.86Å; P53-D89 WeakPolarHBondContact CD-OD1 3.5Å; P53-D89 VanDerWaalsContact N-OD1 3.17Å
54	R	98.6	Very high	98.2	Very high	126 Å²	126	67.2 Å²	67.2	48%	0.475	35%	0.349	S	S	.	.	H	α-helix	trans	-70.3	-43.4	179.3	-178	57.1	178.8	168.7	2	111.1	G52 Q56 E57 L58 V88 D89	G52-R54 VanDerWaalsContact C-N 3.27Å; G52-R54 PolarHBondContact O-N 3.3Å; R54-Q56 VanDerWaalsContact C-N 3.31Å; R54-Q56 PolarHBondContact O-N 3.43Å; R54-E57 PolarHBondContact O-N 2.91Å; R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.3Å; R54-L58 PolarHBondContact O-N 3.09Å; R54-V88 HydrophobicContact CB-CG2 3.98Å; R54-V88 HydrophobicContact CG-CB 3.91Å; R54-V88 HydrophobicContact CG-CG2 3.66Å; R54-D89 VanDerWaalsContact CB-OD1 3.28Å; R54-D89 WeakPolarHBondContact CB-OD1 3.4Å; R54-D89 PolarHBondContact N-OD1 3.27Å
55	S	98.6	Very high	98.2	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-40.1	174.2	-67.1	0	0	0	0	112.4	G52 L58 T59 F74 V88 D89	G52-S55 PolarHBondContact O-N 3.43Å; G52-S55 VanDerWaalsContact O-N 3.14Å; S55-L58 PolarHBondContact O-N 2.97Å; S55-T59 WeakPolarHBondContact O-CB 3.44Å; S55-T59 PolarHBondContact O-N 2.83Å; S55-T59 PolarHBondContact O-OG1 3.37Å; S55-F74 PolarHBondContact OG-N 3.43Å; S55-V88 WeakPolarHBondContact OG-CG2 3.47Å; S55-D89 WeakPolarHBondContact CB-OD2 3.28Å; S55-D89 PolarHBondContact N-OD2 3.01Å; S55-D89 PolarHBondContact OG-OD2 3.36Å
56	Q	98.5	Very high	98.1	Very high	107 Å²	107	73.4 Å²	73.4	50%	0.5	38%	0.376	S	S	.	.	H	α-helix	trans	-65	-43.9	177.7	-69.5	174.3	26.2	0	0	112	P51 G52 P53 R54 T59 K60	P51-Q56 HydrophobicContact CB-CG 4.22Å; P51-Q56 HydrophobicContact CG-CG 4.09Å; P51-Q56 PolarHBondContact O-NE2 3.24Å; G52-Q56 WeakPolarHBondContact O-CG 3.41Å; G52-Q56 PolarHBondContact O-N 3.34Å; P53-Q56 PolarHBondContact O-N 2.96Å; R54-Q56 VanDerWaalsContact C-N 3.31Å; R54-Q56 PolarHBondContact O-N 3.43Å; Q56-T59 WeakPolarHBondContact O-CB 3.34Å; Q56-T59 PolarHBondContact O-N 3.12Å; Q56-K60 PolarHBondContact O-N 3.09Å
57	E	98.6	Very high	98.1	Very high	83 Å²	83	77.7 Å²	77.7	39%	0.388	40%	0.4	S	S	.	.	H	α-helix	trans	-60	-46.8	175.4	177	55.4	-151.5	0	0	111.6	P53 R54 T59 K60 Q61	P53-E57 PolarHBondContact O-N 2.86Å; R54-E57 PolarHBondContact O-N 2.91Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.19Å; E57-K60 WeakPolarHBondContact O-CB 3.16Å; E57-K60 PolarHBondContact O-N 3.44Å; E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 3.49Å; E57-Q61 PolarHBondContact OE1-NE2 3.45Å
58	L	98.6	Very high	98.1	Very high	30 Å²	30	72.5 Å²	72.5	16%	0.157	38%	0.38	C	S	.	.	H	α-helix	trans	-65	-33.9	176.7	-68.2	175.5	0	0	0	112.6	R54 S55 K60 Q61 L62 F74 V88	R54-L58 HydrophobicContact CG-CD1 4.41Å; R54-L58 WeakPolarHBondContact O-CG 3.3Å; R54-L58 PolarHBondContact O-N 3.09Å; S55-L58 PolarHBondContact O-N 2.97Å; L58-K60 VanDerWaalsContact C-N 3.35Å; L58-Q61 PolarHBondContact O-N 3.3Å; L58-L62 WeakPolarHBondContact O-CB 3.44Å; L58-L62 PolarHBondContact O-N 3.23Å; L58-F74 VanDerWaalsContact C-CE2 3.48Å; L58-F74 HydrophobicContact CB-CD1 3.88Å; L58-F74 HydrophobicContact CB-CD2 3.54Å; L58-F74 HydrophobicContact CB-CE1 3.87Å; L58-F74 HydrophobicContact CB-CE2 3.56Å; L58-F74 HydrophobicContact CB-CG 3.71Å; L58-F74 HydrophobicContact CB-CZ 3.71Å; L58-F74 HydrophobicContact CD1-CB 3.71Å; L58-F74 HydrophobicContact CD1-CD1 3.75Å; L58-F74 HydrophobicContact CD1-CD2 4.3Å; L58-F74 HydrophobicContact CD1-CE1 4.45Å; L58-F74 HydrophobicContact CD1-CG 3.65Å; L58-F74 HydrophobicContact CG-CD1 4.41Å; L58-F74 HydrophobicContact CG-CG 4.35Å; L58-F74 WeakPolarHBondContact O-CZ 3.25Å; L58-V88 HydrophobicContact CD1-CB 4.48Å; L58-V88 HydrophobicContact CD1-CG1 4.17Å; L58-V88 HydrophobicContact CD1-CG2 4.08Å
59	T	98.4	Very high	98	Very high	30 Å²	30	73.6 Å²	73.6	18%	0.184	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-41.3	175.3	-58.7	0	0	0	0	110.9	S55 Q56 E57 L62 G63 V68 F74	S55-T59 WeakPolarHBondContact O-CB 3.44Å; S55-T59 PolarHBondContact O-N 2.83Å; S55-T59 PolarHBondContact O-OG1 3.37Å; Q56-T59 WeakPolarHBondContact O-CB 3.34Å; Q56-T59 PolarHBondContact O-N 3.12Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.19Å; T59-L62 PolarHBondContact O-N 3.48Å; T59-G63 PolarHBondContact O-N 3.37Å; T59-V68 HydrophobicContact CG2-CB 4Å; T59-V68 HydrophobicContact CG2-CG2 3.78Å; T59-F74 WeakPolarHBondContact OG1-CE2 3.43Å
60	K	98.3	Very high	98	Very high	141 Å²	141	73.7 Å²	73.7	61%	0.613	41%	0.412	S	S	*	.	H	α-helix	trans	-62.6	-48.4	174.7	-176.2	-177.8	174.7	-171.8	0	111.3	Q56 E57 L58 L62 G63 D64	Q56-K60 PolarHBondContact O-N 3.09Å; E57-K60 WeakPolarHBondContact O-CB 3.16Å; E57-K60 PolarHBondContact O-N 3.44Å; L58-K60 VanDerWaalsContact C-N 3.35Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 2.89Å; K60-G63 WeakPolarHBondContact O-CA 3.42Å; K60-G63 PolarHBondContact O-N 3.26Å; K60-D64 PolarHBondContact O-N 2.98Å
61	Q	98.3	Very high	98	Very high	85 Å²	85	75.8 Å²	75.8	40%	0.397	42%	0.424	S	S	.	.	H	α-helix	trans	-59.1	-43.2	177.9	-68.4	175.2	16.5	0	0	112.4	E57 L58 G63 D64	E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 3.49Å; E57-Q61 PolarHBondContact OE1-NE2 3.45Å; L58-Q61 PolarHBondContact O-N 3.3Å; Q61-G63 VanDerWaalsContact C-N 3.3Å; Q61-D64 PolarHBondContact O-N 3.33Å
62	L	98.1	Very high	98	Very high	43 Å²	43	78.3 Å²	78.3	23%	0.225	44%	0.435	C	S	.	.	H	α-helix	trans	-70	-31.1	176.3	-174.2	62.3	0	0	0	111.9	L58 T59 K60 D64 I65 Q66 V68 V71 F74	L58-L62 WeakPolarHBondContact O-CB 3.44Å; L58-L62 PolarHBondContact O-N 3.23Å; T59-L62 PolarHBondContact O-N 3.48Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 2.89Å; L62-D64 PolarHBondContact O-N 3.12Å; L62-I65 PolarHBondContact O-N 3.29Å; L62-Q66 HydrophobicContact CD1-CG 3.8Å; L62-Q66 HydrophobicContact CD2-CG 4.5Å; L62-Q66 HydrophobicContact CG-CG 3.85Å; L62-Q66 PolarHBondContact O-N 3.04Å; L62-V68 HydrophobicContact CB-CG1 3.76Å; L62-V68 HydrophobicContact CD2-CG1 3.85Å; L62-V68 HydrophobicContact CG-CG1 3.6Å; L62-V71 HydrophobicContact CD2-CG2 4.35Å; L62-F74 HydrophobicContact CB-CZ 4.1Å; L62-F74 HydrophobicContact CD2-CE1 4.47Å; L62-F74 HydrophobicContact CD2-CZ 3.83Å
63	G	98.1	Very high	98	Very high	34 Å²	34	79.2 Å²	79.2	35%	0.351	44%	0.44	S	S	.	.	H	α-helix	trans	-62	-26.6	176.6	0	0	0	0	0	114	T59 K60 Q61 I65 Q66	T59-G63 PolarHBondContact O-N 3.37Å; K60-G63 WeakPolarHBondContact O-CA 3.42Å; K60-G63 PolarHBondContact O-N 3.26Å; Q61-G63 VanDerWaalsContact C-N 3.3Å; G63-I65 PolarHBondContact O-N 3.36Å; G63-Q66 WeakPolarHBondContact CA-O 3.43Å
64	D	97.9	Very high	98	Very high	137 Å²	137	77.5 Å²	77.5	73%	0.733	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-17.9	173.3	-64.1	-28.5	0	0	0	112.4	K60 Q61 L62	K60-D64 PolarHBondContact O-N 2.98Å; Q61-D64 PolarHBondContact O-N 3.33Å; L62-D64 PolarHBondContact O-N 3.12Å
65	I	97.7	Very high	98	Very high	139 Å²	139	73 Å²	73	71%	0.713	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	-35.8	-172.1	-53.3	172.6	0	0	0	111.7	L62 G63	L62-I65 PolarHBondContact O-N 3.29Å; G63-I65 PolarHBondContact O-N 3.36Å
66	Q	97.6	Very high	98	Very high	115 Å²	115	75 Å²	75	54%	0.537	42%	0.422	S	S	.	.	S	Bend	trans	-153.3	167.9	-177	66.7	-178.8	-95.5	0	0	112.4	L62 G63 V68	L62-Q66 HydrophobicContact CD1-CG 3.8Å; L62-Q66 HydrophobicContact CD2-CG 4.5Å; L62-Q66 HydrophobicContact CG-CG 3.85Å; L62-Q66 PolarHBondContact O-N 3.04Å; G63-Q66 WeakPolarHBondContact CA-O 3.43Å; Q66-V68 PolarHBondContact O-N 3.35Å
67	N	97.4	Very high	98	Very high	146 Å²	146	74.8 Å²	74.8	78%	0.781	42%	0.417	S	S	*	.			trans	-67	120.1	173.8	-172.8	-34	0	0	0	110.8	G69	N67-G69 PolarHBondContact OD1-N 3.33Å
68	V	97.4	Very high	98	Very high	31 Å²	31	77.8 Å²	77.8	19%	0.188	43%	0.431	C	S	.	.			trans	-104.8	9.3	-178.5	-67	0	0	0	0	114	T59 L62 Q66 A70 V71	T59-V68 HydrophobicContact CG2-CB 4Å; T59-V68 HydrophobicContact CG2-CG2 3.78Å; L62-V68 HydrophobicContact CB-CG1 3.76Å; L62-V68 HydrophobicContact CD2-CG1 3.85Å; L62-V68 HydrophobicContact CG-CG1 3.6Å; Q66-V68 PolarHBondContact O-N 3.35Å; V68-A70 PolarHBondContact O-N 3.49Å; V68-V71 HydrophobicContact CB-CB 4.41Å; V68-V71 HydrophobicContact CB-CG2 3.97Å; V68-V71 HydrophobicContact CG1-CG2 4.23Å; V68-V71 WeakPolarHBondContact O-CB 3.35Å; V68-V71 PolarHBondContact O-N 3.23Å
69	G	96.4	Very high	97.9	Very high	74 Å²	74	79.9 Å²	79.9	76%	0.763	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-16.8	-174.8	0	0	0	0	0	115	N67	N67-G69 PolarHBondContact OD1-N 3.33Å
70	A	96.6	Very high	97.9	Very high	94 Å²	94	78.4 Å²	78.4	78%	0.777	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-5.2	175.3	0	0	0	0	0	114.1	V68 N72	V68-A70 PolarHBondContact O-N 3.49Å; A70-N72 PolarHBondContact O-N 2.59Å
71	V	97.9	Very high	97.9	Very high	50 Å²	50	76.8 Å²	76.8	30%	0.303	42%	0.423	S	S	.	.			trans	-74.5	120.6	-179.2	177.9	0	0	0	0	109.2	L62 V68 F74	L62-V71 HydrophobicContact CD2-CG2 4.35Å; V68-V71 HydrophobicContact CB-CB 4.41Å; V68-V71 HydrophobicContact CB-CG2 3.97Å; V68-V71 HydrophobicContact CG1-CG2 4.23Å; V68-V71 WeakPolarHBondContact O-CB 3.35Å; V68-V71 PolarHBondContact O-N 3.23Å; V71-F74 HydrophobicContact CG1-CD2 4.26Å; V71-F74 HydrophobicContact CG1-CE2 3.88Å
72	N	97.6	Very high	97.9	Very high	91 Å²	91	72.8 Å²	72.8	49%	0.487	41%	0.405	S	S	.	.			trans	-81.1	-49.7	176.5	-73.1	-30	0	0	0	112.2	A70	A70-N72 PolarHBondContact O-N 2.59Å
73	F	98.4	Very high	97.9	Very high	20 Å²	20	70.8 Å²	70.8	9%	0.088	39%	0.394	C	S	.	.			trans	-171.4	168.4	179.3	51.5	-92.5	0	0	0	109	V50 P51 L85 D87 M93 L464	V50-F73 HydrophobicContact CG1-CB 3.9Å; V50-F73 HydrophobicContact CG1-CD1 3.3Å; V50-F73 HydrophobicContact CG1-CE1 3.93Å; V50-F73 HydrophobicContact CG1-CG 3.7Å; P51-F73 HydrophobicContact CB-CB 4.14Å; F73-L85 HydrophobicContact CE2-CD2 3.86Å; F73-L85 HydrophobicContact CE2-CG 4.5Å; F73-L85 HydrophobicContact CZ-CD2 3.99Å; F73-D87 HydrophobicContact CD2-CB 3.69Å; F73-D87 HydrophobicContact CE2-CB 4.13Å; F73-M93 HydrophobicContact CD2-CE 4.27Å; F73-M93 HydrophobicContact CE1-CE 4.19Å; F73-M93 HydrophobicContact CE1-SD 4.31Å; F73-M93 HydrophobicContact CE2-CE 3.58Å; F73-M93 HydrophobicContact CZ-CE 3.53Å; F73-M93 HydrophobicContact CZ-SD 4.05Å; F73-L464 HydrophobicContact CE1-CD1 3.96Å; F73-L464 HydrophobicContact CZ-CD1 4.15Å; F73-L464 HydrophobicContact CZ-CD2 4.14Å
74	F	98.6	Very high	98	Very high	51 Å²	51	69.1 Å²	69.1	22%	0.224	38%	0.378	C	S	.	.			trans	-95.6	142.2	177.1	-79.7	-106.3	0	0	0	110.7	S55 L58 T59 L62 V71 D87 V88	S55-F74 PolarHBondContact OG-N 3.43Å; L58-F74 VanDerWaalsContact C-CE2 3.48Å; L58-F74 HydrophobicContact CB-CD1 3.88Å; L58-F74 HydrophobicContact CB-CD2 3.54Å; L58-F74 HydrophobicContact CB-CE1 3.87Å; L58-F74 HydrophobicContact CB-CE2 3.56Å; L58-F74 HydrophobicContact CB-CG 3.71Å; L58-F74 HydrophobicContact CB-CZ 3.71Å; L58-F74 HydrophobicContact CD1-CB 3.71Å; L58-F74 HydrophobicContact CD1-CD1 3.75Å; L58-F74 HydrophobicContact CD1-CD2 4.3Å; L58-F74 HydrophobicContact CD1-CE1 4.45Å; L58-F74 HydrophobicContact CD1-CG 3.65Å; L58-F74 HydrophobicContact CG-CD1 4.41Å; L58-F74 HydrophobicContact CG-CG 4.35Å; L58-F74 WeakPolarHBondContact O-CZ 3.25Å; T59-F74 WeakPolarHBondContact OG1-CE2 3.43Å; L62-F74 HydrophobicContact CB-CZ 4.1Å; L62-F74 HydrophobicContact CD2-CE1 4.47Å; L62-F74 HydrophobicContact CD2-CZ 3.83Å; V71-F74 HydrophobicContact CG1-CD2 4.26Å; V71-F74 HydrophobicContact CG1-CE2 3.88Å; F74-D87 WeakPolarHBondContact O-CA 3.31Å; F74-D87 WeakPolarHBondContact O-CB 3.22Å; F74-V88 HydrophobicContact CB-CB 4.43Å; F74-V88 HydrophobicContact CB-CG1 3.8Å; F74-V88 HydrophobicContact CB-CG2 3.72Å; F74-V88 PolarHBondContact O-N 3.05Å
75	C	98.8	Very high	98	Very high	33 Å²	33	62.7 Å²	62.7	22%	0.223	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	145.1	-172.4	-57.8	0	0	0	0	112.1	Y77 L85	C75-Y77 HydrophobicContact CB-CD1 4.46Å; C75-Y77 HydrophobicContact CB-CD2 4.08Å; C75-Y77 HydrophobicContact CB-CE1 4.11Å; C75-Y77 HydrophobicContact CB-CE2 3.7Å; C75-Y77 HydrophobicContact CB-CG 4.45Å; C75-L85 HydrophobicContact CB-CD1 4.08Å
76	N	98.6	Very high	98.1	Very high	42 Å²	42	56.5 Å²	56.5	23%	0.225	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	94.2	162.4	175.6	-13.1	0	0	0	107.4	E78 D79 S80 V86	N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact OD1-N 3.21Å; N76-E78 PolarHBondContact OD1-OE2 3.08Å; N76-D79 PolarHBondContact ND2-OD2 3.31Å; N76-D79 PolarHBondContact OD1-N 3.07Å; N76-D79 VanDerWaalsContact OD1-N 3.08Å; N76-S80 PolarHBondContact O-N 3.1Å; N76-S80 PolarHBondContact O-OG 3.08Å; N76-V86 HydrophobicContact CB-CG1 4.27Å; N76-V86 PolarHBondContact N-O 3.45Å
77	Y	98.5	Very high	98.1	Very high	102 Å²	102	51 Å²	51	40%	0.4	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-28.1	-175.9	-74.5	-68.8	0	0	0	111.9	C75 D79 S80 L85 Y107 N108	C75-Y77 HydrophobicContact CB-CD1 4.46Å; C75-Y77 HydrophobicContact CB-CD2 4.08Å; C75-Y77 HydrophobicContact CB-CE1 4.11Å; C75-Y77 HydrophobicContact CB-CE2 3.7Å; C75-Y77 HydrophobicContact CB-CG 4.45Å; Y77-D79 VanDerWaalsContact C-N 3.29Å; Y77-D79 PolarHBondContact O-N 3.46Å; Y77-S80 WeakPolarHBondContact O-CB 3.32Å; Y77-S80 PolarHBondContact O-N 3.21Å; Y77-S80 VanDerWaalsContact O-N 3.17Å; Y77-L85 HydrophobicContact CD1-CD1 4.11Å; Y77-L85 HydrophobicContact CE1-CD1 3.76Å; Y77-Y107 HydrophobicContact CD1-CD1 4.2Å; Y77-Y107 HydrophobicContact CD1-CE1 4.23Å; Y77-Y107 HydrophobicContact CE1-CD1 4.41Å; Y77-Y107 AromaticContact CE1-CE1 3.98Å; Y77-Y107 HydrophobicContact CE1-CE1 3.98Å; Y77-N108 PolarHBondContact O-ND2 2.99Å
78	E	98	Very high	98.2	Very high	145 Å²	145	46.3 Å²	46.3	68%	0.678	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.6	-37.5	178.3	-66.2	73.7	-167.3	0	0	111.9	N76 N108	N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact OD1-N 3.21Å; N76-E78 PolarHBondContact OD1-OE2 3.08Å; E78-N108 PolarHBondContact O-ND2 2.87Å; E78-N108 VanDerWaalsContact O-ND2 3.13Å
79	D	98	Very high	98.2	Very high	74 Å²	74	46.1 Å²	46.1	40%	0.396	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-10	177	-73.6	-30.1	0	0	0	113.9	Y41 N76 Y77 V86	Y41-D79 WeakPolarHBondContact CE2-O 3.36Å; Y41-D79 PolarHBondContact OH-O 2.76Å; N76-D79 PolarHBondContact ND2-OD2 3.31Å; N76-D79 PolarHBondContact OD1-N 3.07Å; N76-D79 VanDerWaalsContact OD1-N 3.08Å; Y77-D79 VanDerWaalsContact C-N 3.29Å; Y77-D79 PolarHBondContact O-N 3.46Å; D79-V86 HydrophobicContact CB-CB 4.19Å; D79-V86 HydrophobicContact CB-CG1 4.12Å; D79-V86 HydrophobicContact CB-CG2 4.21Å; D79-V86 WeakPolarHBondContact O-CG2 3.39Å
80	S	98.6	Very high	98.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	137	177.1	-61.8	0	0	0	0	110.9	N76 Y77 Y84 V86 N108	N76-S80 PolarHBondContact O-N 3.1Å; N76-S80 PolarHBondContact O-OG 3.08Å; Y77-S80 WeakPolarHBondContact O-CB 3.32Å; Y77-S80 PolarHBondContact O-N 3.21Å; Y77-S80 VanDerWaalsContact O-N 3.17Å; S80-Y84 WeakPolarHBondContact CA-O 3.33Å; S80-V86 PolarHBondContact OG-N 3.35Å; S80-N108 WeakPolarHBondContact O-CB 3.42Å; S80-N108 PolarHBondContact O-ND2 2.86Å
81	R	98.1	Very high	98.4	Very high	106 Å²	106	39 Å²	39	40%	0.4	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	143.2	-177.5	-58.3	-179.4	-170.8	170.4	4.8	111.3	Y39 Y41 N83 Y84	Y39-R81 HydrophobicContact CE1-CB 4.4Å; Y39-R81 HydrophobicContact CE2-CB 4.15Å; Y39-R81 HydrophobicContact CE2-CG 4.2Å; Y39-R81 VanDerWaalsContact OH-CA 3.26Å; Y39-R81 WeakPolarHBondContact OH-CA 3.38Å; Y39-R81 WeakPolarHBondContact OH-CB 3.37Å; Y41-R81 HydrophobicContact CD2-CB 4.05Å; Y41-R81 HydrophobicContact CE2-CB 3.66Å; Y41-R81 HydrophobicContact CE2-CG 3.91Å; R81-N83 PolarHBondContact O-N 3.03Å; R81-N83 VanDerWaalsContact O-N 3.15Å; R81-Y84 PolarHBondContact N-O 3.13Å; R81-Y84 VanDerWaalsContact N-O 3.07Å; R81-Y84 PolarHBondContact O-N 2.88Å
82	G	97.8	Very high	98.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.01	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	52.2	-118	176.8	0	0	0	0	0	111.6	Y39 D40 G106 Y107	Y39-G82 PolarHBondContact OH-N 2.96Å; D40-G82 WeakPolarHBondContact OD1-CA 3.42Å; G82-G106 CarbonylContact O-C 3.5Å; G82-G106 WeakPolarHBondContact O-CA 3.43Å; G82-Y107 PolarHBondContact N-O 3.48Å; G82-Y107 PolarHBondContact O-N 2.93Å
83	N	98.4	Very high	98.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	7.2	-179.5	-63.6	-80.7	0	0	0	113.8	D40 R81 L94 D95 V480 F481 H485	D40-N83 PolarHBondContact OD1-N 3.47Å; D40-N83 VanDerWaalsContact OD1-N 3.12Å; D40-N83 PolarHBondContact OD2-N 3.39Å; D40-N83 VanDerWaalsContact OD2-N 3.15Å; D40-N83 PolarHBondContact OD2-ND2 3.45Å; R81-N83 PolarHBondContact O-N 3.03Å; R81-N83 VanDerWaalsContact O-N 3.15Å; N83-L94 HydrophobicContact CB-CD1 3.87Å; N83-D95 PolarHBondContact O-N 3.11Å; N83-V480 PolarHBondContact ND2-O 3.4Å; N83-V480 VanDerWaalsContact ND2-O 3.17Å; N83-F481 WeakPolarHBondContact OD1-CB 3.5Å; N83-H485 PolarHBondContact ND2-CE1 3.46Å; N83-H485 PolarHBondContact ND2-NE2 3.49Å
84	Y	98.8	Very high	98.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.7	-177.6	-56.1	-97.7	0	0	0	113.3	D40 Y41 G43 S80 R81 R92 M93 L94	D40-Y84 WeakPolarHBondContact OD1-CD2 3.26Å; D40-Y84 VanDerWaalsContact OD1-CE2 3.31Å; D40-Y84 WeakPolarHBondContact OD1-CE2 3.43Å; Y41-Y84 HydrophobicContact CD2-CD2 4.06Å; Y41-Y84 HydrophobicContact CD2-CG 4.15Å; Y41-Y84 HydrophobicContact CG-CD2 4.4Å; Y41-Y84 WeakPolarHBondContact O-CE2 3.32Å; Y41-Y84 PolarHBondContact O-OH 3.44Å; G43-Y84 VanDerWaalsContact CA-OH 3.31Å; G43-Y84 WeakPolarHBondContact CA-OH 3.45Å; G43-Y84 PolarHBondContact N-OH 2.88Å; S80-Y84 WeakPolarHBondContact CA-O 3.33Å; R81-Y84 PolarHBondContact N-O 3.13Å; R81-Y84 VanDerWaalsContact N-O 3.07Å; R81-Y84 PolarHBondContact O-N 2.88Å; Y84-R92 HydrophobicContact CD1-CG 4.04Å; Y84-R92 HydrophobicContact CG-CG 4.15Å; Y84-M93 CarbonylContact C-O 3.31Å; Y84-M93 WeakPolarHBondContact CA-O 3.33Å; Y84-L94 HydrophobicContact CD1-CB 4.18Å; Y84-L94 HydrophobicContact CE1-CB 3.91Å; Y84-L94 HydrophobicContact CE1-CD1 4.05Å
85	L	98.8	Very high	98.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.9	172.7	-176.3	64.8	0	0	0	109.2	F73 C75 Y77 M93 D95 Y107 L464	F73-L85 HydrophobicContact CE2-CD2 3.86Å; F73-L85 HydrophobicContact CE2-CG 4.5Å; F73-L85 HydrophobicContact CZ-CD2 3.99Å; C75-L85 HydrophobicContact CB-CD1 4.08Å; Y77-L85 HydrophobicContact CD1-CD1 4.11Å; Y77-L85 HydrophobicContact CE1-CD1 3.76Å; L85-M93 PolarHBondContact N-O 3.18Å; L85-M93 PolarHBondContact O-N 3.09Å; L85-D95 HydrophobicContact CB-CB 4.12Å; L85-Y107 HydrophobicContact CB-CE2 4.07Å; L85-Y107 HydrophobicContact CD1-CE1 4.14Å; L85-Y107 HydrophobicContact CD1-CE2 4.27Å; L85-L464 HydrophobicContact CD2-CD2 3.9Å
86	V	98.8	Very high	98.5	Very high	10 Å²	10	29.9 Å²	29.9	6%	0.061	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.7	175.7	-178.7	0	0	0	0	108.9	N76 D79 S80 N91 R92	N76-V86 HydrophobicContact CB-CG1 4.27Å; N76-V86 PolarHBondContact N-O 3.45Å; D79-V86 HydrophobicContact CB-CB 4.19Å; D79-V86 HydrophobicContact CB-CG1 4.12Å; D79-V86 HydrophobicContact CB-CG2 4.21Å; D79-V86 WeakPolarHBondContact O-CG2 3.39Å; S80-V86 PolarHBondContact OG-N 3.35Å; V86-N91 CarbonylContact C-O 3.47Å; V86-N91 VanDerWaalsContact CA-O 3.25Å; V86-N91 WeakPolarHBondContact CA-O 3.44Å; V86-R92 HydrophobicContact CG2-CB 4.24Å; V86-R92 HydrophobicContact CG2-CG 4.13Å
87	D	98.8	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	169.7	173.1	79.7	4.2	0	0	0	112.2	F73 F74 D89 G90 N91 M93	F73-D87 HydrophobicContact CD2-CB 3.69Å; F73-D87 HydrophobicContact CE2-CB 4.13Å; F74-D87 WeakPolarHBondContact O-CA 3.31Å; F74-D87 WeakPolarHBondContact O-CB 3.22Å; D87-D89 PolarHBondContact O-N 3.4Å; D87-D89 VanDerWaalsContact OD1-C 3.3Å; D87-D89 WeakPolarHBondContact OD1-CA 3.4Å; D87-D89 WeakPolarHBondContact OD1-CB 3.47Å; D87-D89 PolarHBondContact OD1-N 2.93Å; D87-G90 PolarHBondContact O-N 3.12Å; D87-G90 PolarHBondContact OD1-N 3.4Å; D87-N91 PolarHBondContact N-O 3.22Å; D87-N91 WeakPolarHBondContact OD1-CB 3.36Å; D87-N91 PolarHBondContact OD1-N 3.34Å; D87-N91 PolarHBondContact OD1-ND2 3.17Å; D87-N91 WeakPolarHBondContact OD2-CB 3.39Å; D87-N91 PolarHBondContact OD2-ND2 3.09Å; D87-M93 HydrophobicContact CB-CE 4.06Å
88	V	98.8	Very high	98.5	Very high	47 Å²	47	25.1 Å²	25.1	29%	0.285	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.7	179	-65.4	0	0	0	0	113.9	R54 S55 L58 F74 G90	R54-V88 HydrophobicContact CB-CG2 3.98Å; R54-V88 HydrophobicContact CG-CB 3.91Å; R54-V88 HydrophobicContact CG-CG2 3.66Å; S55-V88 WeakPolarHBondContact OG-CG2 3.47Å; L58-V88 HydrophobicContact CD1-CB 4.48Å; L58-V88 HydrophobicContact CD1-CG1 4.17Å; L58-V88 HydrophobicContact CD1-CG2 4.08Å; F74-V88 HydrophobicContact CB-CB 4.43Å; F74-V88 HydrophobicContact CB-CG1 3.8Å; F74-V88 HydrophobicContact CB-CG2 3.72Å; F74-V88 PolarHBondContact O-N 3.05Å; V88-G90 VanDerWaalsContact C-N 3.34Å
89	D	98.7	Very high	98.5	Very high	26 Å²	26	21.1 Å²	21.1	14%	0.139	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	0.2	174.7	-64.5	-86.3	0	0	0	111.4	G52 P53 R54 S55 D87	G52-D89 VanDerWaalsContact CA-CG 3.41Å; G52-D89 WeakPolarHBondContact CA-OD1 3.38Å; G52-D89 WeakPolarHBondContact CA-OD2 3.49Å; G52-D89 PolarHBondContact N-OD2 3.21Å; P53-D89 WeakPolarHBondContact CD-OD1 3.5Å; P53-D89 VanDerWaalsContact N-OD1 3.17Å; R54-D89 VanDerWaalsContact CB-OD1 3.28Å; R54-D89 WeakPolarHBondContact CB-OD1 3.4Å; R54-D89 PolarHBondContact N-OD1 3.27Å; S55-D89 WeakPolarHBondContact CB-OD2 3.28Å; S55-D89 PolarHBondContact N-OD2 3.01Å; S55-D89 PolarHBondContact OG-OD2 3.36Å; D87-D89 PolarHBondContact O-N 3.4Å; D87-D89 VanDerWaalsContact OD1-C 3.3Å; D87-D89 WeakPolarHBondContact OD1-CA 3.4Å; D87-D89 WeakPolarHBondContact OD1-CB 3.47Å; D87-D89 PolarHBondContact OD1-N 2.93Å
90	G	98.4	Very high	98.5	Very high	20 Å²	20	21.1 Å²	21.1	21%	0.206	10%	0.102	C	C	.	.			trans	79.5	14.5	177.4	0	0	0	0	0	114.2	K47 D87 V88	K47-G90 WeakPolarHBondContact CD-O 3.49Å; K47-G90 VanDerWaalsContact CE-O 3.27Å; K47-G90 WeakPolarHBondContact CE-O 3.36Å; D87-G90 PolarHBondContact O-N 3.12Å; D87-G90 PolarHBondContact OD1-N 3.4Å; V88-G90 VanDerWaalsContact C-N 3.34Å
91	N	98.8	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.			trans	-71.6	137.3	168	-60.2	-54.6	0	0	0	109.3	M46 K47 T48 V50 V86 D87 M93	M46-N91 HydrophobicContact CE-CB 3.75Å; M46-N91 HydrophobicContact SD-CB 3.97Å; K47-N91 PolarHBondContact N-OD1 2.77Å; T48-N91 PolarHBondContact N-OD1 3.24Å; T48-N91 PolarHBondContact O-OD1 2.99Å; T48-N91 PolarHBondContact OG1-ND2 3.46Å; V50-N91 HydrophobicContact CG2-CB 4.44Å; V86-N91 CarbonylContact C-O 3.47Å; V86-N91 VanDerWaalsContact CA-O 3.25Å; V86-N91 WeakPolarHBondContact CA-O 3.44Å; D87-N91 PolarHBondContact N-O 3.22Å; D87-N91 WeakPolarHBondContact OD1-CB 3.36Å; D87-N91 PolarHBondContact OD1-N 3.34Å; D87-N91 PolarHBondContact OD1-ND2 3.17Å; D87-N91 WeakPolarHBondContact OD2-CB 3.39Å; D87-N91 PolarHBondContact OD2-ND2 3.09Å; N91-M93 HydrophobicContact CB-CE 4.47Å
92	R	98.8	Very high	98.5	Very high	52 Å²	52	17.6 Å²	17.6	20%	0.196	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	116.3	174.6	-178.2	174.7	65.8	-137.7	2.4	109.4	Y41 G43 P44 L45 Y84 V86	Y41-R92 VanDerWaalsContact CD1-NH1 3.32Å; Y41-R92 VanDerWaalsContact CD2-CD 3.42Å; Y41-R92 HydrophobicContact CD2-CG 4.44Å; Y41-R92 VanDerWaalsContact CG-CD 3.42Å; G43-R92 VanDerWaalsContact O-CZ 3.31Å; G43-R92 PolarHBondContact O-NE 2.8Å; G43-R92 PolarHBondContact O-NH2 3.39Å; P44-R92 CarbonylContact C-O 3.57Å; P44-R92 WeakPolarHBondContact CA-O 3.33Å; P44-R92 VanDerWaalsContact CB-O 3.31Å; P44-R92 WeakPolarHBondContact CB-O 3.5Å; L45-R92 HydrophobicContact CB-CB 4.2Å; L45-R92 PolarHBondContact N-O 2.83Å; L45-R92 PolarHBondContact O-N 3.47Å; Y84-R92 HydrophobicContact CD1-CG 4.04Å; Y84-R92 HydrophobicContact CG-CG 4.15Å; V86-R92 HydrophobicContact CG2-CB 4.24Å; V86-R92 HydrophobicContact CG2-CG 4.13Å
93	M	98.8	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.1	-176.1	-67.8	164.5	-82.1	0	0	110.9	M46 V50 F73 Y84 L85 D87 N91 D95 R459 G462	M46-M93 HydrophobicContact CE-CG 4.15Å; M46-M93 HydrophobicContact SD-CG 3.93Å; V50-M93 HydrophobicContact CG2-SD 4.22Å; F73-M93 HydrophobicContact CD2-CE 4.27Å; F73-M93 HydrophobicContact CE1-CE 4.19Å; F73-M93 HydrophobicContact CE1-SD 4.31Å; F73-M93 HydrophobicContact CE2-CE 3.58Å; F73-M93 HydrophobicContact CZ-CE 3.53Å; F73-M93 HydrophobicContact CZ-SD 4.05Å; Y84-M93 CarbonylContact C-O 3.31Å; Y84-M93 WeakPolarHBondContact CA-O 3.33Å; L85-M93 PolarHBondContact N-O 3.18Å; L85-M93 PolarHBondContact O-N 3.09Å; D87-M93 HydrophobicContact CB-CE 4.06Å; N91-M93 HydrophobicContact CB-CE 4.47Å; M93-D95 PolarHBondContact O-N 3.44Å; M93-R459 HydrophobicContact SD-CG 3.87Å; M93-G462 CarbonylContact C-O 3.5Å; M93-G462 VanDerWaalsContact CA-O 3.28Å; M93-G462 WeakPolarHBondContact CA-O 3.26Å
94	L	98.8	Very high	98.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	116	165.3	177.7	63.8	0	0	0	108.2	N83 Y84 I96 G462 M463 L464 F481 H485 I488 F489	N83-L94 HydrophobicContact CB-CD1 3.87Å; Y84-L94 HydrophobicContact CD1-CB 4.18Å; Y84-L94 HydrophobicContact CE1-CB 3.91Å; Y84-L94 HydrophobicContact CE1-CD1 4.05Å; L94-I96 HydrophobicContact CD2-CD1 4Å; L94-I96 HydrophobicContact CD2-CG1 4.33Å; L94-I96 HydrophobicContact CG-CD1 4.25Å; L94-I96 HydrophobicContact CG-CG1 4.02Å; L94-G462 PolarHBondContact N-O 3.22Å; L94-M463 WeakPolarHBondContact O-CA 3.47Å; L94-L464 PolarHBondContact O-N 3.08Å; L94-F481 HydrophobicContact CD1-CE2 4.33Å; L94-F481 HydrophobicContact CD2-CE2 4.45Å; L94-H485 HydrophobicContact CD1-CB 4.32Å; L94-H485 HydrophobicContact CD2-CB 4.5Å; L94-I488 HydrophobicContact CD2-CB 4.3Å; L94-I488 HydrophobicContact CD2-CG2 3.95Å; L94-F489 HydrophobicContact CD2-CB 4.4Å
95	D	98.8	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	107.5	-175.8	-176.1	6.1	0	0	0	111.7	N83 L85 M93 Y97 T98 Y107	N83-D95 PolarHBondContact O-N 3.11Å; L85-D95 HydrophobicContact CB-CB 4.12Å; M93-D95 PolarHBondContact O-N 3.44Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.15Å; D95-Y97 PolarHBondContact OD1-N 2.93Å; D95-T98 PolarHBondContact OD1-N 2.7Å; D95-T98 WeakPolarHBondContact OD2-CA 3.46Å; D95-T98 PolarHBondContact OD2-N 2.72Å; D95-Y107 HydrophobicContact CB-CE2 4.21Å; D95-Y107 WeakPolarHBondContact OD2-CE2 3.03Å; D95-Y107 PolarHBondContact OD2-OH 3.28Å
96	I	98.1	Very high	98.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-110	23.2	177.3	-36.5	-178.5	0	0	0	109.7	L94 M463 L464 L465 F475 R476 P477 F481 F489	L94-I96 HydrophobicContact CD2-CD1 4Å; L94-I96 HydrophobicContact CD2-CG1 4.33Å; L94-I96 HydrophobicContact CG-CD1 4.25Å; L94-I96 HydrophobicContact CG-CG1 4.02Å; I96-M463 HydrophobicContact CD1-CG 4.29Å; I96-M463 HydrophobicContact CD1-SD 4.41Å; I96-L464 PolarHBondContact N-O 3.46Å; I96-L465 HydrophobicContact CB-CD2 3.99Å; I96-L465 HydrophobicContact CD1-CD2 4.07Å; I96-L465 HydrophobicContact CG1-CD2 4.32Å; I96-F475 HydrophobicContact CG2-CB 3.99Å; I96-F475 HydrophobicContact CG2-CD1 4.06Å; I96-R476 CarbonylContact C-O 3.54Å; I96-R476 CarbonylContact O-C 3.44Å; I96-R476 PolarHBondContact O-N 2.95Å; I96-P477 HydrophobicContact CG2-CB 3.97Å; I96-P477 HydrophobicContact CG2-CG 4.2Å; I96-F481 HydrophobicContact CD1-CE2 4.17Å; I96-F481 HydrophobicContact CD1-CZ 4.25Å; I96-F481 HydrophobicContact CG1-CE2 4.17Å; I96-F489 HydrophobicContact CD1-CB 3.74Å; I96-F489 HydrophobicContact CD1-CD2 3.63Å; I96-F489 HydrophobicContact CD1-CG 3.88Å
97	Y	98.6	Very high	98.5	Very high	42 Å²	42	20 Å²	20	17%	0.165	11%	0.107	C	C	.	.	S	Bend	trans	-121.1	-29.6	174.9	-171.7	-129.6	0	0	0	112.8	D95 Q99 I100 S101 R476	D95-Y97 WeakPolarHBondContact OD1-CA 3.15Å; D95-Y97 PolarHBondContact OD1-N 2.93Å; Y97-Q99 PolarHBondContact O-N 3.17Å; Y97-I100 HydrophobicContact CE1-CB 4.46Å; Y97-I100 HydrophobicContact CE1-CG1 3.75Å; Y97-I100 PolarHBondContact O-N 3.49Å; Y97-S101 PolarHBondContact O-N 2.72Å; Y97-R476 CarbonylContact C-O 3.6Å
98	T	97.1	Very high	98.4	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	48.4	55.7	170.5	63.7	0	0	0	0	114.9	D95 I100 S101 S102 I103 R476 A478	D95-T98 PolarHBondContact OD1-N 2.7Å; D95-T98 WeakPolarHBondContact OD2-CA 3.46Å; D95-T98 PolarHBondContact OD2-N 2.72Å; T98-I100 VanDerWaalsContact C-N 3.31Å; T98-I100 PolarHBondContact O-N 3.27Å; T98-S101 PolarHBondContact O-N 2.65Å; T98-S102 PolarHBondContact O-N 2.8Å; T98-I103 PolarHBondContact O-N 2.63Å; T98-R476 WeakPolarHBondContact CB-O 3.37Å; T98-R476 WeakPolarHBondContact CG2-O 3.25Å; T98-R476 PolarHBondContact OG1-O 3.32Å; T98-A478 HydrophobicContact CG2-CB 4.12Å
99	Q	98.1	Very high	98.4	Very high	61 Å²	61	21.1 Å²	21.1	29%	0.285	11%	0.11	S	C	.	.	H	α-helix	trans	52.6	50	-179.7	-50.9	-57.7	-34.1	0	0	111.5	Y97 S102 I103 Y107	Y97-Q99 PolarHBondContact O-N 3.17Å; Q99-S102 WeakPolarHBondContact CB-OG 3.39Å; Q99-S102 WeakPolarHBondContact O-CB 3.29Å; Q99-S102 PolarHBondContact O-OG 3.03Å; Q99-I103 HydrophobicContact CB-CD1 4.47Å; Q99-I103 HydrophobicContact CB-CG1 4.08Å; Q99-I103 HydrophobicContact CG-CD1 4.13Å; Q99-I103 HydrophobicContact CG-CG1 3.77Å; Q99-Y107 HydrophobicContact CG-CE1 4.19Å; Q99-Y107 WeakPolarHBondContact CG-OH 3.45Å; Q99-Y107 PolarHBondContact NE2-OH 2.87Å
100	I	98.3	Very high	98.3	Very high	74 Å²	74	22.9 Å²	22.9	38%	0.379	12%	0.123	S	C	.	.	H	α-helix	trans	63.2	52.6	-177.4	-35.7	-175.7	0	0	0	111.4	Y97 T98 S102 K358	Y97-I100 HydrophobicContact CE1-CB 4.46Å; Y97-I100 HydrophobicContact CE1-CG1 3.75Å; Y97-I100 PolarHBondContact O-N 3.49Å; T98-I100 VanDerWaalsContact C-N 3.31Å; T98-I100 PolarHBondContact O-N 3.27Å; I100-S102 VanDerWaalsContact C-N 3.26Å; I100-S102 PolarHBondContact O-N 3.23Å; I100-K358 WeakPolarHBondContact O-CD 3.26Å; I100-K358 VanDerWaalsContact O-CE 3.27Å; I100-K358 WeakPolarHBondContact O-CE 3.28Å
101	S	98.5	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	60.3	28.2	179	-160.3	0	0	0	0	113.9	Y97 T98 K359	Y97-S101 PolarHBondContact O-N 2.72Å; T98-S101 PolarHBondContact O-N 2.65Å; S101-K359 WeakPolarHBondContact O-CG 3.37Å; S101-K359 PolarHBondContact O-NZ 3.03Å; S101-K359 PolarHBondContact OG-NZ 3.11Å
102	S	98.8	Very high	98.1	Very high	32 Å²	32	24 Å²	24	22%	0.224	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-16.7	-173.9	69.1	0	0	0	0	115.5	T98 Q99 I100 P104	T98-S102 PolarHBondContact O-N 2.8Å; Q99-S102 WeakPolarHBondContact CB-OG 3.39Å; Q99-S102 WeakPolarHBondContact O-CB 3.29Å; Q99-S102 PolarHBondContact O-OG 3.03Å; I100-S102 VanDerWaalsContact C-N 3.26Å; I100-S102 PolarHBondContact O-N 3.23Å; S102-P104 VanDerWaalsContact O-CD 3.32Å; S102-P104 WeakPolarHBondContact O-CD 3.38Å
103	I	98.7	Very high	98	Very high	39 Å²	39	25.7 Å²	25.7	20%	0.2	14%	0.139	C	C	.	.			trans	-86.2	114.9	174.4	-53.3	-60.2	0	0	0	109.5	T98 Q99 G106 Y107	T98-I103 PolarHBondContact O-N 2.63Å; Q99-I103 HydrophobicContact CB-CD1 4.47Å; Q99-I103 HydrophobicContact CB-CG1 4.08Å; Q99-I103 HydrophobicContact CG-CD1 4.13Å; Q99-I103 HydrophobicContact CG-CG1 3.77Å; I103-G106 VanDerWaalsContact CG2-C 3.46Å; I103-G106 WeakPolarHBondContact CG2-O 3.41Å; I103-Y107 HydrophobicContact CD1-CE1 4.29Å; I103-Y107 HydrophobicContact CG1-CE1 3.88Å
104	P	98.4	Very high	97.9	Very high	6 Å²	6	33.1 Å²	33.1	4%	0.039	17%	0.171	C	C	.	.	S	Bend	trans	-77	-50.7	-174.1	27.4	-32.1	0	0	0	113	S102 K359 L361 V396 L479	S102-P104 VanDerWaalsContact O-CD 3.32Å; S102-P104 WeakPolarHBondContact O-CD 3.38Å; P104-K359 HydrophobicContact CB-CB 4.19Å; P104-K359 HydrophobicContact CB-CG 4.42Å; P104-L361 HydrophobicContact CG-CD2 4.12Å; P104-V396 HydrophobicContact CB-CG1 3.75Å; P104-V396 HydrophobicContact CG-CG1 3.8Å; P104-V396 HydrophobicContact CG-CG2 3.85Å; P104-L479 WeakPolarHBondContact O-CB 3.37Å; P104-L479 VanDerWaalsContact O-CG 3.28Å; P104-L479 WeakPolarHBondContact O-CG 3.46Å; P104-L479 PolarHBondContact O-N 3.08Å
105	I	98.4	Very high	97.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.178	C	C	.	.	S	Bend	trans	-120.7	26.7	-168.8	59.2	173.2	0	0	0	113.3	H109 L112 V396 V399 I400 L405 V480	I105-H109 HydrophobicContact CD1-CB 3.93Å; I105-H109 HydrophobicContact CG1-CB 4.01Å; I105-H109 PolarHBondContact O-CD2 3.34Å; I105-H109 VanDerWaalsContact O-CD2 3.3Å; I105-L112 HydrophobicContact CD1-CD1 4.05Å; I105-L112 HydrophobicContact CD1-CD2 4.24Å; I105-L112 HydrophobicContact CD1-CG 4.06Å; I105-L112 HydrophobicContact CG1-CD1 4.22Å; I105-V396 HydrophobicContact CD1-CG2 3.96Å; I105-V396 HydrophobicContact CG1-CG2 4.24Å; I105-V396 HydrophobicContact CG2-CG1 4.23Å; I105-V399 HydrophobicContact CB-CG1 4.45Å; I105-V399 HydrophobicContact CD1-CB 4.13Å; I105-V399 HydrophobicContact CD1-CG1 4.1Å; I105-V399 HydrophobicContact CD1-CG2 3.97Å; I105-V399 HydrophobicContact CG2-CG1 4.05Å; I105-I400 HydrophobicContact CG2-CG1 4.39Å; I105-L405 HydrophobicContact CG2-CD1 3.91Å; I105-V480 HydrophobicContact CB-CG1 4.2Å; I105-V480 WeakPolarHBondContact O-CG2 3.33Å
106	G	98.1	Very high	97.6	Very high	5 Å²	5	38.7 Å²	38.7	5%	0.052	20%	0.199	C	C	.	.			trans	84.9	166.1	-179.3	0	0	0	0	0	113.9	G82 I103	G82-G106 CarbonylContact O-C 3.5Å; G82-G106 WeakPolarHBondContact O-CA 3.43Å; I103-G106 VanDerWaalsContact CG2-C 3.46Å; I103-G106 WeakPolarHBondContact CG2-O 3.41Å
107	Y	98.6	Very high	97.4	Very high	14 Å²	14	43.9 Å²	43.9	6%	0.055	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-64.7	151.6	177.5	-61.8	-71.7	0	0	0	110.7	Y39 Y77 G82 L85 D95 Q99 I103 H109	Y39-Y107 VanDerWaalsContact CE1-O 3.22Å; Y39-Y107 WeakPolarHBondContact CE1-O 3.47Å; Y39-Y107 VanDerWaalsContact OH-C 3.26Å; Y39-Y107 PolarHBondContact OH-O 3.07Å; Y77-Y107 HydrophobicContact CD1-CD1 4.2Å; Y77-Y107 HydrophobicContact CD1-CE1 4.23Å; Y77-Y107 HydrophobicContact CE1-CD1 4.41Å; Y77-Y107 AromaticContact CE1-CE1 3.98Å; Y77-Y107 HydrophobicContact CE1-CE1 3.98Å; G82-Y107 PolarHBondContact N-O 3.48Å; G82-Y107 PolarHBondContact O-N 2.93Å; L85-Y107 HydrophobicContact CB-CE2 4.07Å; L85-Y107 HydrophobicContact CD1-CE1 4.14Å; L85-Y107 HydrophobicContact CD1-CE2 4.27Å; D95-Y107 HydrophobicContact CB-CE2 4.21Å; D95-Y107 WeakPolarHBondContact OD2-CE2 3.03Å; D95-Y107 PolarHBondContact OD2-OH 3.28Å; Q99-Y107 HydrophobicContact CG-CE1 4.19Å; Q99-Y107 WeakPolarHBondContact CG-OH 3.45Å; Q99-Y107 PolarHBondContact NE2-OH 2.87Å; I103-Y107 HydrophobicContact CD1-CE1 4.29Å; I103-Y107 HydrophobicContact CG1-CE1 3.88Å; Y107-H109 PolarHBondContact O-N 2.92Å
108	N	97.4	Very high	97.3	Very high	54 Å²	54	44.8 Å²	44.8	29%	0.289	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.1	29.3	172.5	-70.2	-26.4	0	0	0	117.6	Y39 Y77 E78 S80 L113	Y39-N108 WeakPolarHBondContact CE2-O 3.21Å; Y39-N108 VanDerWaalsContact CZ-C 3.43Å; Y39-N108 WeakPolarHBondContact OH-CA 3.33Å; Y39-N108 WeakPolarHBondContact OH-CB 3.15Å; Y39-N108 PolarHBondContact OH-O 3.4Å; Y77-N108 PolarHBondContact O-ND2 2.99Å; E78-N108 PolarHBondContact O-ND2 2.87Å; E78-N108 VanDerWaalsContact O-ND2 3.13Å; S80-N108 WeakPolarHBondContact O-CB 3.42Å; S80-N108 PolarHBondContact O-ND2 2.86Å; N108-L113 HydrophobicContact CB-CD1 4.32Å; N108-L113 VanDerWaalsContact O-CD1 3.26Å; N108-L113 WeakPolarHBondContact O-CD1 3.22Å
109	H	97.7	Very high	97.2	Very high	16 Å²	16	49.2 Å²	49.2	7%	0.074	27%	0.267	C	S	.	.			trans	-52	129	-174.3	-170.8	-81.8	0	0	0	111.9	I105 Y107 A111 L112 L113	I105-H109 HydrophobicContact CD1-CB 3.93Å; I105-H109 HydrophobicContact CG1-CB 4.01Å; I105-H109 PolarHBondContact O-CD2 3.34Å; I105-H109 VanDerWaalsContact O-CD2 3.3Å; Y107-H109 PolarHBondContact O-N 2.92Å; H109-A111 VanDerWaalsContact ND1-CB 3.34Å; H109-A111 WeakPolarHBondContact ND1-CB 3.04Å; H109-A111 PolarHBondContact ND1-N 3.16Å; H109-A111 PolarHBondContact O-N 3.38Å; H109-A111 VanDerWaalsContact O-N 3.08Å; H109-L112 HydrophobicContact CB-CD1 4.28Å; H109-L112 HydrophobicContact CB-CG 4.21Å; H109-L112 PolarHBondContact O-N 3.42Å; H109-L113 PolarHBondContact O-N 3.43Å; H109-L113 VanDerWaalsContact O-N 3.13Å
110	P	96.6	Very high	97	Very high	63 Å²	63	53 Å²	53	41%	0.409	29%	0.289	S	S	.	.	H	α-helix	trans	-57	-34.1	-170.7	-28.7	35.9	0	0	0	114	Y39 L112 L113 K114	Y39-P110 HydrophobicContact CD1-CG 4.38Å; Y39-P110 VanDerWaalsContact CD2-CD 3.44Å; Y39-P110 HydrophobicContact CD2-CG 3.33Å; Y39-P110 HydrophobicContact CE2-CG 3.88Å; Y39-P110 VanDerWaalsContact CG-CD 3.49Å; Y39-P110 HydrophobicContact CG-CG 3.66Å; P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.24Å; P110-L113 PolarHBondContact O-N 2.79Å; P110-K114 WeakPolarHBondContact O-CB 3.46Å; P110-K114 PolarHBondContact O-N 2.99Å
111	A	96.6	Very high	97	Very high	14 Å²	14	50.4 Å²	50.4	12%	0.116	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-37.7	176.1	0	0	0	0	0	112.9	H109 L115 E395 V399	H109-A111 VanDerWaalsContact ND1-CB 3.34Å; H109-A111 WeakPolarHBondContact ND1-CB 3.04Å; H109-A111 PolarHBondContact ND1-N 3.16Å; H109-A111 PolarHBondContact O-N 3.38Å; H109-A111 VanDerWaalsContact O-N 3.08Å; A111-L115 PolarHBondContact O-N 3.36Å; A111-E395 HydrophobicContact CB-CG 3.76Å; A111-E395 WeakPolarHBondContact CB-OE1 3.43Å; A111-V399 HydrophobicContact CB-CG2 3.89Å
112	L	97.4	Very high	96.8	Very high	30 Å²	30	55.2 Å²	55.2	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-75.8	-38.4	177.7	-54.8	-177.2	0	0	0	111.2	I105 H109 P110 K114 L115 M116 F392 E395 V396	I105-L112 HydrophobicContact CD1-CD1 4.05Å; I105-L112 HydrophobicContact CD1-CD2 4.24Å; I105-L112 HydrophobicContact CD1-CG 4.06Å; I105-L112 HydrophobicContact CG1-CD1 4.22Å; H109-L112 HydrophobicContact CB-CD1 4.28Å; H109-L112 HydrophobicContact CB-CG 4.21Å; H109-L112 PolarHBondContact O-N 3.42Å; P110-L112 VanDerWaalsContact C-N 3.33Å; P110-L112 PolarHBondContact O-N 3.24Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 2.96Å; L112-L115 HydrophobicContact CD2-CD1 4.42Å; L112-L115 WeakPolarHBondContact O-CB 3.26Å; L112-L115 PolarHBondContact O-N 3.33Å; L112-L115 VanDerWaalsContact O-N 3.15Å; L112-M116 PolarHBondContact O-N 2.86Å; L112-F392 HydrophobicContact CB-CD1 4.15Å; L112-F392 HydrophobicContact CB-CE1 4.2Å; L112-F392 HydrophobicContact CD2-CD1 3.99Å; L112-E395 HydrophobicContact CD2-CB 4.11Å; L112-E395 HydrophobicContact CD2-CG 4.22Å; L112-V396 HydrophobicContact CD1-CG2 4.36Å; L112-V396 HydrophobicContact CD2-CG2 3.95Å
113	L	96.4	Very high	96.8	Very high	86 Å²	86	57 Å²	57	45%	0.45	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-38.9	173.4	-64.9	-179.6	0	0	0	111.5	N108 H109 P110 L115 M116 T117	N108-L113 HydrophobicContact CB-CD1 4.32Å; N108-L113 VanDerWaalsContact O-CD1 3.26Å; N108-L113 WeakPolarHBondContact O-CD1 3.22Å; H109-L113 PolarHBondContact O-N 3.43Å; H109-L113 VanDerWaalsContact O-N 3.13Å; P110-L113 PolarHBondContact O-N 2.79Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 PolarHBondContact O-N 3.47Å; L113-M116 WeakPolarHBondContact O-CB 3.39Å; L113-M116 PolarHBondContact O-N 2.75Å; L113-M116 VanDerWaalsContact O-N 3.08Å; L113-T117 PolarHBondContact O-N 3.36Å
114	K	96.7	Very high	96.7	Very high	157 Å²	157	56.5 Å²	56.5	68%	0.683	31%	0.313	S	S	*	.	H	α-helix	trans	-60	-36.5	175.4	-172.9	178.1	178.3	-177.3	0	112.4	P110 L112 M116 T117 N118	P110-K114 WeakPolarHBondContact O-CB 3.46Å; P110-K114 PolarHBondContact O-N 2.99Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 2.96Å; K114-M116 VanDerWaalsContact C-N 3.31Å; K114-M116 PolarHBondContact O-N 2.84Å; K114-T117 PolarHBondContact O-N 2.98Å; K114-T117 PolarHBondContact O-OG1 3.32Å; K114-N118 PolarHBondContact O-N 2.86Å
115	L	96.6	Very high	96.7	Very high	26 Å²	26	59.1 Å²	59.1	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-62.9	-37.9	174.7	-68.2	177.4	0	0	0	112.3	A111 L112 L113 T117 N118 N121 L391 F392 E395	A111-L115 PolarHBondContact O-N 3.36Å; L112-L115 HydrophobicContact CD2-CD1 4.42Å; L112-L115 WeakPolarHBondContact O-CB 3.26Å; L112-L115 PolarHBondContact O-N 3.33Å; L112-L115 VanDerWaalsContact O-N 3.15Å; L113-L115 VanDerWaalsContact C-N 3.28Å; L113-L115 PolarHBondContact O-N 3.47Å; L115-T117 VanDerWaalsContact C-N 3.31Å; L115-T117 PolarHBondContact O-N 2.9Å; L115-N118 PolarHBondContact O-N 3.28Å; L115-N121 PolarHBondContact O-ND2 2.83Å; L115-L391 HydrophobicContact CD1-CG 4.39Å; L115-L391 HydrophobicContact CD2-CD1 4.4Å; L115-F392 HydrophobicContact CB-CE1 4.37Å; L115-F392 HydrophobicContact CD1-CD1 3.76Å; L115-F392 HydrophobicContact CD1-CE1 4.34Å; L115-E395 HydrophobicContact CD1-CB 3.56Å; L115-E395 HydrophobicContact CD1-CG 4.16Å; L115-E395 HydrophobicContact CG-CB 4.28Å; L115-E395 HydrophobicContact CG-CG 4.43Å
116	M	94.5	Very high	96.6	Very high	91 Å²	91	64.5 Å²	64.5	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-68.3	-31.3	179.1	-68.7	-61	-67.8	0	0	112.7	L112 L113 K114 N118 F125 F392	L112-M116 PolarHBondContact O-N 2.86Å; L113-M116 WeakPolarHBondContact O-CB 3.39Å; L113-M116 PolarHBondContact O-N 2.75Å; L113-M116 VanDerWaalsContact O-N 3.08Å; K114-M116 VanDerWaalsContact C-N 3.31Å; K114-M116 PolarHBondContact O-N 2.84Å; M116-N118 VanDerWaalsContact C-N 3.33Å; M116-F125 HydrophobicContact CE-CE2 4.48Å; M116-F125 HydrophobicContact CE-CZ 4.46Å; M116-F125 HydrophobicContact SD-CD1 4.29Å; M116-F125 HydrophobicContact SD-CD2 4.38Å; M116-F125 HydrophobicContact SD-CE1 3.64Å; M116-F125 HydrophobicContact SD-CE2 3.72Å; M116-F125 HydrophobicContact SD-CZ 3.31Å; M116-F125 WeakPolarHBondContact SD-CZ 3.35Å; M116-F392 HydrophobicContact CG-CE1 4.15Å; M116-F392 HydrophobicContact CG-CZ 3.97Å; M116-F392 HydrophobicContact SD-CE1 4.13Å; M116-F392 HydrophobicContact SD-CE2 4.37Å; M116-F392 HydrophobicContact SD-CZ 3.44Å; M116-F392 WeakPolarHBondContact SD-CZ 3.33Å
117	T	94.4	Very high	96.6	Very high	109 Å²	109	69.1 Å²	69.1	67%	0.669	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.6	178.9	58.3	0	0	0	0	114.1	L113 K114 L115 P119	L113-T117 PolarHBondContact O-N 3.36Å; K114-T117 PolarHBondContact O-N 2.98Å; K114-T117 PolarHBondContact O-OG1 3.32Å; L115-T117 VanDerWaalsContact C-N 3.31Å; L115-T117 PolarHBondContact O-N 2.9Å; T117-P119 VanDerWaalsContact O-CD 3.3Å; T117-P119 WeakPolarHBondContact O-CD 3.43Å
118	N	95.4	Very high	96.6	Very high	61 Å²	61	73.1 Å²	73.1	33%	0.326	40%	0.395	S	S	.	.			trans	-80.3	116	-179.6	-176.3	-12.5	0	0	0	110.4	K114 L115 M116 N120 N121	K114-N118 PolarHBondContact O-N 2.86Å; L115-N118 PolarHBondContact O-N 3.28Å; M116-N118 VanDerWaalsContact C-N 3.33Å; N118-N120 PolarHBondContact O-N 2.97Å; N118-N120 VanDerWaalsContact O-N 3.09Å; N118-N120 WeakPolarHBondContact OD1-CB 3.47Å; N118-N120 PolarHBondContact OD1-N 3.26Å; N118-N121 PolarHBondContact O-N 2.93Å
119	P	95.1	Very high	96.6	Very high	94 Å²	94	71.8 Å²	71.8	61%	0.61	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-57.4	-28.2	-179	-25.4	35.9	0	0	0	114	T117 N121 L122	T117-P119 VanDerWaalsContact O-CD 3.3Å; T117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-N121 PolarHBondContact O-N 2.82Å; P119-L122 WeakPolarHBondContact O-CG 3.24Å; P119-L122 PolarHBondContact O-N 2.94Å
120	N	95.1	Very high	96.7	Very high	140 Å²	140	72.2 Å²	72.2	75%	0.749	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-68.6	-16.6	179.9	-63.9	-15.8	0	0	0	113.1	N118	N118-N120 PolarHBondContact O-N 2.97Å; N118-N120 VanDerWaalsContact O-N 3.09Å; N118-N120 WeakPolarHBondContact OD1-CB 3.47Å; N118-N120 PolarHBondContact OD1-N 3.26Å
121	N	96.6	Very high	96.8	Very high	20 Å²	20	69.8 Å²	69.8	11%	0.107	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-94.1	-10	-178.9	-65.6	-20.6	0	0	0	113.2	L115 N118 P119 S123 T124 F125 L391	L115-N121 PolarHBondContact O-ND2 2.83Å; N118-N121 PolarHBondContact O-N 2.93Å; P119-N121 PolarHBondContact O-N 2.82Å; N121-S123 VanDerWaalsContact C-N 3.32Å; N121-S123 PolarHBondContact O-N 3.09Å; N121-T124 VanDerWaalsContact O-CB 3.3Å; N121-T124 WeakPolarHBondContact O-CB 3.32Å; N121-T124 PolarHBondContact O-N 2.86Å; N121-F125 HydrophobicContact CB-CE2 3.77Å; N121-F125 WeakPolarHBondContact O-CD2 3.11Å; N121-F125 WeakPolarHBondContact O-CE2 3.28Å; N121-L391 HydrophobicContact CB-CD2 3.81Å
122	L	95.9	Very high	96.8	Very high	101 Å²	101	71 Å²	71	53%	0.529	39%	0.392	S	S	.	.	H	α-helix	trans	-56.9	-43.5	-171.3	-67.4	176.1	0	0	0	112.7	P119 T124 F125 V126	P119-L122 WeakPolarHBondContact O-CG 3.24Å; P119-L122 PolarHBondContact O-N 2.94Å; L122-T124 VanDerWaalsContact C-N 3.26Å; L122-T124 PolarHBondContact O-N 3.34Å; L122-F125 PolarHBondContact O-N 3.45Å; L122-F125 VanDerWaalsContact O-N 3.14Å; L122-V126 PolarHBondContact O-N 3.37Å
123	S	97.5	Very high	96.8	Very high	69 Å²	69	73.9 Å²	73.9	48%	0.483	41%	0.407	S	S	.	.	H	α-helix	trans	-58.4	-37.6	178.9	-174.6	0	0	0	0	112.3	N121 F125 V126 N127	N121-S123 VanDerWaalsContact C-N 3.32Å; N121-S123 PolarHBondContact O-N 3.09Å; S123-F125 PolarHBondContact O-N 3Å; S123-V126 PolarHBondContact O-N 3.46Å; S123-N127 WeakPolarHBondContact O-CB 3.29Å; S123-N127 PolarHBondContact O-N 3.47Å; S123-N127 PolarHBondContact OG-ND2 2.87Å
124	T	97.8	Very high	96.9	Very high	29 Å²	29	75.6 Å²	75.6	18%	0.178	42%	0.416	C	S	.	.	H	α-helix	trans	-61.7	-29	-180	-53.2	0	0	0	0	112.8	N121 L122 P387 L391	N121-T124 VanDerWaalsContact O-CB 3.3Å; N121-T124 WeakPolarHBondContact O-CB 3.32Å; N121-T124 PolarHBondContact O-N 2.86Å; L122-T124 VanDerWaalsContact C-N 3.26Å; L122-T124 PolarHBondContact O-N 3.34Å; T124-P387 HydrophobicContact CG2-CB 3.98Å; T124-L391 HydrophobicContact CG2-CD2 4.37Å
125	F	97.1	Very high	97	Very high	62 Å²	62	71.4 Å²	71.4	27%	0.272	41%	0.405	S	S	.	.	H	α-helix	trans	-87.2	-26.9	-178.3	-61.2	-66.5	0	0	0	113.9	M116 N121 L122 S123 L391 F392	M116-F125 HydrophobicContact CE-CE2 4.48Å; M116-F125 HydrophobicContact CE-CZ 4.46Å; M116-F125 HydrophobicContact SD-CD1 4.29Å; M116-F125 HydrophobicContact SD-CD2 4.38Å; M116-F125 HydrophobicContact SD-CE1 3.64Å; M116-F125 HydrophobicContact SD-CE2 3.72Å; M116-F125 HydrophobicContact SD-CZ 3.31Å; M116-F125 WeakPolarHBondContact SD-CZ 3.35Å; N121-F125 HydrophobicContact CB-CE2 3.77Å; N121-F125 WeakPolarHBondContact O-CD2 3.11Å; N121-F125 WeakPolarHBondContact O-CE2 3.28Å; L122-F125 PolarHBondContact O-N 3.45Å; L122-F125 VanDerWaalsContact O-N 3.14Å; S123-F125 PolarHBondContact O-N 3Å; F125-L391 HydrophobicContact CE1-CD2 4.5Å; F125-L391 HydrophobicContact CE2-CD2 4.28Å; F125-L391 HydrophobicContact CZ-CD2 3.8Å; F125-F392 AromaticContact CE1-CE2 3.67Å; F125-F392 HydrophobicContact CE1-CE2 3.67Å; F125-F392 AromaticContact CE1-CZ 3.89Å; F125-F392 HydrophobicContact CE1-CZ 3.89Å; F125-F392 HydrophobicContact CZ-CE2 4.3Å; F125-F392 HydrophobicContact CZ-CZ 4.12Å
126	V	97.3	Very high	97.1	Very high	114 Å²	114	72.2 Å²	72.2	69%	0.691	41%	0.412	S	S	*	.	H	α-helix	trans	-104.7	-23	-174.9	-58.1	0	0	0	0	113.4	L122 S123	L122-V126 PolarHBondContact O-N 3.37Å; S123-V126 PolarHBondContact O-N 3.46Å
127	N	98.1	Very high	97.3	Very high	102 Å²	102	77.2 Å²	77.2	55%	0.545	43%	0.434	S	S	.	.			trans	-109.8	85.8	-179.5	-62.2	-46.8	0	0	0	110.5	S123 P129	S123-N127 WeakPolarHBondContact O-CB 3.29Å; S123-N127 PolarHBondContact O-N 3.47Å; S123-N127 PolarHBondContact OG-ND2 2.87Å; N127-P129 VanDerWaalsContact O-CD 3.27Å; N127-P129 WeakPolarHBondContact O-CD 3.46Å
128	R	98.4	Very high	97.4	Very high	97 Å²	97	75 Å²	75	37%	0.366	42%	0.419	S	S	.	.			trans	-82.4	112.9	178.4	-169.5	176.9	-175.6	-177.9	3.2	111	W383 G385	R128-W383 VanDerWaalsContact CZ-CE3 3.41Å; R128-W383 VanDerWaalsContact NH1-CE3 3.3Å; R128-G385 PolarHBondContact NH2-O 2.74Å
129	P	98.3	Very high	97.5	Very high	27 Å²	27	73.8 Å²	73.8	18%	0.175	41%	0.41	C	S	.	.			trans	-82.7	159.9	-175.1	31.3	-31.6	0	0	0	112.7	N127 L131 L134 P136 P387	N127-P129 VanDerWaalsContact O-CD 3.27Å; N127-P129 WeakPolarHBondContact O-CD 3.46Å; P129-L131 HydrophobicContact CG-CD2 3.82Å; P129-L131 HydrophobicContact CG-CG 4.14Å; P129-L131 PolarHBondContact O-N 3.02Å; P129-L134 VanDerWaalsContact CB-O 3.26Å; P129-L134 WeakPolarHBondContact CB-O 3.4Å; P129-P136 HydrophobicContact CG-CG 4.48Å; P129-P387 HydrophobicContact CG-CG 3.68Å
130	A	98.6	Very high	97.6	Very high	25 Å²	25	73.1 Å²	73.1	21%	0.207	41%	0.406	C	S	.	.			trans	-80.6	86.8	161	0	0	0	0	0	109.5	G132 I133 L134 T382	A130-G132 PolarHBondContact O-N 3.08Å; A130-I133 HydrophobicContact CB-CD1 4Å; A130-I133 HydrophobicContact CB-CG1 3.72Å; A130-I133 WeakPolarHBondContact O-CG1 3.36Å; A130-I133 PolarHBondContact O-N 3.13Å; A130-L134 PolarHBondContact O-N 3.17Å; A130-T382 WeakPolarHBondContact CA-O 3.3Å; A130-T382 WeakPolarHBondContact CB-O 3.35Å
131	L	98.3	Very high	97.8	Very high	11 Å²	11	71.2 Å²	71.2	6%	0.058	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.9	-164.8	-83.2	178.2	0	0	0	115.2	P129 I133 P135 F139 W383 M384 P387	P129-L131 HydrophobicContact CG-CD2 3.82Å; P129-L131 HydrophobicContact CG-CG 4.14Å; P129-L131 PolarHBondContact O-N 3.02Å; L131-I133 PolarHBondContact O-N 3.15Å; L131-P135 HydrophobicContact CD2-CB 4.28Å; L131-F139 HydrophobicContact CD1-CE2 3.67Å; L131-F139 HydrophobicContact CD1-CZ 3.8Å; L131-F139 HydrophobicContact CD2-CD1 4.33Å; L131-F139 HydrophobicContact CD2-CD2 3.68Å; L131-F139 HydrophobicContact CD2-CE1 4.25Å; L131-F139 HydrophobicContact CD2-CE2 3.59Å; L131-F139 HydrophobicContact CD2-CG 4.07Å; L131-F139 HydrophobicContact CD2-CZ 3.88Å; L131-F139 HydrophobicContact CG-CE2 4.26Å; L131-F139 HydrophobicContact CG-CZ 4.35Å; L131-W383 WeakPolarHBondContact CB-O 3.4Å; L131-W383 WeakPolarHBondContact CD1-O 3.36Å; L131-M384 HydrophobicContact CB-CB 4.21Å; L131-P387 HydrophobicContact CD1-CG 4.3Å; L131-P387 HydrophobicContact CD2-CG 3.9Å; L131-P387 HydrophobicContact CG-CG 4.35Å
132	G	97.3	Very high	97.8	Very high	39 Å²	39	72.4 Å²	72.4	40%	0.402	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-9.5	-179.6	0	0	0	0	0	115.1	A130	A130-G132 PolarHBondContact O-N 3.08Å
133	I	98.3	Very high	97.9	Very high	91 Å²	91	68.4 Å²	68.4	47%	0.467	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-30.3	-179.7	53.6	167.7	0	0	0	113.9	A130 L131 Y377 F380	A130-I133 HydrophobicContact CB-CD1 4Å; A130-I133 HydrophobicContact CB-CG1 3.72Å; A130-I133 WeakPolarHBondContact O-CG1 3.36Å; A130-I133 PolarHBondContact O-N 3.13Å; L131-I133 PolarHBondContact O-N 3.15Å; I133-Y377 HydrophobicContact CG2-CE1 4.39Å; I133-F380 HydrophobicContact CG2-CE2 4.13Å; I133-F380 HydrophobicContact CG2-CZ 3.92Å
134	L	98.4	Very high	97.9	Very high	122 Å²	122	68.9 Å²	68.9	64%	0.639	38%	0.379	S	S	*	.	S	Bend	trans	-135.2	58.9	-175.2	-64.5	170.2	0	0	0	110.4	P129 A130	P129-L134 VanDerWaalsContact CB-O 3.26Å; P129-L134 WeakPolarHBondContact CB-O 3.4Å; A130-L134 PolarHBondContact O-N 3.17Å
135	P	98.5	Very high	97.9	Very high	69 Å²	69	71.5 Å²	71.5	45%	0.448	39%	0.389	S	S	.	.			trans	-66.1	148.5	178.3	30	-35.1	0	0	0	111.2	L131 F139	L131-P135 HydrophobicContact CD2-CB 4.28Å; P135-F139 HydrophobicContact CB-CB 4.09Å; P135-F139 HydrophobicContact CB-CD1 4.02Å; P135-F139 HydrophobicContact CB-CG 4.23Å
136	P	98.2	Very high	98	Very high	44 Å²	44	68.5 Å²	68.5	29%	0.286	38%	0.376	S	S	.	.			trans	-69.2	156.5	173.2	29.2	-31.6	0	0	0	110.6	P129 N138 F139 P387	P129-P136 HydrophobicContact CG-CG 4.48Å; P136-N138 VanDerWaalsContact C-N 3.26Å; P136-N138 PolarHBondContact O-N 3.29Å; P136-N138 VanDerWaalsContact O-N 3.17Å; P136-F139 HydrophobicContact CG-CB 3.99Å; P136-F139 VanDerWaalsContact O-CB 3.26Å; P136-F139 WeakPolarHBondContact O-CB 3.42Å; P136-F139 PolarHBondContact O-N 3.01Å; P136-P387 HydrophobicContact CG-CB 4.5Å; P136-P387 HydrophobicContact CG-CG 4.19Å
137	E	97.9	Very high	98	Very high	196 Å²	196	63.1 Å²	63.1	92%	0.916	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-43.5	-176.3	-177.9	177.2	-164.8	0	0	113.3	F139	E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.46Å
138	N	97.1	Very high	98	Very high	63 Å²	63	61.1 Å²	61.1	34%	0.337	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	6.3	-176.9	69.6	-11.3	0	0	0	114.6	P136 D141 K142	P136-N138 VanDerWaalsContact C-N 3.26Å; P136-N138 PolarHBondContact O-N 3.29Å; P136-N138 VanDerWaalsContact O-N 3.17Å; N138-D141 PolarHBondContact O-N 3.24Å; N138-K142 WeakPolarHBondContact O-CG 3.3Å; N138-K142 PolarHBondContact O-N 3.42Å
139	F	98.1	Very high	98	Very high	34 Å²	34	58.9 Å²	58.9	15%	0.149	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-46	-175.3	-171.6	-114.5	0	0	0	113.3	L131 P135 P136 E137 D141 K142 I143	L131-F139 HydrophobicContact CD1-CE2 3.67Å; L131-F139 HydrophobicContact CD1-CZ 3.8Å; L131-F139 HydrophobicContact CD2-CD1 4.33Å; L131-F139 HydrophobicContact CD2-CD2 3.68Å; L131-F139 HydrophobicContact CD2-CE1 4.25Å; L131-F139 HydrophobicContact CD2-CE2 3.59Å; L131-F139 HydrophobicContact CD2-CG 4.07Å; L131-F139 HydrophobicContact CD2-CZ 3.88Å; L131-F139 HydrophobicContact CG-CE2 4.26Å; L131-F139 HydrophobicContact CG-CZ 4.35Å; P135-F139 HydrophobicContact CB-CB 4.09Å; P135-F139 HydrophobicContact CB-CD1 4.02Å; P135-F139 HydrophobicContact CB-CG 4.23Å; P136-F139 HydrophobicContact CG-CB 3.99Å; P136-F139 VanDerWaalsContact O-CB 3.26Å; P136-F139 WeakPolarHBondContact O-CB 3.42Å; P136-F139 PolarHBondContact O-N 3.01Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 3.46Å; F139-D141 VanDerWaalsContact C-N 3.34Å; F139-D141 PolarHBondContact O-N 2.9Å; F139-K142 PolarHBondContact O-N 2.82Å; F139-I143 HydrophobicContact CD1-CG1 4.24Å; F139-I143 HydrophobicContact CD2-CG1 4.21Å; F139-I143 HydrophobicContact CE1-CD1 4.34Å; F139-I143 HydrophobicContact CE1-CG1 3.93Å; F139-I143 HydrophobicContact CE2-CD1 3.88Å; F139-I143 HydrophobicContact CE2-CG1 3.9Å; F139-I143 HydrophobicContact CG-CG1 4.38Å; F139-I143 HydrophobicContact CZ-CD1 3.71Å; F139-I143 HydrophobicContact CZ-CG1 3.75Å; F139-I143 VanDerWaalsContact O-CG1 3.26Å; F139-I143 WeakPolarHBondContact O-CG1 3.49Å; F139-I143 PolarHBondContact O-N 2.88Å
140	P	97.6	Very high	98	Very high	81 Å²	81	58.4 Å²	58.4	53%	0.526	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-42.9	177.4	-24.2	36	0	0	0	112.9	I143 T144	P140-I143 PolarHBondContact O-N 3.27Å; P140-T144 WeakPolarHBondContact O-CB 3.28Å; P140-T144 PolarHBondContact O-N 3.35Å; P140-T144 PolarHBondContact O-OG1 3.03Å
141	D	97.8	Very high	98	Very high	99 Å²	99	59 Å²	59	53%	0.529	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-46	178.4	-63.3	-22.7	0	0	0	110.8	N138 F139 I143 T144 E145	N138-D141 PolarHBondContact O-N 3.24Å; F139-D141 VanDerWaalsContact C-N 3.34Å; F139-D141 PolarHBondContact O-N 2.9Å; D141-I143 VanDerWaalsContact C-N 3.31Å; D141-I143 PolarHBondContact O-N 2.9Å; D141-T144 WeakPolarHBondContact O-CA 3.06Å; D141-T144 WeakPolarHBondContact O-CB 3.29Å; D141-T144 PolarHBondContact O-N 3.16Å; D141-E145 WeakPolarHBondContact O-CB 3.35Å; D141-E145 VanDerWaalsContact O-CG 3.31Å; D141-E145 WeakPolarHBondContact O-CG 3.4Å; D141-E145 PolarHBondContact O-N 3.35Å
142	K	97.4	Very high	97.9	Very high	45 Å²	45	58.8 Å²	58.8	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-35.5	178.8	-69.6	-67.6	160.2	-148.3	0	112.6	N138 F139 T144 E145 S146 V394	N138-K142 WeakPolarHBondContact O-CG 3.3Å; N138-K142 PolarHBondContact O-N 3.42Å; F139-K142 PolarHBondContact O-N 2.82Å; K142-T144 VanDerWaalsContact C-N 3.35Å; K142-E145 IonicContact NZ-OE1 2.72Å; K142-E145 IonicContact NZ-OE2 3.2Å; K142-E145 PolarHBondContact NZ-OE2 3.13Å; K142-S146 VanDerWaalsContact O-CB 3.3Å; K142-S146 WeakPolarHBondContact O-CB 3.2Å; K142-S146 PolarHBondContact O-N 3.26Å; K142-S146 PolarHBondContact O-OG 2.88Å; K142-V394 HydrophobicContact CD-CG2 4.1Å
143	I	98.2	Very high	97.7	Very high	17 Å²	17	59.9 Å²	59.9	9%	0.087	33%	0.333	C	S	.	.	H	α-helix	trans	-66.2	-39.7	172.5	-68.2	-69.6	0	0	0	110.9	F139 P140 D141 S146 L147 L148 V158 T160 N390	F139-I143 HydrophobicContact CD1-CG1 4.24Å; F139-I143 HydrophobicContact CD2-CG1 4.21Å; F139-I143 HydrophobicContact CE1-CD1 4.34Å; F139-I143 HydrophobicContact CE1-CG1 3.93Å; F139-I143 HydrophobicContact CE2-CD1 3.88Å; F139-I143 HydrophobicContact CE2-CG1 3.9Å; F139-I143 HydrophobicContact CG-CG1 4.38Å; F139-I143 HydrophobicContact CZ-CD1 3.71Å; F139-I143 HydrophobicContact CZ-CG1 3.75Å; F139-I143 VanDerWaalsContact O-CG1 3.26Å; F139-I143 WeakPolarHBondContact O-CG1 3.49Å; F139-I143 PolarHBondContact O-N 2.88Å; P140-I143 PolarHBondContact O-N 3.27Å; D141-I143 VanDerWaalsContact C-N 3.31Å; D141-I143 PolarHBondContact O-N 2.9Å; I143-S146 CarbonylContact O-C 3.36Å; I143-S146 PolarHBondContact O-N 3.23Å; I143-L147 HydrophobicContact CD1-CD1 3.96Å; I143-L147 PolarHBondContact O-N 2.9Å; I143-L148 HydrophobicContact CG2-CD1 4Å; I143-L148 HydrophobicContact CG2-CG 3.9Å; I143-L148 PolarHBondContact O-N 3.38Å; I143-V158 HydrophobicContact CG2-CG1 3.77Å; I143-T160 HydrophobicContact CD1-CG2 3.68Å; I143-N390 WeakPolarHBondContact CD1-ND2 3.34Å
144	T	98.1	Very high	97.4	Very high	79 Å²	79	58.2 Å²	58.2	49%	0.485	34%	0.339	S	S	.	.	H	α-helix	trans	-66.7	-49.1	178.6	-57.8	0	0	0	0	112.1	P140 D141 K142 S146 S149	P140-T144 WeakPolarHBondContact O-CB 3.28Å; P140-T144 PolarHBondContact O-N 3.35Å; P140-T144 PolarHBondContact O-OG1 3.03Å; D141-T144 WeakPolarHBondContact O-CA 3.06Å; D141-T144 WeakPolarHBondContact O-CB 3.29Å; D141-T144 PolarHBondContact O-N 3.16Å; K142-T144 VanDerWaalsContact C-N 3.35Å; T144-S146 VanDerWaalsContact C-N 3.26Å; T144-S146 PolarHBondContact O-N 3.24Å; T144-S149 WeakPolarHBondContact O-CB 3.42Å; T144-S149 PolarHBondContact O-N 2.79Å
145	E	97.8	Very high	97.3	Very high	84 Å²	84	52.8 Å²	52.8	39%	0.393	31%	0.31	S	S	.	.	H	α-helix	trans	-64.6	-28.6	177.4	-70.1	172.2	-177.8	0	0	112.9	D141 K142 S149 V394	D141-E145 WeakPolarHBondContact O-CB 3.35Å; D141-E145 VanDerWaalsContact O-CG 3.31Å; D141-E145 WeakPolarHBondContact O-CG 3.4Å; D141-E145 PolarHBondContact O-N 3.35Å; K142-E145 IonicContact NZ-OE1 2.72Å; K142-E145 IonicContact NZ-OE2 3.2Å; K142-E145 PolarHBondContact NZ-OE2 3.13Å; E145-S149 PolarHBondContact O-OG 3.02Å; E145-S149 VanDerWaalsContact O-OG 3.11Å; E145-V394 HydrophobicContact CB-CG1 4.22Å; E145-V394 HydrophobicContact CB-CG2 3.81Å
146	S	97.8	Very high	97	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-94	178.8	63.6	0	0	0	0	112.9	K142 I143 T144 L148 S149 L397	K142-S146 VanDerWaalsContact O-CB 3.3Å; K142-S146 WeakPolarHBondContact O-CB 3.2Å; K142-S146 PolarHBondContact O-N 3.26Å; K142-S146 PolarHBondContact O-OG 2.88Å; I143-S146 CarbonylContact O-C 3.36Å; I143-S146 PolarHBondContact O-N 3.23Å; T144-S146 VanDerWaalsContact C-N 3.26Å; T144-S146 PolarHBondContact O-N 3.24Å; S146-L148 PolarHBondContact O-N 3.09Å; S146-S149 WeakPolarHBondContact O-CB 3.46Å; S146-S149 PolarHBondContact O-N 2.85Å; S146-S149 PolarHBondContact O-OG 3.1Å; S146-L397 WeakPolarHBondContact O-CD1 3.43Å
147	L	98.4	Very high	96.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-43.8	-168.1	-65.1	172.1	0	0	0	113	I143 S149 I150 A151 V158 T160 F356 T362 Y366 L393	I143-L147 HydrophobicContact CD1-CD1 3.96Å; I143-L147 PolarHBondContact O-N 2.9Å; L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 2.82Å; L147-I150 CarbonylContact O-C 3.52Å; L147-I150 WeakPolarHBondContact O-CG1 3.28Å; L147-I150 PolarHBondContact O-N 3.04Å; L147-A151 PolarHBondContact O-N 3.26Å; L147-V158 HydrophobicContact CB-CG1 4.14Å; L147-V158 HydrophobicContact CB-CG2 4.23Å; L147-V158 HydrophobicContact CD1-CG1 4.38Å; L147-V158 HydrophobicContact CD1-CG2 3.99Å; L147-T160 HydrophobicContact CD1-CG2 3.59Å; L147-F356 HydrophobicContact CD1-CE2 4.38Å; L147-F356 HydrophobicContact CD1-CZ 4.03Å; L147-F356 HydrophobicContact CD2-CD2 4.44Å; L147-F356 HydrophobicContact CD2-CE1 4.49Å; L147-F356 HydrophobicContact CD2-CE2 3.53Å; L147-F356 HydrophobicContact CD2-CZ 3.57Å; L147-F356 HydrophobicContact CG-CZ 4.38Å; L147-T362 HydrophobicContact CD1-CG2 4.32Å; L147-T362 HydrophobicContact CD2-CG2 4.41Å; L147-Y366 WeakPolarHBondContact CA-OH 3.48Å; L147-Y366 HydrophobicContact CB-CE1 4.46Å; L147-Y366 WeakPolarHBondContact CB-OH 3.28Å; L147-Y366 PolarHBondContact O-OH 2.72Å; L147-L393 HydrophobicContact CD2-CD2 3.57Å; L147-L393 HydrophobicContact CG-CD2 4.08Å
148	L	98.1	Very high	96.7	Very high	60 Å²	60	48.5 Å²	48.5	31%	0.314	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-71.6	-23.3	-179.3	-58.1	176.7	0	0	0	112.7	I143 S146 I150 A151 V158	I143-L148 HydrophobicContact CG2-CD1 4Å; I143-L148 HydrophobicContact CG2-CG 3.9Å; I143-L148 PolarHBondContact O-N 3.38Å; S146-L148 PolarHBondContact O-N 3.09Å; L148-I150 PolarHBondContact O-N 2.96Å; L148-A151 PolarHBondContact O-N 2.97Å; L148-V158 HydrophobicContact CD2-CB 4.25Å; L148-V158 HydrophobicContact CD2-CG1 3.76Å; L148-V158 HydrophobicContact CG-CG1 4.33Å
149	S	98	Very high	96.7	Very high	50 Å²	50	47 Å²	47	35%	0.35	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-70.1	-6.7	174.8	79.4	0	0	0	0	114.5	T144 E145 S146 L147 R401	T144-S149 WeakPolarHBondContact O-CB 3.42Å; T144-S149 PolarHBondContact O-N 2.79Å; E145-S149 PolarHBondContact O-OG 3.02Å; E145-S149 VanDerWaalsContact O-OG 3.11Å; S146-S149 WeakPolarHBondContact O-CB 3.46Å; S146-S149 PolarHBondContact O-N 2.85Å; S146-S149 PolarHBondContact O-OG 3.1Å; L147-S149 VanDerWaalsContact C-N 3.25Å; L147-S149 PolarHBondContact O-N 2.82Å; S149-R401 VanDerWaalsContact CB-NH2 3.3Å; S149-R401 PolarHBondContact O-NH2 2.84Å; S149-R401 PolarHBondContact OG-NH2 3.13Å
150	I	98.2	Very high	96.7	Very high	18 Å²	18	45.8 Å²	45.8	9%	0.092	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-130.8	22.3	178.1	56.8	168.9	0	0	0	110.6	L147 L148 F339 W340 L360 L397	L147-I150 CarbonylContact O-C 3.52Å; L147-I150 WeakPolarHBondContact O-CG1 3.28Å; L147-I150 PolarHBondContact O-N 3.04Å; L148-I150 PolarHBondContact O-N 2.96Å; I150-F339 HydrophobicContact CB-CD1 4.08Å; I150-F339 HydrophobicContact CB-CE1 3.89Å; I150-F339 HydrophobicContact CB-CE2 4.49Å; I150-F339 HydrophobicContact CB-CG 4.48Å; I150-F339 HydrophobicContact CB-CZ 4.11Å; I150-F339 HydrophobicContact CD1-CD1 4.35Å; I150-F339 HydrophobicContact CD1-CE1 3.34Å; I150-F339 HydrophobicContact CD1-CE2 4.33Å; I150-F339 HydrophobicContact CD1-CZ 3.32Å; I150-F339 HydrophobicContact CG1-CE1 4.11Å; I150-F339 HydrophobicContact CG1-CZ 4.26Å; I150-F339 HydrophobicContact CG2-CD1 4.34Å; I150-F339 HydrophobicContact CG2-CD2 4.07Å; I150-F339 HydrophobicContact CG2-CE1 4.15Å; I150-F339 HydrophobicContact CG2-CE2 3.85Å; I150-F339 HydrophobicContact CG2-CG 4.32Å; I150-F339 HydrophobicContact CG2-CZ 3.9Å; I150-W340 HydrophobicContact CD1-CZ2 4.09Å; I150-W340 HydrophobicContact CG1-CZ2 4.41Å; I150-W340 PolarHBondContact O-NE1 3.35Å; I150-L360 HydrophobicContact CD1-CD2 4.19Å; I150-L397 HydrophobicContact CD1-CD1 4.28Å; I150-L397 HydrophobicContact CD1-CD2 4.31Å; I150-L397 HydrophobicContact CG2-CD1 4.16Å; I150-L397 HydrophobicContact CG2-CD2 3.93Å
151	A	98.3	Very high	96.8	Very high	37 Å²	37	41.9 Å²	41.9	31%	0.306	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-61.8	134.4	-177.9	0	0	0	0	0	111.3	L147 L148 M155 Y366	L147-A151 PolarHBondContact O-N 3.26Å; L148-A151 PolarHBondContact O-N 2.97Å; A151-M155 WeakPolarHBondContact CB-O 3.29Å; A151-Y366 HydrophobicContact CB-CD1 4.3Å; A151-Y366 HydrophobicContact CB-CE1 4.12Å
152	P	97.6	Very high	96.8	Very high	6 Å²	6	39.6 Å²	39.6	4%	0.039	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-58.2	155.7	171.9	-25.2	35.1	0	0	0	112.8	G154 M155 V354 Y366	P152-G154 PolarHBondContact O-N 3.29Å; P152-M155 HydrophobicContact CB-SD 4.17Å; P152-M155 HydrophobicContact CG-SD 4.33Å; P152-M155 PolarHBondContact O-N 2.95Å; P152-M155 VanDerWaalsContact O-N 3.16Å; P152-V354 HydrophobicContact CB-CG2 4.25Å; P152-V354 HydrophobicContact CG-CB 4.08Å; P152-V354 HydrophobicContact CG-CG1 4.3Å; P152-V354 HydrophobicContact CG-CG2 3.99Å; P152-Y366 VanDerWaalsContact CD-CG 3.48Å; P152-Y366 HydrophobicContact CG-CD2 3.86Å; P152-Y366 HydrophobicContact CG-CE2 4.41Å; P152-Y366 HydrophobicContact CG-CG 4.11Å
153	S	92.6	Very high	96.9	Very high	63 Å²	63	40.1 Å²	40.1	44%	0.441	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	135.6	177.1	-172.3	0	0	0	0	111.6	M155 D348	S153-M155 VanDerWaalsContact C-N 3.26Å; S153-M155 PolarHBondContact O-N 2.99Å; S153-D348 WeakPolarHBondContact CB-O 3.49Å; S153-D348 PolarHBondContact OG-O 3.17Å
154	G	91.9	Very high	96.9	Very high	56 Å²	56	39.8 Å²	39.8	58%	0.577	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	4	179.1	0	0	0	0	0	115.5	P152	P152-G154 PolarHBondContact O-N 3.29Å
155	M	95.6	Very high	97	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.034	24%	0.237	C	C	.	.			trans	-118.5	120.3	179.5	-58	-172.6	-178.6	0	0	111.1	A151 P152 S153 A351 E352 V354 Y366	A151-M155 WeakPolarHBondContact CB-O 3.29Å; P152-M155 HydrophobicContact CB-SD 4.17Å; P152-M155 HydrophobicContact CG-SD 4.33Å; P152-M155 PolarHBondContact O-N 2.95Å; P152-M155 VanDerWaalsContact O-N 3.16Å; S153-M155 VanDerWaalsContact C-N 3.26Å; S153-M155 PolarHBondContact O-N 2.99Å; M155-A351 VanDerWaalsContact CE-C 3.48Å; M155-A351 HydrophobicContact CE-CB 3.78Å; M155-A351 WeakPolarHBondContact CE-O 3.4Å; M155-E352 VanDerWaalsContact CE-C 3.44Å; M155-E352 WeakPolarHBondContact CE-O 3.29Å; M155-V354 HydrophobicContact CE-CG2 3.84Å; M155-V354 HydrophobicContact SD-CB 4.38Å; M155-V354 HydrophobicContact SD-CG2 3.98Å; M155-Y366 WeakPolarHBondContact SD-CB 3.43Å
156	T	93.3	Very high	97	Very high	95 Å²	95	34.9 Å²	34.9	58%	0.583	23%	0.228	S	C	*	.			trans	-109.6	-3.2	-178.2	54.8	0	0	0	0	113.1	D369	T156-D369 PolarHBondContact OG1-OD1 3.17Å; T156-D369 VanDerWaalsContact OG1-OD1 3.09Å
157	R	90.9	Very high	97.1	Very high	94 Å²	94	34.9 Å²	34.9	36%	0.355	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.1	-175	-61.4	-176.9	-171.5	173.7	8.1	111.2	Y366 Q367 D369	R157-Y366 WeakPolarHBondContact O-CA 3.24Å; R157-Q367 PolarHBondContact O-N 3.5Å; R157-D369 VanDerWaalsContact CD-OD1 3.28Å; R157-D369 WeakPolarHBondContact CD-OD1 3.44Å; R157-D369 WeakPolarHBondContact CG-OD1 3.29Å; R157-D369 IonicContact CZ-OD1 3.44Å; R157-D369 IonicContact CZ-OD2 2.73Å; R157-D369 IonicContact NE-OD1 2.7Å; R157-D369 PolarHBondContact NE-OD1 3.34Å; R157-D369 IonicContact NE-OD2 3.7Å; R157-D369 IonicContact NH2-OD1 2.84Å; R157-D369 IonicContact NH2-OD2 3.35Å; R157-D369 PolarHBondContact NH2-OD2 3.28Å
158	V	97.6	Very high	97.1	Very high	31 Å²	31	34.9 Å²	34.9	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.8	176.9	66.9	0	0	0	0	110.4	I143 L147 L148 F356 Y366	I143-V158 HydrophobicContact CG2-CG1 3.77Å; L147-V158 HydrophobicContact CB-CG1 4.14Å; L147-V158 HydrophobicContact CB-CG2 4.23Å; L147-V158 HydrophobicContact CD1-CG1 4.38Å; L147-V158 HydrophobicContact CD1-CG2 3.99Å; L148-V158 HydrophobicContact CD2-CB 4.25Å; L148-V158 HydrophobicContact CD2-CG1 3.76Å; L148-V158 HydrophobicContact CG-CG1 4.33Å; V158-F356 HydrophobicContact CG2-CE1 3.85Å; V158-F356 HydrophobicContact CG2-CZ 3.76Å; V158-Y366 HydrophobicContact CB-CD1 3.74Å; V158-Y366 HydrophobicContact CB-CE1 3.7Å; V158-Y366 HydrophobicContact CG2-CD1 3.89Å; V158-Y366 HydrophobicContact CG2-CE1 3.68Å; V158-Y366 HydrophobicContact CG2-CG 4.41Å
159	Q	98	Very high	97.1	Very high	31 Å²	31	34.3 Å²	34.3	15%	0.145	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.6	171.9	179.3	54.8	70.2	0	0	109.2	M161 G364 Y365 I379	Q159-M161 HydrophobicContact CG-CE 3.75Å; Q159-G364 CarbonylContact O-C 3.53Å; Q159-G364 WeakPolarHBondContact O-CA 3.42Å; Q159-Y365 HydrophobicContact CB-CD1 4.16Å; Q159-Y365 HydrophobicContact CB-CD2 4.41Å; Q159-Y365 HydrophobicContact CB-CE1 3.7Å; Q159-Y365 HydrophobicContact CB-CE2 4Å; Q159-Y365 HydrophobicContact CB-CG 4.49Å; Q159-Y365 HydrophobicContact CG-CD1 4.4Å; Q159-Y365 HydrophobicContact CG-CE1 3.59Å; Q159-Y365 PolarHBondContact N-O 3.43Å; Q159-Y365 PolarHBondContact O-N 3.25Å; Q159-I379 HydrophobicContact CG-CG2 4.01Å
160	T	98.5	Very high	97.2	Very high	8 Å²	8	32.4 Å²	32.4	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	145.1	178.3	51.2	0	0	0	0	112.2	I143 L147 M384	I143-T160 HydrophobicContact CD1-CG2 3.68Å; L147-T160 HydrophobicContact CD1-CG2 3.59Å; T160-M384 CarbonylContact C-O 3.2Å; T160-M384 WeakPolarHBondContact CB-O 3.26Å; T160-M384 CarbonylContact O-C 3.54Å; T160-M384 PolarHBondContact OG1-O 2.96Å
161	M	98.8	Very high	97.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	170	179.9	-71	-65	163	0	0	109.3	Q159 A167 N170 T362 G363 Y365 I379 N381 G385	Q159-M161 HydrophobicContact CG-CE 3.75Å; M161-A167 HydrophobicContact CB-CB 4.3Å; M161-N170 HydrophobicContact CE-CB 3.58Å; M161-N170 VanDerWaalsContact CE-CG 3.4Å; M161-N170 HydrophobicContact SD-CB 4.4Å; M161-T362 PolarHBondContact O-OG1 2.82Å; M161-G363 CarbonylContact C-O 3.43Å; M161-G363 PolarHBondContact N-O 2.84Å; M161-G363 CarbonylContact O-C 3.52Å; M161-G363 VanDerWaalsContact O-C 3.27Å; M161-G363 VanDerWaalsContact O-CA 3.24Å; M161-G363 WeakPolarHBondContact O-CA 3.45Å; M161-G363 PolarHBondContact O-N 3.27Å; M161-Y365 HydrophobicContact CE-CE1 4.28Å; M161-I379 HydrophobicContact CE-CG2 3.82Å; M161-N381 PolarHBondContact SD-ND2 2.85Å; M161-G385 WeakPolarHBondContact O-CA 3.37Å
162	A	98.6	Very high	97.2	Very high	51 Å²	51	29.9 Å²	29.9	42%	0.421	19%	0.191	S	C	.	.	S	Bend	trans	-86.9	-27.4	-176.7	0	0	0	0	0	113.8	C166	A162-C166 PolarHBondContact N-SG 3.12Å
163	C	98.8	Very high	97.3	Very high	55 Å²	55	33.3 Å²	33.3	37%	0.372	21%	0.205	S	C	.	.	S	Bend	trans	-153.9	173.1	-177.6	73.5	0	0	0	0	111.8	S165 C166 A167	C163-S165 PolarHBondContact O-N 3.47Å; C163-C166 PolarHBondContact N-SG 2.87Å; C163-C166 PolarHBondContact O-N 3.3Å; C163-C166 PolarHBondContact O-SG 3.21Å; C163-C166 VanDerWaalsContact O-SG 3.36Å; C163-A167 WeakPolarHBondContact O-CB 3.46Å; C163-A167 PolarHBondContact O-N 3.49Å
164	G	98.8	Very high	97.6	Very high	11 Å²	11	30.3 Å²	30.3	11%	0.113	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-39.1	178.8	0	0	0	0	0	114	A167 N168 S357	G164-A167 WeakPolarHBondContact O-CB 3.3Å; G164-A167 PolarHBondContact O-N 3.1Å; G164-N168 PolarHBondContact O-N 2.88Å; G164-S357 VanDerWaalsContact N-CB 3.34Å; G164-S357 PolarHBondContact N-OG 3.39Å
165	S	98.9	Very high	97.9	Very high	29 Å²	29	27.7 Å²	27.7	20%	0.203	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-50.4	179.2	-57.2	0	0	0	0	111.5	C163 A167 N168 E169 C224	C163-S165 PolarHBondContact O-N 3.47Å; S165-A167 VanDerWaalsContact C-N 3.31Å; S165-A167 PolarHBondContact O-N 2.94Å; S165-N168 PolarHBondContact O-N 2.64Å; S165-E169 VanDerWaalsContact O-CG 3.31Å; S165-E169 WeakPolarHBondContact O-CG 3.34Å; S165-E169 PolarHBondContact O-N 3.07Å; S165-C224 PolarHBondContact O-SG 3.16Å
166	C	98.8	Very high	98	Very high	30 Å²	30	29.4 Å²	29.4	20%	0.203	16%	0.164	C	C	.	.	H	α-helix	trans	-74.2	-22.8	179.8	59.6	0	0	0	0	113.1	A162 C163 N170	A162-C166 PolarHBondContact N-SG 3.12Å; C163-C166 PolarHBondContact N-SG 2.87Å; C163-C166 PolarHBondContact O-N 3.3Å; C163-C166 PolarHBondContact O-SG 3.21Å; C163-C166 VanDerWaalsContact O-SG 3.36Å; C166-N170 WeakPolarHBondContact O-CB 3.39Å; C166-N170 PolarHBondContact O-N 3.47Å; C166-N170 VanDerWaalsContact O-N 3.16Å; C166-N170 PolarHBondContact O-ND2 2.9Å
167	A	98.9	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-51.6	165.8	0	0	0	0	0	111.3	M161 C163 G164 S165 N170 A171 G364	M161-A167 HydrophobicContact CB-CB 4.3Å; C163-A167 WeakPolarHBondContact O-CB 3.46Å; C163-A167 PolarHBondContact O-N 3.49Å; G164-A167 WeakPolarHBondContact O-CB 3.3Å; G164-A167 PolarHBondContact O-N 3.1Å; S165-A167 VanDerWaalsContact C-N 3.31Å; S165-A167 PolarHBondContact O-N 2.94Å; A167-N170 PolarHBondContact O-N 3.28Å; A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 3.43Å; A167-G364 WeakPolarHBondContact CB-O 2.94Å
168	N	98.9	Very high	98.5	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-44.6	179.6	-74.7	-17.9	0	0	0	112.9	G164 S165 N170 A171 F172 H218 C224 H325 D327 S355	G164-N168 PolarHBondContact O-N 2.88Å; S165-N168 PolarHBondContact O-N 2.64Å; N168-N170 VanDerWaalsContact C-N 3.31Å; N168-N170 PolarHBondContact O-N 3.35Å; N168-A171 WeakPolarHBondContact O-CB 2.92Å; N168-A171 PolarHBondContact O-N 3.46Å; N168-F172 HydrophobicContact CB-CE2 4.34Å; N168-F172 HydrophobicContact CB-CZ 4.14Å; N168-F172 WeakPolarHBondContact O-CD1 3.41Å; N168-F172 WeakPolarHBondContact O-CD2 3.28Å; N168-F172 WeakPolarHBondContact O-CG 3.43Å; N168-F172 PolarHBondContact O-N 2.84Å; N168-H218 PolarHBondContact ND2-O 3.26Å; N168-C224 WeakPolarHBondContact CB-SG 3.37Å; N168-H325 PolarHBondContact OD1-CE1 3.34Å; N168-H325 VanDerWaalsContact OD1-CE1 3.23Å; N168-H325 PolarHBondContact OD1-NE2 3.21Å; N168-D327 PolarHBondContact ND2-OD2 2.97Å; N168-S355 WeakPolarHBondContact OD1-CB 3.1Å; N168-S355 PolarHBondContact OD1-OG 3.03Å
169	E	98.9	Very high	98.5	Very high	47 Å²	47	22 Å²	22	22%	0.22	12%	0.124	C	C	.	.	H	α-helix	trans	-56.5	-43.7	175.7	-69.4	-71.4	179	0	0	112.1	S165 F172 K173 T221 G223 C224	S165-E169 VanDerWaalsContact O-CG 3.31Å; S165-E169 WeakPolarHBondContact O-CG 3.34Å; S165-E169 PolarHBondContact O-N 3.07Å; E169-F172 PolarHBondContact O-N 2.98Å; E169-K173 PolarHBondContact O-N 3.07Å; E169-T221 VanDerWaalsContact CG-OG1 3.28Å; E169-T221 WeakPolarHBondContact CG-OG1 3.48Å; E169-T221 WeakPolarHBondContact OE1-CB 3.4Å; E169-T221 PolarHBondContact OE1-OG1 2.87Å; E169-G223 VanDerWaalsContact OE1-CA 3.3Å; E169-G223 WeakPolarHBondContact OE1-CA 3.38Å; E169-G223 PolarHBondContact OE1-N 3.45Å; E169-C224 PolarHBondContact OE1-N 3.26Å
170	N	98.9	Very high	98.5	Very high	11 Å²	11	22.8 Å²	22.8	6%	0.059	13%	0.125	C	C	.	.	H	α-helix	trans	-77.8	-27.8	-179.3	-75	-85.8	0	0	0	112.7	M161 C166 A167 N168 K173 S174 Y365 I379	M161-N170 HydrophobicContact CE-CB 3.58Å; M161-N170 VanDerWaalsContact CE-CG 3.4Å; M161-N170 HydrophobicContact SD-CB 4.4Å; C166-N170 WeakPolarHBondContact O-CB 3.39Å; C166-N170 PolarHBondContact O-N 3.47Å; C166-N170 VanDerWaalsContact O-N 3.16Å; C166-N170 PolarHBondContact O-ND2 2.9Å; A167-N170 PolarHBondContact O-N 3.28Å; N168-N170 VanDerWaalsContact C-N 3.31Å; N168-N170 PolarHBondContact O-N 3.35Å; N170-K173 PolarHBondContact O-N 3.46Å; N170-K173 WeakPolarHBondContact OD1-CE 3.44Å; N170-K173 PolarHBondContact OD1-NZ 3.44Å; N170-S174 WeakPolarHBondContact O-CB 3.11Å; N170-S174 PolarHBondContact O-N 2.9Å; N170-S174 PolarHBondContact O-OG 3.41Å; N170-Y365 HydrophobicContact CB-CE1 3.75Å; N170-Y365 PolarHBondContact O-OH 3Å; N170-I379 HydrophobicContact CB-CG2 4.16Å
171	A	98.8	Very high	98.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.8	-47.5	165.9	0	0	0	0	0	110.9	A167 N168 K173 S174 I175 H325 I353 Y365	A167-A171 WeakPolarHBondContact O-CB 3.38Å; A167-A171 PolarHBondContact O-N 3.43Å; N168-A171 WeakPolarHBondContact O-CB 2.92Å; N168-A171 PolarHBondContact O-N 3.46Å; A171-K173 VanDerWaalsContact C-N 3.35Å; A171-K173 PolarHBondContact O-N 2.8Å; A171-S174 WeakPolarHBondContact O-CB 3.28Å; A171-S174 PolarHBondContact O-N 2.79Å; A171-S174 VanDerWaalsContact O-N 3.07Å; A171-I175 VanDerWaalsContact O-CG1 3.32Å; A171-I175 WeakPolarHBondContact O-CG1 3.44Å; A171-I175 PolarHBondContact O-N 2.84Å; A171-H325 VanDerWaalsContact CB-CE1 3.48Å; A171-H325 WeakPolarHBondContact CB-CE1 3.28Å; A171-I353 HydrophobicContact CB-CD1 4.03Å; A171-I353 HydrophobicContact CB-CG2 3.85Å; A171-Y365 HydrophobicContact CB-CD1 4.46Å; A171-Y365 HydrophobicContact CB-CD2 4.43Å; A171-Y365 HydrophobicContact CB-CG 4.28Å
172	F	98.9	Very high	98.1	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-57.2	-47	175.5	-56.8	-28.7	0	0	0	111.8	N168 E169 S174 I175 F176 I210 T227 I292 H325	N168-F172 HydrophobicContact CB-CE2 4.34Å; N168-F172 HydrophobicContact CB-CZ 4.14Å; N168-F172 WeakPolarHBondContact O-CD1 3.41Å; N168-F172 WeakPolarHBondContact O-CD2 3.28Å; N168-F172 WeakPolarHBondContact O-CG 3.43Å; N168-F172 PolarHBondContact O-N 2.84Å; E169-F172 PolarHBondContact O-N 2.98Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.02Å; F172-I175 WeakPolarHBondContact O-CB 3.23Å; F172-I175 PolarHBondContact O-N 2.91Å; F172-F176 HydrophobicContact CB-CD2 4.44Å; F172-F176 HydrophobicContact CB-CE2 3.94Å; F172-F176 HydrophobicContact CB-CZ 4.44Å; F172-F176 WeakPolarHBondContact O-CD2 3.2Å; F172-F176 VanDerWaalsContact O-CG 3.23Å; F172-F176 WeakPolarHBondContact O-CG 3.47Å; F172-F176 PolarHBondContact O-N 3.49Å; F172-I210 HydrophobicContact CB-CG1 4.48Å; F172-I210 HydrophobicContact CD1-CD1 4.25Å; F172-I210 HydrophobicContact CD1-CG1 4.03Å; F172-I210 HydrophobicContact CD1-CG2 4.35Å; F172-I210 HydrophobicContact CE1-CG2 4.1Å; F172-I210 HydrophobicContact CG-CG1 4.28Å; F172-T227 HydrophobicContact CE2-CG2 4.42Å; F172-T227 HydrophobicContact CZ-CG2 4.06Å; F172-I292 HydrophobicContact CE1-CB 4.2Å; F172-I292 HydrophobicContact CE1-CD1 3.63Å; F172-I292 HydrophobicContact CE1-CG1 4.42Å; F172-I292 HydrophobicContact CE1-CG2 4.37Å; F172-I292 HydrophobicContact CZ-CD1 3.66Å; F172-H325 AromaticContact CD1-ND1 3.94Å; F172-H325 AromaticContact CE1-CE1 3.92Å; F172-H325 AromaticContact CE1-ND1 3.61Å
173	K	98.8	Very high	97.8	Very high	77 Å²	77	32.9 Å²	32.9	34%	0.335	16%	0.162	S	C	.	.	H	α-helix	trans	-58.6	-43.4	174.8	-71.6	-168	-60.9	165.8	0	112.2	E169 N170 A171 I175 F176 I177 R378 I379	E169-K173 PolarHBondContact O-N 3.07Å; N170-K173 PolarHBondContact O-N 3.46Å; N170-K173 WeakPolarHBondContact OD1-CE 3.44Å; N170-K173 PolarHBondContact OD1-NZ 3.44Å; A171-K173 VanDerWaalsContact C-N 3.35Å; A171-K173 PolarHBondContact O-N 2.8Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 2.93Å; K173-F176 PolarHBondContact O-N 3.24Å; K173-I177 WeakPolarHBondContact O-CB 3.43Å; K173-I177 WeakPolarHBondContact O-CD1 3.32Å; K173-I177 WeakPolarHBondContact O-CG1 3.42Å; K173-I177 PolarHBondContact O-N 2.81Å; K173-R378 PolarHBondContact NZ-O 2.93Å; K173-I379 HydrophobicContact CB-CD1 3.62Å
174	S	98.4	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-41.7	178.4	-55.4	0	0	0	0	111	N170 A171 F172 I177 W178 Y365	N170-S174 WeakPolarHBondContact O-CB 3.11Å; N170-S174 PolarHBondContact O-N 2.9Å; N170-S174 PolarHBondContact O-OG 3.41Å; A171-S174 WeakPolarHBondContact O-CB 3.28Å; A171-S174 PolarHBondContact O-N 2.79Å; A171-S174 VanDerWaalsContact O-N 3.07Å; F172-S174 VanDerWaalsContact C-N 3.32Å; F172-S174 PolarHBondContact O-N 3.02Å; S174-I177 PolarHBondContact O-N 2.97Å; S174-W178 VanDerWaalsContact O-CB 3.29Å; S174-W178 WeakPolarHBondContact O-CB 3.32Å; S174-W178 PolarHBondContact O-N 3.34Å; S174-Y365 PolarHBondContact OG-OH 2.9Å
175	I	98.8	Very high	96.8	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-48.8	174.1	-66.8	168.1	0	0	0	111.5	A171 F172 K173 I177 W178 Y179 I210 A289 A323 H325 I353 L371	A171-I175 VanDerWaalsContact O-CG1 3.32Å; A171-I175 WeakPolarHBondContact O-CG1 3.44Å; A171-I175 PolarHBondContact O-N 2.84Å; F172-I175 WeakPolarHBondContact O-CB 3.23Å; F172-I175 PolarHBondContact O-N 2.91Å; K173-I175 VanDerWaalsContact C-N 3.31Å; K173-I175 PolarHBondContact O-N 2.93Å; I175-I177 VanDerWaalsContact C-N 3.34Å; I175-I177 PolarHBondContact O-N 2.89Å; I175-W178 PolarHBondContact O-N 2.73Å; I175-Y179 WeakPolarHBondContact O-CB 3.33Å; I175-Y179 PolarHBondContact O-N 3.37Å; I175-I210 HydrophobicContact CD1-CD1 4.44Å; I175-I210 HydrophobicContact CG2-CD1 4.08Å; I175-A289 VanDerWaalsContact CG2-C 3.49Å; I175-A289 HydrophobicContact CG2-CB 3.83Å; I175-A289 VanDerWaalsContact CG2-O 3.28Å; I175-A289 WeakPolarHBondContact CG2-O 3.44Å; I175-A323 HydrophobicContact CB-CB 4.34Å; I175-A323 HydrophobicContact CD1-CB 4.07Å; I175-A323 HydrophobicContact CG1-CB 3.72Å; I175-A323 HydrophobicContact CG2-CB 3.84Å; I175-H325 HydrophobicContact CD1-CB 4.04Å; I175-I353 HydrophobicContact CD1-CD1 4.02Å; I175-I353 HydrophobicContact CG1-CD1 3.66Å; I175-L371 HydrophobicContact CG1-CD2 4.01Å
176	F	98.7	Very high	95.3	Very high	43 Å²	43	42 Å²	42	19%	0.189	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-40.5	179.6	-62.6	-40.6	0	0	0	112.2	F172 K173 Y179 R180 L208 I210 W243 A289	F172-F176 HydrophobicContact CB-CD2 4.44Å; F172-F176 HydrophobicContact CB-CE2 3.94Å; F172-F176 HydrophobicContact CB-CZ 4.44Å; F172-F176 WeakPolarHBondContact O-CD2 3.2Å; F172-F176 VanDerWaalsContact O-CG 3.23Å; F172-F176 WeakPolarHBondContact O-CG 3.47Å; F172-F176 PolarHBondContact O-N 3.49Å; K173-F176 PolarHBondContact O-N 3.24Å; F176-Y179 PolarHBondContact O-N 3.01Å; F176-R180 WeakPolarHBondContact O-CG 3.31Å; F176-R180 PolarHBondContact O-N 3.24Å; F176-L208 HydrophobicContact CB-CD1 4.03Å; F176-L208 HydrophobicContact CD1-CB 3.66Å; F176-L208 HydrophobicContact CD1-CD1 3.75Å; F176-L208 HydrophobicContact CD1-CG 4.35Å; F176-L208 HydrophobicContact CE1-CB 3.77Å; F176-L208 HydrophobicContact CG-CD1 4.26Å; F176-I210 HydrophobicContact CD1-CD1 4.4Å; F176-I210 HydrophobicContact CE1-CD1 3.61Å; F176-I210 HydrophobicContact CE1-CG1 3.73Å; F176-I210 HydrophobicContact CZ-CD1 3.87Å; F176-I210 HydrophobicContact CZ-CG1 3.53Å; F176-W243 HydrophobicContact CE2-CH2 4.31Å; F176-W243 HydrophobicContact CE2-CZ2 4.39Å; F176-W243 AromaticContact CZ-CH2 3.82Å; F176-W243 HydrophobicContact CZ-CH2 3.82Å; F176-W243 AromaticContact CZ-CZ2 3.74Å; F176-W243 HydrophobicContact CZ-CZ2 3.74Å; F176-A289 HydrophobicContact CD1-CB 3.77Å; F176-A289 HydrophobicContact CE1-CB 4.1Å
177	I	97.4	Very high	94.1	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-50.6	175.4	-70.9	170.6	0	0	0	110.4	K173 S174 I175 Y179 R180 N181 A373 R378 I379	K173-I177 WeakPolarHBondContact O-CB 3.43Å; K173-I177 WeakPolarHBondContact O-CD1 3.32Å; K173-I177 WeakPolarHBondContact O-CG1 3.42Å; K173-I177 PolarHBondContact O-N 2.81Å; S174-I177 PolarHBondContact O-N 2.97Å; I175-I177 VanDerWaalsContact C-N 3.34Å; I175-I177 PolarHBondContact O-N 2.89Å; I177-Y179 VanDerWaalsContact C-N 3.35Å; I177-Y179 PolarHBondContact O-N 3.19Å; I177-R180 PolarHBondContact O-N 3.19Å; I177-N181 WeakPolarHBondContact O-CB 3.43Å; I177-N181 PolarHBondContact O-N 2.94Å; I177-N181 PolarHBondContact O-OD1 2.83Å; I177-A373 HydrophobicContact CD1-CB 4.45Å; I177-R378 HydrophobicContact CD1-CB 3.92Å; I177-I379 HydrophobicContact CD1-CD1 4.27Å
178	W	97.1	Very high	93.5	Very high	33 Å²	33	52 Å²	52	13%	0.125	26%	0.258	C	S	.	.	H	α-helix	trans	-56.5	-48.4	177.2	165.8	79.3	0	0	0	111.6	S174 I175 R180 N181 K182 G321 A323 E370 L371	S174-W178 VanDerWaalsContact O-CB 3.29Å; S174-W178 WeakPolarHBondContact O-CB 3.32Å; S174-W178 PolarHBondContact O-N 3.34Å; I175-W178 PolarHBondContact O-N 2.73Å; W178-R180 PolarHBondContact O-N 3.45Å; W178-N181 PolarHBondContact O-N 3.28Å; W178-K182 HydrophobicContact CZ2-CD 4.5Å; W178-K182 PolarHBondContact O-N 3.46Å; W178-G321 WeakPolarHBondContact CH2-O 3.3Å; W178-A323 HydrophobicContact CE3-CB 4.25Å; W178-A323 HydrophobicContact CZ3-CB 3.97Å; W178-E370 VanDerWaalsContact CD1-O 3.27Å; W178-L371 HydrophobicContact CB-CD2 4.44Å; W178-L371 HydrophobicContact CB-CG 4.18Å; W178-L371 HydrophobicContact CD2-CD2 4.5Å; W178-L371 HydrophobicContact CD2-CG 4.32Å; W178-L371 HydrophobicContact CG-CD2 4.38Å; W178-L371 HydrophobicContact CG-CG 3.92Å
179	Y	97.8	Very high	93.2	Very high	20 Å²	20	54.4 Å²	54.4	8%	0.078	27%	0.274	C	S	.	.	H	α-helix	trans	-61.4	-46.1	-179.2	-166.7	-84	0	0	0	111.6	I175 F176 I177 N181 K182 E183 L208 P287 A289	I175-Y179 WeakPolarHBondContact O-CB 3.33Å; I175-Y179 PolarHBondContact O-N 3.37Å; F176-Y179 PolarHBondContact O-N 3.01Å; I177-Y179 VanDerWaalsContact C-N 3.35Å; I177-Y179 PolarHBondContact O-N 3.19Å; Y179-N181 PolarHBondContact O-N 3.18Å; Y179-K182 WeakPolarHBondContact O-CB 3.48Å; Y179-K182 PolarHBondContact O-N 3.34Å; Y179-E183 HydrophobicContact CD1-CG 4.26Å; Y179-E183 HydrophobicContact CE1-CG 4.04Å; Y179-E183 VanDerWaalsContact CE1-OE1 3.26Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.42Å; Y179-E183 PolarHBondContact O-N 3.4Å; Y179-L208 HydrophobicContact CD1-CD1 4.04Å; Y179-L208 HydrophobicContact CD1-CD2 3.8Å; Y179-L208 HydrophobicContact CE1-CD2 3.9Å; Y179-L208 HydrophobicContact CG-CD1 4.45Å; Y179-P287 HydrophobicContact CE1-CB 4.4Å; Y179-P287 HydrophobicContact CE1-CG 4.17Å; Y179-A289 HydrophobicContact CD1-CB 4.5Å; Y179-A289 HydrophobicContact CD2-CB 3.85Å; Y179-A289 HydrophobicContact CG-CB 3.84Å
180	R	96.7	Very high	93	Very high	47 Å²	47	54.7 Å²	54.7	18%	0.177	28%	0.281	C	S	.	.	H	α-helix	trans	-66.9	-35.9	176.3	-71.1	-60.7	-62.8	-149.9	-10.8	113.4	F176 I177 W178 K182 E183 R184 E193 P206 L208	F176-R180 WeakPolarHBondContact O-CG 3.31Å; F176-R180 PolarHBondContact O-N 3.24Å; I177-R180 PolarHBondContact O-N 3.19Å; W178-R180 PolarHBondContact O-N 3.45Å; R180-K182 VanDerWaalsContact C-N 3.29Å; R180-E183 WeakPolarHBondContact CD-OE2 3.49Å; R180-E183 IonicContact CZ-OE2 3.72Å; R180-E183 IonicContact NE-OE2 3.91Å; R180-E183 IonicContact NH1-OE2 2.83Å; R180-E183 PolarHBondContact O-N 3.26Å; R180-R184 WeakPolarHBondContact O-CB 3.49Å; R180-R184 WeakPolarHBondContact O-CG 3.42Å; R180-R184 PolarHBondContact O-N 3.35Å; R180-E193 IonicContact CZ-OE1 2.73Å; R180-E193 IonicContact NE-OE1 2.82Å; R180-E193 IonicContact NH2-OE1 3.96Å; R180-E193 PolarHBondContact NH2-OE1 3.45Å; R180-P206 HydrophobicContact CG-CB 4.47Å; R180-P206 HydrophobicContact CG-CG 4Å; R180-L208 HydrophobicContact CG-CD1 4.02Å
181	N	94.4	Very high	92.9	Very high	40 Å²	40	60.8 Å²	60.8	21%	0.214	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-36.8	175.7	-72.5	-5.4	0	0	0	110.9	I177 W178 Y179 R184 G185 D374	I177-N181 WeakPolarHBondContact O-CB 3.43Å; I177-N181 PolarHBondContact O-N 2.94Å; I177-N181 PolarHBondContact O-OD1 2.83Å; W178-N181 PolarHBondContact O-N 3.28Å; Y179-N181 PolarHBondContact O-N 3.18Å; N181-R184 PolarHBondContact O-N 3.26Å; N181-R184 PolarHBondContact OD1-NH1 3.07Å; N181-G185 PolarHBondContact O-N 3.18Å; N181-G185 VanDerWaalsContact O-N 3.07Å; N181-D374 PolarHBondContact ND2-OD1 2.83Å
182	K	94	Very high	92.8	Very high	127 Å²	127	66.7 Å²	66.7	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-63.3	-44.2	172.4	-174.5	-179.1	178.5	-179.5	0	112.1	W178 Y179 R180	W178-K182 HydrophobicContact CZ2-CD 4.5Å; W178-K182 PolarHBondContact O-N 3.46Å; Y179-K182 WeakPolarHBondContact O-CB 3.48Å; Y179-K182 PolarHBondContact O-N 3.34Å; R180-K182 VanDerWaalsContact C-N 3.29Å
183	E	94.3	Very high	92.8	Very high	103 Å²	103	67.4 Å²	67.4	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-65.3	-40.4	176.5	-71.8	-173.3	147.4	0	0	112.7	Y179 R180	Y179-E183 HydrophobicContact CD1-CG 4.26Å; Y179-E183 HydrophobicContact CE1-CG 4.04Å; Y179-E183 VanDerWaalsContact CE1-OE1 3.26Å; Y179-E183 WeakPolarHBondContact CE1-OE1 3.42Å; Y179-E183 PolarHBondContact O-N 3.4Å; R180-E183 WeakPolarHBondContact CD-OE2 3.49Å; R180-E183 IonicContact CZ-OE2 3.72Å; R180-E183 IonicContact NE-OE2 3.91Å; R180-E183 IonicContact NH1-OE2 2.83Å; R180-E183 PolarHBondContact O-N 3.26Å
184	R	93.2	Very high	92.7	Very high	42 Å²	42	68 Å²	68	16%	0.158	35%	0.346	C	S	.	.	H	α-helix	trans	-72.5	-26.5	-179.9	-74.9	-166	-117	91.7	4.8	113.7	R180 N181 N187 E193	R180-R184 WeakPolarHBondContact O-CB 3.49Å; R180-R184 WeakPolarHBondContact O-CG 3.42Å; R180-R184 PolarHBondContact O-N 3.35Å; N181-R184 PolarHBondContact O-N 3.26Å; N181-R184 PolarHBondContact OD1-NH1 3.07Å; R184-N187 WeakPolarHBondContact O-CB 3.3Å; R184-N187 PolarHBondContact O-ND2 3Å; R184-E193 WeakPolarHBondContact CD-OE2 3.48Å; R184-E193 IonicContact NE-OE1 3.98Å; R184-E193 PolarHBondContact NE-OE1 2.95Å; R184-E193 IonicContact NE-OE2 3.28Å; R184-E193 PolarHBondContact NE-OE2 3.02Å
185	G	82.5	Confident	92.7	Very high	40 Å²	40	72 Å²	72	41%	0.412	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	78.2	176.1	0	0	0	0	0	114.2	N181 N187	N181-G185 PolarHBondContact O-N 3.18Å; N181-G185 VanDerWaalsContact O-N 3.07Å; G185-N187 PolarHBondContact O-N 3.15Å; G185-N187 PolarHBondContact O-ND2 2.96Å
186	H	67.8	Low	92.7	Very high	206 Å²	206	72.8 Å²	72.8	95%	0.954	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	-2.9	-178	-63.2	-66.6	0	0	0	117.3
187	N	73	Confident	92.6	Very high	116 Å²	116	73 Å²	73	62%	0.62	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-74.2	145.3	175.3	-64.9	-48	0	0	0	111.6	R184 G185	R184-N187 WeakPolarHBondContact O-CB 3.3Å; R184-N187 PolarHBondContact O-ND2 3Å; G185-N187 PolarHBondContact O-N 3.15Å; G185-N187 PolarHBondContact O-ND2 2.96Å
188	T	86	Confident	92.7	Very high	122 Å²	122	79.6 Å²	79.6	75%	0.748	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-66.5	152.9	168.7	50.6	0	0	0	0	110.6
189	P	92.8	Very high	92.7	Very high	53 Å²	53	82.1 Å²	82.1	34%	0.344	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-53.9	144.8	171.9	-24.6	34.4	0	0	0	112.1	E193 L194	P189-E193 WeakPolarHBondContact CA-OE2 3.27Å; P189-L194 HydrophobicContact CB-CD2 4.08Å; P189-L194 HydrophobicContact CB-CG 4.32Å
190	S	94.4	Very high	92.8	Very high	52 Å²	52	88 Å²	88	36%	0.364	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-75.2	158.1	177.5	76.7	0	0	0	0	111.8	E192 E193 L194	S190-E192 PolarHBondContact O-N 2.73Å; S190-E193 PolarHBondContact N-OE2 3.38Å; S190-E193 WeakPolarHBondContact O-CB 3.18Å; S190-E193 PolarHBondContact O-N 2.9Å; S190-E193 VanDerWaalsContact O-N 3.1Å; S190-E193 WeakPolarHBondContact OG-CG 3.45Å; S190-E193 PolarHBondContact OG-N 3.35Å; S190-E193 VanDerWaalsContact OG-N 3.08Å; S190-L194 WeakPolarHBondContact O-CG 3.47Å; S190-L194 PolarHBondContact O-N 3.35Å
191	E	97	Very high	92.9	Very high	139 Å²	139	91.2 Å²	91.2	65%	0.65	48%	0.483	S	S	*	.	H	α-helix	trans	-58.8	-34.4	175.2	-169.3	60.5	-154.2	0	0	112.2	L194 T195	E191-L194 PolarHBondContact O-N 3.44Å; E191-T195 WeakPolarHBondContact O-CB 3.49Å; E191-T195 PolarHBondContact O-N 2.73Å; E191-T195 PolarHBondContact O-OG1 2.78Å
192	E	97.7	Very high	93	Very high	124 Å²	124	92.7 Å²	92.7	58%	0.579	50%	0.501	S	S	*	.	H	α-helix	trans	-66	-44.7	174.9	-169.2	-173.1	-178.9	0	0	111.3	S190 L194 T195 T196 P203	S190-E192 PolarHBondContact O-N 2.73Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.36Å; E192-T195 PolarHBondContact O-N 2.99Å; E192-T196 HydrophobicContact CG-CG2 4.16Å; E192-T196 WeakPolarHBondContact O-CB 3.48Å; E192-T196 VanDerWaalsContact O-CG2 3.31Å; E192-T196 WeakPolarHBondContact O-CG2 3.13Å; E192-T196 PolarHBondContact O-N 3.24Å; E192-T196 PolarHBondContact O-OG1 3.35Å; E192-P203 HydrophobicContact CB-CG 4.42Å; E192-P203 HydrophobicContact CG-CG 3.95Å
193	E	97.1	Very high	93.1	Very high	18 Å²	18	88.3 Å²	88.3	8%	0.084	49%	0.485	C	S	.	.	H	α-helix	trans	-59.9	-43.7	174.2	-75.3	178.4	127.6	0	0	111.2	R180 R184 P189 S190 C197 P203 G204	R180-E193 IonicContact CZ-OE1 2.73Å; R180-E193 IonicContact NE-OE1 2.82Å; R180-E193 IonicContact NH2-OE1 3.96Å; R180-E193 PolarHBondContact NH2-OE1 3.45Å; R184-E193 WeakPolarHBondContact CD-OE2 3.48Å; R184-E193 IonicContact NE-OE1 3.98Å; R184-E193 PolarHBondContact NE-OE1 2.95Å; R184-E193 IonicContact NE-OE2 3.28Å; R184-E193 PolarHBondContact NE-OE2 3.02Å; P189-E193 WeakPolarHBondContact CA-OE2 3.27Å; S190-E193 PolarHBondContact N-OE2 3.38Å; S190-E193 WeakPolarHBondContact O-CB 3.18Å; S190-E193 PolarHBondContact O-N 2.9Å; S190-E193 VanDerWaalsContact O-N 3.1Å; S190-E193 WeakPolarHBondContact OG-CG 3.45Å; S190-E193 PolarHBondContact OG-N 3.35Å; S190-E193 VanDerWaalsContact OG-N 3.08Å; E193-C197 WeakPolarHBondContact O-CB 3.31Å; E193-C197 PolarHBondContact O-N 3.34Å; E193-C197 VanDerWaalsContact O-N 3.12Å; E193-C197 PolarHBondContact O-SG 2.89Å; E193-P203 HydrophobicContact CG-CB 4.1Å; E193-P203 HydrophobicContact CG-CG 3.91Å; E193-G204 WeakPolarHBondContact O-CA 3.34Å
194	L	97.2	Very high	93.3	Very high	88 Å²	88	84.4 Å²	84.4	46%	0.461	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-39.7	179.3	-66.4	175.4	0	0	0	112.3	P189 S190 E191 E192 C197	P189-L194 HydrophobicContact CB-CD2 4.08Å; P189-L194 HydrophobicContact CB-CG 4.32Å; S190-L194 WeakPolarHBondContact O-CG 3.47Å; S190-L194 PolarHBondContact O-N 3.35Å; E191-L194 PolarHBondContact O-N 3.44Å; E192-L194 VanDerWaalsContact C-N 3.33Å; E192-L194 PolarHBondContact O-N 3.36Å; L194-C197 PolarHBondContact O-SG 3.24Å
195	T	98.3	Very high	93.5	Very high	84 Å²	84	84.7 Å²	84.7	52%	0.515	48%	0.481	S	S	.	.	H	α-helix	trans	-76.5	-47.2	-178.7	-58.5	0	0	0	0	111.5	E191 E192 C197 M198	E191-T195 WeakPolarHBondContact O-CB 3.49Å; E191-T195 PolarHBondContact O-N 2.73Å; E191-T195 PolarHBondContact O-OG1 2.78Å; E192-T195 PolarHBondContact O-N 2.99Å; T195-C197 PolarHBondContact O-N 3.41Å; T195-M198 PolarHBondContact O-N 3.04Å
196	T	98.6	Very high	94.2	Very high	19 Å²	19	85.1 Å²	85.1	12%	0.117	48%	0.476	C	S	.	.	H	α-helix	trans	-72.3	-27.6	-174.7	55.2	0	0	0	0	113.1	E192 M198 T199 N200 Q201 P203 G204	E192-T196 HydrophobicContact CG-CG2 4.16Å; E192-T196 WeakPolarHBondContact O-CB 3.48Å; E192-T196 VanDerWaalsContact O-CG2 3.31Å; E192-T196 WeakPolarHBondContact O-CG2 3.13Å; E192-T196 PolarHBondContact O-N 3.24Å; E192-T196 PolarHBondContact O-OG1 3.35Å; T196-M198 PolarHBondContact O-N 3.27Å; T196-T199 PolarHBondContact O-N 2.88Å; T196-T199 PolarHBondContact O-OG1 3.26Å; T196-N200 PolarHBondContact O-N 3.44Å; T196-Q201 CarbonylContact C-O 3.49Å; T196-Q201 PolarHBondContact O-N 3.4Å; T196-P203 WeakPolarHBondContact OG1-CD 3.37Å; T196-G204 WeakPolarHBondContact OG1-CA 3.38Å; T196-G204 PolarHBondContact OG1-N 3.45Å
197	C	98.1	Very high	95.7	Very high	46 Å²	46	79.6 Å²	79.6	31%	0.311	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-64.5	-28.2	177	74.7	0	0	0	0	112.8	E193 L194 T195 T199 N200	E193-C197 WeakPolarHBondContact O-CB 3.31Å; E193-C197 PolarHBondContact O-N 3.34Å; E193-C197 VanDerWaalsContact O-N 3.12Å; E193-C197 PolarHBondContact O-SG 2.89Å; L194-C197 PolarHBondContact O-SG 3.24Å; T195-C197 PolarHBondContact O-N 3.41Å; C197-T199 PolarHBondContact O-N 3.18Å; C197-N200 PolarHBondContact O-N 3.48Å
198	M	98.4	Very high	96.9	Very high	153 Å²	153	74.5 Å²	74.5	75%	0.754	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-72.8	-14	-179.3	-65.4	-54.8	-59.3	0	0	113.1	T195 T196	T195-M198 PolarHBondContact O-N 3.04Å; T196-M198 PolarHBondContact O-N 3.27Å
199	T	98.2	Very high	97.5	Very high	85 Å²	85	68.7 Å²	68.7	52%	0.521	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-120.7	17.6	-179.6	57.8	0	0	0	0	112.7	T196 C197 Q201	T196-T199 PolarHBondContact O-N 2.88Å; T196-T199 PolarHBondContact O-OG1 3.26Å; C197-T199 PolarHBondContact O-N 3.18Å; T199-Q201 VanDerWaalsContact C-N 3.33Å; T199-Q201 PolarHBondContact O-N 3.24Å
200	N	98.4	Very high	97.8	Very high	143 Å²	143	66.2 Å²	66.2	77%	0.765	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	32.3	179	-52.8	-26.8	0	0	0	114.2	T196 C197	T196-N200 PolarHBondContact O-N 3.44Å; C197-N200 PolarHBondContact O-N 3.48Å
201	Q	98.6	Very high	98	Very high	116 Å²	116	63.7 Å²	63.7	54%	0.542	36%	0.357	S	S	.	.			trans	-113.6	154.8	-177.9	-66.5	179.9	8	0	0	112.2	T196 T199 G204 C205	T196-Q201 CarbonylContact C-O 3.49Å; T196-Q201 PolarHBondContact O-N 3.4Å; T199-Q201 VanDerWaalsContact C-N 3.33Å; T199-Q201 PolarHBondContact O-N 3.24Å; Q201-G204 PolarHBondContact O-N 3.03Å; Q201-C205 PolarHBondContact O-N 3.4Å
202	A	97.6	Very high	98.1	Very high	70 Å²	70	57.1 Å²	57.1	58%	0.579	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	152.5	168	0	0	0	0	0	110.5
203	P	96.6	Very high	98.2	Very high	35 Å²	35	51.2 Å²	51.2	23%	0.227	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	cis	-82.6	-8.2	0.8	33.2	-35.9	0	0	0	114.8	E192 E193 T196 C205	E192-P203 HydrophobicContact CB-CG 4.42Å; E192-P203 HydrophobicContact CG-CG 3.95Å; E193-P203 HydrophobicContact CG-CB 4.1Å; E193-P203 HydrophobicContact CG-CG 3.91Å; T196-P203 WeakPolarHBondContact OG1-CD 3.37Å; P203-C205 PolarHBondContact O-N 3.02Å
204	G	97.4	Very high	98.2	Very high	22 Å²	22	55.5 Å²	55.5	23%	0.227	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.3	-177.2	0	0	0	0	0	114.4	E193 T196 Q201 P206	E193-G204 WeakPolarHBondContact O-CA 3.34Å; T196-G204 WeakPolarHBondContact OG1-CA 3.38Å; T196-G204 PolarHBondContact OG1-N 3.45Å; Q201-G204 PolarHBondContact O-N 3.03Å; G204-P206 WeakPolarHBondContact O-CD 3.48Å
205	C	98.3	Very high	98.3	Very high	47 Å²	47	51.8 Å²	51.8	32%	0.318	30%	0.303	S	S	.	.	S	Bend	trans	-104.2	97.8	167.8	-65.1	0	0	0	0	109	Q201 P203	Q201-C205 PolarHBondContact O-N 3.4Å; P203-C205 PolarHBondContact O-N 3.02Å
206	P	97.8	Very high	98.3	Very high	49 Å²	49	47.8 Å²	47.8	32%	0.318	28%	0.278	S	S	.	.			trans	-76.8	149.2	-175.5	35.3	-38.9	0	0	0	111.1	R180 G204 L208	R180-P206 HydrophobicContact CG-CB 4.47Å; R180-P206 HydrophobicContact CG-CG 4Å; G204-P206 WeakPolarHBondContact O-CD 3.48Å; P206-L208 HydrophobicContact CB-CD1 4.43Å; P206-L208 HydrophobicContact CB-CG 3.94Å; P206-L208 HydrophobicContact CG-CD1 4Å; P206-L208 HydrophobicContact CG-CG 3.93Å; P206-L208 PolarHBondContact O-N 3.23Å
207	D	97.9	Very high	98.3	Very high	90 Å²	90	48.5 Å²	48.5	48%	0.481	28%	0.28	S	S	.	.			trans	-84.1	50.9	177.4	-158.2	3.9	0	0	0	111.2	K286	D207-K286 HydrophobicContact CB-CG 4.37Å; D207-K286 WeakPolarHBondContact O-CA 3.46Å; D207-K286 WeakPolarHBondContact OD2-CE 3.38Å; D207-K286 WeakPolarHBondContact OD2-CG 3.44Å
208	L	98.6	Very high	98.3	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	27%	0.266	C	S	.	.			trans	-76	157.9	177.3	-59.6	-179.2	0	0	0	111	F176 Y179 R180 P206 W243 P287 A289	F176-L208 HydrophobicContact CB-CD1 4.03Å; F176-L208 HydrophobicContact CD1-CB 3.66Å; F176-L208 HydrophobicContact CD1-CD1 3.75Å; F176-L208 HydrophobicContact CD1-CG 4.35Å; F176-L208 HydrophobicContact CE1-CB 3.77Å; F176-L208 HydrophobicContact CG-CD1 4.26Å; Y179-L208 HydrophobicContact CD1-CD1 4.04Å; Y179-L208 HydrophobicContact CD1-CD2 3.8Å; Y179-L208 HydrophobicContact CE1-CD2 3.9Å; Y179-L208 HydrophobicContact CG-CD1 4.45Å; R180-L208 HydrophobicContact CG-CD1 4.02Å; P206-L208 HydrophobicContact CB-CD1 4.43Å; P206-L208 HydrophobicContact CB-CG 3.94Å; P206-L208 HydrophobicContact CG-CD1 4Å; P206-L208 HydrophobicContact CG-CG 3.93Å; P206-L208 PolarHBondContact O-N 3.23Å; L208-W243 PolarHBondContact O-NE1 3.05Å; L208-P287 HydrophobicContact CD2-CG 3.62Å; L208-A289 HydrophobicContact CB-CB 4.29Å; L208-A289 HydrophobicContact CD1-CB 4.16Å
209	S	98.9	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.7	176.8	63.8	0	0	0	0	114.1	K286 P287 V288 A289	S209-K286 PolarHBondContact OG-O 2.68Å; S209-P287 PolarHBondContact N-O 3.48Å; S209-P287 PolarHBondContact OG-O 3.5Å; S209-V288 CarbonylContact O-C 3.54Å; S209-V288 WeakPolarHBondContact O-CA 3.29Å; S209-V288 WeakPolarHBondContact OG-CA 3.34Å; S209-A289 PolarHBondContact O-N 2.95Å
210	I	98.9	Very high	98.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.6	166.8	-60.4	-63.8	0	0	0	107.8	F172 I175 F176 T227 W243 G290 I292	F172-I210 HydrophobicContact CB-CG1 4.48Å; F172-I210 HydrophobicContact CD1-CD1 4.25Å; F172-I210 HydrophobicContact CD1-CG1 4.03Å; F172-I210 HydrophobicContact CD1-CG2 4.35Å; F172-I210 HydrophobicContact CE1-CG2 4.1Å; F172-I210 HydrophobicContact CG-CG1 4.28Å; I175-I210 HydrophobicContact CD1-CD1 4.44Å; I175-I210 HydrophobicContact CG2-CD1 4.08Å; F176-I210 HydrophobicContact CD1-CD1 4.4Å; F176-I210 HydrophobicContact CE1-CD1 3.61Å; F176-I210 HydrophobicContact CE1-CG1 3.73Å; F176-I210 HydrophobicContact CZ-CD1 3.87Å; F176-I210 HydrophobicContact CZ-CG1 3.53Å; I210-T227 HydrophobicContact CB-CG2 4.13Å; I210-T227 HydrophobicContact CG2-CG2 3.84Å; I210-W243 HydrophobicContact CB-CD2 4.48Å; I210-W243 HydrophobicContact CB-CE3 3.84Å; I210-W243 HydrophobicContact CB-CH2 4.47Å; I210-W243 HydrophobicContact CB-CZ3 3.84Å; I210-W243 HydrophobicContact CG1-CE3 4.41Å; I210-W243 HydrophobicContact CG1-CH2 4.16Å; I210-W243 HydrophobicContact CG1-CZ3 3.99Å; I210-G290 WeakPolarHBondContact CA-O 3.3Å; I210-I292 HydrophobicContact CG2-CB 4.2Å; I210-I292 HydrophobicContact CG2-CG2 3.72Å
211	L	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	133.2	172.5	-174.4	149.9	0	0	0	109.3	F213 P244 A246 V274 L277 I278 V288 G290 I291 I292	L211-F213 HydrophobicContact CD2-CD2 4.49Å; L211-F213 HydrophobicContact CD2-CE2 3.86Å; L211-F213 HydrophobicContact CD2-CZ 3.96Å; L211-P244 HydrophobicContact CB-CB 4.25Å; L211-P244 HydrophobicContact CB-CG 3.95Å; L211-P244 HydrophobicContact CD1-CB 4.02Å; L211-P244 HydrophobicContact CD1-CG 4.33Å; L211-P244 HydrophobicContact CG-CB 4.02Å; L211-P244 HydrophobicContact CG-CG 4.27Å; L211-A246 HydrophobicContact CD2-CB 4.09Å; L211-V274 HydrophobicContact CD1-CG1 4.16Å; L211-V274 HydrophobicContact CD2-CG1 4.43Å; L211-L277 HydrophobicContact CD1-CB 4.04Å; L211-L277 HydrophobicContact CD1-CD1 4.43Å; L211-I278 HydrophobicContact CD1-CG1 4.03Å; L211-V288 HydrophobicContact CB-CG1 3.73Å; L211-G290 PolarHBondContact N-O 2.9Å; L211-I291 HydrophobicContact CB-CG1 4.12Å; L211-I291 HydrophobicContact CD2-CG1 4.35Å; L211-I291 HydrophobicContact CD2-CG2 3.91Å; L211-I291 WeakPolarHBondContact O-CA 3.37Å; L211-I292 PolarHBondContact O-N 3Å
212	S	98.9	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	175.5	178.8	54.7	0	0	0	0	110.8	T227 H229 P244 V245 A246	S212-T227 WeakPolarHBondContact CB-O 3.41Å; S212-H229 PolarHBondContact OG-NE2 3.21Å; S212-P244 PolarHBondContact N-O 2.91Å; S212-P244 VanDerWaalsContact N-O 3.1Å; S212-V245 CarbonylContact O-C 3.55Å; S212-V245 WeakPolarHBondContact O-CA 3.29Å; S212-A246 PolarHBondContact O-N 3.36Å
213	F	98.8	Very high	98.4	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.5	-174	-67.6	-96.7	0	0	0	112.3	L211 G215 G216 H229 A246 P247 F248 V274 I291 I292 I293 F309 L313	L211-F213 HydrophobicContact CD2-CD2 4.49Å; L211-F213 HydrophobicContact CD2-CE2 3.86Å; L211-F213 HydrophobicContact CD2-CZ 3.96Å; F213-G215 PolarHBondContact O-N 3.05Å; F213-G216 PolarHBondContact O-N 2.95Å; F213-H229 PolarHBondContact O-CD2 3.42Å; F213-A246 CarbonylContact C-O 3.29Å; F213-A246 VanDerWaalsContact CA-O 3.26Å; F213-A246 WeakPolarHBondContact CA-O 3.33Å; F213-A246 HydrophobicContact CD1-CB 3.87Å; F213-A246 HydrophobicContact CE1-CB 3.8Å; F213-A246 HydrophobicContact CZ-CB 4.45Å; F213-P247 WeakPolarHBondContact CD1-O 3.09Å; F213-F248 HydrophobicContact CB-CB 4.23Å; F213-F248 HydrophobicContact CB-CD2 4.43Å; F213-F248 HydrophobicContact CD1-CB 4.46Å; F213-F248 HydrophobicContact CD1-CD2 4.39Å; F213-F248 HydrophobicContact CG-CD2 4.49Å; F213-V274 HydrophobicContact CE1-CG2 3.83Å; F213-V274 HydrophobicContact CZ-CG2 3.97Å; F213-I291 HydrophobicContact CE2-CG2 3.75Å; F213-I291 HydrophobicContact CZ-CG2 4.28Å; F213-I292 WeakPolarHBondContact CD2-O 3.41Å; F213-I293 HydrophobicContact CD1-CD1 4.49Å; F213-I293 HydrophobicContact CD2-CB 4.1Å; F213-I293 HydrophobicContact CD2-CD1 3.85Å; F213-I293 HydrophobicContact CD2-CG1 3.94Å; F213-I293 HydrophobicContact CE1-CD1 4.3Å; F213-I293 HydrophobicContact CE2-CB 4Å; F213-I293 HydrophobicContact CE2-CD1 3.64Å; F213-I293 HydrophobicContact CE2-CG1 4.06Å; F213-I293 HydrophobicContact CG-CD1 4.29Å; F213-I293 HydrophobicContact CZ-CD1 3.89Å; F213-F309 HydrophobicContact CE1-CZ 4.3Å; F213-L313 HydrophobicContact CE1-CD2 4.48Å; F213-L313 HydrophobicContact CE2-CD2 4.05Å; F213-L313 HydrophobicContact CZ-CD1 3.95Å; F213-L313 HydrophobicContact CZ-CD2 3.6Å; F213-L313 HydrophobicContact CZ-CG 4.44Å
214	M	98.5	Very high	98.6	Very high	108 Å²	108	33 Å²	33	53%	0.532	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	137.1	169.4	-175	55	64.9	0	0	109.8	G216 H229 V245 A246 Q297	M214-G216 VanDerWaalsContact C-N 3.27Å; M214-G216 PolarHBondContact O-N 2.83Å; M214-H229 HydrophobicContact CE-CB 4.43Å; M214-H229 HydrophobicContact SD-CB 3.86Å; M214-V245 HydrophobicContact CB-CG1 4.46Å; M214-V245 HydrophobicContact CE-CG1 4.27Å; M214-A246 PolarHBondContact N-O 3.18Å; M214-Q297 PolarHBondContact O-NE2 3.1Å; M214-Q297 PolarHBondContact O-OE1 3.24Å
215	G	98.1	Very high	98.6	Very high	9 Å²	9	32.2 Å²	32.2	9%	0.093	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-13.6	-172.3	0	0	0	0	0	115	F213 H229 G300	F213-G215 PolarHBondContact O-N 3.05Å; G215-H229 WeakPolarHBondContact CA-O 3.14Å; G215-H229 PolarHBondContact N-O 2.85Å; G215-H229 VanDerWaalsContact N-O 3.07Å; G215-G300 WeakPolarHBondContact O-CA 3.45Å; G215-G300 PolarHBondContact O-N 3.18Å
216	G	98.3	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.156	C	C	.	.			trans	-66.8	152.5	-177.6	0	0	0	0	0	113.7	F213 M214 T228 H229 S230 E294 Q297	F213-G216 PolarHBondContact O-N 2.95Å; M214-G216 VanDerWaalsContact C-N 3.27Å; M214-G216 PolarHBondContact O-N 2.83Å; G216-T228 CarbonylContact O-C 3.6Å; G216-T228 WeakPolarHBondContact O-CA 3.45Å; G216-H229 PolarHBondContact O-N 2.82Å; G216-S230 PolarHBondContact O-N 3.47Å; G216-E294 VanDerWaalsContact CA-OE2 3.3Å; G216-E294 WeakPolarHBondContact CA-OE2 3.34Å; G216-Q297 VanDerWaalsContact N-NE2 3.19Å
217	F	98.9	Very high	98.7	Very high	34 Å²	34	27.8 Å²	27.8	15%	0.149	14%	0.141	C	C	.	.			trans	-138.7	111.2	173	-176	-84.3	0	0	0	111.8	R220 T228 S230 H234 E294 E299	F217-R220 HydrophobicContact CE2-CG 4.32Å; F217-R220 HydrophobicContact CZ-CG 4.05Å; F217-T228 HydrophobicContact CB-CG2 4.38Å; F217-T228 HydrophobicContact CD2-CG2 3.58Å; F217-T228 HydrophobicContact CE2-CG2 4.21Å; F217-T228 HydrophobicContact CG-CG2 4.24Å; F217-S230 WeakPolarHBondContact CD2-OG 3.38Å; F217-H234 AromaticContact CE2-ND1 3.76Å; F217-E294 PolarHBondContact N-OE2 3.01Å; F217-E299 HydrophobicContact CB-CB 3.7Å; F217-E299 HydrophobicContact CB-CG 3.83Å; F217-E299 HydrophobicContact CD1-CG 3.76Å; F217-E299 HydrophobicContact CD2-CB 4.05Å; F217-E299 HydrophobicContact CD2-CG 3.86Å; F217-E299 HydrophobicContact CE1-CG 4.3Å; F217-E299 HydrophobicContact CE2-CG 4.37Å; F217-E299 HydrophobicContact CG-CB 3.86Å; F217-E299 HydrophobicContact CG-CG 3.53Å
218	H	98.9	Very high	98.7	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.023	12%	0.118	C	C	.	.			trans	-119.8	4	-172.8	-58.2	-55.5	0	0	0	113.5	N168 C224 T227 T228 I292 E294 D327	N168-H218 PolarHBondContact ND2-O 3.26Å; H218-C224 WeakPolarHBondContact O-CB 3.47Å; H218-C224 PolarHBondContact O-SG 3.04Å; H218-C224 VanDerWaalsContact O-SG 3.41Å; H218-T227 PolarHBondContact CD2-O 2.98Å; H218-T227 VanDerWaalsContact CD2-O 3.26Å; H218-T228 PolarHBondContact N-OG1 2.95Å; H218-I292 HydrophobicContact CB-CD1 3.83Å; H218-I292 WeakPolarHBondContact ND1-CD1 3.36Å; H218-E294 IonicContact CE1-OE2 2.84Å; H218-D327 IonicContact CE1-OD2 3.68Å; H218-D327 IonicContact CG-OD2 2.72Å; H218-D327 IonicContact ND1-OD2 3.57Å; H218-D327 PolarHBondContact ND1-OD2 3.36Å
219	G	98.6	Very high	98.7	Very high	5 Å²	5	24.3 Å²	24.3	5%	0.052	12%	0.121	C	C	.	.			trans	130.8	-170.9	177.6	0	0	0	0	0	112.5	T228	G219-T228 PolarHBondContact N-OG1 3.25Å; G219-T228 PolarHBondContact O-OG1 2.97Å; G219-T228 VanDerWaalsContact O-OG1 3.12Å
220	R	98.8	Very high	98.7	Very high	148 Å²	148	25.1 Å²	25.1	56%	0.558	13%	0.127	S	C	*	.	S	Bend	trans	-130.5	0.2	-172.9	-59.2	-172.9	-175.4	-154.1	-0.5	114.9	F217 H234	F217-R220 HydrophobicContact CE2-CG 4.32Å; F217-R220 HydrophobicContact CZ-CG 4.05Å; R220-H234 PolarHBondContact NH2-NE2 2.81Å
221	T	98.9	Very high	98.6	Very high	60 Å²	60	28.3 Å²	28.3	37%	0.368	14%	0.14	S	C	.	.	S	Bend	trans	-71.2	156.9	164.8	48.6	0	0	0	0	109.3	E169 G223 C224 L225	E169-T221 VanDerWaalsContact CG-OG1 3.28Å; E169-T221 WeakPolarHBondContact CG-OG1 3.48Å; E169-T221 WeakPolarHBondContact OE1-CB 3.4Å; E169-T221 PolarHBondContact OE1-OG1 2.87Å; T221-G223 VanDerWaalsContact C-N 3.34Å; T221-G223 PolarHBondContact O-N 3.33Å; T221-C224 CarbonylContact O-C 3.37Å; T221-C224 PolarHBondContact O-N 3.33Å; T221-C224 VanDerWaalsContact O-N 3.13Å; T221-L225 VanDerWaalsContact O-CB 3.26Å; T221-L225 WeakPolarHBondContact O-CB 3.01Å; T221-L225 PolarHBondContact O-N 3.11Å
222	L	98.7	Very high	98.5	Very high	98 Å²	98	33.8 Å²	33.8	51%	0.513	17%	0.174	S	C	.	.	H	α-helix	trans	-55.3	-41.3	-166	-66	176.3	0	0	0	114.7	L225 A226 V238	L222-L225 PolarHBondContact O-N 3.33Å; L222-A226 PolarHBondContact O-N 3.29Å; L222-A226 VanDerWaalsContact O-N 3.13Å; L222-V238 HydrophobicContact CD2-CG1 3.44Å; L222-V238 VanDerWaalsContact CD2-CG1 3.44Å
223	G	98.7	Very high	98.5	Very high	6 Å²	6	40.3 Å²	40.3	6%	0.062	21%	0.207	C	C	.	.	H	α-helix	trans	-69.8	-46.3	177.6	0	0	0	0	0	112.1	E169 T221 L225 A226 T227	E169-G223 VanDerWaalsContact OE1-CA 3.3Å; E169-G223 WeakPolarHBondContact OE1-CA 3.38Å; E169-G223 PolarHBondContact OE1-N 3.45Å; T221-G223 VanDerWaalsContact C-N 3.34Å; T221-G223 PolarHBondContact O-N 3.33Å; G223-L225 VanDerWaalsContact C-N 3.26Å; G223-L225 PolarHBondContact O-N 3.01Å; G223-A226 PolarHBondContact O-N 2.86Å; G223-T227 PolarHBondContact O-N 3.49Å
224	C	98.9	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-31.7	173.2	-70.2	0	0	0	0	113.4	S165 N168 E169 H218 T221 T227 T228	S165-C224 PolarHBondContact O-SG 3.16Å; N168-C224 WeakPolarHBondContact CB-SG 3.37Å; E169-C224 PolarHBondContact OE1-N 3.26Å; H218-C224 WeakPolarHBondContact O-CB 3.47Å; H218-C224 PolarHBondContact O-SG 3.04Å; H218-C224 VanDerWaalsContact O-SG 3.41Å; T221-C224 CarbonylContact O-C 3.37Å; T221-C224 PolarHBondContact O-N 3.33Å; T221-C224 VanDerWaalsContact O-N 3.13Å; C224-T227 PolarHBondContact O-N 3.18Å; C224-T227 PolarHBondContact O-OG1 2.59Å; C224-T228 WeakPolarHBondContact O-CB 3.3Å; C224-T228 PolarHBondContact O-N 2.9Å; C224-T228 PolarHBondContact O-OG1 3.23Å
225	L	98.9	Very high	98.4	Very high	6 Å²	6	39 Å²	39	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-75.1	-31.1	-179.7	-170.5	65.2	0	0	0	111.4	T221 L222 G223 T227 T228 H234 K235 V238	T221-L225 VanDerWaalsContact O-CB 3.26Å; T221-L225 WeakPolarHBondContact O-CB 3.01Å; T221-L225 PolarHBondContact O-N 3.11Å; L222-L225 PolarHBondContact O-N 3.33Å; G223-L225 VanDerWaalsContact C-N 3.26Å; G223-L225 PolarHBondContact O-N 3.01Å; L225-T227 VanDerWaalsContact C-N 3.27Å; L225-T227 PolarHBondContact O-N 3.38Å; L225-T228 HydrophobicContact CD1-CG2 4.46Å; L225-T228 PolarHBondContact O-N 3.44Å; L225-H234 VanDerWaalsContact CD1-O 3.29Å; L225-H234 WeakPolarHBondContact CD1-O 3.13Å; L225-K235 HydrophobicContact CD1-CG 4.25Å; L225-K235 WeakPolarHBondContact O-CE 3.4Å; L225-K235 PolarHBondContact O-NZ 3.38Å; L225-V238 HydrophobicContact CD2-CB 3.74Å; L225-V238 HydrophobicContact CD2-CG1 3.55Å; L225-V238 HydrophobicContact CD2-CG2 4Å
226	A	98.8	Very high	98.4	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-31.8	172.3	0	0	0	0	0	112.7	L222 G223 H229 S240 F241 W243	L222-A226 PolarHBondContact O-N 3.29Å; L222-A226 VanDerWaalsContact O-N 3.13Å; G223-A226 PolarHBondContact O-N 2.86Å; A226-H229 PolarHBondContact O-CE1 2.89Å; A226-H229 PolarHBondContact O-NE2 3.32Å; A226-S240 WeakPolarHBondContact CA-OG 3.11Å; A226-F241 HydrophobicContact CB-CB 4.04Å; A226-F241 HydrophobicContact CB-CD2 3.71Å; A226-F241 HydrophobicContact CB-CG 4.37Å; A226-W243 HydrophobicContact CB-CE3 4.11Å; A226-W243 HydrophobicContact CB-CZ3 4.29Å
227	T	98.9	Very high	98.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-89.8	-9.7	175.4	56.2	0	0	0	0	113.9	F172 I210 S212 H218 G223 C224 L225 H229 W243 I292	F172-T227 HydrophobicContact CE2-CG2 4.42Å; F172-T227 HydrophobicContact CZ-CG2 4.06Å; I210-T227 HydrophobicContact CB-CG2 4.13Å; I210-T227 HydrophobicContact CG2-CG2 3.84Å; S212-T227 WeakPolarHBondContact CB-O 3.41Å; H218-T227 PolarHBondContact CD2-O 2.98Å; H218-T227 VanDerWaalsContact CD2-O 3.26Å; G223-T227 PolarHBondContact O-N 3.49Å; C224-T227 PolarHBondContact O-N 3.18Å; C224-T227 PolarHBondContact O-OG1 2.59Å; L225-T227 VanDerWaalsContact C-N 3.27Å; L225-T227 PolarHBondContact O-N 3.38Å; T227-H229 PolarHBondContact O-CD2 2.61Å; T227-H229 VanDerWaalsContact O-CD2 3.24Å; T227-H229 PolarHBondContact O-NE2 3.05Å; T227-W243 HydrophobicContact CG2-CE3 3.84Å; T227-W243 HydrophobicContact CG2-CZ3 3.83Å; T227-I292 HydrophobicContact CG2-CG2 3.99Å
228	T	98.9	Very high	98.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.			trans	-86.2	133.3	174.6	-67.7	0	0	0	0	110.7	G216 F217 H218 G219 C224 L225 K235	G216-T228 CarbonylContact O-C 3.6Å; G216-T228 WeakPolarHBondContact O-CA 3.45Å; F217-T228 HydrophobicContact CB-CG2 4.38Å; F217-T228 HydrophobicContact CD2-CG2 3.58Å; F217-T228 HydrophobicContact CE2-CG2 4.21Å; F217-T228 HydrophobicContact CG-CG2 4.24Å; H218-T228 PolarHBondContact N-OG1 2.95Å; G219-T228 PolarHBondContact N-OG1 3.25Å; G219-T228 PolarHBondContact O-OG1 2.97Å; G219-T228 VanDerWaalsContact O-OG1 3.12Å; C224-T228 WeakPolarHBondContact O-CB 3.3Å; C224-T228 PolarHBondContact O-N 2.9Å; C224-T228 PolarHBondContact O-OG1 3.23Å; L225-T228 HydrophobicContact CD1-CG2 4.46Å; L225-T228 PolarHBondContact O-N 3.44Å; T228-K235 WeakPolarHBondContact O-CD 3.27Å; T228-K235 VanDerWaalsContact O-CE 3.23Å; T228-K235 WeakPolarHBondContact O-CE 3.43Å; T228-K235 PolarHBondContact O-NZ 2.79Å
229	H	98.4	Very high	98.4	Very high	25 Å²	25	56.8 Å²	56.8	12%	0.116	30%	0.301	C	S	.	.			trans	-139.3	40	179.7	-53.1	-71.9	0	0	0	111.6	S212 F213 M214 G215 G216 A226 T227 K235 V245	S212-H229 PolarHBondContact OG-NE2 3.21Å; F213-H229 PolarHBondContact O-CD2 3.42Å; M214-H229 HydrophobicContact CE-CB 4.43Å; M214-H229 HydrophobicContact SD-CB 3.86Å; G215-H229 WeakPolarHBondContact CA-O 3.14Å; G215-H229 PolarHBondContact N-O 2.85Å; G215-H229 VanDerWaalsContact N-O 3.07Å; G216-H229 PolarHBondContact O-N 2.82Å; A226-H229 PolarHBondContact O-CE1 2.89Å; A226-H229 PolarHBondContact O-NE2 3.32Å; T227-H229 PolarHBondContact O-CD2 2.61Å; T227-H229 VanDerWaalsContact O-CD2 3.24Å; T227-H229 PolarHBondContact O-NE2 3.05Å; H229-K235 PolarHBondContact CE1-NZ 3.4Å; H229-K235 PolarHBondContact ND1-NZ 2.85Å; H229-V245 WeakPolarHBondContact CE1-CG2 3.37Å; H229-V245 WeakPolarHBondContact NE2-CG2 3.46Å
230	S	97.4	Very high	98.4	Very high	17 Å²	17	59.7 Å²	59.7	12%	0.119	32%	0.321	C	S	.	.	S	Bend	trans	-87.5	-46.9	-169.9	71.5	0	0	0	0	114.4	G216 F217 H234	G216-S230 PolarHBondContact O-N 3.47Å; F217-S230 WeakPolarHBondContact CD2-OG 3.38Å; S230-H234 PolarHBondContact OG-CE1 3.28Å; S230-H234 PolarHBondContact OG-ND1 3.39Å
231	K	97.8	Very high	98.4	Very high	68 Å²	68	57.9 Å²	57.9	30%	0.296	32%	0.317	S	S	.	.			trans	-151.5	144.3	-174.2	-61.8	-174.9	-178.5	175.2	0	110.4	I233 H234	K231-I233 VanDerWaalsContact C-N 3.33Å; K231-I233 HydrophobicContact CB-CG2 4.25Å; K231-I233 PolarHBondContact O-N 3.32Å; K231-H234 WeakPolarHBondContact O-CB 3.48Å; K231-H234 PolarHBondContact O-N 3.47Å; K231-H234 VanDerWaalsContact O-N 3.09Å
232	V	97.3	Very high	98.4	Very high	115 Å²	115	59.5 Å²	59.5	70%	0.697	32%	0.323	S	S	*	.	H	α-helix	trans	-55.7	-46.6	-179.9	177.3	0	0	0	0	111.8	H234 K235 L236	V232-H234 PolarHBondContact O-N 3.21Å; V232-K235 PolarHBondContact O-N 2.93Å; V232-L236 HydrophobicContact CG1-CB 4.32Å; V232-L236 PolarHBondContact O-N 3.37Å
233	I	97.5	Very high	98.4	Very high	138 Å²	138	56.1 Å²	56.1	71%	0.708	30%	0.304	S	S	*	.	H	α-helix	trans	-61.3	-17	-178.4	-166.3	58.3	0	0	0	114	K231	K231-I233 VanDerWaalsContact C-N 3.33Å; K231-I233 HydrophobicContact CB-CG2 4.25Å; K231-I233 PolarHBondContact O-N 3.32Å
234	H	98.4	Very high	98.4	Very high	27 Å²	27	55.9 Å²	55.9	13%	0.125	30%	0.301	C	S	.	.	H	α-helix	trans	-81.3	-26.7	174.6	-60	167	0	0	0	112.5	F217 R220 L225 S230 K231 V232	F217-H234 AromaticContact CE2-ND1 3.76Å; R220-H234 PolarHBondContact NH2-NE2 2.81Å; L225-H234 VanDerWaalsContact CD1-O 3.29Å; L225-H234 WeakPolarHBondContact CD1-O 3.13Å; S230-H234 PolarHBondContact OG-CE1 3.28Å; S230-H234 PolarHBondContact OG-ND1 3.39Å; K231-H234 WeakPolarHBondContact O-CB 3.48Å; K231-H234 PolarHBondContact O-N 3.47Å; K231-H234 VanDerWaalsContact O-N 3.09Å; V232-H234 PolarHBondContact O-N 3.21Å
235	K	98.4	Very high	98.3	Very high	54 Å²	54	58.4 Å²	58.4	24%	0.235	32%	0.316	C	S	.	.	H	α-helix	trans	-112	-28.8	-169.2	-57.7	-156.3	77.2	156.6	0	115	L225 T228 H229 V232 D237 V238	L225-K235 HydrophobicContact CD1-CG 4.25Å; L225-K235 WeakPolarHBondContact O-CE 3.4Å; L225-K235 PolarHBondContact O-NZ 3.38Å; T228-K235 WeakPolarHBondContact O-CD 3.27Å; T228-K235 VanDerWaalsContact O-CE 3.23Å; T228-K235 WeakPolarHBondContact O-CE 3.43Å; T228-K235 PolarHBondContact O-NZ 2.79Å; H229-K235 PolarHBondContact CE1-NZ 3.4Å; H229-K235 PolarHBondContact ND1-NZ 2.85Å; V232-K235 PolarHBondContact O-N 2.93Å; K235-D237 PolarHBondContact O-N 3.12Å; K235-V238 PolarHBondContact O-N 3.19Å
236	L	98.1	Very high	98.3	Very high	105 Å²	105	58.1 Å²	58.1	55%	0.55	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	139.2	-175.6	-173	66.3	0	0	0	110.5	V232 V238	V232-L236 HydrophobicContact CG1-CB 4.32Å; V232-L236 PolarHBondContact O-N 3.37Å; L236-V238 PolarHBondContact O-N 3.09Å
237	D	98.5	Very high	98.3	Very high	152 Å²	152	59.5 Å²	59.5	81%	0.813	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	8.6	178.2	-49.8	-39	0	0	0	116.8	K235	K235-D237 PolarHBondContact O-N 3.12Å
238	V	98.6	Very high	98.2	Very high	58 Å²	58	60.3 Å²	60.3	35%	0.352	33%	0.327	S	S	.	.			trans	-107.1	128.2	176.6	-170.3	0	0	0	0	111	L222 L225 K235 L236	L222-V238 HydrophobicContact CD2-CG1 3.44Å; L222-V238 VanDerWaalsContact CD2-CG1 3.44Å; L225-V238 HydrophobicContact CD2-CB 3.74Å; L225-V238 HydrophobicContact CD2-CG1 3.55Å; L225-V238 HydrophobicContact CD2-CG2 4Å; K235-V238 PolarHBondContact O-N 3.19Å; L236-V238 PolarHBondContact O-N 3.09Å
239	P	98.6	Very high	98.2	Very high	106 Å²	106	60.4 Å²	60.4	69%	0.688	33%	0.328	S	S	*	.			trans	-54.1	146.1	172.1	-26.1	34.9	0	0	0	112.1
240	S	98.6	Very high	98.1	Very high	67 Å²	67	67.1 Å²	67.1	47%	0.469	35%	0.352	S	S	.	.			trans	-139	170.7	-176.5	-149.1	0	0	0	0	112.1	A226	A226-S240 WeakPolarHBondContact CA-OG 3.11Å
241	F	98.6	Very high	98.2	Very high	109 Å²	109	67 Å²	67	48%	0.478	35%	0.35	S	S	.	.			trans	-95.6	132.4	173.7	-61.4	-84.9	0	0	0	109	A226 W243	A226-F241 HydrophobicContact CB-CB 4.04Å; A226-F241 HydrophobicContact CB-CD2 3.71Å; A226-F241 HydrophobicContact CB-CG 4.37Å; F241-W243 VanDerWaalsContact C-N 3.31Å; F241-W243 HydrophobicContact CB-CD2 3.75Å; F241-W243 HydrophobicContact CB-CE3 4.38Å; F241-W243 HydrophobicContact CB-CG 3.9Å; F241-W243 HydrophobicContact CB-CZ2 4.18Å; F241-W243 HydrophobicContact CD1-CZ2 4.35Å; F241-W243 HydrophobicContact CD2-CH2 4.4Å; F241-W243 HydrophobicContact CD2-CZ2 4.35Å; F241-W243 HydrophobicContact CG-CD2 4.48Å; F241-W243 HydrophobicContact CG-CZ2 4.04Å; F241-W243 PolarHBondContact O-N 3.04Å
242	D	98.2	Very high	98.2	Very high	94 Å²	94	69 Å²	69	50%	0.503	36%	0.359	S	S	.	.			trans	-69.7	94	166.4	177	40.9	0	0	0	106.5	W281 K286	D242-W281 HydrophobicContact CB-CH2 4.27Å; D242-W281 VanDerWaalsContact CG-CH2 3.48Å; D242-W281 WeakPolarHBondContact O-CH2 3.49Å; D242-W281 WeakPolarHBondContact O-CZ3 3.43Å; D242-W281 WeakPolarHBondContact OD1-CH2 3.31Å; D242-K286 IonicContact OD2-NZ 3.54Å; D242-K286 PolarHBondContact OD2-NZ 3.07Å
243	W	98.7	Very high	98.2	Very high	27 Å²	27	65.2 Å²	65.2	10%	0.102	33%	0.332	C	S	.	.			trans	-128.6	156.9	178.4	-75.8	-7.2	0	0	0	110.9	F176 L208 I210 A226 T227 F241 W281	F176-W243 HydrophobicContact CE2-CH2 4.31Å; F176-W243 HydrophobicContact CE2-CZ2 4.39Å; F176-W243 AromaticContact CZ-CH2 3.82Å; F176-W243 HydrophobicContact CZ-CH2 3.82Å; F176-W243 AromaticContact CZ-CZ2 3.74Å; F176-W243 HydrophobicContact CZ-CZ2 3.74Å; L208-W243 PolarHBondContact O-NE1 3.05Å; I210-W243 HydrophobicContact CB-CD2 4.48Å; I210-W243 HydrophobicContact CB-CE3 3.84Å; I210-W243 HydrophobicContact CB-CH2 4.47Å; I210-W243 HydrophobicContact CB-CZ3 3.84Å; I210-W243 HydrophobicContact CG1-CE3 4.41Å; I210-W243 HydrophobicContact CG1-CH2 4.16Å; I210-W243 HydrophobicContact CG1-CZ3 3.99Å; A226-W243 HydrophobicContact CB-CE3 4.11Å; A226-W243 HydrophobicContact CB-CZ3 4.29Å; T227-W243 HydrophobicContact CG2-CE3 3.84Å; T227-W243 HydrophobicContact CG2-CZ3 3.83Å; F241-W243 VanDerWaalsContact C-N 3.31Å; F241-W243 HydrophobicContact CB-CD2 3.75Å; F241-W243 HydrophobicContact CB-CE3 4.38Å; F241-W243 HydrophobicContact CB-CG 3.9Å; F241-W243 HydrophobicContact CB-CZ2 4.18Å; F241-W243 HydrophobicContact CD1-CZ2 4.35Å; F241-W243 HydrophobicContact CD2-CH2 4.4Å; F241-W243 HydrophobicContact CD2-CZ2 4.35Å; F241-W243 HydrophobicContact CG-CD2 4.48Å; F241-W243 HydrophobicContact CG-CZ2 4.04Å; F241-W243 PolarHBondContact O-N 3.04Å; W243-W281 VanDerWaalsContact CA-CH2 3.41Å
244	P	98.3	Very high	98.1	Very high	1 Å²	1	61 Å²	61	1%	0.006	31%	0.313	C	S	.	.			trans	-66.1	138.1	-178.6	7.7	-6.1	0	0	0	112.9	L211 S212 L277 W281 V288	L211-P244 HydrophobicContact CB-CB 4.25Å; L211-P244 HydrophobicContact CB-CG 3.95Å; L211-P244 HydrophobicContact CD1-CB 4.02Å; L211-P244 HydrophobicContact CD1-CG 4.33Å; L211-P244 HydrophobicContact CG-CB 4.02Å; L211-P244 HydrophobicContact CG-CG 4.27Å; S212-P244 PolarHBondContact N-O 2.91Å; S212-P244 VanDerWaalsContact N-O 3.1Å; P244-L277 HydrophobicContact CB-CB 4.15Å; P244-L277 HydrophobicContact CB-CD1 4.26Å; P244-L277 HydrophobicContact CB-CD2 4.36Å; P244-W281 HydrophobicContact CB-CD2 4.16Å; P244-W281 HydrophobicContact CB-CG 4.08Å; P244-W281 HydrophobicContact CB-CZ2 4.45Å; P244-W281 VanDerWaalsContact CB-NE1 3.33Å; P244-W281 HydrophobicContact CG-CB 4.43Å; P244-W281 HydrophobicContact CG-CD2 3.71Å; P244-W281 HydrophobicContact CG-CE3 4.34Å; P244-W281 HydrophobicContact CG-CG 3.69Å; P244-V288 HydrophobicContact CG-CG2 3.65Å
245	V	98.3	Very high	98	Very high	53 Å²	53	62.8 Å²	62.8	32%	0.321	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	113.6	173.6	-170.1	0	0	0	0	109	S212 M214 H229 L277	S212-V245 CarbonylContact O-C 3.55Å; S212-V245 WeakPolarHBondContact O-CA 3.29Å; M214-V245 HydrophobicContact CB-CG1 4.46Å; M214-V245 HydrophobicContact CE-CG1 4.27Å; H229-V245 WeakPolarHBondContact CE1-CG2 3.37Å; H229-V245 WeakPolarHBondContact NE2-CG2 3.46Å; V245-L277 WeakPolarHBondContact O-CD1 3.08Å
246	A	98.3	Very high	97.8	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.008	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	154.8	175.5	0	0	0	0	0	111.2	L211 S212 F213 M214 V273 V274 L277	L211-A246 HydrophobicContact CD2-CB 4.09Å; S212-A246 PolarHBondContact O-N 3.36Å; F213-A246 CarbonylContact C-O 3.29Å; F213-A246 VanDerWaalsContact CA-O 3.26Å; F213-A246 WeakPolarHBondContact CA-O 3.33Å; F213-A246 HydrophobicContact CD1-CB 3.87Å; F213-A246 HydrophobicContact CE1-CB 3.8Å; F213-A246 HydrophobicContact CZ-CB 4.45Å; M214-A246 PolarHBondContact N-O 3.18Å; A246-V273 HydrophobicContact CB-CG1 4.48Å; A246-V274 HydrophobicContact CB-CG2 3.75Å; A246-L277 HydrophobicContact CB-CD1 4Å
247	P	97.7	Very high	97.8	Very high	32 Å²	32	69 Å²	69	21%	0.208	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-69.6	142	167.4	30.3	-34.3	0	0	0	110.5	F213 C269 V273	F213-P247 WeakPolarHBondContact CD1-O 3.09Å; P247-C269 HydrophobicContact CG-CB 4.43Å; P247-V273 HydrophobicContact CG-CB 4.03Å; P247-V273 HydrophobicContact CG-CG1 4.06Å; P247-V273 HydrophobicContact CG-CG2 3.94Å
248	F	98.4	Very high	97.8	Very high	18 Å²	18	64.7 Å²	64.7	8%	0.079	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-91.9	140.5	164.7	-169.8	-90.3	0	0	0	109.3	F213 R250 I293 Q297 N303 A305 F309 F310	F213-F248 HydrophobicContact CB-CB 4.23Å; F213-F248 HydrophobicContact CB-CD2 4.43Å; F213-F248 HydrophobicContact CD1-CB 4.46Å; F213-F248 HydrophobicContact CD1-CD2 4.39Å; F213-F248 HydrophobicContact CG-CD2 4.49Å; F248-R250 PolarHBondContact O-N 2.86Å; F248-I293 HydrophobicContact CD2-CD1 4.24Å; F248-I293 HydrophobicContact CE2-CD1 4.02Å; F248-I293 HydrophobicContact CE2-CG1 4.41Å; F248-Q297 HydrophobicContact CD1-CG 4.41Å; F248-Q297 HydrophobicContact CD2-CG 4.01Å; F248-Q297 HydrophobicContact CE1-CG 4.47Å; F248-Q297 HydrophobicContact CE2-CG 4.05Å; F248-Q297 VanDerWaalsContact CG-CD 3.48Å; F248-Q297 HydrophobicContact CG-CG 4.18Å; F248-Q297 HydrophobicContact CZ-CG 4.29Å; F248-N303 HydrophobicContact CD1-CB 3.63Å; F248-N303 HydrophobicContact CE1-CB 3.56Å; F248-A305 HydrophobicContact CE1-CB 4.2Å; F248-A305 HydrophobicContact CZ-CB 3.8Å; F248-F309 HydrophobicContact CE2-CE1 4.21Å; F248-F310 HydrophobicContact CE2-CE1 4.46Å; F248-F310 HydrophobicContact CE2-CZ 4.33Å; F248-F310 HydrophobicContact CZ-CZ 4.27Å
249	P	97.8	Very high	97.7	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.006	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-56.1	131.4	-178.7	-24.5	33.3	0	0	0	112.8	L251 E265 E266 C269 A305 F309	P249-L251 HydrophobicContact CB-CD2 4.34Å; P249-E265 HydrophobicContact CB-CG 4.24Å; P249-E266 HydrophobicContact CB-CG 3.78Å; P249-E266 HydrophobicContact CG-CB 4.46Å; P249-E266 HydrophobicContact CG-CG 3.86Å; P249-C269 HydrophobicContact CG-CB 4.15Å; P249-A305 HydrophobicContact CG-CB 4.25Å; P249-F309 HydrophobicContact CG-CD1 4.49Å; P249-F309 HydrophobicContact CG-CD2 3.67Å; P249-F309 HydrophobicContact CG-CE1 4.32Å; P249-F309 HydrophobicContact CG-CE2 3.46Å; P249-F309 VanDerWaalsContact CG-CE2 3.46Å; P249-F309 HydrophobicContact CG-CG 4.19Å; P249-F309 HydrophobicContact CG-CZ 3.82Å
250	R	97.6	Very high	97.6	Very high	167 Å²	167	68.4 Å²	68.4	63%	0.63	33%	0.331	S	S	*	.			trans	-104.2	89.6	173.1	-172.7	176.9	178	160.6	1.6	110.8	F248	F248-R250 PolarHBondContact O-N 2.86Å
251	L	98.3	Very high	97.6	Very high	13 Å²	13	67.6 Å²	67.6	7%	0.068	32%	0.32	C	S	.	.			trans	-62.7	141	-178.6	-53	-174.2	0	0	0	112.8	P249 Y253 L255 N262 E266 H304 R433	P249-L251 HydrophobicContact CB-CD2 4.34Å; L251-Y253 HydrophobicContact CB-CE2 3.96Å; L251-Y253 WeakPolarHBondContact O-CD2 3.4Å; L251-Y253 WeakPolarHBondContact O-CE2 3.48Å; L251-L255 HydrophobicContact CB-CD2 4.18Å; L251-L255 HydrophobicContact CD1-CD2 3.94Å; L251-N262 WeakPolarHBondContact CA-OD1 3.47Å; L251-N262 HydrophobicContact CD2-CB 3.96Å; L251-E266 HydrophobicContact CD2-CG 4.2Å; L251-H304 WeakPolarHBondContact CD1-O 3.47Å; L251-H304 WeakPolarHBondContact CG-O 3.09Å; L251-R433 PolarHBondContact O-NH2 3.18Å
252	K	98.2	Very high	97.6	Very high	112 Å²	112	63 Å²	63	49%	0.487	30%	0.301	S	S	.	.			trans	-87.7	145.9	167.4	-65.2	-178	-178.2	175.9	0	109.8	F258 E261 N262	K252-F258 HydrophobicContact CB-CB 3.66Å; K252-F258 HydrophobicContact CB-CD1 3.91Å; K252-F258 HydrophobicContact CB-CD2 3.77Å; K252-F258 HydrophobicContact CB-CE2 4.41Å; K252-F258 HydrophobicContact CB-CG 3.49Å; K252-F258 VanDerWaalsContact CB-CG 3.49Å; K252-F258 HydrophobicContact CD-CD1 3.76Å; K252-F258 HydrophobicContact CD-CE1 4.1Å; K252-F258 HydrophobicContact CD-CG 4.24Å; K252-E261 HydrophobicContact CD-CB 4.4Å; K252-N262 PolarHBondContact N-OD1 3.04Å; K252-N262 PolarHBondContact O-ND2 3.2Å
253	Y	97.2	Very high	97.6	Very high	34 Å²	34	61.3 Å²	61.3	13%	0.133	30%	0.299	C	S	.	.	S	Bend	trans	-127.8	147.8	-176.1	-68.9	-98.5	0	0	0	110.1	L251 L255 F258 R433 R435	L251-Y253 HydrophobicContact CB-CE2 3.96Å; L251-Y253 WeakPolarHBondContact O-CD2 3.4Å; L251-Y253 WeakPolarHBondContact O-CE2 3.48Å; Y253-L255 HydrophobicContact CD1-CD2 3.97Å; Y253-L255 HydrophobicContact CD1-CG 3.87Å; Y253-L255 HydrophobicContact CE1-CD1 4.14Å; Y253-L255 HydrophobicContact CE1-CD2 3.7Å; Y253-L255 HydrophobicContact CE1-CG 3.74Å; Y253-F258 WeakPolarHBondContact O-CE2 3.45Å; Y253-R433 HydrophobicContact CD2-CB 3.97Å; Y253-R433 HydrophobicContact CD2-CG 4.06Å; Y253-R433 HydrophobicContact CG-CB 4.23Å; Y253-R433 HydrophobicContact CG-CG 4.41Å; Y253-R435 HydrophobicContact CE1-CB 3.64Å; Y253-R435 WeakPolarHBondContact OH-CD 3.16Å
254	P	96.3	Very high	97.5	Very high	49 Å²	49	65.6 Å²	65.6	32%	0.318	32%	0.321	S	S	.	.	S	Bend	cis	-65.9	144.3	0.3	-20.4	34.1	0	0	0	113.6	E256 E257 F258	P254-E256 PolarHBondContact O-N 2.98Å; P254-E257 HydrophobicContact CB-CG 4.45Å; P254-E257 PolarHBondContact O-N 2.86Å; P254-E257 VanDerWaalsContact O-N 3.16Å; P254-F258 WeakPolarHBondContact O-CD2 3.34Å; P254-F258 PolarHBondContact O-N 2.92Å
255	L	95.9	Very high	97.5	Very high	66 Å²	66	67.7 Å²	67.7	35%	0.346	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.4	-170.4	-68.7	176.7	0	0	0	112.3	L251 Y253 E257 F258 S259	L251-L255 HydrophobicContact CB-CD2 4.18Å; L251-L255 HydrophobicContact CD1-CD2 3.94Å; Y253-L255 HydrophobicContact CD1-CD2 3.97Å; Y253-L255 HydrophobicContact CD1-CG 3.87Å; Y253-L255 HydrophobicContact CE1-CD1 4.14Å; Y253-L255 HydrophobicContact CE1-CD2 3.7Å; Y253-L255 HydrophobicContact CE1-CG 3.74Å; L255-E257 VanDerWaalsContact C-N 3.29Å; L255-E257 PolarHBondContact O-N 3.4Å; L255-F258 PolarHBondContact O-N 3.45Å; L255-S259 PolarHBondContact O-N 3.22Å
256	E	94.6	Very high	97.5	Very high	149 Å²	149	66 Å²	66	70%	0.696	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.5	-179	-59.9	73.2	-159.7	0	0	111.8	P254	P254-E256 PolarHBondContact O-N 2.98Å
257	E	97.1	Very high	97.4	Very high	141 Å²	141	67.7 Å²	67.7	66%	0.659	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-26.7	-179.2	-66.7	-178	-157.6	0	0	112.8	P254 L255	P254-E257 HydrophobicContact CB-CG 4.45Å; P254-E257 PolarHBondContact O-N 2.86Å; P254-E257 VanDerWaalsContact O-N 3.16Å; L255-E257 VanDerWaalsContact C-N 3.29Å; L255-E257 PolarHBondContact O-N 3.4Å
258	F	97.9	Very high	97.3	Very high	61 Å²	61	70.1 Å²	70.1	27%	0.268	34%	0.338	S	S	.	.	S	Bend	trans	-115.4	23.4	-173.7	-64.9	-76.7	0	0	0	113.6	K252 Y253 P254 L255 R260 E261 N262	K252-F258 HydrophobicContact CB-CB 3.66Å; K252-F258 HydrophobicContact CB-CD1 3.91Å; K252-F258 HydrophobicContact CB-CD2 3.77Å; K252-F258 HydrophobicContact CB-CE2 4.41Å; K252-F258 HydrophobicContact CB-CG 3.49Å; K252-F258 VanDerWaalsContact CB-CG 3.49Å; K252-F258 HydrophobicContact CD-CD1 3.76Å; K252-F258 HydrophobicContact CD-CE1 4.1Å; K252-F258 HydrophobicContact CD-CG 4.24Å; Y253-F258 WeakPolarHBondContact O-CE2 3.45Å; P254-F258 WeakPolarHBondContact O-CD2 3.34Å; P254-F258 PolarHBondContact O-N 2.92Å; L255-F258 PolarHBondContact O-N 3.45Å; F258-R260 VanDerWaalsContact C-N 3.29Å; F258-R260 PolarHBondContact O-N 3.43Å; F258-E261 HydrophobicContact CB-CB 4.48Å; F258-E261 HydrophobicContact CD1-CG 4.41Å; F258-E261 PolarHBondContact O-N 3.48Å; F258-N262 VanDerWaalsContact O-CB 3.25Å; F258-N262 WeakPolarHBondContact O-CB 3.47Å; F258-N262 PolarHBondContact O-N 3.43Å; F258-N262 PolarHBondContact O-ND2 3.16Å
259	S	97.2	Very high	97.2	Very high	81 Å²	81	69.2 Å²	69.2	57%	0.566	33%	0.334	S	S	*	.	H	α-helix	trans	-53.3	-42.7	-176.2	55.3	0	0	0	0	113.4	L255 A263	L255-S259 PolarHBondContact O-N 3.22Å; S259-A263 WeakPolarHBondContact O-CB 3.17Å; S259-A263 PolarHBondContact O-N 3.15Å
260	R	97.8	Very high	96.9	Very high	160 Å²	160	69.7 Å²	69.7	60%	0.604	34%	0.336	S	S	*	.	H	α-helix	trans	-68.9	-48.2	178.4	-176.6	-174.8	64.1	173.2	-0.9	112.1	F258 N262 A263 Q264	F258-R260 VanDerWaalsContact C-N 3.29Å; F258-R260 PolarHBondContact O-N 3.43Å; R260-N262 VanDerWaalsContact C-N 3.28Å; R260-N262 PolarHBondContact O-N 3.23Å; R260-A263 PolarHBondContact O-N 2.86Å; R260-Q264 WeakPolarHBondContact O-CG 3.28Å; R260-Q264 PolarHBondContact O-N 2.99Å
261	E	98.4	Very high	96	Very high	51 Å²	51	68.3 Å²	68.3	24%	0.238	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-37.8	-179.9	-68.5	69.1	-156.9	0	0	111	K252 F258 Q264 E265	K252-E261 HydrophobicContact CD-CB 4.4Å; F258-E261 HydrophobicContact CB-CB 4.48Å; F258-E261 HydrophobicContact CD1-CG 4.41Å; F258-E261 PolarHBondContact O-N 3.48Å; E261-Q264 PolarHBondContact O-N 2.95Å; E261-E265 WeakPolarHBondContact O-CB 3.41Å; E261-E265 PolarHBondContact O-N 3.41Å
262	N	98.4	Very high	94.4	Very high	12 Å²	12	73.5 Å²	73.5	6%	0.064	36%	0.361	C	S	.	.	H	α-helix	trans	-67.9	-43.9	176.6	-73.9	-19.6	0	0	0	111.9	L251 K252 F258 R260 Q264 E265 E266	L251-N262 WeakPolarHBondContact CA-OD1 3.47Å; L251-N262 HydrophobicContact CD2-CB 3.96Å; K252-N262 PolarHBondContact N-OD1 3.04Å; K252-N262 PolarHBondContact O-ND2 3.2Å; F258-N262 VanDerWaalsContact O-CB 3.25Å; F258-N262 WeakPolarHBondContact O-CB 3.47Å; F258-N262 PolarHBondContact O-N 3.43Å; F258-N262 PolarHBondContact O-ND2 3.16Å; R260-N262 VanDerWaalsContact C-N 3.28Å; R260-N262 PolarHBondContact O-N 3.23Å; N262-Q264 VanDerWaalsContact C-N 3.31Å; N262-Q264 PolarHBondContact O-N 3.31Å; N262-E265 PolarHBondContact O-N 3Å; N262-E266 WeakPolarHBondContact O-CG 3.38Å; N262-E266 PolarHBondContact O-N 3.15Å
263	A	97.6	Very high	93.2	Very high	58 Å²	58	69.8 Å²	69.8	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-61.3	-39.5	174.5	0	0	0	0	0	112.2	S259 R260 A267	S259-A263 WeakPolarHBondContact O-CB 3.17Å; S259-A263 PolarHBondContact O-N 3.15Å; R260-A263 PolarHBondContact O-N 2.86Å; A263-A267 WeakPolarHBondContact O-CB 3.44Å; A263-A267 PolarHBondContact O-N 2.94Å
264	Q	97.2	Very high	92.7	Very high	118 Å²	118	68.1 Å²	68.1	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-65	-42.4	175.1	-73.2	173.1	-15.5	0	0	112.3	R260 E261 N262 A267 R268	R260-Q264 WeakPolarHBondContact O-CG 3.28Å; R260-Q264 PolarHBondContact O-N 2.99Å; E261-Q264 PolarHBondContact O-N 2.95Å; N262-Q264 VanDerWaalsContact C-N 3.31Å; N262-Q264 PolarHBondContact O-N 3.31Å; Q264-A267 PolarHBondContact O-N 2.82Å; Q264-R268 VanDerWaalsContact O-CB 3.3Å; Q264-R268 WeakPolarHBondContact O-CB 3.31Å; Q264-R268 PolarHBondContact O-N 3.32Å
265	E	97.9	Very high	92.5	Very high	44 Å²	44	67.9 Å²	67.9	21%	0.206	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-41.7	177.5	172.7	59	-175.2	0	0	112.1	P249 E261 N262 R268 C269	P249-E265 HydrophobicContact CB-CG 4.24Å; E261-E265 WeakPolarHBondContact O-CB 3.41Å; E261-E265 PolarHBondContact O-N 3.41Å; N262-E265 PolarHBondContact O-N 3Å; E265-R268 VanDerWaalsContact CD-NH2 3.28Å; E265-R268 PolarHBondContact O-N 3.01Å; E265-R268 IonicContact OE1-CZ 3.78Å; E265-R268 IonicContact OE1-NH2 3.46Å; E265-R268 PolarHBondContact OE1-NH2 3.37Å; E265-R268 IonicContact OE2-CZ 2.8Å; E265-R268 IonicContact OE2-NE 3.65Å; E265-R268 PolarHBondContact OE2-NE 2.86Å; E265-R268 IonicContact OE2-NH2 3.41Å; E265-R268 PolarHBondContact OE2-NH2 2.73Å; E265-C269 PolarHBondContact O-N 2.61Å; E265-C269 VanDerWaalsContact O-N 3.09Å; E265-C269 PolarHBondContact O-SG 3.05Å; E265-C269 VanDerWaalsContact O-SG 3.36Å
266	E	98.2	Very high	92.5	Very high	18 Å²	18	69.3 Å²	69.3	8%	0.084	34%	0.344	C	S	.	.	H	α-helix	trans	-64.1	-45.2	175.1	-72.3	-176.9	169.6	0	0	111.8	P249 L251 N262 C269 L270 S306 F309	P249-E266 HydrophobicContact CB-CG 3.78Å; P249-E266 HydrophobicContact CG-CB 4.46Å; P249-E266 HydrophobicContact CG-CG 3.86Å; L251-E266 HydrophobicContact CD2-CG 4.2Å; N262-E266 WeakPolarHBondContact O-CG 3.38Å; N262-E266 PolarHBondContact O-N 3.15Å; E266-C269 PolarHBondContact O-N 3.33Å; E266-L270 WeakPolarHBondContact O-CG 3.45Å; E266-L270 PolarHBondContact O-N 3.22Å; E266-L270 VanDerWaalsContact O-N 3.09Å; E266-S306 WeakPolarHBondContact OE1-CB 3.15Å; E266-S306 PolarHBondContact OE1-N 3.27Å; E266-S306 PolarHBondContact OE1-OG 3.45Å; E266-S306 WeakPolarHBondContact OE2-CB 3.38Å; E266-S306 PolarHBondContact OE2-OG 3.01Å; E266-F309 HydrophobicContact CB-CB 4.38Å; E266-F309 HydrophobicContact CB-CD2 4.11Å; E266-F309 HydrophobicContact CG-CB 4.2Å; E266-F309 HydrophobicContact CG-CD2 4.29Å
267	A	96.3	Very high	92.7	Very high	36 Å²	36	63.4 Å²	63.4	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-44.9	176.4	0	0	0	0	0	111.9	A263 Q264 C269 L270 E271	A263-A267 WeakPolarHBondContact O-CB 3.44Å; A263-A267 PolarHBondContact O-N 2.94Å; Q264-A267 PolarHBondContact O-N 2.82Å; A267-C269 VanDerWaalsContact C-N 3.32Å; A267-C269 PolarHBondContact O-N 3.11Å; A267-L270 PolarHBondContact O-N 3.36Å; A267-L270 VanDerWaalsContact O-N 3.12Å; A267-E271 WeakPolarHBondContact O-CB 3.39Å; A267-E271 PolarHBondContact O-N 2.95Å
268	R	95.6	Very high	92.7	Very high	83 Å²	83	56.8 Å²	56.8	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-57.3	-43.5	176	-169.8	-165.5	62.6	68.1	2.9	111.8	Q264 E265 E272	Q264-R268 VanDerWaalsContact O-CB 3.3Å; Q264-R268 WeakPolarHBondContact O-CB 3.31Å; Q264-R268 PolarHBondContact O-N 3.32Å; E265-R268 VanDerWaalsContact CD-NH2 3.28Å; E265-R268 PolarHBondContact O-N 3.01Å; E265-R268 IonicContact OE1-CZ 3.78Å; E265-R268 IonicContact OE1-NH2 3.46Å; E265-R268 PolarHBondContact OE1-NH2 3.37Å; E265-R268 IonicContact OE2-CZ 2.8Å; E265-R268 IonicContact OE2-NE 3.65Å; E265-R268 PolarHBondContact OE2-NE 2.86Å; E265-R268 IonicContact OE2-NH2 3.41Å; E265-R268 PolarHBondContact OE2-NH2 2.73Å; R268-E272 HydrophobicContact CG-CG 4.45Å; R268-E272 VanDerWaalsContact CG-OE2 3.28Å; R268-E272 WeakPolarHBondContact CG-OE2 3.38Å; R268-E272 WeakPolarHBondContact O-CB 3.39Å; R268-E272 PolarHBondContact O-N 3.06Å
269	C	95.6	Very high	92.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-40.3	176.5	-72.5	0	0	0	0	112.3	P247 P249 E265 E266 A267 V274 F309	P247-C269 HydrophobicContact CG-CB 4.43Å; P249-C269 HydrophobicContact CG-CB 4.15Å; E265-C269 PolarHBondContact O-N 2.61Å; E265-C269 VanDerWaalsContact O-N 3.09Å; E265-C269 PolarHBondContact O-SG 3.05Å; E265-C269 VanDerWaalsContact O-SG 3.36Å; E266-C269 PolarHBondContact O-N 3.33Å; A267-C269 VanDerWaalsContact C-N 3.32Å; A267-C269 PolarHBondContact O-N 3.11Å; C269-V274 WeakPolarHBondContact O-CG2 3.41Å; C269-V274 PolarHBondContact O-N 3.48Å; C269-F309 HydrophobicContact CB-CE2 4.18Å
270	L	92.1	Very high	92.7	Very high	11 Å²	11	58.2 Å²	58.2	6%	0.058	29%	0.286	C	S	.	.	I	π-helix	trans	-73.3	-58	-178.8	-68.8	168.2	0	0	0	113	E266 A267 E275 F309 N312 L313 I316	E266-L270 WeakPolarHBondContact O-CG 3.45Å; E266-L270 PolarHBondContact O-N 3.22Å; E266-L270 VanDerWaalsContact O-N 3.09Å; A267-L270 PolarHBondContact O-N 3.36Å; A267-L270 VanDerWaalsContact O-N 3.12Å; L270-E275 PolarHBondContact O-N 3.47Å; L270-F309 HydrophobicContact CD1-CD2 3.9Å; L270-F309 HydrophobicContact CD1-CE2 4.46Å; L270-F309 HydrophobicContact CD2-CD2 3.8Å; L270-F309 HydrophobicContact CD2-CE2 3.65Å; L270-F309 HydrophobicContact CD2-CZ 4.38Å; L270-F309 HydrophobicContact CG-CD2 3.69Å; L270-F309 HydrophobicContact CG-CE2 3.75Å; L270-N312 HydrophobicContact CD1-CB 3.6Å; L270-N312 HydrophobicContact CD2-CB 4.42Å; L270-L313 HydrophobicContact CD2-CB 3.74Å; L270-L313 HydrophobicContact CD2-CD1 4.15Å; L270-I316 HydrophobicContact CB-CD1 3.98Å; L270-I316 HydrophobicContact CD2-CD1 3.95Å
271	E	78.1	Confident	92.7	Very high	138 Å²	138	51.1 Å²	51.1	65%	0.645	26%	0.26	S	S	*	.	I	π-helix	trans	-77.1	-50.2	-170.1	-67.2	-177.9	176.3	0	0	111.8	A267	A267-E271 WeakPolarHBondContact O-CB 3.39Å; A267-E271 PolarHBondContact O-N 2.95Å
272	E	64.3	Low	92.7	Very high	122 Å²	122	54.1 Å²	54.1	57%	0.57	27%	0.269	S	S	*	.	I	π-helix	trans	-84.4	-15.4	-171.5	-59.3	-176	175	0	0	113.4	R268 D276	R268-E272 HydrophobicContact CG-CG 4.45Å; R268-E272 VanDerWaalsContact CG-OE2 3.28Å; R268-E272 WeakPolarHBondContact CG-OE2 3.38Å; R268-E272 WeakPolarHBondContact O-CB 3.39Å; R268-E272 PolarHBondContact O-N 3.06Å; E272-D276 WeakPolarHBondContact O-CB 2.96Å; E272-D276 VanDerWaalsContact O-OD2 3.13Å
273	V	74.4	Confident	92.7	Very high	33 Å²	33	61 Å²	61	20%	0.2	30%	0.3	C	S	.	.	I	π-helix	trans	-127.9	-47.9	-170.8	-162.5	0	0	0	0	114.3	A246 P247 L277	A246-V273 HydrophobicContact CB-CG1 4.48Å; P247-V273 HydrophobicContact CG-CB 4.03Å; P247-V273 HydrophobicContact CG-CG1 4.06Å; P247-V273 HydrophobicContact CG-CG2 3.94Å; V273-L277 HydrophobicContact CG1-CD1 3.72Å; V273-L277 HydrophobicContact CG1-CG 4.17Å; V273-L277 WeakPolarHBondContact O-CB 3.49Å; V273-L277 WeakPolarHBondContact O-CD1 3.41Å; V273-L277 WeakPolarHBondContact O-CG 3.4Å; V273-L277 PolarHBondContact O-N 3.19Å
274	V	86.1	Confident	92.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-68.3	-53.3	180	176	0	0	0	0	110.9	L211 F213 A246 C269 L277 I278 I291 L313 I316	L211-V274 HydrophobicContact CD1-CG1 4.16Å; L211-V274 HydrophobicContact CD2-CG1 4.43Å; F213-V274 HydrophobicContact CE1-CG2 3.83Å; F213-V274 HydrophobicContact CZ-CG2 3.97Å; A246-V274 HydrophobicContact CB-CG2 3.75Å; C269-V274 WeakPolarHBondContact O-CG2 3.41Å; C269-V274 PolarHBondContact O-N 3.48Å; V274-L277 PolarHBondContact O-N 2.89Å; V274-I278 HydrophobicContact CG1-CD1 3.97Å; V274-I278 WeakPolarHBondContact O-CG1 2.99Å; V274-I278 PolarHBondContact O-N 2.95Å; V274-I291 HydrophobicContact CG1-CD1 4.37Å; V274-L313 HydrophobicContact CB-CD1 4.4Å; V274-L313 HydrophobicContact CG1-CD1 3.8Å; V274-L313 HydrophobicContact CG2-CD1 4.11Å; V274-I316 HydrophobicContact CG1-CG2 4.07Å
275	E	93	Very high	92.7	Very high	43 Å²	43	60.4 Å²	60.4	20%	0.201	30%	0.3	C	S	.	.	I	π-helix	trans	-64.2	-43.6	-177.7	-177.5	150.9	-151.7	0	0	111.8	L270 L277 I278 V279 I316 K319 H320	L270-E275 PolarHBondContact O-N 3.47Å; E275-L277 PolarHBondContact O-N 2.98Å; E275-I278 PolarHBondContact O-N 3.35Å; E275-V279 WeakPolarHBondContact O-CG2 3.36Å; E275-V279 PolarHBondContact O-N 2.96Å; E275-V279 VanDerWaalsContact O-N 3.1Å; E275-I316 HydrophobicContact CB-CG2 4.44Å; E275-K319 WeakPolarHBondContact OE1-CE 3.4Å; E275-K319 IonicContact OE1-NZ 2.64Å; E275-K319 PolarHBondContact OE1-NZ 3.46Å; E275-K319 IonicContact OE2-NZ 3.43Å; E275-K319 PolarHBondContact OE2-NZ 2.74Å; E275-H320 WeakPolarHBondContact CG-NE2 3.36Å; E275-H320 IonicContact OE1-CD2 3.61Å; E275-H320 IonicContact OE1-CE1 3.86Å; E275-H320 PolarHBondContact OE1-CE1 2.8Å; E275-H320 IonicContact OE1-NE2 2.84Å; E275-H320 PolarHBondContact OE1-NE2 2.83Å
276	D	95.5	Very high	92.7	Very high	97 Å²	97	60.3 Å²	60.3	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-40.5	175.4	-82.5	-1.6	0	0	0	113	E272 V279 K280	E272-D276 WeakPolarHBondContact O-CB 2.96Å; E272-D276 VanDerWaalsContact O-OD2 3.13Å; D276-V279 PolarHBondContact O-N 3.41Å; D276-K280 WeakPolarHBondContact O-CB 3.5Å; D276-K280 PolarHBondContact O-N 3.37Å
277	L	97.5	Very high	92.7	Very high	25 Å²	25	60.3 Å²	60.3	13%	0.131	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-46.2	174.2	-76.9	171.3	0	0	0	110.7	L211 P244 V245 A246 V273 V274 E275 V279 K280 W281	L211-L277 HydrophobicContact CD1-CB 4.04Å; L211-L277 HydrophobicContact CD1-CD1 4.43Å; P244-L277 HydrophobicContact CB-CB 4.15Å; P244-L277 HydrophobicContact CB-CD1 4.26Å; P244-L277 HydrophobicContact CB-CD2 4.36Å; V245-L277 WeakPolarHBondContact O-CD1 3.08Å; A246-L277 HydrophobicContact CB-CD1 4Å; V273-L277 HydrophobicContact CG1-CD1 3.72Å; V273-L277 HydrophobicContact CG1-CG 4.17Å; V273-L277 WeakPolarHBondContact O-CB 3.49Å; V273-L277 WeakPolarHBondContact O-CD1 3.41Å; V273-L277 WeakPolarHBondContact O-CG 3.4Å; V273-L277 PolarHBondContact O-N 3.19Å; V274-L277 PolarHBondContact O-N 2.89Å; E275-L277 PolarHBondContact O-N 2.98Å; L277-V279 VanDerWaalsContact C-N 3.3Å; L277-V279 PolarHBondContact O-N 3.17Å; L277-K280 PolarHBondContact O-N 3.35Å; L277-W281 VanDerWaalsContact O-CB 3.29Å; L277-W281 WeakPolarHBondContact O-CB 3.34Å; L277-W281 PolarHBondContact O-N 3.03Å
278	I	97.9	Very high	92.8	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-45.9	179.9	-66.1	164	0	0	0	111	L211 V274 E275 R282 V288 I291 I316 H320	L211-I278 HydrophobicContact CD1-CG1 4.03Å; V274-I278 HydrophobicContact CG1-CD1 3.97Å; V274-I278 WeakPolarHBondContact O-CG1 2.99Å; V274-I278 PolarHBondContact O-N 2.95Å; E275-I278 PolarHBondContact O-N 3.35Å; I278-R282 PolarHBondContact O-N 2.91Å; I278-R282 VanDerWaalsContact O-N 3.08Å; I278-V288 HydrophobicContact CB-CG2 4.48Å; I278-V288 HydrophobicContact CG1-CB 4.35Å; I278-V288 HydrophobicContact CG1-CG1 4.44Å; I278-V288 HydrophobicContact CG1-CG2 4.23Å; I278-V288 HydrophobicContact CG2-CB 4.44Å; I278-I291 HydrophobicContact CD1-CD1 4.03Å; I278-I316 HydrophobicContact CD1-CG2 3.98Å; I278-H320 HydrophobicContact CD1-CB 4.41Å; I278-H320 HydrophobicContact CG2-CB 3.8Å
279	V	97.3	Very high	92.9	Very high	58 Å²	58	54.7 Å²	54.7	35%	0.352	27%	0.272	S	S	.	.	H	α-helix	trans	-64.4	-49.1	177.9	175	0	0	0	0	111.3	E275 D276 L277 W281 R282 Q283	E275-V279 WeakPolarHBondContact O-CG2 3.36Å; E275-V279 PolarHBondContact O-N 2.96Å; E275-V279 VanDerWaalsContact O-N 3.1Å; D276-V279 PolarHBondContact O-N 3.41Å; L277-V279 VanDerWaalsContact C-N 3.3Å; L277-V279 PolarHBondContact O-N 3.17Å; V279-W281 VanDerWaalsContact C-N 3.31Å; V279-W281 PolarHBondContact O-N 3.42Å; V279-R282 PolarHBondContact O-N 3.2Å; V279-Q283 WeakPolarHBondContact O-CG 3.35Å; V279-Q283 PolarHBondContact O-N 3.48Å
280	K	97.7	Very high	93.1	Very high	114 Å²	114	54.7 Å²	54.7	50%	0.496	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-41.3	179.7	178.7	177.6	-179.9	176.2	0	112.2	D276 L277 Q283 K284	D276-K280 WeakPolarHBondContact O-CB 3.5Å; D276-K280 PolarHBondContact O-N 3.37Å; L277-K280 PolarHBondContact O-N 3.35Å; K280-Q283 PolarHBondContact O-N 2.88Å; K280-K284 WeakPolarHBondContact O-CG 3.48Å; K280-K284 PolarHBondContact O-N 2.88Å; K280-K284 VanDerWaalsContact O-N 3.12Å
281	W	97.9	Very high	93.4	Very high	11 Å²	11	54.1 Å²	54.1	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-72.5	-36.5	-179	-83.3	82	0	0	0	112.5	D242 W243 P244 L277 V279 Q283 K284 K286 V288	D242-W281 HydrophobicContact CB-CH2 4.27Å; D242-W281 VanDerWaalsContact CG-CH2 3.48Å; D242-W281 WeakPolarHBondContact O-CH2 3.49Å; D242-W281 WeakPolarHBondContact O-CZ3 3.43Å; D242-W281 WeakPolarHBondContact OD1-CH2 3.31Å; W243-W281 VanDerWaalsContact CA-CH2 3.41Å; P244-W281 HydrophobicContact CB-CD2 4.16Å; P244-W281 HydrophobicContact CB-CG 4.08Å; P244-W281 HydrophobicContact CB-CZ2 4.45Å; P244-W281 VanDerWaalsContact CB-NE1 3.33Å; P244-W281 HydrophobicContact CG-CB 4.43Å; P244-W281 HydrophobicContact CG-CD2 3.71Å; P244-W281 HydrophobicContact CG-CE3 4.34Å; P244-W281 HydrophobicContact CG-CG 3.69Å; L277-W281 VanDerWaalsContact O-CB 3.29Å; L277-W281 WeakPolarHBondContact O-CB 3.34Å; L277-W281 PolarHBondContact O-N 3.03Å; V279-W281 VanDerWaalsContact C-N 3.31Å; V279-W281 PolarHBondContact O-N 3.42Å; W281-Q283 VanDerWaalsContact C-N 3.35Å; W281-Q283 PolarHBondContact O-N 2.81Å; W281-K284 PolarHBondContact O-N 2.61Å; W281-K286 HydrophobicContact CE3-CB 3.57Å; W281-K286 HydrophobicContact CE3-CD 4.07Å; W281-K286 HydrophobicContact CE3-CG 4.47Å; W281-K286 HydrophobicContact CH2-CD 4.46Å; W281-K286 HydrophobicContact CZ3-CB 3.88Å; W281-K286 HydrophobicContact CZ3-CD 3.5Å; W281-K286 HydrophobicContact CZ3-CG 4.36Å; W281-K286 CarbonylContact O-C 3.54Å; W281-K286 VanDerWaalsContact O-C 3.29Å; W281-K286 WeakPolarHBondContact O-CA 3.46Å; W281-K286 PolarHBondContact O-N 3.35Å; W281-V288 HydrophobicContact CB-CG2 3.88Å; W281-V288 HydrophobicContact CG-CG2 4.46Å
282	R	97.6	Very high	94.4	Very high	114 Å²	114	47.6 Å²	47.6	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-59.7	-44.1	169	-176.9	175.3	-74.6	162	0.5	111.7	I278 V279 K284 G285 H320	I278-R282 PolarHBondContact O-N 2.91Å; I278-R282 VanDerWaalsContact O-N 3.08Å; V279-R282 PolarHBondContact O-N 3.2Å; R282-K284 VanDerWaalsContact C-N 3.26Å; R282-K284 PolarHBondContact O-N 3.34Å; R282-G285 PolarHBondContact O-N 2.91Å; R282-G285 VanDerWaalsContact O-N 3.07Å; R282-H320 PolarHBondContact NH2-O 3.33Å; R282-H320 VanDerWaalsContact NH2-O 3.09Å
283	Q	97.9	Very high	96.1	Very high	156 Å²	156	41.8 Å²	41.8	73%	0.729	21%	0.212	S	C	*	.	H	α-helix	trans	-64.9	-27.7	177.3	-70	171.8	-4.5	0	0	113.5	V279 K280 W281 G285	V279-Q283 WeakPolarHBondContact O-CG 3.35Å; V279-Q283 PolarHBondContact O-N 3.48Å; K280-Q283 PolarHBondContact O-N 2.88Å; W281-Q283 VanDerWaalsContact C-N 3.35Å; W281-Q283 PolarHBondContact O-N 2.81Å; Q283-G285 PolarHBondContact O-N 2.84Å
284	K	97.5	Very high	97.2	Very high	112 Å²	112	40.5 Å²	40.5	49%	0.487	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-0.8	173.4	-74.7	-179.7	169.7	-165.7	0	114.1	K280 W281 R282 K286	K280-K284 WeakPolarHBondContact O-CG 3.48Å; K280-K284 PolarHBondContact O-N 2.88Å; K280-K284 VanDerWaalsContact O-N 3.12Å; W281-K284 PolarHBondContact O-N 2.61Å; R282-K284 VanDerWaalsContact C-N 3.26Å; R282-K284 PolarHBondContact O-N 3.34Å; K284-K286 PolarHBondContact O-N 3.45Å
285	G	97.4	Very high	97.8	Very high	53 Å²	53	40.8 Å²	40.8	55%	0.546	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	13.9	-171.9	0	0	0	0	0	113.6	R282 Q283 P287	R282-G285 PolarHBondContact O-N 2.91Å; R282-G285 VanDerWaalsContact O-N 3.07Å; Q283-G285 PolarHBondContact O-N 2.84Å; G285-P287 VanDerWaalsContact C-CD 3.41Å; G285-P287 WeakPolarHBondContact O-CD 3.46Å
286	K	98.1	Very high	98.1	Very high	41 Å²	41	38.9 Å²	38.9	18%	0.178	20%	0.196	C	C	.	.			trans	-119.9	58.1	-177.9	-61.5	-169.3	-178.7	-173.8	0	112.8	D207 S209 D242 W281 K284	D207-K286 HydrophobicContact CB-CG 4.37Å; D207-K286 WeakPolarHBondContact O-CA 3.46Å; D207-K286 WeakPolarHBondContact OD2-CE 3.38Å; D207-K286 WeakPolarHBondContact OD2-CG 3.44Å; S209-K286 PolarHBondContact OG-O 2.68Å; D242-K286 IonicContact OD2-NZ 3.54Å; D242-K286 PolarHBondContact OD2-NZ 3.07Å; W281-K286 HydrophobicContact CE3-CB 3.57Å; W281-K286 HydrophobicContact CE3-CD 4.07Å; W281-K286 HydrophobicContact CE3-CG 4.47Å; W281-K286 HydrophobicContact CH2-CD 4.46Å; W281-K286 HydrophobicContact CZ3-CB 3.88Å; W281-K286 HydrophobicContact CZ3-CD 3.5Å; W281-K286 HydrophobicContact CZ3-CG 4.36Å; W281-K286 CarbonylContact O-C 3.54Å; W281-K286 VanDerWaalsContact O-C 3.29Å; W281-K286 WeakPolarHBondContact O-CA 3.46Å; W281-K286 PolarHBondContact O-N 3.35Å; K284-K286 PolarHBondContact O-N 3.45Å
287	P	98.3	Very high	98.3	Very high	18 Å²	18	34.4 Å²	34.4	12%	0.117	17%	0.172	C	C	.	.			trans	-59.2	143.7	-167.5	25.7	-33.4	0	0	0	112.3	Y179 L208 S209 G285 A289	Y179-P287 HydrophobicContact CE1-CB 4.4Å; Y179-P287 HydrophobicContact CE1-CG 4.17Å; L208-P287 HydrophobicContact CD2-CG 3.62Å; S209-P287 PolarHBondContact N-O 3.48Å; S209-P287 PolarHBondContact OG-O 3.5Å; G285-P287 VanDerWaalsContact C-CD 3.41Å; G285-P287 WeakPolarHBondContact O-CD 3.46Å; P287-A289 PolarHBondContact O-N 2.94Å
288	V	98.8	Very high	98.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	109.2	177.6	-177.9	0	0	0	0	108.9	S209 L211 P244 I278 W281 G290 I291 C322	S209-V288 CarbonylContact O-C 3.54Å; S209-V288 WeakPolarHBondContact O-CA 3.29Å; S209-V288 WeakPolarHBondContact OG-CA 3.34Å; L211-V288 HydrophobicContact CB-CG1 3.73Å; P244-V288 HydrophobicContact CG-CG2 3.65Å; I278-V288 HydrophobicContact CB-CG2 4.48Å; I278-V288 HydrophobicContact CG1-CB 4.35Å; I278-V288 HydrophobicContact CG1-CG1 4.44Å; I278-V288 HydrophobicContact CG1-CG2 4.23Å; I278-V288 HydrophobicContact CG2-CB 4.44Å; W281-V288 HydrophobicContact CB-CG2 3.88Å; W281-V288 HydrophobicContact CG-CG2 4.46Å; V288-G290 VanDerWaalsContact CG1-O 3.26Å; V288-G290 WeakPolarHBondContact CG1-O 3.43Å; V288-I291 HydrophobicContact CG1-CG1 4.49Å; V288-C322 PolarHBondContact O-SG 2.94Å
289	A	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	-29.2	179.2	0	0	0	0	0	112.2	I175 F176 Y179 L208 S209 P287 A323	I175-A289 VanDerWaalsContact CG2-C 3.49Å; I175-A289 HydrophobicContact CG2-CB 3.83Å; I175-A289 VanDerWaalsContact CG2-O 3.28Å; I175-A289 WeakPolarHBondContact CG2-O 3.44Å; F176-A289 HydrophobicContact CD1-CB 3.77Å; F176-A289 HydrophobicContact CE1-CB 4.1Å; Y179-A289 HydrophobicContact CD1-CB 4.5Å; Y179-A289 HydrophobicContact CD2-CB 3.85Å; Y179-A289 HydrophobicContact CG-CB 3.84Å; L208-A289 HydrophobicContact CB-CB 4.29Å; L208-A289 HydrophobicContact CD1-CB 4.16Å; S209-A289 PolarHBondContact O-N 2.95Å; P287-A289 PolarHBondContact O-N 2.94Å; A289-A323 PolarHBondContact O-N 3.45Å
290	G	98.8	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.7	177.8	0	0	0	0	0	113.8	I210 L211 V288 A323	I210-G290 WeakPolarHBondContact CA-O 3.3Å; L211-G290 PolarHBondContact N-O 2.9Å; V288-G290 VanDerWaalsContact CG1-O 3.26Å; V288-G290 WeakPolarHBondContact CG1-O 3.43Å; G290-A323 CarbonylContact C-O 3.37Å; G290-A323 WeakPolarHBondContact CA-O 3.49Å
291	I	98.9	Very high	98.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.5	176.8	-61	168.1	0	0	0	107.1	L211 F213 V274 I278 V288 C322 A323 F324 H325	L211-I291 HydrophobicContact CB-CG1 4.12Å; L211-I291 HydrophobicContact CD2-CG1 4.35Å; L211-I291 HydrophobicContact CD2-CG2 3.91Å; L211-I291 WeakPolarHBondContact O-CA 3.37Å; F213-I291 HydrophobicContact CE2-CG2 3.75Å; F213-I291 HydrophobicContact CZ-CG2 4.28Å; V274-I291 HydrophobicContact CG1-CD1 4.37Å; I278-I291 HydrophobicContact CD1-CD1 4.03Å; V288-I291 HydrophobicContact CG1-CG1 4.49Å; I291-C322 HydrophobicContact CD1-CB 4.3Å; I291-C322 HydrophobicContact CG1-CB 4.25Å; I291-A323 PolarHBondContact N-O 3.07Å; I291-F324 HydrophobicContact CB-CD2 4.23Å; I291-F324 HydrophobicContact CG2-CD2 4.32Å; I291-F324 HydrophobicContact CG2-CE2 4.2Å; I291-H325 PolarHBondContact O-N 3.3Å
292	I	98.9	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.4	173.3	-173.1	174	0	0	0	110.9	F172 I210 L211 F213 H218 T227 H325 D327	F172-I292 HydrophobicContact CE1-CB 4.2Å; F172-I292 HydrophobicContact CE1-CD1 3.63Å; F172-I292 HydrophobicContact CE1-CG1 4.42Å; F172-I292 HydrophobicContact CE1-CG2 4.37Å; F172-I292 HydrophobicContact CZ-CD1 3.66Å; I210-I292 HydrophobicContact CG2-CB 4.2Å; I210-I292 HydrophobicContact CG2-CG2 3.72Å; L211-I292 PolarHBondContact O-N 3Å; F213-I292 WeakPolarHBondContact CD2-O 3.41Å; H218-I292 HydrophobicContact CB-CD1 3.83Å; H218-I292 WeakPolarHBondContact ND1-CD1 3.36Å; T227-I292 HydrophobicContact CG2-CG2 3.99Å; I292-H325 CarbonylContact C-O 3.54Å; I292-H325 VanDerWaalsContact CA-O 3.28Å; I292-H325 WeakPolarHBondContact CA-O 3.35Å; I292-H325 HydrophobicContact CB-CB 4.4Å; I292-H325 HydrophobicContact CG1-CB 4.5Å; I292-D327 HydrophobicContact CD1-CB 4.3Å; I292-D327 HydrophobicContact CG1-CB 4.32Å
293	I	98.9	Very high	98.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.1	177.2	-164.5	162.5	0	0	0	113.3	F213 F248 F309 F310 L313 F324 H325 V326 D327	F213-I293 HydrophobicContact CD1-CD1 4.49Å; F213-I293 HydrophobicContact CD2-CB 4.1Å; F213-I293 HydrophobicContact CD2-CD1 3.85Å; F213-I293 HydrophobicContact CD2-CG1 3.94Å; F213-I293 HydrophobicContact CE1-CD1 4.3Å; F213-I293 HydrophobicContact CE2-CB 4Å; F213-I293 HydrophobicContact CE2-CD1 3.64Å; F213-I293 HydrophobicContact CE2-CG1 4.06Å; F213-I293 HydrophobicContact CG-CD1 4.29Å; F213-I293 HydrophobicContact CZ-CD1 3.89Å; F248-I293 HydrophobicContact CD2-CD1 4.24Å; F248-I293 HydrophobicContact CE2-CD1 4.02Å; F248-I293 HydrophobicContact CE2-CG1 4.41Å; I293-F309 HydrophobicContact CD1-CE1 3.87Å; I293-F309 HydrophobicContact CD1-CZ 4.4Å; I293-F310 HydrophobicContact CD1-CD1 4.24Å; I293-F310 HydrophobicContact CD1-CE1 3.8Å; I293-F310 HydrophobicContact CG1-CE1 4.17Å; I293-L313 HydrophobicContact CD1-CD2 3.39Å; I293-L313 HydrophobicContact CG2-CD2 4.3Å; I293-F324 HydrophobicContact CG2-CE1 4.45Å; I293-F324 HydrophobicContact CG2-CE2 3.88Å; I293-F324 HydrophobicContact CG2-CZ 3.62Å; I293-H325 PolarHBondContact N-O 3.18Å; I293-V326 CarbonylContact O-C 3.55Å; I293-V326 WeakPolarHBondContact O-CA 3.31Å; I293-D327 PolarHBondContact O-N 2.98Å
294	E	98.9	Very high	98.5	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.028	9%	0.094	C	C	.	.			trans	-84.4	137.4	167.1	-68.9	161.2	87.4	0	0	110	G216 F217 H218 I296 Q297 A298 D327	G216-E294 VanDerWaalsContact CA-OE2 3.3Å; G216-E294 WeakPolarHBondContact CA-OE2 3.34Å; F217-E294 PolarHBondContact N-OE2 3.01Å; H218-E294 IonicContact CE1-OE2 2.84Å; E294-I296 PolarHBondContact O-N 3.19Å; E294-Q297 HydrophobicContact CB-CG 4.43Å; E294-A298 PolarHBondContact OE1-N 3.46Å; E294-D327 HydrophobicContact CG-CB 4.25Å
295	P	98.9	Very high	98.5	Very high	6 Å²	6	11.2 Å²	11.2	4%	0.039	8%	0.077	C	C	.	.	S	Bend	trans	-59.7	-30.1	172.4	-25.7	35	0	0	0	113.9	F310 V326 D327 E328 A341 W345	P295-F310 WeakPolarHBondContact O-CE2 3.5Å; P295-F310 WeakPolarHBondContact O-CZ 3.44Å; P295-V326 HydrophobicContact CG-CG1 3.61Å; P295-D327 VanDerWaalsContact CD-O 3.28Å; P295-D327 WeakPolarHBondContact CD-O 3.17Å; P295-E328 HydrophobicContact CG-CG 3.94Å; P295-A341 HydrophobicContact CB-CB 3.78Å; P295-A341 HydrophobicContact CG-CB 4.16Å; P295-W345 HydrophobicContact CB-CZ2 3.98Å; P295-W345 HydrophobicContact CG-CZ2 4.09Å
296	I	98.9	Very high	98.6	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.015	6%	0.061	C	C	.	.	S	Bend	trans	-141.3	116.6	169.4	-55.4	166.9	0	0	0	105.8	E294 A298 T331 T336 Q437 F440	E294-I296 PolarHBondContact O-N 3.19Å; I296-A298 PolarHBondContact O-N 2.82Å; I296-T331 HydrophobicContact CB-CG2 4.06Å; I296-T331 HydrophobicContact CG1-CG2 4.48Å; I296-T336 HydrophobicContact CD1-CG2 4.13Å; I296-Q437 HydrophobicContact CD1-CB 4.37Å; I296-F440 HydrophobicContact CB-CD1 4.46Å; I296-F440 HydrophobicContact CB-CE1 3.99Å; I296-F440 HydrophobicContact CD1-CD1 3.97Å; I296-F440 HydrophobicContact CD1-CE1 4.35Å; I296-F440 HydrophobicContact CD1-CG 4.49Å; I296-F440 HydrophobicContact CG2-CD1 4.08Å; I296-F440 HydrophobicContact CG2-CE1 3.62Å
297	Q	98.8	Very high	98.6	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.009	7%	0.069	C	C	.	.	B	Isolated β-bridge	trans	-67.3	118	-178.8	-69.2	-173.9	-31	0	0	110.1	M214 G216 F248 E294 D302 N303	M214-Q297 PolarHBondContact O-NE2 3.1Å; M214-Q297 PolarHBondContact O-OE1 3.24Å; G216-Q297 VanDerWaalsContact N-NE2 3.19Å; F248-Q297 HydrophobicContact CD1-CG 4.41Å; F248-Q297 HydrophobicContact CD2-CG 4.01Å; F248-Q297 HydrophobicContact CE1-CG 4.47Å; F248-Q297 HydrophobicContact CE2-CG 4.05Å; F248-Q297 VanDerWaalsContact CG-CD 3.48Å; F248-Q297 HydrophobicContact CG-CG 4.18Å; F248-Q297 HydrophobicContact CZ-CG 4.29Å; E294-Q297 HydrophobicContact CB-CG 4.43Å; Q297-D302 CarbonylContact O-C 3.27Å; Q297-D302 WeakPolarHBondContact O-CA 3.19Å; Q297-D302 PolarHBondContact O-N 3.13Å; Q297-N303 HydrophobicContact CB-CB 4.09Å; Q297-N303 PolarHBondContact N-O 2.96Å; Q297-N303 PolarHBondContact O-N 2.86Å; Q297-N303 PolarHBondContact OE1-ND2 2.8Å
298	A	98.3	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.086	C	C	.	.			trans	-86.4	-69.3	-171.3	0	0	0	0	0	113	E294 I296 G300 G301 D302 Q330 F440 C468	E294-A298 PolarHBondContact OE1-N 3.46Å; I296-A298 PolarHBondContact O-N 2.82Å; A298-G300 PolarHBondContact O-N 3.38Å; A298-G301 PolarHBondContact O-N 2.76Å; A298-G301 VanDerWaalsContact O-N 3.1Å; A298-D302 PolarHBondContact O-N 3.29Å; A298-Q330 HydrophobicContact CB-CB 4.42Å; A298-Q330 HydrophobicContact CB-CG 4.2Å; A298-Q330 VanDerWaalsContact CB-NE2 3.27Å; A298-Q330 VanDerWaalsContact CB-OE1 3.3Å; A298-F440 HydrophobicContact CB-CZ 4.11Å; A298-C468 WeakPolarHBondContact O-CB 3.03Å
299	E	98.6	Very high	98.6	Very high	19 Å²	19	14 Å²	14	9%	0.089	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.5	-173.2	-65	-54.2	130.8	0	0	112.8	F217 G301 G469 R474	F217-E299 HydrophobicContact CB-CB 3.7Å; F217-E299 HydrophobicContact CB-CG 3.83Å; F217-E299 HydrophobicContact CD1-CG 3.76Å; F217-E299 HydrophobicContact CD2-CB 4.05Å; F217-E299 HydrophobicContact CD2-CG 3.86Å; F217-E299 HydrophobicContact CE1-CG 4.3Å; F217-E299 HydrophobicContact CE2-CG 4.37Å; F217-E299 HydrophobicContact CG-CB 3.86Å; F217-E299 HydrophobicContact CG-CG 3.53Å; E299-G301 PolarHBondContact O-N 3.07Å; E299-G469 PolarHBondContact O-N 3.14Å; E299-R474 VanDerWaalsContact CD-NH1 3.26Å; E299-R474 IonicContact OE1-CZ 3.99Å; E299-R474 IonicContact OE1-NH1 3.47Å; E299-R474 PolarHBondContact OE1-NH1 2.89Å; E299-R474 IonicContact OE1-NH2 3.51Å; E299-R474 PolarHBondContact OE1-NH2 2.89Å; E299-R474 IonicContact OE2-CZ 2.74Å; E299-R474 IonicContact OE2-NH1 3.27Å; E299-R474 PolarHBondContact OE2-NH1 3.26Å; E299-R474 IonicContact OE2-NH2 3.02Å; E299-R474 PolarHBondContact OE2-NH2 2.82Å
300	G	97.5	Very high	98.6	Very high	16 Å²	16	14.1 Å²	14.1	17%	0.165	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.7	176.9	0	0	0	0	0	115.4	G215 A298 N303	G215-G300 WeakPolarHBondContact O-CA 3.45Å; G215-G300 PolarHBondContact O-N 3.18Å; A298-G300 PolarHBondContact O-N 3.38Å; G300-N303 PolarHBondContact O-ND2 2.77Å
301	G	97.7	Very high	98.6	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.031	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.7	36.3	174.4	0	0	0	0	0	114.8	A298 E299 N303 R435	A298-G301 PolarHBondContact O-N 2.76Å; A298-G301 VanDerWaalsContact O-N 3.1Å; E299-G301 PolarHBondContact O-N 3.07Å; G301-N303 VanDerWaalsContact C-N 3.35Å; G301-N303 PolarHBondContact O-N 3.42Å; G301-R435 PolarHBondContact O-NH2 2.92Å
302	D	98.7	Very high	98.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.			trans	50.3	53.4	179.7	-76.5	-122.5	0	0	0	111.6	Q297 A298 H304 R435 A442 C468 R476	Q297-D302 CarbonylContact O-C 3.27Å; Q297-D302 WeakPolarHBondContact O-CA 3.19Å; Q297-D302 PolarHBondContact O-N 3.13Å; A298-D302 PolarHBondContact O-N 3.29Å; D302-H304 PolarHBondContact O-CD2 2.94Å; D302-H304 VanDerWaalsContact O-CD2 3.24Å; D302-R435 PolarHBondContact O-NE 2.99Å; D302-A442 HydrophobicContact CB-CB 3.43Å; D302-A442 VanDerWaalsContact CB-CB 3.43Å; D302-C468 PolarHBondContact OD2-SG 3.22Å; D302-R476 IonicContact OD1-CZ 2.8Å; D302-R476 IonicContact OD1-NH1 2.63Å; D302-R476 PolarHBondContact OD1-NH1 2.81Å; D302-R476 IonicContact OD1-NH2 3.6Å; D302-R476 PolarHBondContact OD1-NH2 3.35Å; D302-R476 IonicContact OD2-CZ 3.11Å; D302-R476 IonicContact OD2-NH1 3.23Å; D302-R476 IonicContact OD2-NH2 3.36Å; D302-R476 PolarHBondContact OD2-NH2 2.65Å
303	N	98.8	Very high	98.5	Very high	31 Å²	31	21.2 Å²	21.2	17%	0.166	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-82.3	124.2	179.8	-52.7	-52	0	0	0	109.3	F248 Q297 G300 G301	F248-N303 HydrophobicContact CD1-CB 3.63Å; F248-N303 HydrophobicContact CE1-CB 3.56Å; Q297-N303 HydrophobicContact CB-CB 4.09Å; Q297-N303 PolarHBondContact N-O 2.96Å; Q297-N303 PolarHBondContact O-N 2.86Å; Q297-N303 PolarHBondContact OE1-ND2 2.8Å; G300-N303 PolarHBondContact O-ND2 2.77Å; G301-N303 VanDerWaalsContact C-N 3.35Å; G301-N303 PolarHBondContact O-N 3.42Å
304	H	98.8	Very high	98.5	Very high	20 Å²	20	21.3 Å²	21.3	9%	0.093	12%	0.119	C	C	.	.			trans	-103.3	153.6	176.7	-68.3	-109.5	0	0	0	110.5	L251 D302	L251-H304 WeakPolarHBondContact CD1-O 3.47Å; L251-H304 WeakPolarHBondContact CG-O 3.09Å; D302-H304 PolarHBondContact O-CD2 2.94Å; D302-H304 VanDerWaalsContact O-CD2 3.24Å
305	A	98.5	Very high	98.4	Very high	15 Å²	15	24.3 Å²	24.3	12%	0.124	14%	0.135	C	C	.	.			trans	-135.6	162	165.5	0	0	0	0	0	109	F248 P249 F309 F310	F248-A305 HydrophobicContact CE1-CB 4.2Å; F248-A305 HydrophobicContact CZ-CB 3.8Å; P249-A305 HydrophobicContact CG-CB 4.25Å; A305-F309 HydrophobicContact CB-CB 4.01Å; A305-F309 HydrophobicContact CB-CD1 3.48Å; A305-F309 VanDerWaalsContact CB-CD1 3.48Å; A305-F309 HydrophobicContact CB-CE1 4.15Å; A305-F309 HydrophobicContact CB-CG 3.85Å; A305-F310 HydrophobicContact CB-CE2 3.88Å; A305-F310 HydrophobicContact CB-CZ 4.05Å
306	S	98.5	Very high	98.4	Very high	30 Å²	30	24.9 Å²	24.9	21%	0.21	14%	0.137	C	C	.	.			trans	-67.1	155	179.2	78.5	0	0	0	0	111.7	E266 D308 F309 F310	E266-S306 WeakPolarHBondContact OE1-CB 3.15Å; E266-S306 PolarHBondContact OE1-N 3.27Å; E266-S306 PolarHBondContact OE1-OG 3.45Å; E266-S306 WeakPolarHBondContact OE2-CB 3.38Å; E266-S306 PolarHBondContact OE2-OG 3.01Å; S306-D308 PolarHBondContact O-N 2.82Å; S306-D308 PolarHBondContact OG-N 2.82Å; S306-F309 WeakPolarHBondContact O-CB 3.38Å; S306-F309 PolarHBondContact O-N 3.45Å; S306-F309 VanDerWaalsContact O-N 3.13Å; S306-F309 PolarHBondContact OG-N 2.73Å; S306-F309 VanDerWaalsContact OG-N 3.08Å; S306-F310 VanDerWaalsContact O-CD2 3.22Å; S306-F310 WeakPolarHBondContact O-CD2 3.23Å; S306-F310 PolarHBondContact O-N 3.13Å
307	P	98.4	Very high	98.3	Very high	54 Å²	54	24.7 Å²	24.7	35%	0.351	14%	0.137	S	C	.	.	H	α-helix	trans	-54.2	-31.8	168.1	-29	37.6	0	0	0	113.6	F310 R311	P307-F310 PolarHBondContact O-N 3Å; P307-R311 WeakPolarHBondContact O-CG 3.33Å; P307-R311 PolarHBondContact O-N 2.91Å
308	D	98	Very high	98.3	Very high	87 Å²	87	29.7 Å²	29.7	47%	0.465	16%	0.155	S	C	.	.	H	α-helix	trans	-65.7	-38.9	177	-77.2	-48.3	0	0	0	112.4	S306 F310 R311 N312	S306-D308 PolarHBondContact O-N 2.82Å; S306-D308 PolarHBondContact OG-N 2.82Å; D308-F310 VanDerWaalsContact C-N 3.35Å; D308-F310 PolarHBondContact O-N 3.19Å; D308-R311 PolarHBondContact O-N 3.48Å; D308-R311 IonicContact OD1-CZ 2.79Å; D308-R311 VanDerWaalsContact OD1-CZ 3.29Å; D308-R311 IonicContact OD1-NE 3.88Å; D308-R311 PolarHBondContact OD1-NE 3.12Å; D308-R311 IonicContact OD1-NH2 3.01Å; D308-R311 PolarHBondContact OD1-NH2 3.44Å; D308-R311 IonicContact OD2-NH2 3.89Å; D308-R311 PolarHBondContact OD2-NH2 2.91Å; D308-N312 WeakPolarHBondContact O-CB 3.44Å; D308-N312 PolarHBondContact O-N 3.4Å; D308-N312 PolarHBondContact O-ND2 3.41Å
309	F	98.6	Very high	98.2	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-49.5	174	169.6	-96.6	0	0	0	111.3	F213 F248 P249 E266 C269 L270 I293 A305 S306 N312 L313	F213-F309 HydrophobicContact CE1-CZ 4.3Å; F248-F309 HydrophobicContact CE2-CE1 4.21Å; P249-F309 HydrophobicContact CG-CD1 4.49Å; P249-F309 HydrophobicContact CG-CD2 3.67Å; P249-F309 HydrophobicContact CG-CE1 4.32Å; P249-F309 HydrophobicContact CG-CE2 3.46Å; P249-F309 VanDerWaalsContact CG-CE2 3.46Å; P249-F309 HydrophobicContact CG-CG 4.19Å; P249-F309 HydrophobicContact CG-CZ 3.82Å; E266-F309 HydrophobicContact CB-CB 4.38Å; E266-F309 HydrophobicContact CB-CD2 4.11Å; E266-F309 HydrophobicContact CG-CB 4.2Å; E266-F309 HydrophobicContact CG-CD2 4.29Å; C269-F309 HydrophobicContact CB-CE2 4.18Å; L270-F309 HydrophobicContact CD1-CD2 3.9Å; L270-F309 HydrophobicContact CD1-CE2 4.46Å; L270-F309 HydrophobicContact CD2-CD2 3.8Å; L270-F309 HydrophobicContact CD2-CE2 3.65Å; L270-F309 HydrophobicContact CD2-CZ 4.38Å; L270-F309 HydrophobicContact CG-CD2 3.69Å; L270-F309 HydrophobicContact CG-CE2 3.75Å; I293-F309 HydrophobicContact CD1-CE1 3.87Å; I293-F309 HydrophobicContact CD1-CZ 4.4Å; A305-F309 HydrophobicContact CB-CB 4.01Å; A305-F309 HydrophobicContact CB-CD1 3.48Å; A305-F309 VanDerWaalsContact CB-CD1 3.48Å; A305-F309 HydrophobicContact CB-CE1 4.15Å; A305-F309 HydrophobicContact CB-CG 3.85Å; S306-F309 WeakPolarHBondContact O-CB 3.38Å; S306-F309 PolarHBondContact O-N 3.45Å; S306-F309 VanDerWaalsContact O-N 3.13Å; S306-F309 PolarHBondContact OG-N 2.73Å; S306-F309 VanDerWaalsContact OG-N 3.08Å; F309-N312 PolarHBondContact O-N 2.88Å; F309-L313 HydrophobicContact CE1-CD2 4.25Å; F309-L313 HydrophobicContact CZ-CD2 4.34Å; F309-L313 WeakPolarHBondContact O-CB 3.19Å; F309-L313 PolarHBondContact O-N 2.73Å
310	F	98.6	Very high	98.2	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.013	19%	0.186	C	C	.	.	H	α-helix	trans	-67.7	-39.4	-179.3	-64.7	-73.9	0	0	0	112.8	F248 I293 P295 A305 S306 P307 D308 N312 L313 R314 W345	F248-F310 HydrophobicContact CE2-CE1 4.46Å; F248-F310 HydrophobicContact CE2-CZ 4.33Å; F248-F310 HydrophobicContact CZ-CZ 4.27Å; I293-F310 HydrophobicContact CD1-CD1 4.24Å; I293-F310 HydrophobicContact CD1-CE1 3.8Å; I293-F310 HydrophobicContact CG1-CE1 4.17Å; P295-F310 WeakPolarHBondContact O-CE2 3.5Å; P295-F310 WeakPolarHBondContact O-CZ 3.44Å; A305-F310 HydrophobicContact CB-CE2 3.88Å; A305-F310 HydrophobicContact CB-CZ 4.05Å; S306-F310 VanDerWaalsContact O-CD2 3.22Å; S306-F310 WeakPolarHBondContact O-CD2 3.23Å; S306-F310 PolarHBondContact O-N 3.13Å; P307-F310 PolarHBondContact O-N 3Å; D308-F310 VanDerWaalsContact C-N 3.35Å; D308-F310 PolarHBondContact O-N 3.19Å; F310-N312 VanDerWaalsContact C-N 3.34Å; F310-N312 PolarHBondContact O-N 2.81Å; F310-L313 PolarHBondContact O-N 3.44Å; F310-R314 WeakPolarHBondContact O-CB 3.46Å; F310-R314 PolarHBondContact O-N 2.91Å; F310-W345 HydrophobicContact CB-CD2 3.59Å; F310-W345 HydrophobicContact CB-CE3 4.07Å; F310-W345 HydrophobicContact CB-CG 3.99Å; F310-W345 HydrophobicContact CB-CH2 4.2Å; F310-W345 HydrophobicContact CB-CZ2 3.72Å; F310-W345 HydrophobicContact CB-CZ3 4.36Å; F310-W345 AromaticContact CD1-CE2 3.91Å; F310-W345 AromaticContact CD1-CH2 4Å; F310-W345 HydrophobicContact CD1-CH2 4Å; F310-W345 AromaticContact CD1-CZ2 3.43Å; F310-W345 HydrophobicContact CD1-CZ2 3.43Å; F310-W345 VanDerWaalsContact CD1-CZ2 3.43Å; F310-W345 AromaticContact CD2-CD1 3.96Å; F310-W345 AromaticContact CD2-CE2 3.73Å; F310-W345 HydrophobicContact CD2-CZ2 4.05Å; F310-W345 AromaticContact CD2-NE1 3.26Å; F310-W345 VanDerWaalsContact CD2-NE1 3.26Å; F310-W345 HydrophobicContact CE1-CZ2 4.01Å; F310-W345 AromaticContact CE2-NE1 3.95Å; F310-W345 HydrophobicContact CG-CD2 4.15Å; F310-W345 AromaticContact CG-CE2 3.4Å; F310-W345 HydrophobicContact CG-CH2 4.24Å; F310-W345 AromaticContact CG-CZ2 3.46Å; F310-W345 HydrophobicContact CG-CZ2 3.46Å; F310-W345 VanDerWaalsContact CG-CZ2 3.46Å; F310-W345 AromaticContact CG-NE1 3.46Å
311	R	98.4	Very high	98.2	Very high	72 Å²	72	36.7 Å²	36.7	27%	0.272	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-46.1	173.5	-75.8	-170.4	-75.6	-92.8	6.6	111.7	P307 D308 R314 N315 W345 M347	P307-R311 WeakPolarHBondContact O-CG 3.33Å; P307-R311 PolarHBondContact O-N 2.91Å; D308-R311 PolarHBondContact O-N 3.48Å; D308-R311 IonicContact OD1-CZ 2.79Å; D308-R311 VanDerWaalsContact OD1-CZ 3.29Å; D308-R311 IonicContact OD1-NE 3.88Å; D308-R311 PolarHBondContact OD1-NE 3.12Å; D308-R311 IonicContact OD1-NH2 3.01Å; D308-R311 PolarHBondContact OD1-NH2 3.44Å; D308-R311 IonicContact OD2-NH2 3.89Å; D308-R311 PolarHBondContact OD2-NH2 2.91Å; R311-R314 PolarHBondContact O-N 3.27Å; R311-N315 VanDerWaalsContact O-CG 3.28Å; R311-N315 PolarHBondContact O-N 3.01Å; R311-N315 VanDerWaalsContact O-N 3.09Å; R311-N315 PolarHBondContact O-ND2 2.95Å; R311-W345 HydrophobicContact CG-CB 4.5Å; R311-W345 PolarHBondContact NH1-O 3.03Å; R311-M347 HydrophobicContact CB-SD 4.18Å; R311-M347 HydrophobicContact CG-CG 3.83Å; R311-M347 HydrophobicContact CG-SD 3.67Å
312	N	98.3	Very high	98.2	Very high	77 Å²	77	36.7 Å²	36.7	41%	0.412	19%	0.185	S	C	.	.	H	α-helix	trans	-69.1	-40.6	179	-73.6	-45	0	0	0	112	L270 D308 F309 F310 R314 N315 I316	L270-N312 HydrophobicContact CD1-CB 3.6Å; L270-N312 HydrophobicContact CD2-CB 4.42Å; D308-N312 WeakPolarHBondContact O-CB 3.44Å; D308-N312 PolarHBondContact O-N 3.4Å; D308-N312 PolarHBondContact O-ND2 3.41Å; F309-N312 PolarHBondContact O-N 2.88Å; F310-N312 VanDerWaalsContact C-N 3.34Å; F310-N312 PolarHBondContact O-N 2.81Å; N312-R314 VanDerWaalsContact C-N 3.33Å; N312-R314 PolarHBondContact O-N 3.46Å; N312-N315 WeakPolarHBondContact O-CB 3.26Å; N312-N315 PolarHBondContact O-N 3.16Å; N312-N315 VanDerWaalsContact O-N 3.12Å; N312-I316 WeakPolarHBondContact O-CG1 3.47Å; N312-I316 PolarHBondContact O-N 3.31Å
313	L	98.5	Very high	98.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-42.6	174.8	-176.6	62.1	0	0	0	112	F213 L270 V274 I293 F309 F310 N315 I316 S317 F324	F213-L313 HydrophobicContact CE1-CD2 4.48Å; F213-L313 HydrophobicContact CE2-CD2 4.05Å; F213-L313 HydrophobicContact CZ-CD1 3.95Å; F213-L313 HydrophobicContact CZ-CD2 3.6Å; F213-L313 HydrophobicContact CZ-CG 4.44Å; L270-L313 HydrophobicContact CD2-CB 3.74Å; L270-L313 HydrophobicContact CD2-CD1 4.15Å; V274-L313 HydrophobicContact CB-CD1 4.4Å; V274-L313 HydrophobicContact CG1-CD1 3.8Å; V274-L313 HydrophobicContact CG2-CD1 4.11Å; I293-L313 HydrophobicContact CD1-CD2 3.39Å; I293-L313 HydrophobicContact CG2-CD2 4.3Å; F309-L313 HydrophobicContact CE1-CD2 4.25Å; F309-L313 HydrophobicContact CZ-CD2 4.34Å; F309-L313 WeakPolarHBondContact O-CB 3.19Å; F309-L313 PolarHBondContact O-N 2.73Å; F310-L313 PolarHBondContact O-N 3.44Å; L313-N315 VanDerWaalsContact C-N 3.29Å; L313-N315 PolarHBondContact O-N 3.24Å; L313-I316 PolarHBondContact O-N 3.01Å; L313-S317 PolarHBondContact O-N 2.61Å; L313-F324 HydrophobicContact CB-CE2 4.44Å; L313-F324 HydrophobicContact CB-CZ 4.47Å; L313-F324 HydrophobicContact CD2-CE2 3.68Å; L313-F324 HydrophobicContact CD2-CZ 3.93Å; L313-F324 HydrophobicContact CG-CE2 3.63Å; L313-F324 HydrophobicContact CG-CZ 4.06Å
314	R	98.1	Very high	98.2	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.011	18%	0.177	C	C	.	.	H	α-helix	trans	-58.2	-41.9	173.7	170.7	60.9	-164.9	130.1	-2.8	111.5	F310 R311 N312 S317 R318 F324 M347 D349 E352	F310-R314 WeakPolarHBondContact O-CB 3.46Å; F310-R314 PolarHBondContact O-N 2.91Å; R311-R314 PolarHBondContact O-N 3.27Å; N312-R314 VanDerWaalsContact C-N 3.33Å; N312-R314 PolarHBondContact O-N 3.46Å; R314-S317 WeakPolarHBondContact O-CB 3.08Å; R314-S317 PolarHBondContact O-N 3.48Å; R314-R318 PolarHBondContact O-N 3.23Å; R314-R318 VanDerWaalsContact O-N 3.11Å; R314-F324 HydrophobicContact CB-CD1 4.14Å; R314-F324 HydrophobicContact CB-CE1 4Å; R314-F324 HydrophobicContact CB-CZ 4.45Å; R314-F324 HydrophobicContact CG-CD1 4.38Å; R314-M347 HydrophobicContact CB-CE 4.19Å; R314-M347 HydrophobicContact CB-SD 4.2Å; R314-M347 HydrophobicContact CG-CE 3.62Å; R314-M347 HydrophobicContact CG-SD 4.04Å; R314-D349 IonicContact CZ-OD1 3.51Å; R314-D349 IonicContact CZ-OD2 2.82Å; R314-D349 PolarHBondContact NE-O 2.73Å; R314-D349 IonicContact NE-OD1 2.63Å; R314-D349 IonicContact NE-OD2 3.29Å; R314-D349 VanDerWaalsContact NH2-CG 3.29Å; R314-D349 IonicContact NH2-OD1 3.31Å; R314-D349 PolarHBondContact NH2-OD1 2.96Å; R314-D349 VanDerWaalsContact NH2-OD1 3.11Å; R314-D349 IonicContact NH2-OD2 3.67Å; R314-D349 PolarHBondContact NH2-OD2 3.29Å; R314-E352 IonicContact CZ-OE1 3.81Å; R314-E352 VanDerWaalsContact CZ-OE1 3.23Å; R314-E352 IonicContact CZ-OE2 2.81Å; R314-E352 IonicContact NH1-OE1 3.51Å; R314-E352 PolarHBondContact NH1-OE1 2.87Å; R314-E352 IonicContact NH1-OE2 3.17Å; R314-E352 PolarHBondContact NH1-OE2 3.01Å; R314-E352 IonicContact NH2-OE1 3.21Å; R314-E352 PolarHBondContact NH2-OE1 2.95Å; R314-E352 IonicContact NH2-OE2 2.84Å
315	N	97.5	Very high	98.2	Very high	69 Å²	69	34.3 Å²	34.3	37%	0.369	17%	0.173	S	C	.	.	H	α-helix	trans	-66.1	-40.5	176.5	-69	-25.6	0	0	0	112.5	R311 N312 L313 R318 K319	R311-N315 VanDerWaalsContact O-CG 3.28Å; R311-N315 PolarHBondContact O-N 3.01Å; R311-N315 VanDerWaalsContact O-N 3.09Å; R311-N315 PolarHBondContact O-ND2 2.95Å; N312-N315 WeakPolarHBondContact O-CB 3.26Å; N312-N315 PolarHBondContact O-N 3.16Å; N312-N315 VanDerWaalsContact O-N 3.12Å; L313-N315 VanDerWaalsContact C-N 3.29Å; L313-N315 PolarHBondContact O-N 3.24Å; N315-R318 PolarHBondContact O-N 2.96Å; N315-R318 PolarHBondContact OD1-NH1 2.8Å; N315-K319 WeakPolarHBondContact O-CB 3.35Å; N315-K319 PolarHBondContact O-N 3.03Å
316	I	97.9	Very high	98.3	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.087	17%	0.167	C	C	.	.	H	α-helix	trans	-60.5	-46.7	173.7	-68	169.1	0	0	0	110.3	L270 V274 E275 I278 N312 L313 R318 K319 H320	L270-I316 HydrophobicContact CB-CD1 3.98Å; L270-I316 HydrophobicContact CD2-CD1 3.95Å; V274-I316 HydrophobicContact CG1-CG2 4.07Å; E275-I316 HydrophobicContact CB-CG2 4.44Å; I278-I316 HydrophobicContact CD1-CG2 3.98Å; N312-I316 WeakPolarHBondContact O-CG1 3.47Å; N312-I316 PolarHBondContact O-N 3.31Å; L313-I316 PolarHBondContact O-N 3.01Å; I316-R318 VanDerWaalsContact C-N 3.31Å; I316-R318 PolarHBondContact O-N 3.28Å; I316-K319 WeakPolarHBondContact O-CB 3.36Å; I316-K319 PolarHBondContact O-N 3.36Å; I316-H320 PolarHBondContact O-CD2 3.37Å; I316-H320 PolarHBondContact O-N 2.8Å; I316-H320 VanDerWaalsContact O-N 3.13Å
317	S	98.3	Very high	98.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-53.9	-49.2	176.9	-162	0	0	0	0	111.3	L313 R314 H320 G321 C322 F324	L313-S317 PolarHBondContact O-N 2.61Å; R314-S317 WeakPolarHBondContact O-CB 3.08Å; R314-S317 PolarHBondContact O-N 3.48Å; S317-H320 PolarHBondContact O-N 2.88Å; S317-G321 PolarHBondContact O-N 2.93Å; S317-C322 CarbonylContact C-O 3.54Å; S317-C322 PolarHBondContact O-N 3.3Å; S317-C322 PolarHBondContact OG-O 2.8Å; S317-F324 PolarHBondContact OG-N 2.86Å
318	R	97.8	Very high	98.3	Very high	106 Å²	106	30 Å²	30	40%	0.4	14%	0.142	S	C	.	.	H	α-helix	trans	-63.1	-45.9	178.9	-165.9	-174.4	-57.8	106.4	-2.8	112.1	R314 N315 I316 H320 G321 D349	R314-R318 PolarHBondContact O-N 3.23Å; R314-R318 VanDerWaalsContact O-N 3.11Å; N315-R318 PolarHBondContact O-N 2.96Å; N315-R318 PolarHBondContact OD1-NH1 2.8Å; I316-R318 VanDerWaalsContact C-N 3.31Å; I316-R318 PolarHBondContact O-N 3.28Å; R318-H320 PolarHBondContact O-N 3.22Å; R318-G321 PolarHBondContact O-N 2.7Å; R318-G321 VanDerWaalsContact O-N 3.16Å; R318-D349 IonicContact CZ-OD2 3.84Å; R318-D349 IonicContact NE-OD2 3.43Å; R318-D349 PolarHBondContact NE-OD2 2.84Å; R318-D349 IonicContact NH2-OD2 2.7Å; R318-D349 PolarHBondContact NH2-OD2 3.01Å
319	K	97.6	Very high	98.3	Very high	142 Å²	142	26.6 Å²	26.6	62%	0.617	13%	0.125	S	C	*	.	H	α-helix	trans	-54.7	-40.2	179.6	179.6	-175.4	178.3	-173.1	0	112	E275 N315 I316	E275-K319 WeakPolarHBondContact OE1-CE 3.4Å; E275-K319 IonicContact OE1-NZ 2.64Å; E275-K319 PolarHBondContact OE1-NZ 3.46Å; E275-K319 IonicContact OE2-NZ 3.43Å; E275-K319 PolarHBondContact OE2-NZ 2.74Å; N315-K319 WeakPolarHBondContact O-CB 3.35Å; N315-K319 PolarHBondContact O-N 3.03Å; I316-K319 WeakPolarHBondContact O-CB 3.36Å; I316-K319 PolarHBondContact O-N 3.36Å
320	H	97.5	Very high	98.4	Very high	26 Å²	26	27 Å²	27	12%	0.12	13%	0.127	C	C	.	.	H	α-helix	trans	-92.9	-3.5	-177	-73.6	-77.4	0	0	0	114.8	E275 I278 R282 I316 S317 R318 C322	E275-H320 WeakPolarHBondContact CG-NE2 3.36Å; E275-H320 IonicContact OE1-CD2 3.61Å; E275-H320 IonicContact OE1-CE1 3.86Å; E275-H320 PolarHBondContact OE1-CE1 2.8Å; E275-H320 IonicContact OE1-NE2 2.84Å; E275-H320 PolarHBondContact OE1-NE2 2.83Å; I278-H320 HydrophobicContact CD1-CB 4.41Å; I278-H320 HydrophobicContact CG2-CB 3.8Å; R282-H320 PolarHBondContact NH2-O 3.33Å; R282-H320 VanDerWaalsContact NH2-O 3.09Å; I316-H320 PolarHBondContact O-CD2 3.37Å; I316-H320 PolarHBondContact O-N 2.8Å; I316-H320 VanDerWaalsContact O-N 3.13Å; S317-H320 PolarHBondContact O-N 2.88Å; R318-H320 PolarHBondContact O-N 3.22Å; H320-C322 VanDerWaalsContact C-N 3.33Å
321	G	97.4	Very high	98.4	Very high	15 Å²	15	26.9 Å²	26.9	16%	0.155	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	30	-176.5	0	0	0	0	0	113.1	W178 S317 R318	W178-G321 WeakPolarHBondContact CH2-O 3.3Å; S317-G321 PolarHBondContact O-N 2.93Å; R318-G321 PolarHBondContact O-N 2.7Å; R318-G321 VanDerWaalsContact O-N 3.16Å
322	C	98.4	Very high	98.4	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.02	12%	0.115	C	C	.	.			trans	-91.3	138.9	171.6	-55	0	0	0	0	109.2	V288 I291 S317 H320	V288-C322 PolarHBondContact O-SG 2.94Å; I291-C322 HydrophobicContact CD1-CB 4.3Å; I291-C322 HydrophobicContact CG1-CB 4.25Å; S317-C322 CarbonylContact C-O 3.54Å; S317-C322 PolarHBondContact O-N 3.3Å; S317-C322 PolarHBondContact OG-O 2.8Å; H320-C322 VanDerWaalsContact C-N 3.33Å
323	A	98.7	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.1	170.9	0	0	0	0	0	110.6	I175 W178 A289 G290 I291 E352 L371	I175-A323 HydrophobicContact CB-CB 4.34Å; I175-A323 HydrophobicContact CD1-CB 4.07Å; I175-A323 HydrophobicContact CG1-CB 3.72Å; I175-A323 HydrophobicContact CG2-CB 3.84Å; W178-A323 HydrophobicContact CE3-CB 4.25Å; W178-A323 HydrophobicContact CZ3-CB 3.97Å; A289-A323 PolarHBondContact O-N 3.45Å; G290-A323 CarbonylContact C-O 3.37Å; G290-A323 WeakPolarHBondContact CA-O 3.49Å; I291-A323 PolarHBondContact N-O 3.07Å; A323-E352 HydrophobicContact CB-CB 4.14Å; A323-E352 HydrophobicContact CB-CG 4.32Å; A323-L371 HydrophobicContact CB-CD2 4.01Å
324	F	98.9	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	111.6	175.8	-161.8	-121.7	0	0	0	110.6	I291 I293 L313 R314 S317 V326 W345 P350 A351 E352 I353	I291-F324 HydrophobicContact CB-CD2 4.23Å; I291-F324 HydrophobicContact CG2-CD2 4.32Å; I291-F324 HydrophobicContact CG2-CE2 4.2Å; I293-F324 HydrophobicContact CG2-CE1 4.45Å; I293-F324 HydrophobicContact CG2-CE2 3.88Å; I293-F324 HydrophobicContact CG2-CZ 3.62Å; L313-F324 HydrophobicContact CB-CE2 4.44Å; L313-F324 HydrophobicContact CB-CZ 4.47Å; L313-F324 HydrophobicContact CD2-CE2 3.68Å; L313-F324 HydrophobicContact CD2-CZ 3.93Å; L313-F324 HydrophobicContact CG-CE2 3.63Å; L313-F324 HydrophobicContact CG-CZ 4.06Å; R314-F324 HydrophobicContact CB-CD1 4.14Å; R314-F324 HydrophobicContact CB-CE1 4Å; R314-F324 HydrophobicContact CB-CZ 4.45Å; R314-F324 HydrophobicContact CG-CD1 4.38Å; S317-F324 PolarHBondContact OG-N 2.86Å; F324-V326 HydrophobicContact CD1-CG2 3.89Å; F324-V326 HydrophobicContact CE1-CG2 3.69Å; F324-V326 HydrophobicContact CZ-CG2 4.48Å; F324-W345 HydrophobicContact CE1-CH2 4.18Å; F324-W345 AromaticContact CE1-CZ3 3.86Å; F324-W345 HydrophobicContact CE1-CZ3 3.86Å; F324-P350 VanDerWaalsContact CD1-O 3.29Å; F324-P350 WeakPolarHBondContact CD1-O 3.38Å; F324-A351 HydrophobicContact CD1-CB 4.26Å; F324-E352 VanDerWaalsContact CB-OE2 3.32Å; F324-E352 WeakPolarHBondContact CB-OE2 3.23Å; F324-E352 PolarHBondContact N-OE2 3.32Å; F324-E352 PolarHBondContact O-N 2.9Å; F324-I353 PolarHBondContact O-N 3.5Å; F324-I353 VanDerWaalsContact O-N 3.09Å
325	H	98.9	Very high	98.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	110.9	-178.2	178.3	-170.7	0	0	0	110	N168 A171 F172 I175 I291 I292 I293 I353 S355	N168-H325 PolarHBondContact OD1-CE1 3.34Å; N168-H325 VanDerWaalsContact OD1-CE1 3.23Å; N168-H325 PolarHBondContact OD1-NE2 3.21Å; A171-H325 VanDerWaalsContact CB-CE1 3.48Å; A171-H325 WeakPolarHBondContact CB-CE1 3.28Å; F172-H325 AromaticContact CD1-ND1 3.94Å; F172-H325 AromaticContact CE1-CE1 3.92Å; F172-H325 AromaticContact CE1-ND1 3.61Å; I175-H325 HydrophobicContact CD1-CB 4.04Å; I291-H325 PolarHBondContact O-N 3.3Å; I292-H325 CarbonylContact C-O 3.54Å; I292-H325 VanDerWaalsContact CA-O 3.28Å; I292-H325 WeakPolarHBondContact CA-O 3.35Å; I292-H325 HydrophobicContact CB-CB 4.4Å; I292-H325 HydrophobicContact CG1-CB 4.5Å; I293-H325 PolarHBondContact N-O 3.18Å; H325-I353 WeakPolarHBondContact CA-O 3.48Å; H325-I353 HydrophobicContact CB-CB 4.33Å; H325-S355 WeakPolarHBondContact NE2-CB 3.13Å; H325-S355 PolarHBondContact NE2-OG 2.63Å
326	V	98.9	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.2	176.2	-177.9	0	0	0	0	109.6	I293 P295 F324 E328 H342 W345 A351 I353 V354 S355	I293-V326 CarbonylContact O-C 3.55Å; I293-V326 WeakPolarHBondContact O-CA 3.31Å; P295-V326 HydrophobicContact CG-CG1 3.61Å; F324-V326 HydrophobicContact CD1-CG2 3.89Å; F324-V326 HydrophobicContact CE1-CG2 3.69Å; F324-V326 HydrophobicContact CZ-CG2 4.48Å; V326-E328 HydrophobicContact CG1-CG 3.8Å; V326-E328 PolarHBondContact O-N 2.58Å; V326-H342 HydrophobicContact CG1-CB 4.34Å; V326-W345 HydrophobicContact CB-CH2 4.44Å; V326-W345 HydrophobicContact CG1-CH2 3.87Å; V326-W345 HydrophobicContact CG2-CH2 3.63Å; V326-W345 HydrophobicContact CG2-CZ3 3.79Å; V326-A351 HydrophobicContact CB-CB 4.34Å; V326-A351 HydrophobicContact CG2-CB 3.65Å; V326-I353 PolarHBondContact N-O 2.92Å; V326-V354 HydrophobicContact CB-CG2 4.37Å; V326-V354 CarbonylContact O-C 3.6Å; V326-V354 VanDerWaalsContact O-CA 3.31Å; V326-V354 WeakPolarHBondContact O-CA 3.14Å; V326-S355 PolarHBondContact O-N 3.26Å
327	D	98.9	Very high	98.5	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.032	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	99.4	176.8	-171.8	-17	0	0	0	110.3	N168 H218 I292 I293 E294 P295 V329 S355	N168-D327 PolarHBondContact ND2-OD2 2.97Å; H218-D327 IonicContact CE1-OD2 3.68Å; H218-D327 IonicContact CG-OD2 2.72Å; H218-D327 IonicContact ND1-OD2 3.57Å; H218-D327 PolarHBondContact ND1-OD2 3.36Å; I292-D327 HydrophobicContact CD1-CB 4.3Å; I292-D327 HydrophobicContact CG1-CB 4.32Å; I293-D327 PolarHBondContact O-N 2.98Å; E294-D327 HydrophobicContact CG-CB 4.25Å; P295-D327 VanDerWaalsContact CD-O 3.28Å; P295-D327 WeakPolarHBondContact CD-O 3.17Å; D327-V329 WeakPolarHBondContact OD1-CB 3.28Å; D327-V329 WeakPolarHBondContact OD1-CG2 3.35Å; D327-V329 PolarHBondContact OD1-N 3.39Å; D327-S355 WeakPolarHBondContact CA-OG 3.22Å
328	E	98.9	Very high	98.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.098	C	C	.	.			trans	-103.1	22.9	176.5	-69.7	-113.7	-146	0	0	111.8	P295 V326 Q330 T331 G332 W340 A341 H342 V354 S355	P295-E328 HydrophobicContact CG-CG 3.94Å; V326-E328 HydrophobicContact CG1-CG 3.8Å; V326-E328 PolarHBondContact O-N 2.58Å; E328-Q330 PolarHBondContact O-N 2.95Å; E328-Q330 VanDerWaalsContact O-N 3.16Å; E328-T331 WeakPolarHBondContact OE2-CB 3.37Å; E328-T331 PolarHBondContact OE2-OG1 3.39Å; E328-G332 WeakPolarHBondContact O-CA 3.3Å; E328-G332 PolarHBondContact O-N 3.34Å; E328-G332 PolarHBondContact OE2-N 3Å; E328-W340 HydrophobicContact CB-CE3 3.78Å; E328-W340 HydrophobicContact CB-CZ3 3.95Å; E328-W340 HydrophobicContact CG-CE3 4.23Å; E328-W340 WeakPolarHBondContact OE1-CB 3.33Å; E328-A341 VanDerWaalsContact CD-N 3.33Å; E328-A341 PolarHBondContact OE1-N 3.01Å; E328-A341 WeakPolarHBondContact OE2-CB 3.42Å; E328-A341 PolarHBondContact OE2-N 2.91Å; E328-H342 IonicContact OE1-CE1 3.98Å; E328-H342 IonicContact OE1-CG 2.72Å; E328-H342 PolarHBondContact OE1-N 3.32Å; E328-H342 IonicContact OE1-ND1 3.63Å; E328-H342 PolarHBondContact OE1-ND1 2.93Å; E328-V354 HydrophobicContact CB-CG1 4.03Å; E328-V354 HydrophobicContact CG-CG1 3.94Å; E328-S355 CarbonylContact C-O 3.59Å; E328-S355 VanDerWaalsContact C-O 3.31Å; E328-S355 VanDerWaalsContact CA-O 3.31Å; E328-S355 WeakPolarHBondContact CA-O 3.43Å; E328-S355 WeakPolarHBondContact CB-O 3.32Å; E328-S355 PolarHBondContact N-O 3.37Å
329	V	98.9	Very high	98.6	Very high	17 Å²	17	16.3 Å²	16.3	10%	0.103	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.4	175.7	166.1	0	0	0	0	111.5	D327 S355 K358	D327-V329 WeakPolarHBondContact OD1-CB 3.28Å; D327-V329 WeakPolarHBondContact OD1-CG2 3.35Å; D327-V329 PolarHBondContact OD1-N 3.39Å; V329-S355 PolarHBondContact N-O 3.11Å; V329-K358 HydrophobicContact CG1-CD 4.25Å; V329-K358 HydrophobicContact CG1-CG 4.05Å; V329-K358 VanDerWaalsContact O-CB 3.3Å; V329-K358 WeakPolarHBondContact O-CB 3.22Å; V329-K358 WeakPolarHBondContact O-CD 3.34Å; V329-K358 WeakPolarHBondContact O-CG 3.48Å
330	Q	98.9	Very high	98.6	Very high	8 Å²	8	9.7 Å²	9.7	4%	0.037	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-31.9	-178.7	-159.4	169.3	150.2	0	0	115.1	A298 E328 K358 F440	A298-Q330 HydrophobicContact CB-CB 4.42Å; A298-Q330 HydrophobicContact CB-CG 4.2Å; A298-Q330 VanDerWaalsContact CB-NE2 3.27Å; A298-Q330 VanDerWaalsContact CB-OE1 3.3Å; E328-Q330 PolarHBondContact O-N 2.95Å; E328-Q330 VanDerWaalsContact O-N 3.16Å; Q330-K358 HydrophobicContact CB-CD 4.22Å; Q330-K358 HydrophobicContact CG-CD 4.02Å; Q330-K358 VanDerWaalsContact NE2-NZ 3.1Å; Q330-F440 HydrophobicContact CG-CE2 4.25Å
331	T	98.9	Very high	98.7	Very high	2 Å²	2	8.7 Å²	8.7	1%	0.012	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-24.3	-179.5	52.2	0	0	0	0	112.8	I296 E328 C335 A341 F440	I296-T331 HydrophobicContact CB-CG2 4.06Å; I296-T331 HydrophobicContact CG1-CG2 4.48Å; E328-T331 WeakPolarHBondContact OE2-CB 3.37Å; E328-T331 PolarHBondContact OE2-OG1 3.39Å; T331-C335 PolarHBondContact O-SG 2.69Å; T331-A341 HydrophobicContact CG2-CB 4.48Å; T331-F440 HydrophobicContact CG2-CE2 4.15Å; T331-F440 HydrophobicContact CG2-CZ 4.05Å
332	G	98.8	Very high	98.8	Very high	3 Å²	3	8.2 Å²	8.2	3%	0.031	4%	0.044	C	C	.	.			trans	-70.5	157.2	179.3	0	0	0	0	0	113.5	E328	E328-G332 WeakPolarHBondContact O-CA 3.3Å; E328-G332 PolarHBondContact O-N 3.34Å; E328-G332 PolarHBondContact OE2-N 3Å
333	G	98.5	Very high	98.8	Very high	2 Å²	2	11.6 Å²	11.6	2%	0.021	6%	0.06	C	C	.	.	S	Bend	trans	89.3	24.8	179.2	0	0	0	0	0	114.1	F339 L479	G333-F339 PolarHBondContact N-O 3.06Å; G333-L479 WeakPolarHBondContact O-CD1 3.32Å
334	G	98.6	Very high	98.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	105.3	-11.9	161.5	0	0	0	0	0	117.6	T336 G337 K338 F339 V409	G334-T336 PolarHBondContact O-N 3.31Å; G334-G337 PolarHBondContact O-N 2.94Å; G334-K338 CarbonylContact C-O 3.59Å; G334-K338 WeakPolarHBondContact CA-O 3.36Å; G334-F339 PolarHBondContact N-O 2.99Å; G334-V409 WeakPolarHBondContact O-CG1 3.43Å
335	C	98.4	Very high	98.8	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.02	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.1	-168	64.5	0	0	0	0	115.4	T331 V409 T439 F440	T331-C335 PolarHBondContact O-SG 2.69Å; C335-V409 VanDerWaalsContact O-CG1 3.28Å; C335-V409 WeakPolarHBondContact O-CG1 3.36Å; C335-T439 PolarHBondContact O-N 3.08Å; C335-T439 PolarHBondContact O-OG1 3.28Å; C335-F440 HydrophobicContact CB-CD2 4.48Å; C335-F440 PolarHBondContact O-N 3.13Å; C335-F440 WeakPolarHBondContact SG-CD2 3.4Å
336	T	98.8	Very high	98.7	Very high	3 Å²	3	17.9 Å²	17.9	2%	0.018	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	8.2	176.7	63.3	0	0	0	0	113.4	I296 G334 K338 A341 H344 Q437 F440	I296-T336 HydrophobicContact CD1-CG2 4.13Å; G334-T336 PolarHBondContact O-N 3.31Å; T336-K338 VanDerWaalsContact C-N 3.26Å; T336-K338 PolarHBondContact O-N 3.38Å; T336-A341 HydrophobicContact CG2-CB 3.86Å; T336-H344 PolarHBondContact O-NE2 3.23Å; T336-Q437 WeakPolarHBondContact CA-O 3.38Å; T336-F440 HydrophobicContact CG2-CB 4.28Å
337	G	98.4	Very high	98.5	Very high	12 Å²	12	19.7 Å²	19.7	12%	0.124	12%	0.116	C	C	.	.	S	Bend	trans	84.1	-5.6	-175	0	0	0	0	0	114.3	G334 T410	G334-G337 PolarHBondContact O-N 2.94Å; G337-T410 WeakPolarHBondContact CA-OG1 3.48Å
338	K	98.7	Very high	98.3	Very high	79 Å²	79	26.3 Å²	26.3	34%	0.343	15%	0.151	S	C	.	.	S	Bend	trans	-122.8	158	166.7	-71.1	-172.6	179.8	-79	0	109.2	G334 T336 W340 E343 H344	G334-K338 CarbonylContact C-O 3.59Å; G334-K338 WeakPolarHBondContact CA-O 3.36Å; T336-K338 VanDerWaalsContact C-N 3.26Å; T336-K338 PolarHBondContact O-N 3.38Å; K338-W340 WeakPolarHBondContact CB-O 3.43Å; K338-E343 HydrophobicContact CB-CB 4.25Å; K338-E343 HydrophobicContact CD-CB 3.43Å; K338-E343 VanDerWaalsContact CD-CB 3.43Å; K338-E343 HydrophobicContact CG-CB 4.46Å; K338-H344 WeakPolarHBondContact CG-NE2 3.36Å
339	F	98.8	Very high	98.2	Very high	20 Å²	20	28.3 Å²	28.3	9%	0.088	16%	0.162	C	C	.	.	S	Bend	trans	-63.4	-48.3	-176	-166.3	-80	0	0	0	110.6	I150 G333 G334 L360 L397 I400 L406	I150-F339 HydrophobicContact CB-CD1 4.08Å; I150-F339 HydrophobicContact CB-CE1 3.89Å; I150-F339 HydrophobicContact CB-CE2 4.49Å; I150-F339 HydrophobicContact CB-CG 4.48Å; I150-F339 HydrophobicContact CB-CZ 4.11Å; I150-F339 HydrophobicContact CD1-CD1 4.35Å; I150-F339 HydrophobicContact CD1-CE1 3.34Å; I150-F339 HydrophobicContact CD1-CE2 4.33Å; I150-F339 HydrophobicContact CD1-CZ 3.32Å; I150-F339 HydrophobicContact CG1-CE1 4.11Å; I150-F339 HydrophobicContact CG1-CZ 4.26Å; I150-F339 HydrophobicContact CG2-CD1 4.34Å; I150-F339 HydrophobicContact CG2-CD2 4.07Å; I150-F339 HydrophobicContact CG2-CE1 4.15Å; I150-F339 HydrophobicContact CG2-CE2 3.85Å; I150-F339 HydrophobicContact CG2-CG 4.32Å; I150-F339 HydrophobicContact CG2-CZ 3.9Å; G333-F339 PolarHBondContact N-O 3.06Å; G334-F339 PolarHBondContact N-O 2.99Å; F339-L360 HydrophobicContact CE1-CD1 4.33Å; F339-L360 HydrophobicContact CE1-CD2 4.46Å; F339-L360 HydrophobicContact CZ-CD1 4.15Å; F339-L397 HydrophobicContact CE2-CD2 3.37Å; F339-L397 HydrophobicContact CZ-CD2 3.65Å; F339-I400 HydrophobicContact CE2-CD1 4.41Å; F339-L406 HydrophobicContact CB-CD1 4.38Å
340	W	98.9	Very high	98.1	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.011	16%	0.157	C	C	.	.	S	Bend	trans	-107.8	138.1	168.7	-52.2	106.6	0	0	0	110.8	I150 E328 K338 H342 E343 V354 F356 L360 Y366	I150-W340 HydrophobicContact CD1-CZ2 4.09Å; I150-W340 HydrophobicContact CG1-CZ2 4.41Å; I150-W340 PolarHBondContact O-NE1 3.35Å; E328-W340 HydrophobicContact CB-CE3 3.78Å; E328-W340 HydrophobicContact CB-CZ3 3.95Å; E328-W340 HydrophobicContact CG-CE3 4.23Å; E328-W340 WeakPolarHBondContact OE1-CB 3.33Å; K338-W340 WeakPolarHBondContact CB-O 3.43Å; W340-H342 VanDerWaalsContact C-N 3.31Å; W340-H342 WeakPolarHBondContact CB-CE1 3.47Å; W340-H342 WeakPolarHBondContact CB-ND1 3.33Å; W340-H342 AromaticContact CG-CE1 3.65Å; W340-H342 PolarHBondContact O-N 3.17Å; W340-E343 HydrophobicContact CB-CG 4.12Å; W340-E343 PolarHBondContact N-OE1 2.74Å; W340-E343 WeakPolarHBondContact O-CB 3.33Å; W340-E343 PolarHBondContact O-N 3.45Å; W340-V354 HydrophobicContact CE3-CG1 4.37Å; W340-V354 HydrophobicContact CZ3-CG1 4.48Å; W340-F356 HydrophobicContact CH2-CB 3.78Å; W340-F356 HydrophobicContact CH2-CD1 4.03Å; W340-F356 HydrophobicContact CH2-CG 4Å; W340-F356 HydrophobicContact CZ3-CB 3.78Å; W340-F356 HydrophobicContact CZ3-CG 4.5Å; W340-L360 HydrophobicContact CH2-CD2 3.35Å; W340-L360 HydrophobicContact CZ2-CD2 4.17Å; W340-L360 HydrophobicContact CZ3-CD2 4Å; W340-Y366 AromaticContact CH2-CE2 3.73Å; W340-Y366 HydrophobicContact CH2-CE2 3.73Å; W340-Y366 HydrophobicContact CZ2-CD2 4.3Å; W340-Y366 AromaticContact CZ2-CE2 3.46Å; W340-Y366 HydrophobicContact CZ2-CE2 3.46Å; W340-Y366 VanDerWaalsContact CZ2-CE2 3.46Å
341	A	98.9	Very high	98.1	Very high	4 Å²	4	27.1 Å²	27.1	3%	0.033	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-67.4	-31.7	-179.6	0	0	0	0	0	112.8	P295 E328 T331 T336 E343 H344	P295-A341 HydrophobicContact CB-CB 3.78Å; P295-A341 HydrophobicContact CG-CB 4.16Å; E328-A341 VanDerWaalsContact CD-N 3.33Å; E328-A341 PolarHBondContact OE1-N 3.01Å; E328-A341 WeakPolarHBondContact OE2-CB 3.42Å; E328-A341 PolarHBondContact OE2-N 2.91Å; T331-A341 HydrophobicContact CG2-CB 4.48Å; T336-A341 HydrophobicContact CG2-CB 3.86Å; A341-E343 PolarHBondContact O-N 3.17Å; A341-H344 WeakPolarHBondContact O-CB 3.28Å; A341-H344 PolarHBondContact O-CD2 3.44Å; A341-H344 VanDerWaalsContact O-CD2 3.28Å; A341-H344 PolarHBondContact O-N 3.33Å; A341-H344 VanDerWaalsContact O-N 3.13Å
342	H	98.8	Very high	98.1	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.023	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-64.5	-18	177.6	72.5	-95.8	0	0	0	113.7	V326 E328 W340 H344 W345 P350	V326-H342 HydrophobicContact CG1-CB 4.34Å; E328-H342 IonicContact OE1-CE1 3.98Å; E328-H342 IonicContact OE1-CG 2.72Å; E328-H342 PolarHBondContact OE1-N 3.32Å; E328-H342 IonicContact OE1-ND1 3.63Å; E328-H342 PolarHBondContact OE1-ND1 2.93Å; W340-H342 VanDerWaalsContact C-N 3.31Å; W340-H342 WeakPolarHBondContact CB-CE1 3.47Å; W340-H342 WeakPolarHBondContact CB-ND1 3.33Å; W340-H342 AromaticContact CG-CE1 3.65Å; W340-H342 PolarHBondContact O-N 3.17Å; H342-H344 PolarHBondContact O-N 3.19Å; H342-H344 VanDerWaalsContact O-N 3.15Å; H342-W345 HydrophobicContact CB-CD2 3.79Å; H342-W345 HydrophobicContact CB-CE3 3.64Å; H342-W345 HydrophobicContact CB-CH2 3.67Å; H342-W345 HydrophobicContact CB-CZ2 3.82Å; H342-W345 HydrophobicContact CB-CZ3 3.57Å; H342-W345 VanDerWaalsContact O-CB 3.24Å; H342-W345 WeakPolarHBondContact O-CB 3.43Å; H342-W345 PolarHBondContact O-N 2.89Å; H342-P350 VanDerWaalsContact CD2-CB 3.42Å; H342-P350 WeakPolarHBondContact CD2-CB 3.24Å
343	E	98.8	Very high	98.1	Very high	74 Å²	74	27.4 Å²	27.4	35%	0.346	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-60.4	-23.7	174.1	-69.1	171.1	-137.6	0	0	112.1	K338 W340 A341 W345 G346	K338-E343 HydrophobicContact CB-CB 4.25Å; K338-E343 HydrophobicContact CD-CB 3.43Å; K338-E343 VanDerWaalsContact CD-CB 3.43Å; K338-E343 HydrophobicContact CG-CB 4.46Å; W340-E343 HydrophobicContact CB-CG 4.12Å; W340-E343 PolarHBondContact N-OE1 2.74Å; W340-E343 WeakPolarHBondContact O-CB 3.33Å; W340-E343 PolarHBondContact O-N 3.45Å; A341-E343 PolarHBondContact O-N 3.17Å; E343-W345 PolarHBondContact O-N 2.92Å; E343-G346 PolarHBondContact O-N 3.34Å
344	H	98.6	Very high	98.1	Very high	56 Å²	56	27.3 Å²	27.3	26%	0.259	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-69.5	-10.6	174.3	-67.9	-80.9	0	0	0	113.4	T336 K338 A341 H342 G346 Q437	T336-H344 PolarHBondContact O-NE2 3.23Å; K338-H344 WeakPolarHBondContact CG-NE2 3.36Å; A341-H344 WeakPolarHBondContact O-CB 3.28Å; A341-H344 PolarHBondContact O-CD2 3.44Å; A341-H344 VanDerWaalsContact O-CD2 3.28Å; A341-H344 PolarHBondContact O-N 3.33Å; A341-H344 VanDerWaalsContact O-N 3.13Å; H342-H344 PolarHBondContact O-N 3.19Å; H342-H344 VanDerWaalsContact O-N 3.15Å; H344-G346 VanDerWaalsContact C-N 3.28Å; H344-Q437 PolarHBondContact CD2-NE2 2.97Å; H344-Q437 PolarHBondContact CE1-NE2 3.09Å; H344-Q437 VanDerWaalsContact CE1-NE2 3.29Å; H344-Q437 PolarHBondContact ND1-NE2 3.29Å; H344-Q437 VanDerWaalsContact ND1-NE2 3.17Å; H344-Q437 PolarHBondContact NE2-NE2 3.25Å; H344-Q437 VanDerWaalsContact NE2-NE2 3.17Å
345	W	98.5	Very high	98.1	Very high	9 Å²	9	27.3 Å²	27.3	3%	0.034	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-77.6	-15.6	173.7	-50.8	-18.7	0	0	0	112.8	P295 F310 R311 F324 V326 H342 E343 M347 P350	P295-W345 HydrophobicContact CB-CZ2 3.98Å; P295-W345 HydrophobicContact CG-CZ2 4.09Å; F310-W345 HydrophobicContact CB-CD2 3.59Å; F310-W345 HydrophobicContact CB-CE3 4.07Å; F310-W345 HydrophobicContact CB-CG 3.99Å; F310-W345 HydrophobicContact CB-CH2 4.2Å; F310-W345 HydrophobicContact CB-CZ2 3.72Å; F310-W345 HydrophobicContact CB-CZ3 4.36Å; F310-W345 AromaticContact CD1-CE2 3.91Å; F310-W345 AromaticContact CD1-CH2 4Å; F310-W345 HydrophobicContact CD1-CH2 4Å; F310-W345 AromaticContact CD1-CZ2 3.43Å; F310-W345 HydrophobicContact CD1-CZ2 3.43Å; F310-W345 VanDerWaalsContact CD1-CZ2 3.43Å; F310-W345 AromaticContact CD2-CD1 3.96Å; F310-W345 AromaticContact CD2-CE2 3.73Å; F310-W345 HydrophobicContact CD2-CZ2 4.05Å; F310-W345 AromaticContact CD2-NE1 3.26Å; F310-W345 VanDerWaalsContact CD2-NE1 3.26Å; F310-W345 HydrophobicContact CE1-CZ2 4.01Å; F310-W345 AromaticContact CE2-NE1 3.95Å; F310-W345 HydrophobicContact CG-CD2 4.15Å; F310-W345 AromaticContact CG-CE2 3.4Å; F310-W345 HydrophobicContact CG-CH2 4.24Å; F310-W345 AromaticContact CG-CZ2 3.46Å; F310-W345 HydrophobicContact CG-CZ2 3.46Å; F310-W345 VanDerWaalsContact CG-CZ2 3.46Å; F310-W345 AromaticContact CG-NE1 3.46Å; R311-W345 HydrophobicContact CG-CB 4.5Å; R311-W345 PolarHBondContact NH1-O 3.03Å; F324-W345 HydrophobicContact CE1-CH2 4.18Å; F324-W345 AromaticContact CE1-CZ3 3.86Å; F324-W345 HydrophobicContact CE1-CZ3 3.86Å; V326-W345 HydrophobicContact CB-CH2 4.44Å; V326-W345 HydrophobicContact CG1-CH2 3.87Å; V326-W345 HydrophobicContact CG2-CH2 3.63Å; V326-W345 HydrophobicContact CG2-CZ3 3.79Å; H342-W345 HydrophobicContact CB-CD2 3.79Å; H342-W345 HydrophobicContact CB-CE3 3.64Å; H342-W345 HydrophobicContact CB-CH2 3.67Å; H342-W345 HydrophobicContact CB-CZ2 3.82Å; H342-W345 HydrophobicContact CB-CZ3 3.57Å; H342-W345 VanDerWaalsContact O-CB 3.24Å; H342-W345 WeakPolarHBondContact O-CB 3.43Å; H342-W345 PolarHBondContact O-N 2.89Å; E343-W345 PolarHBondContact O-N 2.92Å; W345-M347 HydrophobicContact CB-CG 4.16Å; W345-M347 PolarHBondContact O-N 3.09Å; W345-P350 HydrophobicContact CE3-CB 4.36Å
346	G	97.2	Very high	98.1	Very high	69 Å²	69	27.2 Å²	27.2	71%	0.711	15%	0.154	S	C	*	.			trans	61.7	40.5	177.8	0	0	0	0	0	113.2	E343 H344	E343-G346 PolarHBondContact O-N 3.34Å; H344-G346 VanDerWaalsContact C-N 3.28Å
347	M	95.8	Very high	98.2	Very high	38 Å²	38	27.8 Å²	27.8	19%	0.187	16%	0.159	C	C	.	.			trans	-113.7	136.3	-179.8	-60.3	-171.8	77.9	0	0	111.3	R311 R314 W345 D349 P350	R311-M347 HydrophobicContact CB-SD 4.18Å; R311-M347 HydrophobicContact CG-CG 3.83Å; R311-M347 HydrophobicContact CG-SD 3.67Å; R314-M347 HydrophobicContact CB-CE 4.19Å; R314-M347 HydrophobicContact CB-SD 4.2Å; R314-M347 HydrophobicContact CG-CE 3.62Å; R314-M347 HydrophobicContact CG-SD 4.04Å; W345-M347 HydrophobicContact CB-CG 4.16Å; W345-M347 PolarHBondContact O-N 3.09Å; M347-D349 VanDerWaalsContact C-N 3.3Å; M347-P350 HydrophobicContact CB-CB 4.37Å
348	D	94.7	Very high	98.2	Very high	144 Å²	144	29.3 Å²	29.3	77%	0.77	16%	0.162	S	C	*	.	S	Bend	trans	-72.5	-27.3	171.1	-63.2	-33.9	0	0	0	112.4	S153 P350	S153-D348 WeakPolarHBondContact CB-O 3.49Å; S153-D348 PolarHBondContact OG-O 3.17Å; D348-P350 VanDerWaalsContact C-CD 3.41Å; D348-P350 VanDerWaalsContact O-CD 3.31Å; D348-P350 WeakPolarHBondContact O-CD 3.43Å
349	D	96.6	Very high	98.2	Very high	43 Å²	43	25.7 Å²	25.7	23%	0.23	15%	0.146	C	C	.	.	S	Bend	trans	-119.7	70.4	178.9	175.1	26.1	0	0	0	110.9	R314 R318 M347 K368	R314-D349 IonicContact CZ-OD1 3.51Å; R314-D349 IonicContact CZ-OD2 2.82Å; R314-D349 PolarHBondContact NE-O 2.73Å; R314-D349 IonicContact NE-OD1 2.63Å; R314-D349 IonicContact NE-OD2 3.29Å; R314-D349 VanDerWaalsContact NH2-CG 3.29Å; R314-D349 IonicContact NH2-OD1 3.31Å; R314-D349 PolarHBondContact NH2-OD1 2.96Å; R314-D349 VanDerWaalsContact NH2-OD1 3.11Å; R314-D349 IonicContact NH2-OD2 3.67Å; R314-D349 PolarHBondContact NH2-OD2 3.29Å; R318-D349 IonicContact CZ-OD2 3.84Å; R318-D349 IonicContact NE-OD2 3.43Å; R318-D349 PolarHBondContact NE-OD2 2.84Å; R318-D349 IonicContact NH2-OD2 2.7Å; R318-D349 PolarHBondContact NH2-OD2 3.01Å; M347-D349 VanDerWaalsContact C-N 3.3Å; D349-K368 WeakPolarHBondContact OD1-CE 3.49Å; D349-K368 IonicContact OD1-NZ 3.15Å; D349-K368 PolarHBondContact OD1-NZ 3.49Å; D349-K368 IonicContact OD2-NZ 3.87Å
350	P	97.2	Very high	98.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	14%	0.142	C	C	.	.			trans	-76.9	-25.6	-171.6	30.6	-35.6	0	0	0	113.4	F324 H342 W345 M347 D348	F324-P350 VanDerWaalsContact CD1-O 3.29Å; F324-P350 WeakPolarHBondContact CD1-O 3.38Å; H342-P350 VanDerWaalsContact CD2-CB 3.42Å; H342-P350 WeakPolarHBondContact CD2-CB 3.24Å; W345-P350 HydrophobicContact CE3-CB 4.36Å; M347-P350 HydrophobicContact CB-CB 4.37Å; D348-P350 VanDerWaalsContact C-CD 3.41Å; D348-P350 VanDerWaalsContact O-CD 3.31Å; D348-P350 WeakPolarHBondContact O-CD 3.43Å
351	A	98.4	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.			trans	-164.3	164.1	-174	0	0	0	0	0	113.2	M155 F324 V326 V354 K368	M155-A351 VanDerWaalsContact CE-C 3.48Å; M155-A351 HydrophobicContact CE-CB 3.78Å; M155-A351 WeakPolarHBondContact CE-O 3.4Å; F324-A351 HydrophobicContact CD1-CB 4.26Å; V326-A351 HydrophobicContact CB-CB 4.34Å; V326-A351 HydrophobicContact CG2-CB 3.65Å; A351-V354 HydrophobicContact CB-CG2 3.97Å; A351-K368 VanDerWaalsContact O-CE 3.28Å; A351-K368 WeakPolarHBondContact O-CE 3.29Å
352	E	98.5	Very high	98.1	Very high	11 Å²	11	27 Å²	27	5%	0.051	15%	0.153	C	C	.	.	S	Bend	trans	-86.2	-35.2	163	-86.9	64.9	-122.9	0	0	111.8	M155 R314 A323 F324 Q367 K368 L371	M155-E352 VanDerWaalsContact CE-C 3.44Å; M155-E352 WeakPolarHBondContact CE-O 3.29Å; R314-E352 IonicContact CZ-OE1 3.81Å; R314-E352 VanDerWaalsContact CZ-OE1 3.23Å; R314-E352 IonicContact CZ-OE2 2.81Å; R314-E352 IonicContact NH1-OE1 3.51Å; R314-E352 PolarHBondContact NH1-OE1 2.87Å; R314-E352 IonicContact NH1-OE2 3.17Å; R314-E352 PolarHBondContact NH1-OE2 3.01Å; R314-E352 IonicContact NH2-OE1 3.21Å; R314-E352 PolarHBondContact NH2-OE1 2.95Å; R314-E352 IonicContact NH2-OE2 2.84Å; A323-E352 HydrophobicContact CB-CB 4.14Å; A323-E352 HydrophobicContact CB-CG 4.32Å; F324-E352 VanDerWaalsContact CB-OE2 3.32Å; F324-E352 WeakPolarHBondContact CB-OE2 3.23Å; F324-E352 PolarHBondContact N-OE2 3.32Å; F324-E352 PolarHBondContact O-N 2.9Å; E352-Q367 VanDerWaalsContact O-CA 3.3Å; E352-Q367 WeakPolarHBondContact O-CA 3.33Å; E352-K368 HydrophobicContact CG-CD 4.34Å; E352-K368 PolarHBondContact O-N 3.19Å; E352-K368 IonicContact OE1-NZ 2.76Å; E352-K368 PolarHBondContact OE1-NZ 3.27Å; E352-L371 HydrophobicContact CB-CD1 3.78Å; E352-L371 HydrophobicContact CB-CD2 4.25Å; E352-L371 HydrophobicContact CG-CD1 3.78Å
353	I	98.8	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139	179.3	-65.4	-174.1	0	0	0	110.2	A171 I175 F324 H325 V326 Y365 Y366 Q367 L371	A171-I353 HydrophobicContact CB-CD1 4.03Å; A171-I353 HydrophobicContact CB-CG2 3.85Å; I175-I353 HydrophobicContact CD1-CD1 4.02Å; I175-I353 HydrophobicContact CG1-CD1 3.66Å; F324-I353 PolarHBondContact O-N 3.5Å; F324-I353 VanDerWaalsContact O-N 3.09Å; H325-I353 WeakPolarHBondContact CA-O 3.48Å; H325-I353 HydrophobicContact CB-CB 4.33Å; V326-I353 PolarHBondContact N-O 2.92Å; I353-Y365 HydrophobicContact CG2-CD2 4.01Å; I353-Y365 HydrophobicContact CG2-CG 4.31Å; I353-Y366 VanDerWaalsContact CA-O 3.27Å; I353-Y366 WeakPolarHBondContact CA-O 3.14Å; I353-Y366 WeakPolarHBondContact CG2-O 3.32Å; I353-Q367 HydrophobicContact CG1-CB 3.97Å; I353-L371 HydrophobicContact CD1-CD2 3.79Å; I353-L371 HydrophobicContact CG1-CD2 3.93Å
354	V	98.9	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.3	167.8	-179.1	0	0	0	0	109.3	P152 M155 V326 E328 W340 A351 Y365 Y366	P152-V354 HydrophobicContact CB-CG2 4.25Å; P152-V354 HydrophobicContact CG-CB 4.08Å; P152-V354 HydrophobicContact CG-CG1 4.3Å; P152-V354 HydrophobicContact CG-CG2 3.99Å; M155-V354 HydrophobicContact CE-CG2 3.84Å; M155-V354 HydrophobicContact SD-CB 4.38Å; M155-V354 HydrophobicContact SD-CG2 3.98Å; V326-V354 HydrophobicContact CB-CG2 4.37Å; V326-V354 CarbonylContact O-C 3.6Å; V326-V354 VanDerWaalsContact O-CA 3.31Å; V326-V354 WeakPolarHBondContact O-CA 3.14Å; E328-V354 HydrophobicContact CB-CG1 4.03Å; E328-V354 HydrophobicContact CG-CG1 3.94Å; W340-V354 HydrophobicContact CE3-CG1 4.37Å; W340-V354 HydrophobicContact CZ3-CG1 4.48Å; A351-V354 HydrophobicContact CB-CG2 3.97Å; V354-Y365 CarbonylContact O-C 3.48Å; V354-Y365 WeakPolarHBondContact O-CA 3.5Å; V354-Y366 HydrophobicContact CB-CD2 4.47Å; V354-Y366 PolarHBondContact N-O 2.92Å; V354-Y366 PolarHBondContact O-N 2.84Å
355	S	98.9	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	152.2	176.1	60.7	0	0	0	0	112.3	N168 H325 V326 D327 E328 V329 G364	N168-S355 WeakPolarHBondContact OD1-CB 3.1Å; N168-S355 PolarHBondContact OD1-OG 3.03Å; H325-S355 WeakPolarHBondContact NE2-CB 3.13Å; H325-S355 PolarHBondContact NE2-OG 2.63Å; V326-S355 PolarHBondContact O-N 3.26Å; D327-S355 WeakPolarHBondContact CA-OG 3.22Å; E328-S355 CarbonylContact C-O 3.59Å; E328-S355 VanDerWaalsContact C-O 3.31Å; E328-S355 VanDerWaalsContact CA-O 3.31Å; E328-S355 WeakPolarHBondContact CA-O 3.43Å; E328-S355 WeakPolarHBondContact CB-O 3.32Å; E328-S355 PolarHBondContact N-O 3.37Å; V329-S355 PolarHBondContact N-O 3.11Å; S355-G364 WeakPolarHBondContact CA-O 3.25Å
356	F	98.9	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.7	-176	61.8	-95.6	0	0	0	112.8	L147 V158 W340 L360 T362 G363 G364 Y366	L147-F356 HydrophobicContact CD1-CE2 4.38Å; L147-F356 HydrophobicContact CD1-CZ 4.03Å; L147-F356 HydrophobicContact CD2-CD2 4.44Å; L147-F356 HydrophobicContact CD2-CE1 4.49Å; L147-F356 HydrophobicContact CD2-CE2 3.53Å; L147-F356 HydrophobicContact CD2-CZ 3.57Å; L147-F356 HydrophobicContact CG-CZ 4.38Å; V158-F356 HydrophobicContact CG2-CE1 3.85Å; V158-F356 HydrophobicContact CG2-CZ 3.76Å; W340-F356 HydrophobicContact CH2-CB 3.78Å; W340-F356 HydrophobicContact CH2-CD1 4.03Å; W340-F356 HydrophobicContact CH2-CG 4Å; W340-F356 HydrophobicContact CZ3-CB 3.78Å; W340-F356 HydrophobicContact CZ3-CG 4.5Å; F356-L360 HydrophobicContact CB-CD2 3.71Å; F356-L360 HydrophobicContact CD1-CD2 4.49Å; F356-L360 HydrophobicContact CD2-CB 3.99Å; F356-L360 HydrophobicContact CD2-CD2 3.43Å; F356-L360 VanDerWaalsContact CD2-CD2 3.43Å; F356-L360 HydrophobicContact CD2-CG 4.35Å; F356-L360 HydrophobicContact CE2-CD2 4.19Å; F356-L360 HydrophobicContact CG-CD2 3.62Å; F356-T362 HydrophobicContact CE2-CG2 4.32Å; F356-G363 CarbonylContact O-C 3.54Å; F356-G363 WeakPolarHBondContact O-CA 3.3Å; F356-G364 WeakPolarHBondContact CD1-O 3.21Å; F356-G364 PolarHBondContact N-O 2.96Å; F356-G364 PolarHBondContact O-N 2.84Å; F356-Y366 AromaticContact CD1-CD2 3.74Å; F356-Y366 HydrophobicContact CD1-CD2 3.74Å; F356-Y366 AromaticContact CD1-CE2 3.41Å; F356-Y366 HydrophobicContact CD1-CE2 3.41Å; F356-Y366 VanDerWaalsContact CD1-CE2 3.41Å; F356-Y366 AromaticContact CE1-CD2 3.61Å; F356-Y366 HydrophobicContact CE1-CD2 3.61Å; F356-Y366 AromaticContact CE1-CE2 3.22Å; F356-Y366 HydrophobicContact CE1-CE2 3.22Å; F356-Y366 HydrophobicContact CE1-CG 4.44Å; F356-Y366 AromaticContact CE1-CZ 3.81Å; F356-Y366 HydrophobicContact CG-CE2 4.47Å; F356-Y366 HydrophobicContact CZ-CE2 4.18Å
357	S	98.9	Very high	98.2	Very high	16 Å²	16	17 Å²	17	11%	0.112	9%	0.089	C	C	.	.			trans	-166.4	-137.2	169.4	-168.5	0	0	0	0	109.9	G164 K359 L360 T362	G164-S357 VanDerWaalsContact N-CB 3.34Å; G164-S357 PolarHBondContact N-OG 3.39Å; S357-K359 PolarHBondContact O-N 2.8Å; S357-L360 WeakPolarHBondContact O-CB 3.37Å; S357-L360 PolarHBondContact O-N 3.09Å; S357-T362 WeakPolarHBondContact CA-O 3.26Å
358	K	98.9	Very high	98.2	Very high	44 Å²	44	17 Å²	17	19%	0.191	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	46.3	-106.5	172.9	-66.4	-171.7	168.4	114	0	113.2	I100 V329 Q330 L360 L361	I100-K358 WeakPolarHBondContact O-CD 3.26Å; I100-K358 VanDerWaalsContact O-CE 3.27Å; I100-K358 WeakPolarHBondContact O-CE 3.28Å; V329-K358 HydrophobicContact CG1-CD 4.25Å; V329-K358 HydrophobicContact CG1-CG 4.05Å; V329-K358 VanDerWaalsContact O-CB 3.3Å; V329-K358 WeakPolarHBondContact O-CB 3.22Å; V329-K358 WeakPolarHBondContact O-CD 3.34Å; V329-K358 WeakPolarHBondContact O-CG 3.48Å; Q330-K358 HydrophobicContact CB-CD 4.22Å; Q330-K358 HydrophobicContact CG-CD 4.02Å; Q330-K358 VanDerWaalsContact NE2-NZ 3.1Å; K358-L360 PolarHBondContact O-N 3.34Å; K358-L361 PolarHBondContact O-N 3.47Å
359	K	98.8	Very high	98.2	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.013	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-56	-23.2	-178.4	-73.7	-169.5	160.7	58.9	0	113.3	S101 P104 S357 L361	S101-K359 WeakPolarHBondContact O-CG 3.37Å; S101-K359 PolarHBondContact O-NZ 3.03Å; S101-K359 PolarHBondContact OG-NZ 3.11Å; P104-K359 HydrophobicContact CB-CB 4.19Å; P104-K359 HydrophobicContact CB-CG 4.42Å; S357-K359 PolarHBondContact O-N 2.8Å; K359-L361 VanDerWaalsContact C-N 3.25Å; K359-L361 PolarHBondContact O-N 3.13Å
360	L	98.7	Very high	98.1	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-82.9	-0.1	178.8	-83.3	57.1	0	0	0	113.2	I150 F339 W340 F356 S357 K358 T362 L393	I150-L360 HydrophobicContact CD1-CD2 4.19Å; F339-L360 HydrophobicContact CE1-CD1 4.33Å; F339-L360 HydrophobicContact CE1-CD2 4.46Å; F339-L360 HydrophobicContact CZ-CD1 4.15Å; W340-L360 HydrophobicContact CH2-CD2 3.35Å; W340-L360 HydrophobicContact CZ2-CD2 4.17Å; W340-L360 HydrophobicContact CZ3-CD2 4Å; F356-L360 HydrophobicContact CB-CD2 3.71Å; F356-L360 HydrophobicContact CD1-CD2 4.49Å; F356-L360 HydrophobicContact CD2-CB 3.99Å; F356-L360 HydrophobicContact CD2-CD2 3.43Å; F356-L360 VanDerWaalsContact CD2-CD2 3.43Å; F356-L360 HydrophobicContact CD2-CG 4.35Å; F356-L360 HydrophobicContact CE2-CD2 4.19Å; F356-L360 HydrophobicContact CG-CD2 3.62Å; S357-L360 WeakPolarHBondContact O-CB 3.37Å; S357-L360 PolarHBondContact O-N 3.09Å; K358-L360 PolarHBondContact O-N 3.34Å; L360-T362 PolarHBondContact O-N 2.83Å; L360-L393 HydrophobicContact CB-CD1 4.39Å; L360-L393 HydrophobicContact CG-CD1 4.37Å; L360-L393 WeakPolarHBondContact O-CD1 3.26Å; L360-L393 WeakPolarHBondContact O-CD2 3.38Å
361	L	98.5	Very high	97.9	Very high	50 Å²	50	17.2 Å²	17.2	26%	0.262	9%	0.085	S	C	.	.	S	Bend	trans	65	-34.2	175.6	-49.7	-178.9	0	0	0	115.8	P104 K358 K359 K389 F392 V396	P104-L361 HydrophobicContact CG-CD2 4.12Å; K358-L361 PolarHBondContact O-N 3.47Å; K359-L361 VanDerWaalsContact C-N 3.25Å; K359-L361 PolarHBondContact O-N 3.13Å; L361-K389 HydrophobicContact CB-CB 4.27Å; L361-K389 HydrophobicContact CB-CD 4.46Å; L361-F392 HydrophobicContact CD1-CB 3.44Å; L361-F392 VanDerWaalsContact CD1-CB 3.44Å; L361-V396 HydrophobicContact CD1-CG2 4.04Å
362	T	98.6	Very high	97.6	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.102	C	C	.	.	S	Bend	trans	-106.8	160.3	168.4	-168	0	0	0	0	109.5	L147 M161 F356 S357 L360 L393	L147-T362 HydrophobicContact CD1-CG2 4.32Å; L147-T362 HydrophobicContact CD2-CG2 4.41Å; M161-T362 PolarHBondContact O-OG1 2.82Å; F356-T362 HydrophobicContact CE2-CG2 4.32Å; S357-T362 WeakPolarHBondContact CA-O 3.26Å; L360-T362 PolarHBondContact O-N 2.83Å; T362-L393 HydrophobicContact CG2-CD2 4.34Å
363	G	98.7	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	168.1	170.4	0	0	0	0	0	111.3	M161 F356	M161-G363 CarbonylContact C-O 3.43Å; M161-G363 PolarHBondContact N-O 2.84Å; M161-G363 CarbonylContact O-C 3.52Å; M161-G363 VanDerWaalsContact O-C 3.27Å; M161-G363 VanDerWaalsContact O-CA 3.24Å; M161-G363 WeakPolarHBondContact O-CA 3.45Å; M161-G363 PolarHBondContact O-N 3.27Å; F356-G363 CarbonylContact O-C 3.54Å; F356-G363 WeakPolarHBondContact O-CA 3.3Å
364	G	98.8	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-174.4	171.2	0	0	0	0	0	112.3	Q159 A167 S355 F356	Q159-G364 CarbonylContact O-C 3.53Å; Q159-G364 WeakPolarHBondContact O-CA 3.42Å; A167-G364 WeakPolarHBondContact CB-O 2.94Å; S355-G364 WeakPolarHBondContact CA-O 3.25Å; F356-G364 WeakPolarHBondContact CD1-O 3.21Å; F356-G364 PolarHBondContact N-O 2.96Å; F356-G364 PolarHBondContact O-N 2.84Å
365	Y	98.9	Very high	96.4	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	142.7	172	60.2	-84	0	0	0	110.9	Q159 M161 N170 A171 S174 I353 V354 Q367 I379	Q159-Y365 HydrophobicContact CB-CD1 4.16Å; Q159-Y365 HydrophobicContact CB-CD2 4.41Å; Q159-Y365 HydrophobicContact CB-CE1 3.7Å; Q159-Y365 HydrophobicContact CB-CE2 4Å; Q159-Y365 HydrophobicContact CB-CG 4.49Å; Q159-Y365 HydrophobicContact CG-CD1 4.4Å; Q159-Y365 HydrophobicContact CG-CE1 3.59Å; Q159-Y365 PolarHBondContact N-O 3.43Å; Q159-Y365 PolarHBondContact O-N 3.25Å; M161-Y365 HydrophobicContact CE-CE1 4.28Å; N170-Y365 HydrophobicContact CB-CE1 3.75Å; N170-Y365 PolarHBondContact O-OH 3Å; A171-Y365 HydrophobicContact CB-CD1 4.46Å; A171-Y365 HydrophobicContact CB-CD2 4.43Å; A171-Y365 HydrophobicContact CB-CG 4.28Å; S174-Y365 PolarHBondContact OG-OH 2.9Å; I353-Y365 HydrophobicContact CG2-CD2 4.01Å; I353-Y365 HydrophobicContact CG2-CG 4.31Å; V354-Y365 CarbonylContact O-C 3.48Å; V354-Y365 WeakPolarHBondContact O-CA 3.5Å; Y365-Q367 HydrophobicContact CD2-CB 4.36Å; Y365-I379 WeakPolarHBondContact OH-CG2 3.19Å
366	Y	98.8	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	150.3	163.9	-58.3	-86.3	0	0	0	108.7	L147 A151 P152 M155 R157 V158 W340 I353 V354 F356	L147-Y366 WeakPolarHBondContact CA-OH 3.48Å; L147-Y366 HydrophobicContact CB-CE1 4.46Å; L147-Y366 WeakPolarHBondContact CB-OH 3.28Å; L147-Y366 PolarHBondContact O-OH 2.72Å; A151-Y366 HydrophobicContact CB-CD1 4.3Å; A151-Y366 HydrophobicContact CB-CE1 4.12Å; P152-Y366 VanDerWaalsContact CD-CG 3.48Å; P152-Y366 HydrophobicContact CG-CD2 3.86Å; P152-Y366 HydrophobicContact CG-CE2 4.41Å; P152-Y366 HydrophobicContact CG-CG 4.11Å; M155-Y366 WeakPolarHBondContact SD-CB 3.43Å; R157-Y366 WeakPolarHBondContact O-CA 3.24Å; V158-Y366 HydrophobicContact CB-CD1 3.74Å; V158-Y366 HydrophobicContact CB-CE1 3.7Å; V158-Y366 HydrophobicContact CG2-CD1 3.89Å; V158-Y366 HydrophobicContact CG2-CE1 3.68Å; V158-Y366 HydrophobicContact CG2-CG 4.41Å; W340-Y366 AromaticContact CH2-CE2 3.73Å; W340-Y366 HydrophobicContact CH2-CE2 3.73Å; W340-Y366 HydrophobicContact CZ2-CD2 4.3Å; W340-Y366 AromaticContact CZ2-CE2 3.46Å; W340-Y366 HydrophobicContact CZ2-CE2 3.46Å; W340-Y366 VanDerWaalsContact CZ2-CE2 3.46Å; I353-Y366 VanDerWaalsContact CA-O 3.27Å; I353-Y366 WeakPolarHBondContact CA-O 3.14Å; I353-Y366 WeakPolarHBondContact CG2-O 3.32Å; V354-Y366 HydrophobicContact CB-CD2 4.47Å; V354-Y366 PolarHBondContact N-O 2.92Å; V354-Y366 PolarHBondContact O-N 2.84Å; F356-Y366 AromaticContact CD1-CD2 3.74Å; F356-Y366 HydrophobicContact CD1-CD2 3.74Å; F356-Y366 AromaticContact CD1-CE2 3.41Å; F356-Y366 HydrophobicContact CD1-CE2 3.41Å; F356-Y366 VanDerWaalsContact CD1-CE2 3.41Å; F356-Y366 AromaticContact CE1-CD2 3.61Å; F356-Y366 HydrophobicContact CE1-CD2 3.61Å; F356-Y366 AromaticContact CE1-CE2 3.22Å; F356-Y366 HydrophobicContact CE1-CE2 3.22Å; F356-Y366 HydrophobicContact CE1-CG 4.44Å; F356-Y366 AromaticContact CE1-CZ 3.81Å; F356-Y366 HydrophobicContact CG-CE2 4.47Å; F356-Y366 HydrophobicContact CZ-CE2 4.18Å
367	Q	97.5	Very high	96.1	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.019	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156	174.4	66.7	-176.9	3.4	0	0	110.9	R157 E352 I353 Y365 L371	R157-Q367 PolarHBondContact O-N 3.5Å; E352-Q367 VanDerWaalsContact O-CA 3.3Å; E352-Q367 WeakPolarHBondContact O-CA 3.33Å; I353-Q367 HydrophobicContact CG1-CB 3.97Å; Y365-Q367 HydrophobicContact CD2-CB 4.36Å; Q367-L371 HydrophobicContact CB-CB 4.36Å; Q367-L371 PolarHBondContact OE1-O 3.07Å
368	K	97.1	Very high	96	Very high	38 Å²	38	48.1 Å²	48.1	17%	0.165	23%	0.229	C	C	.	.			trans	-66.3	151.7	164.1	-70.1	-177	179.4	168.4	0	111.2	D349 A351 E352 E370 L371	D349-K368 WeakPolarHBondContact OD1-CE 3.49Å; D349-K368 IonicContact OD1-NZ 3.15Å; D349-K368 PolarHBondContact OD1-NZ 3.49Å; D349-K368 IonicContact OD2-NZ 3.87Å; A351-K368 VanDerWaalsContact O-CE 3.28Å; A351-K368 WeakPolarHBondContact O-CE 3.29Å; E352-K368 HydrophobicContact CG-CD 4.34Å; E352-K368 PolarHBondContact O-N 3.19Å; E352-K368 IonicContact OE1-NZ 2.76Å; E352-K368 PolarHBondContact OE1-NZ 3.27Å; K368-E370 HydrophobicContact CB-CG 4.22Å; K368-E370 PolarHBondContact O-N 2.86Å; K368-E370 VanDerWaalsContact O-N 3.13Å; K368-L371 HydrophobicContact CB-CD1 4Å; K368-L371 PolarHBondContact O-N 3.44Å
369	D	94.6	Very high	96	Very high	76 Å²	76	46.9 Å²	46.9	41%	0.406	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-54.9	-34.4	-177.5	-81.6	12.8	0	0	0	113.8	T156 R157 L371 Q372	T156-D369 PolarHBondContact OG1-OD1 3.17Å; T156-D369 VanDerWaalsContact OG1-OD1 3.09Å; R157-D369 VanDerWaalsContact CD-OD1 3.28Å; R157-D369 WeakPolarHBondContact CD-OD1 3.44Å; R157-D369 WeakPolarHBondContact CG-OD1 3.29Å; R157-D369 IonicContact CZ-OD1 3.44Å; R157-D369 IonicContact CZ-OD2 2.73Å; R157-D369 IonicContact NE-OD1 2.7Å; R157-D369 PolarHBondContact NE-OD1 3.34Å; R157-D369 IonicContact NE-OD2 3.7Å; R157-D369 IonicContact NH2-OD1 2.84Å; R157-D369 IonicContact NH2-OD2 3.35Å; R157-D369 PolarHBondContact NH2-OD2 3.28Å; D369-L371 VanDerWaalsContact C-N 3.27Å; D369-L371 PolarHBondContact O-N 3.16Å; D369-Q372 VanDerWaalsContact O-CB 3.29Å; D369-Q372 WeakPolarHBondContact O-CB 3.38Å; D369-Q372 PolarHBondContact O-N 3.28Å
370	E	92.9	Very high	96	Very high	114 Å²	114	49.7 Å²	49.7	53%	0.533	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67	-23.7	-179.8	67	-174	-170.3	0	0	113.9	W178 K368 Q372	W178-E370 VanDerWaalsContact CD1-O 3.27Å; K368-E370 HydrophobicContact CB-CG 4.22Å; K368-E370 PolarHBondContact O-N 2.86Å; K368-E370 VanDerWaalsContact O-N 3.13Å; E370-Q372 VanDerWaalsContact C-N 3.33Å
371	L	94.5	Very high	96	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-87	-3.6	177.8	-72.6	98	0	0	0	113.3	I175 W178 A323 E352 I353 Q367 K368 D369 A373	I175-L371 HydrophobicContact CG1-CD2 4.01Å; W178-L371 HydrophobicContact CB-CD2 4.44Å; W178-L371 HydrophobicContact CB-CG 4.18Å; W178-L371 HydrophobicContact CD2-CD2 4.5Å; W178-L371 HydrophobicContact CD2-CG 4.32Å; W178-L371 HydrophobicContact CG-CD2 4.38Å; W178-L371 HydrophobicContact CG-CG 3.92Å; A323-L371 HydrophobicContact CB-CD2 4.01Å; E352-L371 HydrophobicContact CB-CD1 3.78Å; E352-L371 HydrophobicContact CB-CD2 4.25Å; E352-L371 HydrophobicContact CG-CD1 3.78Å; I353-L371 HydrophobicContact CD1-CD2 3.79Å; I353-L371 HydrophobicContact CG1-CD2 3.93Å; Q367-L371 HydrophobicContact CB-CB 4.36Å; Q367-L371 PolarHBondContact OE1-O 3.07Å; K368-L371 HydrophobicContact CB-CD1 4Å; K368-L371 PolarHBondContact O-N 3.44Å; D369-L371 VanDerWaalsContact C-N 3.27Å; D369-L371 PolarHBondContact O-N 3.16Å; L371-A373 PolarHBondContact O-N 3.34Å
372	Q	91.6	Very high	96	Very high	79 Å²	79	54.3 Å²	54.3	37%	0.369	27%	0.265	S	S	.	.	S	Bend	trans	-59.4	127	176	-174.1	68.3	39.6	0	0	110.5	D369 E370 D374	D369-Q372 VanDerWaalsContact O-CB 3.29Å; D369-Q372 WeakPolarHBondContact O-CB 3.38Å; D369-Q372 PolarHBondContact O-N 3.28Å; E370-Q372 VanDerWaalsContact C-N 3.33Å; Q372-D374 PolarHBondContact O-N 3.1Å
373	A	89.8	Confident	95.9	Very high	15 Å²	15	60.2 Å²	60.2	12%	0.124	29%	0.288	C	S	.	.			trans	-56.1	129.8	172.7	0	0	0	0	0	110	I177 L371 K375 R378 I379	I177-A373 HydrophobicContact CD1-CB 4.45Å; L371-A373 PolarHBondContact O-N 3.34Å; A373-K375 PolarHBondContact O-N 2.6Å; A373-R378 HydrophobicContact CB-CB 4.39Å; A373-I379 HydrophobicContact CB-CG1 4.11Å
374	D	87.9	Confident	95.9	Very high	81 Å²	81	60.8 Å²	60.8	43%	0.433	29%	0.291	S	S	.	.	S	Bend	trans	-72.1	-17.2	-173.9	61.9	-50.6	0	0	0	113.7	N181 Q372 R378	N181-D374 PolarHBondContact ND2-OD1 2.83Å; Q372-D374 PolarHBondContact O-N 3.1Å; D374-R378 IonicContact OD1-NH1 3.81Å; D374-R378 PolarHBondContact OD1-NH1 2.88Å
375	K	92.6	Very high	95.8	Very high	137 Å²	137	60.9 Å²	60.9	60%	0.596	29%	0.291	S	S	*	.	S	Bend	trans	-130.8	145.9	178.9	-59.1	-66.3	179	-177	0	110.8	A373 R378	A373-K375 PolarHBondContact O-N 2.6Å; K375-R378 HydrophobicContact CB-CG 4.27Å
376	P	95.6	Very high	95.8	Very high	101 Å²	101	62 Å²	62	66%	0.656	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	169.8	171.4	29.6	-35.6	0	0	0	111.2	R378	P376-R378 PolarHBondContact O-N 2.77Å
377	Y	97.2	Very high	95.8	Very high	171 Å²	171	62.6 Å²	62.6	67%	0.671	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-6.2	177.3	-54.5	-73.8	0	0	0	117.1	I133 F380	I133-Y377 HydrophobicContact CG2-CE1 4.39Å; Y377-F380 HydrophobicContact CD1-CD2 4.25Å; Y377-F380 HydrophobicContact CD1-CE2 4.38Å; Y377-F380 HydrophobicContact CD1-CG 4.36Å; Y377-F380 HydrophobicContact CE1-CE2 4.36Å
378	R	96.6	Very high	95.8	Very high	93 Å²	93	62.7 Å²	62.7	35%	0.351	30%	0.302	S	S	.	.	S	Bend	trans	-74.9	-44.9	174.4	-56	-168.2	72.8	-177.6	5.9	112.4	K173 I177 A373 D374 K375 P376	K173-R378 PolarHBondContact NZ-O 2.93Å; I177-R378 HydrophobicContact CD1-CB 3.92Å; A373-R378 HydrophobicContact CB-CB 4.39Å; D374-R378 IonicContact OD1-NH1 3.81Å; D374-R378 PolarHBondContact OD1-NH1 2.88Å; K375-R378 HydrophobicContact CB-CG 4.27Å; P376-R378 PolarHBondContact O-N 2.77Å
379	I	98.1	Very high	95.9	Very high	17 Å²	17	64.3 Å²	64.3	9%	0.087	31%	0.309	C	S	.	.	S	Bend	trans	-106.3	97.3	170.4	-56.4	-56.8	0	0	0	107.1	Q159 M161 N170 K173 I177 Y365 A373	Q159-I379 HydrophobicContact CG-CG2 4.01Å; M161-I379 HydrophobicContact CE-CG2 3.82Å; N170-I379 HydrophobicContact CB-CG2 4.16Å; K173-I379 HydrophobicContact CB-CD1 3.62Å; I177-I379 HydrophobicContact CD1-CD1 4.27Å; Y365-I379 WeakPolarHBondContact OH-CG2 3.19Å; A373-I379 HydrophobicContact CB-CG1 4.11Å
380	F	98.3	Very high	96.1	Very high	63 Å²	63	60.8 Å²	60.8	28%	0.276	29%	0.29	S	S	.	.			trans	-159.8	151.5	-173.9	-162.5	-91.4	0	0	0	110.4	I133 Y377 M384	I133-F380 HydrophobicContact CG2-CE2 4.13Å; I133-F380 HydrophobicContact CG2-CZ 3.92Å; Y377-F380 HydrophobicContact CD1-CD2 4.25Å; Y377-F380 HydrophobicContact CD1-CE2 4.38Å; Y377-F380 HydrophobicContact CD1-CG 4.36Å; Y377-F380 HydrophobicContact CE1-CE2 4.36Å; F380-M384 HydrophobicContact CD2-CE 4.49Å; F380-M384 HydrophobicContact CD2-SD 3.65Å; F380-M384 HydrophobicContact CE2-SD 3.9Å; F380-M384 HydrophobicContact CG-SD 4.19Å
381	N	98.5	Very high	96.3	Very high	52 Å²	52	56 Å²	56	28%	0.278	27%	0.268	S	S	.	.			trans	-157.8	175.7	160.7	59.5	69.3	0	0	0	107.9	M161 W383 M384	M161-N381 PolarHBondContact SD-ND2 2.85Å; N381-W383 VanDerWaalsContact C-N 3.32Å; N381-W383 PolarHBondContact O-N 3.4Å; N381-W383 PolarHBondContact OD1-N 3.27Å; N381-M384 WeakPolarHBondContact O-CG 3.4Å; N381-M384 PolarHBondContact OD1-N 3.18Å
382	T	98.4	Very high	96.5	Very high	97 Å²	97	57.7 Å²	57.7	60%	0.595	28%	0.276	S	S	*	.	S	Bend	trans	-54.2	-43.9	-173.2	-48.7	0	0	0	0	113.6	A130	A130-T382 WeakPolarHBondContact CA-O 3.3Å; A130-T382 WeakPolarHBondContact CB-O 3.35Å
383	W	98.6	Very high	96.9	Very high	125 Å²	125	54 Å²	54	47%	0.473	26%	0.258	S	S	.	.			trans	-109.5	-28.6	-168.5	-65.6	-41	0	0	0	115.1	R128 L131 N381 G385	R128-W383 VanDerWaalsContact CZ-CE3 3.41Å; R128-W383 VanDerWaalsContact NH1-CE3 3.3Å; L131-W383 WeakPolarHBondContact CB-O 3.4Å; L131-W383 WeakPolarHBondContact CD1-O 3.36Å; N381-W383 VanDerWaalsContact C-N 3.32Å; N381-W383 PolarHBondContact O-N 3.4Å; N381-W383 PolarHBondContact OD1-N 3.27Å; W383-G385 WeakPolarHBondContact CB-O 3.45Å; W383-G385 PolarHBondContact O-N 3.29Å; W383-G385 VanDerWaalsContact O-N 3.07Å
384	M	97.4	Very high	97.3	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.059	26%	0.256	C	S	.	.	S	Bend	trans	45.2	41.5	-178	-55.3	-180	72.1	0	0	112.8	L131 T160 F380 N381	L131-M384 HydrophobicContact CB-CB 4.21Å; T160-M384 CarbonylContact C-O 3.2Å; T160-M384 WeakPolarHBondContact CB-O 3.26Å; T160-M384 CarbonylContact O-C 3.54Å; T160-M384 PolarHBondContact OG1-O 2.96Å; F380-M384 HydrophobicContact CD2-CE 4.49Å; F380-M384 HydrophobicContact CD2-SD 3.65Å; F380-M384 HydrophobicContact CE2-SD 3.9Å; F380-M384 HydrophobicContact CG-SD 4.19Å; N381-M384 WeakPolarHBondContact O-CG 3.4Å; N381-M384 PolarHBondContact OD1-N 3.18Å
385	G	97.8	Very high	97.8	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	107.4	-151.2	-172.5	0	0	0	0	0	113	R128 M161 W383	R128-G385 PolarHBondContact NH2-O 2.74Å; M161-G385 WeakPolarHBondContact O-CA 3.37Å; W383-G385 WeakPolarHBondContact CB-O 3.45Å; W383-G385 PolarHBondContact O-N 3.29Å; W383-G385 VanDerWaalsContact O-N 3.07Å
386	D	98.6	Very high	98.1	Very high	24 Å²	24	45.3 Å²	45.3	13%	0.128	22%	0.216	C	C	.	.			trans	-160.3	118.3	-179.6	-179.9	-15.3	0	0	0	109.4	S388 K389 N390	D386-S388 PolarHBondContact O-N 3.35Å; D386-S388 VanDerWaalsContact O-N 3.13Å; D386-S388 WeakPolarHBondContact OD1-CB 3.42Å; D386-S388 PolarHBondContact OD1-N 2.86Å; D386-S388 PolarHBondContact OD1-OG 3.09Å; D386-S388 PolarHBondContact OD2-OG 3.41Å; D386-K389 HydrophobicContact CB-CG 3.91Å; D386-K389 WeakPolarHBondContact O-CB 3.27Å; D386-K389 PolarHBondContact O-N 3.01Å; D386-K389 IonicContact OD2-NZ 2.9Å; D386-K389 PolarHBondContact OD2-NZ 3.17Å; D386-N390 PolarHBondContact O-N 3.3Å; D386-N390 PolarHBondContact O-OD1 3.07Å
387	P	98.3	Very high	98.2	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-54.5	-30	178.8	-29.3	38.1	0	0	0	114.8	T124 P129 L131 P136 K389 N390 L391	T124-P387 HydrophobicContact CG2-CB 3.98Å; P129-P387 HydrophobicContact CG-CG 3.68Å; L131-P387 HydrophobicContact CD1-CG 4.3Å; L131-P387 HydrophobicContact CD2-CG 3.9Å; L131-P387 HydrophobicContact CG-CG 4.35Å; P136-P387 HydrophobicContact CG-CB 4.5Å; P136-P387 HydrophobicContact CG-CG 4.19Å; P387-K389 PolarHBondContact O-N 3.37Å; P387-N390 PolarHBondContact O-N 3.45Å; P387-L391 PolarHBondContact O-N 2.79Å
388	S	98.3	Very high	98.3	Very high	5 Å²	5	35.3 Å²	35.3	4%	0.035	17%	0.168	C	C	.	.	H	α-helix	trans	-62.3	-33.5	176.9	69.1	0	0	0	0	112	D386 F392	D386-S388 PolarHBondContact O-N 3.35Å; D386-S388 VanDerWaalsContact O-N 3.13Å; D386-S388 WeakPolarHBondContact OD1-CB 3.42Å; D386-S388 PolarHBondContact OD1-N 2.86Å; D386-S388 PolarHBondContact OD1-OG 3.09Å; D386-S388 PolarHBondContact OD2-OG 3.41Å; S388-F392 WeakPolarHBondContact O-CD2 3.36Å; S388-F392 PolarHBondContact O-N 3.17Å
389	K	98.6	Very high	98.4	Very high	73 Å²	73	30.9 Å²	30.9	32%	0.317	15%	0.152	S	C	.	.	H	α-helix	trans	-73.4	-36.8	177.9	-56.3	-63.7	170.3	-75.9	0	111	L361 D386 P387 F392 L393	L361-K389 HydrophobicContact CB-CB 4.27Å; L361-K389 HydrophobicContact CB-CD 4.46Å; D386-K389 HydrophobicContact CB-CG 3.91Å; D386-K389 WeakPolarHBondContact O-CB 3.27Å; D386-K389 PolarHBondContact O-N 3.01Å; D386-K389 IonicContact OD2-NZ 2.9Å; D386-K389 PolarHBondContact OD2-NZ 3.17Å; P387-K389 PolarHBondContact O-N 3.37Å; K389-F392 PolarHBondContact O-N 2.93Å; K389-L393 WeakPolarHBondContact O-CB 3.5Å; K389-L393 PolarHBondContact O-N 3.32Å
390	N	98	Very high	98.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-41.2	175.1	-61.7	24.3	0	0	0	111.1	I143 D386 P387 F392 L393 V394	I143-N390 WeakPolarHBondContact CD1-ND2 3.34Å; D386-N390 PolarHBondContact O-N 3.3Å; D386-N390 PolarHBondContact O-OD1 3.07Å; P387-N390 PolarHBondContact O-N 3.45Å; N390-F392 PolarHBondContact O-N 3.29Å; N390-L393 PolarHBondContact O-N 3.5Å; N390-V394 WeakPolarHBondContact O-CG2 3.13Å; N390-V394 PolarHBondContact O-N 3.35Å
391	L	98.3	Very high	98.4	Very high	13 Å²	13	33.2 Å²	33.2	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-56.8	-47.7	174.7	175.8	64.5	0	0	0	111.8	L115 N121 T124 F125 P387	L115-L391 HydrophobicContact CD1-CG 4.39Å; L115-L391 HydrophobicContact CD2-CD1 4.4Å; N121-L391 HydrophobicContact CB-CD2 3.81Å; T124-L391 HydrophobicContact CG2-CD2 4.37Å; F125-L391 HydrophobicContact CE1-CD2 4.5Å; F125-L391 HydrophobicContact CE2-CD2 4.28Å; F125-L391 HydrophobicContact CZ-CD2 3.8Å; P387-L391 PolarHBondContact O-N 2.79Å
392	F	98.6	Very high	98.4	Very high	38 Å²	38	37.7 Å²	37.7	17%	0.167	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-39.9	174.8	-73.7	-60.2	0	0	0	112.7	L112 L115 M116 F125 L361 S388 K389 N390 V394 E395 V396	L112-F392 HydrophobicContact CB-CD1 4.15Å; L112-F392 HydrophobicContact CB-CE1 4.2Å; L112-F392 HydrophobicContact CD2-CD1 3.99Å; L115-F392 HydrophobicContact CB-CE1 4.37Å; L115-F392 HydrophobicContact CD1-CD1 3.76Å; L115-F392 HydrophobicContact CD1-CE1 4.34Å; M116-F392 HydrophobicContact CG-CE1 4.15Å; M116-F392 HydrophobicContact CG-CZ 3.97Å; M116-F392 HydrophobicContact SD-CE1 4.13Å; M116-F392 HydrophobicContact SD-CE2 4.37Å; M116-F392 HydrophobicContact SD-CZ 3.44Å; M116-F392 WeakPolarHBondContact SD-CZ 3.33Å; F125-F392 AromaticContact CE1-CE2 3.67Å; F125-F392 HydrophobicContact CE1-CE2 3.67Å; F125-F392 AromaticContact CE1-CZ 3.89Å; F125-F392 HydrophobicContact CE1-CZ 3.89Å; F125-F392 HydrophobicContact CZ-CE2 4.3Å; F125-F392 HydrophobicContact CZ-CZ 4.12Å; L361-F392 HydrophobicContact CD1-CB 3.44Å; L361-F392 VanDerWaalsContact CD1-CB 3.44Å; S388-F392 WeakPolarHBondContact O-CD2 3.36Å; S388-F392 PolarHBondContact O-N 3.17Å; K389-F392 PolarHBondContact O-N 2.93Å; N390-F392 PolarHBondContact O-N 3.29Å; F392-V394 VanDerWaalsContact C-N 3.32Å; F392-V394 PolarHBondContact O-N 3.22Å; F392-E395 PolarHBondContact O-N 3.25Å; F392-E395 VanDerWaalsContact O-N 3.13Å; F392-V396 WeakPolarHBondContact O-CG2 3.48Å; F392-V396 PolarHBondContact O-N 2.86Å
393	L	98.8	Very high	98.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-40.7	-179.2	-179.9	60.5	0	0	0	111.6	L147 L360 T362 K389 N390 E395 V396 L397	L147-L393 HydrophobicContact CD2-CD2 3.57Å; L147-L393 HydrophobicContact CG-CD2 4.08Å; L360-L393 HydrophobicContact CB-CD1 4.39Å; L360-L393 HydrophobicContact CG-CD1 4.37Å; L360-L393 WeakPolarHBondContact O-CD1 3.26Å; L360-L393 WeakPolarHBondContact O-CD2 3.38Å; T362-L393 HydrophobicContact CG2-CD2 4.34Å; K389-L393 WeakPolarHBondContact O-CB 3.5Å; K389-L393 PolarHBondContact O-N 3.32Å; N390-L393 PolarHBondContact O-N 3.5Å; L393-E395 VanDerWaalsContact C-N 3.28Å; L393-E395 PolarHBondContact O-N 2.95Å; L393-V396 PolarHBondContact O-N 3.4Å; L393-L397 HydrophobicContact CD1-CD1 4.4Å; L393-L397 HydrophobicContact CD1-CD2 4.4Å; L393-L397 HydrophobicContact CD1-CG 4.1Å; L393-L397 HydrophobicContact CG-CD1 4.18Å; L393-L397 HydrophobicContact CG-CG 4.33Å; L393-L397 VanDerWaalsContact O-CG 3.29Å; L393-L397 WeakPolarHBondContact O-CG 3.49Å; L393-L397 PolarHBondContact O-N 3.24Å
394	V	98.6	Very high	98.3	Very high	13 Å²	13	36 Å²	36	8%	0.079	17%	0.165	C	C	.	.	H	α-helix	trans	-52.8	-48.9	173.6	171.7	0	0	0	0	110.5	K142 E145 N390 F392 L397 N398	K142-V394 HydrophobicContact CD-CG2 4.1Å; E145-V394 HydrophobicContact CB-CG1 4.22Å; E145-V394 HydrophobicContact CB-CG2 3.81Å; N390-V394 WeakPolarHBondContact O-CG2 3.13Å; N390-V394 PolarHBondContact O-N 3.35Å; F392-V394 VanDerWaalsContact C-N 3.32Å; F392-V394 PolarHBondContact O-N 3.22Å; V394-L397 PolarHBondContact O-N 2.82Å; V394-N398 VanDerWaalsContact O-CG 3.23Å; V394-N398 PolarHBondContact O-N 2.82Å; V394-N398 PolarHBondContact O-ND2 2.7Å
395	E	98.7	Very high	98.4	Very high	36 Å²	36	35.8 Å²	35.8	17%	0.168	16%	0.164	C	C	.	.	H	α-helix	trans	-72.1	-34.2	-179	-171	57.4	-154.5	0	0	112.9	A111 L112 L115 F392 L393 L397 N398 V399 R402	A111-E395 HydrophobicContact CB-CG 3.76Å; A111-E395 WeakPolarHBondContact CB-OE1 3.43Å; L112-E395 HydrophobicContact CD2-CB 4.11Å; L112-E395 HydrophobicContact CD2-CG 4.22Å; L115-E395 HydrophobicContact CD1-CB 3.56Å; L115-E395 HydrophobicContact CD1-CG 4.16Å; L115-E395 HydrophobicContact CG-CB 4.28Å; L115-E395 HydrophobicContact CG-CG 4.43Å; F392-E395 PolarHBondContact O-N 3.25Å; F392-E395 VanDerWaalsContact O-N 3.13Å; L393-E395 VanDerWaalsContact C-N 3.28Å; L393-E395 PolarHBondContact O-N 2.95Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.4Å; E395-N398 WeakPolarHBondContact O-CB 3.43Å; E395-N398 PolarHBondContact O-N 3.18Å; E395-N398 PolarHBondContact OE2-ND2 2.85Å; E395-V399 VanDerWaalsContact O-CG2 3.25Å; E395-V399 WeakPolarHBondContact O-CG2 3.32Å; E395-V399 PolarHBondContact O-N 3.13Å; E395-R402 IonicContact OE1-NH1 3.76Å
396	V	98.8	Very high	98.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-46.5	170.9	167.5	0	0	0	0	110.8	P104 I105 L112 L361 F392 L393 N398 V399 I400	P104-V396 HydrophobicContact CB-CG1 3.75Å; P104-V396 HydrophobicContact CG-CG1 3.8Å; P104-V396 HydrophobicContact CG-CG2 3.85Å; I105-V396 HydrophobicContact CD1-CG2 3.96Å; I105-V396 HydrophobicContact CG1-CG2 4.24Å; I105-V396 HydrophobicContact CG2-CG1 4.23Å; L112-V396 HydrophobicContact CD1-CG2 4.36Å; L112-V396 HydrophobicContact CD2-CG2 3.95Å; L361-V396 HydrophobicContact CD1-CG2 4.04Å; F392-V396 WeakPolarHBondContact O-CG2 3.48Å; F392-V396 PolarHBondContact O-N 2.86Å; L393-V396 PolarHBondContact O-N 3.4Å; V396-N398 VanDerWaalsContact C-N 3.35Å; V396-N398 PolarHBondContact O-N 3.3Å; V396-V399 PolarHBondContact O-N 2.89Å; V396-I400 HydrophobicContact CG1-CD1 3.82Å; V396-I400 HydrophobicContact CG1-CG1 4.48Å; V396-I400 VanDerWaalsContact O-CG1 3.29Å; V396-I400 WeakPolarHBondContact O-CG1 3.43Å; V396-I400 PolarHBondContact O-N 3.35Å
397	L	98.8	Very high	98.4	Very high	3 Å²	3	42 Å²	42	2%	0.016	19%	0.193	C	C	.	.	H	α-helix	trans	-66.5	-37.2	178.4	-64.7	176.3	0	0	0	112.1	S146 I150 F339 L393 V394 E395 I400 R401	S146-L397 WeakPolarHBondContact O-CD1 3.43Å; I150-L397 HydrophobicContact CD1-CD1 4.28Å; I150-L397 HydrophobicContact CD1-CD2 4.31Å; I150-L397 HydrophobicContact CG2-CD1 4.16Å; I150-L397 HydrophobicContact CG2-CD2 3.93Å; F339-L397 HydrophobicContact CE2-CD2 3.37Å; F339-L397 HydrophobicContact CZ-CD2 3.65Å; L393-L397 HydrophobicContact CD1-CD1 4.4Å; L393-L397 HydrophobicContact CD1-CD2 4.4Å; L393-L397 HydrophobicContact CD1-CG 4.1Å; L393-L397 HydrophobicContact CG-CD1 4.18Å; L393-L397 HydrophobicContact CG-CG 4.33Å; L393-L397 VanDerWaalsContact O-CG 3.29Å; L393-L397 WeakPolarHBondContact O-CG 3.49Å; L393-L397 PolarHBondContact O-N 3.24Å; V394-L397 PolarHBondContact O-N 2.82Å; E395-L397 VanDerWaalsContact C-N 3.32Å; E395-L397 PolarHBondContact O-N 3.4Å; L397-I400 HydrophobicContact CD2-CD1 4.31Å; L397-I400 PolarHBondContact O-N 3.21Å; L397-R401 WeakPolarHBondContact O-CG 3.38Å; L397-R401 PolarHBondContact O-N 3.46Å
398	N	98.6	Very high	98.4	Very high	59 Å²	59	42.6 Å²	42.6	32%	0.316	20%	0.195	S	C	.	.	H	α-helix	trans	-61.3	-44.3	173.7	-69.8	-21.1	0	0	0	111.7	V394 E395 V396 R401 R402	V394-N398 VanDerWaalsContact O-CG 3.23Å; V394-N398 PolarHBondContact O-N 2.82Å; V394-N398 PolarHBondContact O-ND2 2.7Å; E395-N398 WeakPolarHBondContact O-CB 3.43Å; E395-N398 PolarHBondContact O-N 3.18Å; E395-N398 PolarHBondContact OE2-ND2 2.85Å; V396-N398 VanDerWaalsContact C-N 3.35Å; V396-N398 PolarHBondContact O-N 3.3Å; N398-R401 PolarHBondContact O-N 3.36Å; N398-R402 WeakPolarHBondContact O-CB 3.43Å; N398-R402 PolarHBondContact O-N 3.07Å
399	V	98.5	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-49.7	174.9	172.1	0	0	0	0	110.3	I105 A111 E395 V396 R401 R402 E403 L405	I105-V399 HydrophobicContact CB-CG1 4.45Å; I105-V399 HydrophobicContact CD1-CB 4.13Å; I105-V399 HydrophobicContact CD1-CG1 4.1Å; I105-V399 HydrophobicContact CD1-CG2 3.97Å; I105-V399 HydrophobicContact CG2-CG1 4.05Å; A111-V399 HydrophobicContact CB-CG2 3.89Å; E395-V399 VanDerWaalsContact O-CG2 3.25Å; E395-V399 WeakPolarHBondContact O-CG2 3.32Å; E395-V399 PolarHBondContact O-N 3.13Å; V396-V399 PolarHBondContact O-N 2.89Å; V399-R401 VanDerWaalsContact C-N 3.28Å; V399-R401 PolarHBondContact O-N 3.33Å; V399-R402 PolarHBondContact O-N 3.41Å; V399-E403 WeakPolarHBondContact O-CB 3.36Å; V399-E403 PolarHBondContact O-N 2.9Å; V399-L405 HydrophobicContact CG1-CD1 4Å
400	I	98.7	Very high	98.4	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.051	20%	0.197	C	C	.	.	H	α-helix	trans	-53.6	-46.1	178.9	-71	167	0	0	0	111.4	I105 F339 V396 L397 N404 L405 L406 L479	I105-I400 HydrophobicContact CG2-CG1 4.39Å; F339-I400 HydrophobicContact CE2-CD1 4.41Å; V396-I400 HydrophobicContact CG1-CD1 3.82Å; V396-I400 HydrophobicContact CG1-CG1 4.48Å; V396-I400 VanDerWaalsContact O-CG1 3.29Å; V396-I400 WeakPolarHBondContact O-CG1 3.43Å; V396-I400 PolarHBondContact O-N 3.35Å; L397-I400 HydrophobicContact CD2-CD1 4.31Å; L397-I400 PolarHBondContact O-N 3.21Å; I400-N404 WeakPolarHBondContact O-CA 3.15Å; I400-N404 PolarHBondContact O-N 3.23Å; I400-L405 HydrophobicContact CG1-CD1 4.1Å; I400-L405 HydrophobicContact CG2-CB 4.48Å; I400-L405 PolarHBondContact O-N 3.45Å; I400-L406 HydrophobicContact CG2-CD2 4.24Å; I400-L406 HydrophobicContact CG2-CG 4.13Å; I400-L479 HydrophobicContact CD1-CD1 3.47Å; I400-L479 VanDerWaalsContact CD1-CD1 3.47Å; I400-L479 HydrophobicContact CG1-CD1 3.63Å
401	R	98.5	Very high	98.4	Very high	118 Å²	118	47.1 Å²	47.1	45%	0.445	22%	0.216	S	C	.	.	H	α-helix	trans	-70.1	-50.7	179	-68.4	176.4	-171.2	124	2.3	112.3	S149 L397 N398 V399 E403 N404	S149-R401 VanDerWaalsContact CB-NH2 3.3Å; S149-R401 PolarHBondContact O-NH2 2.84Å; S149-R401 PolarHBondContact OG-NH2 3.13Å; L397-R401 WeakPolarHBondContact O-CG 3.38Å; L397-R401 PolarHBondContact O-N 3.46Å; N398-R401 PolarHBondContact O-N 3.36Å; V399-R401 VanDerWaalsContact C-N 3.28Å; V399-R401 PolarHBondContact O-N 3.33Å; R401-E403 VanDerWaalsContact C-N 3.29Å; R401-E403 PolarHBondContact O-N 2.96Å; R401-N404 PolarHBondContact O-N 3.24Å
402	R	98.1	Very high	98.4	Very high	147 Å²	147	46.5 Å²	46.5	56%	0.555	21%	0.213	S	C	*	.	H	α-helix	trans	-63.5	-35.6	-174.3	-177.2	-179.9	64.5	-125.1	-4.3	112.4	E395 N398 V399	E395-R402 IonicContact OE1-NH1 3.76Å; N398-R402 WeakPolarHBondContact O-CB 3.43Å; N398-R402 PolarHBondContact O-N 3.07Å; V399-R402 PolarHBondContact O-N 3.41Å
403	E	96.9	Very high	98.4	Very high	85 Å²	85	44.8 Å²	44.8	40%	0.397	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	6.2	-175.8	-63.5	171.6	-146.7	0	0	112.6	V399 R401 L405	V399-E403 WeakPolarHBondContact O-CB 3.36Å; V399-E403 PolarHBondContact O-N 2.9Å; R401-E403 VanDerWaalsContact C-N 3.29Å; R401-E403 PolarHBondContact O-N 2.96Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 HydrophobicContact CB-CD2 3.8Å; E403-L405 HydrophobicContact CB-CG 4.06Å; E403-L405 PolarHBondContact O-N 2.99Å
404	N	97.6	Very high	98.4	Very high	100 Å²	100	51.6 Å²	51.6	54%	0.535	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	45.9	178.9	-160.5	19.8	0	0	0	113.4	I400 R401 L406 E407 E408	I400-N404 WeakPolarHBondContact O-CA 3.15Å; I400-N404 PolarHBondContact O-N 3.23Å; R401-N404 PolarHBondContact O-N 3.24Å; N404-L406 PolarHBondContact O-N 3.2Å; N404-E407 WeakPolarHBondContact ND2-CB 3.26Å; N404-E407 WeakPolarHBondContact O-CB 3.47Å; N404-E407 PolarHBondContact O-N 2.89Å; N404-E407 VanDerWaalsContact O-N 3.15Å; N404-E408 PolarHBondContact O-N 2.96Å
405	L	98.5	Very high	98.4	Very high	8 Å²	8	52 Å²	52	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-21	-169.3	-63	-173.2	0	0	0	113.9	I105 V399 I400 E403 E408 V409 L479 V480	I105-L405 HydrophobicContact CG2-CD1 3.91Å; V399-L405 HydrophobicContact CG1-CD1 4Å; I400-L405 HydrophobicContact CG1-CD1 4.1Å; I400-L405 HydrophobicContact CG2-CB 4.48Å; I400-L405 PolarHBondContact O-N 3.45Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 HydrophobicContact CB-CD2 3.8Å; E403-L405 HydrophobicContact CB-CG 4.06Å; E403-L405 PolarHBondContact O-N 2.99Å; L405-E408 PolarHBondContact O-N 3.5Å; L405-V409 VanDerWaalsContact O-CG2 3.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.42Å; L405-L479 HydrophobicContact CB-CB 4.12Å; L405-L479 HydrophobicContact CD1-CB 3.91Å; L405-V480 HydrophobicContact CD1-CG1 4.1Å; L405-V480 HydrophobicContact CD2-CG1 4.45Å
406	L	98.6	Very high	98.4	Very high	43 Å²	43	50.2 Å²	50.2	23%	0.225	23%	0.232	C	C	.	.	H	α-helix	trans	-69.8	-37	175	-59	-172.8	0	0	0	112	F339 I400 N404 V409 T410	F339-L406 HydrophobicContact CB-CD1 4.38Å; I400-L406 HydrophobicContact CG2-CD2 4.24Å; I400-L406 HydrophobicContact CG2-CG 4.13Å; N404-L406 PolarHBondContact O-N 3.2Å; L406-V409 PolarHBondContact O-N 2.69Å; L406-T410 PolarHBondContact O-N 3.41Å; L406-T410 VanDerWaalsContact O-N 3.09Å; L406-T410 PolarHBondContact O-OG1 2.9Å
407	E	98.4	Very high	98.4	Very high	112 Å²	112	51.5 Å²	51.5	52%	0.523	24%	0.238	S	C	.	.	H	α-helix	trans	-67.7	-41.1	172.4	-175.1	60.4	-154.3	0	0	110.5	N404 V409 T410 R411	N404-E407 WeakPolarHBondContact ND2-CB 3.26Å; N404-E407 WeakPolarHBondContact O-CB 3.47Å; N404-E407 PolarHBondContact O-N 2.89Å; N404-E407 VanDerWaalsContact O-N 3.15Å; E407-V409 VanDerWaalsContact C-N 3.35Å; E407-V409 PolarHBondContact O-N 2.76Å; E407-T410 WeakPolarHBondContact O-CB 3.42Å; E407-T410 PolarHBondContact O-N 3.11Å; E407-T410 VanDerWaalsContact O-N 3.12Å; E407-R411 PolarHBondContact O-N 3.22Å
408	E	97.9	Very high	98.4	Very high	27 Å²	27	55 Å²	55	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-45.6	175	-175.8	57.1	-147.7	0	0	111.7	N404 L405 T410 R411 S412 K482	N404-E408 PolarHBondContact O-N 2.96Å; L405-E408 PolarHBondContact O-N 3.5Å; E408-T410 VanDerWaalsContact C-N 3.28Å; E408-T410 PolarHBondContact O-N 3.38Å; E408-R411 PolarHBondContact O-N 3.16Å; E408-R411 IonicContact OE1-CZ 2.86Å; E408-R411 IonicContact OE1-NE 3.84Å; E408-R411 IonicContact OE1-NH2 3.93Å; E408-R411 PolarHBondContact OE1-NH2 2.91Å; E408-R411 IonicContact OE2-CZ 2.87Å; E408-R411 IonicContact OE2-NE 2.65Å; E408-R411 PolarHBondContact OE2-NE 3.37Å; E408-R411 VanDerWaalsContact OE2-NE 3.15Å; E408-R411 IonicContact OE2-NH2 3.36Å; E408-R411 PolarHBondContact OE2-NH2 3.28Å; E408-S412 WeakPolarHBondContact O-CB 3.38Å; E408-S412 PolarHBondContact O-N 2.86Å; E408-S412 PolarHBondContact O-OG 2.89Å; E408-S412 VanDerWaalsContact O-OG 3.07Å; E408-K482 HydrophobicContact CG-CG 4.2Å; E408-K482 WeakPolarHBondContact OE1-CA 3.19Å; E408-K482 WeakPolarHBondContact OE1-CB 3.19Å
409	V	98.6	Very high	98.4	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-38.3	175	166.5	0	0	0	0	112	G334 C335 L405 L406 E407 G413 T439 L479	G334-V409 WeakPolarHBondContact O-CG1 3.43Å; C335-V409 VanDerWaalsContact O-CG1 3.28Å; C335-V409 WeakPolarHBondContact O-CG1 3.36Å; L405-V409 VanDerWaalsContact O-CG2 3.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 3.42Å; L406-V409 PolarHBondContact O-N 2.69Å; E407-V409 VanDerWaalsContact C-N 3.35Å; E407-V409 PolarHBondContact O-N 2.76Å; V409-G413 VanDerWaalsContact O-CA 3.29Å; V409-G413 WeakPolarHBondContact O-CA 3.46Å; V409-G413 PolarHBondContact O-N 2.74Å; V409-T439 HydrophobicContact CG1-CG2 4.12Å; V409-L479 HydrophobicContact CG2-CB 4.42Å; V409-L479 HydrophobicContact CG2-CD2 3.66Å
410	T	98.4	Very high	98.4	Very high	63 Å²	63	52.2 Å²	52.2	39%	0.387	24%	0.243	S	C	.	.	H	α-helix	trans	-64.5	-44.9	176.5	-60.8	0	0	0	0	110.7	G337 L406 E407 E408 K414	G337-T410 WeakPolarHBondContact CA-OG1 3.48Å; L406-T410 PolarHBondContact O-N 3.41Å; L406-T410 VanDerWaalsContact O-N 3.09Å; L406-T410 PolarHBondContact O-OG1 2.9Å; E407-T410 WeakPolarHBondContact O-CB 3.42Å; E407-T410 PolarHBondContact O-N 3.11Å; E407-T410 VanDerWaalsContact O-N 3.12Å; E408-T410 VanDerWaalsContact C-N 3.28Å; E408-T410 PolarHBondContact O-N 3.38Å; T410-K414 WeakPolarHBondContact O-CB 3.47Å; T410-K414 PolarHBondContact O-N 3.37Å; T410-K414 VanDerWaalsContact O-N 3.11Å
411	R	98.3	Very high	98.4	Very high	110 Å²	110	56 Å²	56	42%	0.415	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-55.5	178.8	-175.6	179.1	70.5	115.2	-12.6	112.6	E407 E408 G413 K414 A415 E483	E407-R411 PolarHBondContact O-N 3.22Å; E408-R411 PolarHBondContact O-N 3.16Å; E408-R411 IonicContact OE1-CZ 2.86Å; E408-R411 IonicContact OE1-NE 3.84Å; E408-R411 IonicContact OE1-NH2 3.93Å; E408-R411 PolarHBondContact OE1-NH2 2.91Å; E408-R411 IonicContact OE2-CZ 2.87Å; E408-R411 IonicContact OE2-NE 2.65Å; E408-R411 PolarHBondContact OE2-NE 3.37Å; E408-R411 VanDerWaalsContact OE2-NE 3.15Å; E408-R411 IonicContact OE2-NH2 3.36Å; E408-R411 PolarHBondContact OE2-NH2 3.28Å; R411-G413 VanDerWaalsContact C-N 3.33Å; R411-G413 PolarHBondContact O-N 3.13Å; R411-K414 PolarHBondContact O-N 2.88Å; R411-A415 PolarHBondContact O-N 3.23Å; R411-A415 VanDerWaalsContact O-N 3.16Å; R411-E483 IonicContact CZ-OE2 2.7Å; R411-E483 IonicContact NH1-OE2 3.66Å; R411-E483 PolarHBondContact NH1-OE2 3.36Å
412	S	98.1	Very high	98.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-33.5	-177.8	69.2	0	0	0	0	111.8	E408 A415 L416 T439 F481 V486	E408-S412 WeakPolarHBondContact O-CB 3.38Å; E408-S412 PolarHBondContact O-N 2.86Å; E408-S412 PolarHBondContact O-OG 2.89Å; E408-S412 VanDerWaalsContact O-OG 3.07Å; S412-A415 PolarHBondContact O-N 2.95Å; S412-L416 WeakPolarHBondContact O-CB 3.42Å; S412-L416 PolarHBondContact O-N 3.45Å; S412-T439 WeakPolarHBondContact OG-CG2 3.31Å; S412-F481 VanDerWaalsContact CB-O 3.28Å; S412-F481 WeakPolarHBondContact CB-O 3.32Å; S412-F481 PolarHBondContact OG-O 3.31Å; S412-V486 WeakPolarHBondContact O-CG2 3.48Å
413	G	98.7	Very high	98.4	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-61.3	-44.2	172.2	0	0	0	0	0	113.3	V409 R411 L416 L417 G438	V409-G413 VanDerWaalsContact O-CA 3.29Å; V409-G413 WeakPolarHBondContact O-CA 3.46Å; V409-G413 PolarHBondContact O-N 2.74Å; R411-G413 VanDerWaalsContact C-N 3.33Å; R411-G413 PolarHBondContact O-N 3.13Å; G413-L416 PolarHBondContact O-N 3.14Å; G413-L417 WeakPolarHBondContact O-CB 3.34Å; G413-L417 PolarHBondContact O-N 3.32Å; G413-G438 CarbonylContact C-O 3.58Å; G413-G438 VanDerWaalsContact CA-C 3.43Å; G413-G438 WeakPolarHBondContact CA-O 3.44Å
414	K	98.6	Very high	98.5	Very high	144 Å²	144	46 Å²	46	63%	0.626	22%	0.222	S	C	*	.	H	α-helix	trans	-61.4	-44.6	174.1	-176.9	177.6	-179.4	177.9	0	111.9	T410 R411 L416 L417 N418	T410-K414 WeakPolarHBondContact O-CB 3.47Å; T410-K414 PolarHBondContact O-N 3.37Å; T410-K414 VanDerWaalsContact O-N 3.11Å; R411-K414 PolarHBondContact O-N 2.88Å; K414-L416 VanDerWaalsContact C-N 3.33Å; K414-L417 PolarHBondContact O-N 3.44Å; K414-N418 WeakPolarHBondContact O-CB 3.36Å; K414-N418 VanDerWaalsContact O-CG 3.25Å; K414-N418 PolarHBondContact O-N 3.22Å
415	A	98.6	Very high	98.5	Very high	21 Å²	21	45 Å²	45	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.4	0	0	0	0	0	111.6	R411 S412 G419 E483 V486	R411-A415 PolarHBondContact O-N 3.23Å; R411-A415 VanDerWaalsContact O-N 3.16Å; S412-A415 PolarHBondContact O-N 2.95Å; A415-G419 PolarHBondContact O-N 3.08Å; A415-E483 HydrophobicContact CB-CG 4.04Å; A415-V486 HydrophobicContact CB-CG1 4.19Å; A415-V486 HydrophobicContact CB-CG2 4.35Å
416	L	98.8	Very high	98.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.9	-52.5	177.1	176.5	60.1	0	0	0	111.3	S412 G413 K414 N418 G419 L420 C441 F475 V486 F489	S412-L416 WeakPolarHBondContact O-CB 3.42Å; S412-L416 PolarHBondContact O-N 3.45Å; G413-L416 PolarHBondContact O-N 3.14Å; K414-L416 VanDerWaalsContact C-N 3.33Å; L416-N418 PolarHBondContact O-N 3.36Å; L416-G419 PolarHBondContact O-N 3.1Å; L416-L420 HydrophobicContact CD1-CD1 4.37Å; L416-L420 HydrophobicContact CD1-CG 4.35Å; L416-L420 HydrophobicContact CG-CD1 4.29Å; L416-L420 WeakPolarHBondContact O-CG 3.2Å; L416-L420 PolarHBondContact O-N 2.81Å; L416-C441 HydrophobicContact CD2-CB 4.01Å; L416-C441 HydrophobicContact CG-CB 4.38Å; L416-F475 HydrophobicContact CD2-CB 3.92Å; L416-F475 HydrophobicContact CD2-CG 4.22Å; L416-V486 HydrophobicContact CB-CG1 4.16Å; L416-V486 HydrophobicContact CB-CG2 4.25Å; L416-V486 HydrophobicContact CD1-CG1 4.46Å; L416-F489 HydrophobicContact CD1-CD1 3.58Å; L416-F489 HydrophobicContact CD1-CE1 3.4Å; L416-F489 VanDerWaalsContact CD1-CE1 3.4Å; L416-F489 HydrophobicContact CD1-CZ 4.31Å
417	L	98.7	Very high	98.4	Very high	28 Å²	28	47 Å²	47	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-63.6	-41.3	-177.4	-175.5	58.6	0	0	0	112.1	G413 K414 L420 Y421	G413-L417 WeakPolarHBondContact O-CB 3.34Å; G413-L417 PolarHBondContact O-N 3.32Å; K414-L417 PolarHBondContact O-N 3.44Å; L417-L420 PolarHBondContact O-N 3.02Å; L417-Y421 HydrophobicContact CD1-CE1 4.34Å; L417-Y421 HydrophobicContact CD1-CE2 4.04Å; L417-Y421 HydrophobicContact CD2-CE2 4.11Å; L417-Y421 HydrophobicContact CG-CD2 4.25Å; L417-Y421 HydrophobicContact CG-CE2 3.63Å; L417-Y421 WeakPolarHBondContact O-CD2 3.42Å; L417-Y421 PolarHBondContact O-N 2.88Å
418	N	98.6	Very high	98.3	Very high	76 Å²	76	46.3 Å²	46.3	41%	0.406	24%	0.24	S	C	.	.	H	α-helix	trans	-61	-45.3	174.7	-74.1	-10.3	0	0	0	111.8	K414 L416 L420 Y421 E422	K414-N418 WeakPolarHBondContact O-CB 3.36Å; K414-N418 VanDerWaalsContact O-CG 3.25Å; K414-N418 PolarHBondContact O-N 3.22Å; L416-N418 PolarHBondContact O-N 3.36Å; N418-L420 VanDerWaalsContact C-N 3.29Å; N418-L420 PolarHBondContact O-N 3.23Å; N418-Y421 WeakPolarHBondContact O-CB 3.46Å; N418-Y421 PolarHBondContact O-N 3.48Å; N418-Y421 VanDerWaalsContact O-N 3.15Å; N418-E422 WeakPolarHBondContact O-CG 3.46Å; N418-E422 PolarHBondContact O-N 3.09Å
419	G	98.7	Very high	98.2	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-36.5	175.6	0	0	0	0	0	112.9	A415 L416 E422 L423	A415-G419 PolarHBondContact O-N 3.08Å; L416-G419 PolarHBondContact O-N 3.1Å; G419-E422 PolarHBondContact O-N 3.04Å; G419-L423 WeakPolarHBondContact O-CG 3.31Å; G419-L423 PolarHBondContact O-N 3Å
420	L	98.7	Very high	98.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-38.7	173.6	-68	174.7	0	0	0	112.3	L416 L417 N418 L423 Q424 A434 C441 I443 F475 F489	L416-L420 HydrophobicContact CD1-CD1 4.37Å; L416-L420 HydrophobicContact CD1-CG 4.35Å; L416-L420 HydrophobicContact CG-CD1 4.29Å; L416-L420 WeakPolarHBondContact O-CG 3.2Å; L416-L420 PolarHBondContact O-N 2.81Å; L417-L420 PolarHBondContact O-N 3.02Å; N418-L420 VanDerWaalsContact C-N 3.29Å; N418-L420 PolarHBondContact O-N 3.23Å; L420-L423 PolarHBondContact O-N 2.86Å; L420-Q424 WeakPolarHBondContact O-CB 3.31Å; L420-Q424 PolarHBondContact O-N 3.28Å; L420-A434 HydrophobicContact CB-CB 4.09Å; L420-C441 HydrophobicContact CD1-CB 3.89Å; L420-I443 HydrophobicContact CD2-CD1 4.48Å; L420-I443 HydrophobicContact CD2-CG2 4.45Å; L420-F475 HydrophobicContact CD1-CD2 3.89Å; L420-F475 HydrophobicContact CD1-CE2 3.56Å; L420-F475 HydrophobicContact CD1-CZ 4.4Å; L420-F475 HydrophobicContact CD2-CE2 3.72Å; L420-F475 HydrophobicContact CD2-CZ 3.75Å; L420-F475 HydrophobicContact CG-CE2 4.29Å; L420-F489 HydrophobicContact CD2-CE1 4.06Å; L420-F489 HydrophobicContact CD2-CZ 3.91Å
421	Y	98.6	Very high	98.2	Very high	90 Å²	90	45.2 Å²	45.2	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-41.4	173.5	-69.3	-44.2	0	0	0	112.4	L417 N418 Q424 A425 A434	L417-Y421 HydrophobicContact CD1-CE1 4.34Å; L417-Y421 HydrophobicContact CD1-CE2 4.04Å; L417-Y421 HydrophobicContact CD2-CE2 4.11Å; L417-Y421 HydrophobicContact CG-CD2 4.25Å; L417-Y421 HydrophobicContact CG-CE2 3.63Å; L417-Y421 WeakPolarHBondContact O-CD2 3.42Å; L417-Y421 PolarHBondContact O-N 2.88Å; N418-Y421 WeakPolarHBondContact O-CB 3.46Å; N418-Y421 PolarHBondContact O-N 3.48Å; N418-Y421 VanDerWaalsContact O-N 3.15Å; Y421-Q424 PolarHBondContact O-N 2.78Å; Y421-A425 WeakPolarHBondContact O-CB 3.08Å; Y421-A425 PolarHBondContact O-N 2.81Å; Y421-A434 HydrophobicContact CD1-CB 3.67Å; Y421-A434 HydrophobicContact CE1-CB 3.79Å; Y421-A434 WeakPolarHBondContact CE1-O 3.34Å
422	E	98.5	Very high	98.2	Very high	99 Å²	99	42.2 Å²	42.2	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-45.9	176.4	-69.9	172.3	-169	0	0	111.7	Y27 N418 G419 Q424 A425 Q426	Y27-E422 WeakPolarHBondContact CE1-OE2 3.43Å; Y27-E422 VanDerWaalsContact CZ-OE2 3.29Å; Y27-E422 PolarHBondContact OH-OE2 2.63Å; N418-E422 WeakPolarHBondContact O-CG 3.46Å; N418-E422 PolarHBondContact O-N 3.09Å; G419-E422 PolarHBondContact O-N 3.04Å; E422-Q424 VanDerWaalsContact C-N 3.35Å; E422-Q424 PolarHBondContact O-N 3Å; E422-A425 PolarHBondContact O-N 2.5Å; E422-Q426 WeakPolarHBondContact O-CB 3.44Å; E422-Q426 PolarHBondContact O-N 2.82Å
423	L	98.4	Very high	98.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.7	-41.1	174.8	-68.7	178	0	0	0	111.6	G419 L420 A425 Q426 Y427 L431 L490 F493 N494 L497	G419-L423 WeakPolarHBondContact O-CG 3.31Å; G419-L423 PolarHBondContact O-N 3Å; L420-L423 PolarHBondContact O-N 2.86Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.37Å; L423-Q426 PolarHBondContact O-N 3.35Å; L423-Y427 HydrophobicContact CD2-CE2 4.17Å; L423-Y427 VanDerWaalsContact O-CD2 3.3Å; L423-Y427 WeakPolarHBondContact O-CD2 3.4Å; L423-Y427 PolarHBondContact O-N 3.35Å; L423-L431 HydrophobicContact CB-CD1 4.05Å; L423-L490 HydrophobicContact CD1-CD2 3.76Å; L423-L490 HydrophobicContact CG-CD2 4.38Å; L423-F493 HydrophobicContact CD1-CD1 3.66Å; L423-F493 HydrophobicContact CD1-CE1 4.35Å; L423-N494 HydrophobicContact CD2-CB 3.92Å; L423-L497 HydrophobicContact CB-CD1 4.3Å; L423-L497 HydrophobicContact CD1-CD1 4.09Å; L423-L497 HydrophobicContact CD2-CD1 4.13Å; L423-L497 HydrophobicContact CG-CD1 4.42Å
424	Q	98.3	Very high	98.2	Very high	41 Å²	41	44.2 Å²	44.2	19%	0.192	25%	0.249	C	C	.	.	H	α-helix	trans	-59.2	-45.3	174.9	-175	-177.9	-81.7	0	0	111.7	L420 Y421 E422 Q426 Y427 P428 L431 I443	L420-Q424 WeakPolarHBondContact O-CB 3.31Å; L420-Q424 PolarHBondContact O-N 3.28Å; Y421-Q424 PolarHBondContact O-N 2.78Å; E422-Q424 VanDerWaalsContact C-N 3.35Å; E422-Q424 PolarHBondContact O-N 3Å; Q424-Q426 VanDerWaalsContact C-N 3.27Å; Q424-Q426 PolarHBondContact O-N 2.67Å; Q424-Y427 CarbonylContact O-C 3.55Å; Q424-Y427 PolarHBondContact O-N 3.35Å; Q424-P428 WeakPolarHBondContact O-CA 3.41Å; Q424-L431 HydrophobicContact CB-CB 4.43Å; Q424-L431 HydrophobicContact CG-CB 4.39Å; Q424-I443 HydrophobicContact CB-CD1 4.27Å
425	A	97.6	Very high	98.2	Very high	78 Å²	78	37.6 Å²	37.6	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-64.6	-33.2	177.7	0	0	0	0	0	112.3	Y421 E422 L423	Y421-A425 WeakPolarHBondContact O-CB 3.08Å; Y421-A425 PolarHBondContact O-N 2.81Å; E422-A425 PolarHBondContact O-N 2.5Å; L423-A425 VanDerWaalsContact C-N 3.33Å; L423-A425 PolarHBondContact O-N 3.37Å
426	Q	97.8	Very high	98.2	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-77.4	-30.3	177.9	-170.3	176.3	16.7	0	0	113.3	E422 L423 Q424 P428 N494	E422-Q426 WeakPolarHBondContact O-CB 3.44Å; E422-Q426 PolarHBondContact O-N 2.82Å; L423-Q426 PolarHBondContact O-N 3.35Å; Q424-Q426 VanDerWaalsContact C-N 3.27Å; Q424-Q426 PolarHBondContact O-N 2.67Å; Q426-P428 VanDerWaalsContact C-CD 3.4Å; Q426-N494 PolarHBondContact OE1-OD1 3.2Å
427	Y	98	Very high	98.2	Very high	11 Å²	11	40.5 Å²	40.5	4%	0.043	24%	0.236	C	C	.	.			trans	-126.4	55.1	-176.7	-57.5	-88.4	0	0	0	112.8	L423 Q424 G429 L430 L431 N494 L497 K501	L423-Y427 HydrophobicContact CD2-CE2 4.17Å; L423-Y427 VanDerWaalsContact O-CD2 3.3Å; L423-Y427 WeakPolarHBondContact O-CD2 3.4Å; L423-Y427 PolarHBondContact O-N 3.35Å; Q424-Y427 CarbonylContact O-C 3.55Å; Q424-Y427 PolarHBondContact O-N 3.35Å; Y427-G429 VanDerWaalsContact C-N 3.27Å; Y427-G429 PolarHBondContact O-N 3.32Å; Y427-L430 PolarHBondContact O-N 2.88Å; Y427-L431 PolarHBondContact O-N 2.9Å; Y427-N494 WeakPolarHBondContact CE2-OD1 3.38Å; Y427-N494 PolarHBondContact OH-OD1 2.72Å; Y427-L497 HydrophobicContact CD1-CB 4.15Å; Y427-L497 HydrophobicContact CD2-CB 4.12Å; Y427-L497 HydrophobicContact CD2-CD1 3.95Å; Y427-L497 HydrophobicContact CE1-CB 3.9Å; Y427-L497 HydrophobicContact CE2-CB 3.94Å; Y427-L497 HydrophobicContact CE2-CD1 4.1Å; Y427-L497 HydrophobicContact CG-CB 4.26Å; Y427-K501 HydrophobicContact CD1-CG 4.01Å; Y427-K501 HydrophobicContact CE1-CD 4.15Å; Y427-K501 HydrophobicContact CE1-CG 3.81Å
428	P	96.7	Very high	98.2	Very high	97 Å²	97	40 Å²	40	63%	0.63	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.9	-169.9	28.4	-36.6	0	0	0	114.3	Q424 Q426 L430	Q424-P428 WeakPolarHBondContact O-CA 3.41Å; Q426-P428 VanDerWaalsContact C-CD 3.4Å; P428-L430 VanDerWaalsContact C-N 3.3Å
429	G	96.1	Very high	98.2	Very high	60 Å²	60	36.4 Å²	36.4	62%	0.619	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.7	173	0	0	0	0	0	114.2	Y427	Y427-G429 VanDerWaalsContact C-N 3.27Å; Y427-G429 PolarHBondContact O-N 3.32Å
430	L	97.8	Very high	98.2	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-37.2	-176.3	-179.5	57.7	0	0	0	112.2	Y427 P428 V445 R446 T450 L454 L497 N500	Y427-L430 PolarHBondContact O-N 2.88Å; P428-L430 VanDerWaalsContact C-N 3.3Å; L430-V445 HydrophobicContact CD1-CG1 3.92Å; L430-V445 CarbonylContact O-C 3.36Å; L430-V445 WeakPolarHBondContact O-CA 3.22Å; L430-R446 PolarHBondContact O-N 3.15Å; L430-T450 HydrophobicContact CD1-CG2 3.46Å; L430-T450 VanDerWaalsContact CD1-CG2 3.46Å; L430-L454 HydrophobicContact CD1-CD1 4.36Å; L430-L454 HydrophobicContact CD2-CD1 4.49Å; L430-L497 HydrophobicContact CD2-CB 4.49Å; L430-L497 HydrophobicContact CD2-CD2 3.59Å; L430-L497 HydrophobicContact CG-CD2 4.36Å; L430-N500 HydrophobicContact CD2-CB 4.26Å
431	L	98.6	Very high	98.2	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.7	-172.3	-62.5	-179.7	0	0	0	111.3	L423 Q424 Y427 I443 D444 V445 L497	L423-L431 HydrophobicContact CB-CD1 4.05Å; Q424-L431 HydrophobicContact CB-CB 4.43Å; Q424-L431 HydrophobicContact CG-CB 4.39Å; Y427-L431 PolarHBondContact O-N 2.9Å; L431-I443 HydrophobicContact CB-CD1 3.87Å; L431-I443 HydrophobicContact CB-CG1 4.36Å; L431-I443 HydrophobicContact CD1-CD1 3.94Å; L431-I443 HydrophobicContact CD2-CD1 4.15Å; L431-I443 HydrophobicContact CD2-CG1 4.4Å; L431-I443 HydrophobicContact CG-CD1 4.21Å; L431-D444 WeakPolarHBondContact CA-O 3.38Å; L431-V445 HydrophobicContact CD2-CG2 4.3Å; L431-L497 HydrophobicContact CD1-CD1 3.7Å; L431-L497 HydrophobicContact CD1-CD2 4.02Å; L431-L497 HydrophobicContact CD2-CD2 4.07Å; L431-L497 HydrophobicContact CG-CD2 4.23Å
432	S	98.4	Very high	98.2	Very high	46 Å²	46	32 Å²	32	32%	0.322	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	166.9	174.5	66.4	0	0	0	0	111.7	A434 I443 D444	S432-A434 VanDerWaalsContact C-N 3.28Å; S432-A434 PolarHBondContact O-N 3.12Å; S432-I443 WeakPolarHBondContact O-CG1 3.49Å; S432-D444 PolarHBondContact N-O 3.4Å; S432-D444 WeakPolarHBondContact O-CA 3.1Å; S432-D444 WeakPolarHBondContact O-CB 3.34Å; S432-D444 PolarHBondContact O-N 3.15Å
433	R	98.2	Very high	98.2	Very high	43 Å²	43	27.3 Å²	27.3	16%	0.162	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.4	39.2	171.2	-52.8	178.3	68.7	-140.4	5.7	113.9	L251 Y253 R435 D444	L251-R433 PolarHBondContact O-NH2 3.18Å; Y253-R433 HydrophobicContact CD2-CB 3.97Å; Y253-R433 HydrophobicContact CD2-CG 4.06Å; Y253-R433 HydrophobicContact CG-CB 4.23Å; Y253-R433 HydrophobicContact CG-CG 4.41Å; R433-R435 PolarHBondContact O-N 3.21Å; R433-R435 PolarHBondContact O-NH1 3.48Å; R433-D444 HydrophobicContact CB-CB 4.34Å; R433-D444 WeakPolarHBondContact CD-OD2 3.37Å; R433-D444 IonicContact CZ-OD2 3.58Å; R433-D444 IonicContact NE-OD2 2.69Å; R433-D444 IonicContact NH1-OD2 3.42Å; R433-D444 PolarHBondContact NH1-OD2 3.37Å
434	A	98.6	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	131.6	167.2	0	0	0	0	0	109.6	L420 Y421 S432 A442 I443	L420-A434 HydrophobicContact CB-CB 4.09Å; Y421-A434 HydrophobicContact CD1-CB 3.67Å; Y421-A434 HydrophobicContact CE1-CB 3.79Å; Y421-A434 WeakPolarHBondContact CE1-O 3.34Å; S432-A434 VanDerWaalsContact C-N 3.28Å; S432-A434 PolarHBondContact O-N 3.12Å; A434-A442 WeakPolarHBondContact CA-O 3.12Å; A434-I443 HydrophobicContact CB-CD1 3.97Å; A434-I443 HydrophobicContact CB-CG1 4.09Å
435	R	98.7	Very high	98.3	Very high	6 Å²	6	25.6 Å²	25.6	2%	0.023	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.9	-172.3	61.2	-166.2	176.7	-86.2	6	110.7	Y253 G301 D302 R433 C441 A442 D444 S472	Y253-R435 HydrophobicContact CE1-CB 3.64Å; Y253-R435 WeakPolarHBondContact OH-CD 3.16Å; G301-R435 PolarHBondContact O-NH2 2.92Å; D302-R435 PolarHBondContact O-NE 2.99Å; R433-R435 PolarHBondContact O-N 3.21Å; R433-R435 PolarHBondContact O-NH1 3.48Å; R435-C441 CarbonylContact O-C 3.6Å; R435-C441 VanDerWaalsContact O-CA 3.27Å; R435-C441 WeakPolarHBondContact O-CA 3.43Å; R435-A442 HydrophobicContact CG-CB 4.4Å; R435-A442 PolarHBondContact N-O 2.45Å; R435-A442 PolarHBondContact O-N 2.94Å; R435-A442 VanDerWaalsContact O-O 3.14Å; R435-D444 IonicContact CZ-OD1 3.25Å; R435-D444 VanDerWaalsContact CZ-OD1 3.31Å; R435-D444 IonicContact NH1-OD1 3.43Å; R435-D444 PolarHBondContact NH1-OD1 3.46Å; R435-D444 IonicContact NH1-OD2 3.93Å; R435-D444 IonicContact NH2-OD1 2.72Å; R435-D444 PolarHBondContact NH2-OD1 3.4Å; R435-S472 PolarHBondContact NH2-OG 2.67Å
436	G	98.4	Very high	98.2	Very high	20 Å²	20	28.1 Å²	28.1	21%	0.206	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.1	171.2	172.7	0	0	0	0	0	114.4	F440	G436-F440 WeakPolarHBondContact CA-O 3.3Å
437	Q	98.6	Very high	98.2	Very high	61 Å²	61	26.5 Å²	26.5	29%	0.285	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	124.3	174.2	-172.6	170.1	-0.4	0	0	108.8	I296 T336 H344 F440	I296-Q437 HydrophobicContact CD1-CB 4.37Å; T336-Q437 WeakPolarHBondContact CA-O 3.38Å; H344-Q437 PolarHBondContact CD2-NE2 2.97Å; H344-Q437 PolarHBondContact CE1-NE2 3.09Å; H344-Q437 VanDerWaalsContact CE1-NE2 3.29Å; H344-Q437 PolarHBondContact ND1-NE2 3.29Å; H344-Q437 VanDerWaalsContact ND1-NE2 3.17Å; H344-Q437 PolarHBondContact NE2-NE2 3.25Å; H344-Q437 VanDerWaalsContact NE2-NE2 3.17Å; Q437-F440 PolarHBondContact N-O 3.39Å; Q437-F440 WeakPolarHBondContact O-CB 3.27Å; Q437-F440 PolarHBondContact O-N 2.88Å
438	G	98.6	Very high	98.2	Very high	18 Å²	18	28 Å²	28	19%	0.186	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-137.9	-163.9	0	0	0	0	0	110.6	G413 F440 C441	G413-G438 CarbonylContact C-O 3.58Å; G413-G438 VanDerWaalsContact CA-C 3.43Å; G413-G438 WeakPolarHBondContact CA-O 3.44Å; G438-F440 VanDerWaalsContact C-N 3.3Å; G438-C441 PolarHBondContact O-SG 2.91Å
439	T	98.8	Very high	98.2	Very high	1 Å²	1	26 Å²	26	1%	0.006	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.7	175.7	55.5	0	0	0	0	113.3	C335 V409 S412 C441 P477 F481	C335-T439 PolarHBondContact O-N 3.08Å; C335-T439 PolarHBondContact O-OG1 3.28Å; V409-T439 HydrophobicContact CG1-CG2 4.12Å; S412-T439 WeakPolarHBondContact OG-CG2 3.31Å; T439-C441 VanDerWaalsContact C-N 3.29Å; T439-C441 PolarHBondContact O-N 2.97Å; T439-P477 VanDerWaalsContact CB-CG 3.49Å; T439-P477 HydrophobicContact CG2-CG 3.99Å; T439-F481 HydrophobicContact CG2-CD1 4.47Å
440	F	98.9	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	79.9	174.1	-156	-79.5	0	0	0	109.9	I296 A298 Q330 T331 C335 T336 G436 Q437 G438 R476	I296-F440 HydrophobicContact CB-CD1 4.46Å; I296-F440 HydrophobicContact CB-CE1 3.99Å; I296-F440 HydrophobicContact CD1-CD1 3.97Å; I296-F440 HydrophobicContact CD1-CE1 4.35Å; I296-F440 HydrophobicContact CD1-CG 4.49Å; I296-F440 HydrophobicContact CG2-CD1 4.08Å; I296-F440 HydrophobicContact CG2-CE1 3.62Å; A298-F440 HydrophobicContact CB-CZ 4.11Å; Q330-F440 HydrophobicContact CG-CE2 4.25Å; T331-F440 HydrophobicContact CG2-CE2 4.15Å; T331-F440 HydrophobicContact CG2-CZ 4.05Å; C335-F440 HydrophobicContact CB-CD2 4.48Å; C335-F440 PolarHBondContact O-N 3.13Å; C335-F440 WeakPolarHBondContact SG-CD2 3.4Å; T336-F440 HydrophobicContact CG2-CB 4.28Å; G436-F440 WeakPolarHBondContact CA-O 3.3Å; Q437-F440 PolarHBondContact N-O 3.39Å; Q437-F440 WeakPolarHBondContact O-CB 3.27Å; Q437-F440 PolarHBondContact O-N 2.88Å; G438-F440 VanDerWaalsContact C-N 3.3Å; F440-R476 VanDerWaalsContact CZ-NE 3.32Å
441	C	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	160.6	-175.2	-65.2	0	0	0	0	112	L416 L420 R435 G438 T439 F475 R476	L416-C441 HydrophobicContact CD2-CB 4.01Å; L416-C441 HydrophobicContact CG-CB 4.38Å; L420-C441 HydrophobicContact CD1-CB 3.89Å; R435-C441 CarbonylContact O-C 3.6Å; R435-C441 VanDerWaalsContact O-CA 3.27Å; R435-C441 WeakPolarHBondContact O-CA 3.43Å; G438-C441 PolarHBondContact O-SG 2.91Å; T439-C441 VanDerWaalsContact C-N 3.29Å; T439-C441 PolarHBondContact O-N 2.97Å; C441-F475 HydrophobicContact CB-CB 4.38Å; C441-F475 HydrophobicContact CB-CD2 3.86Å; C441-F475 WeakPolarHBondContact O-CD2 3.3Å; C441-F475 PolarHBondContact O-N 2.95Å; C441-R476 PolarHBondContact O-NH1 2.71Å
442	A	98.8	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	164.3	170.2	0	0	0	0	0	112.4	D302 A434 R435 I473 R474	D302-A442 HydrophobicContact CB-CB 3.43Å; D302-A442 VanDerWaalsContact CB-CB 3.43Å; A434-A442 WeakPolarHBondContact CA-O 3.12Å; R435-A442 HydrophobicContact CG-CB 4.4Å; R435-A442 PolarHBondContact N-O 2.45Å; R435-A442 PolarHBondContact O-N 2.94Å; R435-A442 VanDerWaalsContact O-O 3.14Å; A442-I473 CarbonylContact C-O 3.5Å; A442-I473 WeakPolarHBondContact CA-O 3.37Å; A442-I473 WeakPolarHBondContact CB-O 3.34Å; A442-R474 HydrophobicContact CB-CB 4.34Å
443	I	98.8	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.4	173.5	-166	164.7	0	0	0	109.7	L420 Q424 L431 S432 A434 S472 I473 F475	L420-I443 HydrophobicContact CD2-CD1 4.48Å; L420-I443 HydrophobicContact CD2-CG2 4.45Å; Q424-I443 HydrophobicContact CB-CD1 4.27Å; L431-I443 HydrophobicContact CB-CD1 3.87Å; L431-I443 HydrophobicContact CB-CG1 4.36Å; L431-I443 HydrophobicContact CD1-CD1 3.94Å; L431-I443 HydrophobicContact CD2-CD1 4.15Å; L431-I443 HydrophobicContact CD2-CG1 4.4Å; L431-I443 HydrophobicContact CG-CD1 4.21Å; S432-I443 WeakPolarHBondContact O-CG1 3.49Å; A434-I443 HydrophobicContact CB-CD1 3.97Å; A434-I443 HydrophobicContact CB-CG1 4.09Å; I443-S472 WeakPolarHBondContact O-CA 3.41Å; I443-I473 HydrophobicContact CG2-CB 4.29Å; I443-I473 PolarHBondContact N-O 3.38Å; I443-I473 PolarHBondContact O-N 2.94Å; I443-F475 HydrophobicContact CG2-CE2 4.26Å; I443-F475 HydrophobicContact CG2-CZ 4.41Å
444	D	98.8	Very high	98.3	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	137	175.4	-70.2	1.8	0	0	0	109.4	L431 S432 R433 R435 S472	L431-D444 WeakPolarHBondContact CA-O 3.38Å; S432-D444 PolarHBondContact N-O 3.4Å; S432-D444 WeakPolarHBondContact O-CA 3.1Å; S432-D444 WeakPolarHBondContact O-CB 3.34Å; S432-D444 PolarHBondContact O-N 3.15Å; R433-D444 HydrophobicContact CB-CB 4.34Å; R433-D444 WeakPolarHBondContact CD-OD2 3.37Å; R433-D444 IonicContact CZ-OD2 3.58Å; R433-D444 IonicContact NE-OD2 2.69Å; R433-D444 IonicContact NH1-OD2 3.42Å; R433-D444 PolarHBondContact NH1-OD2 3.37Å; R435-D444 IonicContact CZ-OD1 3.25Å; R435-D444 VanDerWaalsContact CZ-OD1 3.31Å; R435-D444 IonicContact NH1-OD1 3.43Å; R435-D444 PolarHBondContact NH1-OD1 3.46Å; R435-D444 IonicContact NH1-OD2 3.93Å; R435-D444 IonicContact NH2-OD1 2.72Å; R435-D444 PolarHBondContact NH2-OD1 3.4Å; D444-S472 PolarHBondContact OD1-OG 3.15Å
445	V	98.6	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	152.3	169.6	-174.7	0	0	0	0	108.1	L430 L431 D447 T450 R451 L454 Q471 I473	L430-V445 HydrophobicContact CD1-CG1 3.92Å; L430-V445 CarbonylContact O-C 3.36Å; L430-V445 WeakPolarHBondContact O-CA 3.22Å; L431-V445 HydrophobicContact CD2-CG2 4.3Å; V445-D447 PolarHBondContact O-N 2.88Å; V445-T450 HydrophobicContact CG1-CG2 3.81Å; V445-R451 HydrophobicContact CB-CB 4.05Å; V445-R451 HydrophobicContact CB-CG 4.41Å; V445-R451 HydrophobicContact CG1-CB 4.39Å; V445-R451 HydrophobicContact CG2-CB 4.21Å; V445-R451 HydrophobicContact CG2-CG 4.11Å; V445-L454 HydrophobicContact CG1-CD1 3.82Å; V445-L454 HydrophobicContact CG2-CD1 4.09Å; V445-Q471 WeakPolarHBondContact CB-O 3.19Å; V445-Q471 PolarHBondContact N-O 3.4Å; V445-Q471 WeakPolarHBondContact O-CB 3.48Å; V445-Q471 VanDerWaalsContact O-CG 3.29Å; V445-Q471 WeakPolarHBondContact O-CG 3.38Å; V445-Q471 PolarHBondContact O-OE1 3.34Å; V445-I473 HydrophobicContact CG2-CD1 3.81Å; V445-I473 HydrophobicContact CG2-CG1 3.88Å
446	R	96.8	Very high	98.2	Very high	131 Å²	131	33.5 Å²	33.5	49%	0.494	18%	0.179	S	C	.	.	S	Bend	trans	-44.2	-39.9	-178.8	-177.6	-178.7	66	-154.8	-5	114.8	L430 T450 Q471	L430-R446 PolarHBondContact O-N 3.15Å; R446-T450 PolarHBondContact NH2-OG1 2.9Å; R446-Q471 PolarHBondContact O-OE1 3.41Å
447	D	97.5	Very high	98.2	Very high	49 Å²	49	35.1 Å²	35.1	26%	0.262	18%	0.181	S	C	.	.			trans	-159.3	161.7	-178.1	58.2	75.3	0	0	0	111.8	V445 A449 T450 R451	V445-D447 PolarHBondContact O-N 2.88Å; D447-A449 PolarHBondContact O-N 3.37Å; D447-A449 PolarHBondContact OD1-N 3.04Å; D447-T450 PolarHBondContact O-N 3.5Å; D447-T450 WeakPolarHBondContact OD1-CB 3.32Å; D447-T450 PolarHBondContact OD1-N 3.04Å; D447-T450 PolarHBondContact OD1-OG1 3.25Å; D447-T450 PolarHBondContact OD2-OG1 3.23Å; D447-R451 PolarHBondContact O-N 3.25Å
448	A	97.1	Very high	98.2	Very high	41 Å²	41	32.2 Å²	32.2	34%	0.339	17%	0.168	S	C	.	.	H	α-helix	trans	-60.4	-42.4	-177.4	0	0	0	0	0	113.3	T450 R451 D452 D470	A448-T450 VanDerWaalsContact C-N 3.31Å; A448-T450 PolarHBondContact O-N 2.96Å; A448-R451 WeakPolarHBondContact O-CB 3.22Å; A448-R451 PolarHBondContact O-N 3.01Å; A448-D452 VanDerWaalsContact O-CG 3.25Å; A448-D452 PolarHBondContact O-N 3.29Å; A448-D470 VanDerWaalsContact CB-O 3.28Å; A448-D470 WeakPolarHBondContact CB-O 3.4Å
449	A	97.6	Very high	98.1	Very high	56 Å²	56	32.7 Å²	32.7	46%	0.463	16%	0.164	S	C	.	.	H	α-helix	trans	-64.3	-39.2	-179.5	0	0	0	0	0	111.5	D447 R453	D447-A449 PolarHBondContact O-N 3.37Å; D447-A449 PolarHBondContact OD1-N 3.04Å; A449-R453 WeakPolarHBondContact O-CG 3.46Å; A449-R453 PolarHBondContact O-N 2.94Å; A449-R453 VanDerWaalsContact O-N 3.11Å; A449-R453 PolarHBondContact O-NH1 2.99Å
450	T	97.8	Very high	98	Very high	1 Å²	1	36 Å²	36	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-69.4	-41	175.1	-55.6	0	0	0	0	111	L430 V445 R446 D447 A448 D452 R453 L454	L430-T450 HydrophobicContact CD1-CG2 3.46Å; L430-T450 VanDerWaalsContact CD1-CG2 3.46Å; V445-T450 HydrophobicContact CG1-CG2 3.81Å; R446-T450 PolarHBondContact NH2-OG1 2.9Å; D447-T450 PolarHBondContact O-N 3.5Å; D447-T450 WeakPolarHBondContact OD1-CB 3.32Å; D447-T450 PolarHBondContact OD1-N 3.04Å; D447-T450 PolarHBondContact OD1-OG1 3.25Å; D447-T450 PolarHBondContact OD2-OG1 3.23Å; A448-T450 VanDerWaalsContact C-N 3.31Å; A448-T450 PolarHBondContact O-N 2.96Å; T450-D452 VanDerWaalsContact C-N 3.35Å; T450-D452 PolarHBondContact O-N 3.35Å; T450-R453 PolarHBondContact O-N 3.18Å; T450-R453 PolarHBondContact OG1-NH2 2.94Å; T450-L454 HydrophobicContact CG2-CD1 4.36Å; T450-L454 HydrophobicContact CG2-CG 4.43Å; T450-L454 VanDerWaalsContact O-CG 3.32Å; T450-L454 WeakPolarHBondContact O-CG 3.31Å; T450-L454 PolarHBondContact O-N 2.9Å
451	R	98.4	Very high	97.9	Very high	22 Å²	22	39 Å²	39	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-54.4	-51.4	172.7	-168.3	-77.2	-57.7	-74.6	-9.1	111	V445 D447 A448 R453 L454 L455 C468 D470 S472 I473	V445-R451 HydrophobicContact CB-CB 4.05Å; V445-R451 HydrophobicContact CB-CG 4.41Å; V445-R451 HydrophobicContact CG1-CB 4.39Å; V445-R451 HydrophobicContact CG2-CB 4.21Å; V445-R451 HydrophobicContact CG2-CG 4.11Å; D447-R451 PolarHBondContact O-N 3.25Å; A448-R451 WeakPolarHBondContact O-CB 3.22Å; A448-R451 PolarHBondContact O-N 3.01Å; R451-R453 PolarHBondContact O-N 3.15Å; R451-L454 PolarHBondContact O-N 3.21Å; R451-L455 WeakPolarHBondContact O-CG 3.4Å; R451-L455 PolarHBondContact O-N 3.45Å; R451-C468 PolarHBondContact NH1-O 3.46Å; R451-D470 PolarHBondContact NH2-O 3.09Å; R451-S472 PolarHBondContact NH1-O 3.15Å; R451-I473 HydrophobicContact CG-CD1 4.49Å; R451-I473 HydrophobicContact CG-CG1 3.74Å
452	D	97.8	Very high	97.9	Very high	77 Å²	77	39 Å²	39	41%	0.412	20%	0.195	S	C	.	.	H	α-helix	trans	-63.1	-41.7	-177.8	-65	-12.6	0	0	0	111.5	A448 T450 L455 L456	A448-D452 VanDerWaalsContact O-CG 3.25Å; A448-D452 PolarHBondContact O-N 3.29Å; T450-D452 VanDerWaalsContact C-N 3.35Å; T450-D452 PolarHBondContact O-N 3.35Å; D452-L455 PolarHBondContact O-N 3.44Å; D452-L456 WeakPolarHBondContact O-CG 3.28Å; D452-L456 PolarHBondContact O-N 2.96Å; D452-L456 VanDerWaalsContact O-N 3.15Å
453	R	97.9	Very high	97.8	Very high	110 Å²	110	39 Å²	39	42%	0.415	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-45.1	173.4	-73.8	-166.2	-50.4	-83.1	-2.3	112.7	A449 T450 R451 L455 L456 Q457	A449-R453 WeakPolarHBondContact O-CG 3.46Å; A449-R453 PolarHBondContact O-N 2.94Å; A449-R453 VanDerWaalsContact O-N 3.11Å; A449-R453 PolarHBondContact O-NH1 2.99Å; T450-R453 PolarHBondContact O-N 3.18Å; T450-R453 PolarHBondContact OG1-NH2 2.94Å; R451-R453 PolarHBondContact O-N 3.15Å; R453-L455 VanDerWaalsContact C-N 3.32Å; R453-L455 PolarHBondContact O-N 3.02Å; R453-L456 PolarHBondContact O-N 3.48Å; R453-Q457 WeakPolarHBondContact O-CG 3.18Å; R453-Q457 PolarHBondContact O-N 3.09Å
454	L	98.4	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-38.9	179.1	-69.8	176.4	0	0	0	111.7	L430 V445 T450 R451 Q457 A458 I473 V496 L497 N500	L430-L454 HydrophobicContact CD1-CD1 4.36Å; L430-L454 HydrophobicContact CD2-CD1 4.49Å; V445-L454 HydrophobicContact CG1-CD1 3.82Å; V445-L454 HydrophobicContact CG2-CD1 4.09Å; T450-L454 HydrophobicContact CG2-CD1 4.36Å; T450-L454 HydrophobicContact CG2-CG 4.43Å; T450-L454 VanDerWaalsContact O-CG 3.32Å; T450-L454 WeakPolarHBondContact O-CG 3.31Å; T450-L454 PolarHBondContact O-N 2.9Å; R451-L454 PolarHBondContact O-N 3.21Å; L454-Q457 PolarHBondContact O-N 3.26Å; L454-A458 WeakPolarHBondContact O-CB 3.06Å; L454-A458 PolarHBondContact O-N 3.13Å; L454-I473 HydrophobicContact CB-CD1 4.2Å; L454-I473 HydrophobicContact CD1-CD1 4.4Å; L454-V496 HydrophobicContact CD2-CG1 3.74Å; L454-L497 HydrophobicContact CD1-CD2 4.07Å; L454-L497 HydrophobicContact CD2-CD2 4.24Å; L454-N500 HydrophobicContact CD2-CB 4.14Å
455	L	98.3	Very high	97.8	Very high	30 Å²	30	40.2 Å²	40.2	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-43.2	175.3	-69.2	178.8	0	0	0	111.9	R451 D452 R453 R459 L465 I473	R451-L455 WeakPolarHBondContact O-CG 3.4Å; R451-L455 PolarHBondContact O-N 3.45Å; D452-L455 PolarHBondContact O-N 3.44Å; R453-L455 VanDerWaalsContact C-N 3.32Å; R453-L455 PolarHBondContact O-N 3.02Å; L455-R459 WeakPolarHBondContact O-CB 3.35Å; L455-R459 PolarHBondContact O-N 2.97Å; L455-L465 HydrophobicContact CD2-CB 3.47Å; L455-L465 VanDerWaalsContact CD2-CB 3.47Å; L455-L465 HydrophobicContact CD2-CD1 4.48Å; L455-I473 HydrophobicContact CD2-CD1 4.26Å; L455-I473 HydrophobicContact CD2-CG1 4.12Å; L455-I473 HydrophobicContact CD2-CG2 4.21Å
456	L	97.9	Very high	97.8	Very high	82 Å²	82	40.3 Å²	40.3	43%	0.429	20%	0.202	S	C	.	.	H	α-helix	trans	-65.9	-45.9	177.8	-64.7	174.4	0	0	0	111.7	D452 R453 A458 R459 D460	D452-L456 WeakPolarHBondContact O-CG 3.28Å; D452-L456 PolarHBondContact O-N 2.96Å; D452-L456 VanDerWaalsContact O-N 3.15Å; R453-L456 PolarHBondContact O-N 3.48Å; L456-A458 PolarHBondContact O-N 2.82Å; L456-R459 WeakPolarHBondContact O-CB 3.2Å; L456-R459 PolarHBondContact O-N 2.92Å; L456-D460 PolarHBondContact O-N 3.07Å
457	Q	97.9	Very high	97.8	Very high	54 Å²	54	34.9 Å²	34.9	25%	0.252	19%	0.187	S	C	.	.	H	α-helix	trans	-65.4	-38.7	178.3	-71.3	171.7	-25.5	0	0	112.5	R453 L454 R459 D460 K461 V496 N500	R453-Q457 WeakPolarHBondContact O-CG 3.18Å; R453-Q457 PolarHBondContact O-N 3.09Å; L454-Q457 PolarHBondContact O-N 3.26Å; Q457-R459 VanDerWaalsContact C-N 3.32Å; Q457-D460 PolarHBondContact O-N 2.92Å; Q457-K461 WeakPolarHBondContact O-CG 3.4Å; Q457-K461 PolarHBondContact O-N 3.4Å; Q457-K461 VanDerWaalsContact O-N 3.09Å; Q457-V496 HydrophobicContact CB-CG1 3.69Å; Q457-V496 HydrophobicContact CB-CG2 4.45Å; Q457-N500 PolarHBondContact OE1-ND2 3.46Å; Q457-N500 PolarHBondContact OE1-OD1 2.8Å
458	A	98.1	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.4	-44.9	171.8	0	0	0	0	0	111.4	L454 L456 K461 G462 M463 L465	L454-A458 WeakPolarHBondContact O-CB 3.06Å; L454-A458 PolarHBondContact O-N 3.13Å; L456-A458 PolarHBondContact O-N 2.82Å; A458-K461 CarbonylContact O-C 3.52Å; A458-K461 PolarHBondContact O-N 2.77Å; A458-K461 VanDerWaalsContact O-N 3.13Å; A458-G462 PolarHBondContact O-N 2.68Å; A458-M463 CarbonylContact C-O 3.57Å; A458-M463 HydrophobicContact CB-CB 4.45Å; A458-M463 HydrophobicContact CB-CE 3.42Å; A458-M463 VanDerWaalsContact CB-CE 3.42Å; A458-M463 WeakPolarHBondContact O-CB 3.44Å; A458-M463 PolarHBondContact O-N 3.34Å; A458-L465 HydrophobicContact CB-CD1 4.15Å
459	R	98.1	Very high	97.8	Very high	29 Å²	29	31 Å²	31	11%	0.109	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-46.7	177.8	-173.7	179.1	68.3	-166.9	4	111.8	M46 V50 M93 L455 L456 Q457 K461 G462 M463	M46-R459 WeakPolarHBondContact CE-O 3.49Å; V50-R459 HydrophobicContact CB-CG 3.91Å; V50-R459 HydrophobicContact CG1-CG 3.95Å; V50-R459 HydrophobicContact CG2-CG 4.3Å; V50-R459 VanDerWaalsContact O-CZ 3.32Å; V50-R459 PolarHBondContact O-NE 2.84Å; V50-R459 PolarHBondContact O-NH2 3.38Å; M93-R459 HydrophobicContact SD-CG 3.87Å; L455-R459 WeakPolarHBondContact O-CB 3.35Å; L455-R459 PolarHBondContact O-N 2.97Å; L456-R459 WeakPolarHBondContact O-CB 3.2Å; L456-R459 PolarHBondContact O-N 2.92Å; Q457-R459 VanDerWaalsContact C-N 3.32Å; R459-K461 PolarHBondContact O-N 3.13Å; R459-G462 PolarHBondContact O-N 2.9Å; R459-M463 VanDerWaalsContact CA-O 3.22Å; R459-M463 WeakPolarHBondContact CA-O 3.36Å; R459-M463 PolarHBondContact N-O 2.93Å; R459-M463 VanDerWaalsContact N-O 3.15Å
460	D	96	Very high	97.6	Very high	69 Å²	69	34.6 Å²	34.6	37%	0.369	17%	0.174	S	C	.	.	H	α-helix	trans	-66.4	-21.2	177.9	-69.8	-25.6	0	0	0	112.9	V50 L456 Q457 G462	V50-D460 PolarHBondContact N-OD1 2.8Å; V50-D460 VanDerWaalsContact N-OD1 3.12Å; L456-D460 PolarHBondContact O-N 3.07Å; Q457-D460 PolarHBondContact O-N 2.92Å; D460-G462 VanDerWaalsContact C-N 3.35Å
461	K	97.5	Very high	97.5	Very high	65 Å²	65	37.2 Å²	37.2	28%	0.283	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	8.6	169.4	-66.7	-157.6	-173.6	177.9	0	114.3	Q457 A458 R459 I492 D495 V496 Q499	Q457-K461 WeakPolarHBondContact O-CG 3.4Å; Q457-K461 PolarHBondContact O-N 3.4Å; Q457-K461 VanDerWaalsContact O-N 3.09Å; A458-K461 CarbonylContact O-C 3.52Å; A458-K461 PolarHBondContact O-N 2.77Å; A458-K461 VanDerWaalsContact O-N 3.13Å; R459-K461 PolarHBondContact O-N 3.13Å; K461-I492 HydrophobicContact CB-CG2 3.7Å; K461-I492 HydrophobicContact CD-CG2 4.43Å; K461-D495 PolarHBondContact NZ-O 2.84Å; K461-D495 VanDerWaalsContact NZ-O 3.16Å; K461-V496 HydrophobicContact CD-CG2 3.77Å; K461-V496 HydrophobicContact CG-CG2 4.3Å; K461-Q499 VanDerWaalsContact NZ-NE2 3.1Å
462	G	97.9	Very high	97.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	30.1	173.9	0	0	0	0	0	115.2	P44 M46 M93 L94 A458 R459 D460	P44-G462 WeakPolarHBondContact CB-O 3.44Å; M46-G462 WeakPolarHBondContact SD-CA 3.45Å; M93-G462 CarbonylContact C-O 3.5Å; M93-G462 VanDerWaalsContact CA-O 3.28Å; M93-G462 WeakPolarHBondContact CA-O 3.26Å; L94-G462 PolarHBondContact N-O 3.22Å; A458-G462 PolarHBondContact O-N 2.68Å; R459-G462 PolarHBondContact O-N 2.9Å; D460-G462 VanDerWaalsContact C-N 3.35Å
463	M	97.5	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	118.7	-178	-175	174.6	66.8	0	0	112	L94 I96 A458 R459 L465 F489 I492 F493	L94-M463 WeakPolarHBondContact O-CA 3.47Å; I96-M463 HydrophobicContact CD1-CG 4.29Å; I96-M463 HydrophobicContact CD1-SD 4.41Å; A458-M463 CarbonylContact C-O 3.57Å; A458-M463 HydrophobicContact CB-CB 4.45Å; A458-M463 HydrophobicContact CB-CE 3.42Å; A458-M463 VanDerWaalsContact CB-CE 3.42Å; A458-M463 WeakPolarHBondContact O-CB 3.44Å; A458-M463 PolarHBondContact O-N 3.34Å; R459-M463 VanDerWaalsContact CA-O 3.22Å; R459-M463 WeakPolarHBondContact CA-O 3.36Å; R459-M463 PolarHBondContact N-O 2.93Å; R459-M463 VanDerWaalsContact N-O 3.15Å; M463-L465 HydrophobicContact CE-CD1 3.68Å; M463-L465 HydrophobicContact CE-CG 4.11Å; M463-L465 HydrophobicContact CG-CD2 4.04Å; M463-L465 HydrophobicContact CG-CG 4.08Å; M463-L465 HydrophobicContact SD-CD1 4.49Å; M463-L465 HydrophobicContact SD-CD2 4.32Å; M463-L465 HydrophobicContact SD-CG 4.46Å; M463-F489 HydrophobicContact CE-CD2 4.25Å; M463-F489 HydrophobicContact CE-CE2 4.34Å; M463-F489 HydrophobicContact SD-CB 4.37Å; M463-F489 HydrophobicContact SD-CD2 3.36Å; M463-F489 WeakPolarHBondContact SD-CD2 3.4Å; M463-F489 HydrophobicContact SD-CE2 4.01Å; M463-F489 HydrophobicContact SD-CG 4.31Å; M463-I492 HydrophobicContact CB-CG2 4.37Å; M463-I492 HydrophobicContact CE-CG2 4.12Å; M463-I492 HydrophobicContact SD-CB 4.48Å; M463-I492 HydrophobicContact SD-CG2 4.31Å; M463-F493 HydrophobicContact CE-CB 3.95Å; M463-F493 HydrophobicContact CE-CD2 3.8Å; M463-F493 HydrophobicContact CE-CG 4.23Å
464	L	98.3	Very high	97.6	Very high	16 Å²	16	27.8 Å²	27.8	8%	0.084	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.2	177.9	-170.9	66	0	0	0	110.4	F73 L85 L94 I96	F73-L464 HydrophobicContact CE1-CD1 3.96Å; F73-L464 HydrophobicContact CZ-CD1 4.15Å; F73-L464 HydrophobicContact CZ-CD2 4.14Å; L85-L464 HydrophobicContact CD2-CD2 3.9Å; L94-L464 PolarHBondContact O-N 3.08Å; I96-L464 PolarHBondContact N-O 3.46Å
465	L	98.4	Very high	97.7	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.063	15%	0.145	C	C	.	.			trans	-119.2	157.8	178.6	-62.4	-176.5	0	0	0	110.6	I96 L455 A458 M463 I473 F475 F489 F493	I96-L465 HydrophobicContact CB-CD2 3.99Å; I96-L465 HydrophobicContact CD1-CD2 4.07Å; I96-L465 HydrophobicContact CG1-CD2 4.32Å; L455-L465 HydrophobicContact CD2-CB 3.47Å; L455-L465 VanDerWaalsContact CD2-CB 3.47Å; L455-L465 HydrophobicContact CD2-CD1 4.48Å; A458-L465 HydrophobicContact CB-CD1 4.15Å; M463-L465 HydrophobicContact CE-CD1 3.68Å; M463-L465 HydrophobicContact CE-CG 4.11Å; M463-L465 HydrophobicContact CG-CD2 4.04Å; M463-L465 HydrophobicContact CG-CG 4.08Å; M463-L465 HydrophobicContact SD-CD1 4.49Å; M463-L465 HydrophobicContact SD-CD2 4.32Å; M463-L465 HydrophobicContact SD-CG 4.46Å; L465-I473 HydrophobicContact CB-CG2 4.2Å; L465-I473 HydrophobicContact CD1-CG2 3.89Å; L465-F475 HydrophobicContact CD1-CE1 4.29Å; L465-F475 HydrophobicContact CD2-CD1 3.86Å; L465-F475 HydrophobicContact CD2-CE1 3.73Å; L465-F489 HydrophobicContact CD1-CE2 4.46Å; L465-F489 HydrophobicContact CD2-CD2 4.45Å; L465-F489 HydrophobicContact CD2-CE2 4.33Å; L465-F493 HydrophobicContact CD1-CD2 4.29Å; L465-F493 HydrophobicContact CD1-CE2 4.2Å
466	G	97.8	Very high	97.7	Very high	3 Å²	3	26.5 Å²	26.5	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	146.4	175.9	0	0	0	0	0	112.7	I473 R474	G466-I473 WeakPolarHBondContact O-CA 3.17Å; G466-R474 VanDerWaalsContact O-CG 3.28Å; G466-R474 WeakPolarHBondContact O-CG 3.26Å; G466-R474 PolarHBondContact O-N 2.87Å
467	G	98.3	Very high	97.7	Very high	16 Å²	16	22.6 Å²	22.6	17%	0.165	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.9	165.6	0	0	0	0	0	112.1	S472 R474	G467-S472 WeakPolarHBondContact CA-O 3.47Å; G467-R474 PolarHBondContact O-NE 2.92Å; G467-R474 PolarHBondContact O-NH2 3.32Å
468	C	98.3	Very high	97.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	167.1	169	55.5	0	0	0	0	110.9	A298 D302 R451 S472 R474	A298-C468 WeakPolarHBondContact O-CB 3.03Å; D302-C468 PolarHBondContact OD2-SG 3.22Å; R451-C468 PolarHBondContact NH1-O 3.46Å; C468-S472 PolarHBondContact N-O 3.12Å; C468-S472 VanDerWaalsContact N-O 3.11Å; C468-S472 PolarHBondContact O-N 3.32Å; C468-R474 HydrophobicContact CB-CG 4.17Å
469	G	95.9	Very high	97.7	Very high	8 Å²	8	20.1 Å²	20.1	8%	0.082	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	-147.2	-173.9	0	0	0	0	0	111.5	E299	E299-G469 PolarHBondContact O-N 3.14Å
470	D	92.3	Very high	97.7	Very high	133 Å²	133	19.6 Å²	19.6	71%	0.711	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-45.3	177.8	-59.1	-31.3	0	0	0	111.7	A448 R451	A448-D470 VanDerWaalsContact CB-O 3.28Å; A448-D470 WeakPolarHBondContact CB-O 3.4Å; R451-D470 PolarHBondContact NH2-O 3.09Å
471	Q	97.2	Very high	97.8	Very high	56 Å²	56	16.3 Å²	16.3	26%	0.262	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.1	13.6	-164.6	68.6	-173.8	9.2	0	0	115.1	V445 R446	V445-Q471 WeakPolarHBondContact CB-O 3.19Å; V445-Q471 PolarHBondContact N-O 3.4Å; V445-Q471 WeakPolarHBondContact O-CB 3.48Å; V445-Q471 VanDerWaalsContact O-CG 3.29Å; V445-Q471 WeakPolarHBondContact O-CG 3.38Å; V445-Q471 PolarHBondContact O-OE1 3.34Å; R446-Q471 PolarHBondContact O-OE1 3.41Å
472	S	98.8	Very high	97.8	Very high	6 Å²	6	16.5 Å²	16.5	4%	0.042	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	148.2	-175.7	-48.5	0	0	0	0	112	R435 I443 D444 R451 G467 C468	R435-S472 PolarHBondContact NH2-OG 2.67Å; I443-S472 WeakPolarHBondContact O-CA 3.41Å; D444-S472 PolarHBondContact OD1-OG 3.15Å; R451-S472 PolarHBondContact NH1-O 3.15Å; G467-S472 WeakPolarHBondContact CA-O 3.47Å; C468-S472 PolarHBondContact N-O 3.12Å; C468-S472 VanDerWaalsContact N-O 3.11Å; C468-S472 PolarHBondContact O-N 3.32Å
473	I	98.8	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.4	164.5	-62.4	179.8	0	0	0	107.3	A442 I443 V445 R451 L454 L455 L465 G466 F475 F493	A442-I473 CarbonylContact C-O 3.5Å; A442-I473 WeakPolarHBondContact CA-O 3.37Å; A442-I473 WeakPolarHBondContact CB-O 3.34Å; I443-I473 HydrophobicContact CG2-CB 4.29Å; I443-I473 PolarHBondContact N-O 3.38Å; I443-I473 PolarHBondContact O-N 2.94Å; V445-I473 HydrophobicContact CG2-CD1 3.81Å; V445-I473 HydrophobicContact CG2-CG1 3.88Å; R451-I473 HydrophobicContact CG-CD1 4.49Å; R451-I473 HydrophobicContact CG-CG1 3.74Å; L454-I473 HydrophobicContact CB-CD1 4.2Å; L454-I473 HydrophobicContact CD1-CD1 4.4Å; L455-I473 HydrophobicContact CD2-CD1 4.26Å; L455-I473 HydrophobicContact CD2-CG1 4.12Å; L455-I473 HydrophobicContact CD2-CG2 4.21Å; L465-I473 HydrophobicContact CB-CG2 4.2Å; L465-I473 HydrophobicContact CD1-CG2 3.89Å; G466-I473 WeakPolarHBondContact O-CA 3.17Å; I473-F475 HydrophobicContact CG2-CE1 4.12Å; I473-F475 HydrophobicContact CG2-CE2 4.48Å; I473-F475 HydrophobicContact CG2-CZ 3.87Å; I473-F493 HydrophobicContact CD1-CE2 4.18Å; I473-F493 HydrophobicContact CD1-CZ 3.94Å
474	R	98.8	Very high	97.6	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	152.5	-178.1	54	170.5	164.5	-172.9	-3.7	112.2	E299 A442 G466 G467 C468	E299-R474 VanDerWaalsContact CD-NH1 3.26Å; E299-R474 IonicContact OE1-CZ 3.99Å; E299-R474 IonicContact OE1-NH1 3.47Å; E299-R474 PolarHBondContact OE1-NH1 2.89Å; E299-R474 IonicContact OE1-NH2 3.51Å; E299-R474 PolarHBondContact OE1-NH2 2.89Å; E299-R474 IonicContact OE2-CZ 2.74Å; E299-R474 IonicContact OE2-NH1 3.27Å; E299-R474 PolarHBondContact OE2-NH1 3.26Å; E299-R474 IonicContact OE2-NH2 3.02Å; E299-R474 PolarHBondContact OE2-NH2 2.82Å; A442-R474 HydrophobicContact CB-CB 4.34Å; G466-R474 VanDerWaalsContact O-CG 3.28Å; G466-R474 WeakPolarHBondContact O-CG 3.26Å; G466-R474 PolarHBondContact O-N 2.87Å; G467-R474 PolarHBondContact O-NE 2.92Å; G467-R474 PolarHBondContact O-NH2 3.32Å; C468-R474 HydrophobicContact CB-CG 4.17Å
475	F	98.8	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	121.5	-177.3	-51.4	-78.3	0	0	0	108.8	I96 L416 L420 C441 I443 L465 I473 F489	I96-F475 HydrophobicContact CG2-CB 3.99Å; I96-F475 HydrophobicContact CG2-CD1 4.06Å; L416-F475 HydrophobicContact CD2-CB 3.92Å; L416-F475 HydrophobicContact CD2-CG 4.22Å; L420-F475 HydrophobicContact CD1-CD2 3.89Å; L420-F475 HydrophobicContact CD1-CE2 3.56Å; L420-F475 HydrophobicContact CD1-CZ 4.4Å; L420-F475 HydrophobicContact CD2-CE2 3.72Å; L420-F475 HydrophobicContact CD2-CZ 3.75Å; L420-F475 HydrophobicContact CG-CE2 4.29Å; C441-F475 HydrophobicContact CB-CB 4.38Å; C441-F475 HydrophobicContact CB-CD2 3.86Å; C441-F475 WeakPolarHBondContact O-CD2 3.3Å; C441-F475 PolarHBondContact O-N 2.95Å; I443-F475 HydrophobicContact CG2-CE2 4.26Å; I443-F475 HydrophobicContact CG2-CZ 4.41Å; L465-F475 HydrophobicContact CD1-CE1 4.29Å; L465-F475 HydrophobicContact CD2-CD1 3.86Å; L465-F475 HydrophobicContact CD2-CE1 3.73Å; I473-F475 HydrophobicContact CG2-CE1 4.12Å; I473-F475 HydrophobicContact CG2-CE2 4.48Å; I473-F475 HydrophobicContact CG2-CZ 3.87Å; F475-F489 HydrophobicContact CD1-CE2 4.17Å; F475-F489 HydrophobicContact CD1-CZ 4.27Å; F475-F489 HydrophobicContact CE1-CD2 4.23Å; F475-F489 HydrophobicContact CE1-CE1 4.32Å; F475-F489 AromaticContact CE1-CE2 3.35Å; F475-F489 HydrophobicContact CE1-CE2 3.35Å; F475-F489 AromaticContact CE1-CZ 3.41Å; F475-F489 HydrophobicContact CE1-CZ 3.41Å; F475-F489 VanDerWaalsContact CE1-CZ 3.41Å; F475-F489 HydrophobicContact CZ-CE2 4.03Å; F475-F489 AromaticContact CZ-CZ 3.67Å; F475-F489 HydrophobicContact CZ-CZ 3.67Å
476	R	98.8	Very high	97.6	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.011	11%	0.108	C	C	.	.			trans	-135.1	64.1	179.7	-59.9	-63.4	-176.7	-88.1	-6.3	109.4	I96 Y97 T98 D302 F440 C441	I96-R476 CarbonylContact C-O 3.54Å; I96-R476 CarbonylContact O-C 3.44Å; I96-R476 PolarHBondContact O-N 2.95Å; Y97-R476 CarbonylContact C-O 3.6Å; T98-R476 WeakPolarHBondContact CB-O 3.37Å; T98-R476 WeakPolarHBondContact CG2-O 3.25Å; T98-R476 PolarHBondContact OG1-O 3.32Å; D302-R476 IonicContact OD1-CZ 2.8Å; D302-R476 IonicContact OD1-NH1 2.63Å; D302-R476 PolarHBondContact OD1-NH1 2.81Å; D302-R476 IonicContact OD1-NH2 3.6Å; D302-R476 PolarHBondContact OD1-NH2 3.35Å; D302-R476 IonicContact OD2-CZ 3.11Å; D302-R476 IonicContact OD2-NH1 3.23Å; D302-R476 IonicContact OD2-NH2 3.36Å; D302-R476 PolarHBondContact OD2-NH2 2.65Å; F440-R476 VanDerWaalsContact CZ-NE 3.32Å; C441-R476 PolarHBondContact O-NH1 2.71Å
477	P	98.5	Very high	97.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.114	C	C	.	.			trans	-69.8	168.3	176.4	29.2	-32.4	0	0	0	112.2	I96 T439 F481	I96-P477 HydrophobicContact CG2-CB 3.97Å; I96-P477 HydrophobicContact CG2-CG 4.2Å; T439-P477 VanDerWaalsContact CB-CG 3.49Å; T439-P477 HydrophobicContact CG2-CG 3.99Å; P477-F481 HydrophobicContact CB-CB 3.46Å; P477-F481 VanDerWaalsContact CB-CB 3.46Å; P477-F481 HydrophobicContact CB-CD1 3.84Å; P477-F481 HydrophobicContact CB-CD2 3.69Å; P477-F481 HydrophobicContact CB-CE1 4.44Å; P477-F481 HydrophobicContact CB-CE2 4.32Å; P477-F481 HydrophobicContact CB-CG 3.41Å; P477-F481 VanDerWaalsContact CB-CG 3.41Å; P477-F481 HydrophobicContact CG-CB 4.12Å; P477-F481 HydrophobicContact CG-CD1 3.87Å; P477-F481 HydrophobicContact CG-CE1 4.38Å; P477-F481 HydrophobicContact CG-CG 3.98Å
478	A	98.3	Very high	97.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	12%	0.115	C	C	.	.			trans	-71.8	163.3	167.3	0	0	0	0	0	109.9	T98 V480 F481	T98-A478 HydrophobicContact CG2-CB 4.12Å; A478-V480 HydrophobicContact CB-CG2 3.94Å; A478-V480 PolarHBondContact O-N 3.17Å; A478-F481 WeakPolarHBondContact O-CB 3.36Å; A478-F481 PolarHBondContact O-N 3.39Å
479	L	98.7	Very high	97.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-17.2	179.5	-56.9	175.3	0	0	0	113	P104 G333 I400 L405 V409 F481	P104-L479 WeakPolarHBondContact O-CB 3.37Å; P104-L479 VanDerWaalsContact O-CG 3.28Å; P104-L479 WeakPolarHBondContact O-CG 3.46Å; P104-L479 PolarHBondContact O-N 3.08Å; G333-L479 WeakPolarHBondContact O-CD1 3.32Å; I400-L479 HydrophobicContact CD1-CD1 3.47Å; I400-L479 VanDerWaalsContact CD1-CD1 3.47Å; I400-L479 HydrophobicContact CG1-CD1 3.63Å; L405-L479 HydrophobicContact CB-CB 4.12Å; L405-L479 HydrophobicContact CD1-CB 3.91Å; V409-L479 HydrophobicContact CG2-CB 4.42Å; V409-L479 HydrophobicContact CG2-CD2 3.66Å; L479-F481 PolarHBondContact O-N 3.33Å
480	V	98	Very high	97.7	Very high	19 Å²	19	23 Å²	23	12%	0.115	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	7.7	173.8	-63.2	0	0	0	0	112.8	N83 I105 L405 A478 K482	N83-V480 PolarHBondContact ND2-O 3.4Å; N83-V480 VanDerWaalsContact ND2-O 3.17Å; I105-V480 HydrophobicContact CB-CG1 4.2Å; I105-V480 WeakPolarHBondContact O-CG2 3.33Å; L405-V480 HydrophobicContact CD1-CG1 4.1Å; L405-V480 HydrophobicContact CD2-CG1 4.45Å; A478-V480 HydrophobicContact CB-CG2 3.94Å; A478-V480 PolarHBondContact O-N 3.17Å; V480-K482 PolarHBondContact O-N 2.89Å
481	F	98.3	Very high	98	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.089	C	C	.	.			trans	-79	108.5	177.9	-176.8	-96	0	0	0	111.4	N83 L94 I96 S412 T439 P477 A478 L479 H485 V486	N83-F481 WeakPolarHBondContact OD1-CB 3.5Å; L94-F481 HydrophobicContact CD1-CE2 4.33Å; L94-F481 HydrophobicContact CD2-CE2 4.45Å; I96-F481 HydrophobicContact CD1-CE2 4.17Å; I96-F481 HydrophobicContact CD1-CZ 4.25Å; I96-F481 HydrophobicContact CG1-CE2 4.17Å; S412-F481 VanDerWaalsContact CB-O 3.28Å; S412-F481 WeakPolarHBondContact CB-O 3.32Å; S412-F481 PolarHBondContact OG-O 3.31Å; T439-F481 HydrophobicContact CG2-CD1 4.47Å; P477-F481 HydrophobicContact CB-CB 3.46Å; P477-F481 VanDerWaalsContact CB-CB 3.46Å; P477-F481 HydrophobicContact CB-CD1 3.84Å; P477-F481 HydrophobicContact CB-CD2 3.69Å; P477-F481 HydrophobicContact CB-CE1 4.44Å; P477-F481 HydrophobicContact CB-CE2 4.32Å; P477-F481 HydrophobicContact CB-CG 3.41Å; P477-F481 VanDerWaalsContact CB-CG 3.41Å; P477-F481 HydrophobicContact CG-CB 4.12Å; P477-F481 HydrophobicContact CG-CD1 3.87Å; P477-F481 HydrophobicContact CG-CE1 4.38Å; P477-F481 HydrophobicContact CG-CG 3.98Å; A478-F481 WeakPolarHBondContact O-CB 3.36Å; A478-F481 PolarHBondContact O-N 3.39Å; L479-F481 PolarHBondContact O-N 3.33Å; F481-H485 HydrophobicContact CD2-CB 3.5Å; F481-H485 AromaticContact CD2-CG 3.95Å; F481-H485 HydrophobicContact CE1-CB 4.34Å; F481-H485 HydrophobicContact CE2-CB 3.19Å; F481-H485 HydrophobicContact CG-CB 4.2Å; F481-H485 HydrophobicContact CZ-CB 3.66Å; F481-V486 HydrophobicContact CD1-CG2 4.32Å; F481-V486 HydrophobicContact CE1-CB 4.47Å; F481-V486 HydrophobicContact CE1-CG2 3.47Å; F481-V486 VanDerWaalsContact CE1-CG2 3.47Å; F481-V486 HydrophobicContact CZ-CG2 4.1Å
482	K	96.9	Very high	98	Very high	69 Å²	69	17.3 Å²	17.3	30%	0.3	8%	0.083	S	C	.	.			trans	-94.2	165.9	-177	-58.3	176.3	-176.8	176.2	0	114.6	E38 E408 V480 Y484 H485 V486	E38-K482 IonicContact OE1-NZ 3.39Å; E38-K482 PolarHBondContact OE1-NZ 2.8Å; E408-K482 HydrophobicContact CG-CG 4.2Å; E408-K482 WeakPolarHBondContact OE1-CA 3.19Å; E408-K482 WeakPolarHBondContact OE1-CB 3.19Å; V480-K482 PolarHBondContact O-N 2.89Å; K482-Y484 VanDerWaalsContact C-N 3.26Å; K482-Y484 HydrophobicContact CB-CD1 3.85Å; K482-Y484 HydrophobicContact CB-CE1 3.76Å; K482-Y484 HydrophobicContact CD-CD1 4.35Å; K482-Y484 HydrophobicContact CD-CE1 3.64Å; K482-Y484 HydrophobicContact CG-CE1 4.26Å; K482-Y484 PolarHBondContact O-N 2.88Å; K482-H485 PolarHBondContact N-ND1 2.78Å; K482-H485 WeakPolarHBondContact O-CB 3.35Å; K482-H485 PolarHBondContact O-N 2.89Å; K482-H485 PolarHBondContact O-ND1 3.02Å; K482-V486 PolarHBondContact O-N 3.45Å
483	E	95.2	Very high	98	Very high	66 Å²	66	17 Å²	17	31%	0.308	8%	0.081	S	C	.	.	H	α-helix	trans	-51.5	-36.1	177.1	-169.9	174.8	171.5	0	0	114.4	R411 A415 H485 V486 H487	R411-E483 IonicContact CZ-OE2 2.7Å; R411-E483 IonicContact NH1-OE2 3.66Å; R411-E483 PolarHBondContact NH1-OE2 3.36Å; A415-E483 HydrophobicContact CB-CG 4.04Å; E483-H485 VanDerWaalsContact C-N 3.3Å; E483-H485 PolarHBondContact O-N 3.38Å; E483-V486 VanDerWaalsContact O-CB 3.23Å; E483-V486 WeakPolarHBondContact O-CB 3.32Å; E483-V486 PolarHBondContact O-N 3.45Å; E483-V486 VanDerWaalsContact O-N 3.1Å; E483-H487 PolarHBondContact O-CD2 2.72Å; E483-H487 PolarHBondContact O-N 3.14Å; E483-H487 VanDerWaalsContact O-N 3.16Å; E483-H487 IonicContact OE1-NE2 2.99Å
484	Y	95.8	Very high	97.9	Very high	53 Å²	53	17.6 Å²	17.6	21%	0.208	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-31.4	176.6	70.3	-102.3	0	0	0	112.9	E38 K482 V486 H487 I488	E38-Y484 WeakPolarHBondContact OE1-CE1 3.43Å; E38-Y484 PolarHBondContact OE1-OH 3.29Å; E38-Y484 PolarHBondContact OE2-OH 3.28Å; K482-Y484 VanDerWaalsContact C-N 3.26Å; K482-Y484 HydrophobicContact CB-CD1 3.85Å; K482-Y484 HydrophobicContact CB-CE1 3.76Å; K482-Y484 HydrophobicContact CD-CD1 4.35Å; K482-Y484 HydrophobicContact CD-CE1 3.64Å; K482-Y484 HydrophobicContact CG-CE1 4.26Å; K482-Y484 PolarHBondContact O-N 2.88Å; Y484-V486 VanDerWaalsContact C-N 3.31Å; Y484-H487 PolarHBondContact O-N 3.01Å; Y484-I488 HydrophobicContact CD2-CD1 4.22Å; Y484-I488 WeakPolarHBondContact O-CG1 3.39Å; Y484-I488 PolarHBondContact O-N 2.91Å; Y484-I488 VanDerWaalsContact O-N 3.07Å
485	H	98.3	Very high	97.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.5	-34.1	172.9	-54.9	105.7	0	0	0	111.4	D40 N83 L94 F481 K482 E483 H487 I488 F489	D40-H485 IonicContact OD2-CE1 3.59Å; D40-H485 IonicContact OD2-NE2 2.88Å; D40-H485 PolarHBondContact OD2-NE2 2.93Å; N83-H485 PolarHBondContact ND2-CE1 3.46Å; N83-H485 PolarHBondContact ND2-NE2 3.49Å; L94-H485 HydrophobicContact CD1-CB 4.32Å; L94-H485 HydrophobicContact CD2-CB 4.5Å; F481-H485 HydrophobicContact CD2-CB 3.5Å; F481-H485 AromaticContact CD2-CG 3.95Å; F481-H485 HydrophobicContact CE1-CB 4.34Å; F481-H485 HydrophobicContact CE2-CB 3.19Å; F481-H485 HydrophobicContact CG-CB 4.2Å; F481-H485 HydrophobicContact CZ-CB 3.66Å; K482-H485 PolarHBondContact N-ND1 2.78Å; K482-H485 WeakPolarHBondContact O-CB 3.35Å; K482-H485 PolarHBondContact O-N 2.89Å; K482-H485 PolarHBondContact O-ND1 3.02Å; E483-H485 VanDerWaalsContact C-N 3.3Å; E483-H485 PolarHBondContact O-N 3.38Å; H485-H487 VanDerWaalsContact C-N 3.29Å; H485-H487 PolarHBondContact O-N 3.22Å; H485-I488 PolarHBondContact O-N 3.4Å; H485-F489 WeakPolarHBondContact O-CB 3.45Å; H485-F489 PolarHBondContact O-N 3.22Å
486	V	98.4	Very high	97.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.4	-45.5	171.8	-179.3	0	0	0	0	109.9	S412 A415 L416 F481 K482 E483 Y484 F489 L490	S412-V486 WeakPolarHBondContact O-CG2 3.48Å; A415-V486 HydrophobicContact CB-CG1 4.19Å; A415-V486 HydrophobicContact CB-CG2 4.35Å; L416-V486 HydrophobicContact CB-CG1 4.16Å; L416-V486 HydrophobicContact CB-CG2 4.25Å; L416-V486 HydrophobicContact CD1-CG1 4.46Å; F481-V486 HydrophobicContact CD1-CG2 4.32Å; F481-V486 HydrophobicContact CE1-CB 4.47Å; F481-V486 HydrophobicContact CE1-CG2 3.47Å; F481-V486 VanDerWaalsContact CE1-CG2 3.47Å; F481-V486 HydrophobicContact CZ-CG2 4.1Å; K482-V486 PolarHBondContact O-N 3.45Å; E483-V486 VanDerWaalsContact O-CB 3.23Å; E483-V486 WeakPolarHBondContact O-CB 3.32Å; E483-V486 PolarHBondContact O-N 3.45Å; E483-V486 VanDerWaalsContact O-N 3.1Å; Y484-V486 VanDerWaalsContact C-N 3.31Å; V486-F489 WeakPolarHBondContact O-CB 3.48Å; V486-F489 PolarHBondContact O-N 3.41Å; V486-L490 HydrophobicContact CG1-CD1 3.77Å; V486-L490 HydrophobicContact CG1-CG 4.13Å; V486-L490 VanDerWaalsContact O-CG 3.3Å; V486-L490 WeakPolarHBondContact O-CG 3.44Å; V486-L490 PolarHBondContact O-N 3.46Å
487	H	97.4	Very high	97.7	Very high	34 Å²	34	21.2 Å²	21.2	16%	0.157	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-38.1	178.5	-61.9	-47.4	0	0	0	113	E483 Y484 H485 F489 L490 N491	E483-H487 PolarHBondContact O-CD2 2.72Å; E483-H487 PolarHBondContact O-N 3.14Å; E483-H487 VanDerWaalsContact O-N 3.16Å; E483-H487 IonicContact OE1-NE2 2.99Å; Y484-H487 PolarHBondContact O-N 3.01Å; H485-H487 VanDerWaalsContact C-N 3.29Å; H485-H487 PolarHBondContact O-N 3.22Å; H487-F489 VanDerWaalsContact C-N 3.34Å; H487-L490 PolarHBondContact O-N 2.86Å; H487-N491 WeakPolarHBondContact O-CB 3.43Å; H487-N491 VanDerWaalsContact O-CG 3.24Å; H487-N491 PolarHBondContact O-N 3.06Å; H487-N491 PolarHBondContact O-ND2 2.95Å
488	I	98.2	Very high	97.5	Very high	35 Å²	35	23.3 Å²	23.3	18%	0.179	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-48.9	172.3	-66.5	168.1	0	0	0	109.8	L94 Y484 H485 I492	L94-I488 HydrophobicContact CD2-CB 4.3Å; L94-I488 HydrophobicContact CD2-CG2 3.95Å; Y484-I488 HydrophobicContact CD2-CD1 4.22Å; Y484-I488 WeakPolarHBondContact O-CG1 3.39Å; Y484-I488 PolarHBondContact O-N 2.91Å; Y484-I488 VanDerWaalsContact O-N 3.07Å; H485-I488 PolarHBondContact O-N 3.4Å; I488-I492 HydrophobicContact CG2-CD1 3.78Å; I488-I492 WeakPolarHBondContact O-CG1 3.43Å; I488-I492 PolarHBondContact O-N 2.99Å; I488-I492 VanDerWaalsContact O-N 3.09Å
489	F	98.5	Very high	97.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-54.4	-56.4	174.9	157.3	-104.1	0	0	0	111.8	L94 I96 L416 L420 M463 L465 F475 H485 V486 H487 N491 I492 F493	L94-F489 HydrophobicContact CD2-CB 4.4Å; I96-F489 HydrophobicContact CD1-CB 3.74Å; I96-F489 HydrophobicContact CD1-CD2 3.63Å; I96-F489 HydrophobicContact CD1-CG 3.88Å; L416-F489 HydrophobicContact CD1-CD1 3.58Å; L416-F489 HydrophobicContact CD1-CE1 3.4Å; L416-F489 VanDerWaalsContact CD1-CE1 3.4Å; L416-F489 HydrophobicContact CD1-CZ 4.31Å; L420-F489 HydrophobicContact CD2-CE1 4.06Å; L420-F489 HydrophobicContact CD2-CZ 3.91Å; M463-F489 HydrophobicContact CE-CD2 4.25Å; M463-F489 HydrophobicContact CE-CE2 4.34Å; M463-F489 HydrophobicContact SD-CB 4.37Å; M463-F489 HydrophobicContact SD-CD2 3.36Å; M463-F489 WeakPolarHBondContact SD-CD2 3.4Å; M463-F489 HydrophobicContact SD-CE2 4.01Å; M463-F489 HydrophobicContact SD-CG 4.31Å; L465-F489 HydrophobicContact CD1-CE2 4.46Å; L465-F489 HydrophobicContact CD2-CD2 4.45Å; L465-F489 HydrophobicContact CD2-CE2 4.33Å; F475-F489 HydrophobicContact CD1-CE2 4.17Å; F475-F489 HydrophobicContact CD1-CZ 4.27Å; F475-F489 HydrophobicContact CE1-CD2 4.23Å; F475-F489 HydrophobicContact CE1-CE1 4.32Å; F475-F489 AromaticContact CE1-CE2 3.35Å; F475-F489 HydrophobicContact CE1-CE2 3.35Å; F475-F489 AromaticContact CE1-CZ 3.41Å; F475-F489 HydrophobicContact CE1-CZ 3.41Å; F475-F489 VanDerWaalsContact CE1-CZ 3.41Å; F475-F489 HydrophobicContact CZ-CE2 4.03Å; F475-F489 AromaticContact CZ-CZ 3.67Å; F475-F489 HydrophobicContact CZ-CZ 3.67Å; H485-F489 WeakPolarHBondContact O-CB 3.45Å; H485-F489 PolarHBondContact O-N 3.22Å; V486-F489 WeakPolarHBondContact O-CB 3.48Å; V486-F489 PolarHBondContact O-N 3.41Å; H487-F489 VanDerWaalsContact C-N 3.34Å; F489-N491 VanDerWaalsContact C-N 3.32Å; F489-N491 PolarHBondContact O-N 3.48Å; F489-I492 PolarHBondContact O-N 2.92Å; F489-F493 HydrophobicContact CD2-CB 4.3Å; F489-F493 HydrophobicContact CE2-CB 3.79Å; F489-F493 AromaticContact CE2-CD1 3.95Å; F489-F493 HydrophobicContact CE2-CD1 3.95Å; F489-F493 AromaticContact CE2-CG 3.85Å; F489-F493 HydrophobicContact CE2-CG 3.85Å; F489-F493 HydrophobicContact CZ-CB 4.14Å; F489-F493 AromaticContact CZ-CD1 3.71Å; F489-F493 HydrophobicContact CZ-CD1 3.71Å; F489-F493 HydrophobicContact CZ-CE1 4.42Å; F489-F493 HydrophobicContact CZ-CG 4.09Å; F489-F493 VanDerWaalsContact O-CB 3.24Å; F489-F493 WeakPolarHBondContact O-CB 3.35Å; F489-F493 PolarHBondContact O-N 3.33Å
490	L	98.3	Very high	96.8	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-39.6	-174.5	-69.9	171.2	0	0	0	112	Y27 L423 V486 H487 N494	Y27-L490 HydrophobicContact CD1-CB 4.48Å; Y27-L490 HydrophobicContact CD1-CD1 3.84Å; Y27-L490 HydrophobicContact CD2-CB 3.51Å; Y27-L490 HydrophobicContact CD2-CD1 4.35Å; Y27-L490 HydrophobicContact CE1-CD1 3.77Å; Y27-L490 HydrophobicContact CE2-CB 3.65Å; Y27-L490 HydrophobicContact CE2-CD1 4.3Å; Y27-L490 HydrophobicContact CE2-CG 4.44Å; Y27-L490 HydrophobicContact CG-CB 3.96Å; Y27-L490 HydrophobicContact CG-CD1 4.13Å; L423-L490 HydrophobicContact CD1-CD2 3.76Å; L423-L490 HydrophobicContact CG-CD2 4.38Å; V486-L490 HydrophobicContact CG1-CD1 3.77Å; V486-L490 HydrophobicContact CG1-CG 4.13Å; V486-L490 VanDerWaalsContact O-CG 3.3Å; V486-L490 WeakPolarHBondContact O-CG 3.44Å; V486-L490 PolarHBondContact O-N 3.46Å; H487-L490 PolarHBondContact O-N 2.86Å; L490-N494 WeakPolarHBondContact O-CB 3.2Å; L490-N494 PolarHBondContact O-N 2.75Å
491	N	97.6	Very high	95.3	Very high	44 Å²	44	38.5 Å²	38.5	24%	0.235	19%	0.188	C	C	.	.	H	α-helix	trans	-63.6	-50.8	176.6	-75	-34.3	0	0	0	111.7	Y27 H487 F489 D495	Y27-N491 WeakPolarHBondContact CB-OD1 3.38Å; Y27-N491 PolarHBondContact N-OD1 3.43Å; Y27-N491 PolarHBondContact O-ND2 3.4Å; H487-N491 WeakPolarHBondContact O-CB 3.43Å; H487-N491 VanDerWaalsContact O-CG 3.24Å; H487-N491 PolarHBondContact O-N 3.06Å; H487-N491 PolarHBondContact O-ND2 2.95Å; F489-N491 VanDerWaalsContact C-N 3.32Å; F489-N491 PolarHBondContact O-N 3.48Å; N491-D495 PolarHBondContact O-N 2.77Å
492	I	97.8	Very high	95.2	Very high	26 Å²	26	40.5 Å²	40.5	13%	0.133	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-44.8	179.6	-67.3	170.8	0	0	0	110.5	P44 K461 M463 I488 F489 D495 V496	P44-I492 HydrophobicContact CG-CD1 3.79Å; K461-I492 HydrophobicContact CB-CG2 3.7Å; K461-I492 HydrophobicContact CD-CG2 4.43Å; M463-I492 HydrophobicContact CB-CG2 4.37Å; M463-I492 HydrophobicContact CE-CG2 4.12Å; M463-I492 HydrophobicContact SD-CB 4.48Å; M463-I492 HydrophobicContact SD-CG2 4.31Å; I488-I492 HydrophobicContact CG2-CD1 3.78Å; I488-I492 WeakPolarHBondContact O-CG1 3.43Å; I488-I492 PolarHBondContact O-N 2.99Å; I488-I492 VanDerWaalsContact O-N 3.09Å; F489-I492 PolarHBondContact O-N 2.92Å; I492-D495 PolarHBondContact O-N 2.96Å; I492-V496 WeakPolarHBondContact O-CG2 3.39Å; I492-V496 PolarHBondContact O-N 2.79Å; I492-V496 VanDerWaalsContact O-N 3.1Å
493	F	98.3	Very high	95.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-40.8	-176.7	-164.3	-131.2	0	0	0	111.6	L423 M463 L465 I473 F489 D495 V496 L497	L423-F493 HydrophobicContact CD1-CD1 3.66Å; L423-F493 HydrophobicContact CD1-CE1 4.35Å; M463-F493 HydrophobicContact CE-CB 3.95Å; M463-F493 HydrophobicContact CE-CD2 3.8Å; M463-F493 HydrophobicContact CE-CG 4.23Å; L465-F493 HydrophobicContact CD1-CD2 4.29Å; L465-F493 HydrophobicContact CD1-CE2 4.2Å; I473-F493 HydrophobicContact CD1-CE2 4.18Å; I473-F493 HydrophobicContact CD1-CZ 3.94Å; F489-F493 HydrophobicContact CD2-CB 4.3Å; F489-F493 HydrophobicContact CE2-CB 3.79Å; F489-F493 AromaticContact CE2-CD1 3.95Å; F489-F493 HydrophobicContact CE2-CD1 3.95Å; F489-F493 AromaticContact CE2-CG 3.85Å; F489-F493 HydrophobicContact CE2-CG 3.85Å; F489-F493 HydrophobicContact CZ-CB 4.14Å; F489-F493 AromaticContact CZ-CD1 3.71Å; F489-F493 HydrophobicContact CZ-CD1 3.71Å; F489-F493 HydrophobicContact CZ-CE1 4.42Å; F489-F493 HydrophobicContact CZ-CG 4.09Å; F489-F493 VanDerWaalsContact O-CB 3.24Å; F489-F493 WeakPolarHBondContact O-CB 3.35Å; F489-F493 PolarHBondContact O-N 3.33Å; F493-D495 VanDerWaalsContact C-N 3.3Å; F493-D495 PolarHBondContact O-N 3.21Å; F493-V496 WeakPolarHBondContact O-CB 3.43Å; F493-V496 PolarHBondContact O-N 3.07Å; F493-V496 VanDerWaalsContact O-N 3.08Å; F493-L497 HydrophobicContact CD1-CD1 3.8Å; F493-L497 HydrophobicContact CD1-CG 4.34Å; F493-L497 HydrophobicContact CE1-CD1 3.79Å; F493-L497 HydrophobicContact CE1-CD2 4.19Å; F493-L497 HydrophobicContact CE1-CG 4.21Å; F493-L497 HydrophobicContact CE2-CD2 4.32Å; F493-L497 HydrophobicContact CE2-CG 4.45Å; F493-L497 HydrophobicContact CG-CD1 4.32Å; F493-L497 HydrophobicContact CG-CG 4.5Å; F493-L497 HydrophobicContact CZ-CD1 4.33Å; F493-L497 HydrophobicContact CZ-CD2 3.92Å; F493-L497 HydrophobicContact CZ-CG 4.25Å; F493-L497 VanDerWaalsContact O-CG 3.26Å; F493-L497 WeakPolarHBondContact O-CG 3.28Å; F493-L497 PolarHBondContact O-N 3.23Å
494	N	97.9	Very high	95.1	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.064	19%	0.186	C	C	.	.	H	α-helix	trans	-56.3	-43.4	172.1	177	63.8	0	0	0	112.1	L423 Q426 Y427 L490 V496 L497 A498	L423-N494 HydrophobicContact CD2-CB 3.92Å; Q426-N494 PolarHBondContact OE1-OD1 3.2Å; Y427-N494 WeakPolarHBondContact CE2-OD1 3.38Å; Y427-N494 PolarHBondContact OH-OD1 2.72Å; L490-N494 WeakPolarHBondContact O-CB 3.2Å; L490-N494 PolarHBondContact O-N 2.75Å; N494-V496 VanDerWaalsContact C-N 3.27Å; N494-V496 PolarHBondContact O-N 2.83Å; N494-L497 PolarHBondContact O-N 2.95Å; N494-A498 WeakPolarHBondContact O-CB 3.41Å; N494-A498 PolarHBondContact O-N 3.05Å
495	D	96.3	Very high	95	Very high	83 Å²	83	36.5 Å²	36.5	44%	0.444	19%	0.185	S	C	.	.	H	α-helix	trans	-67	-27.3	178.1	-69.9	-12.3	0	0	0	112.9	K461 N491 I492 F493 Q499	K461-D495 PolarHBondContact NZ-O 2.84Å; K461-D495 VanDerWaalsContact NZ-O 3.16Å; N491-D495 PolarHBondContact O-N 2.77Å; I492-D495 PolarHBondContact O-N 2.96Å; F493-D495 VanDerWaalsContact C-N 3.3Å; F493-D495 PolarHBondContact O-N 3.21Å; D495-Q499 WeakPolarHBondContact O-CG 3.27Å
496	V	97.6	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-74.4	-47	172.2	174.2	0	0	0	0	110.2	L454 Q457 K461 I492 F493 N494 A498 Q499 N500	L454-V496 HydrophobicContact CD2-CG1 3.74Å; Q457-V496 HydrophobicContact CB-CG1 3.69Å; Q457-V496 HydrophobicContact CB-CG2 4.45Å; K461-V496 HydrophobicContact CD-CG2 3.77Å; K461-V496 HydrophobicContact CG-CG2 4.3Å; I492-V496 WeakPolarHBondContact O-CG2 3.39Å; I492-V496 PolarHBondContact O-N 2.79Å; I492-V496 VanDerWaalsContact O-N 3.1Å; F493-V496 WeakPolarHBondContact O-CB 3.43Å; F493-V496 PolarHBondContact O-N 3.07Å; F493-V496 VanDerWaalsContact O-N 3.08Å; N494-V496 VanDerWaalsContact C-N 3.27Å; N494-V496 PolarHBondContact O-N 2.83Å; V496-A498 VanDerWaalsContact C-N 3.3Å; V496-A498 PolarHBondContact O-N 2.98Å; V496-Q499 WeakPolarHBondContact O-CB 3.47Å; V496-Q499 PolarHBondContact O-N 3.06Å; V496-Q499 VanDerWaalsContact O-N 3.14Å; V496-N500 PolarHBondContact O-ND2 3.26Å
497	L	97.3	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-39.5	179.3	-65.8	167.8	0	0	0	111.8	L423 Y427 L430 L431 L454 F493 N494 Q499 N500	L423-L497 HydrophobicContact CB-CD1 4.3Å; L423-L497 HydrophobicContact CD1-CD1 4.09Å; L423-L497 HydrophobicContact CD2-CD1 4.13Å; L423-L497 HydrophobicContact CG-CD1 4.42Å; Y427-L497 HydrophobicContact CD1-CB 4.15Å; Y427-L497 HydrophobicContact CD2-CB 4.12Å; Y427-L497 HydrophobicContact CD2-CD1 3.95Å; Y427-L497 HydrophobicContact CE1-CB 3.9Å; Y427-L497 HydrophobicContact CE2-CB 3.94Å; Y427-L497 HydrophobicContact CE2-CD1 4.1Å; Y427-L497 HydrophobicContact CG-CB 4.26Å; L430-L497 HydrophobicContact CD2-CB 4.49Å; L430-L497 HydrophobicContact CD2-CD2 3.59Å; L430-L497 HydrophobicContact CG-CD2 4.36Å; L431-L497 HydrophobicContact CD1-CD1 3.7Å; L431-L497 HydrophobicContact CD1-CD2 4.02Å; L431-L497 HydrophobicContact CD2-CD2 4.07Å; L431-L497 HydrophobicContact CG-CD2 4.23Å; L454-L497 HydrophobicContact CD1-CD2 4.07Å; L454-L497 HydrophobicContact CD2-CD2 4.24Å; F493-L497 HydrophobicContact CD1-CD1 3.8Å; F493-L497 HydrophobicContact CD1-CG 4.34Å; F493-L497 HydrophobicContact CE1-CD1 3.79Å; F493-L497 HydrophobicContact CE1-CD2 4.19Å; F493-L497 HydrophobicContact CE1-CG 4.21Å; F493-L497 HydrophobicContact CE2-CD2 4.32Å; F493-L497 HydrophobicContact CE2-CG 4.45Å; F493-L497 HydrophobicContact CG-CD1 4.32Å; F493-L497 HydrophobicContact CG-CG 4.5Å; F493-L497 HydrophobicContact CZ-CD1 4.33Å; F493-L497 HydrophobicContact CZ-CD2 3.92Å; F493-L497 HydrophobicContact CZ-CG 4.25Å; F493-L497 VanDerWaalsContact O-CG 3.26Å; F493-L497 WeakPolarHBondContact O-CG 3.28Å; F493-L497 PolarHBondContact O-N 3.23Å; N494-L497 PolarHBondContact O-N 2.95Å; L497-Q499 PolarHBondContact O-N 3.03Å; L497-Q499 VanDerWaalsContact O-N 3.13Å; L497-N500 PolarHBondContact O-N 3.38Å
498	A	95	Very high	94.4	Very high	45 Å²	45	41.9 Å²	41.9	37%	0.372	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-58.7	-25.3	177.6	0	0	0	0	0	113.9	N494 V496 N500	N494-A498 WeakPolarHBondContact O-CB 3.41Å; N494-A498 PolarHBondContact O-N 3.05Å; V496-A498 VanDerWaalsContact C-N 3.3Å; V496-A498 PolarHBondContact O-N 2.98Å; A498-N500 VanDerWaalsContact C-N 3.33Å
499	Q	93.2	Very high	94.1	Very high	120 Å²	120	42.5 Å²	42.5	56%	0.561	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-83.7	-7.9	177.9	-63.2	173.5	-3.1	0	0	113.2	K461 D495 V496 L497	K461-Q499 VanDerWaalsContact NZ-NE2 3.1Å; D495-Q499 WeakPolarHBondContact O-CG 3.27Å; V496-Q499 WeakPolarHBondContact O-CB 3.47Å; V496-Q499 PolarHBondContact O-N 3.06Å; V496-Q499 VanDerWaalsContact O-N 3.14Å; L497-Q499 PolarHBondContact O-N 3.03Å; L497-Q499 VanDerWaalsContact O-N 3.13Å
500	N	88.1	Confident	93.7	Very high	28 Å²	28	46 Å²	46	15%	0.15	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-124.7	21.7	-173.3	-65.8	-91.8	0	0	0	112.8	L430 L454 Q457 V496 L497 A498	L430-N500 HydrophobicContact CD2-CB 4.26Å; L454-N500 HydrophobicContact CD2-CB 4.14Å; Q457-N500 PolarHBondContact OE1-ND2 3.46Å; Q457-N500 PolarHBondContact OE1-OD1 2.8Å; V496-N500 PolarHBondContact O-ND2 3.26Å; L497-N500 PolarHBondContact O-N 3.38Å; A498-N500 VanDerWaalsContact C-N 3.33Å
501	K	67.3	Low	93.3	Very high	191 Å²	191	49.9 Å²	49.9	83%	0.83	25%	0.254	S	S	*	.			trans	-61.1	0	179.4	-76.5	-172.4	176.3	-174.9	0	113.1	Y427	Y427-K501 HydrophobicContact CD1-CG 4.01Å; Y427-K501 HydrophobicContact CE1-CD 4.15Å; Y427-K501 HydrophobicContact CE1-CG 3.81Å

Retrieved 501 of 501 residues in 110.9 ms (Link to these results)

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