A0A087Y125_POEFO Loading...

Legumain

Has a strict specificity for hydrolysis of asparaginyl bonds. Can also cleave aspartyl bonds slowly, especially under acidic conditions. Involved in the processing of proteins for MHC class II antigen presentation in the lysosomal/endosomal system. Also involved in MHC class I antigen presentation in cross-presenting dendritic cells by mediating cleavage and maturation of Perforin-2 (MPEG1), thereby promoting antigen translocation in the cytosol. Required for normal lysosomal protein degradation in renal proximal tubules. Required for normal degradation of internalized EGFR. Plays a role in the regulation of cell proliferation via its role in EGFR degradation.

AlphaFold DB , UniProt , Accession A0A087Y125, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 aa.

Structure Viewer

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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	39.3	Very low	39.5	Very low	240 Å²	240	160.5 Å²	160.5	100%	1.182	87%	0.874	S	S	*	*				0	133.7	0	-111	178.6	-115.3	0	0	108
2	R	37.4	Very low	39.7	Very low	245 Å²	245	161.7 Å²	161.7	93%	0.925	88%	0.878	S	S	*	*			trans	81.6	86.4	171.1	-56.5	-171.8	178	-169.7	-1.3	118.4
3	Q	37.8	Very low	39.6	Very low	191 Å²	191	158.7 Å²	158.7	89%	0.893	88%	0.876	S	S	*	*			trans	-66.2	173.5	139	-76.7	172.1	-38.1	0	0	111.4
4	A	38.3	Very low	40.3	Very low	96 Å²	96	157.8 Å²	157.8	79%	0.793	88%	0.877	S	S	*	*			trans	102.6	129.6	174.8	0	0	0	0	0	111.9
5	V	40.9	Very low	40.6	Very low	117 Å²	117	151.8 Å²	151.8	71%	0.709	87%	0.865	S	S	*	*			cis	-155.5	132.2	21.6	173.3	0	0	0	0	107.7
6	L	35.2	Very low	40.7	Very low	186 Å²	186	151.4 Å²	151.4	97%	0.974	86%	0.859	S	S	*	*			trans	-154.4	65.5	156.2	-108.7	129.7	0	0	0	108.9
7	L	41.7	Very low	40.8	Very low	154 Å²	154	151.2 Å²	151.2	81%	0.806	86%	0.861	S	S	*	*			trans	-94.5	137.1	143.9	-88.8	88.8	0	0	0	104
8	S	41.8	Very low	40.8	Very low	103 Å²	103	148.7 Å²	148.7	72%	0.72	84%	0.844	S	S	*	*			cis	-179.2	129	46.7	36.4	0	0	0	0	106.6
9	L	36	Very low	41.1	Very low	180 Å²	180	145.1 Å²	145.1	94%	0.942	84%	0.842	S	S	*	*			trans	-170.9	60.2	157.2	-100	163.4	0	0	0	108.7
10	L	41.3	Very low	41.1	Very low	186 Å²	186	147.7 Å²	147.7	97%	0.974	84%	0.839	S	S	*	*			trans	-139.2	98.2	164.1	-104	118.8	0	0	0	107
11	G	45.1	Very low	41.4	Very low	68 Å²	68	146.1 Å²	146.1	70%	0.701	83%	0.834	S	S	*	*			trans	160.9	78.2	178.2	0	0	0	0	0	111.2
12	L	41.1	Very low	41.9	Very low	174 Å²	174	138.6 Å²	138.6	91%	0.911	81%	0.81	S	S	*	*			trans	172.2	79.5	149.7	-95	149	0	0	0	108.8
13	S	38.4	Very low	42.4	Very low	123 Å²	123	132.7 Å²	132.7	86%	0.86	80%	0.804	S	S	*	*			trans	-147.1	38.8	162.1	56.8	0	0	0	0	111.3
14	V	49.3	Very low	43.3	Very low	146 Å²	146	129.7 Å²	129.7	89%	0.885	79%	0.79	S	S	*	*	S	Bend	trans	-122.2	110.5	165	-176.6	0	0	0	0	106.4
15	G	45.6	Very low	44.2	Very low	68 Å²	68	131.8 Å²	131.8	70%	0.701	78%	0.783	S	S	*	*	S	Bend	trans	123.9	57.1	172.7	0	0	0	0	0	115.2
16	L	41.7	Very low	45	Very low	146 Å²	146	131.5 Å²	131.5	76%	0.764	78%	0.784	S	S	*	*			trans	-159.6	64.1	151.3	-101.9	139.2	0	0	0	107.6	L18	L16-L18 HydrophobicContact CD2-CD1 4.18Å; L16-L18 HydrophobicContact CD2-CD2 3.64Å; L16-L18 HydrophobicContact CD2-CG 3.64Å; L16-L18 PolarHBondContact O-N 3.14Å
17	V	42.6	Very low	46.6	Very low	148 Å²	148	124.5 Å²	124.5	90%	0.897	75%	0.747	S	S	*	*			trans	-73.7	81.1	151.4	-177.3	0	0	0	0	104.6	G19	V17-G19 PolarHBondContact O-N 3.2Å
18	L	41.8	Very low	48.1	Very low	106 Å²	106	121.5 Å²	121.5	56%	0.555	74%	0.739	S	S	*	*			trans	-52.1	129.2	157.5	-71.7	167.4	0	0	0	105.7	L16 Y20	L16-L18 HydrophobicContact CD2-CD1 4.18Å; L16-L18 HydrophobicContact CD2-CD2 3.64Å; L16-L18 HydrophobicContact CD2-CG 3.64Å; L16-L18 PolarHBondContact O-N 3.14Å; L18-Y20 HydrophobicContact CB-CD2 4.37Å; L18-Y20 HydrophobicContact CB-CE2 4.36Å; L18-Y20 WeakPolarHBondContact O-CD2 3.49Å; L18-Y20 PolarHBondContact O-N 2.64Å
19	G	45.6	Very low	50.4	Low	79 Å²	79	117.5 Å²	117.5	81%	0.814	71%	0.714	S	S	*	*			trans	-61.8	74.2	178.2	0	0	0	0	0	111.4	V17	V17-G19 PolarHBondContact O-N 3.2Å
20	Y	41.5	Very low	53.4	Low	198 Å²	198	114.2 Å²	114.2	78%	0.776	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-62.7	128.2	161.1	-85	-85.1	0	0	0	106.6	L18 A22	L18-Y20 HydrophobicContact CB-CD2 4.37Å; L18-Y20 HydrophobicContact CB-CE2 4.36Å; L18-Y20 WeakPolarHBondContact O-CD2 3.49Å; L18-Y20 PolarHBondContact O-N 2.64Å; Y20-A22 PolarHBondContact O-N 3.03Å
21	P	46.7	Very low	56.1	Low	114 Å²	114	105.7 Å²	105.7	74%	0.74	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-54.3	128.7	172	22	-29.8	0	0	0	107.6
22	A	49.5	Very low	58.7	Low	82 Å²	82	103 Å²	103	68%	0.678	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-51.6	143.9	170.3	0	0	0	0	0	108.4	Y20 E24	Y20-A22 PolarHBondContact O-N 3.03Å; A22-E24 PolarHBondContact O-N 3.13Å
23	P	48.2	Very low	61.4	Low	121 Å²	121	94.7 Å²	94.7	79%	0.786	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-49.5	130.6	176.2	-4.3	3.6	0	0	0	109.4	E25	P23-E25 PolarHBondContact O-N 3.38Å
24	E	56.5	Low	64.3	Low	129 Å²	129	88.9 Å²	88.9	60%	0.603	53%	0.532	S	S	*	.			trans	-51	111.5	178.2	-81.1	176	170.4	0	0	108.7	A22	A22-E24 PolarHBondContact O-N 3.13Å
25	E	57.7	Low	66.7	Low	140 Å²	140	81.9 Å²	81.9	65%	0.654	49%	0.49	S	S	*	.			trans	-60.5	137.8	171	-76.7	-160.1	156.3	0	0	108.6	P23 D27 K181	P23-E25 PolarHBondContact O-N 3.38Å; E25-D27 PolarHBondContact O-N 3.36Å; E25-D27 VanDerWaalsContact O-N 3.11Å; E25-K181 IonicContact OE2-NZ 2.95Å; E25-K181 PolarHBondContact OE2-NZ 3.08Å
26	P	57.8	Low	69.2	Low	110 Å²	110	78.7 Å²	78.7	71%	0.714	46%	0.456	S	S	*	.			trans	-56	122.5	-178.5	19.3	-29.6	0	0	0	110.7	S28	P26-S28 PolarHBondContact O-N 3.26Å; P26-S28 PolarHBondContact O-OG 2.83Å
27	D	68.6	Low	71.9	Confident	39 Å²	39	71.7 Å²	71.7	21%	0.209	42%	0.42	C	S	.	.			trans	-66.4	93.2	178.4	-155	-14.7	0	0	0	109.7	E25 H31 H141 Q283	E25-D27 PolarHBondContact O-N 3.36Å; E25-D27 VanDerWaalsContact O-N 3.11Å; D27-H31 IonicContact OD1-NE2 3.88Å; D27-H31 PolarHBondContact OD1-NE2 2.91Å; D27-H31 IonicContact OD2-CE1 3.86Å; D27-H31 PolarHBondContact OD2-CE1 3.46Å; D27-H31 IonicContact OD2-NE2 3.5Å; D27-H31 PolarHBondContact OD2-NE2 2.66Å; D27-H31 VanDerWaalsContact OD2-NE2 3.09Å; D27-H141 IonicContact OD1-CE1 3.71Å; D27-H141 IonicContact OD1-ND1 3Å; D27-H141 IonicContact OD2-CE1 2.66Å; D27-H141 PolarHBondContact OD2-CE1 3.07Å; D27-H141 VanDerWaalsContact OD2-CE1 3.29Å; D27-H141 IonicContact OD2-ND1 3.78Å; D27-Q283 PolarHBondContact OD2-NE2 3.16Å
28	S	72.9	Confident	74.6	Confident	92 Å²	92	64.7 Å²	64.7	64%	0.643	38%	0.377	S	S	*	.			trans	-105.3	-7.4	-173	52.5	0	0	0	0	113	P26	P26-S28 PolarHBondContact O-N 3.26Å; P26-S28 PolarHBondContact O-OG 2.83Å
29	G	91.8	Very high	77.3	Confident	18 Å²	18	60 Å²	60	19%	0.186	35%	0.353	C	S	.	.	S	Bend	trans	-82.5	-177	177	0	0	0	0	0	113.7	N139 D140	G29-N139 WeakPolarHBondContact CA-O 3.3Å; G29-D140 WeakPolarHBondContact CA-OD1 3.45Å
30	K	97.5	Very high	79.8	Confident	111 Å²	111	57.7 Å²	57.7	48%	0.483	32%	0.322	S	S	.	.			trans	-95.1	153.1	170.5	-67.3	174.3	173.6	-171.1	0	110.2	W32 D140 H141	K30-W32 HydrophobicContact CD-CZ2 4.43Å; K30-D140 PolarHBondContact N-OD1 3.09Å; K30-D140 CarbonylContact O-C 3.27Å; K30-D140 VanDerWaalsContact O-CA 3.23Å; K30-D140 WeakPolarHBondContact O-CA 3.47Å; K30-D140 WeakPolarHBondContact O-CB 3.34Å; K30-H141 PolarHBondContact O-N 3.47Å
31	H	98.5	Very high	82.5	Confident	8 Å²	8	49.4 Å²	49.4	4%	0.037	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.6	172.7	-57	167.5	0	0	0	109	D27 I63 Q67 H141 Q283 G286 P288	D27-H31 IonicContact OD1-NE2 3.88Å; D27-H31 PolarHBondContact OD1-NE2 2.91Å; D27-H31 IonicContact OD2-CE1 3.86Å; D27-H31 PolarHBondContact OD2-CE1 3.46Å; D27-H31 IonicContact OD2-NE2 3.5Å; D27-H31 PolarHBondContact OD2-NE2 2.66Å; D27-H31 VanDerWaalsContact OD2-NE2 3.09Å; H31-I63 HydrophobicContact CB-CD1 4.01Å; H31-I63 HydrophobicContact CB-CG1 4.48Å; H31-I63 WeakPolarHBondContact O-CG2 3.47Å; H31-Q67 PolarHBondContact O-NE2 3.05Å; H31-H141 WeakPolarHBondContact CA-O 3.29Å; H31-H141 AromaticContact CD2-CG 3.98Å; H31-H141 AromaticContact CD2-ND1 3.67Å; H31-H141 AromaticContact NE2-ND1 3.42Å; H31-H141 PolarHBondContact NE2-ND1 3.43Å; H31-Q283 PolarHBondContact CD2-O 2.96Å; H31-Q283 PolarHBondContact CE1-O 3.3Å; H31-Q283 PolarHBondContact ND1-O 3.3Å; H31-Q283 PolarHBondContact NE2-O 3.48Å; H31-G286 PolarHBondContact ND1-O 3Å; H31-P288 WeakPolarHBondContact CE1-CD 3.48Å
32	W	98.9	Very high	85	Confident	11 Å²	11	45.3 Å²	45.3	4%	0.042	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.8	-178.4	-68.4	81.5	0	0	0	110.4	K30 E66 Q67 L134 K135 S136 D140 H141 V142 F143	K30-W32 HydrophobicContact CD-CZ2 4.43Å; W32-E66 WeakPolarHBondContact CZ3-O 3.42Å; W32-Q67 CarbonylContact C-O 3.55Å; W32-Q67 WeakPolarHBondContact CA-O 3.46Å; W32-Q67 HydrophobicContact CD2-CB 4.19Å; W32-Q67 HydrophobicContact CD2-CG 4.06Å; W32-Q67 HydrophobicContact CE3-CB 4.1Å; W32-Q67 HydrophobicContact CE3-CG 4.19Å; W32-Q67 HydrophobicContact CH2-CG 4.19Å; W32-Q67 HydrophobicContact CZ2-CG 4.1Å; W32-Q67 HydrophobicContact CZ3-CB 4.43Å; W32-Q67 HydrophobicContact CZ3-CG 4.26Å; W32-L134 HydrophobicContact CB-CD2 3.8Å; W32-L134 HydrophobicContact CD2-CD2 4.16Å; W32-L134 HydrophobicContact CE3-CD2 3.69Å; W32-L134 HydrophobicContact CG-CD2 4.25Å; W32-K135 HydrophobicContact CH2-CB 3.57Å; W32-K135 HydrophobicContact CH2-CG 4.2Å; W32-K135 HydrophobicContact CZ2-CB 3.8Å; W32-K135 HydrophobicContact CZ3-CB 4.4Å; W32-S136 VanDerWaalsContact CD1-CB 3.45Å; W32-D140 PolarHBondContact NE1-OD2 3.19Å; W32-H141 PolarHBondContact N-O 3.4Å; W32-V142 HydrophobicContact CB-CG2 4.3Å; W32-V142 CarbonylContact O-C 3.59Å; W32-V142 WeakPolarHBondContact O-CA 3.45Å; W32-F143 PolarHBondContact O-N 2.8Å
33	V	98.9	Very high	87.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.1	-177.5	179	0	0	0	0	110	I35 V58 I63 Q67 I68 V69 F143	V33-I35 HydrophobicContact CG1-CG2 3.65Å; V33-V58 HydrophobicContact CG1-CG1 4.3Å; V33-V58 HydrophobicContact CG1-CG2 4.28Å; V33-V58 HydrophobicContact CG2-CB 4.21Å; V33-V58 HydrophobicContact CG2-CG1 4.02Å; V33-V58 HydrophobicContact CG2-CG2 4.43Å; V33-I63 HydrophobicContact CG2-CD1 3.45Å; V33-I63 VanDerWaalsContact CG2-CD1 3.45Å; V33-I63 HydrophobicContact CG2-CG2 4.27Å; V33-Q67 PolarHBondContact N-O 2.85Å; V33-I68 HydrophobicContact CB-CG1 4.24Å; V33-I68 HydrophobicContact CB-CG2 4.24Å; V33-I68 HydrophobicContact CG1-CG2 4.28Å; V33-I68 CarbonylContact O-C 2.92Å; V33-I68 WeakPolarHBondContact O-CA 3.23Å; V33-V69 PolarHBondContact O-N 2.89Å; V33-F143 CarbonylContact C-O 3.53Å; V33-F143 VanDerWaalsContact CA-O 3.27Å; V33-F143 WeakPolarHBondContact CA-O 3.37Å; V33-F143 HydrophobicContact CG1-CD1 4.14Å; V33-F143 HydrophobicContact CG2-CB 4.37Å; V33-F143 HydrophobicContact CG2-CD1 4.45Å
34	V	98.9	Very high	89.6	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	119.6	166.7	-174.3	0	0	0	0	107.8	V36 V69 F115 V118 L119 L134 F143 V144 Y145	V34-V36 HydrophobicContact CG1-CG2 4.08Å; V34-V69 WeakPolarHBondContact CA-O 3.17Å; V34-V69 HydrophobicContact CG1-CB 4.45Å; V34-V69 HydrophobicContact CG2-CB 4.4Å; V34-F115 HydrophobicContact CG1-CD2 4.14Å; V34-F115 HydrophobicContact CG1-CE2 3.91Å; V34-V118 HydrophobicContact CG1-CG1 4.05Å; V34-V118 HydrophobicContact CG2-CG1 3.95Å; V34-L119 HydrophobicContact CG2-CD2 4.14Å; V34-L134 HydrophobicContact CG2-CD1 4.07Å; V34-L134 HydrophobicContact CG2-CD2 3.65Å; V34-L134 HydrophobicContact CG2-CG 3.91Å; V34-F143 PolarHBondContact N-O 3.03Å; V34-V144 HydrophobicContact CB-CG1 4.37Å; V34-V144 HydrophobicContact CB-CG2 4.45Å; V34-V144 CarbonylContact O-C 3.57Å; V34-V144 VanDerWaalsContact O-CA 3.3Å; V34-V144 WeakPolarHBondContact O-CA 3.43Å; V34-Y145 PolarHBondContact O-N 2.89Å
35	I	98.9	Very high	91.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.3	178.7	55.8	177.1	0	0	0	110.1	V33 V51 A54 V69 V70 M71 Y145	V33-I35 HydrophobicContact CG1-CG2 3.65Å; I35-V51 HydrophobicContact CB-CG1 4.28Å; I35-V51 HydrophobicContact CD1-CG1 3.79Å; I35-V51 WeakPolarHBondContact CD1-O 3.45Å; I35-V51 HydrophobicContact CG1-CG1 3.95Å; I35-A54 HydrophobicContact CG2-CB 4.18Å; I35-V69 PolarHBondContact N-O 3.37Å; I35-V70 HydrophobicContact CD1-CB 4.38Å; I35-V70 HydrophobicContact CD1-CG1 4.19Å; I35-V70 HydrophobicContact CD1-CG2 3.6Å; I35-V70 HydrophobicContact CG1-CB 4.11Å; I35-V70 HydrophobicContact CG1-CG1 4.1Å; I35-V70 HydrophobicContact CG1-CG2 3.65Å; I35-M71 PolarHBondContact O-N 3.1Å; I35-Y145 CarbonylContact C-O 3.6Å; I35-Y145 VanDerWaalsContact CA-O 3.3Å; I35-Y145 WeakPolarHBondContact CA-O 3.22Å; I35-Y145 HydrophobicContact CG2-CD1 4.14Å
36	V	98.9	Very high	93.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.2	-170.2	-175.3	0	0	0	0	111.3	V34 V51 M71 F115 Y145 F146 T147 F157	V34-V36 HydrophobicContact CG1-CG2 4.08Å; V36-V51 VanDerWaalsContact C-CG2 3.41Å; V36-M71 CarbonylContact C-O 3.57Å; V36-M71 WeakPolarHBondContact CA-O 3.26Å; V36-M71 HydrophobicContact CB-CB 4.39Å; V36-M71 HydrophobicContact CG1-CB 4.11Å; V36-M71 HydrophobicContact CG2-CB 4.1Å; V36-M71 HydrophobicContact CG2-CG 4.19Å; V36-M71 HydrophobicContact CG2-SD 4.03Å; V36-F115 HydrophobicContact CG2-CD2 3.61Å; V36-F115 HydrophobicContact CG2-CE2 3.69Å; V36-Y145 PolarHBondContact N-O 2.8Å; V36-F146 HydrophobicContact CB-CD2 3.9Å; V36-F146 HydrophobicContact CG1-CD2 3.83Å; V36-F146 HydrophobicContact CG1-CE2 3.95Å; V36-F146 WeakPolarHBondContact O-CA 3.49Å; V36-T147 PolarHBondContact O-N 3.37Å; V36-F157 HydrophobicContact CG1-CE1 3.88Å; V36-F157 HydrophobicContact CG1-CZ 3.89Å
37	A	98.9	Very high	95.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.6	165.8	0	0	0	0	0	107.7	S39 H47 Q48 V51 M71 M72 T147	A37-S39 VanDerWaalsContact C-N 3.33Å; A37-S39 PolarHBondContact O-N 2.79Å; A37-H47 HydrophobicContact CB-CB 4.41Å; A37-Q48 HydrophobicContact CB-CB 4.41Å; A37-Q48 HydrophobicContact CB-CG 3.74Å; A37-V51 HydrophobicContact CB-CB 4.28Å; A37-V51 HydrophobicContact CB-CG2 3.62Å; A37-M71 PolarHBondContact N-O 3.44Å; A37-M72 HydrophobicContact CB-CB 4.15Å; A37-T147 WeakPolarHBondContact CA-O 3.5Å
38	G	98.4	Very high	97	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.			trans	-82.2	-2.2	-174.6	0	0	0	0	0	115.1	T147 D148 A156 F157 P158	G38-T147 PolarHBondContact N-O 3.46Å; G38-D148 VanDerWaalsContact CA-CG 3.44Å; G38-D148 WeakPolarHBondContact CA-OD2 3.36Å; G38-A156 WeakPolarHBondContact CA-O 3.32Å; G38-F157 CarbonylContact O-C 3.36Å; G38-F157 WeakPolarHBondContact O-CA 3.26Å; G38-P158 WeakPolarHBondContact O-CA 3.34Å; G38-P158 WeakPolarHBondContact O-CD 3.36Å; G38-P158 WeakPolarHBondContact O-CG 3.41Å
39	S	98.6	Very high	98.3	Very high	7 Å²	7	14.5 Å²	14.5	5%	0.049	8%	0.076	C	C	.	.			trans	-134.3	173.1	-178.1	51.5	0	0	0	0	114.5	A37 N44 H47 Q48 D148	A37-S39 VanDerWaalsContact C-N 3.33Å; A37-S39 PolarHBondContact O-N 2.79Å; S39-N44 WeakPolarHBondContact OG-CB 3.29Å; S39-H47 PolarHBondContact OG-ND1 2.92Å; S39-Q48 PolarHBondContact O-NE2 2.99Å; S39-D148 WeakPolarHBondContact CB-OD1 3.43Å; S39-D148 PolarHBondContact N-OD1 2.83Å; S39-D148 PolarHBondContact OG-OD1 2.82Å
40	N	98.4	Very high	98.6	Very high	31 Å²	31	13.6 Å²	13.6	17%	0.166	7%	0.067	C	C	.	.			trans	-133.9	179.2	178.8	63.8	18	0	0	0	110.4	N44 Y73	N40-N44 WeakPolarHBondContact O-CB 3.47Å; N40-N44 PolarHBondContact O-ND2 2.62Å; N40-Y73 HydrophobicContact CB-CD1 3.4Å; N40-Y73 HydrophobicContact CB-CD2 4.03Å; N40-Y73 HydrophobicContact CB-CE1 4.01Å; N40-Y73 HydrophobicContact CB-CG 3.42Å; N40-Y73 VanDerWaalsContact CB-CG 3.42Å
41	G	98.1	Very high	98.7	Very high	24 Å²	24	8.3 Å²	8.3	25%	0.247	4%	0.044	C	C	.	.	S	Bend	trans	84.1	151	177	0	0	0	0	0	112.9	Y43 N44 D75	G41-Y43 VanDerWaalsContact C-N 3.31Å; G41-Y43 PolarHBondContact O-N 3.3Å; G41-N44 CarbonylContact O-C 3.57Å; G41-N44 WeakPolarHBondContact O-CA 3.39Å; G41-N44 PolarHBondContact O-N 3.28Å; G41-D75 WeakPolarHBondContact CA-OD2 3.46Å; G41-D75 PolarHBondContact N-OD2 2.67Å
42	W	98.4	Very high	98.7	Very high	28 Å²	28	8 Å²	8	11%	0.106	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-63.2	-31	-170.4	-167.1	-107	0	0	0	114.5	N44 Y45 L76 N79 A81 N82 R226 T228	W42-N44 PolarHBondContact O-N 3.04Å; W42-Y45 HydrophobicContact CE3-CD2 4.16Å; W42-Y45 AromaticContact CH2-CD2 3.74Å; W42-Y45 HydrophobicContact CH2-CD2 3.74Å; W42-Y45 AromaticContact CH2-CE2 3.74Å; W42-Y45 HydrophobicContact CH2-CE2 3.74Å; W42-Y45 HydrophobicContact CZ2-CD2 4.24Å; W42-Y45 HydrophobicContact CZ2-CE2 4.45Å; W42-Y45 AromaticContact CZ3-CD2 3.71Å; W42-Y45 HydrophobicContact CZ3-CD2 3.71Å; W42-Y45 AromaticContact CZ3-CE2 3.97Å; W42-Y45 HydrophobicContact CZ3-CE2 3.97Å; W42-Y45 WeakPolarHBondContact O-CB 3.35Å; W42-Y45 PolarHBondContact O-N 3.02Å; W42-L76 HydrophobicContact CE3-CD2 3.88Å; W42-L76 HydrophobicContact CZ3-CB 4.34Å; W42-L76 HydrophobicContact CZ3-CD2 4.31Å; W42-N79 HydrophobicContact CE3-CB 3.69Å; W42-N79 HydrophobicContact CZ3-CB 3.73Å; W42-A81 HydrophobicContact CD2-CB 3.68Å; W42-A81 HydrophobicContact CE3-CB 4.28Å; W42-A81 HydrophobicContact CG-CB 3.82Å; W42-A81 HydrophobicContact CZ2-CB 4.24Å; W42-A81 WeakPolarHBondContact CZ2-O 3.11Å; W42-N82 HydrophobicContact CH2-CB 3.44Å; W42-N82 VanDerWaalsContact CH2-CB 3.44Å; W42-N82 HydrophobicContact CZ2-CB 4.38Å; W42-N82 HydrophobicContact CZ3-CB 3.75Å; W42-R226 HydrophobicContact CZ2-CB 3.92Å; W42-R226 HydrophobicContact CZ2-CG 4.18Å; W42-R226 PolarHBondContact NE1-O 3.16Å; W42-T228 HydrophobicContact CZ2-CG2 4.43Å; W42-T228 PolarHBondContact O-OG1 3.11Å
43	Y	97.5	Very high	98.7	Very high	52 Å²	52	7.9 Å²	7.9	20%	0.204	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-68.6	-22.5	175	-71.5	-3.1	0	0	0	112.7	G41 R46 P315 I318	G41-Y43 VanDerWaalsContact C-N 3.31Å; G41-Y43 PolarHBondContact O-N 3.3Å; Y43-R46 PolarHBondContact O-NH1 3.31Å; Y43-P315 HydrophobicContact CD2-CB 3.67Å; Y43-P315 HydrophobicContact CD2-CG 4.04Å; Y43-P315 HydrophobicContact CE2-CB 3.94Å; Y43-I318 HydrophobicContact CD1-CD1 3.61Å; Y43-I318 HydrophobicContact CD1-CG2 4.49Å; Y43-I318 HydrophobicContact CE1-CD1 4.11Å; Y43-I318 HydrophobicContact CE1-CG2 3.93Å; Y43-I318 HydrophobicContact CG-CD1 3.9Å
44	N	98.6	Very high	98.7	Very high	12 Å²	12	7.9 Å²	7.9	6%	0.064	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-101.3	25.3	176.3	-64.7	-40.1	0	0	0	112.5	S39 N40 G41 W42 R46 H47 H149 E403	S39-N44 WeakPolarHBondContact OG-CB 3.29Å; N40-N44 WeakPolarHBondContact O-CB 3.47Å; N40-N44 PolarHBondContact O-ND2 2.62Å; G41-N44 CarbonylContact O-C 3.57Å; G41-N44 WeakPolarHBondContact O-CA 3.39Å; G41-N44 PolarHBondContact O-N 3.28Å; W42-N44 PolarHBondContact O-N 3.04Å; N44-R46 PolarHBondContact O-N 2.99Å; N44-R46 VanDerWaalsContact O-N 3.15Å; N44-R46 PolarHBondContact OD1-NH1 3.07Å; N44-R46 PolarHBondContact OD1-NH2 3.02Å; N44-H47 PolarHBondContact O-N 3.44Å; N44-H149 PolarHBondContact OD1-NE2 3.47Å; N44-E403 PolarHBondContact ND2-OE2 3.43Å
45	Y	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-45.8	-46.5	176	-179.5	-78.9	0	0	0	112.9	W42 H47 Q48 A49 L76 L88 I89 T228 L230	W42-Y45 HydrophobicContact CE3-CD2 4.16Å; W42-Y45 AromaticContact CH2-CD2 3.74Å; W42-Y45 HydrophobicContact CH2-CD2 3.74Å; W42-Y45 AromaticContact CH2-CE2 3.74Å; W42-Y45 HydrophobicContact CH2-CE2 3.74Å; W42-Y45 HydrophobicContact CZ2-CD2 4.24Å; W42-Y45 HydrophobicContact CZ2-CE2 4.45Å; W42-Y45 AromaticContact CZ3-CD2 3.71Å; W42-Y45 HydrophobicContact CZ3-CD2 3.71Å; W42-Y45 AromaticContact CZ3-CE2 3.97Å; W42-Y45 HydrophobicContact CZ3-CE2 3.97Å; W42-Y45 WeakPolarHBondContact O-CB 3.35Å; W42-Y45 PolarHBondContact O-N 3.02Å; Y45-H47 VanDerWaalsContact C-N 3.33Å; Y45-H47 PolarHBondContact O-N 2.87Å; Y45-Q48 PolarHBondContact O-N 3.25Å; Y45-A49 HydrophobicContact CD1-CB 3.91Å; Y45-A49 HydrophobicContact CE1-CB 3.64Å; Y45-A49 PolarHBondContact O-N 3.36Å; Y45-L76 HydrophobicContact CD2-CB 4.42Å; Y45-L76 HydrophobicContact CD2-CD1 3.91Å; Y45-L76 HydrophobicContact CD2-CD2 4.32Å; Y45-L76 HydrophobicContact CD2-CG 4.47Å; Y45-L76 HydrophobicContact CG-CD1 4.08Å; Y45-L76 WeakPolarHBondContact O-CD1 3.42Å; Y45-L88 HydrophobicContact CD2-CD2 4.4Å; Y45-L88 HydrophobicContact CE2-CD2 3.49Å; Y45-L88 VanDerWaalsContact CE2-CD2 3.49Å; Y45-L88 WeakPolarHBondContact OH-CA 3.39Å; Y45-I89 VanDerWaalsContact CE1-O 3.32Å; Y45-I89 WeakPolarHBondContact CE1-O 3.38Å; Y45-I89 PolarHBondContact OH-N 3.47Å; Y45-T228 HydrophobicContact CD1-CG2 4.17Å; Y45-T228 HydrophobicContact CD2-CG2 4.01Å; Y45-T228 HydrophobicContact CG-CG2 3.66Å; Y45-L230 HydrophobicContact CD1-CD2 4.24Å; Y45-L230 HydrophobicContact CE1-CD2 3.76Å
46	R	98.8	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-47.3	-43.9	-177.9	58	-172.7	-163.6	-72.7	-7.3	115.1	Y43 N44 A49 D50 H149 Y229 D232 S311	Y43-R46 PolarHBondContact O-NH1 3.31Å; N44-R46 PolarHBondContact O-N 2.99Å; N44-R46 VanDerWaalsContact O-N 3.15Å; N44-R46 PolarHBondContact OD1-NH1 3.07Å; N44-R46 PolarHBondContact OD1-NH2 3.02Å; R46-A49 PolarHBondContact O-N 3.43Å; R46-D50 WeakPolarHBondContact O-CB 3.25Å; R46-D50 VanDerWaalsContact O-CG 3.27Å; R46-D50 PolarHBondContact O-N 2.98Å; R46-H149 PolarHBondContact NH2-CE1 2.91Å; R46-Y229 PolarHBondContact N-O 3.39Å; R46-D232 VanDerWaalsContact CB-OD2 3.31Å; R46-D232 WeakPolarHBondContact CB-OD2 3.5Å; R46-D232 WeakPolarHBondContact CD-OD1 3.34Å; R46-D232 WeakPolarHBondContact CD-OD2 3.08Å; R46-D232 WeakPolarHBondContact CG-OD2 3.11Å; R46-D232 IonicContact NE-OD1 2.68Å; R46-D232 PolarHBondContact NE-OD1 2.95Å; R46-D232 IonicContact NE-OD2 3.88Å; R46-S311 PolarHBondContact NH2-OG 3.17Å; R46-S311 VanDerWaalsContact NH2-OG 3.08Å
47	H	98.9	Very high	98.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-72.4	-37.3	-173.7	-50.5	132.6	0	0	0	112.4	A37 S39 N44 Y45 D50 V51 T147 D148 H149 D232	A37-H47 HydrophobicContact CB-CB 4.41Å; S39-H47 PolarHBondContact OG-ND1 2.92Å; N44-H47 PolarHBondContact O-N 3.44Å; Y45-H47 VanDerWaalsContact C-N 3.33Å; Y45-H47 PolarHBondContact O-N 2.87Å; H47-D50 WeakPolarHBondContact O-CB 3.41Å; H47-V51 PolarHBondContact O-N 3.33Å; H47-V51 VanDerWaalsContact O-N 3.1Å; H47-T147 HydrophobicContact CB-CG2 4.21Å; H47-T147 WeakPolarHBondContact O-CG2 3.27Å; H47-D148 IonicContact CE1-OD1 2.71Å; H47-D148 PolarHBondContact CE1-OD1 2.89Å; H47-D148 IonicContact CG-OD1 3.6Å; H47-D148 IonicContact ND1-OD1 2.7Å; H47-D148 PolarHBondContact ND1-OD1 3.21Å; H47-D148 VanDerWaalsContact ND1-OD1 3.16Å; H47-H149 AromaticContact CE1-CD2 3.93Å; H47-H149 AromaticContact CE1-NE2 3.84Å; H47-D232 IonicContact CD2-OD1 3.96Å; H47-D232 IonicContact CD2-OD2 2.7Å; H47-D232 PolarHBondContact CD2-OD2 3.43Å; H47-D232 IonicContact NE2-OD1 3.59Å; H47-D232 IonicContact NE2-OD2 2.8Å
48	Q	98.9	Very high	98.7	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-76.7	-32.5	174.9	-65.9	-178.8	61.4	0	0	111.6	A37 S39 Y45 D50 V51 C52 M72 D75 L76	A37-Q48 HydrophobicContact CB-CB 4.41Å; A37-Q48 HydrophobicContact CB-CG 3.74Å; S39-Q48 PolarHBondContact O-NE2 2.99Å; Y45-Q48 PolarHBondContact O-N 3.25Å; Q48-D50 VanDerWaalsContact C-N 3.31Å; Q48-V51 PolarHBondContact O-N 2.73Å; Q48-C52 WeakPolarHBondContact O-CB 3.5Å; Q48-C52 PolarHBondContact O-N 3.21Å; Q48-C52 PolarHBondContact O-SG 2.95Å; Q48-M72 HydrophobicContact CG-CB 4.19Å; Q48-D75 PolarHBondContact NE2-OD1 3.44Å; Q48-L76 HydrophobicContact CB-CD1 3.56Å; Q48-L76 HydrophobicContact CG-CD1 4.16Å
49	A	98.9	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-39.6	171.1	0	0	0	0	0	111.7	Y45 R46 C52 H53 N90 L230	Y45-A49 HydrophobicContact CD1-CB 3.91Å; Y45-A49 HydrophobicContact CE1-CB 3.64Å; Y45-A49 PolarHBondContact O-N 3.36Å; R46-A49 PolarHBondContact O-N 3.43Å; A49-C52 WeakPolarHBondContact O-CB 3.37Å; A49-C52 PolarHBondContact O-N 3.22Å; A49-H53 WeakPolarHBondContact O-CB 3.29Å; A49-H53 PolarHBondContact O-N 2.92Å; A49-N90 HydrophobicContact CB-CB 4.23Å; A49-L230 VanDerWaalsContact CB-O 3.32Å; A49-L230 WeakPolarHBondContact CB-O 3.16Å
50	D	98.9	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-49.1	173	-84.6	-0.3	0	0	0	111.8	R46 H47 Q48 C52 H53 A54 N90 Y145 T147 G231 D232 S235 M239	R46-D50 WeakPolarHBondContact O-CB 3.25Å; R46-D50 VanDerWaalsContact O-CG 3.27Å; R46-D50 PolarHBondContact O-N 2.98Å; H47-D50 WeakPolarHBondContact O-CB 3.41Å; Q48-D50 VanDerWaalsContact C-N 3.31Å; D50-C52 VanDerWaalsContact C-N 3.33Å; D50-C52 PolarHBondContact O-N 2.95Å; D50-H53 PolarHBondContact O-N 2.92Å; D50-A54 WeakPolarHBondContact O-CB 3.35Å; D50-A54 PolarHBondContact O-N 2.85Å; D50-N90 PolarHBondContact N-ND2 3.23Å; D50-N90 PolarHBondContact OD1-ND2 3.35Å; D50-Y145 HydrophobicContact CB-CE1 4.5Å; D50-Y145 WeakPolarHBondContact CB-OH 3.19Å; D50-Y145 PolarHBondContact OD2-OH 2.53Å; D50-T147 HydrophobicContact CB-CG2 3.78Å; D50-T147 PolarHBondContact OD2-OG1 3.18Å; D50-T147 VanDerWaalsContact OD2-OG1 3.1Å; D50-G231 WeakPolarHBondContact OD1-CA 3.36Å; D50-D232 PolarHBondContact OD1-N 3.43Å; D50-S235 WeakPolarHBondContact OD2-CB 3.36Å; D50-S235 PolarHBondContact OD2-OG 2.91Å; D50-M239 HydrophobicContact CB-CE 4.15Å; D50-M239 VanDerWaalsContact O-SD 3.35Å
51	V	98.9	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-42.9	175.5	165.3	0	0	0	0	111.9	I35 V36 A37 H47 Q48 H53 A54 Y55 V70 M72 T147	I35-V51 HydrophobicContact CB-CG1 4.28Å; I35-V51 HydrophobicContact CD1-CG1 3.79Å; I35-V51 WeakPolarHBondContact CD1-O 3.45Å; I35-V51 HydrophobicContact CG1-CG1 3.95Å; V36-V51 VanDerWaalsContact C-CG2 3.41Å; A37-V51 HydrophobicContact CB-CB 4.28Å; A37-V51 HydrophobicContact CB-CG2 3.62Å; H47-V51 PolarHBondContact O-N 3.33Å; H47-V51 VanDerWaalsContact O-N 3.1Å; Q48-V51 PolarHBondContact O-N 2.73Å; V51-H53 VanDerWaalsContact C-N 3.3Å; V51-H53 PolarHBondContact O-N 3.21Å; V51-A54 PolarHBondContact O-N 2.69Å; V51-Y55 PolarHBondContact O-N 3.12Å; V51-V70 HydrophobicContact CG1-CG1 3.73Å; V51-M72 HydrophobicContact CG1-CB 4.44Å; V51-T147 HydrophobicContact CG2-CG2 3.64Å
52	C	98.9	Very high	98.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.5	-44.2	176.3	-72.6	0	0	0	0	110.9	Q48 A49 D50 Y55 Q56 V97 V101	Q48-C52 WeakPolarHBondContact O-CB 3.5Å; Q48-C52 PolarHBondContact O-N 3.21Å; Q48-C52 PolarHBondContact O-SG 2.95Å; A49-C52 WeakPolarHBondContact O-CB 3.37Å; A49-C52 PolarHBondContact O-N 3.22Å; D50-C52 VanDerWaalsContact C-N 3.33Å; D50-C52 PolarHBondContact O-N 2.95Å; C52-Y55 WeakPolarHBondContact O-CB 3.4Å; C52-Y55 PolarHBondContact O-N 2.75Å; C52-Q56 WeakPolarHBondContact O-CG 3.27Å; C52-Q56 PolarHBondContact O-N 2.86Å; C52-V97 HydrophobicContact CB-CB 4Å; C52-V97 HydrophobicContact CB-CG2 3.64Å; C52-V97 WeakPolarHBondContact CB-O 3.43Å; C52-V101 HydrophobicContact CB-CG2 3.98Å
53	H	98.9	Very high	98.6	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-66.5	-43.4	177.7	-170.7	-175	0	0	0	112.1	A49 D50 V51 Y55 Q56 I57 N90 V97 M239 D243	A49-H53 WeakPolarHBondContact O-CB 3.29Å; A49-H53 PolarHBondContact O-N 2.92Å; D50-H53 PolarHBondContact O-N 2.92Å; V51-H53 VanDerWaalsContact C-N 3.3Å; V51-H53 PolarHBondContact O-N 3.21Å; H53-Y55 VanDerWaalsContact C-N 3.28Å; H53-Y55 PolarHBondContact O-N 2.76Å; H53-Q56 WeakPolarHBondContact O-CB 3.46Å; H53-Q56 PolarHBondContact O-N 2.81Å; H53-Q56 VanDerWaalsContact O-N 3.07Å; H53-I57 PolarHBondContact O-N 3.24Å; H53-N90 HydrophobicContact CB-CB 3.92Å; H53-N90 PolarHBondContact ND1-OD1 3.06Å; H53-V97 HydrophobicContact CB-CB 4.35Å; H53-V97 HydrophobicContact CB-CG1 4.04Å; H53-M239 HydrophobicContact CB-CE 4.12Å; H53-M239 HydrophobicContact CB-SD 3.64Å; H53-D243 IonicContact CE1-OD2 3.62Å; H53-D243 IonicContact NE2-OD1 2.88Å; H53-D243 IonicContact NE2-OD2 3.87Å; H53-D243 PolarHBondContact NE2-OD2 3.33Å; H53-D243 VanDerWaalsContact NE2-OD2 3.11Å
54	A	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-57.7	-40.8	173.8	0	0	0	0	0	111.9	I35 D50 V51 I57 V58 Y145 W238 M239	I35-A54 HydrophobicContact CG2-CB 4.18Å; D50-A54 WeakPolarHBondContact O-CB 3.35Å; D50-A54 PolarHBondContact O-N 2.85Å; V51-A54 PolarHBondContact O-N 2.69Å; A54-I57 PolarHBondContact O-N 3.49Å; A54-V58 WeakPolarHBondContact O-CG2 3.35Å; A54-V58 PolarHBondContact O-N 2.91Å; A54-V58 VanDerWaalsContact O-N 3.14Å; A54-Y145 HydrophobicContact CB-CD1 3.62Å; A54-Y145 HydrophobicContact CB-CE1 3.77Å; A54-W238 HydrophobicContact CB-CH2 3.88Å; A54-W238 HydrophobicContact CB-CZ2 4.03Å; A54-M239 HydrophobicContact CB-SD 4.07Å; A54-M239 PolarHBondContact N-SD 3.28Å
55	Y	98.9	Very high	98.6	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-58.6	-49.5	172.2	173.9	-97	0	0	0	111.6	V51 C52 H53 I57 V58 H59 D65 I68 V70 G100 V101 L102	V51-Y55 PolarHBondContact O-N 3.12Å; C52-Y55 WeakPolarHBondContact O-CB 3.4Å; C52-Y55 PolarHBondContact O-N 2.75Å; H53-Y55 VanDerWaalsContact C-N 3.28Å; H53-Y55 PolarHBondContact O-N 2.76Å; Y55-I57 VanDerWaalsContact C-N 3.25Å; Y55-I57 PolarHBondContact O-N 3.09Å; Y55-V58 WeakPolarHBondContact O-CG2 3.21Å; Y55-V58 PolarHBondContact O-N 3.11Å; Y55-H59 HydrophobicContact CD1-CB 4.45Å; Y55-H59 HydrophobicContact CE1-CB 4.05Å; Y55-H59 HydrophobicContact CE2-CB 4.24Å; Y55-H59 AromaticContact CZ-CG 3.9Å; Y55-H59 AromaticContact CZ-ND1 3.74Å; Y55-H59 WeakPolarHBondContact O-CB 3.42Å; Y55-H59 PolarHBondContact O-N 2.78Å; Y55-H59 PolarHBondContact OH-ND1 2.85Å; Y55-H59 VanDerWaalsContact OH-ND1 3.12Å; Y55-D65 PolarHBondContact OH-OD1 2.97Å; Y55-I68 HydrophobicContact CD2-CD1 4.4Å; Y55-I68 HydrophobicContact CD2-CG2 4.16Å; Y55-I68 HydrophobicContact CE2-CD1 4.1Å; Y55-V70 HydrophobicContact CD2-CG2 4.02Å; Y55-G100 WeakPolarHBondContact CE1-O 2.92Å; Y55-G100 PolarHBondContact OH-O 3.09Å; Y55-V101 HydrophobicContact CD1-CB 4.05Å; Y55-V101 HydrophobicContact CD1-CG1 4.43Å; Y55-V101 HydrophobicContact CD1-CG2 3.55Å; Y55-V101 HydrophobicContact CE1-CB 4.48Å; Y55-V101 HydrophobicContact CE1-CG2 4.27Å; Y55-V101 HydrophobicContact CG-CB 4.36Å; Y55-V101 HydrophobicContact CG-CG1 4.24Å; Y55-V101 HydrophobicContact CG-CG2 4.07Å; Y55-L102 HydrophobicContact CD2-CD1 4.45Å; Y55-L102 HydrophobicContact CD2-CG 4.39Å; Y55-L102 HydrophobicContact CE2-CB 4.48Å; Y55-L102 HydrophobicContact CE2-CD1 3.78Å; Y55-L102 HydrophobicContact CE2-CG 3.62Å
56	Q	98.9	Very high	98.6	Very high	47 Å²	47	25 Å²	25	22%	0.22	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-40.7	180	-63.2	-53.2	-33.6	0	0	111.7	C52 H53 R60 V97 K99	C52-Q56 WeakPolarHBondContact O-CG 3.27Å; C52-Q56 PolarHBondContact O-N 2.86Å; H53-Q56 WeakPolarHBondContact O-CB 3.46Å; H53-Q56 PolarHBondContact O-N 2.81Å; H53-Q56 VanDerWaalsContact O-N 3.07Å; Q56-R60 WeakPolarHBondContact O-CB 3.46Å; Q56-R60 PolarHBondContact O-N 3.03Å; Q56-V97 HydrophobicContact CG-CB 4.17Å; Q56-V97 HydrophobicContact CG-CG1 4.46Å; Q56-V97 PolarHBondContact NE2-O 2.91Å; Q56-K99 PolarHBondContact NE2-O 2.95Å
57	I	98.8	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.1	-57.1	177.5	-69.1	165.2	0	0	0	110.3	H53 A54 Y55 H59 R60 N61 W238 M239	H53-I57 PolarHBondContact O-N 3.24Å; A54-I57 PolarHBondContact O-N 3.49Å; Y55-I57 VanDerWaalsContact C-N 3.25Å; Y55-I57 PolarHBondContact O-N 3.09Å; I57-H59 VanDerWaalsContact C-N 3.33Å; I57-H59 PolarHBondContact O-N 3.07Å; I57-R60 PolarHBondContact O-N 2.73Å; I57-N61 WeakPolarHBondContact CG2-ND2 3.47Å; I57-N61 VanDerWaalsContact O-CB 3.26Å; I57-N61 WeakPolarHBondContact O-CB 3.38Å; I57-N61 PolarHBondContact O-N 2.76Å; I57-N61 PolarHBondContact O-ND2 3.19Å; I57-N61 PolarHBondContact O-OD1 3.31Å; I57-W238 HydrophobicContact CD1-CH2 4.46Å; I57-W238 HydrophobicContact CD1-CZ3 4.18Å; I57-M239 HydrophobicContact CD1-CB 3.58Å; I57-M239 HydrophobicContact CD1-CG 3.71Å; I57-M239 HydrophobicContact CD1-SD 4.45Å
58	V	98.7	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-35.6	-174.4	-60.8	0	0	0	0	112.5	V33 A54 Y55 N61 G62 I63 I68 Q285	V33-V58 HydrophobicContact CG1-CG1 4.3Å; V33-V58 HydrophobicContact CG1-CG2 4.28Å; V33-V58 HydrophobicContact CG2-CB 4.21Å; V33-V58 HydrophobicContact CG2-CG1 4.02Å; V33-V58 HydrophobicContact CG2-CG2 4.43Å; A54-V58 WeakPolarHBondContact O-CG2 3.35Å; A54-V58 PolarHBondContact O-N 2.91Å; A54-V58 VanDerWaalsContact O-N 3.14Å; Y55-V58 WeakPolarHBondContact O-CG2 3.21Å; Y55-V58 PolarHBondContact O-N 3.11Å; V58-N61 PolarHBondContact O-N 3.14Å; V58-G62 PolarHBondContact O-N 3.43Å; V58-I63 HydrophobicContact CB-CB 4.47Å; V58-I63 HydrophobicContact CB-CD1 4.16Å; V58-I63 HydrophobicContact CG1-CD1 4.48Å; V58-I63 WeakPolarHBondContact O-CB 3.46Å; V58-I63 PolarHBondContact O-N 3.33Å; V58-I68 HydrophobicContact CG2-CD1 3.73Å; V58-I68 HydrophobicContact CG2-CG1 4.24Å; V58-I68 HydrophobicContact CG2-CG2 4.49Å; V58-Q285 HydrophobicContact CG1-CB 4.48Å
59	H	98.3	Very high	98.6	Very high	82 Å²	82	25.8 Å²	25.8	38%	0.38	13%	0.126	S	C	.	.	H	α-helix	trans	-67.4	-50	176.7	-176.3	85.7	0	0	0	110.9	Y55 I57 N61 G62 D65	Y55-H59 HydrophobicContact CD1-CB 4.45Å; Y55-H59 HydrophobicContact CE1-CB 4.05Å; Y55-H59 HydrophobicContact CE2-CB 4.24Å; Y55-H59 AromaticContact CZ-CG 3.9Å; Y55-H59 AromaticContact CZ-ND1 3.74Å; Y55-H59 WeakPolarHBondContact O-CB 3.42Å; Y55-H59 PolarHBondContact O-N 2.78Å; Y55-H59 PolarHBondContact OH-ND1 2.85Å; Y55-H59 VanDerWaalsContact OH-ND1 3.12Å; I57-H59 VanDerWaalsContact C-N 3.33Å; I57-H59 PolarHBondContact O-N 3.07Å; H59-N61 PolarHBondContact O-N 3.46Å; H59-G62 PolarHBondContact O-N 3.23Å; H59-D65 IonicContact CE1-OD1 3.17Å; H59-D65 IonicContact CE1-OD2 3.1Å; H59-D65 IonicContact ND1-OD1 3.65Å; H59-D65 PolarHBondContact ND1-OD1 3.02Å
60	R	97.6	Very high	98.6	Very high	135 Å²	135	25.8 Å²	25.8	51%	0.509	13%	0.126	S	C	.	.	H	α-helix	trans	-58.9	-34.5	175.9	-177.4	-177.9	67.9	-153.9	-5.5	111.9	Q56 I57 G62 D243	Q56-R60 WeakPolarHBondContact O-CB 3.46Å; Q56-R60 PolarHBondContact O-N 3.03Å; I57-R60 PolarHBondContact O-N 2.73Å; R60-G62 PolarHBondContact O-N 3.29Å; R60-D243 IonicContact CZ-OD1 3.54Å; R60-D243 IonicContact NH1-OD1 3.29Å; R60-D243 PolarHBondContact NH1-OD1 3.05Å; R60-D243 IonicContact NH2-OD1 2.74Å; R60-D243 PolarHBondContact NH2-OD1 2.96Å
61	N	97.8	Very high	98.6	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.027	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	2.8	179.7	-63	-14.9	0	0	0	113.5	I57 V58 H59 L247 I282 Q285 G286 N287 Y291	I57-N61 WeakPolarHBondContact CG2-ND2 3.47Å; I57-N61 VanDerWaalsContact O-CB 3.26Å; I57-N61 WeakPolarHBondContact O-CB 3.38Å; I57-N61 PolarHBondContact O-N 2.76Å; I57-N61 PolarHBondContact O-ND2 3.19Å; I57-N61 PolarHBondContact O-OD1 3.31Å; V58-N61 PolarHBondContact O-N 3.14Å; H59-N61 PolarHBondContact O-N 3.46Å; N61-L247 WeakPolarHBondContact ND2-CD1 3.47Å; N61-I282 HydrophobicContact CB-CD1 4.36Å; N61-Q285 VanDerWaalsContact CB-O 3.24Å; N61-Q285 WeakPolarHBondContact CB-O 3.26Å; N61-Q285 PolarHBondContact ND2-O 3.31Å; N61-G286 VanDerWaalsContact CB-CA 3.5Å; N61-N287 PolarHBondContact O-N 2.69Å; N61-Y291 HydrophobicContact CB-CD2 3.93Å; N61-Y291 HydrophobicContact CB-CE2 4.3Å; N61-Y291 WeakPolarHBondContact OD1-CE2 3.04Å
62	G	97.6	Very high	98.6	Very high	23 Å²	23	25.9 Å²	25.9	24%	0.237	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	17.9	167.3	0	0	0	0	0	115.7	V58 H59 R60 N287	V58-G62 PolarHBondContact O-N 3.43Å; H59-G62 PolarHBondContact O-N 3.23Å; R60-G62 PolarHBondContact O-N 3.29Å; G62-N287 VanDerWaalsContact O-CB 3.23Å; G62-N287 WeakPolarHBondContact O-CB 3.22Å
63	I	98.4	Very high	98.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.136	C	C	.	.			trans	-74.6	122	164.6	-58.7	-172.1	0	0	0	107.5	H31 V33 V58 Q67 I68	H31-I63 HydrophobicContact CB-CD1 4.01Å; H31-I63 HydrophobicContact CB-CG1 4.48Å; H31-I63 WeakPolarHBondContact O-CG2 3.47Å; V33-I63 HydrophobicContact CG2-CD1 3.45Å; V33-I63 VanDerWaalsContact CG2-CD1 3.45Å; V33-I63 HydrophobicContact CG2-CG2 4.27Å; V58-I63 HydrophobicContact CB-CB 4.47Å; V58-I63 HydrophobicContact CB-CD1 4.16Å; V58-I63 HydrophobicContact CG1-CD1 4.48Å; V58-I63 WeakPolarHBondContact O-CB 3.46Å; V58-I63 PolarHBondContact O-N 3.33Å; I63-Q67 HydrophobicContact CG2-CB 3.94Å; I63-I68 HydrophobicContact CB-CD1 4.21Å; I63-I68 HydrophobicContact CB-CG1 4.3Å; I63-I68 HydrophobicContact CG2-CD1 4.03Å; I63-I68 HydrophobicContact CG2-CG1 3.59Å; I63-I68 WeakPolarHBondContact O-CD1 3.22Å
64	P	98.3	Very high	98.6	Very high	38 Å²	38	29.8 Å²	29.8	25%	0.247	14%	0.144	C	C	.	.			trans	-75.4	150.8	-178	34.6	-37.9	0	0	0	111.1	E66 Q67	P64-E66 HydrophobicContact CB-CG 4.36Å; P64-E66 WeakPolarHBondContact CB-OE1 3.08Å; P64-E66 HydrophobicContact CG-CG 4.24Å; P64-E66 PolarHBondContact O-N 3.28Å; P64-E66 VanDerWaalsContact O-N 3.12Å; P64-Q67 HydrophobicContact CG-CB 4.24Å; P64-Q67 HydrophobicContact CG-CG 4.13Å; P64-Q67 WeakPolarHBondContact O-CA 3.39Å; P64-Q67 WeakPolarHBondContact O-CB 3.36Å; P64-Q67 PolarHBondContact O-N 3.39Å
65	D	98.8	Very high	98.6	Very high	50 Å²	50	31.9 Å²	31.9	27%	0.267	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-60.2	-26.2	-173.9	-71	-19.6	0	0	0	113.8	Y55 H59 Q67 I68 L102 K132	Y55-D65 PolarHBondContact OH-OD1 2.97Å; H59-D65 IonicContact CE1-OD1 3.17Å; H59-D65 IonicContact CE1-OD2 3.1Å; H59-D65 IonicContact ND1-OD1 3.65Å; H59-D65 PolarHBondContact ND1-OD1 3.02Å; D65-Q67 PolarHBondContact O-N 2.88Å; D65-I68 PolarHBondContact O-N 3.34Å; D65-L102 HydrophobicContact CB-CD1 3.88Å; D65-L102 HydrophobicContact CB-CD2 3.89Å; D65-L102 HydrophobicContact CB-CG 4.4Å; D65-K132 PolarHBondContact O-NZ 3.33Å
66	E	98.6	Very high	98.6	Very high	128 Å²	128	31.7 Å²	31.7	60%	0.598	15%	0.154	S	C	*	.	G	3₁₀ helix	trans	-65.9	-14.7	172.3	62.7	-95.7	-155.4	0	0	114.2	W32 P64	W32-E66 WeakPolarHBondContact CZ3-O 3.42Å; P64-E66 HydrophobicContact CB-CG 4.36Å; P64-E66 WeakPolarHBondContact CB-OE1 3.08Å; P64-E66 HydrophobicContact CG-CG 4.24Å; P64-E66 PolarHBondContact O-N 3.28Å; P64-E66 VanDerWaalsContact O-N 3.12Å
67	Q	98.8	Very high	98.5	Very high	19 Å²	19	29.5 Å²	29.5	9%	0.089	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-107.1	3.3	176.8	-72.6	171.1	-156	0	0	113	H31 W32 V33 I63 P64 D65	H31-Q67 PolarHBondContact O-NE2 3.05Å; W32-Q67 CarbonylContact C-O 3.55Å; W32-Q67 WeakPolarHBondContact CA-O 3.46Å; W32-Q67 HydrophobicContact CD2-CB 4.19Å; W32-Q67 HydrophobicContact CD2-CG 4.06Å; W32-Q67 HydrophobicContact CE3-CB 4.1Å; W32-Q67 HydrophobicContact CE3-CG 4.19Å; W32-Q67 HydrophobicContact CH2-CG 4.19Å; W32-Q67 HydrophobicContact CZ2-CG 4.1Å; W32-Q67 HydrophobicContact CZ3-CB 4.43Å; W32-Q67 HydrophobicContact CZ3-CG 4.26Å; V33-Q67 PolarHBondContact N-O 2.85Å; I63-Q67 HydrophobicContact CG2-CB 3.94Å; P64-Q67 HydrophobicContact CG-CB 4.24Å; P64-Q67 HydrophobicContact CG-CG 4.13Å; P64-Q67 WeakPolarHBondContact O-CA 3.39Å; P64-Q67 WeakPolarHBondContact O-CB 3.36Å; P64-Q67 PolarHBondContact O-N 3.39Å; D65-Q67 PolarHBondContact O-N 2.88Å
68	I	98.9	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.2	177.5	-53.1	165.6	0	0	0	108.5	V33 Y55 V58 I63 D65 V70 L102 K132	V33-I68 HydrophobicContact CB-CG1 4.24Å; V33-I68 HydrophobicContact CB-CG2 4.24Å; V33-I68 HydrophobicContact CG1-CG2 4.28Å; V33-I68 CarbonylContact O-C 2.92Å; V33-I68 WeakPolarHBondContact O-CA 3.23Å; Y55-I68 HydrophobicContact CD2-CD1 4.4Å; Y55-I68 HydrophobicContact CD2-CG2 4.16Å; Y55-I68 HydrophobicContact CE2-CD1 4.1Å; V58-I68 HydrophobicContact CG2-CD1 3.73Å; V58-I68 HydrophobicContact CG2-CG1 4.24Å; V58-I68 HydrophobicContact CG2-CG2 4.49Å; I63-I68 HydrophobicContact CB-CD1 4.21Å; I63-I68 HydrophobicContact CB-CG1 4.3Å; I63-I68 HydrophobicContact CG2-CD1 4.03Å; I63-I68 HydrophobicContact CG2-CG1 3.59Å; I63-I68 WeakPolarHBondContact O-CD1 3.22Å; D65-I68 PolarHBondContact O-N 3.34Å; I68-V70 HydrophobicContact CG2-CG2 3.91Å; I68-L102 HydrophobicContact CB-CD1 3.87Å; I68-L102 HydrophobicContact CG2-CD1 4.1Å; I68-K132 WeakPolarHBondContact O-CD 3.21Å; I68-K132 PolarHBondContact O-NZ 2.05Å
69	V	98.9	Very high	98.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.5	169.2	-177.6	0	0	0	0	108.6	V33 V34 I35 M71 D104 Y105 V118 K132	V33-V69 PolarHBondContact O-N 2.89Å; V34-V69 WeakPolarHBondContact CA-O 3.17Å; V34-V69 HydrophobicContact CG1-CB 4.45Å; V34-V69 HydrophobicContact CG2-CB 4.4Å; I35-V69 PolarHBondContact N-O 3.37Å; V69-M71 HydrophobicContact CG1-CG 4.46Å; V69-D104 WeakPolarHBondContact CA-OD2 3.35Å; V69-D104 HydrophobicContact CG1-CB 4.11Å; V69-Y105 HydrophobicContact CG1-CD2 3.99Å; V69-Y105 HydrophobicContact CG1-CE2 3.75Å; V69-V118 HydrophobicContact CB-CG1 4.12Å; V69-V118 HydrophobicContact CG1-CG1 3.87Å; V69-V118 HydrophobicContact CG1-CG2 4.16Å; V69-V118 HydrophobicContact CG2-CG1 4.03Å; V69-K132 HydrophobicContact CG2-CD 3.85Å; V69-K132 HydrophobicContact CG2-CG 4.02Å
70	V	98.9	Very high	98.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.6	178.5	-176.7	0	0	0	0	110.9	I35 V51 Y55 I68 M72 V101 L102 D104 Y105	I35-V70 HydrophobicContact CD1-CB 4.38Å; I35-V70 HydrophobicContact CD1-CG1 4.19Å; I35-V70 HydrophobicContact CD1-CG2 3.6Å; I35-V70 HydrophobicContact CG1-CB 4.11Å; I35-V70 HydrophobicContact CG1-CG1 4.1Å; I35-V70 HydrophobicContact CG1-CG2 3.65Å; V51-V70 HydrophobicContact CG1-CG1 3.73Å; Y55-V70 HydrophobicContact CD2-CG2 4.02Å; I68-V70 HydrophobicContact CG2-CG2 3.91Å; V70-M72 HydrophobicContact CG1-CG 4.33Å; V70-M72 HydrophobicContact CG1-SD 4.39Å; V70-V101 HydrophobicContact CG1-CG1 3.96Å; V70-L102 HydrophobicContact CB-CB 4.03Å; V70-L102 WeakPolarHBondContact CB-O 3.33Å; V70-L102 WeakPolarHBondContact CG1-O 3.23Å; V70-L102 HydrophobicContact CG2-CB 3.7Å; V70-L102 HydrophobicContact CG2-CD1 4.24Å; V70-L102 HydrophobicContact CG2-CG 4.39Å; V70-D104 PolarHBondContact N-OD2 3.37Å; V70-D104 WeakPolarHBondContact O-CB 3.48Å; V70-D104 PolarHBondContact O-N 3.29Å; V70-Y105 PolarHBondContact O-N 2.89Å; V70-Y105 VanDerWaalsContact O-N 3.09Å
71	M	98.9	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.7	173.9	-50.8	-175	65.7	0	0	109.3	I35 V36 A37 V69 Y105 V110 N114 F115 F157	I35-M71 PolarHBondContact O-N 3.1Å; V36-M71 CarbonylContact C-O 3.57Å; V36-M71 WeakPolarHBondContact CA-O 3.26Å; V36-M71 HydrophobicContact CB-CB 4.39Å; V36-M71 HydrophobicContact CG1-CB 4.11Å; V36-M71 HydrophobicContact CG2-CB 4.1Å; V36-M71 HydrophobicContact CG2-CG 4.19Å; V36-M71 HydrophobicContact CG2-SD 4.03Å; A37-M71 PolarHBondContact N-O 3.44Å; V69-M71 HydrophobicContact CG1-CG 4.46Å; M71-Y105 WeakPolarHBondContact CA-O 3.47Å; M71-Y105 HydrophobicContact CE-CD2 4.31Å; M71-Y105 HydrophobicContact CE-CG 4.03Å; M71-Y105 HydrophobicContact CG-CD2 3.78Å; M71-Y105 HydrophobicContact CG-CG 4.2Å; M71-Y105 HydrophobicContact SD-CD2 4.31Å; M71-V110 HydrophobicContact CB-CG1 4.31Å; M71-N114 HydrophobicContact CE-CB 3.92Å; M71-F115 HydrophobicContact CE-CB 4.11Å; M71-F115 HydrophobicContact SD-CB 3.85Å; M71-F115 HydrophobicContact SD-CD2 4.09Å; M71-F115 HydrophobicContact SD-CG 4.47Å; M71-F157 HydrophobicContact CE-CE1 4.48Å
72	M	98.9	Very high	98.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.209	C	C	.	.			trans	-152.6	144.7	177.1	65.4	179.6	-176.5	0	0	109.7	A37 Q48 V51 V70 D74 Y98 V101 K103 Y105 V106	A37-M72 HydrophobicContact CB-CB 4.15Å; Q48-M72 HydrophobicContact CG-CB 4.19Å; V51-M72 HydrophobicContact CG1-CB 4.44Å; V70-M72 HydrophobicContact CG1-CG 4.33Å; V70-M72 HydrophobicContact CG1-SD 4.39Å; M72-D74 HydrophobicContact CE-CB 4.47Å; M72-D74 PolarHBondContact O-N 2.95Å; M72-Y98 HydrophobicContact CE-CD2 4.38Å; M72-Y98 HydrophobicContact CE-CE2 3.78Å; M72-V101 HydrophobicContact CE-CB 4.32Å; M72-V101 HydrophobicContact CE-CG1 3.69Å; M72-V101 HydrophobicContact SD-CG1 4.01Å; M72-K103 HydrophobicContact CE-CG 4.38Å; M72-Y105 PolarHBondContact N-O 2.89Å; M72-Y105 VanDerWaalsContact N-O 3.11Å; M72-V106 VanDerWaalsContact O-CA 3.24Å; M72-V106 WeakPolarHBondContact O-CA 3.23Å; M72-V106 WeakPolarHBondContact O-CG1 3.37Å
73	Y	98.8	Very high	98.6	Very high	54 Å²	54	42.2 Å²	42.2	21%	0.212	22%	0.219	C	C	.	.			trans	-64.1	-26.6	-172.6	-157.6	-98	0	0	0	113.6	N40 D75 G107 D108 P158	N40-Y73 HydrophobicContact CB-CD1 3.4Å; N40-Y73 HydrophobicContact CB-CD2 4.03Å; N40-Y73 HydrophobicContact CB-CE1 4.01Å; N40-Y73 HydrophobicContact CB-CG 3.42Å; N40-Y73 VanDerWaalsContact CB-CG 3.42Å; Y73-D75 HydrophobicContact CD1-CB 3.83Å; Y73-D75 HydrophobicContact CE1-CB 4.38Å; Y73-G107 VanDerWaalsContact CD2-C 3.48Å; Y73-G107 WeakPolarHBondContact CD2-O 3.43Å; Y73-G107 VanDerWaalsContact CE2-O 3.27Å; Y73-G107 WeakPolarHBondContact CE2-O 3.3Å; Y73-G107 PolarHBondContact O-N 2.81Å; Y73-D108 PolarHBondContact OH-OD1 3.42Å; Y73-D108 VanDerWaalsContact OH-OD1 3.05Å; Y73-P158 HydrophobicContact CD2-CB 3.6Å; Y73-P158 HydrophobicContact CD2-CG 3.74Å; Y73-P158 HydrophobicContact CE2-CB 3.9Å; Y73-P158 HydrophobicContact CE2-CG 4.48Å
74	D	98.8	Very high	98.6	Very high	38 Å²	38	44.2 Å²	44.2	20%	0.203	23%	0.231	C	C	.	.			trans	67.7	34.3	174	-162.4	36.8	0	0	0	114.9	M72 Y98 K103 V106	M72-D74 HydrophobicContact CE-CB 4.47Å; M72-D74 PolarHBondContact O-N 2.95Å; D74-Y98 VanDerWaalsContact OD1-CE2 3.24Å; D74-Y98 WeakPolarHBondContact OD1-CE2 3.39Å; D74-Y98 VanDerWaalsContact OD1-CZ 3.29Å; D74-Y98 PolarHBondContact OD1-OH 2.91Å; D74-K103 IonicContact OD1-NZ 4Å; D74-K103 WeakPolarHBondContact OD2-CD 3.41Å; D74-K103 VanDerWaalsContact OD2-CE 3.23Å; D74-K103 WeakPolarHBondContact OD2-CE 3.42Å; D74-K103 IonicContact OD2-NZ 3.53Å; D74-K103 PolarHBondContact OD2-NZ 3.33Å; D74-V106 HydrophobicContact CB-CB 3.98Å; D74-V106 HydrophobicContact CB-CG1 3.82Å
75	D	98.8	Very high	98.6	Very high	43 Å²	43	46.7 Å²	46.7	23%	0.23	25%	0.247	C	C	.	.			trans	-104.3	8.5	-178.5	66.9	-35.9	0	0	0	114.8	G41 Q48 Y73 N79	G41-D75 WeakPolarHBondContact CA-OD2 3.46Å; G41-D75 PolarHBondContact N-OD2 2.67Å; Q48-D75 PolarHBondContact NE2-OD1 3.44Å; Y73-D75 HydrophobicContact CD1-CB 3.83Å; Y73-D75 HydrophobicContact CE1-CB 4.38Å; D75-N79 WeakPolarHBondContact O-CB 3.43Å; D75-N79 PolarHBondContact O-ND2 3.38Å
76	L	98.8	Very high	98.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-100.1	-45	-174.6	-58	-178.9	0	0	0	114.2	W42 Y45 Q48 Q78 N79 N82 L88	W42-L76 HydrophobicContact CE3-CD2 3.88Å; W42-L76 HydrophobicContact CZ3-CB 4.34Å; W42-L76 HydrophobicContact CZ3-CD2 4.31Å; Y45-L76 HydrophobicContact CD2-CB 4.42Å; Y45-L76 HydrophobicContact CD2-CD1 3.91Å; Y45-L76 HydrophobicContact CD2-CD2 4.32Å; Y45-L76 HydrophobicContact CD2-CG 4.47Å; Y45-L76 HydrophobicContact CG-CD1 4.08Å; Y45-L76 WeakPolarHBondContact O-CD1 3.42Å; Q48-L76 HydrophobicContact CB-CD1 3.56Å; Q48-L76 HydrophobicContact CG-CD1 4.16Å; L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.92Å; L76-N79 WeakPolarHBondContact O-CB 3.37Å; L76-N79 PolarHBondContact O-N 2.69Å; L76-N82 PolarHBondContact O-ND2 2.9Å; L76-L88 HydrophobicContact CB-CD1 4.19Å; L76-L88 HydrophobicContact CB-CD2 3.65Å; L76-L88 HydrophobicContact CD1-CD1 4.36Å
77	A	98.4	Very high	98.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-38.2	-168.7	0	0	0	0	0	112.1	N82 G86 L88 Y98	A77-N82 PolarHBondContact O-ND2 3.29Å; A77-N82 VanDerWaalsContact O-ND2 3.07Å; A77-G86 PolarHBondContact O-N 3.12Å; A77-L88 HydrophobicContact CB-CD2 4.45Å; A77-L88 HydrophobicContact CB-CG 4.46Å; A77-Y98 HydrophobicContact CB-CD1 3.68Å; A77-Y98 HydrophobicContact CB-CD2 4.19Å; A77-Y98 HydrophobicContact CB-CE1 3.31Å; A77-Y98 HydrophobicContact CB-CE2 3.85Å; A77-Y98 HydrophobicContact CB-CG 4.1Å
78	Q	98.3	Very high	98.5	Very high	144 Å²	144	41.6 Å²	41.6	67%	0.673	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	15.4	177	-56.7	-58	-35.6	0	0	113	L76	L76-Q78 VanDerWaalsContact C-N 3.28Å; L76-Q78 PolarHBondContact O-N 2.92Å
79	N	98.5	Very high	98.5	Very high	45 Å²	45	42.1 Å²	42.1	24%	0.241	23%	0.232	C	C	.	.			trans	-63.5	142.1	179.2	-160.5	-74.4	0	0	0	110.9	W42 D75 L76 A81 N82	W42-N79 HydrophobicContact CE3-CB 3.69Å; W42-N79 HydrophobicContact CZ3-CB 3.73Å; D75-N79 WeakPolarHBondContact O-CB 3.43Å; D75-N79 PolarHBondContact O-ND2 3.38Å; L76-N79 WeakPolarHBondContact O-CB 3.37Å; L76-N79 PolarHBondContact O-N 2.69Å; N79-A81 PolarHBondContact O-N 3.42Å; N79-A81 WeakPolarHBondContact OD1-CB 3.48Å; N79-A81 PolarHBondContact OD1-N 3.42Å; N79-N82 HydrophobicContact CB-CB 4.37Å; N79-N82 VanDerWaalsContact O-CB 3.27Å; N79-N82 WeakPolarHBondContact O-CB 3.33Å; N79-N82 PolarHBondContact O-N 2.7Å
80	E	98.2	Very high	98.5	Very high	201 Å²	201	42.2 Å²	42.2	94%	0.939	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.9	177.1	-64.1	-174.6	170.3	0	0	112.8	N82	E80-N82 VanDerWaalsContact C-N 3.26Å; E80-N82 PolarHBondContact O-N 3.06Å
81	A	97.4	Very high	98.4	Very high	48 Å²	48	44.4 Å²	44.4	40%	0.397	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.8	174.7	0	0	0	0	0	113.3	W42 N79 P83	W42-A81 HydrophobicContact CD2-CB 3.68Å; W42-A81 HydrophobicContact CE3-CB 4.28Å; W42-A81 HydrophobicContact CG-CB 3.82Å; W42-A81 HydrophobicContact CZ2-CB 4.24Å; W42-A81 WeakPolarHBondContact CZ2-O 3.11Å; N79-A81 PolarHBondContact O-N 3.42Å; N79-A81 WeakPolarHBondContact OD1-CB 3.48Å; N79-A81 PolarHBondContact OD1-N 3.42Å; A81-P83 WeakPolarHBondContact O-CD 3.2Å
82	N	98.5	Very high	98.3	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	25%	0.254	C	S	.	.			trans	-79.3	111.1	-179.3	-168.3	-6.6	0	0	0	111.2	W42 L76 A77 N79 E80 T84 I87	W42-N82 HydrophobicContact CH2-CB 3.44Å; W42-N82 VanDerWaalsContact CH2-CB 3.44Å; W42-N82 HydrophobicContact CZ2-CB 4.38Å; W42-N82 HydrophobicContact CZ3-CB 3.75Å; L76-N82 PolarHBondContact O-ND2 2.9Å; A77-N82 PolarHBondContact O-ND2 3.29Å; A77-N82 VanDerWaalsContact O-ND2 3.07Å; N79-N82 HydrophobicContact CB-CB 4.37Å; N79-N82 VanDerWaalsContact O-CB 3.27Å; N79-N82 WeakPolarHBondContact O-CB 3.33Å; N79-N82 PolarHBondContact O-N 2.7Å; E80-N82 VanDerWaalsContact C-N 3.26Å; E80-N82 PolarHBondContact O-N 3.06Å; N82-T84 PolarHBondContact ND2-O 2.88Å; N82-T84 VanDerWaalsContact ND2-O 3.16Å; N82-T84 PolarHBondContact O-N 2.72Å; N82-T84 PolarHBondContact OD1-N 3.37Å; N82-T84 PolarHBondContact OD1-O 3.16Å; N82-T84 PolarHBondContact OD1-OG1 2.8Å; N82-I87 PolarHBondContact ND2-O 3.42Å; N82-I87 VanDerWaalsContact ND2-O 3.13Å
83	P	98.1	Very high	97.8	Very high	67 Å²	67	54 Å²	54	44%	0.435	30%	0.295	S	S	.	.	S	Bend	trans	-68.8	-13.9	177.8	33	-39.3	0	0	0	112.8	A81 S225 R226	A81-P83 WeakPolarHBondContact O-CD 3.2Å; P83-S225 WeakPolarHBondContact CG-O 3.23Å; P83-R226 HydrophobicContact CG-CG 3.63Å
84	T	98.3	Very high	97.6	Very high	44 Å²	44	52.3 Å²	52.3	27%	0.27	29%	0.294	S	S	.	.	S	Bend	trans	-126.6	76.7	177.8	54.7	0	0	0	0	110.2	N82 G86 I87 R226	N82-T84 PolarHBondContact ND2-O 2.88Å; N82-T84 VanDerWaalsContact ND2-O 3.16Å; N82-T84 PolarHBondContact O-N 2.72Å; N82-T84 PolarHBondContact OD1-N 3.37Å; N82-T84 PolarHBondContact OD1-O 3.16Å; N82-T84 PolarHBondContact OD1-OG1 2.8Å; T84-G86 PolarHBondContact O-N 3.34Å; T84-I87 WeakPolarHBondContact O-CB 3.45Å; T84-I87 PolarHBondContact O-N 3.01Å; T84-R226 PolarHBondContact OG1-NH2 3.03Å
85	P	98.4	Very high	97.5	Very high	91 Å²	91	55.9 Å²	55.9	59%	0.591	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	134.5	-176.6	-27.2	35.4	0	0	0	112.8	I87	P85-I87 VanDerWaalsContact C-N 3.3Å
86	G	98.3	Very high	97.5	Very high	21 Å²	21	56.2 Å²	56.2	22%	0.216	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-0.3	-177.2	0	0	0	0	0	115.3	A77 T84 Y98	A77-G86 PolarHBondContact O-N 3.12Å; T84-G86 PolarHBondContact O-N 3.34Å; G86-Y98 WeakPolarHBondContact O-CD1 3.28Å
87	I	98.7	Very high	97.5	Very high	68 Å²	68	56.6 Å²	56.6	35%	0.349	32%	0.321	S	S	.	.			trans	-119	132.8	-177.8	-61.7	177.2	0	0	0	109.8	N82 T84 P85 I89 D96	N82-I87 PolarHBondContact ND2-O 3.42Å; N82-I87 VanDerWaalsContact ND2-O 3.13Å; T84-I87 WeakPolarHBondContact O-CB 3.45Å; T84-I87 PolarHBondContact O-N 3.01Å; P85-I87 VanDerWaalsContact C-N 3.3Å; I87-I89 HydrophobicContact CG2-CG2 4.15Å; I87-D96 HydrophobicContact CG2-CB 3.89Å
88	L	98.8	Very high	97.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	33%	0.326	C	S	.	.			trans	-119.6	145.5	164.2	-52.3	178.8	0	0	0	110.7	Y45 L76 A77 D96 V97 Y98	Y45-L88 HydrophobicContact CD2-CD2 4.4Å; Y45-L88 HydrophobicContact CE2-CD2 3.49Å; Y45-L88 VanDerWaalsContact CE2-CD2 3.49Å; Y45-L88 WeakPolarHBondContact OH-CA 3.39Å; L76-L88 HydrophobicContact CB-CD1 4.19Å; L76-L88 HydrophobicContact CB-CD2 3.65Å; L76-L88 HydrophobicContact CD1-CD1 4.36Å; A77-L88 HydrophobicContact CB-CD2 4.45Å; A77-L88 HydrophobicContact CB-CG 4.46Å; L88-D96 PolarHBondContact N-OD1 3.35Å; L88-D96 CarbonylContact O-C 3.59Å; L88-D96 VanDerWaalsContact O-CA 3.3Å; L88-D96 WeakPolarHBondContact O-CA 3.45Å; L88-V97 HydrophobicContact CB-CG2 4.24Å; L88-V97 WeakPolarHBondContact O-CG2 3.49Å; L88-V97 PolarHBondContact O-N 2.94Å; L88-Y98 HydrophobicContact CD1-CD2 3.59Å; L88-Y98 HydrophobicContact CD1-CE2 4.32Å; L88-Y98 HydrophobicContact CD1-CG 4.09Å; L88-Y98 HydrophobicContact CG-CD2 4.07Å; L88-Y98 HydrophobicContact CG-CG 4.05Å
89	I	98.6	Very high	97.5	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.051	33%	0.328	C	S	.	.			trans	-128.5	143.8	177.1	62.1	172.9	0	0	0	109.1	Y45 I87 G94 L230	Y45-I89 VanDerWaalsContact CE1-O 3.32Å; Y45-I89 WeakPolarHBondContact CE1-O 3.38Å; Y45-I89 PolarHBondContact OH-N 3.47Å; I87-I89 HydrophobicContact CG2-CG2 4.15Å; I89-G94 WeakPolarHBondContact CG2-O 3.47Å; I89-L230 HydrophobicContact CD1-CD1 3.73Å; I89-L230 HydrophobicContact CD1-CD2 4.23Å; I89-L230 HydrophobicContact CG1-CD1 3.92Å; I89-L230 HydrophobicContact CG1-CD2 3.86Å; I89-L230 HydrophobicContact CG1-CG 4.45Å
90	N	98.6	Very high	97.5	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.011	34%	0.343	C	S	.	.	S	Bend	trans	-109.9	5.4	-179.3	-173.6	-123.4	0	0	0	113.5	A49 D50 H53 V97 L230 G231 M239	A49-N90 HydrophobicContact CB-CB 4.23Å; D50-N90 PolarHBondContact N-ND2 3.23Å; D50-N90 PolarHBondContact OD1-ND2 3.35Å; H53-N90 HydrophobicContact CB-CB 3.92Å; H53-N90 PolarHBondContact ND1-OD1 3.06Å; N90-V97 HydrophobicContact CB-CG1 4.42Å; N90-V97 HydrophobicContact CB-CG2 4.27Å; N90-L230 PolarHBondContact ND2-O 3.07Å; N90-G231 WeakPolarHBondContact ND2-CA 3.39Å; N90-M239 WeakPolarHBondContact OD1-CE 3.46Å
91	K	96.7	Very high	97.5	Very high	47 Å²	47	50.1 Å²	50.1	20%	0.204	30%	0.302	C	S	.	.	S	Bend	trans	-154.4	159.7	172.9	67.8	-171.2	179.7	-166.9	0	111.4	N93 G94 Y221 E240 I303	K91-N93 PolarHBondContact O-N 3.11Å; K91-G94 WeakPolarHBondContact O-CA 3.46Å; K91-G94 PolarHBondContact O-N 2.96Å; K91-Y221 HydrophobicContact CB-CD2 4.12Å; K91-Y221 HydrophobicContact CB-CE2 4.01Å; K91-E240 HydrophobicContact CD-CG 4.46Å; K91-E240 VanDerWaalsContact CD-OE1 3.29Å; K91-E240 WeakPolarHBondContact CD-OE1 3.35Å; K91-I303 HydrophobicContact CB-CD1 4.42Å
92	P	95.9	Very high	97.6	Very high	38 Å²	38	49.2 Å²	49.2	25%	0.247	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	130.1	-180	-25	36.1	0	0	0	111.3	G94 Y221 I303	P92-G94 PolarHBondContact O-N 2.89Å; P92-G94 VanDerWaalsContact O-N 3.08Å; P92-Y221 HydrophobicContact CG-CD1 3.93Å; P92-Y221 HydrophobicContact CG-CG 3.98Å; P92-I303 HydrophobicContact CG-CD1 4.48Å; P92-I303 HydrophobicContact CG-CG2 4.07Å
93	N	90.2	Very high	97.6	Very high	163 Å²	163	53.9 Å²	53.9	87%	0.872	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	24.4	-174.7	-53.6	-56	0	0	0	114	K91	K91-N93 PolarHBondContact O-N 3.11Å
94	G	93.3	Very high	97.6	Very high	19 Å²	19	51.1 Å²	51.1	20%	0.196	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-69.1	165.1	177.8	0	0	0	0	0	112.9	I89 K91 P92	I89-G94 WeakPolarHBondContact CG2-O 3.47Å; K91-G94 WeakPolarHBondContact O-CA 3.46Å; K91-G94 PolarHBondContact O-N 2.96Å; P92-G94 PolarHBondContact O-N 2.89Å; P92-G94 VanDerWaalsContact O-N 3.08Å
95	T	96.2	Very high	97.7	Very high	114 Å²	114	49 Å²	49	70%	0.699	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-72	159.8	170.7	51.9	0	0	0	0	111	V97	T95-V97 PolarHBondContact O-N 3.14Å
96	D	98.6	Very high	97.7	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-60.3	120.2	170.5	-179.9	21.7	0	0	0	110.7	I87 L88 Y98 K99	I87-D96 HydrophobicContact CG2-CB 3.89Å; L88-D96 PolarHBondContact N-OD1 3.35Å; L88-D96 CarbonylContact O-C 3.59Å; L88-D96 VanDerWaalsContact O-CA 3.3Å; L88-D96 WeakPolarHBondContact O-CA 3.45Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.21Å; D96-Y98 PolarHBondContact OD1-N 3.11Å; D96-K99 WeakPolarHBondContact OD2-CB 3.39Å
97	V	98.8	Very high	97.7	Very high	7 Å²	7	46.6 Å²	46.6	4%	0.042	26%	0.261	C	S	.	.	S	Bend	trans	-98.2	-10.3	176.1	-64.3	0	0	0	0	112.7	C52 H53 Q56 L88 N90 T95 V101	C52-V97 HydrophobicContact CB-CB 4Å; C52-V97 HydrophobicContact CB-CG2 3.64Å; C52-V97 WeakPolarHBondContact CB-O 3.43Å; H53-V97 HydrophobicContact CB-CB 4.35Å; H53-V97 HydrophobicContact CB-CG1 4.04Å; Q56-V97 HydrophobicContact CG-CB 4.17Å; Q56-V97 HydrophobicContact CG-CG1 4.46Å; Q56-V97 PolarHBondContact NE2-O 2.91Å; L88-V97 HydrophobicContact CB-CG2 4.24Å; L88-V97 WeakPolarHBondContact O-CG2 3.49Å; L88-V97 PolarHBondContact O-N 2.94Å; N90-V97 HydrophobicContact CB-CG1 4.42Å; N90-V97 HydrophobicContact CB-CG2 4.27Å; T95-V97 PolarHBondContact O-N 3.14Å; V97-V101 WeakPolarHBondContact O-CG2 3.42Å
98	Y	98.9	Very high	97.7	Very high	28 Å²	28	48.5 Å²	48.5	11%	0.11	27%	0.272	C	S	.	.			trans	-82.3	-30.6	-175.6	-176.9	-111.2	0	0	0	113.5	M72 D74 A77 G86 L88 D96 G100 V101 K103	M72-Y98 HydrophobicContact CE-CD2 4.38Å; M72-Y98 HydrophobicContact CE-CE2 3.78Å; D74-Y98 VanDerWaalsContact OD1-CE2 3.24Å; D74-Y98 WeakPolarHBondContact OD1-CE2 3.39Å; D74-Y98 VanDerWaalsContact OD1-CZ 3.29Å; D74-Y98 PolarHBondContact OD1-OH 2.91Å; A77-Y98 HydrophobicContact CB-CD1 3.68Å; A77-Y98 HydrophobicContact CB-CD2 4.19Å; A77-Y98 HydrophobicContact CB-CE1 3.31Å; A77-Y98 HydrophobicContact CB-CE2 3.85Å; A77-Y98 HydrophobicContact CB-CG 4.1Å; G86-Y98 WeakPolarHBondContact O-CD1 3.28Å; L88-Y98 HydrophobicContact CD1-CD2 3.59Å; L88-Y98 HydrophobicContact CD1-CE2 4.32Å; L88-Y98 HydrophobicContact CD1-CG 4.09Å; L88-Y98 HydrophobicContact CG-CD2 4.07Å; L88-Y98 HydrophobicContact CG-CG 4.05Å; D96-Y98 WeakPolarHBondContact OD1-CB 3.21Å; D96-Y98 PolarHBondContact OD1-N 3.11Å; Y98-G100 PolarHBondContact O-N 2.69Å; Y98-V101 WeakPolarHBondContact O-CB 3.5Å; Y98-V101 VanDerWaalsContact O-CG2 3.22Å; Y98-V101 WeakPolarHBondContact O-CG2 3.41Å; Y98-V101 PolarHBondContact O-N 3.42Å; Y98-V101 VanDerWaalsContact O-N 3.13Å; Y98-K103 WeakPolarHBondContact OH-CE 3.39Å; Y98-K103 PolarHBondContact OH-NZ 3.33Å
99	K	98.6	Very high	97.7	Very high	162 Å²	162	50.8 Å²	50.8	70%	0.704	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	123.9	-176.2	-177.2	176.9	-178.7	-178.4	0	112.3	Q56 D96 V101	Q56-K99 PolarHBondContact NE2-O 2.95Å; D96-K99 WeakPolarHBondContact OD2-CB 3.39Å; K99-V101 PolarHBondContact O-N 3.47Å
100	G	98.5	Very high	97.7	Very high	55 Å²	55	50.5 Å²	50.5	57%	0.567	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-5.2	175.5	0	0	0	0	0	114.7	Y55 Y98 L102	Y55-G100 WeakPolarHBondContact CE1-O 2.92Å; Y55-G100 PolarHBondContact OH-O 3.09Å; Y98-G100 PolarHBondContact O-N 2.69Å; G100-L102 PolarHBondContact O-N 3.45Å
101	V	98.8	Very high	97.7	Very high	11 Å²	11	52 Å²	52	7%	0.067	29%	0.292	C	S	.	.			trans	-57	132.7	177.8	178.6	0	0	0	0	110.1	C52 Y55 V70 M72 V97 Y98 K99	C52-V101 HydrophobicContact CB-CG2 3.98Å; Y55-V101 HydrophobicContact CD1-CB 4.05Å; Y55-V101 HydrophobicContact CD1-CG1 4.43Å; Y55-V101 HydrophobicContact CD1-CG2 3.55Å; Y55-V101 HydrophobicContact CE1-CB 4.48Å; Y55-V101 HydrophobicContact CE1-CG2 4.27Å; Y55-V101 HydrophobicContact CG-CB 4.36Å; Y55-V101 HydrophobicContact CG-CG1 4.24Å; Y55-V101 HydrophobicContact CG-CG2 4.07Å; V70-V101 HydrophobicContact CG1-CG1 3.96Å; M72-V101 HydrophobicContact CE-CB 4.32Å; M72-V101 HydrophobicContact CE-CG1 3.69Å; M72-V101 HydrophobicContact SD-CG1 4.01Å; V97-V101 WeakPolarHBondContact O-CG2 3.42Å; Y98-V101 WeakPolarHBondContact O-CB 3.5Å; Y98-V101 VanDerWaalsContact O-CG2 3.22Å; Y98-V101 WeakPolarHBondContact O-CG2 3.41Å; Y98-V101 PolarHBondContact O-N 3.42Å; Y98-V101 VanDerWaalsContact O-N 3.13Å; K99-V101 PolarHBondContact O-N 3.47Å
102	L	98.8	Very high	97.8	Very high	29 Å²	29	50 Å²	50	15%	0.152	29%	0.285	C	S	.	.			trans	-66.3	149.8	179.7	-59.4	168.3	0	0	0	111	Y55 D65 I68 V70 G100	Y55-L102 HydrophobicContact CD2-CD1 4.45Å; Y55-L102 HydrophobicContact CD2-CG 4.39Å; Y55-L102 HydrophobicContact CE2-CB 4.48Å; Y55-L102 HydrophobicContact CE2-CD1 3.78Å; Y55-L102 HydrophobicContact CE2-CG 3.62Å; D65-L102 HydrophobicContact CB-CD1 3.88Å; D65-L102 HydrophobicContact CB-CD2 3.89Å; D65-L102 HydrophobicContact CB-CG 4.4Å; I68-L102 HydrophobicContact CB-CD1 3.87Å; I68-L102 HydrophobicContact CG2-CD1 4.1Å; V70-L102 HydrophobicContact CB-CB 4.03Å; V70-L102 WeakPolarHBondContact CB-O 3.33Å; V70-L102 WeakPolarHBondContact CG1-O 3.23Å; V70-L102 HydrophobicContact CG2-CB 3.7Å; V70-L102 HydrophobicContact CG2-CD1 4.24Å; V70-L102 HydrophobicContact CG2-CG 4.39Å; G100-L102 PolarHBondContact O-N 3.45Å
103	K	98.7	Very high	97.9	Very high	105 Å²	105	52.9 Å²	52.9	46%	0.457	29%	0.294	S	S	.	.			trans	-121.1	56.2	179.9	-60.4	-172.9	179.7	-157.3	0	109.4	M72 D74 Y98 V106	M72-K103 HydrophobicContact CE-CG 4.38Å; D74-K103 IonicContact OD1-NZ 4Å; D74-K103 WeakPolarHBondContact OD2-CD 3.41Å; D74-K103 VanDerWaalsContact OD2-CE 3.23Å; D74-K103 WeakPolarHBondContact OD2-CE 3.42Å; D74-K103 IonicContact OD2-NZ 3.53Å; D74-K103 PolarHBondContact OD2-NZ 3.33Å; Y98-K103 WeakPolarHBondContact OH-CE 3.39Å; Y98-K103 PolarHBondContact OH-NZ 3.33Å; K103-V106 HydrophobicContact CB-CG1 3.74Å; K103-V106 HydrophobicContact CG-CG1 4.24Å
104	D	98.9	Very high	98.3	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.043	25%	0.253	C	S	.	.	S	Bend	trans	-69.4	-43.9	-175.8	-71.4	-61.7	0	0	0	111.1	V69 V70 G129 S130 K132	V69-D104 WeakPolarHBondContact CA-OD2 3.35Å; V69-D104 HydrophobicContact CG1-CB 4.11Å; V70-D104 PolarHBondContact N-OD2 3.37Å; V70-D104 WeakPolarHBondContact O-CB 3.48Å; V70-D104 PolarHBondContact O-N 3.29Å; D104-G129 CarbonylContact O-C 3.57Å; D104-G129 WeakPolarHBondContact O-CA 3.35Å; D104-S130 WeakPolarHBondContact CA-OG 3.49Å; D104-S130 WeakPolarHBondContact CB-OG 3.22Å; D104-S130 PolarHBondContact O-N 3.33Å; D104-S130 WeakPolarHBondContact OD1-CB 3.29Å; D104-S130 PolarHBondContact OD1-OG 3.17Å; D104-K132 VanDerWaalsContact CG-NZ 3.34Å; D104-K132 WeakPolarHBondContact OD1-CE 3.33Å; D104-K132 IonicContact OD1-NZ 3.71Å; D104-K132 PolarHBondContact OD1-NZ 3.04Å; D104-K132 IonicContact OD2-NZ 3.11Å; D104-K132 PolarHBondContact OD2-NZ 3.14Å
105	Y	98.9	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-135	122	171.8	-56.9	-92.4	0	0	0	108.6	V69 V70 M71 M72 D109 V110 N114 V118 V126 K132	V69-Y105 HydrophobicContact CG1-CD2 3.99Å; V69-Y105 HydrophobicContact CG1-CE2 3.75Å; V70-Y105 PolarHBondContact O-N 2.89Å; V70-Y105 VanDerWaalsContact O-N 3.09Å; M71-Y105 WeakPolarHBondContact CA-O 3.47Å; M71-Y105 HydrophobicContact CE-CD2 4.31Å; M71-Y105 HydrophobicContact CE-CG 4.03Å; M71-Y105 HydrophobicContact CG-CD2 3.78Å; M71-Y105 HydrophobicContact CG-CG 4.2Å; M71-Y105 HydrophobicContact SD-CD2 4.31Å; M72-Y105 PolarHBondContact N-O 2.89Å; M72-Y105 VanDerWaalsContact N-O 3.11Å; Y105-D109 HydrophobicContact CD1-CB 4.26Å; Y105-V110 WeakPolarHBondContact O-CG2 3.45Å; Y105-N114 HydrophobicContact CD1-CB 4.25Å; Y105-N114 HydrophobicContact CE1-CB 4.37Å; Y105-V118 HydrophobicContact CD2-CG2 4.38Å; Y105-V118 HydrophobicContact CE2-CG2 3.52Å; Y105-V126 HydrophobicContact CE1-CB 4.16Å; Y105-V126 HydrophobicContact CE1-CG1 4.29Å; Y105-V126 WeakPolarHBondContact OH-CG1 3.5Å; Y105-K132 WeakPolarHBondContact CE2-O 3.33Å; Y105-K132 PolarHBondContact OH-N 2.88Å; Y105-K132 PolarHBondContact OH-O 3.14Å
106	V	98.8	Very high	98.7	Very high	44 Å²	44	39.9 Å²	39.9	27%	0.267	22%	0.216	S	C	.	.			trans	-134.2	161.5	-177.3	-59.3	0	0	0	0	111.4	M72 D74 K103 D108 D109	M72-V106 VanDerWaalsContact O-CA 3.24Å; M72-V106 WeakPolarHBondContact O-CA 3.23Å; M72-V106 WeakPolarHBondContact O-CG1 3.37Å; D74-V106 HydrophobicContact CB-CB 3.98Å; D74-V106 HydrophobicContact CB-CG1 3.82Å; K103-V106 HydrophobicContact CB-CG1 3.74Å; K103-V106 HydrophobicContact CG-CG1 4.24Å; V106-D108 PolarHBondContact O-N 2.85Å; V106-D109 WeakPolarHBondContact O-CB 3.41Å; V106-D109 PolarHBondContact O-N 2.82Å; V106-D109 VanDerWaalsContact O-N 3.14Å
107	G	98.5	Very high	98.8	Very high	17 Å²	17	37.6 Å²	37.6	18%	0.175	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	53.1	-131	-176.7	0	0	0	0	0	112.2	Y73 D109 V110	Y73-G107 VanDerWaalsContact CD2-C 3.48Å; Y73-G107 WeakPolarHBondContact CD2-O 3.43Å; Y73-G107 VanDerWaalsContact CE2-O 3.27Å; Y73-G107 WeakPolarHBondContact CE2-O 3.3Å; Y73-G107 PolarHBondContact O-N 2.81Å; G107-D109 PolarHBondContact O-N 2.97Å; G107-D109 VanDerWaalsContact O-N 3.14Å; G107-V110 WeakPolarHBondContact O-CG2 3.24Å; G107-V110 PolarHBondContact O-N 3.34Å; G107-V110 VanDerWaalsContact O-N 3.14Å
108	D	98.3	Very high	98.8	Very high	109 Å²	109	37.2 Å²	37.2	58%	0.583	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-70.3	-7.5	-176.4	-60.7	-25.8	0	0	0	114.1	Y73 V106 V110 T111 N159	Y73-D108 PolarHBondContact OH-OD1 3.42Å; Y73-D108 VanDerWaalsContact OH-OD1 3.05Å; V106-D108 PolarHBondContact O-N 2.85Å; D108-V110 VanDerWaalsContact C-N 3.25Å; D108-T111 WeakPolarHBondContact O-CG2 3.27Å; D108-N159 PolarHBondContact OD1-ND2 2.88Å
109	D	98.7	Very high	98.8	Very high	49 Å²	49	35.9 Å²	35.9	26%	0.262	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-80.1	-7.9	173.5	-61.8	-31.3	0	0	0	112.3	Y105 V106 G107 T111 N114 G129	Y105-D109 HydrophobicContact CD1-CB 4.26Å; V106-D109 WeakPolarHBondContact O-CB 3.41Å; V106-D109 PolarHBondContact O-N 2.82Å; V106-D109 VanDerWaalsContact O-N 3.14Å; G107-D109 PolarHBondContact O-N 2.97Å; G107-D109 VanDerWaalsContact O-N 3.14Å; D109-T111 PolarHBondContact O-N 3.22Å; D109-N114 PolarHBondContact O-ND2 2.59Å; D109-G129 PolarHBondContact OD2-N 3.48Å
110	V	98.8	Very high	98.8	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	18%	0.176	C	C	.	.			trans	-80.8	84.5	173.4	-173.9	0	0	0	0	108.6	M71 Y105 G107 D108 F157 P158	M71-V110 HydrophobicContact CB-CG1 4.31Å; Y105-V110 WeakPolarHBondContact O-CG2 3.45Å; G107-V110 WeakPolarHBondContact O-CG2 3.24Å; G107-V110 PolarHBondContact O-N 3.34Å; G107-V110 VanDerWaalsContact O-N 3.14Å; D108-V110 VanDerWaalsContact C-N 3.25Å; V110-F157 HydrophobicContact CG1-CD1 3.96Å; V110-F157 HydrophobicContact CG1-CE1 4.26Å; V110-P158 HydrophobicContact CB-CG 4.11Å; V110-P158 HydrophobicContact CG1-CG 3.94Å; V110-P158 WeakPolarHBondContact O-CD 3.38Å
111	T	98.9	Very high	98.8	Very high	32 Å²	32	30 Å²	30	20%	0.196	16%	0.163	C	C	.	.			trans	-127.8	156.9	-179	87.7	0	0	0	0	112.8	D108 D109 E113 N114 F115 F157	D108-T111 WeakPolarHBondContact O-CG2 3.27Å; D109-T111 PolarHBondContact O-N 3.22Å; T111-E113 VanDerWaalsContact CB-OE2 3.23Å; T111-E113 WeakPolarHBondContact CB-OE2 3.27Å; T111-E113 PolarHBondContact O-N 3.18Å; T111-E113 PolarHBondContact OG1-N 2.74Å; T111-E113 PolarHBondContact OG1-OE2 2.96Å; T111-N114 PolarHBondContact O-N 2.82Å; T111-N114 PolarHBondContact OG1-N 3.49Å; T111-F115 WeakPolarHBondContact O-CB 3.45Å; T111-F115 PolarHBondContact O-N 3.46Å; T111-F157 VanDerWaalsContact C-CE1 3.45Å; T111-F157 WeakPolarHBondContact O-CE1 3.39Å
112	P	98.8	Very high	98.8	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.045	17%	0.173	C	C	.	.	H	α-helix	trans	-55.3	-40.1	171.8	-24.8	34.8	0	0	0	112.2	F115 L116 F157 D160 L162	P112-F115 PolarHBondContact O-N 2.9Å; P112-L116 WeakPolarHBondContact O-CB 3.4Å; P112-L116 WeakPolarHBondContact O-CG 3.39Å; P112-L116 PolarHBondContact O-N 2.97Å; P112-F157 HydrophobicContact CB-CD2 4.45Å; P112-F157 HydrophobicContact CG-CB 3.98Å; P112-F157 HydrophobicContact CG-CD1 4.35Å; P112-F157 HydrophobicContact CG-CD2 3.77Å; P112-F157 HydrophobicContact CG-CE2 4.34Å; P112-F157 HydrophobicContact CG-CG 3.77Å; P112-D160 HydrophobicContact CG-CB 4.11Å; P112-L162 HydrophobicContact CB-CB 4.09Å; P112-L162 HydrophobicContact CB-CD1 4.31Å; P112-L162 HydrophobicContact CG-CB 4.31Å
113	E	98.8	Very high	98.7	Very high	97 Å²	97	33.4 Å²	33.4	45%	0.453	19%	0.19	S	C	.	.	H	α-helix	trans	-62.3	-47.4	-179.9	-60.8	70.5	-154.1	0	0	111.7	T111 L116 A117	T111-E113 VanDerWaalsContact CB-OE2 3.23Å; T111-E113 WeakPolarHBondContact CB-OE2 3.27Å; T111-E113 PolarHBondContact O-N 3.18Å; T111-E113 PolarHBondContact OG1-N 2.74Å; T111-E113 PolarHBondContact OG1-OE2 2.96Å; E113-L116 PolarHBondContact O-N 2.7Å; E113-A117 VanDerWaalsContact O-CB 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.24Å; E113-A117 PolarHBondContact O-N 3.05Å
114	N	98.9	Very high	98.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-44.1	177.4	-81.2	-10.4	0	0	0	110.7	M71 Y105 D109 T111 L116 A117 V118 V126 K127	M71-N114 HydrophobicContact CE-CB 3.92Å; Y105-N114 HydrophobicContact CD1-CB 4.25Å; Y105-N114 HydrophobicContact CE1-CB 4.37Å; D109-N114 PolarHBondContact O-ND2 2.59Å; T111-N114 PolarHBondContact O-N 2.82Å; T111-N114 PolarHBondContact OG1-N 3.49Å; N114-L116 PolarHBondContact O-N 2.8Å; N114-A117 PolarHBondContact O-N 3.13Å; N114-V118 WeakPolarHBondContact O-CB 3.37Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.3Å; N114-V118 PolarHBondContact O-N 3.01Å; N114-V126 WeakPolarHBondContact OD1-CA 3.16Å; N114-K127 PolarHBondContact ND2-O 2.84Å; N114-K127 PolarHBondContact OD1-N 3.2Å
115	F	98.9	Very high	98.7	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.013	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-47.8	176.5	171.8	-117.8	0	0	0	112.3	V34 V36 M71 T111 P112 A117 V118 L119 V144 F157 L162 L167	V34-F115 HydrophobicContact CG1-CD2 4.14Å; V34-F115 HydrophobicContact CG1-CE2 3.91Å; V36-F115 HydrophobicContact CG2-CD2 3.61Å; V36-F115 HydrophobicContact CG2-CE2 3.69Å; M71-F115 HydrophobicContact CE-CB 4.11Å; M71-F115 HydrophobicContact SD-CB 3.85Å; M71-F115 HydrophobicContact SD-CD2 4.09Å; M71-F115 HydrophobicContact SD-CG 4.47Å; T111-F115 WeakPolarHBondContact O-CB 3.45Å; T111-F115 PolarHBondContact O-N 3.46Å; P112-F115 PolarHBondContact O-N 2.9Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.2Å; F115-V118 WeakPolarHBondContact O-CB 3.32Å; F115-V118 PolarHBondContact O-N 3.4Å; F115-L119 HydrophobicContact CD1-CD1 4.42Å; F115-L119 HydrophobicContact CD2-CG 4.43Å; F115-L119 HydrophobicContact CE1-CD1 3.81Å; F115-L119 HydrophobicContact CE2-CD1 3.95Å; F115-L119 HydrophobicContact CE2-CD2 4.3Å; F115-L119 HydrophobicContact CE2-CG 4.04Å; F115-L119 HydrophobicContact CZ-CD1 3.56Å; F115-L119 HydrophobicContact CZ-CG 4.18Å; F115-L119 WeakPolarHBondContact O-CG 3.17Å; F115-L119 PolarHBondContact O-N 3.36Å; F115-V144 HydrophobicContact CE2-CG1 4.06Å; F115-V144 HydrophobicContact CZ-CG1 4.01Å; F115-F157 HydrophobicContact CB-CE1 3.88Å; F115-F157 HydrophobicContact CB-CZ 3.62Å; F115-F157 HydrophobicContact CD1-CE2 4.45Å; F115-F157 AromaticContact CD1-CZ 3.88Å; F115-F157 HydrophobicContact CD1-CZ 3.88Å; F115-F157 HydrophobicContact CG-CE1 4.49Å; F115-F157 AromaticContact CG-CZ 3.81Å; F115-F157 HydrophobicContact CG-CZ 3.81Å; F115-L162 HydrophobicContact CD1-CD2 3.78Å; F115-L162 HydrophobicContact CE1-CD2 3.63Å; F115-L167 HydrophobicContact CE1-CD1 4.15Å
116	L	98.9	Very high	98.6	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.099	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-35.3	177.9	-62	175.8	0	0	0	111.6	P112 E113 N114 L119 K120 L162 D166 L167 T170	P112-L116 WeakPolarHBondContact O-CB 3.4Å; P112-L116 WeakPolarHBondContact O-CG 3.39Å; P112-L116 PolarHBondContact O-N 2.97Å; E113-L116 PolarHBondContact O-N 2.7Å; N114-L116 PolarHBondContact O-N 2.8Å; L116-L119 PolarHBondContact O-N 3.41Å; L116-K120 WeakPolarHBondContact O-CB 3.48Å; L116-K120 WeakPolarHBondContact O-CE 3.36Å; L116-K120 VanDerWaalsContact O-CG 3.25Å; L116-K120 WeakPolarHBondContact O-CG 3.3Å; L116-K120 PolarHBondContact O-N 3.29Å; L116-L162 HydrophobicContact CD1-CD1 3.82Å; L116-L162 HydrophobicContact CD2-CD1 3.84Å; L116-L162 HydrophobicContact CG-CD1 4.04Å; L116-D166 HydrophobicContact CD1-CB 3.83Å; L116-L167 HydrophobicContact CD2-CD1 4.4Å; L116-T170 HydrophobicContact CD2-CG2 4.02Å; L116-T170 WeakPolarHBondContact CD2-OG1 3.46Å
117	A	98.9	Very high	98.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-40.5	173.8	0	0	0	0	0	112.2	E113 N114 F115 K120 G121 D122 A125 V126	E113-A117 VanDerWaalsContact O-CB 3.27Å; E113-A117 WeakPolarHBondContact O-CB 3.24Å; E113-A117 PolarHBondContact O-N 3.05Å; N114-A117 PolarHBondContact O-N 3.13Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.2Å; A117-K120 CarbonylContact O-C 3.37Å; A117-K120 PolarHBondContact O-N 2.9Å; A117-G121 PolarHBondContact O-N 2.87Å; A117-D122 PolarHBondContact O-N 3.37Å; A117-A125 HydrophobicContact CB-CB 3.88Å; A117-V126 HydrophobicContact CB-CG1 3.64Å
118	V	98.9	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.9	-50.8	172.5	164.2	0	0	0	0	110.8	V34 V69 Y105 N114 F115 K120 G121 V126 V133 L134	V34-V118 HydrophobicContact CG1-CG1 4.05Å; V34-V118 HydrophobicContact CG2-CG1 3.95Å; V69-V118 HydrophobicContact CB-CG1 4.12Å; V69-V118 HydrophobicContact CG1-CG1 3.87Å; V69-V118 HydrophobicContact CG1-CG2 4.16Å; V69-V118 HydrophobicContact CG2-CG1 4.03Å; Y105-V118 HydrophobicContact CD2-CG2 4.38Å; Y105-V118 HydrophobicContact CE2-CG2 3.52Å; N114-V118 WeakPolarHBondContact O-CB 3.37Å; N114-V118 VanDerWaalsContact O-CG2 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.3Å; N114-V118 PolarHBondContact O-N 3.01Å; F115-V118 WeakPolarHBondContact O-CB 3.32Å; F115-V118 PolarHBondContact O-N 3.4Å; V118-K120 VanDerWaalsContact C-N 3.32Å; V118-K120 PolarHBondContact O-N 3.48Å; V118-G121 PolarHBondContact O-N 3.38Å; V118-G121 VanDerWaalsContact O-N 3.11Å; V118-V126 HydrophobicContact CG2-CG1 4.43Å; V118-V133 HydrophobicContact CG2-CG1 4.16Å; V118-L134 HydrophobicContact CG1-CG 4.49Å; V118-L134 WeakPolarHBondContact O-CB 3.23Å; V118-L134 PolarHBondContact O-N 3.39Å
119	L	98.9	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-40.5	178.5	-71.7	-176.5	0	0	0	112.2	V34 F115 L116 G121 L134 V144 L167 T170 M174	V34-L119 HydrophobicContact CG2-CD2 4.14Å; F115-L119 HydrophobicContact CD1-CD1 4.42Å; F115-L119 HydrophobicContact CD2-CG 4.43Å; F115-L119 HydrophobicContact CE1-CD1 3.81Å; F115-L119 HydrophobicContact CE2-CD1 3.95Å; F115-L119 HydrophobicContact CE2-CD2 4.3Å; F115-L119 HydrophobicContact CE2-CG 4.04Å; F115-L119 HydrophobicContact CZ-CD1 3.56Å; F115-L119 HydrophobicContact CZ-CG 4.18Å; F115-L119 WeakPolarHBondContact O-CG 3.17Å; F115-L119 PolarHBondContact O-N 3.36Å; L116-L119 PolarHBondContact O-N 3.41Å; L119-G121 PolarHBondContact O-N 2.7Å; L119-L134 HydrophobicContact CD2-CD1 4.11Å; L119-V144 HydrophobicContact CD2-CG2 3.85Å; L119-L167 HydrophobicContact CD1-CD1 4.21Å; L119-T170 HydrophobicContact CB-CG2 3.73Å; L119-T170 HydrophobicContact CD1-CG2 4.04Å; L119-M174 HydrophobicContact CB-SD 3.78Å; L119-M174 HydrophobicContact CD2-SD 4.36Å; L119-M174 HydrophobicContact CG-SD 4.49Å; L119-M174 WeakPolarHBondContact O-CE 3.43Å; L119-M174 WeakPolarHBondContact O-CG 3.4Å
120	K	98.9	Very high	98.3	Very high	65 Å²	65	40.3 Å²	40.3	28%	0.283	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-4.6	177.1	-69.1	-179.6	-72	175.2	0	114.2	L116 A117 V118 D122 T170 Y173 M179	L116-K120 WeakPolarHBondContact O-CB 3.48Å; L116-K120 WeakPolarHBondContact O-CE 3.36Å; L116-K120 VanDerWaalsContact O-CG 3.25Å; L116-K120 WeakPolarHBondContact O-CG 3.3Å; L116-K120 PolarHBondContact O-N 3.29Å; A117-K120 CarbonylContact O-C 3.37Å; A117-K120 PolarHBondContact O-N 2.9Å; V118-K120 VanDerWaalsContact C-N 3.32Å; V118-K120 PolarHBondContact O-N 3.48Å; K120-D122 HydrophobicContact CB-CB 4.41Å; K120-D122 PolarHBondContact O-N 3.02Å; K120-T170 HydrophobicContact CD-CG2 4.43Å; K120-T170 HydrophobicContact CG-CG2 3.81Å; K120-Y173 HydrophobicContact CB-CD1 4.06Å; K120-Y173 HydrophobicContact CB-CE1 3.8Å; K120-Y173 HydrophobicContact CD-CD1 4.15Å; K120-Y173 HydrophobicContact CD-CE1 4.38Å; K120-Y173 HydrophobicContact CD-CG 4.38Å; K120-Y173 HydrophobicContact CG-CD1 3.61Å; K120-Y173 HydrophobicContact CG-CE1 3.86Å; K120-Y173 HydrophobicContact CG-CG 4.26Å; K120-M179 WeakPolarHBondContact O-CE 3.47Å
121	G	98.8	Very high	98.2	Very high	27 Å²	27	41.4 Å²	41.4	28%	0.278	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	24.6	-175.5	0	0	0	0	0	113.5	A117 V118 L119 A123 L134	A117-G121 PolarHBondContact O-N 2.87Å; V118-G121 PolarHBondContact O-N 3.38Å; V118-G121 VanDerWaalsContact O-N 3.11Å; L119-G121 PolarHBondContact O-N 2.7Å; G121-A123 PolarHBondContact O-N 3.38Å; G121-L134 WeakPolarHBondContact CA-O 3.39Å
122	D	98.6	Very high	98.2	Very high	52 Å²	52	42.1 Å²	42.1	28%	0.278	27%	0.272	S	S	.	.			trans	-96.2	84.2	-174.7	-171	-10.5	0	0	0	111.3	A117 K120 S124 A125	A117-D122 PolarHBondContact O-N 3.37Å; K120-D122 HydrophobicContact CB-CB 4.41Å; K120-D122 PolarHBondContact O-N 3.02Å; D122-S124 PolarHBondContact O-N 3.11Å; D122-S124 VanDerWaalsContact O-N 3.13Å; D122-S124 WeakPolarHBondContact OD1-CB 3.35Å; D122-S124 PolarHBondContact OD1-N 3.18Å; D122-S124 PolarHBondContact OD1-OG 2.94Å; D122-A125 HydrophobicContact CB-CB 4.08Å; D122-A125 VanDerWaalsContact CG-CB 3.45Å; D122-A125 PolarHBondContact O-N 3.38Å; D122-A125 PolarHBondContact OD1-N 3.32Å; D122-A125 VanDerWaalsContact OD1-N 3.14Å; D122-A125 WeakPolarHBondContact OD2-CB 3.4Å
123	A	97.9	Very high	98.2	Very high	61 Å²	61	42 Å²	42	50%	0.504	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-10.1	177.7	0	0	0	0	0	113.8	G121 V126 V133	G121-A123 PolarHBondContact O-N 3.38Å; A123-V126 VanDerWaalsContact O-CG2 3.3Å; A123-V126 WeakPolarHBondContact O-CG2 3.46Å; A123-V133 HydrophobicContact CB-CG1 4.37Å; A123-V133 HydrophobicContact CB-CG2 3.88Å
124	S	98.1	Very high	98.2	Very high	110 Å²	110	37.5 Å²	37.5	77%	0.769	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-21.6	177	73.7	0	0	0	0	113	D122	D122-S124 PolarHBondContact O-N 3.11Å; D122-S124 VanDerWaalsContact O-N 3.13Å; D122-S124 WeakPolarHBondContact OD1-CB 3.35Å; D122-S124 PolarHBondContact OD1-N 3.18Å; D122-S124 PolarHBondContact OD1-OG 2.94Å
125	A	97.8	Very high	98.2	Very high	39 Å²	39	45.4 Å²	45.4	32%	0.322	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-17.7	179.6	0	0	0	0	0	113.7	A117 D122	A117-A125 HydrophobicContact CB-CB 3.88Å; D122-A125 HydrophobicContact CB-CB 4.08Å; D122-A125 VanDerWaalsContact CG-CB 3.45Å; D122-A125 PolarHBondContact O-N 3.38Å; D122-A125 PolarHBondContact OD1-N 3.32Å; D122-A125 VanDerWaalsContact OD1-N 3.14Å; D122-A125 WeakPolarHBondContact OD2-CB 3.4Å
126	V	97.8	Very high	98.2	Very high	22 Å²	22	45.7 Å²	45.7	13%	0.133	29%	0.287	C	S	.	.			trans	-68.7	141.2	174.9	-63.6	0	0	0	0	111.1	Y105 N114 A117 V118 A123 V133	Y105-V126 HydrophobicContact CE1-CB 4.16Å; Y105-V126 HydrophobicContact CE1-CG1 4.29Å; Y105-V126 WeakPolarHBondContact OH-CG1 3.5Å; N114-V126 WeakPolarHBondContact OD1-CA 3.16Å; A117-V126 HydrophobicContact CB-CG1 3.64Å; V118-V126 HydrophobicContact CG2-CG1 4.43Å; A123-V126 VanDerWaalsContact O-CG2 3.3Å; A123-V126 WeakPolarHBondContact O-CG2 3.46Å; V126-V133 HydrophobicContact CG1-CG1 3.66Å
127	K	95.5	Very high	98.2	Very high	153 Å²	153	45.8 Å²	45.8	67%	0.665	29%	0.292	S	S	*	.			trans	-119.6	122.4	178.1	-64	176.1	-179.1	171.5	0	108.6	N114	N114-K127 PolarHBondContact ND2-O 2.84Å; N114-K127 PolarHBondContact OD1-N 3.2Å
128	G	96.6	Very high	98.1	Very high	47 Å²	47	49.3 Å²	49.3	49%	0.485	32%	0.315	S	S	.	.	S	Bend	trans	70.3	-162	-175.7	0	0	0	0	0	113.1
129	G	96.9	Very high	98.1	Very high	39 Å²	39	53.7 Å²	53.7	40%	0.402	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-162.3	-177.1	0	0	0	0	0	114.6	D104 D109 G131	D104-G129 CarbonylContact O-C 3.57Å; D104-G129 WeakPolarHBondContact O-CA 3.35Å; D109-G129 PolarHBondContact OD2-N 3.48Å; G129-G131 PolarHBondContact O-N 2.82Å
130	S	98.1	Very high	98	Very high	66 Å²	66	54.5 Å²	54.5	46%	0.462	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.6	177.4	72.2	0	0	0	0	113.1	D104 K132	D104-S130 WeakPolarHBondContact CA-OG 3.49Å; D104-S130 WeakPolarHBondContact CB-OG 3.22Å; D104-S130 PolarHBondContact O-N 3.33Å; D104-S130 WeakPolarHBondContact OD1-CB 3.29Å; D104-S130 PolarHBondContact OD1-OG 3.17Å; S130-K132 PolarHBondContact O-N 3.5Å; S130-K132 VanDerWaalsContact OG-CB 3.26Å; S130-K132 WeakPolarHBondContact OG-CB 3.35Å; S130-K132 PolarHBondContact OG-N 3.26Å
131	G	98.3	Very high	98	Very high	28 Å²	28	51.7 Å²	51.7	29%	0.289	33%	0.33	S	S	.	.			trans	70.1	7	-171.4	0	0	0	0	0	114.1	G129 V133	G129-G131 PolarHBondContact O-N 2.82Å; G131-V133 PolarHBondContact O-N 2.92Å
132	K	98.7	Very high	98	Very high	47 Å²	47	50.4 Å²	50.4	20%	0.204	32%	0.317	C	S	.	.			trans	-69.9	129.5	178	-167.8	-168.2	-64	163.8	0	109.8	D65 I68 V69 D104 Y105 S130	D65-K132 PolarHBondContact O-NZ 3.33Å; I68-K132 WeakPolarHBondContact O-CD 3.21Å; I68-K132 PolarHBondContact O-NZ 2.05Å; V69-K132 HydrophobicContact CG2-CD 3.85Å; V69-K132 HydrophobicContact CG2-CG 4.02Å; D104-K132 VanDerWaalsContact CG-NZ 3.34Å; D104-K132 WeakPolarHBondContact OD1-CE 3.33Å; D104-K132 IonicContact OD1-NZ 3.71Å; D104-K132 PolarHBondContact OD1-NZ 3.04Å; D104-K132 IonicContact OD2-NZ 3.11Å; D104-K132 PolarHBondContact OD2-NZ 3.14Å; Y105-K132 WeakPolarHBondContact CE2-O 3.33Å; Y105-K132 PolarHBondContact OH-N 2.88Å; Y105-K132 PolarHBondContact OH-O 3.14Å; S130-K132 PolarHBondContact O-N 3.5Å; S130-K132 VanDerWaalsContact OG-CB 3.26Å; S130-K132 WeakPolarHBondContact OG-CB 3.35Å; S130-K132 PolarHBondContact OG-N 3.26Å
133	V	98.9	Very high	98	Very high	4 Å²	4	48 Å²	48	2%	0.024	30%	0.304	C	S	.	.			trans	-133.5	166.6	177.1	-60.4	0	0	0	0	109.4	V118 A123 V126 G131 K135	V118-V133 HydrophobicContact CG2-CG1 4.16Å; A123-V133 HydrophobicContact CB-CG1 4.37Å; A123-V133 HydrophobicContact CB-CG2 3.88Å; V126-V133 HydrophobicContact CG1-CG1 3.66Å; G131-V133 PolarHBondContact O-N 2.92Å; V133-K135 PolarHBondContact O-N 2.98Å
134	L	98.8	Very high	98.1	Very high	2 Å²	2	45 Å²	45	1%	0.01	28%	0.28	C	S	.	.			trans	-60	134.7	173.1	-68.4	-173.9	0	0	0	110.9	W32 V34 V118 L119 G121 V142 M174	W32-L134 HydrophobicContact CB-CD2 3.8Å; W32-L134 HydrophobicContact CD2-CD2 4.16Å; W32-L134 HydrophobicContact CE3-CD2 3.69Å; W32-L134 HydrophobicContact CG-CD2 4.25Å; V34-L134 HydrophobicContact CG2-CD1 4.07Å; V34-L134 HydrophobicContact CG2-CD2 3.65Å; V34-L134 HydrophobicContact CG2-CG 3.91Å; V118-L134 HydrophobicContact CG1-CG 4.49Å; V118-L134 WeakPolarHBondContact O-CB 3.23Å; V118-L134 PolarHBondContact O-N 3.39Å; L119-L134 HydrophobicContact CD2-CD1 4.11Å; G121-L134 WeakPolarHBondContact CA-O 3.39Å; L134-V142 HydrophobicContact CD1-CG1 3.9Å; L134-V142 HydrophobicContact CD1-CG2 4.44Å; L134-M174 HydrophobicContact CD1-CE 3.78Å
135	K	98.6	Very high	98.1	Very high	168 Å²	168	39.8 Å²	39.8	73%	0.73	24%	0.243	S	C	*	.			trans	-119.5	31.7	167.9	-54.5	178	180	174.5	0	110.5	W32 V133	W32-K135 HydrophobicContact CH2-CB 3.57Å; W32-K135 HydrophobicContact CH2-CG 4.2Å; W32-K135 HydrophobicContact CZ2-CB 3.8Å; W32-K135 HydrophobicContact CZ3-CB 4.4Å; V133-K135 PolarHBondContact O-N 2.98Å
136	S	98.6	Very high	98.2	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.07	23%	0.229	C	C	.	.			trans	-71.2	142.4	-177.8	55	0	0	0	0	111.5	W32 D140 M179	W32-S136 VanDerWaalsContact CD1-CB 3.45Å; S136-D140 VanDerWaalsContact CA-OD2 3.29Å; S136-D140 WeakPolarHBondContact CA-OD2 3.04Å; S136-M179 CarbonylContact C-O 3.56Å; S136-M179 WeakPolarHBondContact CB-O 3.27Å; S136-M179 PolarHBondContact OG-O 3.2Å
137	G	98.2	Very high	98.3	Very high	20 Å²	20	37.1 Å²	37.1	21%	0.206	22%	0.222	C	C	.	.			trans	-115.1	-173.1	-178.4	0	0	0	0	0	114.4	N139 D140 K178 M179 Y180	G137-N139 PolarHBondContact O-N 3.32Å; G137-D140 PolarHBondContact N-OD2 3.29Å; G137-D140 PolarHBondContact O-N 3.12Å; G137-D140 VanDerWaalsContact O-N 3.07Å; G137-K178 CarbonylContact C-O 3.46Å; G137-K178 VanDerWaalsContact C-O 3.27Å; G137-M179 CarbonylContact O-C 3.39Å; G137-Y180 WeakPolarHBondContact O-CA 3.39Å; G137-Y180 PolarHBondContact O-N 2.75Å
138	P	98	Very high	98.4	Very high	76 Å²	76	29.9 Å²	29.9	49%	0.494	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-12.4	-173.8	23.8	-35.2	0	0	0	115.1	K178 K181	P138-K178 VanDerWaalsContact CA-O 3.29Å; P138-K178 WeakPolarHBondContact CA-O 3.44Å; P138-K178 HydrophobicContact CB-CB 4.09Å; P138-K178 WeakPolarHBondContact CD-O 3.06Å; P138-K181 WeakPolarHBondContact O-CB 3.27Å
139	N	97.4	Very high	98.5	Very high	91 Å²	91	28.2 Å²	28.2	49%	0.487	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-4	-179.8	-64	-35.5	0	0	0	112.8	G29 G137	G29-N139 WeakPolarHBondContact CA-O 3.3Å; G137-N139 PolarHBondContact O-N 3.32Å
140	D	98.4	Very high	98.6	Very high	18 Å²	18	26.3 Å²	26.3	10%	0.096	15%	0.151	C	C	.	.			trans	-91.5	153.9	-169.6	-68.6	-8.6	0	0	0	112	G29 K30 W32 S136 G137 K181	G29-D140 WeakPolarHBondContact CA-OD1 3.45Å; K30-D140 PolarHBondContact N-OD1 3.09Å; K30-D140 CarbonylContact O-C 3.27Å; K30-D140 VanDerWaalsContact O-CA 3.23Å; K30-D140 WeakPolarHBondContact O-CA 3.47Å; K30-D140 WeakPolarHBondContact O-CB 3.34Å; W32-D140 PolarHBondContact NE1-OD2 3.19Å; S136-D140 VanDerWaalsContact CA-OD2 3.29Å; S136-D140 WeakPolarHBondContact CA-OD2 3.04Å; G137-D140 PolarHBondContact N-OD2 3.29Å; G137-D140 PolarHBondContact O-N 3.12Å; G137-D140 VanDerWaalsContact O-N 3.07Å; D140-K181 WeakPolarHBondContact O-CB 3.45Å; D140-K181 PolarHBondContact O-N 2.88Å
141	H	98.8	Very high	98.6	Very high	5 Å²	5	23.2 Å²	23.2	2%	0.023	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	144.3	168.2	-62.5	155.2	0	0	0	110.4	D27 K30 H31 W32 K182 Q283 F284	D27-H141 IonicContact OD1-CE1 3.71Å; D27-H141 IonicContact OD1-ND1 3Å; D27-H141 IonicContact OD2-CE1 2.66Å; D27-H141 PolarHBondContact OD2-CE1 3.07Å; D27-H141 VanDerWaalsContact OD2-CE1 3.29Å; D27-H141 IonicContact OD2-ND1 3.78Å; K30-H141 PolarHBondContact O-N 3.47Å; H31-H141 WeakPolarHBondContact CA-O 3.29Å; H31-H141 AromaticContact CD2-CG 3.98Å; H31-H141 AromaticContact CD2-ND1 3.67Å; H31-H141 AromaticContact NE2-ND1 3.42Å; H31-H141 PolarHBondContact NE2-ND1 3.43Å; W32-H141 PolarHBondContact N-O 3.4Å; H141-K182 WeakPolarHBondContact CA-O 3.44Å; H141-Q283 WeakPolarHBondContact CB-O 3.08Å; H141-Q283 PolarHBondContact ND1-O 3.04Å; H141-F284 HydrophobicContact CB-CD1 4.02Å; H141-F284 HydrophobicContact CB-CE1 3.9Å
142	V	98.9	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.5	176.4	-179.5	0	0	0	0	109.1	W32 L134 V144 K182 M183 V184	W32-V142 HydrophobicContact CB-CG2 4.3Å; W32-V142 CarbonylContact O-C 3.59Å; W32-V142 WeakPolarHBondContact O-CA 3.45Å; L134-V142 HydrophobicContact CD1-CG1 3.9Å; L134-V142 HydrophobicContact CD1-CG2 4.44Å; V142-V144 HydrophobicContact CG1-CG2 3.92Å; V142-K182 PolarHBondContact N-O 2.89Å; V142-M183 HydrophobicContact CB-CB 4.3Å; V142-M183 HydrophobicContact CB-CG 3.97Å; V142-M183 HydrophobicContact CB-SD 4.27Å; V142-M183 HydrophobicContact CG1-CG 4.17Å; V142-M183 HydrophobicContact CG1-SD 4.12Å; V142-M183 CarbonylContact O-C 3.53Å; V142-M183 VanDerWaalsContact O-CA 3.24Å; V142-M183 WeakPolarHBondContact O-CA 3.48Å; V142-V184 PolarHBondContact O-N 2.6Å
143	F	98.9	Very high	98.6	Very high	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.1	170	179.1	-122.7	0	0	0	109.2	W32 V33 V34 V184 Y186 W238 F284 Q285	W32-F143 PolarHBondContact O-N 2.8Å; V33-F143 CarbonylContact C-O 3.53Å; V33-F143 VanDerWaalsContact CA-O 3.27Å; V33-F143 WeakPolarHBondContact CA-O 3.37Å; V33-F143 HydrophobicContact CG1-CD1 4.14Å; V33-F143 HydrophobicContact CG2-CB 4.37Å; V33-F143 HydrophobicContact CG2-CD1 4.45Å; V34-F143 PolarHBondContact N-O 3.03Å; F143-V184 CarbonylContact C-O 3.51Å; F143-V184 WeakPolarHBondContact CA-O 3.33Å; F143-V184 HydrophobicContact CD2-CB 4.12Å; F143-V184 HydrophobicContact CD2-CG1 3.94Å; F143-V184 HydrophobicContact CE2-CG1 4.13Å; F143-Y186 HydrophobicContact CE2-CD1 4.04Å; F143-Y186 AromaticContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CE1 4.46Å; F143-Y186 HydrophobicContact CE2-CE2 4.32Å; F143-Y186 AromaticContact CE2-CG 3.75Å; F143-Y186 HydrophobicContact CE2-CG 3.75Å; F143-Y186 AromaticContact CZ-CD2 3.86Å; F143-Y186 HydrophobicContact CZ-CD2 3.86Å; F143-Y186 HydrophobicContact CZ-CE2 4.41Å; F143-Y186 HydrophobicContact CZ-CG 4.05Å; F143-W238 HydrophobicContact CE1-CH2 4.32Å; F143-W238 HydrophobicContact CZ-CH2 4.27Å; F143-F284 HydrophobicContact CB-CB 4.15Å; F143-F284 WeakPolarHBondContact CB-O 3.5Å; F143-F284 HydrophobicContact CD2-CB 4.46Å; F143-F284 HydrophobicContact CG-CB 4.47Å; F143-Q285 HydrophobicContact CD1-CG 4.33Å; F143-Q285 HydrophobicContact CE1-CG 4.17Å; F143-Q285 HydrophobicContact CZ-CG 4.33Å
144	V	99	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.4	175.8	-173.2	0	0	0	0	108.2	V34 F115 L119 V142 V184 F185 Y186	V34-V144 HydrophobicContact CB-CG1 4.37Å; V34-V144 HydrophobicContact CB-CG2 4.45Å; V34-V144 CarbonylContact O-C 3.57Å; V34-V144 VanDerWaalsContact O-CA 3.3Å; V34-V144 WeakPolarHBondContact O-CA 3.43Å; F115-V144 HydrophobicContact CE2-CG1 4.06Å; F115-V144 HydrophobicContact CZ-CG1 4.01Å; L119-V144 HydrophobicContact CD2-CG2 3.85Å; V142-V144 HydrophobicContact CG1-CG2 3.92Å; V144-V184 PolarHBondContact N-O 2.68Å; V144-F185 HydrophobicContact CB-CD1 3.61Å; V144-F185 HydrophobicContact CB-CE1 3.55Å; V144-F185 HydrophobicContact CB-CG 4.14Å; V144-F185 HydrophobicContact CB-CZ 4.03Å; V144-F185 HydrophobicContact CG1-CD1 3.76Å; V144-F185 HydrophobicContact CG1-CE1 3.49Å; V144-F185 VanDerWaalsContact CG1-CE1 3.49Å; V144-F185 HydrophobicContact CG1-CZ 4.29Å; V144-F185 HydrophobicContact CG2-CD1 4.32Å; V144-F185 HydrophobicContact CG2-CE1 3.86Å; V144-F185 HydrophobicContact CG2-CE2 4.28Å; V144-F185 HydrophobicContact CG2-CZ 3.83Å; V144-F185 CarbonylContact O-C 3.54Å; V144-F185 VanDerWaalsContact O-CA 3.29Å; V144-F185 WeakPolarHBondContact O-CA 3.17Å; V144-Y186 PolarHBondContact O-N 3.2Å
145	Y	99	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128	173.1	165.6	-118.2	0	0	0	110.4	V34 I35 V36 D50 A54 T147 Y186 E188 S235 W238	V34-Y145 PolarHBondContact O-N 2.89Å; I35-Y145 CarbonylContact C-O 3.6Å; I35-Y145 VanDerWaalsContact CA-O 3.3Å; I35-Y145 WeakPolarHBondContact CA-O 3.22Å; I35-Y145 HydrophobicContact CG2-CD1 4.14Å; V36-Y145 PolarHBondContact N-O 2.8Å; D50-Y145 HydrophobicContact CB-CE1 4.5Å; D50-Y145 WeakPolarHBondContact CB-OH 3.19Å; D50-Y145 PolarHBondContact OD2-OH 2.53Å; A54-Y145 HydrophobicContact CB-CD1 3.62Å; A54-Y145 HydrophobicContact CB-CE1 3.77Å; Y145-T147 HydrophobicContact CE1-CG2 3.99Å; Y145-T147 WeakPolarHBondContact OH-CB 3.18Å; Y145-Y186 WeakPolarHBondContact CA-O 3.47Å; Y145-E188 HydrophobicContact CE2-CB 4.36Å; Y145-S235 WeakPolarHBondContact OH-CB 3.39Å; Y145-S235 PolarHBondContact OH-OG 3.13Å; Y145-W238 AromaticContact CD1-CZ2 3.9Å; Y145-W238 HydrophobicContact CD1-CZ2 3.9Å; Y145-W238 HydrophobicContact CD2-CZ2 4.08Å; Y145-W238 AromaticContact CE1-CZ2 3.89Å; Y145-W238 HydrophobicContact CE1-CZ2 3.89Å; Y145-W238 HydrophobicContact CE2-CZ2 4.08Å; Y145-W238 AromaticContact CE2-NE1 3.6Å; Y145-W238 AromaticContact CG-CZ2 3.97Å; Y145-W238 HydrophobicContact CG-CZ2 3.97Å; Y145-W238 AromaticContact CZ-CZ2 3.97Å; Y145-W238 AromaticContact CZ-NE1 3.88Å
146	F	98.9	Very high	98.6	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.018	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	136	178.3	177.9	-79.7	0	0	0	108.8	V36 D148 L155 A156 F157 Y186 I187 E188	V36-F146 HydrophobicContact CB-CD2 3.9Å; V36-F146 HydrophobicContact CG1-CD2 3.83Å; V36-F146 HydrophobicContact CG1-CE2 3.95Å; V36-F146 WeakPolarHBondContact O-CA 3.49Å; F146-D148 HydrophobicContact CE1-CB 3.53Å; F146-D148 HydrophobicContact CZ-CB 3.53Å; F146-L155 HydrophobicContact CD1-CB 4.48Å; F146-L155 HydrophobicContact CD1-CD1 3.92Å; F146-L155 HydrophobicContact CD1-CD2 3.93Å; F146-L155 HydrophobicContact CD1-CG 4.31Å; F146-L155 HydrophobicContact CD2-CD1 4.29Å; F146-L155 HydrophobicContact CE1-CB 3.87Å; F146-L155 HydrophobicContact CE1-CD1 4.15Å; F146-L155 HydrophobicContact CE1-CD2 3.73Å; F146-L155 HydrophobicContact CE1-CG 4.1Å; F146-L155 HydrophobicContact CE2-CB 4.18Å; F146-L155 HydrophobicContact CG-CD1 4.01Å; F146-L155 HydrophobicContact CZ-CB 3.71Å; F146-L155 HydrophobicContact CZ-CD1 4.45Å; F146-L155 HydrophobicContact CZ-CD2 4.45Å; F146-L155 HydrophobicContact CZ-CG 4.4Å; F146-A156 VanDerWaalsContact CZ-O 3.25Å; F146-A156 WeakPolarHBondContact CZ-O 3.48Å; F146-F157 HydrophobicContact CD2-CE2 4.49Å; F146-F157 HydrophobicContact CE2-CD2 4.29Å; F146-F157 AromaticContact CE2-CE2 3.73Å; F146-F157 HydrophobicContact CE2-CE2 3.73Å; F146-F157 HydrophobicContact CE2-CZ 4.13Å; F146-Y186 PolarHBondContact N-O 2.89Å; F146-I187 HydrophobicContact CD1-CG2 4.14Å; F146-E188 PolarHBondContact O-N 3.05Å
147	T	98.9	Very high	98.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	119.8	174.1	177.1	0	0	0	0	110.7	V36 A37 G38 H47 D50 V51 Y145 E188	V36-T147 PolarHBondContact O-N 3.37Å; A37-T147 WeakPolarHBondContact CA-O 3.5Å; G38-T147 PolarHBondContact N-O 3.46Å; H47-T147 HydrophobicContact CB-CG2 4.21Å; H47-T147 WeakPolarHBondContact O-CG2 3.27Å; D50-T147 HydrophobicContact CB-CG2 3.78Å; D50-T147 PolarHBondContact OD2-OG1 3.18Å; D50-T147 VanDerWaalsContact OD2-OG1 3.1Å; V51-T147 HydrophobicContact CG2-CG2 3.64Å; Y145-T147 HydrophobicContact CE1-CG2 3.99Å; Y145-T147 WeakPolarHBondContact OH-CB 3.18Å; T147-E188 WeakPolarHBondContact CA-O 3.06Å; T147-E188 WeakPolarHBondContact OG1-CG 3.24Å
148	D	97.9	Very high	98.6	Very high	2 Å²	2	11.4 Å²	11.4	1%	0.011	7%	0.066	C	C	.	.	S	Bend	trans	-172.3	-162.3	171.2	-162.1	20.1	0	0	0	112.7	G38 S39 H47 F146 A156 E188 A189	G38-D148 VanDerWaalsContact CA-CG 3.44Å; G38-D148 WeakPolarHBondContact CA-OD2 3.36Å; S39-D148 WeakPolarHBondContact CB-OD1 3.43Å; S39-D148 PolarHBondContact N-OD1 2.83Å; S39-D148 PolarHBondContact OG-OD1 2.82Å; H47-D148 IonicContact CE1-OD1 2.71Å; H47-D148 PolarHBondContact CE1-OD1 2.89Å; H47-D148 IonicContact CG-OD1 3.6Å; H47-D148 IonicContact ND1-OD1 2.7Å; H47-D148 PolarHBondContact ND1-OD1 3.21Å; H47-D148 VanDerWaalsContact ND1-OD1 3.16Å; F146-D148 HydrophobicContact CE1-CB 3.53Å; F146-D148 HydrophobicContact CZ-CB 3.53Å; D148-A156 WeakPolarHBondContact OD2-CB 3.36Å; D148-E188 PolarHBondContact N-O 3.05Å; D148-A189 VanDerWaalsContact O-CA 3.22Å; D148-A189 WeakPolarHBondContact O-CA 3.16Å; D148-A189 WeakPolarHBondContact O-CB 3.4Å
149	H	98.6	Very high	98.5	Very high	11 Å²	11	12.1 Å²	12.1	5%	0.051	7%	0.066	C	C	.	.			trans	-65.5	156.7	155.5	-58.7	-70.8	0	0	0	114	N44 R46 H47 A156 S311 E403 L406	N44-H149 PolarHBondContact OD1-NE2 3.47Å; R46-H149 PolarHBondContact NH2-CE1 2.91Å; H47-H149 AromaticContact CE1-CD2 3.93Å; H47-H149 AromaticContact CE1-NE2 3.84Å; H149-A156 HydrophobicContact CB-CB 4.18Å; H149-A156 PolarHBondContact O-N 3.07Å; H149-S311 PolarHBondContact CE1-OG 2.86Å; H149-S311 PolarHBondContact ND1-OG 3.02Å; H149-E403 IonicContact CD2-OE2 3.37Å; H149-E403 IonicContact CE1-OE1 2.67Å; H149-E403 PolarHBondContact CE1-OE1 3.29Å; H149-E403 IonicContact CE1-OE2 3.79Å; H149-E403 IonicContact NE2-OE1 3.09Å; H149-E403 PolarHBondContact NE2-OE1 3.1Å; H149-E403 IonicContact NE2-OE2 2.74Å; H149-E403 PolarHBondContact NE2-OE2 2.9Å; H149-L406 HydrophobicContact CB-CD1 3.88Å
150	G	98.6	Very high	98.4	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	175.1	173.9	0	0	0	0	0	111.7	I154 C190 R407	G150-I154 WeakPolarHBondContact CA-O 3.23Å; G150-C190 CarbonylContact C-O 3.5Å; G150-C190 WeakPolarHBondContact CA-O 3.47Å; G150-R407 PolarHBondContact O-NH2 3.4Å
151	A	98.6	Very high	98.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	172.3	170.6	0	0	0	0	0	108.5	G153 I154 L406 L409	A151-G153 PolarHBondContact O-N 3.25Å; A151-I154 HydrophobicContact CB-CB 4.27Å; A151-I154 PolarHBondContact N-O 2.86Å; A151-I154 PolarHBondContact O-N 3.35Å; A151-I154 VanDerWaalsContact O-O 3.04Å; A151-L406 HydrophobicContact CB-CB 4.44Å; A151-L406 HydrophobicContact CB-CD2 3.99Å; A151-L409 HydrophobicContact CB-CB 4.43Å; A151-L409 HydrophobicContact CB-CD1 3.99Å
152	P	98.6	Very high	98.4	Very high	18 Å²	18	9.7 Å²	9.7	12%	0.117	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	113.7	177.7	-30.5	37.7	0	0	0	112.3	I154 E191 Y383 V413	P152-I154 VanDerWaalsContact C-N 3.31Å; P152-I154 PolarHBondContact O-N 3.31Å; P152-E191 HydrophobicContact CG-CG 4.29Å; P152-Y383 WeakPolarHBondContact O-CE1 3.26Å; P152-Y383 VanDerWaalsContact O-CZ 3.3Å; P152-Y383 PolarHBondContact O-OH 3.46Å; P152-V413 HydrophobicContact CB-CG2 3.99Å
153	G	98.6	Very high	98.4	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.01	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	19.8	-179.5	0	0	0	0	0	115.8	A151 H163 V164 S194	A151-G153 PolarHBondContact O-N 3.25Å; G153-H163 WeakPolarHBondContact O-CA 3.42Å; G153-V164 PolarHBondContact O-N 3.18Å; G153-S194 PolarHBondContact N-OG 2.99Å
154	I	98.7	Very high	98.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.4	-178.8	-65.4	168.5	0	0	0	110.7	G150 A151 P152 D161 L162 M195 Y383 V387 L409	G150-I154 WeakPolarHBondContact CA-O 3.23Å; A151-I154 HydrophobicContact CB-CB 4.27Å; A151-I154 PolarHBondContact N-O 2.86Å; A151-I154 PolarHBondContact O-N 3.35Å; A151-I154 VanDerWaalsContact O-O 3.04Å; P152-I154 VanDerWaalsContact C-N 3.31Å; P152-I154 PolarHBondContact O-N 3.31Å; I154-D161 HydrophobicContact CG2-CB 3.88Å; I154-L162 WeakPolarHBondContact CA-O 3.02Å; I154-M195 PolarHBondContact N-SD 3.36Å; I154-M195 VanDerWaalsContact N-SD 3.36Å; I154-Y383 HydrophobicContact CD1-CE1 4.05Å; I154-Y383 HydrophobicContact CG1-CE1 4.29Å; I154-V387 HydrophobicContact CD1-CG1 3.7Å; I154-V387 HydrophobicContact CD1-CG2 4.15Å; I154-L409 HydrophobicContact CD1-CD1 3.92Å
155	L	98.9	Very high	98.3	Very high	3 Å²	3	14.9 Å²	14.9	2%	0.016	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.9	157.6	-64.9	174	0	0	0	108.3	F146 L162 I187 A189 M195	F146-L155 HydrophobicContact CD1-CB 4.48Å; F146-L155 HydrophobicContact CD1-CD1 3.92Å; F146-L155 HydrophobicContact CD1-CD2 3.93Å; F146-L155 HydrophobicContact CD1-CG 4.31Å; F146-L155 HydrophobicContact CD2-CD1 4.29Å; F146-L155 HydrophobicContact CE1-CB 3.87Å; F146-L155 HydrophobicContact CE1-CD1 4.15Å; F146-L155 HydrophobicContact CE1-CD2 3.73Å; F146-L155 HydrophobicContact CE1-CG 4.1Å; F146-L155 HydrophobicContact CE2-CB 4.18Å; F146-L155 HydrophobicContact CG-CD1 4.01Å; F146-L155 HydrophobicContact CZ-CB 3.71Å; F146-L155 HydrophobicContact CZ-CD1 4.45Å; F146-L155 HydrophobicContact CZ-CD2 4.45Å; F146-L155 HydrophobicContact CZ-CG 4.4Å; L155-L162 HydrophobicContact CB-CB 4.34Å; L155-L162 HydrophobicContact CD1-CD2 4.38Å; L155-L162 PolarHBondContact N-O 3.28Å; L155-L162 PolarHBondContact O-N 3.14Å; L155-I187 HydrophobicContact CD1-CG2 4.19Å; L155-I187 HydrophobicContact CD2-CG2 3.75Å; L155-A189 HydrophobicContact CD2-CB 3.63Å; L155-M195 HydrophobicContact CD1-CE 3.98Å; L155-M195 HydrophobicContact CD1-CG 4.24Å; L155-M195 HydrophobicContact CD2-CG 3.95Å; L155-M195 HydrophobicContact CG-CE 3.8Å; L155-M195 HydrophobicContact CG-CG 3.83Å; L155-M195 HydrophobicContact CG-SD 4.05Å
156	A	98.4	Very high	98.3	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.033	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	147.9	-179.7	0	0	0	0	0	111	G38 F146 D148 H149	G38-A156 WeakPolarHBondContact CA-O 3.32Å; F146-A156 VanDerWaalsContact CZ-O 3.25Å; F146-A156 WeakPolarHBondContact CZ-O 3.48Å; D148-A156 WeakPolarHBondContact OD2-CB 3.36Å; H149-A156 HydrophobicContact CB-CB 4.18Å; H149-A156 PolarHBondContact O-N 3.07Å
157	F	98.7	Very high	98.3	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	9%	0.092	C	C	.	.			trans	-121.4	164.9	165.6	-87.4	-110	0	0	0	107.2	V36 G38 M71 V110 T111 P112 F115 F146 N159 D160 L162 H398	V36-F157 HydrophobicContact CG1-CE1 3.88Å; V36-F157 HydrophobicContact CG1-CZ 3.89Å; G38-F157 CarbonylContact O-C 3.36Å; G38-F157 WeakPolarHBondContact O-CA 3.26Å; M71-F157 HydrophobicContact CE-CE1 4.48Å; V110-F157 HydrophobicContact CG1-CD1 3.96Å; V110-F157 HydrophobicContact CG1-CE1 4.26Å; T111-F157 VanDerWaalsContact C-CE1 3.45Å; T111-F157 WeakPolarHBondContact O-CE1 3.39Å; P112-F157 HydrophobicContact CB-CD2 4.45Å; P112-F157 HydrophobicContact CG-CB 3.98Å; P112-F157 HydrophobicContact CG-CD1 4.35Å; P112-F157 HydrophobicContact CG-CD2 3.77Å; P112-F157 HydrophobicContact CG-CE2 4.34Å; P112-F157 HydrophobicContact CG-CG 3.77Å; F115-F157 HydrophobicContact CB-CE1 3.88Å; F115-F157 HydrophobicContact CB-CZ 3.62Å; F115-F157 HydrophobicContact CD1-CE2 4.45Å; F115-F157 AromaticContact CD1-CZ 3.88Å; F115-F157 HydrophobicContact CD1-CZ 3.88Å; F115-F157 HydrophobicContact CG-CE1 4.49Å; F115-F157 AromaticContact CG-CZ 3.81Å; F115-F157 HydrophobicContact CG-CZ 3.81Å; F146-F157 HydrophobicContact CD2-CE2 4.49Å; F146-F157 HydrophobicContact CE2-CD2 4.29Å; F146-F157 AromaticContact CE2-CE2 3.73Å; F146-F157 HydrophobicContact CE2-CE2 3.73Å; F146-F157 HydrophobicContact CE2-CZ 4.13Å; F157-N159 PolarHBondContact O-N 3.32Å; F157-D160 CarbonylContact C-O 3.42Å; F157-D160 WeakPolarHBondContact CA-O 3.24Å; F157-D160 WeakPolarHBondContact CB-O 3.49Å; F157-D160 PolarHBondContact N-O 3.06Å; F157-D160 PolarHBondContact O-N 3.39Å; F157-L162 HydrophobicContact CD2-CB 4.03Å; F157-L162 HydrophobicContact CE2-CB 3.8Å; F157-L162 HydrophobicContact CE2-CD2 4.17Å; F157-H398 PolarHBondContact O-CE1 3.33Å; F157-H398 PolarHBondContact O-ND1 3.23Å; F157-H398 VanDerWaalsContact O-ND1 3.13Å
158	P	97.9	Very high	98.3	Very high	4 Å²	4	18.9 Å²	18.9	3%	0.026	10%	0.099	C	C	.	.	S	Bend	trans	-58.3	-27.4	-166.3	-30.4	37.8	0	0	0	114.7	G38 Y73 V110	G38-P158 WeakPolarHBondContact O-CA 3.34Å; G38-P158 WeakPolarHBondContact O-CD 3.36Å; G38-P158 WeakPolarHBondContact O-CG 3.41Å; Y73-P158 HydrophobicContact CD2-CB 3.6Å; Y73-P158 HydrophobicContact CD2-CG 3.74Å; Y73-P158 HydrophobicContact CE2-CB 3.9Å; Y73-P158 HydrophobicContact CE2-CG 4.48Å; V110-P158 HydrophobicContact CB-CG 4.11Å; V110-P158 HydrophobicContact CG1-CG 3.94Å; V110-P158 WeakPolarHBondContact O-CD 3.38Å
159	N	95.7	Very high	98.3	Very high	90 Å²	90	22.4 Å²	22.4	48%	0.481	12%	0.124	S	C	.	.	S	Bend	trans	-134.6	1.4	179.8	-65.6	-62.7	0	0	0	113.8	D108 F157 H398	D108-N159 PolarHBondContact OD1-ND2 2.88Å; F157-N159 PolarHBondContact O-N 3.32Å; N159-H398 VanDerWaalsContact C-CD2 3.5Å; N159-H398 PolarHBondContact O-CD2 2.91Å
160	D	97.3	Very high	98.3	Very high	56 Å²	56	22.3 Å²	22.3	30%	0.299	12%	0.124	S	C	.	.	S	Bend	trans	-152.3	-176.9	-179.5	-147	-13.5	0	0	0	112	P112 F157 K391 H398	P112-D160 HydrophobicContact CG-CB 4.11Å; F157-D160 CarbonylContact C-O 3.42Å; F157-D160 WeakPolarHBondContact CA-O 3.24Å; F157-D160 WeakPolarHBondContact CB-O 3.49Å; F157-D160 PolarHBondContact N-O 3.06Å; F157-D160 PolarHBondContact O-N 3.39Å; D160-K391 IonicContact OD1-NZ 3.05Å; D160-K391 PolarHBondContact OD1-NZ 2.85Å; D160-H398 WeakPolarHBondContact CA-NE2 3.34Å; D160-H398 PolarHBondContact N-NE2 3.44Å; D160-H398 PolarHBondContact O-CE1 2.74Å; D160-H398 PolarHBondContact O-NE2 2.94Å
161	D	98.2	Very high	98.3	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.7	-171.5	-60.2	-79.6	0	0	0	111.5	I154 H163 K391 W397 H398	I154-D161 HydrophobicContact CG2-CB 3.88Å; D161-H163 PolarHBondContact O-N 3.28Å; D161-K391 WeakPolarHBondContact OD2-CD 3.37Å; D161-K391 IonicContact OD2-NZ 2.92Å; D161-K391 PolarHBondContact OD2-NZ 3.48Å; D161-W397 PolarHBondContact OD1-NE1 3.46Å; D161-W397 VanDerWaalsContact OD2-CZ2 3.25Å; D161-W397 WeakPolarHBondContact OD2-CZ2 3.48Å; D161-W397 PolarHBondContact OD2-NE1 2.8Å; D161-H398 IonicContact OD1-CE1 3.47Å; D161-H398 PolarHBondContact OD1-CE1 3.11Å; D161-H398 IonicContact OD1-NE2 3.03Å; D161-H398 IonicContact OD2-CE1 3.09Å; D161-H398 IonicContact OD2-NE2 3.61Å; D161-H398 PolarHBondContact OD2-NE2 3.35Å
162	L	98.8	Very high	98.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	111.8	171.1	174.6	61.8	0	0	0	110	P112 F115 L116 I154 L155 F157 D166 L167	P112-L162 HydrophobicContact CB-CB 4.09Å; P112-L162 HydrophobicContact CB-CD1 4.31Å; P112-L162 HydrophobicContact CG-CB 4.31Å; F115-L162 HydrophobicContact CD1-CD2 3.78Å; F115-L162 HydrophobicContact CE1-CD2 3.63Å; L116-L162 HydrophobicContact CD1-CD1 3.82Å; L116-L162 HydrophobicContact CD2-CD1 3.84Å; L116-L162 HydrophobicContact CG-CD1 4.04Å; I154-L162 WeakPolarHBondContact CA-O 3.02Å; L155-L162 HydrophobicContact CB-CB 4.34Å; L155-L162 HydrophobicContact CD1-CD2 4.38Å; L155-L162 PolarHBondContact N-O 3.28Å; L155-L162 PolarHBondContact O-N 3.14Å; F157-L162 HydrophobicContact CD2-CB 4.03Å; F157-L162 HydrophobicContact CE2-CB 3.8Å; F157-L162 HydrophobicContact CE2-CD2 4.17Å; L162-D166 HydrophobicContact CD1-CB 4.2Å; L162-L167 HydrophobicContact CD1-CB 4.35Å; L162-L167 HydrophobicContact CD2-CB 4.26Å; L162-L167 HydrophobicContact CD2-CD1 4.48Å; L162-L167 HydrophobicContact CD2-CD2 4.43Å; L162-L167 HydrophobicContact CG-CB 4.43Å
163	H	98.6	Very high	98.4	Very high	13 Å²	13	29 Å²	29	6%	0.06	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	145.3	173.5	-71.8	-90.9	0	0	0	112.3	G153 D161 E165 D166 L167	G153-H163 WeakPolarHBondContact O-CA 3.42Å; D161-H163 PolarHBondContact O-N 3.28Å; H163-E165 VanDerWaalsContact C-N 3.28Å; H163-E165 PolarHBondContact O-N 2.96Å; H163-D166 PolarHBondContact O-N 3.17Å; H163-L167 PolarHBondContact O-N 2.97Å
164	V	98.5	Very high	98.4	Very high	13 Å²	13	29 Å²	29	8%	0.079	15%	0.15	C	C	.	.	H	α-helix	trans	-55.6	-36.7	-178.7	64.5	0	0	0	0	114	G153 D166 L167 Q168 M195 L377	G153-V164 PolarHBondContact O-N 3.18Å; V164-D166 VanDerWaalsContact C-N 3.32Å; V164-D166 PolarHBondContact O-N 2.87Å; V164-L167 PolarHBondContact O-N 3.06Å; V164-Q168 HydrophobicContact CG2-CG 3.93Å; V164-Q168 WeakPolarHBondContact O-CB 3.35Å; V164-Q168 WeakPolarHBondContact O-CG 3.48Å; V164-Q168 PolarHBondContact O-N 3.31Å; V164-M195 HydrophobicContact CB-CE 3.89Å; V164-M195 HydrophobicContact CB-SD 3.86Å; V164-M195 HydrophobicContact CG2-CE 4.33Å; V164-M195 WeakPolarHBondContact CG2-O 3.37Å; V164-M195 HydrophobicContact CG2-SD 4.33Å; V164-L377 HydrophobicContact CG1-CD2 4.06Å
165	E	97.5	Very high	98.4	Very high	84 Å²	84	32.1 Å²	32.1	39%	0.393	16%	0.164	S	C	.	.	H	α-helix	trans	-63.6	-38.2	178.2	-76.3	-165.9	124.4	0	0	112.6	H163 S169 H380	H163-E165 VanDerWaalsContact C-N 3.28Å; H163-E165 PolarHBondContact O-N 2.96Å; E165-S169 WeakPolarHBondContact O-CB 3.47Å; E165-S169 PolarHBondContact O-N 2.95Å; E165-S169 PolarHBondContact O-OG 3.44Å; E165-H380 HydrophobicContact CG-CB 3.65Å; E165-H380 VanDerWaalsContact CG-CG 3.42Å; E165-H380 WeakPolarHBondContact OE1-CB 3.47Å; E165-H380 IonicContact OE1-CD2 3.52Å; E165-H380 PolarHBondContact OE1-CD2 3.05Å; E165-H380 IonicContact OE1-CG 3.35Å; E165-H380 WeakPolarHBondContact OE2-CB 3.37Å; E165-H380 IonicContact OE2-CG 2.86Å
166	D	98.4	Very high	98.4	Very high	53 Å²	53	38.1 Å²	38.1	28%	0.283	19%	0.192	S	C	.	.	H	α-helix	trans	-70.8	-38.3	-178.5	-59.6	-48	0	0	0	110.3	L116 L162 H163 V164 T170 K384	L116-D166 HydrophobicContact CD1-CB 3.83Å; L162-D166 HydrophobicContact CD1-CB 4.2Å; H163-D166 PolarHBondContact O-N 3.17Å; V164-D166 VanDerWaalsContact C-N 3.32Å; V164-D166 PolarHBondContact O-N 2.87Å; D166-T170 WeakPolarHBondContact O-CB 3.45Å; D166-T170 PolarHBondContact O-N 3.34Å; D166-T170 PolarHBondContact O-OG1 3.34Å; D166-K384 IonicContact OD1-NZ 3.31Å; D166-K384 PolarHBondContact OD1-NZ 2.93Å; D166-K384 IonicContact OD2-NZ 2.95Å; D166-K384 PolarHBondContact OD2-NZ 3.13Å
167	L	98.8	Very high	98.4	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-66.2	-49.8	173	-179.9	58.3	0	0	0	112	F115 L116 L119 L162 H163 V164 S169 T170 I171 F185 M195 M196	F115-L167 HydrophobicContact CE1-CD1 4.15Å; L116-L167 HydrophobicContact CD2-CD1 4.4Å; L119-L167 HydrophobicContact CD1-CD1 4.21Å; L162-L167 HydrophobicContact CD1-CB 4.35Å; L162-L167 HydrophobicContact CD2-CB 4.26Å; L162-L167 HydrophobicContact CD2-CD1 4.48Å; L162-L167 HydrophobicContact CD2-CD2 4.43Å; L162-L167 HydrophobicContact CG-CB 4.43Å; H163-L167 PolarHBondContact O-N 2.97Å; V164-L167 PolarHBondContact O-N 3.06Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.04Å; L167-T170 WeakPolarHBondContact O-CB 3.25Å; L167-T170 PolarHBondContact O-N 3.25Å; L167-T170 VanDerWaalsContact O-N 3.1Å; L167-I171 HydrophobicContact CD1-CD1 4.22Å; L167-I171 HydrophobicContact CD1-CG1 4.36Å; L167-I171 HydrophobicContact CG-CD1 4.07Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 2.95Å; L167-F185 HydrophobicContact CD1-CE1 4.26Å; L167-F185 HydrophobicContact CD1-CZ 4.44Å; L167-M195 HydrophobicContact CB-CE 4.45Å; L167-M195 HydrophobicContact CD2-CE 3.88Å; L167-M196 HydrophobicContact CD2-CE 4.04Å
168	Q	98.6	Very high	98.4	Very high	33 Å²	33	48.8 Å²	48.8	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-40.1	-179.7	-69	-65.4	-37.2	0	0	111.4	V164 T170 I171 Q172 M195	V164-Q168 HydrophobicContact CG2-CG 3.93Å; V164-Q168 WeakPolarHBondContact O-CB 3.35Å; V164-Q168 WeakPolarHBondContact O-CG 3.48Å; V164-Q168 PolarHBondContact O-N 3.31Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 PolarHBondContact O-N 3.02Å; Q168-I171 PolarHBondContact O-N 2.91Å; Q168-Q172 WeakPolarHBondContact O-CB 3.47Å; Q168-Q172 PolarHBondContact O-N 2.99Å; Q168-M195 PolarHBondContact NE2-O 3.09Å
169	S	98.6	Very high	98.4	Very high	76 Å²	76	49.7 Å²	49.7	53%	0.531	25%	0.246	S	C	.	.	H	α-helix	trans	-62.7	-38.1	173.9	-60.7	0	0	0	0	111.9	E165 L167 Q172 Y173	E165-S169 WeakPolarHBondContact O-CB 3.47Å; E165-S169 PolarHBondContact O-N 2.95Å; E165-S169 PolarHBondContact O-OG 3.44Å; L167-S169 VanDerWaalsContact C-N 3.32Å; L167-S169 PolarHBondContact O-N 3.04Å; S169-Q172 PolarHBondContact O-N 2.98Å; S169-Y173 WeakPolarHBondContact O-CB 3.36Å; S169-Y173 PolarHBondContact O-N 3.13Å
170	T	98.9	Very high	98.6	Very high	8 Å²	8	46 Å²	46	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-68.6	-42.9	176.9	-65.9	0	0	0	0	112.1	L116 L119 K120 D166 L167 Q168 Q172 Y173 M174	L116-T170 HydrophobicContact CD2-CG2 4.02Å; L116-T170 WeakPolarHBondContact CD2-OG1 3.46Å; L119-T170 HydrophobicContact CB-CG2 3.73Å; L119-T170 HydrophobicContact CD1-CG2 4.04Å; K120-T170 HydrophobicContact CD-CG2 4.43Å; K120-T170 HydrophobicContact CG-CG2 3.81Å; D166-T170 WeakPolarHBondContact O-CB 3.45Å; D166-T170 PolarHBondContact O-N 3.34Å; D166-T170 PolarHBondContact O-OG1 3.34Å; L167-T170 WeakPolarHBondContact O-CB 3.25Å; L167-T170 PolarHBondContact O-N 3.25Å; L167-T170 VanDerWaalsContact O-N 3.1Å; Q168-T170 VanDerWaalsContact C-N 3.3Å; Q168-T170 PolarHBondContact O-N 3.02Å; T170-Q172 VanDerWaalsContact C-N 3.31Å; T170-Q172 PolarHBondContact O-N 3.47Å; T170-Y173 WeakPolarHBondContact O-CB 3.48Å; T170-Y173 PolarHBondContact O-N 3.43Å; T170-M174 WeakPolarHBondContact O-CG 3.25Å; T170-M174 PolarHBondContact O-N 3.07Å
171	I	98.9	Very high	98.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-45.5	173.2	-69.5	168.1	0	0	0	110.4	L167 Q168 Y173 M174 H175 M183 F185 M196 L199 I203 V205	L167-I171 HydrophobicContact CD1-CD1 4.22Å; L167-I171 HydrophobicContact CD1-CG1 4.36Å; L167-I171 HydrophobicContact CG-CD1 4.07Å; L167-I171 WeakPolarHBondContact O-CG1 3.3Å; L167-I171 PolarHBondContact O-N 2.95Å; Q168-I171 PolarHBondContact O-N 2.91Å; I171-Y173 VanDerWaalsContact C-N 3.32Å; I171-Y173 PolarHBondContact O-N 2.92Å; I171-M174 PolarHBondContact O-N 3.16Å; I171-H175 PolarHBondContact O-N 2.77Å; I171-M183 HydrophobicContact CB-CE 4.49Å; I171-M183 HydrophobicContact CG1-CE 4.28Å; I171-M183 HydrophobicContact CG2-CE 3.91Å; I171-F185 HydrophobicContact CD1-CE2 3.88Å; I171-F185 HydrophobicContact CD1-CZ 3.95Å; I171-F185 HydrophobicContact CG1-CE2 4.02Å; I171-F185 HydrophobicContact CG1-CZ 3.97Å; I171-M196 HydrophobicContact CD1-CE 4.16Å; I171-L199 HydrophobicContact CD1-CD1 4.22Å; I171-L199 HydrophobicContact CG2-CD1 4.17Å; I171-I203 HydrophobicContact CG2-CD1 3.7Å; I171-V205 HydrophobicContact CG2-CG2 3.9Å
172	Q	98.8	Very high	98.6	Very high	63 Å²	63	47.8 Å²	47.8	29%	0.294	23%	0.23	S	C	.	.	H	α-helix	trans	-63.2	-38.6	177.8	-174.6	60.4	63.3	0	0	112.2	Q168 S169 T170 H175 Q176	Q168-Q172 WeakPolarHBondContact O-CB 3.47Å; Q168-Q172 PolarHBondContact O-N 2.99Å; S169-Q172 PolarHBondContact O-N 2.98Å; T170-Q172 VanDerWaalsContact C-N 3.31Å; T170-Q172 PolarHBondContact O-N 3.47Å; Q172-H175 PolarHBondContact O-N 3Å; Q172-Q176 WeakPolarHBondContact O-CB 3.29Å; Q172-Q176 VanDerWaalsContact O-CG 3.27Å; Q172-Q176 WeakPolarHBondContact O-CG 3.2Å; Q172-Q176 PolarHBondContact O-N 2.89Å
173	Y	98.8	Very high	98.6	Very high	96 Å²	96	47.8 Å²	47.8	38%	0.376	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-48.2	172.8	173.9	-83.6	0	0	0	111.3	K120 S169 T170 I171 H175 Q176 N177 M179	K120-Y173 HydrophobicContact CB-CD1 4.06Å; K120-Y173 HydrophobicContact CB-CE1 3.8Å; K120-Y173 HydrophobicContact CD-CD1 4.15Å; K120-Y173 HydrophobicContact CD-CE1 4.38Å; K120-Y173 HydrophobicContact CD-CG 4.38Å; K120-Y173 HydrophobicContact CG-CD1 3.61Å; K120-Y173 HydrophobicContact CG-CE1 3.86Å; K120-Y173 HydrophobicContact CG-CG 4.26Å; S169-Y173 WeakPolarHBondContact O-CB 3.36Å; S169-Y173 PolarHBondContact O-N 3.13Å; T170-Y173 WeakPolarHBondContact O-CB 3.48Å; T170-Y173 PolarHBondContact O-N 3.43Å; I171-Y173 VanDerWaalsContact C-N 3.32Å; I171-Y173 PolarHBondContact O-N 2.92Å; Y173-H175 VanDerWaalsContact C-N 3.28Å; Y173-H175 PolarHBondContact O-N 2.85Å; Y173-Q176 PolarHBondContact O-N 3.18Å; Y173-N177 WeakPolarHBondContact CD2-ND2 3.09Å; Y173-N177 HydrophobicContact CE1-CB 4.44Å; Y173-N177 VanDerWaalsContact CE2-ND2 3.29Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.32Å; Y173-N177 WeakPolarHBondContact O-CB 3.25Å; Y173-N177 PolarHBondContact O-N 3.16Å; Y173-N177 PolarHBondContact O-ND2 3.15Å; Y173-M179 HydrophobicContact CD1-SD 4.2Å; Y173-M179 HydrophobicContact CE1-SD 3.87Å
174	M	98.9	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-41.7	178.5	-69.3	176.3	76.2	0	0	111.3	L119 L134 T170 I171 N177 K178 M179 Y180 M183	L119-M174 HydrophobicContact CB-SD 3.78Å; L119-M174 HydrophobicContact CD2-SD 4.36Å; L119-M174 HydrophobicContact CG-SD 4.49Å; L119-M174 WeakPolarHBondContact O-CE 3.43Å; L119-M174 WeakPolarHBondContact O-CG 3.4Å; L134-M174 HydrophobicContact CD1-CE 3.78Å; T170-M174 WeakPolarHBondContact O-CG 3.25Å; T170-M174 PolarHBondContact O-N 3.07Å; I171-M174 PolarHBondContact O-N 3.16Å; M174-N177 PolarHBondContact O-N 2.92Å; M174-K178 PolarHBondContact O-N 3.15Å; M174-K178 VanDerWaalsContact O-N 3.16Å; M174-M179 HydrophobicContact CB-CB 4.13Å; M174-M179 HydrophobicContact CB-SD 4.3Å; M174-M179 HydrophobicContact CG-SD 4Å; M174-M179 WeakPolarHBondContact O-CB 3.25Å; M174-M179 PolarHBondContact O-N 3.48Å; M174-Y180 HydrophobicContact CB-CD1 3.99Å; M174-Y180 HydrophobicContact CB-CE1 3.72Å; M174-Y180 HydrophobicContact CE-CD1 4.33Å; M174-M183 HydrophobicContact CE-SD 3.75Å; M174-M183 HydrophobicContact SD-CE 4.34Å; M174-M183 HydrophobicContact SD-SD 4.06Å
175	H	98.7	Very high	98.7	Very high	66 Å²	66	46.7 Å²	46.7	31%	0.306	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-51.1	175.8	-175.8	65.9	0	0	0	111.9	I171 Q172 Y173 N177 K178 Y180 I203	I171-H175 PolarHBondContact O-N 2.77Å; Q172-H175 PolarHBondContact O-N 3Å; Y173-H175 VanDerWaalsContact C-N 3.28Å; Y173-H175 PolarHBondContact O-N 2.85Å; H175-N177 PolarHBondContact O-N 3Å; H175-K178 PolarHBondContact O-N 2.92Å; H175-Y180 HydrophobicContact CB-CE1 4.31Å; H175-Y180 WeakPolarHBondContact CB-OH 3.21Å; H175-I203 HydrophobicContact CB-CB 4.48Å; H175-I203 PolarHBondContact ND1-O 2.83Å
176	Q	98.7	Very high	98.7	Very high	130 Å²	130	42.9 Å²	42.9	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-62.2	-33.5	-178.7	-73.6	169.8	3.3	0	0	112.5	Q172 Y173 K178	Q172-Q176 WeakPolarHBondContact O-CB 3.29Å; Q172-Q176 VanDerWaalsContact O-CG 3.27Å; Q172-Q176 WeakPolarHBondContact O-CG 3.2Å; Q172-Q176 PolarHBondContact O-N 2.89Å; Y173-Q176 PolarHBondContact O-N 3.18Å; Q176-K178 VanDerWaalsContact C-N 3.31Å
177	N	98.8	Very high	98.8	Very high	81 Å²	81	40.4 Å²	40.4	43%	0.433	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	9.4	179	-68.5	-79.2	0	0	0	113.3	Y173 M174 H175 M179	Y173-N177 WeakPolarHBondContact CD2-ND2 3.09Å; Y173-N177 HydrophobicContact CE1-CB 4.44Å; Y173-N177 VanDerWaalsContact CE2-ND2 3.29Å; Y173-N177 WeakPolarHBondContact CE2-ND2 3.32Å; Y173-N177 WeakPolarHBondContact O-CB 3.25Å; Y173-N177 PolarHBondContact O-N 3.16Å; Y173-N177 PolarHBondContact O-ND2 3.15Å; M174-N177 PolarHBondContact O-N 2.92Å; H175-N177 PolarHBondContact O-N 3Å; N177-M179 VanDerWaalsContact C-N 3.25Å; N177-M179 HydrophobicContact CB-CG 3.91Å; N177-M179 HydrophobicContact CB-SD 4.32Å; N177-M179 PolarHBondContact O-N 3.15Å
178	K	98.6	Very high	98.8	Very high	148 Å²	148	40.3 Å²	40.3	64%	0.643	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	43	177.2	-51.4	-177.7	179.8	179.1	0	112.8	G137 P138 M174 H175 Q176 Y180	G137-K178 CarbonylContact C-O 3.46Å; G137-K178 VanDerWaalsContact C-O 3.27Å; P138-K178 VanDerWaalsContact CA-O 3.29Å; P138-K178 WeakPolarHBondContact CA-O 3.44Å; P138-K178 HydrophobicContact CB-CB 4.09Å; P138-K178 WeakPolarHBondContact CD-O 3.06Å; M174-K178 PolarHBondContact O-N 3.15Å; M174-K178 VanDerWaalsContact O-N 3.16Å; H175-K178 PolarHBondContact O-N 2.92Å; Q176-K178 VanDerWaalsContact C-N 3.31Å; K178-Y180 PolarHBondContact O-N 3.39Å
179	M	98.7	Very high	98.8	Very high	22 Å²	22	38.7 Å²	38.7	11%	0.108	19%	0.185	C	C	.	.			trans	-81.6	0.3	-177.2	-61.6	-172.7	73.4	0	0	113.4	K120 S136 G137 Y173 M174 N177	K120-M179 WeakPolarHBondContact O-CE 3.47Å; S136-M179 CarbonylContact C-O 3.56Å; S136-M179 WeakPolarHBondContact CB-O 3.27Å; S136-M179 PolarHBondContact OG-O 3.2Å; G137-M179 CarbonylContact O-C 3.39Å; Y173-M179 HydrophobicContact CD1-SD 4.2Å; Y173-M179 HydrophobicContact CE1-SD 3.87Å; M174-M179 HydrophobicContact CB-CB 4.13Å; M174-M179 HydrophobicContact CB-SD 4.3Å; M174-M179 HydrophobicContact CG-SD 4Å; M174-M179 WeakPolarHBondContact O-CB 3.25Å; M174-M179 PolarHBondContact O-N 3.48Å; N177-M179 VanDerWaalsContact C-N 3.25Å; N177-M179 HydrophobicContact CB-CG 3.91Å; N177-M179 HydrophobicContact CB-SD 4.32Å; N177-M179 PolarHBondContact O-N 3.15Å
180	Y	98.7	Very high	98.8	Very high	13 Å²	13	35.2 Å²	35.2	5%	0.051	16%	0.16	C	C	.	.			trans	-158.1	155.4	175.4	60.8	-90.8	0	0	0	110.5	G137 M174 H175 K178 M183 I203 D204 V205	G137-Y180 WeakPolarHBondContact O-CA 3.39Å; G137-Y180 PolarHBondContact O-N 2.75Å; M174-Y180 HydrophobicContact CB-CD1 3.99Å; M174-Y180 HydrophobicContact CB-CE1 3.72Å; M174-Y180 HydrophobicContact CE-CD1 4.33Å; H175-Y180 HydrophobicContact CB-CE1 4.31Å; H175-Y180 WeakPolarHBondContact CB-OH 3.21Å; K178-Y180 PolarHBondContact O-N 3.39Å; Y180-M183 HydrophobicContact CD1-CB 4.35Å; Y180-M183 HydrophobicContact CD1-CE 4Å; Y180-M183 HydrophobicContact CD1-SD 4.25Å; Y180-M183 HydrophobicContact CD2-CB 3.79Å; Y180-M183 HydrophobicContact CE1-CE 3.49Å; Y180-M183 VanDerWaalsContact CE1-CE 3.49Å; Y180-M183 HydrophobicContact CE1-SD 4.33Å; Y180-M183 HydrophobicContact CE2-CB 4Å; Y180-M183 HydrophobicContact CE2-CE 4.44Å; Y180-M183 HydrophobicContact CG-CB 3.98Å; Y180-I203 VanDerWaalsContact CE2-O 3.28Å; Y180-I203 WeakPolarHBondContact CE2-O 3.29Å; Y180-I203 PolarHBondContact OH-O 3.29Å; Y180-D204 HydrophobicContact CE2-CB 4.1Å; Y180-D204 WeakPolarHBondContact CE2-O 3.1Å; Y180-V205 HydrophobicContact CE2-CG2 4.08Å; Y180-V205 WeakPolarHBondContact OH-CG2 3.47Å
181	K	98.3	Very high	98.8	Very high	60 Å²	60	35.6 Å²	35.6	26%	0.261	16%	0.161	S	C	.	.	S	Bend	trans	-83.6	-45.7	162.8	-168.9	177.3	-175.1	172	0	110.9	E25 P138 D140	E25-K181 IonicContact OE2-NZ 2.95Å; E25-K181 PolarHBondContact OE2-NZ 3.08Å; P138-K181 WeakPolarHBondContact O-CB 3.27Å; D140-K181 WeakPolarHBondContact O-CB 3.45Å; D140-K181 PolarHBondContact O-N 2.88Å
182	K	98.7	Very high	98.8	Very high	41 Å²	41	35.5 Å²	35.5	18%	0.178	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.8	177.1	-54.5	-66	169.5	-156.4	0	109.6	H141 V142 D204 L276 M279 F284	H141-K182 WeakPolarHBondContact CA-O 3.44Å; V142-K182 PolarHBondContact N-O 2.89Å; K182-D204 HydrophobicContact CD-CB 4.04Å; K182-D204 IonicContact NZ-OD1 3.84Å; K182-D204 PolarHBondContact NZ-OD1 3.11Å; K182-D204 IonicContact NZ-OD2 3.75Å; K182-D204 PolarHBondContact NZ-OD2 3Å; K182-L276 HydrophobicContact CB-CD2 4.16Å; K182-L276 HydrophobicContact CD-CD1 3.93Å; K182-L276 HydrophobicContact CD-CD2 3.92Å; K182-L276 HydrophobicContact CD-CG 3.86Å; K182-M279 HydrophobicContact CB-SD 4.4Å; K182-M279 HydrophobicContact CD-SD 4.36Å; K182-M279 HydrophobicContact CG-CE 4.11Å; K182-M279 HydrophobicContact CG-SD 3.89Å; K182-F284 HydrophobicContact CB-CE1 3.97Å; K182-F284 HydrophobicContact CB-CZ 3.79Å
183	M	98.9	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.2	178.7	-179	165.3	57.5	0	0	111.3	V142 I171 M174 Y180 F185 D204 V205 Y206	V142-M183 HydrophobicContact CB-CB 4.3Å; V142-M183 HydrophobicContact CB-CG 3.97Å; V142-M183 HydrophobicContact CB-SD 4.27Å; V142-M183 HydrophobicContact CG1-CG 4.17Å; V142-M183 HydrophobicContact CG1-SD 4.12Å; V142-M183 CarbonylContact O-C 3.53Å; V142-M183 VanDerWaalsContact O-CA 3.24Å; V142-M183 WeakPolarHBondContact O-CA 3.48Å; I171-M183 HydrophobicContact CB-CE 4.49Å; I171-M183 HydrophobicContact CG1-CE 4.28Å; I171-M183 HydrophobicContact CG2-CE 3.91Å; M174-M183 HydrophobicContact CE-SD 3.75Å; M174-M183 HydrophobicContact SD-CE 4.34Å; M174-M183 HydrophobicContact SD-SD 4.06Å; Y180-M183 HydrophobicContact CD1-CB 4.35Å; Y180-M183 HydrophobicContact CD1-CE 4Å; Y180-M183 HydrophobicContact CD1-SD 4.25Å; Y180-M183 HydrophobicContact CD2-CB 3.79Å; Y180-M183 HydrophobicContact CE1-CE 3.49Å; Y180-M183 VanDerWaalsContact CE1-CE 3.49Å; Y180-M183 HydrophobicContact CE1-SD 4.33Å; Y180-M183 HydrophobicContact CE2-CB 4Å; Y180-M183 HydrophobicContact CE2-CE 4.44Å; Y180-M183 HydrophobicContact CG-CB 3.98Å; M183-F185 HydrophobicContact CE-CE2 3.73Å; M183-F185 HydrophobicContact CG-CD2 4.14Å; M183-F185 HydrophobicContact CG-CE2 3.8Å; M183-F185 HydrophobicContact SD-CD2 4.49Å; M183-F185 HydrophobicContact SD-CE2 3.58Å; M183-F185 VanDerWaalsContact SD-CE2 3.58Å; M183-F185 HydrophobicContact SD-CZ 4.16Å; M183-D204 PolarHBondContact N-O 3.38Å; M183-V205 HydrophobicContact CB-CG1 4.48Å; M183-V205 HydrophobicContact CB-CG2 4.29Å; M183-V205 HydrophobicContact CE-CG1 4.15Å; M183-V205 HydrophobicContact CE-CG2 3.5Å; M183-V205 HydrophobicContact CG-CG1 4.48Å; M183-V205 CarbonylContact O-C 3.4Å; M183-V205 VanDerWaalsContact O-CA 3.3Å; M183-V205 WeakPolarHBondContact O-CA 3.38Å; M183-Y206 PolarHBondContact O-N 2.74Å
184	V	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.6	178.9	173.7	0	0	0	0	110.3	V142 F143 V144 Y186 Y206 L252 F284	V142-V184 PolarHBondContact O-N 2.6Å; F143-V184 CarbonylContact C-O 3.51Å; F143-V184 WeakPolarHBondContact CA-O 3.33Å; F143-V184 HydrophobicContact CD2-CB 4.12Å; F143-V184 HydrophobicContact CD2-CG1 3.94Å; F143-V184 HydrophobicContact CE2-CG1 4.13Å; V144-V184 PolarHBondContact N-O 2.68Å; V184-Y186 HydrophobicContact CG1-CD1 3.9Å; V184-Y186 HydrophobicContact CG1-CE1 3.72Å; V184-Y206 CarbonylContact C-O 3.56Å; V184-Y206 VanDerWaalsContact CA-O 3.23Å; V184-Y206 WeakPolarHBondContact CA-O 3.49Å; V184-Y206 HydrophobicContact CG1-CD1 4.3Å; V184-Y206 HydrophobicContact CG2-CD1 4.34Å; V184-L252 HydrophobicContact CG2-CD1 3.77Å; V184-F284 HydrophobicContact CB-CD1 3.88Å; V184-F284 HydrophobicContact CB-CE1 4.17Å; V184-F284 HydrophobicContact CB-CG 4.23Å; V184-F284 HydrophobicContact CG2-CD1 3.52Å; V184-F284 HydrophobicContact CG2-CD2 4Å; V184-F284 HydrophobicContact CG2-CE1 3.42Å; V184-F284 VanDerWaalsContact CG2-CE1 3.42Å; V184-F284 HydrophobicContact CG2-CE2 3.9Å; V184-F284 HydrophobicContact CG2-CG 3.82Å; V184-F284 HydrophobicContact CG2-CZ 3.61Å
185	F	98.9	Very high	98.8	Very high	4 Å²	4	29 Å²	29	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.2	173.1	-82.7	-96.6	0	0	0	111.6	V144 L167 I171 M183 M196 V205 Y206 A207 T208	V144-F185 HydrophobicContact CB-CD1 3.61Å; V144-F185 HydrophobicContact CB-CE1 3.55Å; V144-F185 HydrophobicContact CB-CG 4.14Å; V144-F185 HydrophobicContact CB-CZ 4.03Å; V144-F185 HydrophobicContact CG1-CD1 3.76Å; V144-F185 HydrophobicContact CG1-CE1 3.49Å; V144-F185 VanDerWaalsContact CG1-CE1 3.49Å; V144-F185 HydrophobicContact CG1-CZ 4.29Å; V144-F185 HydrophobicContact CG2-CD1 4.32Å; V144-F185 HydrophobicContact CG2-CE1 3.86Å; V144-F185 HydrophobicContact CG2-CE2 4.28Å; V144-F185 HydrophobicContact CG2-CZ 3.83Å; V144-F185 CarbonylContact O-C 3.54Å; V144-F185 VanDerWaalsContact O-CA 3.29Å; V144-F185 WeakPolarHBondContact O-CA 3.17Å; L167-F185 HydrophobicContact CD1-CE1 4.26Å; L167-F185 HydrophobicContact CD1-CZ 4.44Å; I171-F185 HydrophobicContact CD1-CE2 3.88Å; I171-F185 HydrophobicContact CD1-CZ 3.95Å; I171-F185 HydrophobicContact CG1-CE2 4.02Å; I171-F185 HydrophobicContact CG1-CZ 3.97Å; M183-F185 HydrophobicContact CE-CE2 3.73Å; M183-F185 HydrophobicContact CG-CD2 4.14Å; M183-F185 HydrophobicContact CG-CE2 3.8Å; M183-F185 HydrophobicContact SD-CD2 4.49Å; M183-F185 HydrophobicContact SD-CE2 3.58Å; M183-F185 VanDerWaalsContact SD-CE2 3.58Å; M183-F185 HydrophobicContact SD-CZ 4.16Å; F185-M196 HydrophobicContact CB-CE 3.87Å; F185-M196 HydrophobicContact CD1-CE 3.71Å; F185-M196 HydrophobicContact CD2-CE 4.12Å; F185-M196 HydrophobicContact CE1-CE 4.26Å; F185-M196 HydrophobicContact CG-CE 3.64Å; F185-V205 HydrophobicContact CD2-CG1 3.84Å; F185-V205 HydrophobicContact CE2-CG1 4.18Å; F185-Y206 PolarHBondContact N-O 3.19Å; F185-A207 HydrophobicContact CB-CB 3.88Å; F185-A207 CarbonylContact O-C 3.57Å; F185-A207 WeakPolarHBondContact O-CA 3.27Å; F185-T208 PolarHBondContact O-N 3.04Å
186	Y	98.9	Very high	98.8	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130	164.3	-77.7	12.5	0	0	0	108.7	F143 V144 Y145 F146 V184 T208 Y234 W238 L252 Q255	F143-Y186 HydrophobicContact CE2-CD1 4.04Å; F143-Y186 AromaticContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CD2 3.9Å; F143-Y186 HydrophobicContact CE2-CE1 4.46Å; F143-Y186 HydrophobicContact CE2-CE2 4.32Å; F143-Y186 AromaticContact CE2-CG 3.75Å; F143-Y186 HydrophobicContact CE2-CG 3.75Å; F143-Y186 AromaticContact CZ-CD2 3.86Å; F143-Y186 HydrophobicContact CZ-CD2 3.86Å; F143-Y186 HydrophobicContact CZ-CE2 4.41Å; F143-Y186 HydrophobicContact CZ-CG 4.05Å; V144-Y186 PolarHBondContact O-N 3.2Å; Y145-Y186 WeakPolarHBondContact CA-O 3.47Å; F146-Y186 PolarHBondContact N-O 2.89Å; V184-Y186 HydrophobicContact CG1-CD1 3.9Å; V184-Y186 HydrophobicContact CG1-CE1 3.72Å; Y186-T208 HydrophobicContact CD1-CG2 4.37Å; Y186-T208 WeakPolarHBondContact CD1-OG1 3.41Å; Y186-T208 HydrophobicContact CE1-CG2 3.97Å; Y186-T208 VanDerWaalsContact CE1-OG1 3.3Å; Y186-T208 WeakPolarHBondContact CE1-OG1 3.49Å; Y186-Y234 VanDerWaalsContact CB-OH 3.29Å; Y186-Y234 WeakPolarHBondContact CB-OH 3.32Å; Y186-Y234 VanDerWaalsContact CG-OH 3.3Å; Y186-W238 AromaticContact CD2-CD2 3.8Å; Y186-W238 HydrophobicContact CD2-CD2 3.8Å; Y186-W238 HydrophobicContact CD2-CE3 4.21Å; Y186-W238 AromaticContact CD2-CG 3.93Å; Y186-W238 HydrophobicContact CD2-CG 3.93Å; Y186-W238 HydrophobicContact CE2-CB 4.23Å; Y186-W238 AromaticContact CE2-CD2 3.99Å; Y186-W238 HydrophobicContact CE2-CD2 3.99Å; Y186-W238 HydrophobicContact CE2-CE3 4.1Å; Y186-W238 HydrophobicContact CE2-CG 4.04Å; Y186-L252 WeakPolarHBondContact OH-CD2 3.31Å; Y186-Q255 VanDerWaalsContact CE2-OE1 3.28Å; Y186-Q255 PolarHBondContact OH-OE1 2.83Å
187	I	99	Very high	98.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	108.8	-175.4	-48.4	-179.9	0	0	0	110.1	F146 L155 A189 M195 M196 T208 T209 A210	F146-I187 HydrophobicContact CD1-CG2 4.14Å; L155-I187 HydrophobicContact CD1-CG2 4.19Å; L155-I187 HydrophobicContact CD2-CG2 3.75Å; I187-A189 HydrophobicContact CG2-CB 4.38Å; I187-M195 HydrophobicContact CD1-CB 4.25Å; I187-M196 HydrophobicContact CD1-CE 3.56Å; I187-M196 HydrophobicContact CD1-CG 3.81Å; I187-T208 PolarHBondContact N-O 3.42Å; I187-T208 VanDerWaalsContact N-O 3.08Å; I187-T209 HydrophobicContact CB-CG2 4.29Å; I187-T209 HydrophobicContact CD1-CG2 4.28Å; I187-T209 CarbonylContact O-C 3.56Å; I187-T209 WeakPolarHBondContact O-CA 3.5Å; I187-A210 PolarHBondContact O-N 3.1Å
188	E	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	106.7	164.4	174.3	60.7	-86.4	0	0	109	Y145 F146 T147 D148 A210 S217 D232 Y234 S235	Y145-E188 HydrophobicContact CE2-CB 4.36Å; F146-E188 PolarHBondContact O-N 3.05Å; T147-E188 WeakPolarHBondContact CA-O 3.06Å; T147-E188 WeakPolarHBondContact OG1-CG 3.24Å; D148-E188 PolarHBondContact N-O 3.05Å; E188-A210 WeakPolarHBondContact OE1-CB 3.37Å; E188-S217 WeakPolarHBondContact OE1-CB 3.41Å; E188-S217 PolarHBondContact OE1-OG 2.86Å; E188-D232 HydrophobicContact CG-CB 3.64Å; E188-D232 WeakPolarHBondContact OE2-CB 3.48Å; E188-Y234 HydrophobicContact CB-CD1 3.98Å; E188-Y234 HydrophobicContact CB-CE1 4.37Å; E188-Y234 WeakPolarHBondContact OE2-CB 3.44Å; E188-Y234 PolarHBondContact OE2-N 3.47Å; E188-S235 VanDerWaalsContact CB-OG 3.28Å; E188-S235 WeakPolarHBondContact CB-OG 3.48Å; E188-S235 VanDerWaalsContact CG-OG 3.27Å; E188-S235 WeakPolarHBondContact CG-OG 3.42Å; E188-S235 PolarHBondContact OE2-N 3.06Å
189	A	98.9	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-169.1	157.9	170.1	0	0	0	0	0	111.6	D148 L155 I187 S192	D148-A189 VanDerWaalsContact O-CA 3.22Å; D148-A189 WeakPolarHBondContact O-CA 3.16Å; D148-A189 WeakPolarHBondContact O-CB 3.4Å; L155-A189 HydrophobicContact CD2-CB 3.63Å; I187-A189 HydrophobicContact CG2-CB 4.38Å; A189-S192 WeakPolarHBondContact O-CB 3.31Å; A189-S192 PolarHBondContact O-N 2.67Å; A189-S192 PolarHBondContact O-OG 3.17Å
190	C	98.8	Very high	98.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	138.1	165.5	-58.1	0	0	0	0	110.4	G150 S192 S217	G150-C190 CarbonylContact C-O 3.5Å; G150-C190 WeakPolarHBondContact CA-O 3.47Å; C190-S192 PolarHBondContact O-N 2.91Å; C190-S217 PolarHBondContact N-OG 3.11Å
191	E	98.8	Very high	98.4	Very high	16 Å²	16	25.6 Å²	25.6	8%	0.075	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	22.9	-177.6	-59.7	79	-158.4	0	0	114.7	P152 G193 S194 N212 E215 R407	P152-E191 HydrophobicContact CG-CG 4.29Å; E191-G193 PolarHBondContact O-N 2.84Å; E191-G193 VanDerWaalsContact O-N 3.07Å; E191-S194 VanDerWaalsContact O-CB 3.23Å; E191-S194 WeakPolarHBondContact O-CB 3.37Å; E191-S194 PolarHBondContact O-N 3.4Å; E191-S194 PolarHBondContact O-OG 3.07Å; E191-N212 CarbonylContact C-O 3.57Å; E191-N212 WeakPolarHBondContact CA-O 3.18Å; E191-E215 PolarHBondContact N-O 3.02Å; E191-R407 IonicContact OE1-CZ 2.92Å; E191-R407 IonicContact OE1-NH1 2.8Å; E191-R407 PolarHBondContact OE1-NH1 3.3Å; E191-R407 IonicContact OE1-NH2 3.62Å; E191-R407 IonicContact OE2-CZ 3.61Å; E191-R407 IonicContact OE2-NH1 3.39Å; E191-R407 PolarHBondContact OE2-NH1 3.08Å; E191-R407 IonicContact OE2-NH2 3.54Å; E191-R407 PolarHBondContact OE2-NH2 3.02Å
192	S	98.9	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.5	-175.3	42.3	0	0	0	0	113.7	A189 C190 S194 M195 T209 A210 A211	A189-S192 WeakPolarHBondContact O-CB 3.31Å; A189-S192 PolarHBondContact O-N 2.67Å; A189-S192 PolarHBondContact O-OG 3.17Å; C190-S192 PolarHBondContact O-N 2.91Å; S192-S194 PolarHBondContact O-N 3.41Å; S192-S194 VanDerWaalsContact O-N 3.15Å; S192-M195 WeakPolarHBondContact O-CB 3.29Å; S192-M195 PolarHBondContact O-N 3.27Å; S192-T209 WeakPolarHBondContact OG-CB 3.38Å; S192-A210 PolarHBondContact OG-N 2.02Å; S192-A211 PolarHBondContact OG-N 3.2Å; S192-A211 VanDerWaalsContact OG-N 3.15Å
193	G	98.8	Very high	98.4	Very high	1 Å²	1	27 Å²	27	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-56	-29.2	172.2	0	0	0	0	0	113.7	E191 M195 M196 K197 A211	E191-G193 PolarHBondContact O-N 2.84Å; E191-G193 VanDerWaalsContact O-N 3.07Å; G193-M195 PolarHBondContact O-N 3.38Å; G193-M196 PolarHBondContact O-N 2.92Å; G193-K197 PolarHBondContact O-N 2.87Å; G193-K197 VanDerWaalsContact O-N 3.11Å; G193-A211 WeakPolarHBondContact CA-O 3.49Å; G193-A211 PolarHBondContact N-O 2.87Å
194	S	98.7	Very high	98.4	Very high	21 Å²	21	29.2 Å²	29.2	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-66.6	-22.4	177.7	71	0	0	0	0	113.3	G153 E191 S192 M196	G153-S194 PolarHBondContact N-OG 2.99Å; E191-S194 VanDerWaalsContact O-CB 3.23Å; E191-S194 WeakPolarHBondContact O-CB 3.37Å; E191-S194 PolarHBondContact O-N 3.4Å; E191-S194 PolarHBondContact O-OG 3.07Å; S192-S194 PolarHBondContact O-N 3.41Å; S192-S194 VanDerWaalsContact O-N 3.15Å; S194-M196 VanDerWaalsContact C-N 3.34Å
195	M	98.8	Very high	98.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-75.9	-23.3	178.4	-61.9	-58.6	-65.5	0	0	113.1	I154 L155 V164 L167 Q168 I187 S192 G193	I154-M195 PolarHBondContact N-SD 3.36Å; I154-M195 VanDerWaalsContact N-SD 3.36Å; L155-M195 HydrophobicContact CD1-CE 3.98Å; L155-M195 HydrophobicContact CD1-CG 4.24Å; L155-M195 HydrophobicContact CD2-CG 3.95Å; L155-M195 HydrophobicContact CG-CE 3.8Å; L155-M195 HydrophobicContact CG-CG 3.83Å; L155-M195 HydrophobicContact CG-SD 4.05Å; V164-M195 HydrophobicContact CB-CE 3.89Å; V164-M195 HydrophobicContact CB-SD 3.86Å; V164-M195 HydrophobicContact CG2-CE 4.33Å; V164-M195 WeakPolarHBondContact CG2-O 3.37Å; V164-M195 HydrophobicContact CG2-SD 4.33Å; L167-M195 HydrophobicContact CB-CE 4.45Å; L167-M195 HydrophobicContact CD2-CE 3.88Å; Q168-M195 PolarHBondContact NE2-O 3.09Å; I187-M195 HydrophobicContact CD1-CB 4.25Å; S192-M195 WeakPolarHBondContact O-CB 3.29Å; S192-M195 PolarHBondContact O-N 3.27Å; G193-M195 PolarHBondContact O-N 3.38Å
196	M	98.6	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-121.9	-1	-171	-66.5	-61.8	178.4	0	0	113.9	L167 I171 F185 I187 G193 S194 K198 L199 A207 T209 F271	L167-M196 HydrophobicContact CD2-CE 4.04Å; I171-M196 HydrophobicContact CD1-CE 4.16Å; F185-M196 HydrophobicContact CB-CE 3.87Å; F185-M196 HydrophobicContact CD1-CE 3.71Å; F185-M196 HydrophobicContact CD2-CE 4.12Å; F185-M196 HydrophobicContact CE1-CE 4.26Å; F185-M196 HydrophobicContact CG-CE 3.64Å; I187-M196 HydrophobicContact CD1-CE 3.56Å; I187-M196 HydrophobicContact CD1-CG 3.81Å; G193-M196 PolarHBondContact O-N 2.92Å; S194-M196 VanDerWaalsContact C-N 3.34Å; M196-K198 PolarHBondContact O-N 3.41Å; M196-K198 VanDerWaalsContact O-N 3.15Å; M196-L199 WeakPolarHBondContact O-CB 3.48Å; M196-L199 PolarHBondContact O-N 3.26Å; M196-L199 HydrophobicContact SD-CB 4.35Å; M196-L199 HydrophobicContact SD-CD1 4.41Å; M196-L199 HydrophobicContact SD-CD2 3.97Å; M196-L199 HydrophobicContact SD-CG 4.48Å; M196-A207 HydrophobicContact CB-CB 4.28Å; M196-A207 HydrophobicContact CE-CB 4.44Å; M196-A207 HydrophobicContact CG-CB 3.81Å; M196-A207 HydrophobicContact SD-CB 4.03Å; M196-T209 HydrophobicContact CB-CG2 4.36Å; M196-T209 HydrophobicContact CG-CG2 4.24Å; M196-F271 HydrophobicContact CB-CB 3.94Å; M196-F271 HydrophobicContact CB-CD1 4.4Å; M196-F271 HydrophobicContact CB-CD2 3.46Å; M196-F271 VanDerWaalsContact CB-CD2 3.46Å; M196-F271 HydrophobicContact CB-CE2 4Å; M196-F271 HydrophobicContact CB-CG 3.69Å; M196-F271 WeakPolarHBondContact O-CD1 3.25Å; M196-F271 WeakPolarHBondContact O-CG 3.48Å
197	K	96.6	Very high	98.4	Very high	90 Å²	90	28.9 Å²	28.9	39%	0.391	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35.1	-178.9	-168.9	169.1	-172.9	162.6	0	114.3	G193 D213 D376	G193-K197 PolarHBondContact O-N 2.87Å; G193-K197 VanDerWaalsContact O-N 3.11Å; K197-D213 IonicContact NZ-OD2 3.46Å; K197-D213 PolarHBondContact NZ-OD2 3.18Å; K197-D376 WeakPolarHBondContact CE-OD2 3.07Å; K197-D376 IonicContact NZ-OD1 3.99Å; K197-D376 PolarHBondContact NZ-OD1 3.2Å; K197-D376 IonicContact NZ-OD2 3.78Å; K197-D376 PolarHBondContact NZ-OD2 3.3Å
198	K	96.1	Very high	98.4	Very high	127 Å²	127	29 Å²	29	55%	0.552	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	10	179.8	-65.7	-177.7	-175	167.7	0	113.8	M196 P200 L377 H380	M196-K198 PolarHBondContact O-N 3.41Å; M196-K198 VanDerWaalsContact O-N 3.15Å; K198-P200 WeakPolarHBondContact O-CD 3.37Å; K198-L377 PolarHBondContact NZ-O 2.94Å; K198-H380 PolarHBondContact NZ-NE2 3.24Å; K198-H380 VanDerWaalsContact NZ-NE2 3.17Å
199	L	98.2	Very high	98.4	Very high	14 Å²	14	29 Å²	29	7%	0.073	15%	0.149	C	C	.	.			trans	-63.7	120.8	179.4	-177.3	68.3	0	0	0	110.2	I171 M196 I203 V205 A207 F271	I171-L199 HydrophobicContact CD1-CD1 4.22Å; I171-L199 HydrophobicContact CG2-CD1 4.17Å; M196-L199 WeakPolarHBondContact O-CB 3.48Å; M196-L199 PolarHBondContact O-N 3.26Å; M196-L199 HydrophobicContact SD-CB 4.35Å; M196-L199 HydrophobicContact SD-CD1 4.41Å; M196-L199 HydrophobicContact SD-CD2 3.97Å; M196-L199 HydrophobicContact SD-CG 4.48Å; L199-I203 HydrophobicContact CD1-CD1 4.02Å; L199-V205 HydrophobicContact CD1-CB 4.23Å; L199-V205 HydrophobicContact CD1-CG1 4.14Å; L199-V205 HydrophobicContact CD2-CB 4.18Å; L199-V205 HydrophobicContact CD2-CG1 3.83Å; L199-A207 HydrophobicContact CD2-CB 3.98Å; L199-F271 HydrophobicContact CD2-CB 4.37Å
200	P	97.5	Very high	98.4	Very high	44 Å²	44	29 Å²	29	29%	0.286	15%	0.149	S	C	.	.			trans	-64.3	149	178.9	-19.2	30.9	0	0	0	112.6	K198 N202 I203	K198-P200 WeakPolarHBondContact O-CD 3.37Å; P200-N202 WeakPolarHBondContact CB-OD1 3.26Å; P200-I203 HydrophobicContact CB-CD1 4.33Å; P200-I203 HydrophobicContact CB-CG1 4.12Å; P200-I203 HydrophobicContact CB-CG2 4.22Å; P200-I203 HydrophobicContact CG-CD1 4.17Å; P200-I203 HydrophobicContact CG-CG1 4.49Å
201	D	97.8	Very high	98.4	Very high	113 Å²	113	28.9 Å²	28.9	60%	0.604	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.5	-179.8	65.9	-7	0	0	0	113.9	N273	D201-N273 WeakPolarHBondContact O-CB 3.27Å; D201-N273 VanDerWaalsContact O-CG 3.32Å
202	N	97.7	Very high	98.4	Very high	123 Å²	123	29.5 Å²	29.5	66%	0.658	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.1	16	-175.3	68.8	-25.4	0	0	0	113.8	P200	P200-N202 WeakPolarHBondContact CB-OD1 3.26Å
203	I	98.4	Very high	98.3	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.031	16%	0.16	C	C	.	.	S	Bend	trans	-116	15	-178.9	61.3	163.2	0	0	0	113.7	I171 H175 Y180 L199 P200 V205	I171-I203 HydrophobicContact CG2-CD1 3.7Å; H175-I203 HydrophobicContact CB-CB 4.48Å; H175-I203 PolarHBondContact ND1-O 2.83Å; Y180-I203 VanDerWaalsContact CE2-O 3.28Å; Y180-I203 WeakPolarHBondContact CE2-O 3.29Å; Y180-I203 PolarHBondContact OH-O 3.29Å; L199-I203 HydrophobicContact CD1-CD1 4.02Å; P200-I203 HydrophobicContact CB-CD1 4.33Å; P200-I203 HydrophobicContact CB-CG1 4.12Å; P200-I203 HydrophobicContact CB-CG2 4.22Å; P200-I203 HydrophobicContact CG-CD1 4.17Å; P200-I203 HydrophobicContact CG-CG1 4.49Å; I203-V205 VanDerWaalsContact C-N 3.28Å; I203-V205 HydrophobicContact CD1-CB 4.41Å; I203-V205 HydrophobicContact CD1-CG2 3.81Å; I203-V205 HydrophobicContact CG1-CB 4.33Å; I203-V205 HydrophobicContact CG1-CG2 3.9Å; I203-V205 PolarHBondContact O-N 3.02Å
204	D	98.5	Very high	98.2	Very high	48 Å²	48	34.9 Å²	34.9	26%	0.257	18%	0.178	S	C	.	.	S	Bend	trans	59.4	35.6	175.8	-74.6	-34.2	0	0	0	114.8	Y180 K182 M183 N273 L276	Y180-D204 HydrophobicContact CE2-CB 4.1Å; Y180-D204 WeakPolarHBondContact CE2-O 3.1Å; K182-D204 HydrophobicContact CD-CB 4.04Å; K182-D204 IonicContact NZ-OD1 3.84Å; K182-D204 PolarHBondContact NZ-OD1 3.11Å; K182-D204 IonicContact NZ-OD2 3.75Å; K182-D204 PolarHBondContact NZ-OD2 3Å; M183-D204 PolarHBondContact N-O 3.38Å; D204-N273 PolarHBondContact OD1-ND2 3.15Å; D204-L276 WeakPolarHBondContact O-CD2 3.37Å
205	V	98.9	Very high	98.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.2	172.1	-170.8	0	0	0	0	109.4	I171 Y180 M183 F185 L199 I203 G272 N273	I171-V205 HydrophobicContact CG2-CG2 3.9Å; Y180-V205 HydrophobicContact CE2-CG2 4.08Å; Y180-V205 WeakPolarHBondContact OH-CG2 3.47Å; M183-V205 HydrophobicContact CB-CG1 4.48Å; M183-V205 HydrophobicContact CB-CG2 4.29Å; M183-V205 HydrophobicContact CE-CG1 4.15Å; M183-V205 HydrophobicContact CE-CG2 3.5Å; M183-V205 HydrophobicContact CG-CG1 4.48Å; M183-V205 CarbonylContact O-C 3.4Å; M183-V205 VanDerWaalsContact O-CA 3.3Å; M183-V205 WeakPolarHBondContact O-CA 3.38Å; F185-V205 HydrophobicContact CD2-CG1 3.84Å; F185-V205 HydrophobicContact CE2-CG1 4.18Å; L199-V205 HydrophobicContact CD1-CB 4.23Å; L199-V205 HydrophobicContact CD1-CG1 4.14Å; L199-V205 HydrophobicContact CD2-CB 4.18Å; L199-V205 HydrophobicContact CD2-CG1 3.83Å; I203-V205 VanDerWaalsContact C-N 3.28Å; I203-V205 HydrophobicContact CD1-CB 4.41Å; I203-V205 HydrophobicContact CD1-CG2 3.81Å; I203-V205 HydrophobicContact CG1-CB 4.33Å; I203-V205 HydrophobicContact CG1-CG2 3.9Å; I203-V205 PolarHBondContact O-N 3.02Å; V205-G272 CarbonylContact O-C 3.54Å; V205-G272 WeakPolarHBondContact O-CA 3.39Å; V205-N273 PolarHBondContact O-N 3.33Å
206	Y	98.9	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141	168.8	174.7	-111.6	0	0	0	109	M183 V184 F185 T208 L252 Q270 F271 L276 A277	M183-Y206 PolarHBondContact O-N 2.74Å; V184-Y206 CarbonylContact C-O 3.56Å; V184-Y206 VanDerWaalsContact CA-O 3.23Å; V184-Y206 WeakPolarHBondContact CA-O 3.49Å; V184-Y206 HydrophobicContact CG1-CD1 4.3Å; V184-Y206 HydrophobicContact CG2-CD1 4.34Å; F185-Y206 PolarHBondContact N-O 3.19Å; Y206-T208 HydrophobicContact CE1-CG2 3.59Å; Y206-T208 WeakPolarHBondContact OH-CG2 3.35Å; Y206-L252 HydrophobicContact CD1-CD1 4.21Å; Y206-L252 HydrophobicContact CE1-CB 4.22Å; Y206-Q270 HydrophobicContact CE2-CB 3.87Å; Y206-Q270 PolarHBondContact OH-OE1 2.98Å; Y206-F271 WeakPolarHBondContact CD2-O 3.28Å; Y206-L276 HydrophobicContact CG-CB 4.49Å; Y206-A277 HydrophobicContact CD2-CB 4.46Å; Y206-A277 HydrophobicContact CE1-CB 4.34Å; Y206-A277 HydrophobicContact CE2-CB 3.89Å
207	A	98.9	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	146.4	177.7	0	0	0	0	0	111.4	F185 M196 L199 Q270 F271	F185-A207 HydrophobicContact CB-CB 3.88Å; F185-A207 CarbonylContact O-C 3.57Å; F185-A207 WeakPolarHBondContact O-CA 3.27Å; M196-A207 HydrophobicContact CB-CB 4.28Å; M196-A207 HydrophobicContact CE-CB 4.44Å; M196-A207 HydrophobicContact CG-CB 3.81Å; M196-A207 HydrophobicContact SD-CB 4.03Å; L199-A207 HydrophobicContact CD2-CB 3.98Å; A207-Q270 CarbonylContact O-C 3.51Å; A207-Q270 WeakPolarHBondContact O-CA 3.35Å; A207-F271 HydrophobicContact CB-CB 4.4Å; A207-F271 PolarHBondContact N-O 3.44Å; A207-F271 PolarHBondContact O-N 2.86Å
208	T	98.9	Very high	98.2	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.2	164.4	73.8	0	0	0	0	109.9	F185 Y186 I187 Y206 Y234 F256 Q269 Q270	F185-T208 PolarHBondContact O-N 3.04Å; Y186-T208 HydrophobicContact CD1-CG2 4.37Å; Y186-T208 WeakPolarHBondContact CD1-OG1 3.41Å; Y186-T208 HydrophobicContact CE1-CG2 3.97Å; Y186-T208 VanDerWaalsContact CE1-OG1 3.3Å; Y186-T208 WeakPolarHBondContact CE1-OG1 3.49Å; I187-T208 PolarHBondContact N-O 3.42Å; I187-T208 VanDerWaalsContact N-O 3.08Å; Y206-T208 HydrophobicContact CE1-CG2 3.59Å; Y206-T208 WeakPolarHBondContact OH-CG2 3.35Å; T208-Y234 PolarHBondContact OG1-OH 3Å; T208-F256 HydrophobicContact CG2-CB 4.48Å; T208-F256 HydrophobicContact CG2-CD2 3.91Å; T208-Q269 VanDerWaalsContact CA-O 3.23Å; T208-Q269 WeakPolarHBondContact CA-O 3.25Å; T208-Q270 HydrophobicContact CG2-CB 4.37Å
209	T	98.9	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.9	-177	67.9	0	0	0	0	110	I187 S192 M196 A211 V268 Q269 F271	I187-T209 HydrophobicContact CB-CG2 4.29Å; I187-T209 HydrophobicContact CD1-CG2 4.28Å; I187-T209 CarbonylContact O-C 3.56Å; I187-T209 WeakPolarHBondContact O-CA 3.5Å; S192-T209 WeakPolarHBondContact OG-CB 3.38Å; M196-T209 HydrophobicContact CB-CG2 4.36Å; M196-T209 HydrophobicContact CG-CG2 4.24Å; T209-A211 PolarHBondContact O-N 2.79Å; T209-A211 PolarHBondContact OG1-O 2.62Å; T209-V268 VanDerWaalsContact O-CA 3.24Å; T209-V268 WeakPolarHBondContact O-CA 3.41Å; T209-V268 WeakPolarHBondContact O-CG1 3.35Å; T209-Q269 PolarHBondContact N-O 2.86Å; T209-Q269 VanDerWaalsContact N-O 3.12Å; T209-Q269 PolarHBondContact O-N 3.18Å; T209-Q269 WeakPolarHBondContact OG1-CB 3.36Å; T209-F271 HydrophobicContact CG2-CD2 4.11Å; T209-F271 HydrophobicContact CG2-CE2 3.78Å
210	A	98.9	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-61.1	-33.7	-178.7	0	0	0	0	0	113.3	I187 E188 S192 Y234 S266	I187-A210 PolarHBondContact O-N 3.1Å; E188-A210 WeakPolarHBondContact OE1-CB 3.37Å; S192-A210 PolarHBondContact OG-N 2.02Å; A210-Y234 VanDerWaalsContact CB-CB 3.48Å; A210-Y234 HydrophobicContact CB-CD1 3.69Å; A210-Y234 HydrophobicContact CB-CD2 4.12Å; A210-Y234 HydrophobicContact CB-CE1 4.43Å; A210-Y234 HydrophobicContact CB-CG 3.5Å; A210-Y234 VanDerWaalsContact CB-CG 3.5Å; A210-S266 WeakPolarHBondContact O-CB 3.38Å; A210-S266 PolarHBondContact O-OG 2.85Å
211	A	98.9	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-130.3	159.9	-176	0	0	0	0	0	111.1	S192 G193 T209 E215 H267	S192-A211 PolarHBondContact OG-N 3.2Å; S192-A211 VanDerWaalsContact OG-N 3.15Å; G193-A211 WeakPolarHBondContact CA-O 3.49Å; G193-A211 PolarHBondContact N-O 2.87Å; T209-A211 PolarHBondContact O-N 2.79Å; T209-A211 PolarHBondContact OG1-O 2.62Å; A211-E215 HydrophobicContact CB-CG 3.67Å; A211-H267 CarbonylContact C-O 3.6Å
212	N	98.6	Very high	98.4	Very high	29 Å²	29	22.5 Å²	22.5	16%	0.155	11%	0.113	C	C	.	.			trans	-69.5	-172.2	160.9	69.8	37.8	0	0	0	110.7	E191 H214 E215 H267 Q269	E191-N212 CarbonylContact C-O 3.57Å; E191-N212 WeakPolarHBondContact CA-O 3.18Å; N212-H214 VanDerWaalsContact C-N 3.29Å; N212-H214 PolarHBondContact O-N 3.09Å; N212-H214 WeakPolarHBondContact OD1-CA 3.33Å; N212-H214 WeakPolarHBondContact OD1-CB 3.45Å; N212-H214 PolarHBondContact OD1-N 3.44Å; N212-E215 PolarHBondContact N-OE1 3.34Å; N212-E215 PolarHBondContact ND2-OE1 3.4Å; N212-E215 VanDerWaalsContact ND2-OE1 3.15Å; N212-E215 PolarHBondContact ND2-OE2 3.24Å; N212-E215 WeakPolarHBondContact OD1-CG 3.37Å; N212-E215 PolarHBondContact OD1-N 3.12Å; N212-H267 HydrophobicContact CB-CB 4.32Å; N212-H267 PolarHBondContact N-O 3.27Å; N212-H267 PolarHBondContact ND2-ND1 2.94Å; N212-Q269 HydrophobicContact CB-CG 4.1Å
213	D	97.2	Very high	98.4	Very high	33 Å²	33	17.7 Å²	17.7	18%	0.176	9%	0.087	C	C	.	.	S	Bend	trans	-83.1	6.4	-177.1	52.9	-17.8	0	0	0	115.1	K197	K197-D213 IonicContact NZ-OD2 3.46Å; K197-D213 PolarHBondContact NZ-OD2 3.18Å
214	H	96.8	Very high	98.2	Very high	81 Å²	81	23.5 Å²	23.5	38%	0.375	11%	0.114	S	C	.	.	S	Bend	trans	-132.6	-1.3	-170.1	-65.9	102.9	0	0	0	115	N212 R374	N212-H214 VanDerWaalsContact C-N 3.29Å; N212-H214 PolarHBondContact O-N 3.09Å; N212-H214 WeakPolarHBondContact OD1-CA 3.33Å; N212-H214 WeakPolarHBondContact OD1-CB 3.45Å; N212-H214 PolarHBondContact OD1-N 3.44Å; H214-R374 WeakPolarHBondContact CD2-CB 3.38Å; H214-R374 VanDerWaalsContact NE2-CB 3.27Å; H214-R374 WeakPolarHBondContact NE2-CB 3.21Å
215	E	97.8	Very high	98.1	Very high	36 Å²	36	25.4 Å²	25.4	17%	0.168	13%	0.131	C	C	.	.	S	Bend	trans	-133.3	161.2	-172.5	74.7	-162.5	164.7	0	0	112.1	E191 A211 N212 H267	E191-E215 PolarHBondContact N-O 3.02Å; A211-E215 HydrophobicContact CB-CG 3.67Å; N212-E215 PolarHBondContact N-OE1 3.34Å; N212-E215 PolarHBondContact ND2-OE1 3.4Å; N212-E215 VanDerWaalsContact ND2-OE1 3.15Å; N212-E215 PolarHBondContact ND2-OE2 3.24Å; N212-E215 WeakPolarHBondContact OD1-CG 3.37Å; N212-E215 PolarHBondContact OD1-N 3.12Å; E215-H267 WeakPolarHBondContact OE1-CA 3.36Å; E215-H267 VanDerWaalsContact OE1-CB 3.31Å; E215-H267 WeakPolarHBondContact OE1-CB 3.47Å; E215-H267 IonicContact OE1-CG 3.7Å; E215-H267 PolarHBondContact OE1-N 2.82Å; E215-H267 IonicContact OE1-ND1 2.74Å; E215-H267 PolarHBondContact OE1-ND1 3.28Å; E215-H267 IonicContact OE2-CE1 2.71Å; E215-H267 IonicContact OE2-CG 3.18Å; E215-H267 IonicContact OE2-ND1 3Å; E215-H267 PolarHBondContact OE2-ND1 3.47Å
216	S	98.2	Very high	98	Very high	26 Å²	26	26.5 Å²	26.5	18%	0.182	14%	0.135	C	C	.	.			trans	-83	154.2	174.3	-59.2	0	0	0	0	111.4	R407	S216-R407 PolarHBondContact OG-NH1 3.25Å
217	S	98.6	Very high	98	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	15%	0.148	C	C	.	.			trans	-83.7	174	160.6	62.8	0	0	0	0	110.9	E188 C190 S311	E188-S217 WeakPolarHBondContact OE1-CB 3.41Å; E188-S217 PolarHBondContact OE1-OG 2.86Å; C190-S217 PolarHBondContact N-OG 3.11Å; S217-S311 WeakPolarHBondContact O-CB 3.45Å; S217-S311 PolarHBondContact O-N 3.32Å
218	Y	98.9	Very high	97.9	Very high	61 Å²	61	28.9 Å²	28.9	24%	0.239	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.3	-168.8	-80.6	-115	0	0	0	110.8	W233 T265 L308 T309 P310	Y218-W233 WeakPolarHBondContact O-CB 3.37Å; Y218-W233 PolarHBondContact O-N 3.19Å; Y218-T265 HydrophobicContact CD1-CG2 3.71Å; Y218-T265 HydrophobicContact CD2-CG2 4.49Å; Y218-T265 HydrophobicContact CE1-CG2 3.96Å; Y218-T265 WeakPolarHBondContact CE2-O 3.38Å; Y218-T265 VanDerWaalsContact CG-CB 3.46Å; Y218-T265 HydrophobicContact CG-CG2 4.01Å; Y218-L308 HydrophobicContact CD1-CB 4.48Å; Y218-T309 CarbonylContact C-O 3.56Å; Y218-T309 VanDerWaalsContact CA-O 3.31Å; Y218-T309 WeakPolarHBondContact CA-O 3.48Å; Y218-T309 VanDerWaalsContact CD1-C 3.42Å; Y218-P310 HydrophobicContact CD1-CG 4.23Å; Y218-P310 HydrophobicContact CE1-CB 4.15Å; Y218-P310 HydrophobicContact CE1-CG 3.55Å; Y218-P310 HydrophobicContact CE2-CB 4.45Å
219	A	98.9	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	160.5	164.8	0	0	0	0	0	110.7	Y229 L308 T309 V314	A219-Y229 HydrophobicContact CB-CD1 3.94Å; A219-Y229 HydrophobicContact CB-CG 3.96Å; A219-L308 WeakPolarHBondContact O-CA 3.48Å; A219-T309 PolarHBondContact N-O 3.13Å; A219-T309 PolarHBondContact O-N 3.42Å; A219-V314 HydrophobicContact CB-CG2 3.46Å; A219-V314 VanDerWaalsContact CB-CG2 3.46Å
220	C	98.7	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	169	177.5	67.2	0	0	0	0	111.6	L230 G231 W233 V236 K306 L308	C220-L230 PolarHBondContact O-N 3.39Å; C220-G231 PolarHBondContact N-O 2.91Å; C220-G231 PolarHBondContact O-N 3.06Å; C220-G231 VanDerWaalsContact O-O 3.11Å; C220-G231 VanDerWaalsContact SG-C 3.53Å; C220-G231 PolarHBondContact SG-O 2.83Å; C220-W233 HydrophobicContact CB-CB 4.41Å; C220-W233 HydrophobicContact CB-CD2 4.42Å; C220-W233 HydrophobicContact CB-CE3 3.61Å; C220-W233 HydrophobicContact CB-CZ3 4.37Å; C220-V236 VanDerWaalsContact SG-CG2 3.58Å; C220-K306 CarbonylContact C-O 3.5Å; C220-K306 VanDerWaalsContact CA-O 3.31Å; C220-K306 WeakPolarHBondContact CA-O 3.44Å; C220-K306 WeakPolarHBondContact CB-O 3.41Å; C220-L308 HydrophobicContact CB-CD2 3.81Å
221	Y	98.2	Very high	97.9	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.035	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.8	75	175.8	-53.1	-36.6	0	0	0	113	K91 P92 D223 L230 W233 V236 E240 I303 K306	K91-Y221 HydrophobicContact CB-CD2 4.12Å; K91-Y221 HydrophobicContact CB-CE2 4.01Å; P92-Y221 HydrophobicContact CG-CD1 3.93Å; P92-Y221 HydrophobicContact CG-CG 3.98Å; Y221-D223 PolarHBondContact O-N 3.07Å; Y221-L230 WeakPolarHBondContact O-CG 3.47Å; Y221-L230 PolarHBondContact O-N 3.25Å; Y221-W233 HydrophobicContact CE1-CZ3 4.27Å; Y221-V236 HydrophobicContact CD2-CG1 4.14Å; Y221-V236 HydrophobicContact CE2-CB 3.86Å; Y221-V236 HydrophobicContact CE2-CG1 3.79Å; Y221-V236 HydrophobicContact CE2-CG2 3.75Å; Y221-E240 PolarHBondContact OH-OE1 2.73Å; Y221-I303 HydrophobicContact CD1-CG2 4.11Å; Y221-I303 HydrophobicContact CE1-CB 4.4Å; Y221-I303 HydrophobicContact CE1-CD1 3.89Å; Y221-I303 HydrophobicContact CE1-CG2 3.82Å; Y221-K306 PolarHBondContact N-O 3.41Å
222	Y	98.1	Very high	97.9	Very high	16 Å²	16	28.8 Å²	28.8	6%	0.063	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	127.4	172.6	-179.6	-94.1	0	0	0	109.4	E224 D227 Y229 D307 I318 R321	Y222-E224 HydrophobicContact CD1-CG 4.39Å; Y222-E224 HydrophobicContact CE1-CG 4.12Å; Y222-D227 PolarHBondContact OH-OD1 3.5Å; Y222-D227 VanDerWaalsContact OH-OD1 3.08Å; Y222-Y229 HydrophobicContact CD2-CD2 4.09Å; Y222-Y229 HydrophobicContact CD2-CE1 4.44Å; Y222-Y229 AromaticContact CD2-CE2 3.78Å; Y222-Y229 HydrophobicContact CD2-CE2 3.78Å; Y222-Y229 AromaticContact CD2-CZ 3.98Å; Y222-D307 PolarHBondContact N-OD2 2.99Å; Y222-I318 HydrophobicContact CE2-CB 4.46Å; Y222-I318 HydrophobicContact CE2-CG1 4.04Å; Y222-R321 HydrophobicContact CE1-CB 4.08Å; Y222-R321 HydrophobicContact CE1-CG 4.42Å; Y222-R321 HydrophobicContact CE2-CB 4.25Å
223	D	97.3	Very high	97.9	Very high	23 Å²	23	27.6 Å²	27.6	12%	0.123	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113	178.2	-174.2	-107	0	0	0	110.2	Y221 S225 R226 D227 T228 L230	Y221-D223 PolarHBondContact O-N 3.07Å; D223-S225 PolarHBondContact O-N 3.27Å; D223-S225 PolarHBondContact OD1-N 3.4Å; D223-R226 HydrophobicContact CB-CB 4.19Å; D223-R226 CarbonylContact O-C 3.58Å; D223-R226 PolarHBondContact O-N 3.03Å; D223-R226 VanDerWaalsContact OD1-CB 3.25Å; D223-R226 WeakPolarHBondContact OD1-CB 3.48Å; D223-R226 WeakPolarHBondContact OD1-CD 3.23Å; D223-R226 WeakPolarHBondContact OD1-CG 3.44Å; D223-R226 IonicContact OD1-CZ 2.68Å; D223-R226 PolarHBondContact OD1-N 3.23Å; D223-R226 IonicContact OD1-NH1 3.16Å; D223-R226 PolarHBondContact OD1-NH1 3.46Å; D223-R226 IonicContact OD2-NH1 2.71Å; D223-D227 WeakPolarHBondContact O-CA 3.21Å; D223-D227 PolarHBondContact O-N 2.98Å; D223-T228 PolarHBondContact N-O 3.29Å; D223-L230 HydrophobicContact CB-CD1 3.93Å; D223-L230 HydrophobicContact CB-CD2 3.69Å; D223-L230 HydrophobicContact CB-CG 3.8Å
224	E	95	Very high	98	Very high	127 Å²	127	26.2 Å²	26.2	59%	0.593	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.2	-178.9	-68.6	-114.8	156	0	0	113	Y222	Y222-E224 HydrophobicContact CD1-CG 4.39Å; Y222-E224 HydrophobicContact CE1-CG 4.12Å
225	S	95.5	Very high	98.1	Very high	89 Å²	89	22.3 Å²	22.3	62%	0.622	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-33.7	-179.3	-62.5	0	0	0	0	112.3	P83 D223	P83-S225 WeakPolarHBondContact CG-O 3.23Å; D223-S225 PolarHBondContact O-N 3.27Å; D223-S225 PolarHBondContact OD1-N 3.4Å
226	R	97.7	Very high	98.1	Very high	23 Å²	23	20.6 Å²	20.6	9%	0.087	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-12	178.3	-71.1	166.4	-176.3	77.6	1.7	113.1	W42 P83 T84 D223 T228	W42-R226 HydrophobicContact CZ2-CB 3.92Å; W42-R226 HydrophobicContact CZ2-CG 4.18Å; W42-R226 PolarHBondContact NE1-O 3.16Å; P83-R226 HydrophobicContact CG-CG 3.63Å; T84-R226 PolarHBondContact OG1-NH2 3.03Å; D223-R226 HydrophobicContact CB-CB 4.19Å; D223-R226 CarbonylContact O-C 3.58Å; D223-R226 PolarHBondContact O-N 3.03Å; D223-R226 VanDerWaalsContact OD1-CB 3.25Å; D223-R226 WeakPolarHBondContact OD1-CB 3.48Å; D223-R226 WeakPolarHBondContact OD1-CD 3.23Å; D223-R226 WeakPolarHBondContact OD1-CG 3.44Å; D223-R226 IonicContact OD1-CZ 2.68Å; D223-R226 PolarHBondContact OD1-N 3.23Å; D223-R226 IonicContact OD1-NH1 3.16Å; D223-R226 PolarHBondContact OD1-NH1 3.46Å; D223-R226 IonicContact OD2-NH1 2.71Å; R226-T228 HydrophobicContact CB-CG2 3.92Å; R226-T228 PolarHBondContact O-N 3.23Å
227	D	97.1	Very high	98.2	Very high	49 Å²	49	20.3 Å²	20.3	26%	0.262	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.7	-179.3	-84.9	-33.9	0	0	0	113.1	Y222 D223 I318 K322	Y222-D227 PolarHBondContact OH-OD1 3.5Å; Y222-D227 VanDerWaalsContact OH-OD1 3.08Å; D223-D227 WeakPolarHBondContact O-CA 3.21Å; D223-D227 PolarHBondContact O-N 2.98Å; D227-I318 VanDerWaalsContact O-CG2 3.26Å; D227-I318 WeakPolarHBondContact O-CG2 3.41Å; D227-K322 WeakPolarHBondContact OD2-CE 3.43Å; D227-K322 IonicContact OD2-NZ 2.67Å
228	T	98.5	Very high	98.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	173.3	-178.2	-162.5	0	0	0	0	110.7	W42 Y45 D223 R226	W42-T228 HydrophobicContact CZ2-CG2 4.43Å; W42-T228 PolarHBondContact O-OG1 3.11Å; Y45-T228 HydrophobicContact CD1-CG2 4.17Å; Y45-T228 HydrophobicContact CD2-CG2 4.01Å; Y45-T228 HydrophobicContact CG-CG2 3.66Å; D223-T228 PolarHBondContact N-O 3.29Å; R226-T228 HydrophobicContact CB-CG2 3.92Å; R226-T228 PolarHBondContact O-N 3.23Å
229	Y	98.8	Very high	98.2	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.5	174.5	-71.1	-97.7	0	0	0	110.3	R46 A219 Y222 D307 T309 V314 A317 I318	R46-Y229 PolarHBondContact N-O 3.39Å; A219-Y229 HydrophobicContact CB-CD1 3.94Å; A219-Y229 HydrophobicContact CB-CG 3.96Å; Y222-Y229 HydrophobicContact CD2-CD2 4.09Å; Y222-Y229 HydrophobicContact CD2-CE1 4.44Å; Y222-Y229 AromaticContact CD2-CE2 3.78Å; Y222-Y229 HydrophobicContact CD2-CE2 3.78Å; Y222-Y229 AromaticContact CD2-CZ 3.98Å; Y229-D307 HydrophobicContact CE1-CB 3.92Å; Y229-D307 VanDerWaalsContact CE1-O 3.26Å; Y229-D307 WeakPolarHBondContact CE1-O 3.42Å; Y229-T309 WeakPolarHBondContact CE1-OG1 3.33Å; Y229-T309 PolarHBondContact OH-OG1 2.77Å; Y229-V314 HydrophobicContact CD2-CB 4.41Å; Y229-V314 HydrophobicContact CD2-CG1 3.63Å; Y229-V314 HydrophobicContact CD2-CG2 4.17Å; Y229-V314 HydrophobicContact CE2-CB 4.47Å; Y229-V314 HydrophobicContact CE2-CG1 4.02Å; Y229-V314 HydrophobicContact CE2-CG2 4.29Å; Y229-A317 HydrophobicContact CE2-CB 4.37Å; Y229-A317 WeakPolarHBondContact OH-CB 3.37Å; Y229-I318 HydrophobicContact CD2-CD1 4.26Å; Y229-I318 HydrophobicContact CD2-CG1 4.03Å; Y229-I318 HydrophobicContact CE2-CG1 3.86Å
230	L	98.8	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	-22.1	-172.5	-59.2	-179.3	0	0	0	114.3	Y45 A49 I89 N90 C220 Y221 D223	Y45-L230 HydrophobicContact CD1-CD2 4.24Å; Y45-L230 HydrophobicContact CE1-CD2 3.76Å; A49-L230 VanDerWaalsContact CB-O 3.32Å; A49-L230 WeakPolarHBondContact CB-O 3.16Å; I89-L230 HydrophobicContact CD1-CD1 3.73Å; I89-L230 HydrophobicContact CD1-CD2 4.23Å; I89-L230 HydrophobicContact CG1-CD1 3.92Å; I89-L230 HydrophobicContact CG1-CD2 3.86Å; I89-L230 HydrophobicContact CG1-CG 4.45Å; N90-L230 PolarHBondContact ND2-O 3.07Å; C220-L230 PolarHBondContact O-N 3.39Å; Y221-L230 WeakPolarHBondContact O-CG 3.47Å; Y221-L230 PolarHBondContact O-N 3.25Å; D223-L230 HydrophobicContact CB-CD1 3.93Å; D223-L230 HydrophobicContact CB-CD2 3.69Å; D223-L230 HydrophobicContact CB-CG 3.8Å
231	G	98.7	Very high	98.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	176	-178.5	0	0	0	0	0	113	D50 N90 C220	D50-G231 WeakPolarHBondContact OD1-CA 3.36Å; N90-G231 WeakPolarHBondContact ND2-CA 3.39Å; C220-G231 PolarHBondContact N-O 2.91Å; C220-G231 PolarHBondContact O-N 3.06Å; C220-G231 VanDerWaalsContact O-O 3.11Å; C220-G231 VanDerWaalsContact SG-C 3.53Å; C220-G231 PolarHBondContact SG-O 2.83Å
232	D	98.9	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	143.4	176.5	-65.6	-85.6	0	0	0	111.3	R46 H47 D50 E188 Y234 S235 V236	R46-D232 VanDerWaalsContact CB-OD2 3.31Å; R46-D232 WeakPolarHBondContact CB-OD2 3.5Å; R46-D232 WeakPolarHBondContact CD-OD1 3.34Å; R46-D232 WeakPolarHBondContact CD-OD2 3.08Å; R46-D232 WeakPolarHBondContact CG-OD2 3.11Å; R46-D232 IonicContact NE-OD1 2.68Å; R46-D232 PolarHBondContact NE-OD1 2.95Å; R46-D232 IonicContact NE-OD2 3.88Å; H47-D232 IonicContact CD2-OD1 3.96Å; H47-D232 IonicContact CD2-OD2 2.7Å; H47-D232 PolarHBondContact CD2-OD2 3.43Å; H47-D232 IonicContact NE2-OD1 3.59Å; H47-D232 IonicContact NE2-OD2 2.8Å; D50-D232 PolarHBondContact OD1-N 3.43Å; E188-D232 HydrophobicContact CG-CB 3.64Å; E188-D232 WeakPolarHBondContact OE2-CB 3.48Å; D232-Y234 PolarHBondContact O-N 3.24Å; D232-S235 CarbonylContact O-C 3.53Å; D232-S235 WeakPolarHBondContact O-CA 3.18Å; D232-S235 VanDerWaalsContact O-CB 3.32Å; D232-S235 WeakPolarHBondContact O-CB 3.28Å; D232-S235 PolarHBondContact O-N 3.1Å; D232-V236 WeakPolarHBondContact O-CG1 3.18Å; D232-V236 WeakPolarHBondContact O-CG2 3.4Å; D232-V236 PolarHBondContact O-N 3.03Å
233	W	98.8	Very high	98	Very high	4 Å²	4	20 Å²	20	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-65	-41.5	-161.4	-168.2	-129.7	0	0	0	112.9	Y218 C220 Y221 V236 N237 E262 K306 L308	Y218-W233 WeakPolarHBondContact O-CB 3.37Å; Y218-W233 PolarHBondContact O-N 3.19Å; C220-W233 HydrophobicContact CB-CB 4.41Å; C220-W233 HydrophobicContact CB-CD2 4.42Å; C220-W233 HydrophobicContact CB-CE3 3.61Å; C220-W233 HydrophobicContact CB-CZ3 4.37Å; Y221-W233 HydrophobicContact CE1-CZ3 4.27Å; W233-V236 HydrophobicContact CE3-CG2 3.78Å; W233-V236 HydrophobicContact CZ3-CG2 4.04Å; W233-N237 WeakPolarHBondContact O-CB 2.89Å; W233-N237 PolarHBondContact O-N 3.44Å; W233-N237 PolarHBondContact O-ND2 2.8Å; W233-E262 WeakPolarHBondContact CZ2-O 3.47Å; W233-E262 PolarHBondContact NE1-O 2.8Å; W233-K306 HydrophobicContact CH2-CD 3.38Å; W233-K306 VanDerWaalsContact CH2-CE 3.44Å; W233-K306 HydrophobicContact CH2-CG 4.03Å; W233-K306 VanDerWaalsContact CH2-NZ 3.31Å; W233-K306 HydrophobicContact CZ2-CD 3.78Å; W233-K306 HydrophobicContact CZ3-CB 4.36Å; W233-K306 HydrophobicContact CZ3-CD 4.02Å; W233-K306 HydrophobicContact CZ3-CG 4.2Å; W233-L308 HydrophobicContact CB-CD2 4.27Å; W233-L308 HydrophobicContact CD2-CD2 3.29Å; W233-L308 HydrophobicContact CE3-CD2 3.45Å; W233-L308 VanDerWaalsContact CE3-CD2 3.45Å; W233-L308 HydrophobicContact CG-CD2 3.65Å; W233-L308 HydrophobicContact CZ2-CD2 4.32Å; W233-L308 HydrophobicContact CZ3-CD2 4.07Å
234	Y	98.9	Very high	97.8	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-68.4	-41.7	173.8	155.7	-85.5	0	0	0	110.7	Y186 E188 T208 A210 D232 N237 W238 V259 V268	Y186-Y234 VanDerWaalsContact CB-OH 3.29Å; Y186-Y234 WeakPolarHBondContact CB-OH 3.32Å; Y186-Y234 VanDerWaalsContact CG-OH 3.3Å; E188-Y234 HydrophobicContact CB-CD1 3.98Å; E188-Y234 HydrophobicContact CB-CE1 4.37Å; E188-Y234 WeakPolarHBondContact OE2-CB 3.44Å; E188-Y234 PolarHBondContact OE2-N 3.47Å; T208-Y234 PolarHBondContact OG1-OH 3Å; A210-Y234 VanDerWaalsContact CB-CB 3.48Å; A210-Y234 HydrophobicContact CB-CD1 3.69Å; A210-Y234 HydrophobicContact CB-CD2 4.12Å; A210-Y234 HydrophobicContact CB-CE1 4.43Å; A210-Y234 HydrophobicContact CB-CG 3.5Å; A210-Y234 VanDerWaalsContact CB-CG 3.5Å; D232-Y234 PolarHBondContact O-N 3.24Å; Y234-N237 PolarHBondContact O-N 2.91Å; Y234-W238 AromaticContact CE1-CD1 3.88Å; Y234-W238 PolarHBondContact O-N 3.29Å; Y234-V259 HydrophobicContact CD2-CG1 3.39Å; Y234-V259 HydrophobicContact CE2-CG1 3.72Å; Y234-V259 HydrophobicContact CG-CG1 4.3Å; Y234-V268 HydrophobicContact CD2-CG1 3.96Å; Y234-V268 HydrophobicContact CD2-CG2 3.99Å; Y234-V268 HydrophobicContact CE2-CG1 3.87Å
235	S	98.9	Very high	97.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.5	-58.1	178.7	-63.6	0	0	0	0	112.8	D50 Y145 E188 D232 N237 W238 M239	D50-S235 WeakPolarHBondContact OD2-CB 3.36Å; D50-S235 PolarHBondContact OD2-OG 2.91Å; Y145-S235 WeakPolarHBondContact OH-CB 3.39Å; Y145-S235 PolarHBondContact OH-OG 3.13Å; E188-S235 VanDerWaalsContact CB-OG 3.28Å; E188-S235 WeakPolarHBondContact CB-OG 3.48Å; E188-S235 VanDerWaalsContact CG-OG 3.27Å; E188-S235 WeakPolarHBondContact CG-OG 3.42Å; E188-S235 PolarHBondContact OE2-N 3.06Å; D232-S235 CarbonylContact O-C 3.53Å; D232-S235 WeakPolarHBondContact O-CA 3.18Å; D232-S235 VanDerWaalsContact O-CB 3.32Å; D232-S235 WeakPolarHBondContact O-CB 3.28Å; D232-S235 PolarHBondContact O-N 3.1Å; S235-N237 PolarHBondContact O-N 3.37Å; S235-W238 VanDerWaalsContact CA-CD1 3.47Å; S235-W238 PolarHBondContact O-N 2.63Å; S235-W238 PolarHBondContact O-NE1 2.71Å; S235-M239 WeakPolarHBondContact O-CB 3.45Å; S235-M239 WeakPolarHBondContact O-CE 3.22Å; S235-M239 WeakPolarHBondContact O-CG 3.34Å; S235-M239 PolarHBondContact O-N 3.14Å
236	V	98.8	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.5	-34.9	-178.3	-57.8	0	0	0	0	110.9	C220 Y221 D232 W233 W238 M239 E240	C220-V236 VanDerWaalsContact SG-CG2 3.58Å; Y221-V236 HydrophobicContact CD2-CG1 4.14Å; Y221-V236 HydrophobicContact CE2-CB 3.86Å; Y221-V236 HydrophobicContact CE2-CG1 3.79Å; Y221-V236 HydrophobicContact CE2-CG2 3.75Å; D232-V236 WeakPolarHBondContact O-CG1 3.18Å; D232-V236 WeakPolarHBondContact O-CG2 3.4Å; D232-V236 PolarHBondContact O-N 3.03Å; W233-V236 HydrophobicContact CE3-CG2 3.78Å; W233-V236 HydrophobicContact CZ3-CG2 4.04Å; V236-W238 PolarHBondContact O-N 3.21Å; V236-M239 PolarHBondContact O-N 2.76Å; V236-E240 WeakPolarHBondContact O-CB 3.27Å; V236-E240 VanDerWaalsContact O-CG 3.3Å; V236-E240 WeakPolarHBondContact O-CG 3.38Å; V236-E240 PolarHBondContact O-N 3.36Å
237	N	98.7	Very high	97.8	Very high	19 Å²	19	15.5 Å²	15.5	10%	0.102	9%	0.086	C	C	.	.	H	α-helix	trans	-63.4	-42.4	178.2	-78.4	-31.2	0	0	0	112.6	W233 Y234 S235 D241 V259 E262 T263	W233-N237 WeakPolarHBondContact O-CB 2.89Å; W233-N237 PolarHBondContact O-N 3.44Å; W233-N237 PolarHBondContact O-ND2 2.8Å; Y234-N237 PolarHBondContact O-N 2.91Å; S235-N237 PolarHBondContact O-N 3.37Å; N237-D241 WeakPolarHBondContact O-CB 3.42Å; N237-D241 PolarHBondContact O-N 2.92Å; N237-V259 HydrophobicContact CB-CG1 4.32Å; N237-V259 HydrophobicContact CB-CG2 4.49Å; N237-E262 HydrophobicContact CB-CB 4.41Å; N237-T263 PolarHBondContact ND2-N 2.68Å; N237-T263 PolarHBondContact ND2-OG1 3.41Å
238	W	98.9	Very high	97.7	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	9%	0.09	C	C	.	.	H	α-helix	trans	-77.8	-33	178.1	80.7	-102.3	0	0	0	112.2	A54 I57 F143 Y145 Y186 Y234 S235 V236 S242 V259	A54-W238 HydrophobicContact CB-CH2 3.88Å; A54-W238 HydrophobicContact CB-CZ2 4.03Å; I57-W238 HydrophobicContact CD1-CH2 4.46Å; I57-W238 HydrophobicContact CD1-CZ3 4.18Å; F143-W238 HydrophobicContact CE1-CH2 4.32Å; F143-W238 HydrophobicContact CZ-CH2 4.27Å; Y145-W238 AromaticContact CD1-CZ2 3.9Å; Y145-W238 HydrophobicContact CD1-CZ2 3.9Å; Y145-W238 HydrophobicContact CD2-CZ2 4.08Å; Y145-W238 AromaticContact CE1-CZ2 3.89Å; Y145-W238 HydrophobicContact CE1-CZ2 3.89Å; Y145-W238 HydrophobicContact CE2-CZ2 4.08Å; Y145-W238 AromaticContact CE2-NE1 3.6Å; Y145-W238 AromaticContact CG-CZ2 3.97Å; Y145-W238 HydrophobicContact CG-CZ2 3.97Å; Y145-W238 AromaticContact CZ-CZ2 3.97Å; Y145-W238 AromaticContact CZ-NE1 3.88Å; Y186-W238 AromaticContact CD2-CD2 3.8Å; Y186-W238 HydrophobicContact CD2-CD2 3.8Å; Y186-W238 HydrophobicContact CD2-CE3 4.21Å; Y186-W238 AromaticContact CD2-CG 3.93Å; Y186-W238 HydrophobicContact CD2-CG 3.93Å; Y186-W238 HydrophobicContact CE2-CB 4.23Å; Y186-W238 AromaticContact CE2-CD2 3.99Å; Y186-W238 HydrophobicContact CE2-CD2 3.99Å; Y186-W238 HydrophobicContact CE2-CE3 4.1Å; Y186-W238 HydrophobicContact CE2-CG 4.04Å; Y234-W238 AromaticContact CE1-CD1 3.88Å; Y234-W238 PolarHBondContact O-N 3.29Å; S235-W238 VanDerWaalsContact CA-CD1 3.47Å; S235-W238 PolarHBondContact O-N 2.63Å; S235-W238 PolarHBondContact O-NE1 2.71Å; V236-W238 PolarHBondContact O-N 3.21Å; W238-S242 WeakPolarHBondContact O-CB 3.25Å; W238-S242 PolarHBondContact O-N 3.44Å; W238-S242 PolarHBondContact O-OG 3.39Å; W238-V259 HydrophobicContact CB-CG2 3.56Å
239	M	98.8	Very high	97.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-72.7	-46.2	-179.6	-72	-171.1	-63.9	0	0	112	D50 H53 A54 I57 N90 S235 V236 D241 S242 D243	D50-M239 HydrophobicContact CB-CE 4.15Å; D50-M239 VanDerWaalsContact O-SD 3.35Å; H53-M239 HydrophobicContact CB-CE 4.12Å; H53-M239 HydrophobicContact CB-SD 3.64Å; A54-M239 HydrophobicContact CB-SD 4.07Å; A54-M239 PolarHBondContact N-SD 3.28Å; I57-M239 HydrophobicContact CD1-CB 3.58Å; I57-M239 HydrophobicContact CD1-CG 3.71Å; I57-M239 HydrophobicContact CD1-SD 4.45Å; N90-M239 WeakPolarHBondContact OD1-CE 3.46Å; S235-M239 WeakPolarHBondContact O-CB 3.45Å; S235-M239 WeakPolarHBondContact O-CE 3.22Å; S235-M239 WeakPolarHBondContact O-CG 3.34Å; S235-M239 PolarHBondContact O-N 3.14Å; V236-M239 PolarHBondContact O-N 2.76Å; M239-D241 VanDerWaalsContact C-N 3.29Å; M239-D241 PolarHBondContact O-N 2.74Å; M239-S242 CarbonylContact O-C 3.57Å; M239-S242 PolarHBondContact O-N 3.35Å; M239-D243 WeakPolarHBondContact O-CB 3.48Å; M239-D243 PolarHBondContact O-N 3.36Å
240	E	97.6	Very high	97.6	Very high	48 Å²	48	23.2 Å²	23.2	22%	0.224	12%	0.122	C	C	.	.	H	α-helix	trans	-68.3	-30.2	177.7	-67.7	-165.8	-159.7	0	0	112.4	K91 Y221 V236 D243 A244	K91-E240 HydrophobicContact CD-CG 4.46Å; K91-E240 VanDerWaalsContact CD-OE1 3.29Å; K91-E240 WeakPolarHBondContact CD-OE1 3.35Å; Y221-E240 PolarHBondContact OH-OE1 2.73Å; V236-E240 WeakPolarHBondContact O-CB 3.27Å; V236-E240 VanDerWaalsContact O-CG 3.3Å; V236-E240 WeakPolarHBondContact O-CG 3.38Å; V236-E240 PolarHBondContact O-N 3.36Å; E240-D243 WeakPolarHBondContact O-CB 3.17Å; E240-A244 WeakPolarHBondContact O-CB 3.1Å; E240-A244 PolarHBondContact O-N 3.04Å
241	D	97.6	Very high	97.6	Very high	15 Å²	15	24.6 Å²	24.6	8%	0.08	13%	0.13	C	C	.	.	H	α-helix	trans	-62.4	-50.5	167.4	175.3	77.1	0	0	0	111	N237 M239 D243 A244 E245 Q255 I258	N237-D241 WeakPolarHBondContact O-CB 3.42Å; N237-D241 PolarHBondContact O-N 2.92Å; M239-D241 VanDerWaalsContact C-N 3.29Å; M239-D241 PolarHBondContact O-N 2.74Å; D241-D243 PolarHBondContact O-N 2.82Å; D241-A244 PolarHBondContact O-N 3.48Å; D241-E245 WeakPolarHBondContact O-CB 3.29Å; D241-E245 WeakPolarHBondContact O-CG 3.09Å; D241-E245 PolarHBondContact O-N 2.86Å; D241-Q255 VanDerWaalsContact OD2-CG 3.28Å; D241-Q255 WeakPolarHBondContact OD2-CG 3.23Å; D241-Q255 PolarHBondContact OD2-NE2 2.62Å; D241-I258 VanDerWaalsContact OD1-CD1 3.27Å; D241-I258 WeakPolarHBondContact OD1-CD1 3.3Å
242	S	98.2	Very high	97.6	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-65.8	-23	178.4	-54.7	0	0	0	0	113.9	W238 M239 Q255 Q285	W238-S242 WeakPolarHBondContact O-CB 3.25Å; W238-S242 PolarHBondContact O-N 3.44Å; W238-S242 PolarHBondContact O-OG 3.39Å; M239-S242 CarbonylContact O-C 3.57Å; M239-S242 PolarHBondContact O-N 3.35Å; S242-Q255 PolarHBondContact OG-NE2 3.1Å; S242-Q285 PolarHBondContact OG-OE1 3.28Å
243	D	96.2	Very high	97.6	Very high	17 Å²	17	26.2 Å²	26.2	9%	0.091	14%	0.139	C	C	.	.	H	α-helix	trans	-72	-31.3	171.3	-98.7	-11.6	0	0	0	113.4	H53 R60 M239 E240 D241 Q297	H53-D243 IonicContact CE1-OD2 3.62Å; H53-D243 IonicContact NE2-OD1 2.88Å; H53-D243 IonicContact NE2-OD2 3.87Å; H53-D243 PolarHBondContact NE2-OD2 3.33Å; H53-D243 VanDerWaalsContact NE2-OD2 3.11Å; R60-D243 IonicContact CZ-OD1 3.54Å; R60-D243 IonicContact NH1-OD1 3.29Å; R60-D243 PolarHBondContact NH1-OD1 3.05Å; R60-D243 IonicContact NH2-OD1 2.74Å; R60-D243 PolarHBondContact NH2-OD1 2.96Å; M239-D243 WeakPolarHBondContact O-CB 3.48Å; M239-D243 PolarHBondContact O-N 3.36Å; E240-D243 WeakPolarHBondContact O-CB 3.17Å; D241-D243 PolarHBondContact O-N 2.82Å; D243-Q297 PolarHBondContact O-NE2 3.27Å
244	A	94	Very high	97.6	Very high	55 Å²	55	31.3 Å²	31.3	46%	0.455	16%	0.161	S	C	.	.	H	α-helix	trans	-102.3	-33	-169.9	0	0	0	0	0	113.1	E240 D241	E240-A244 WeakPolarHBondContact O-CB 3.1Å; E240-A244 PolarHBondContact O-N 3.04Å; D241-A244 PolarHBondContact O-N 3.48Å
245	E	95.1	Very high	97.6	Very high	84 Å²	84	31.1 Å²	31.1	39%	0.393	16%	0.16	S	C	.	.	S	Bend	trans	-86.6	156.1	-170.5	-71.8	-67.8	167.2	0	0	113.8	D241 L247 Y291 P294	D241-E245 WeakPolarHBondContact O-CB 3.29Å; D241-E245 WeakPolarHBondContact O-CG 3.09Å; D241-E245 PolarHBondContact O-N 2.86Å; E245-L247 HydrophobicContact CB-CD2 4.37Å; E245-L247 PolarHBondContact O-N 2.92Å; E245-L247 VanDerWaalsContact O-N 3.16Å; E245-Y291 PolarHBondContact O-OH 3.31Å; E245-P294 WeakPolarHBondContact O-CD 3.32Å; E245-P294 WeakPolarHBondContact O-CG 3.47Å
246	D	95.8	Very high	97.6	Very high	27 Å²	27	31.6 Å²	31.6	14%	0.144	16%	0.162	C	C	.	.			trans	-80.5	93.8	167.7	-176.7	-7.4	0	0	0	109.7	T248 K249 E250 P293	D246-T248 PolarHBondContact O-N 3.04Å; D246-T248 WeakPolarHBondContact OD1-CB 3.47Å; D246-T248 PolarHBondContact OD1-N 2.73Å; D246-T248 VanDerWaalsContact OD1-N 3.14Å; D246-T248 PolarHBondContact OD1-OG1 2.85Å; D246-K249 HydrophobicContact CB-CD 4.24Å; D246-K249 HydrophobicContact CB-CG 4.45Å; D246-K249 WeakPolarHBondContact O-CB 3.19Å; D246-K249 PolarHBondContact O-N 3.01Å; D246-K249 WeakPolarHBondContact OD2-CD 3.47Å; D246-K249 VanDerWaalsContact OD2-CE 3.23Å; D246-K249 WeakPolarHBondContact OD2-CE 3.48Å; D246-K249 IonicContact OD2-NZ 2.81Å; D246-K249 PolarHBondContact OD2-NZ 2.86Å; D246-E250 PolarHBondContact O-N 3.3Å; D246-P293 HydrophobicContact CB-CB 4.35Å
247	L	96.6	Very high	97.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-13.8	-176.7	-52	-178.8	0	0	0	114.9	N61 E245 K249 V281 I282 Y291	N61-L247 WeakPolarHBondContact ND2-CD1 3.47Å; E245-L247 HydrophobicContact CB-CD2 4.37Å; E245-L247 PolarHBondContact O-N 2.92Å; E245-L247 VanDerWaalsContact O-N 3.16Å; L247-K249 VanDerWaalsContact C-N 3.28Å; L247-V281 HydrophobicContact CB-CB 4.15Å; L247-V281 HydrophobicContact CB-CG1 4.37Å; L247-V281 HydrophobicContact CD1-CG1 4.24Å; L247-V281 HydrophobicContact CD2-CB 3.99Å; L247-V281 HydrophobicContact CD2-CG1 3.7Å; L247-V281 HydrophobicContact CG-CG1 4.3Å; L247-I282 HydrophobicContact CB-CB 3.89Å; L247-I282 HydrophobicContact CB-CD1 4.18Å; L247-I282 HydrophobicContact CD1-CD1 4.44Å; L247-I282 WeakPolarHBondContact O-CB 3.15Å; L247-I282 WeakPolarHBondContact O-CG2 3.32Å; L247-I282 PolarHBondContact O-N 3.15Å; L247-I282 VanDerWaalsContact O-N 3.09Å; L247-Y291 HydrophobicContact CB-CE1 4.5Å; L247-Y291 HydrophobicContact CD1-CE2 4.32Å; L247-Y291 PolarHBondContact N-OH 3.32Å
248	T	95.9	Very high	97.6	Very high	57 Å²	57	37.9 Å²	37.9	35%	0.35	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-19.5	171.6	67.8	0	0	0	0	112.8	D246 K280 I282 Y291	D246-T248 PolarHBondContact O-N 3.04Å; D246-T248 WeakPolarHBondContact OD1-CB 3.47Å; D246-T248 PolarHBondContact OD1-N 2.73Å; D246-T248 VanDerWaalsContact OD1-N 3.14Å; D246-T248 PolarHBondContact OD1-OG1 2.85Å; T248-K280 WeakPolarHBondContact O-CD 3.36Å; T248-I282 HydrophobicContact CG2-CG1 4.43Å; T248-I282 HydrophobicContact CG2-CG2 4.19Å; T248-Y291 HydrophobicContact CG2-CD1 3.49Å; T248-Y291 VanDerWaalsContact CG2-CD1 3.49Å; T248-Y291 HydrophobicContact CG2-CE1 3.69Å
249	K	96.3	Very high	97.6	Very high	145 Å²	145	38 Å²	38	63%	0.63	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-42.1	179.3	-64.6	178.1	-177.1	130.9	0	111.3	D246 L247 K280	D246-K249 HydrophobicContact CB-CD 4.24Å; D246-K249 HydrophobicContact CB-CG 4.45Å; D246-K249 WeakPolarHBondContact O-CB 3.19Å; D246-K249 PolarHBondContact O-N 3.01Å; D246-K249 WeakPolarHBondContact OD2-CD 3.47Å; D246-K249 VanDerWaalsContact OD2-CE 3.23Å; D246-K249 WeakPolarHBondContact OD2-CE 3.48Å; D246-K249 IonicContact OD2-NZ 2.81Å; D246-K249 PolarHBondContact OD2-NZ 2.86Å; L247-K249 VanDerWaalsContact C-N 3.28Å; K249-K280 PolarHBondContact O-NZ 2.63Å
250	E	97.9	Very high	97.6	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.047	22%	0.216	C	C	.	.			trans	-65.5	135.5	-178.5	-172.9	172.4	-145.7	0	0	111.9	D246 K254 Q255 K280 V281	D246-E250 PolarHBondContact O-N 3.3Å; E250-K254 HydrophobicContact CG-CB 3.98Å; E250-K254 HydrophobicContact CG-CG 3.97Å; E250-Q255 WeakPolarHBondContact OE1-CA 3.33Å; E250-Q255 PolarHBondContact OE1-N 2.69Å; E250-K280 VanDerWaalsContact O-CA 3.25Å; E250-K280 WeakPolarHBondContact O-CA 3.33Å; E250-K280 WeakPolarHBondContact O-CD 3.33Å; E250-V281 HydrophobicContact CB-CG2 4.19Å; E250-V281 HydrophobicContact CG-CG2 3.89Å; E250-V281 PolarHBondContact O-N 2.86Å
251	T	98.8	Very high	97.6	Very high	29 Å²	29	47 Å²	47	18%	0.178	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-96.7	155.3	172.3	65.3	0	0	0	0	110.9	L253 K254 Q255 H278 M279 K280	T251-L253 PolarHBondContact O-N 3.06Å; T251-L253 VanDerWaalsContact O-N 3.14Å; T251-K254 WeakPolarHBondContact O-CA 3.49Å; T251-K254 WeakPolarHBondContact O-CB 3.23Å; T251-K254 PolarHBondContact O-N 2.73Å; T251-K254 PolarHBondContact OG1-N 2.51Å; T251-Q255 PolarHBondContact O-N 3.16Å; T251-H278 VanDerWaalsContact CG2-O 3.27Å; T251-H278 WeakPolarHBondContact CG2-O 3.49Å; T251-M279 CarbonylContact C-O 3.6Å; T251-M279 WeakPolarHBondContact CA-O 3.3Å; T251-M279 WeakPolarHBondContact CB-O 3.46Å; T251-K280 HydrophobicContact CG2-CD 4.09Å
252	L	98.9	Very high	97.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-53.5	-34.4	171.7	-68.8	169.9	0	0	0	112.4	V184 Y186 Y206 F256 A277 M279 V281 F284	V184-L252 HydrophobicContact CG2-CD1 3.77Å; Y186-L252 WeakPolarHBondContact OH-CD2 3.31Å; Y206-L252 HydrophobicContact CD1-CD1 4.21Å; Y206-L252 HydrophobicContact CE1-CB 4.22Å; L252-F256 VanDerWaalsContact O-CB 3.25Å; L252-F256 WeakPolarHBondContact O-CB 3.19Å; L252-F256 PolarHBondContact O-N 3.08Å; L252-A277 PolarHBondContact N-O 3.1Å; L252-M279 PolarHBondContact N-O 3.25Å; L252-V281 HydrophobicContact CD2-CG2 4.38Å; L252-F284 HydrophobicContact CD1-CD2 3.81Å; L252-F284 HydrophobicContact CD1-CE2 3.69Å; L252-F284 HydrophobicContact CD2-CD2 4.44Å; L252-F284 HydrophobicContact CG-CD2 4.42Å
253	L	98.8	Very high	97.6	Very high	35 Å²	35	50.4 Å²	50.4	18%	0.183	25%	0.25	C	C	.	.	H	α-helix	trans	-67.1	-35.8	176	-179	61.9	0	0	0	112.3	T251 F256 K257 A277	T251-L253 PolarHBondContact O-N 3.06Å; T251-L253 VanDerWaalsContact O-N 3.14Å; L253-F256 HydrophobicContact CD1-CD1 4.3Å; L253-K257 HydrophobicContact CG-CD 4.48Å; L253-K257 VanDerWaalsContact O-CG 3.26Å; L253-K257 WeakPolarHBondContact O-CG 3.08Å; L253-K257 PolarHBondContact O-N 2.91Å; L253-K257 VanDerWaalsContact O-N 3.11Å; L253-A277 HydrophobicContact CB-CB 3.82Å; L253-A277 WeakPolarHBondContact CB-O 3.47Å; L253-A277 HydrophobicContact CD1-CB 4.4Å; L253-A277 PolarHBondContact N-O 3.04Å
254	K	98.8	Very high	97.6	Very high	110 Å²	110	55.1 Å²	55.1	48%	0.478	28%	0.275	S	S	.	.	H	α-helix	trans	-70.4	-48.6	177.5	175.7	55.5	174.2	155.8	0	109.6	E250 T251 F256 K257 I258	E250-K254 HydrophobicContact CG-CB 3.98Å; E250-K254 HydrophobicContact CG-CG 3.97Å; T251-K254 WeakPolarHBondContact O-CA 3.49Å; T251-K254 WeakPolarHBondContact O-CB 3.23Å; T251-K254 PolarHBondContact O-N 2.73Å; T251-K254 PolarHBondContact OG1-N 2.51Å; K254-F256 PolarHBondContact O-N 3.41Å; K254-K257 PolarHBondContact O-N 3.14Å; K254-K257 VanDerWaalsContact O-N 3.13Å; K254-I258 HydrophobicContact CD-CD1 4.18Å; K254-I258 HydrophobicContact CD-CG1 4.38Å; K254-I258 HydrophobicContact CG-CD1 4.25Å; K254-I258 WeakPolarHBondContact O-CG1 3.03Å; K254-I258 PolarHBondContact O-N 2.86Å
255	Q	98.8	Very high	97.8	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-56.4	-50.4	173.1	179.2	163.8	94.9	0	0	111.3	Y186 D241 S242 E250 T251 K257 I258 V259 V281 Q285	Y186-Q255 VanDerWaalsContact CE2-OE1 3.28Å; Y186-Q255 PolarHBondContact OH-OE1 2.83Å; D241-Q255 VanDerWaalsContact OD2-CG 3.28Å; D241-Q255 WeakPolarHBondContact OD2-CG 3.23Å; D241-Q255 PolarHBondContact OD2-NE2 2.62Å; S242-Q255 PolarHBondContact OG-NE2 3.1Å; E250-Q255 WeakPolarHBondContact OE1-CA 3.33Å; E250-Q255 PolarHBondContact OE1-N 2.69Å; T251-Q255 PolarHBondContact O-N 3.16Å; Q255-K257 VanDerWaalsContact C-N 3.27Å; Q255-K257 PolarHBondContact O-N 3.34Å; Q255-I258 PolarHBondContact O-N 3.37Å; Q255-I258 VanDerWaalsContact O-N 3.08Å; Q255-V259 HydrophobicContact CG-CG2 4.07Å; Q255-V259 WeakPolarHBondContact O-CB 3.24Å; Q255-V259 VanDerWaalsContact O-CG2 3.26Å; Q255-V259 WeakPolarHBondContact O-CG2 3.36Å; Q255-V259 PolarHBondContact O-N 3.05Å; Q255-V281 HydrophobicContact CB-CG2 4.18Å; Q255-Q285 VanDerWaalsContact OE1-NE2 3.14Å
256	F	98.9	Very high	98	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-53.4	-42.2	175.7	165.5	-102.3	0	0	0	112.7	T208 L252 L253 K254 R260 V268 Q270	T208-F256 HydrophobicContact CG2-CB 4.48Å; T208-F256 HydrophobicContact CG2-CD2 3.91Å; L252-F256 VanDerWaalsContact O-CB 3.25Å; L252-F256 WeakPolarHBondContact O-CB 3.19Å; L252-F256 PolarHBondContact O-N 3.08Å; L253-F256 HydrophobicContact CD1-CD1 4.3Å; K254-F256 PolarHBondContact O-N 3.41Å; F256-R260 WeakPolarHBondContact O-CB 3.48Å; F256-R260 PolarHBondContact O-N 3.03Å; F256-V268 HydrophobicContact CD2-CG1 4.11Å; F256-V268 HydrophobicContact CE2-CG1 3.91Å; F256-Q270 HydrophobicContact CD2-CB 4.17Å; F256-Q270 HydrophobicContact CE1-CG 4.03Å; F256-Q270 HydrophobicContact CE2-CB 3.82Å; F256-Q270 HydrophobicContact CE2-CG 4.01Å; F256-Q270 HydrophobicContact CZ-CB 4.06Å; F256-Q270 HydrophobicContact CZ-CG 3.69Å
257	K	98.8	Very high	98.2	Very high	117 Å²	117	54.5 Å²	54.5	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-68	-41.2	178.7	-76.6	172.4	-179.9	177.9	0	112	L253 K254 Q255 T261	L253-K257 HydrophobicContact CG-CD 4.48Å; L253-K257 VanDerWaalsContact O-CG 3.26Å; L253-K257 WeakPolarHBondContact O-CG 3.08Å; L253-K257 PolarHBondContact O-N 2.91Å; L253-K257 VanDerWaalsContact O-N 3.11Å; K254-K257 PolarHBondContact O-N 3.14Å; K254-K257 VanDerWaalsContact O-N 3.13Å; Q255-K257 VanDerWaalsContact C-N 3.27Å; Q255-K257 PolarHBondContact O-N 3.34Å; K257-T261 WeakPolarHBondContact O-CB 3.34Å; K257-T261 PolarHBondContact O-N 3.06Å; K257-T261 PolarHBondContact O-OG1 2.96Å; K257-T261 VanDerWaalsContact O-OG1 3.13Å
258	I	98.6	Very high	98.3	Very high	35 Å²	35	54.5 Å²	54.5	18%	0.179	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-56.2	175.6	-67.6	169.6	0	0	0	108.9	D241 K254 Q255 R260 T261 E262	D241-I258 VanDerWaalsContact OD1-CD1 3.27Å; D241-I258 WeakPolarHBondContact OD1-CD1 3.3Å; K254-I258 HydrophobicContact CD-CD1 4.18Å; K254-I258 HydrophobicContact CD-CG1 4.38Å; K254-I258 HydrophobicContact CG-CD1 4.25Å; K254-I258 WeakPolarHBondContact O-CG1 3.03Å; K254-I258 PolarHBondContact O-N 2.86Å; Q255-I258 PolarHBondContact O-N 3.37Å; Q255-I258 VanDerWaalsContact O-N 3.08Å; I258-R260 VanDerWaalsContact C-N 3.29Å; I258-R260 PolarHBondContact O-N 3.25Å; I258-T261 WeakPolarHBondContact O-CA 3.42Å; I258-T261 WeakPolarHBondContact O-CB 3.26Å; I258-T261 PolarHBondContact O-N 3.21Å; I258-E262 HydrophobicContact CG2-CG 4.27Å; I258-E262 PolarHBondContact O-N 2.83Å
259	V	98.8	Very high	98.4	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.024	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-42.3	-178.7	176.4	0	0	0	0	111.3	Y234 N237 W238 Q255 T261 E262 T263 V268	Y234-V259 HydrophobicContact CD2-CG1 3.39Å; Y234-V259 HydrophobicContact CE2-CG1 3.72Å; Y234-V259 HydrophobicContact CG-CG1 4.3Å; N237-V259 HydrophobicContact CB-CG1 4.32Å; N237-V259 HydrophobicContact CB-CG2 4.49Å; W238-V259 HydrophobicContact CB-CG2 3.56Å; Q255-V259 HydrophobicContact CG-CG2 4.07Å; Q255-V259 WeakPolarHBondContact O-CB 3.24Å; Q255-V259 VanDerWaalsContact O-CG2 3.26Å; Q255-V259 WeakPolarHBondContact O-CG2 3.36Å; Q255-V259 PolarHBondContact O-N 3.05Å; V259-T261 VanDerWaalsContact C-N 3.32Å; V259-T261 PolarHBondContact O-N 3.28Å; V259-E262 PolarHBondContact O-N 2.89Å; V259-T263 WeakPolarHBondContact O-CB 3.41Å; V259-T263 PolarHBondContact O-N 2.86Å; V259-T263 PolarHBondContact O-OG1 2.68Å; V259-V268 HydrophobicContact CG1-CG1 4.41Å; V259-V268 HydrophobicContact CG1-CG2 4.42Å
260	R	98.5	Very high	98.5	Very high	135 Å²	135	49.8 Å²	49.8	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-64.9	-33.3	175.7	-179.2	174.5	178.1	-171.6	2.7	113.3	F256 I258 V268	F256-R260 WeakPolarHBondContact O-CB 3.48Å; F256-R260 PolarHBondContact O-N 3.03Å; I258-R260 VanDerWaalsContact C-N 3.29Å; I258-R260 PolarHBondContact O-N 3.25Å; R260-V268 HydrophobicContact CB-CB 3.99Å; R260-V268 HydrophobicContact CB-CG1 4.43Å; R260-V268 HydrophobicContact CG-CB 4.18Å
261	T	98.4	Very high	98.6	Very high	102 Å²	102	51 Å²	51	63%	0.626	25%	0.247	S	C	*	.	H	α-helix	trans	-75.7	-43.4	177.2	-70.7	0	0	0	0	111.5	K257 I258 V259	K257-T261 WeakPolarHBondContact O-CB 3.34Å; K257-T261 PolarHBondContact O-N 3.06Å; K257-T261 PolarHBondContact O-OG1 2.96Å; K257-T261 VanDerWaalsContact O-OG1 3.13Å; I258-T261 WeakPolarHBondContact O-CA 3.42Å; I258-T261 WeakPolarHBondContact O-CB 3.26Å; I258-T261 PolarHBondContact O-N 3.21Å; V259-T261 VanDerWaalsContact C-N 3.32Å; V259-T261 PolarHBondContact O-N 3.28Å
262	E	97.5	Very high	98.5	Very high	85 Å²	85	50.1 Å²	50.1	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-75.6	-33.1	-178.2	-64.1	-56.1	141.7	0	0	112.6	W233 N237 I258 V259 N264	W233-E262 WeakPolarHBondContact CZ2-O 3.47Å; W233-E262 PolarHBondContact NE1-O 2.8Å; N237-E262 HydrophobicContact CB-CB 4.41Å; I258-E262 HydrophobicContact CG2-CG 4.27Å; I258-E262 PolarHBondContact O-N 2.83Å; V259-E262 PolarHBondContact O-N 2.89Å; E262-N264 PolarHBondContact O-N 2.74Å
263	T	98.3	Very high	98.5	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	25%	0.25	C	C	.	.			trans	-77.5	66.3	175	-46.4	0	0	0	0	110.6	N237 V259 T265 S266 V268	N237-T263 PolarHBondContact ND2-N 2.68Å; N237-T263 PolarHBondContact ND2-OG1 3.41Å; V259-T263 WeakPolarHBondContact O-CB 3.41Å; V259-T263 PolarHBondContact O-N 2.86Å; V259-T263 PolarHBondContact O-OG1 2.68Å; T263-T265 PolarHBondContact O-N 3.08Å; T263-S266 WeakPolarHBondContact CG2-OG 3.32Å; T263-V268 HydrophobicContact CG2-CG2 3.83Å
264	N	96.8	Very high	98.5	Very high	117 Å²	117	55.1 Å²	55.1	63%	0.626	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	10.2	-175	67.5	-12.7	0	0	0	115.1	E262	E262-N264 PolarHBondContact O-N 2.74Å
265	T	98.3	Very high	98.5	Very high	33 Å²	33	54.3 Å²	54.3	20%	0.202	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-15.9	-179.1	50.8	0	0	0	0	113.7	Y218 T263 L308	Y218-T265 HydrophobicContact CD1-CG2 3.71Å; Y218-T265 HydrophobicContact CD2-CG2 4.49Å; Y218-T265 HydrophobicContact CE1-CG2 3.96Å; Y218-T265 WeakPolarHBondContact CE2-O 3.38Å; Y218-T265 VanDerWaalsContact CG-CB 3.46Å; Y218-T265 HydrophobicContact CG-CG2 4.01Å; T263-T265 PolarHBondContact O-N 3.08Å; T265-L308 HydrophobicContact CG2-CB 4.02Å; T265-L308 HydrophobicContact CG2-CD1 3.65Å; T265-L308 HydrophobicContact CG2-CG 4.36Å
266	S	98.7	Very high	98.4	Very high	12 Å²	12	54.5 Å²	54.5	8%	0.084	27%	0.271	C	S	.	.	S	Bend	trans	-144.9	174.5	177.2	57.6	0	0	0	0	109.9	A210 T263	A210-S266 WeakPolarHBondContact O-CB 3.38Å; A210-S266 PolarHBondContact O-OG 2.85Å; T263-S266 WeakPolarHBondContact CG2-OG 3.32Å
267	H	98.8	Very high	98.4	Very high	108 Å²	108	54.1 Å²	54.1	50%	0.5	27%	0.269	S	S	.	.			trans	-102.3	88.3	179.7	-59.8	85.5	0	0	0	110.4	A211 N212 E215 Q269	A211-H267 CarbonylContact C-O 3.6Å; N212-H267 HydrophobicContact CB-CB 4.32Å; N212-H267 PolarHBondContact N-O 3.27Å; N212-H267 PolarHBondContact ND2-ND1 2.94Å; E215-H267 WeakPolarHBondContact OE1-CA 3.36Å; E215-H267 VanDerWaalsContact OE1-CB 3.31Å; E215-H267 WeakPolarHBondContact OE1-CB 3.47Å; E215-H267 IonicContact OE1-CG 3.7Å; E215-H267 PolarHBondContact OE1-N 2.82Å; E215-H267 IonicContact OE1-ND1 2.74Å; E215-H267 PolarHBondContact OE1-ND1 3.28Å; E215-H267 IonicContact OE2-CE1 2.71Å; E215-H267 IonicContact OE2-CG 3.18Å; E215-H267 IonicContact OE2-ND1 3Å; E215-H267 PolarHBondContact OE2-ND1 3.47Å; H267-Q269 WeakPolarHBondContact O-CG 3.4Å; H267-Q269 PolarHBondContact O-N 3.08Å; H267-Q269 PolarHBondContact O-NE2 3.23Å
268	V	98.9	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.			trans	-54.8	122.7	173.7	-176	0	0	0	0	110.7	T209 Y234 F256 V259 R260 T263	T209-V268 VanDerWaalsContact O-CA 3.24Å; T209-V268 WeakPolarHBondContact O-CA 3.41Å; T209-V268 WeakPolarHBondContact O-CG1 3.35Å; Y234-V268 HydrophobicContact CD2-CG1 3.96Å; Y234-V268 HydrophobicContact CD2-CG2 3.99Å; Y234-V268 HydrophobicContact CE2-CG1 3.87Å; F256-V268 HydrophobicContact CD2-CG1 4.11Å; F256-V268 HydrophobicContact CE2-CG1 3.91Å; V259-V268 HydrophobicContact CG1-CG1 4.41Å; V259-V268 HydrophobicContact CG1-CG2 4.42Å; R260-V268 HydrophobicContact CB-CB 3.99Å; R260-V268 HydrophobicContact CB-CG1 4.43Å; R260-V268 HydrophobicContact CG-CB 4.18Å; T263-V268 HydrophobicContact CG2-CG2 3.83Å
269	Q	98.8	Very high	98.3	Very high	61 Å²	61	53.8 Å²	53.8	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	165.7	-177.2	-59.5	-59.4	-60.9	0	0	112.2	T208 T209 N212 H267 F271	T208-Q269 VanDerWaalsContact CA-O 3.23Å; T208-Q269 WeakPolarHBondContact CA-O 3.25Å; T209-Q269 PolarHBondContact N-O 2.86Å; T209-Q269 VanDerWaalsContact N-O 3.12Å; T209-Q269 PolarHBondContact O-N 3.18Å; T209-Q269 WeakPolarHBondContact OG1-CB 3.36Å; N212-Q269 HydrophobicContact CB-CG 4.1Å; H267-Q269 WeakPolarHBondContact O-CG 3.4Å; H267-Q269 PolarHBondContact O-N 3.08Å; H267-Q269 PolarHBondContact O-NE2 3.23Å; Q269-F271 HydrophobicContact CB-CD2 4.32Å; Q269-F271 HydrophobicContact CB-CE2 3.4Å; Q269-F271 VanDerWaalsContact CB-CE2 3.4Å; Q269-F271 HydrophobicContact CB-CZ 3.59Å; Q269-F271 HydrophobicContact CG-CE2 4.29Å; Q269-F271 HydrophobicContact CG-CZ 4.05Å
270	Q	98.7	Very high	98.3	Very high	42 Å²	42	56 Å²	56	20%	0.196	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.7	169.8	60	171.4	-12.6	0	0	112.1	Y206 A207 T208 F256	Y206-Q270 HydrophobicContact CE2-CB 3.87Å; Y206-Q270 PolarHBondContact OH-OE1 2.98Å; A207-Q270 CarbonylContact O-C 3.51Å; A207-Q270 WeakPolarHBondContact O-CA 3.35Å; T208-Q270 HydrophobicContact CG2-CB 4.37Å; F256-Q270 HydrophobicContact CD2-CB 4.17Å; F256-Q270 HydrophobicContact CE1-CG 4.03Å; F256-Q270 HydrophobicContact CE2-CB 3.82Å; F256-Q270 HydrophobicContact CE2-CG 4.01Å; F256-Q270 HydrophobicContact CZ-CB 4.06Å; F256-Q270 HydrophobicContact CZ-CG 3.69Å
271	F	98.8	Very high	98.3	Very high	34 Å²	34	49.6 Å²	49.6	15%	0.149	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	173.5	-172.5	-55.4	-88.2	0	0	0	112.4	M196 L199 Y206 A207 T209 Q269	M196-F271 HydrophobicContact CB-CB 3.94Å; M196-F271 HydrophobicContact CB-CD1 4.4Å; M196-F271 HydrophobicContact CB-CD2 3.46Å; M196-F271 VanDerWaalsContact CB-CD2 3.46Å; M196-F271 HydrophobicContact CB-CE2 4Å; M196-F271 HydrophobicContact CB-CG 3.69Å; M196-F271 WeakPolarHBondContact O-CD1 3.25Å; M196-F271 WeakPolarHBondContact O-CG 3.48Å; L199-F271 HydrophobicContact CD2-CB 4.37Å; Y206-F271 WeakPolarHBondContact CD2-O 3.28Å; A207-F271 HydrophobicContact CB-CB 4.4Å; A207-F271 PolarHBondContact N-O 3.44Å; A207-F271 PolarHBondContact O-N 2.86Å; T209-F271 HydrophobicContact CG2-CD2 4.11Å; T209-F271 HydrophobicContact CG2-CE2 3.78Å; Q269-F271 HydrophobicContact CB-CD2 4.32Å; Q269-F271 HydrophobicContact CB-CE2 3.4Å; Q269-F271 VanDerWaalsContact CB-CE2 3.4Å; Q269-F271 HydrophobicContact CB-CZ 3.59Å; Q269-F271 HydrophobicContact CG-CE2 4.29Å; Q269-F271 HydrophobicContact CG-CZ 4.05Å
272	G	98.6	Very high	98.3	Very high	12 Å²	12	45 Å²	45	12%	0.124	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.8	-148.4	177.9	0	0	0	0	0	113.5	V205 K274	V205-G272 CarbonylContact O-C 3.54Å; V205-G272 WeakPolarHBondContact O-CA 3.39Å; G272-K274 PolarHBondContact O-N 2.74Å
273	N	98.4	Very high	98.3	Very high	23 Å²	23	41.8 Å²	41.8	12%	0.123	21%	0.21	C	C	.	.			trans	-75.3	90.8	-176.8	-169.9	-10.9	0	0	0	111.4	D201 D204 V205 T275 L276	D201-N273 WeakPolarHBondContact O-CB 3.27Å; D201-N273 VanDerWaalsContact O-CG 3.32Å; D204-N273 PolarHBondContact OD1-ND2 3.15Å; V205-N273 PolarHBondContact O-N 3.33Å; N273-T275 VanDerWaalsContact CG-OG1 3.3Å; N273-T275 PolarHBondContact ND2-OG1 3.47Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.28Å; N273-T275 PolarHBondContact OD1-N 2.72Å; N273-T275 VanDerWaalsContact OD1-N 3.13Å; N273-T275 PolarHBondContact OD1-OG1 3.01Å; N273-L276 HydrophobicContact CB-CD1 3.88Å; N273-L276 WeakPolarHBondContact ND2-CD1 3.27Å; N273-L276 WeakPolarHBondContact O-CB 3.4Å; N273-L276 PolarHBondContact O-N 3.41Å; N273-L276 VanDerWaalsContact O-N 3.1Å
274	K	98.2	Very high	98.3	Very high	116 Å²	116	41.8 Å²	41.8	50%	0.504	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-63.8	-12.6	-179.3	-63.2	177.5	-174.2	173.3	0	114.2	G272 L276 A277	G272-K274 PolarHBondContact O-N 2.74Å; K274-L276 PolarHBondContact O-N 3.15Å; K274-A277 VanDerWaalsContact O-CB 3.27Å; K274-A277 WeakPolarHBondContact O-CB 3.26Å; K274-A277 PolarHBondContact O-N 2.78Å
275	T	98	Very high	98.4	Very high	94 Å²	94	36.2 Å²	36.2	58%	0.577	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-64.6	-32.5	173.5	66.6	0	0	0	0	111.5	N273 A277 H278	N273-T275 VanDerWaalsContact CG-OG1 3.3Å; N273-T275 PolarHBondContact ND2-OG1 3.47Å; N273-T275 PolarHBondContact O-N 3.29Å; N273-T275 WeakPolarHBondContact OD1-CB 3.28Å; N273-T275 PolarHBondContact OD1-N 2.72Å; N273-T275 VanDerWaalsContact OD1-N 3.13Å; N273-T275 PolarHBondContact OD1-OG1 3.01Å; T275-A277 PolarHBondContact O-N 3.24Å; T275-A277 VanDerWaalsContact O-N 3.16Å; T275-H278 PolarHBondContact O-N 3.11Å; T275-H278 VanDerWaalsContact O-N 3.15Å; T275-H278 PolarHBondContact O-ND1 3.18Å
276	L	98.1	Very high	98.3	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-60.2	-24.7	175.1	-85.4	57.2	0	0	0	112.4	K182 D204 Y206 N273 K274 H278 M279	K182-L276 HydrophobicContact CB-CD2 4.16Å; K182-L276 HydrophobicContact CD-CD1 3.93Å; K182-L276 HydrophobicContact CD-CD2 3.92Å; K182-L276 HydrophobicContact CD-CG 3.86Å; D204-L276 WeakPolarHBondContact O-CD2 3.37Å; Y206-L276 HydrophobicContact CG-CB 4.49Å; N273-L276 HydrophobicContact CB-CD1 3.88Å; N273-L276 WeakPolarHBondContact ND2-CD1 3.27Å; N273-L276 WeakPolarHBondContact O-CB 3.4Å; N273-L276 PolarHBondContact O-N 3.41Å; N273-L276 VanDerWaalsContact O-N 3.1Å; K274-L276 PolarHBondContact O-N 3.15Å; L276-H278 PolarHBondContact O-N 3.12Å; L276-M279 HydrophobicContact CG-SD 4.2Å; L276-M279 VanDerWaalsContact O-CB 3.25Å; L276-M279 WeakPolarHBondContact O-CB 3.42Å; L276-M279 WeakPolarHBondContact O-CG 3.36Å; L276-M279 PolarHBondContact O-N 2.83Å
277	A	97.9	Very high	98.1	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.7	-15.2	178.7	0	0	0	0	0	112.9	Y206 L252 L253 K274 T275 M279	Y206-A277 HydrophobicContact CD2-CB 4.46Å; Y206-A277 HydrophobicContact CE1-CB 4.34Å; Y206-A277 HydrophobicContact CE2-CB 3.89Å; L252-A277 PolarHBondContact N-O 3.1Å; L253-A277 HydrophobicContact CB-CB 3.82Å; L253-A277 WeakPolarHBondContact CB-O 3.47Å; L253-A277 HydrophobicContact CD1-CB 4.4Å; L253-A277 PolarHBondContact N-O 3.04Å; K274-A277 VanDerWaalsContact O-CB 3.27Å; K274-A277 WeakPolarHBondContact O-CB 3.26Å; K274-A277 PolarHBondContact O-N 2.78Å; T275-A277 PolarHBondContact O-N 3.24Å; T275-A277 VanDerWaalsContact O-N 3.16Å; A277-M279 VanDerWaalsContact C-N 3.35Å
278	H	98.4	Very high	97.7	Very high	114 Å²	114	33.6 Å²	33.6	53%	0.528	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-82.2	-12.7	174.9	-59.3	86.6	0	0	0	113.7	T251 T275 L276	T251-H278 VanDerWaalsContact CG2-O 3.27Å; T251-H278 WeakPolarHBondContact CG2-O 3.49Å; T275-H278 PolarHBondContact O-N 3.11Å; T275-H278 VanDerWaalsContact O-N 3.15Å; T275-H278 PolarHBondContact O-ND1 3.18Å; L276-H278 PolarHBondContact O-N 3.12Å
279	M	98.1	Very high	97.1	Very high	31 Å²	31	41 Å²	41	15%	0.153	20%	0.204	C	C	.	.	S	Bend	trans	-67.7	157.5	174.5	-65.6	-178.4	68.5	0	0	111.2	K182 T251 L252 L276 A277 Q283 F284	K182-M279 HydrophobicContact CB-SD 4.4Å; K182-M279 HydrophobicContact CD-SD 4.36Å; K182-M279 HydrophobicContact CG-CE 4.11Å; K182-M279 HydrophobicContact CG-SD 3.89Å; T251-M279 CarbonylContact C-O 3.6Å; T251-M279 WeakPolarHBondContact CA-O 3.3Å; T251-M279 WeakPolarHBondContact CB-O 3.46Å; L252-M279 PolarHBondContact N-O 3.25Å; L276-M279 HydrophobicContact CG-SD 4.2Å; L276-M279 VanDerWaalsContact O-CB 3.25Å; L276-M279 WeakPolarHBondContact O-CB 3.42Å; L276-M279 WeakPolarHBondContact O-CG 3.36Å; L276-M279 PolarHBondContact O-N 2.83Å; A277-M279 VanDerWaalsContact C-N 3.35Å; M279-Q283 HydrophobicContact CE-CB 4.32Å; M279-F284 HydrophobicContact CB-CE2 4.03Å; M279-F284 HydrophobicContact CE-CE2 3.87Å; M279-F284 HydrophobicContact CE-CZ 3.89Å; M279-F284 HydrophobicContact SD-CE2 4.05Å; M279-F284 HydrophobicContact SD-CZ 3.98Å
280	K	98.2	Very high	96.7	Very high	51 Å²	51	41.9 Å²	41.9	22%	0.222	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-77.9	144.8	-178.3	-54.2	-56.8	-175.9	-174.1	0	111.6	T248 K249 E250 T251 I282 Q283	T248-K280 WeakPolarHBondContact O-CD 3.36Å; K249-K280 PolarHBondContact O-NZ 2.63Å; E250-K280 VanDerWaalsContact O-CA 3.25Å; E250-K280 WeakPolarHBondContact O-CA 3.33Å; E250-K280 WeakPolarHBondContact O-CD 3.33Å; T251-K280 HydrophobicContact CG2-CD 4.09Å; K280-I282 HydrophobicContact CB-CG2 3.92Å; K280-I282 PolarHBondContact O-N 3.02Å; K280-Q283 HydrophobicContact CB-CG 4.19Å; K280-Q283 VanDerWaalsContact N-OE1 3.11Å; K280-Q283 WeakPolarHBondContact O-CB 3.44Å; K280-Q283 PolarHBondContact O-N 2.85Å
281	V	98.6	Very high	96.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-37.6	177.9	178.8	0	0	0	0	110.6	L247 E250 L252 Q255 Q283 F284 Q285	L247-V281 HydrophobicContact CB-CB 4.15Å; L247-V281 HydrophobicContact CB-CG1 4.37Å; L247-V281 HydrophobicContact CD1-CG1 4.24Å; L247-V281 HydrophobicContact CD2-CB 3.99Å; L247-V281 HydrophobicContact CD2-CG1 3.7Å; L247-V281 HydrophobicContact CG-CG1 4.3Å; E250-V281 HydrophobicContact CB-CG2 4.19Å; E250-V281 HydrophobicContact CG-CG2 3.89Å; E250-V281 PolarHBondContact O-N 2.86Å; L252-V281 HydrophobicContact CD2-CG2 4.38Å; Q255-V281 HydrophobicContact CB-CG2 4.18Å; V281-Q283 PolarHBondContact O-N 3.33Å; V281-F284 PolarHBondContact O-N 3.07Å; V281-Q285 HydrophobicContact CG1-CB 4.15Å; V281-Q285 HydrophobicContact CG1-CG 3.99Å; V281-Q285 VanDerWaalsContact CG1-OE1 3.31Å; V281-Q285 PolarHBondContact O-N 3.17Å
282	I	97.8	Very high	96	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-20.6	179.1	-163.7	63.3	0	0	0	114.2	N61 L247 T248 K280 F284 G286 P288 Y291	N61-I282 HydrophobicContact CB-CD1 4.36Å; L247-I282 HydrophobicContact CB-CB 3.89Å; L247-I282 HydrophobicContact CB-CD1 4.18Å; L247-I282 HydrophobicContact CD1-CD1 4.44Å; L247-I282 WeakPolarHBondContact O-CB 3.15Å; L247-I282 WeakPolarHBondContact O-CG2 3.32Å; L247-I282 PolarHBondContact O-N 3.15Å; L247-I282 VanDerWaalsContact O-N 3.09Å; T248-I282 HydrophobicContact CG2-CG1 4.43Å; T248-I282 HydrophobicContact CG2-CG2 4.19Å; K280-I282 HydrophobicContact CB-CG2 3.92Å; K280-I282 PolarHBondContact O-N 3.02Å; I282-F284 PolarHBondContact O-N 3.17Å; I282-G286 CarbonylContact O-C 3.49Å; I282-G286 PolarHBondContact O-N 3.14Å; I282-G286 VanDerWaalsContact O-O 3.04Å; I282-P288 HydrophobicContact CG1-CG 4.15Å; I282-P288 HydrophobicContact CG2-CG 4.14Å; I282-Y291 HydrophobicContact CD1-CD1 3.81Å; I282-Y291 HydrophobicContact CD1-CD2 3.29Å; I282-Y291 HydrophobicContact CD1-CE1 4.21Å; I282-Y291 HydrophobicContact CD1-CE2 3.76Å; I282-Y291 HydrophobicContact CD1-CG 3.3Å; I282-Y291 HydrophobicContact CG1-CD1 4.14Å; I282-Y291 HydrophobicContact CG1-CD2 4.41Å; I282-Y291 HydrophobicContact CG1-CG 3.96Å
283	Q	97.9	Very high	95.5	Very high	18 Å²	18	52.1 Å²	52.1	8%	0.084	25%	0.253	C	S	.	.	H	α-helix	trans	-74.6	-9.4	178.6	-60.7	-173	-82	0	0	113.1	D27 H31 H141 M279 K280 V281	D27-Q283 PolarHBondContact OD2-NE2 3.16Å; H31-Q283 PolarHBondContact CD2-O 2.96Å; H31-Q283 PolarHBondContact CE1-O 3.3Å; H31-Q283 PolarHBondContact ND1-O 3.3Å; H31-Q283 PolarHBondContact NE2-O 3.48Å; H141-Q283 WeakPolarHBondContact CB-O 3.08Å; H141-Q283 PolarHBondContact ND1-O 3.04Å; M279-Q283 HydrophobicContact CE-CB 4.32Å; K280-Q283 HydrophobicContact CB-CG 4.19Å; K280-Q283 VanDerWaalsContact N-OE1 3.11Å; K280-Q283 WeakPolarHBondContact O-CB 3.44Å; K280-Q283 PolarHBondContact O-N 2.85Å; V281-Q283 PolarHBondContact O-N 3.33Å
284	F	98.6	Very high	94.8	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-125.8	-34.4	-180	-64.5	-82.2	0	0	0	112.2	H141 F143 K182 V184 L252 M279 V281 I282	H141-F284 HydrophobicContact CB-CD1 4.02Å; H141-F284 HydrophobicContact CB-CE1 3.9Å; F143-F284 HydrophobicContact CB-CB 4.15Å; F143-F284 WeakPolarHBondContact CB-O 3.5Å; F143-F284 HydrophobicContact CD2-CB 4.46Å; F143-F284 HydrophobicContact CG-CB 4.47Å; K182-F284 HydrophobicContact CB-CE1 3.97Å; K182-F284 HydrophobicContact CB-CZ 3.79Å; V184-F284 HydrophobicContact CB-CD1 3.88Å; V184-F284 HydrophobicContact CB-CE1 4.17Å; V184-F284 HydrophobicContact CB-CG 4.23Å; V184-F284 HydrophobicContact CG2-CD1 3.52Å; V184-F284 HydrophobicContact CG2-CD2 4Å; V184-F284 HydrophobicContact CG2-CE1 3.42Å; V184-F284 VanDerWaalsContact CG2-CE1 3.42Å; V184-F284 HydrophobicContact CG2-CE2 3.9Å; V184-F284 HydrophobicContact CG2-CG 3.82Å; V184-F284 HydrophobicContact CG2-CZ 3.61Å; L252-F284 HydrophobicContact CD1-CD2 3.81Å; L252-F284 HydrophobicContact CD1-CE2 3.69Å; L252-F284 HydrophobicContact CD2-CD2 4.44Å; L252-F284 HydrophobicContact CG-CD2 4.42Å; M279-F284 HydrophobicContact CB-CE2 4.03Å; M279-F284 HydrophobicContact CE-CE2 3.87Å; M279-F284 HydrophobicContact CE-CZ 3.89Å; M279-F284 HydrophobicContact SD-CE2 4.05Å; M279-F284 HydrophobicContact SD-CZ 3.98Å; V281-F284 PolarHBondContact O-N 3.07Å; I282-F284 PolarHBondContact O-N 3.17Å
285	Q	98.6	Very high	93.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-107.9	15.4	-174.8	-59.3	-179.6	11.4	0	0	114	V58 N61 F143 S242 Q255 V281	V58-Q285 HydrophobicContact CG1-CB 4.48Å; N61-Q285 VanDerWaalsContact CB-O 3.24Å; N61-Q285 WeakPolarHBondContact CB-O 3.26Å; N61-Q285 PolarHBondContact ND2-O 3.31Å; F143-Q285 HydrophobicContact CD1-CG 4.33Å; F143-Q285 HydrophobicContact CE1-CG 4.17Å; F143-Q285 HydrophobicContact CZ-CG 4.33Å; S242-Q285 PolarHBondContact OG-OE1 3.28Å; Q255-Q285 VanDerWaalsContact OE1-NE2 3.14Å; V281-Q285 HydrophobicContact CG1-CB 4.15Å; V281-Q285 HydrophobicContact CG1-CG 3.99Å; V281-Q285 VanDerWaalsContact CG1-OE1 3.31Å; V281-Q285 PolarHBondContact O-N 3.17Å
286	G	96.9	Very high	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-167.9	-171.6	177.8	0	0	0	0	0	113.2	H31 N61 I282	H31-G286 PolarHBondContact ND1-O 3Å; N61-G286 VanDerWaalsContact CB-CA 3.5Å; I282-G286 CarbonylContact O-C 3.49Å; I282-G286 PolarHBondContact O-N 3.14Å; I282-G286 VanDerWaalsContact O-O 3.04Å
287	N	94.1	Very high	90.8	Very high	42 Å²	42	58 Å²	58	23%	0.225	30%	0.304	C	S	.	.			trans	-119.2	108.8	171.5	176.5	-8.8	0	0	0	108.9	N61 G62 K289 T290 Y291	N61-N287 PolarHBondContact O-N 2.69Å; G62-N287 VanDerWaalsContact O-CB 3.23Å; G62-N287 WeakPolarHBondContact O-CB 3.22Å; N287-K289 PolarHBondContact O-N 3.08Å; N287-K289 WeakPolarHBondContact OD1-CB 3.34Å; N287-K289 PolarHBondContact OD1-N 2.94Å; N287-K289 VanDerWaalsContact OD1-N 3.11Å; N287-T290 WeakPolarHBondContact CB-OG1 3.46Å; N287-T290 PolarHBondContact O-N 3.28Å; N287-T290 PolarHBondContact O-OG1 3.44Å; N287-Y291 VanDerWaalsContact O-CB 3.3Å; N287-Y291 WeakPolarHBondContact O-CB 3.43Å; N287-Y291 PolarHBondContact O-N 2.98Å
288	P	89.2	Confident	88.8	Confident	56 Å²	56	64 Å²	64	36%	0.364	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.8	-175.5	-26.3	32.4	0	0	0	114.5	H31 I282	H31-P288 WeakPolarHBondContact CE1-CD 3.48Å; I282-P288 HydrophobicContact CG1-CG 4.15Å; I282-P288 HydrophobicContact CG2-CG 4.14Å
289	K	88.1	Confident	86.7	Confident	157 Å²	157	64.7 Å²	64.7	68%	0.683	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-27.9	-178.6	-62.4	174	-177.5	164.2	0	113.1	N287	N287-K289 PolarHBondContact O-N 3.08Å; N287-K289 WeakPolarHBondContact OD1-CB 3.34Å; N287-K289 PolarHBondContact OD1-N 2.94Å; N287-K289 VanDerWaalsContact OD1-N 3.11Å
290	T	90.3	Very high	84.8	Confident	79 Å²	79	68.5 Å²	68.5	49%	0.485	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-14.4	-176.6	53.2	0	0	0	0	112.8	N287	N287-T290 WeakPolarHBondContact CB-OG1 3.46Å; N287-T290 PolarHBondContact O-N 3.28Å; N287-T290 PolarHBondContact O-OG1 3.44Å
291	Y	91.9	Very high	83.2	Confident	22 Å²	22	71.5 Å²	71.5	9%	0.086	40%	0.398	C	S	.	.			trans	-59.4	140.7	-179.2	179.4	-109.5	0	0	0	112.3	N61 E245 L247 T248 I282 N287 P293 P294	N61-Y291 HydrophobicContact CB-CD2 3.93Å; N61-Y291 HydrophobicContact CB-CE2 4.3Å; N61-Y291 WeakPolarHBondContact OD1-CE2 3.04Å; E245-Y291 PolarHBondContact O-OH 3.31Å; L247-Y291 HydrophobicContact CB-CE1 4.5Å; L247-Y291 HydrophobicContact CD1-CE2 4.32Å; L247-Y291 PolarHBondContact N-OH 3.32Å; T248-Y291 HydrophobicContact CG2-CD1 3.49Å; T248-Y291 VanDerWaalsContact CG2-CD1 3.49Å; T248-Y291 HydrophobicContact CG2-CE1 3.69Å; I282-Y291 HydrophobicContact CD1-CD1 3.81Å; I282-Y291 HydrophobicContact CD1-CD2 3.29Å; I282-Y291 HydrophobicContact CD1-CE1 4.21Å; I282-Y291 HydrophobicContact CD1-CE2 3.76Å; I282-Y291 HydrophobicContact CD1-CG 3.3Å; I282-Y291 HydrophobicContact CG1-CD1 4.14Å; I282-Y291 HydrophobicContact CG1-CD2 4.41Å; I282-Y291 HydrophobicContact CG1-CG 3.96Å; N287-Y291 VanDerWaalsContact O-CB 3.3Å; N287-Y291 WeakPolarHBondContact O-CB 3.43Å; N287-Y291 PolarHBondContact O-N 2.98Å; Y291-P293 HydrophobicContact CD1-CG 4.32Å; Y291-P293 HydrophobicContact CE1-CB 4.14Å; Y291-P293 HydrophobicContact CE1-CG 3.81Å; Y291-P294 WeakPolarHBondContact OH-CD 3.13Å
292	R	90.4	Very high	82	Confident	216 Å²	216	76.8 Å²	76.8	82%	0.815	43%	0.433	S	S	*	.			trans	-126.1	119.8	170.9	-63.1	-176.9	-175.7	-165.8	1	106.9
293	P	87.8	Confident	81.2	Confident	64 Å²	64	79 Å²	79	42%	0.416	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-53.1	143	175.5	-25.1	32.6	0	0	0	111	D246 Y291 A295	D246-P293 HydrophobicContact CB-CB 4.35Å; Y291-P293 HydrophobicContact CD1-CG 4.32Å; Y291-P293 HydrophobicContact CE1-CB 4.14Å; Y291-P293 HydrophobicContact CE1-CG 3.81Å; P293-A295 PolarHBondContact O-N 2.82Å
294	P	83.8	Confident	80.1	Confident	44 Å²	44	84.4 Å²	84.4	29%	0.286	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-56.5	142.4	173.9	23	-31.2	0	0	0	109.5	E245 Y291	E245-P294 WeakPolarHBondContact O-CD 3.32Å; E245-P294 WeakPolarHBondContact O-CG 3.47Å; Y291-P294 WeakPolarHBondContact OH-CD 3.13Å
295	A	77.8	Confident	79.6	Confident	78 Å²	78	90.8 Å²	90.8	65%	0.645	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-59.6	148.2	168.5	0	0	0	0	0	108.6	P293 Q297	P293-A295 PolarHBondContact O-N 2.82Å; A295-Q297 PolarHBondContact O-N 2.93Å
296	P	69.4	Low	79.4	Confident	132 Å²	132	94.3 Å²	94.3	86%	0.857	52%	0.524	S	S	*	.			trans	-51.3	113	174.1	-22.8	31.6	0	0	0	109.1
297	Q	62.7	Low	79.4	Confident	106 Å²	106	95.5 Å²	95.5	50%	0.495	53%	0.53	S	S	.	.			trans	-68.4	139.9	-174.3	-66.6	-154	8.9	0	0	110	D243 A295 T299	D243-Q297 PolarHBondContact O-NE2 3.27Å; A295-Q297 PolarHBondContact O-N 2.93Å; Q297-T299 PolarHBondContact O-N 3.5Å
298	V	55.5	Low	79.6	Confident	129 Å²	129	96.1 Å²	96.1	78%	0.782	53%	0.533	S	S	*	.			trans	-66.1	118.1	158.2	-177.9	0	0	0	0	105.4	N300	V298-N300 PolarHBondContact O-N 2.92Å
299	T	54.5	Low	80	Confident	128 Å²	128	94.2 Å²	94.2	79%	0.785	52%	0.521	S	S	*	.			trans	-51.6	110.9	-179.1	49.8	0	0	0	0	109.9	Q297	Q297-T299 PolarHBondContact O-N 3.5Å
300	N	59.1	Low	80.5	Confident	111 Å²	111	88.3 Å²	88.3	59%	0.594	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-60.3	150.7	165.6	-74.7	-38.3	0	0	0	108.3	V298	V298-N300 PolarHBondContact O-N 2.92Å
301	P	64.3	Low	80.9	Confident	113 Å²	113	84.6 Å²	84.6	73%	0.734	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-53.5	132.6	172.6	-18	29	0	0	0	108.6	I303	P301-I303 PolarHBondContact O-N 2.63Å
302	P	73.9	Confident	81.2	Confident	112 Å²	112	84.4 Å²	84.4	73%	0.727	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-58.6	133.4	176.8	22.8	-30.7	0	0	0	108.8	T304	P302-T304 PolarHBondContact O-N 2.88Å
303	I	80	Confident	81.5	Confident	52 Å²	52	76.9 Å²	76.9	27%	0.267	45%	0.453	S	S	.	.			trans	-63	111.8	174	-61.8	161.5	0	0	0	107.1	K91 P92 Y221 P301 E305	K91-I303 HydrophobicContact CB-CD1 4.42Å; P92-I303 HydrophobicContact CG-CD1 4.48Å; P92-I303 HydrophobicContact CG-CG2 4.07Å; Y221-I303 HydrophobicContact CD1-CG2 4.11Å; Y221-I303 HydrophobicContact CE1-CB 4.4Å; Y221-I303 HydrophobicContact CE1-CD1 3.89Å; Y221-I303 HydrophobicContact CE1-CG2 3.82Å; P301-I303 PolarHBondContact O-N 2.63Å; I303-E305 VanDerWaalsContact CG2-O 3.3Å; I303-E305 WeakPolarHBondContact CG2-O 3.44Å
304	T	75.9	Confident	82	Confident	130 Å²	130	73.9 Å²	73.9	80%	0.798	43%	0.433	S	S	*	.	S	Bend	trans	-78.3	-33.1	-174.7	48	0	0	0	0	112.5	P302	P302-T304 PolarHBondContact O-N 2.88Å
305	E	87.6	Confident	82.6	Confident	135 Å²	135	72.4 Å²	72.4	63%	0.631	42%	0.424	S	S	*	.			trans	-109.5	109	-179.3	-63.7	-172	179.5	0	0	109.7	I303	I303-E305 VanDerWaalsContact CG2-O 3.3Å; I303-E305 WeakPolarHBondContact CG2-O 3.44Å
306	K	93.6	Very high	83.6	Confident	74 Å²	74	69.5 Å²	69.5	32%	0.322	40%	0.397	S	S	.	.			trans	-92.9	-17.5	-178.2	-63.5	175.5	169.6	-164	0	113	C220 Y221 W233 L308	C220-K306 CarbonylContact C-O 3.5Å; C220-K306 VanDerWaalsContact CA-O 3.31Å; C220-K306 WeakPolarHBondContact CA-O 3.44Å; C220-K306 WeakPolarHBondContact CB-O 3.41Å; Y221-K306 PolarHBondContact N-O 3.41Å; W233-K306 HydrophobicContact CH2-CD 3.38Å; W233-K306 VanDerWaalsContact CH2-CE 3.44Å; W233-K306 HydrophobicContact CH2-CG 4.03Å; W233-K306 VanDerWaalsContact CH2-NZ 3.31Å; W233-K306 HydrophobicContact CZ2-CD 3.78Å; W233-K306 HydrophobicContact CZ3-CB 4.36Å; W233-K306 HydrophobicContact CZ3-CD 4.02Å; W233-K306 HydrophobicContact CZ3-CG 4.2Å; K306-L308 HydrophobicContact CB-CD2 3.78Å; K306-L308 HydrophobicContact CB-CG 3.87Å; K306-L308 PolarHBondContact O-N 3.48Å; K306-L308 VanDerWaalsContact O-N 3.14Å
307	D	96.8	Very high	84.9	Confident	26 Å²	26	64.2 Å²	64.2	14%	0.139	36%	0.364	C	S	.	.			trans	50.6	34	-179.6	-55.7	-66.2	0	0	0	115.6	Y222 Y229 T309 R321	Y222-D307 PolarHBondContact N-OD2 2.99Å; Y229-D307 HydrophobicContact CE1-CB 3.92Å; Y229-D307 VanDerWaalsContact CE1-O 3.26Å; Y229-D307 WeakPolarHBondContact CE1-O 3.42Å; D307-T309 PolarHBondContact O-N 3.17Å; D307-T309 PolarHBondContact O-OG1 3.2Å; D307-R321 IonicContact OD1-CZ 2.92Å; D307-R321 IonicContact OD1-NH1 2.69Å; D307-R321 PolarHBondContact OD1-NH1 3.11Å; D307-R321 IonicContact OD1-NH2 2.63Å; D307-R321 PolarHBondContact OD1-NH2 2.99Å
308	L	98.3	Very high	86.6	Confident	54 Å²	54	59.1 Å²	59.1	28%	0.283	34%	0.341	S	S	.	.			trans	-55.9	114.7	-173	-54.1	-178.6	0	0	0	112	Y218 A219 C220 W233 T265 K306	Y218-L308 HydrophobicContact CD1-CB 4.48Å; A219-L308 WeakPolarHBondContact O-CA 3.48Å; C220-L308 HydrophobicContact CB-CD2 3.81Å; W233-L308 HydrophobicContact CB-CD2 4.27Å; W233-L308 HydrophobicContact CD2-CD2 3.29Å; W233-L308 HydrophobicContact CE3-CD2 3.45Å; W233-L308 VanDerWaalsContact CE3-CD2 3.45Å; W233-L308 HydrophobicContact CG-CD2 3.65Å; W233-L308 HydrophobicContact CZ2-CD2 4.32Å; W233-L308 HydrophobicContact CZ3-CD2 4.07Å; T265-L308 HydrophobicContact CG2-CB 4.02Å; T265-L308 HydrophobicContact CG2-CD1 3.65Å; T265-L308 HydrophobicContact CG2-CG 4.36Å; K306-L308 HydrophobicContact CB-CD2 3.78Å; K306-L308 HydrophobicContact CB-CG 3.87Å; K306-L308 PolarHBondContact O-N 3.48Å; K306-L308 VanDerWaalsContact O-N 3.14Å
309	T	98.6	Very high	88.6	Confident	17 Å²	17	53 Å²	53	10%	0.104	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.4	-173.2	-58.6	0	0	0	0	109.5	Y218 A219 Y229 D307 S311 D313 V314 A317	Y218-T309 CarbonylContact C-O 3.56Å; Y218-T309 VanDerWaalsContact CA-O 3.31Å; Y218-T309 WeakPolarHBondContact CA-O 3.48Å; Y218-T309 VanDerWaalsContact CD1-C 3.42Å; A219-T309 PolarHBondContact N-O 3.13Å; A219-T309 PolarHBondContact O-N 3.42Å; Y229-T309 WeakPolarHBondContact CE1-OG1 3.33Å; Y229-T309 PolarHBondContact OH-OG1 2.77Å; D307-T309 PolarHBondContact O-N 3.17Å; D307-T309 PolarHBondContact O-OG1 3.2Å; T309-S311 PolarHBondContact O-N 3.39Å; T309-D313 HydrophobicContact CG2-CB 4.34Å; T309-V314 HydrophobicContact CG2-CG2 4.22Å; T309-A317 HydrophobicContact CG2-CB 3.77Å
310	P	98.6	Very high	90.6	Very high	33 Å²	33	51.8 Å²	51.8	21%	0.214	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	132.9	174.9	-18.5	27.3	0	0	0	110	Y218 P312 D313 V314	Y218-P310 HydrophobicContact CD1-CG 4.23Å; Y218-P310 HydrophobicContact CE1-CB 4.15Å; Y218-P310 HydrophobicContact CE1-CG 3.55Å; Y218-P310 HydrophobicContact CE2-CB 4.45Å; P310-P312 VanDerWaalsContact C-N 3.27Å; P310-P312 VanDerWaalsContact O-N 3.12Å; P310-D313 PolarHBondContact O-N 2.89Å; P310-V314 PolarHBondContact O-N 3.18Å
311	S	98.5	Very high	92.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-46	-44.5	-179	175.7	0	0	0	0	113.5	R46 H149 S217 T309 D313 V314	R46-S311 PolarHBondContact NH2-OG 3.17Å; R46-S311 VanDerWaalsContact NH2-OG 3.08Å; H149-S311 PolarHBondContact CE1-OG 2.86Å; H149-S311 PolarHBondContact ND1-OG 3.02Å; S217-S311 WeakPolarHBondContact O-CB 3.45Å; S217-S311 PolarHBondContact O-N 3.32Å; T309-S311 PolarHBondContact O-N 3.39Å; S311-D313 PolarHBondContact O-N 3.18Å; S311-D313 VanDerWaalsContact O-N 3.08Å; S311-V314 WeakPolarHBondContact O-CB 3.3Å; S311-V314 WeakPolarHBondContact O-CG2 3.21Å; S311-V314 PolarHBondContact O-N 3.48Å; S311-V314 VanDerWaalsContact O-N 3.15Å
312	P	97.8	Very high	93.8	Very high	19 Å²	19	46.5 Å²	46.5	12%	0.123	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-68.9	-11.7	-178.8	-19.5	34.9	0	0	0	115.4	P310 Y404 R407	P310-P312 VanDerWaalsContact C-N 3.27Å; P310-P312 VanDerWaalsContact O-N 3.12Å; P312-Y404 HydrophobicContact CB-CD2 3.79Å; P312-Y404 HydrophobicContact CB-CE2 3.59Å; P312-Y404 WeakPolarHBondContact O-CD2 3.2Å; P312-R407 HydrophobicContact CB-CG 3.95Å; P312-R407 HydrophobicContact CG-CG 4.15Å
313	D	97.8	Very high	94.9	Very high	58 Å²	58	43.1 Å²	43.1	31%	0.31	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-104.1	-4.4	179.9	-71.3	-30.7	0	0	0	112.6	T309 P310 S311 L316 A317 K346	T309-D313 HydrophobicContact CG2-CB 4.34Å; P310-D313 PolarHBondContact O-N 2.89Å; S311-D313 PolarHBondContact O-N 3.18Å; S311-D313 VanDerWaalsContact O-N 3.08Å; D313-L316 PolarHBondContact O-N 2.93Å; D313-A317 WeakPolarHBondContact O-CB 3.16Å; D313-A317 PolarHBondContact O-N 2.99Å; D313-K346 IonicContact OD1-NZ 3.9Å; D313-K346 PolarHBondContact OD1-NZ 3.37Å
314	V	98.3	Very high	95.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-52.5	-52.8	-179.2	163.6	0	0	0	0	112.8	A219 Y229 T309 P310 S311 L316 A317 I318	A219-V314 HydrophobicContact CB-CG2 3.46Å; A219-V314 VanDerWaalsContact CB-CG2 3.46Å; Y229-V314 HydrophobicContact CD2-CB 4.41Å; Y229-V314 HydrophobicContact CD2-CG1 3.63Å; Y229-V314 HydrophobicContact CD2-CG2 4.17Å; Y229-V314 HydrophobicContact CE2-CB 4.47Å; Y229-V314 HydrophobicContact CE2-CG1 4.02Å; Y229-V314 HydrophobicContact CE2-CG2 4.29Å; T309-V314 HydrophobicContact CG2-CG2 4.22Å; P310-V314 PolarHBondContact O-N 3.18Å; S311-V314 WeakPolarHBondContact O-CB 3.3Å; S311-V314 WeakPolarHBondContact O-CG2 3.21Å; S311-V314 PolarHBondContact O-N 3.48Å; S311-V314 VanDerWaalsContact O-N 3.15Å; V314-L316 VanDerWaalsContact C-N 3.29Å; V314-L316 PolarHBondContact O-N 3.38Å; V314-A317 PolarHBondContact O-N 3.48Å; V314-A317 VanDerWaalsContact O-N 3.13Å; V314-I318 HydrophobicContact CG1-CD1 3.76Å; V314-I318 HydrophobicContact CG1-CG1 4.35Å; V314-I318 WeakPolarHBondContact O-CG1 3.18Å; V314-I318 PolarHBondContact O-N 3.23Å
315	P	96.8	Very high	96.4	Very high	14 Å²	14	44.4 Å²	44.4	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-56.5	-43.3	180	-28	36.6	0	0	0	112.9	Y43 I318 L319	Y43-P315 HydrophobicContact CD2-CB 3.67Å; Y43-P315 HydrophobicContact CD2-CG 4.04Å; Y43-P315 HydrophobicContact CE2-CB 3.94Å; P315-I318 PolarHBondContact O-N 3.36Å; P315-L319 WeakPolarHBondContact O-CG 3.15Å; P315-L319 PolarHBondContact O-N 3.18Å; P315-L319 VanDerWaalsContact O-N 3.13Å
316	L	96.9	Very high	96.6	Very high	17 Å²	17	39.4 Å²	39.4	9%	0.089	21%	0.206	C	C	.	.	H	α-helix	trans	-71.5	-35.3	-179.6	-176	62.8	0	0	0	112	D313 V314 L319 K320 I339 L343	D313-L316 PolarHBondContact O-N 2.93Å; V314-L316 VanDerWaalsContact C-N 3.29Å; V314-L316 PolarHBondContact O-N 3.38Å; L316-L319 PolarHBondContact O-N 2.85Å; L316-K320 HydrophobicContact CG-CD 4.3Å; L316-K320 WeakPolarHBondContact O-CB 3.5Å; L316-K320 VanDerWaalsContact O-CG 3.29Å; L316-K320 WeakPolarHBondContact O-CG 3.4Å; L316-K320 PolarHBondContact O-N 3.41Å; L316-I339 HydrophobicContact CD1-CB 4.39Å; L316-I339 HydrophobicContact CD1-CG1 4.2Å; L316-I339 HydrophobicContact CD1-CG2 3.92Å; L316-L343 HydrophobicContact CD2-CD2 3.81Å
317	A	97.8	Very high	96.6	Very high	20 Å²	20	43.8 Å²	43.8	17%	0.165	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-43.4	175.8	0	0	0	0	0	111.4	Y229 T309 D313 V314 K320 R321	Y229-A317 HydrophobicContact CE2-CB 4.37Å; Y229-A317 WeakPolarHBondContact OH-CB 3.37Å; T309-A317 HydrophobicContact CG2-CB 3.77Å; D313-A317 WeakPolarHBondContact O-CB 3.16Å; D313-A317 PolarHBondContact O-N 2.99Å; V314-A317 PolarHBondContact O-N 3.48Å; V314-A317 VanDerWaalsContact O-N 3.13Å; A317-K320 PolarHBondContact O-N 3.17Å; A317-R321 WeakPolarHBondContact O-CG 3.36Å; A317-R321 PolarHBondContact O-N 3.19Å
318	I	97.9	Very high	96.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-52.8	173.3	-66.7	168.3	0	0	0	110	Y43 Y222 D227 Y229 V314 P315 K320 R321 K322	Y43-I318 HydrophobicContact CD1-CD1 3.61Å; Y43-I318 HydrophobicContact CD1-CG2 4.49Å; Y43-I318 HydrophobicContact CE1-CD1 4.11Å; Y43-I318 HydrophobicContact CE1-CG2 3.93Å; Y43-I318 HydrophobicContact CG-CD1 3.9Å; Y222-I318 HydrophobicContact CE2-CB 4.46Å; Y222-I318 HydrophobicContact CE2-CG1 4.04Å; D227-I318 VanDerWaalsContact O-CG2 3.26Å; D227-I318 WeakPolarHBondContact O-CG2 3.41Å; Y229-I318 HydrophobicContact CD2-CD1 4.26Å; Y229-I318 HydrophobicContact CD2-CG1 4.03Å; Y229-I318 HydrophobicContact CE2-CG1 3.86Å; V314-I318 HydrophobicContact CG1-CD1 3.76Å; V314-I318 HydrophobicContact CG1-CG1 4.35Å; V314-I318 WeakPolarHBondContact O-CG1 3.18Å; V314-I318 PolarHBondContact O-N 3.23Å; P315-I318 PolarHBondContact O-N 3.36Å; I318-K320 VanDerWaalsContact C-N 3.32Å; I318-K320 PolarHBondContact O-N 3.13Å; I318-R321 PolarHBondContact O-N 3.16Å; I318-R321 VanDerWaalsContact O-N 3.12Å; I318-K322 HydrophobicContact CG2-CD 4.19Å; I318-K322 HydrophobicContact CG2-CG 4.45Å; I318-K322 WeakPolarHBondContact O-CG 3.32Å; I318-K322 PolarHBondContact O-N 3.3Å
319	L	97.2	Very high	96.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-40.6	-179.1	-68.4	173.8	0	0	0	112.9	P315 L316 L323 L335 E338 I339	P315-L319 WeakPolarHBondContact O-CG 3.15Å; P315-L319 PolarHBondContact O-N 3.18Å; P315-L319 VanDerWaalsContact O-N 3.13Å; L316-L319 PolarHBondContact O-N 2.85Å; L319-L323 WeakPolarHBondContact O-CB 2.93Å; L319-L323 PolarHBondContact O-N 2.87Å; L319-L335 HydrophobicContact CD2-CD2 3.95Å; L319-E338 HydrophobicContact CD1-CB 4.42Å; L319-E338 HydrophobicContact CD1-CG 3.83Å; L319-E338 VanDerWaalsContact CD2-CD 3.4Å; L319-E338 HydrophobicContact CD2-CG 4.08Å; L319-E338 WeakPolarHBondContact CD2-OE1 3.46Å; L319-I339 HydrophobicContact CB-CD1 4.13Å; L319-I339 HydrophobicContact CB-CG1 3.64Å; L319-I339 HydrophobicContact CD1-CG1 4.2Å
320	K	96.8	Very high	96.2	Very high	103 Å²	103	57.5 Å²	57.5	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-41.3	175.7	-75.8	173.1	178.7	176	0	111.7	L316 A317 I318 L323 M324 I339	L316-K320 HydrophobicContact CG-CD 4.3Å; L316-K320 WeakPolarHBondContact O-CB 3.5Å; L316-K320 VanDerWaalsContact O-CG 3.29Å; L316-K320 WeakPolarHBondContact O-CG 3.4Å; L316-K320 PolarHBondContact O-N 3.41Å; A317-K320 PolarHBondContact O-N 3.17Å; I318-K320 VanDerWaalsContact C-N 3.32Å; I318-K320 PolarHBondContact O-N 3.13Å; K320-L323 PolarHBondContact O-N 3.16Å; K320-M324 VanDerWaalsContact O-CG 3.31Å; K320-M324 WeakPolarHBondContact O-CG 3.31Å; K320-M324 PolarHBondContact O-N 2.89Å; K320-I339 HydrophobicContact CG-CD1 4.18Å
321	R	96.4	Very high	96	Very high	63 Å²	63	57.8 Å²	57.8	24%	0.238	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-47.8	176.7	-74.9	-178.2	174.8	-112.6	-1.6	111.5	Y222 D307 A317 I318 L323 M324 S325	Y222-R321 HydrophobicContact CE1-CB 4.08Å; Y222-R321 HydrophobicContact CE1-CG 4.42Å; Y222-R321 HydrophobicContact CE2-CB 4.25Å; D307-R321 IonicContact OD1-CZ 2.92Å; D307-R321 IonicContact OD1-NH1 2.69Å; D307-R321 PolarHBondContact OD1-NH1 3.11Å; D307-R321 IonicContact OD1-NH2 2.63Å; D307-R321 PolarHBondContact OD1-NH2 2.99Å; A317-R321 WeakPolarHBondContact O-CG 3.36Å; A317-R321 PolarHBondContact O-N 3.19Å; I318-R321 PolarHBondContact O-N 3.16Å; I318-R321 VanDerWaalsContact O-N 3.12Å; R321-L323 VanDerWaalsContact C-N 3.26Å; R321-L323 PolarHBondContact O-N 2.91Å; R321-M324 HydrophobicContact CG-CE 4.11Å; R321-M324 PolarHBondContact O-N 2.95Å; R321-M324 VanDerWaalsContact O-N 3.08Å; R321-S325 PolarHBondContact O-N 2.92Å; R321-S325 PolarHBondContact O-OG 2.79Å
322	K	95.6	Very high	95.9	Very high	49 Å²	49	58.8 Å²	58.8	21%	0.213	30%	0.304	C	S	.	.	H	α-helix	trans	-54.4	-41.4	172	-71.6	-177	173.1	-170.7	0	112.8	D227 I318 S325 S326 L335	D227-K322 WeakPolarHBondContact OD2-CE 3.43Å; D227-K322 IonicContact OD2-NZ 2.67Å; I318-K322 HydrophobicContact CG2-CD 4.19Å; I318-K322 HydrophobicContact CG2-CG 4.45Å; I318-K322 WeakPolarHBondContact O-CG 3.32Å; I318-K322 PolarHBondContact O-N 3.3Å; K322-S325 PolarHBondContact O-OG 3.36Å; K322-S326 VanDerWaalsContact O-CB 3.29Å; K322-S326 WeakPolarHBondContact O-CB 3.27Å; K322-S326 PolarHBondContact O-N 3.22Å; K322-S326 VanDerWaalsContact O-N 3.09Å; K322-L335 HydrophobicContact CB-CD1 3.9Å; K322-L335 HydrophobicContact CB-CD2 3.91Å; K322-L335 HydrophobicContact CD-CD2 4.17Å
323	L	96.2	Very high	95.8	Very high	41 Å²	41	66.2 Å²	66.2	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-41.8	178.1	177	64	0	0	0	111.5	L319 K320 R321 S326 A332 L335 L336 I339	L319-L323 WeakPolarHBondContact O-CB 2.93Å; L319-L323 PolarHBondContact O-N 2.87Å; K320-L323 PolarHBondContact O-N 3.16Å; R321-L323 VanDerWaalsContact C-N 3.26Å; R321-L323 PolarHBondContact O-N 2.91Å; L323-S326 PolarHBondContact O-N 3.26Å; L323-A332 HydrophobicContact CD1-CB 3.71Å; L323-L335 HydrophobicContact CB-CB 4.3Å; L323-L335 HydrophobicContact CB-CD1 4.31Å; L323-L335 HydrophobicContact CD1-CB 4.24Å; L323-L336 HydrophobicContact CD1-CG 4.06Å; L323-L336 HydrophobicContact CD2-CD2 3.54Å; L323-L336 HydrophobicContact CD2-CG 3.89Å; L323-I339 HydrophobicContact CB-CD1 4.4Å; L323-I339 HydrophobicContact CD2-CD1 3.9Å
324	M	94	Very high	95.8	Very high	149 Å²	149	66.4 Å²	66.4	73%	0.734	34%	0.339	S	S	*	.	H	α-helix	trans	-69.1	-31.5	179.3	-70.8	-174.6	-58.1	0	0	112.9	K320 R321	K320-M324 VanDerWaalsContact O-CG 3.31Å; K320-M324 WeakPolarHBondContact O-CG 3.31Å; K320-M324 PolarHBondContact O-N 2.89Å; R321-M324 HydrophobicContact CG-CE 4.11Å; R321-M324 PolarHBondContact O-N 2.95Å; R321-M324 VanDerWaalsContact O-N 3.08Å
325	S	93	Very high	95.7	Very high	60 Å²	60	67.5 Å²	67.5	42%	0.42	34%	0.344	S	S	.	.	H	α-helix	trans	-84.8	-17.2	177.9	64.6	0	0	0	0	113.7	R321 K322	R321-S325 PolarHBondContact O-N 2.92Å; R321-S325 PolarHBondContact O-OG 2.79Å; K322-S325 PolarHBondContact O-OG 3.36Å
326	S	92	Very high	95.7	Very high	31 Å²	31	71.2 Å²	71.2	22%	0.217	36%	0.363	C	S	.	.			trans	-78.1	127.7	-177.5	-178.1	0	0	0	0	113.3	K322 L323 D328	K322-S326 VanDerWaalsContact O-CB 3.29Å; K322-S326 WeakPolarHBondContact O-CB 3.27Å; K322-S326 PolarHBondContact O-N 3.22Å; K322-S326 VanDerWaalsContact O-N 3.09Å; L323-S326 PolarHBondContact O-N 3.26Å; S326-D328 PolarHBondContact OG-N 3.23Å; S326-D328 PolarHBondContact OG-O 2.95Å
327	N	93.4	Very high	95.7	Very high	165 Å²	165	73.5 Å²	73.5	88%	0.882	38%	0.384	S	S	*	.			trans	-100.1	-1.2	169.2	-67.2	-55.4	0	0	0	113.2
328	D	96	Very high	95.7	Very high	77 Å²	77	76.2 Å²	76.2	41%	0.412	39%	0.394	S	S	.	.			trans	-92.4	116.5	177.3	-177.1	-15.2	0	0	0	110.3	S326 R330 A331 A332	S326-D328 PolarHBondContact OG-N 3.23Å; S326-D328 PolarHBondContact OG-O 2.95Å; D328-R330 PolarHBondContact O-N 3.23Å; D328-R330 WeakPolarHBondContact OD1-CB 3.28Å; D328-R330 PolarHBondContact OD1-N 3.34Å; D328-A331 HydrophobicContact CB-CB 3.95Å; D328-A331 PolarHBondContact O-N 2.79Å; D328-A332 WeakPolarHBondContact O-CB 3.26Å; D328-A332 PolarHBondContact O-N 3.45Å
329	I	94.6	Very high	95.6	Very high	115 Å²	115	77 Å²	77	59%	0.59	40%	0.398	S	S	*	.	H	α-helix	trans	-57	-35.9	179.3	-63.8	172.6	0	0	0	112.1	R333	I329-R333 WeakPolarHBondContact O-CB 3.32Å; I329-R333 VanDerWaalsContact O-CG 3.32Å; I329-R333 WeakPolarHBondContact O-CG 3.46Å; I329-R333 PolarHBondContact O-N 3.15Å
330	R	95.4	Very high	95.6	Very high	193 Å²	193	80.6 Å²	80.6	73%	0.728	42%	0.423	S	S	*	.	H	α-helix	trans	-70.5	-45.6	178.8	-69.8	-175.9	-69.3	-171.4	-1.8	110.9	D328 R333 A334	D328-R330 PolarHBondContact O-N 3.23Å; D328-R330 WeakPolarHBondContact OD1-CB 3.28Å; D328-R330 PolarHBondContact OD1-N 3.34Å; R330-R333 PolarHBondContact O-N 2.92Å; R330-A334 PolarHBondContact O-N 2.77Å
331	A	94.7	Very high	95.6	Very high	39 Å²	39	79.1 Å²	79.1	32%	0.322	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-44.8	175.2	0	0	0	0	0	111.2	D328 R333 A334 L335	D328-A331 HydrophobicContact CB-CB 3.95Å; D328-A331 PolarHBondContact O-N 2.79Å; A331-R333 VanDerWaalsContact C-N 3.33Å; A331-R333 PolarHBondContact O-N 3.41Å; A331-A334 PolarHBondContact O-N 2.81Å; A331-A334 VanDerWaalsContact O-N 3.14Å; A331-L335 WeakPolarHBondContact O-CG 3.45Å; A331-L335 PolarHBondContact O-N 3.17Å
332	A	95.8	Very high	95.5	Very high	22 Å²	22	78.2 Å²	78.2	18%	0.182	42%	0.424	C	S	.	.	H	α-helix	trans	-59.3	-41.1	176.9	0	0	0	0	0	112.4	L323 D328 L335 L336	L323-A332 HydrophobicContact CD1-CB 3.71Å; D328-A332 WeakPolarHBondContact O-CB 3.26Å; D328-A332 PolarHBondContact O-N 3.45Å; A332-L335 PolarHBondContact O-N 3.02Å; A332-L336 WeakPolarHBondContact O-CB 3.27Å; A332-L336 WeakPolarHBondContact O-CG 3.36Å; A332-L336 PolarHBondContact O-N 3Å
333	R	96.3	Very high	95.6	Very high	175 Å²	175	80 Å²	80	66%	0.66	44%	0.435	S	S	*	.	H	α-helix	trans	-64.4	-41.1	174.4	-78.4	176.8	-179.6	168	1.6	112.7	I329 R330 A331 L336 A337	I329-R333 WeakPolarHBondContact O-CB 3.32Å; I329-R333 VanDerWaalsContact O-CG 3.32Å; I329-R333 WeakPolarHBondContact O-CG 3.46Å; I329-R333 PolarHBondContact O-N 3.15Å; R330-R333 PolarHBondContact O-N 2.92Å; A331-R333 VanDerWaalsContact C-N 3.33Å; A331-R333 PolarHBondContact O-N 3.41Å; R333-L336 PolarHBondContact O-N 3.41Å; R333-A337 PolarHBondContact O-N 3Å; R333-A337 VanDerWaalsContact O-N 3.09Å
334	A	96.7	Very high	95.6	Very high	62 Å²	62	83.2 Å²	83.2	51%	0.512	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-46.8	176.6	0	0	0	0	0	111.2	R330 A331 L336 A337 E338	R330-A334 PolarHBondContact O-N 2.77Å; A331-A334 PolarHBondContact O-N 2.81Å; A331-A334 VanDerWaalsContact O-N 3.14Å; A334-L336 PolarHBondContact O-N 3.49Å; A334-A337 WeakPolarHBondContact O-CB 3.47Å; A334-A337 PolarHBondContact O-N 3.01Å; A334-A337 VanDerWaalsContact O-N 3.15Å; A334-E338 PolarHBondContact O-N 3.34Å
335	L	97	Very high	95.7	Very high	22 Å²	22	77.6 Å²	77.6	12%	0.115	42%	0.422	C	S	.	.	H	α-helix	trans	-61.4	-41.4	176.8	-71.1	165.2	0	0	0	112.3	L319 K322 L323 A331 A332 A337 E338 I339	L319-L335 HydrophobicContact CD2-CD2 3.95Å; K322-L335 HydrophobicContact CB-CD1 3.9Å; K322-L335 HydrophobicContact CB-CD2 3.91Å; K322-L335 HydrophobicContact CD-CD2 4.17Å; L323-L335 HydrophobicContact CB-CB 4.3Å; L323-L335 HydrophobicContact CB-CD1 4.31Å; L323-L335 HydrophobicContact CD1-CB 4.24Å; A331-L335 WeakPolarHBondContact O-CG 3.45Å; A331-L335 PolarHBondContact O-N 3.17Å; A332-L335 PolarHBondContact O-N 3.02Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.28Å; L335-E338 PolarHBondContact O-N 2.91Å; L335-I339 WeakPolarHBondContact O-CB 3.33Å; L335-I339 VanDerWaalsContact O-CG1 3.26Å; L335-I339 WeakPolarHBondContact O-CG1 3.15Å; L335-I339 PolarHBondContact O-N 2.9Å
336	L	96.9	Very high	95.9	Very high	93 Å²	93	76.6 Å²	76.6	49%	0.487	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-39.7	174.4	-79.6	169.4	0	0	0	112.4	L323 A332 R333 A334 S340	L323-L336 HydrophobicContact CD1-CG 4.06Å; L323-L336 HydrophobicContact CD2-CD2 3.54Å; L323-L336 HydrophobicContact CD2-CG 3.89Å; A332-L336 WeakPolarHBondContact O-CB 3.27Å; A332-L336 WeakPolarHBondContact O-CG 3.36Å; A332-L336 PolarHBondContact O-N 3Å; R333-L336 PolarHBondContact O-N 3.41Å; A334-L336 PolarHBondContact O-N 3.49Å; L336-S340 WeakPolarHBondContact O-CB 2.83Å; L336-S340 PolarHBondContact O-N 3.4Å
337	A	96.9	Very high	96.1	Very high	64 Å²	64	79.6 Å²	79.6	53%	0.529	42%	0.42	S	S	.	.	H	α-helix	trans	-66	-42	176.1	0	0	0	0	0	111.5	R333 A334 L335 S340 S341	R333-A337 PolarHBondContact O-N 3Å; R333-A337 VanDerWaalsContact O-N 3.09Å; A334-A337 WeakPolarHBondContact O-CB 3.47Å; A334-A337 PolarHBondContact O-N 3.01Å; A334-A337 VanDerWaalsContact O-N 3.15Å; L335-A337 VanDerWaalsContact C-N 3.33Å; L335-A337 PolarHBondContact O-N 3.28Å; A337-S340 PolarHBondContact O-N 3.29Å; A337-S341 WeakPolarHBondContact O-CB 3.26Å; A337-S341 PolarHBondContact O-N 2.74Å
338	E	96.1	Very high	96.3	Very high	77 Å²	77	73.9 Å²	73.9	36%	0.36	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-47.2	176	-166.5	176.4	168.4	0	0	111.5	L319 A334 L335 S340 S341 H342	L319-E338 HydrophobicContact CD1-CB 4.42Å; L319-E338 HydrophobicContact CD1-CG 3.83Å; L319-E338 VanDerWaalsContact CD2-CD 3.4Å; L319-E338 HydrophobicContact CD2-CG 4.08Å; L319-E338 WeakPolarHBondContact CD2-OE1 3.46Å; A334-E338 PolarHBondContact O-N 3.34Å; L335-E338 PolarHBondContact O-N 2.91Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.36Å; E338-S341 WeakPolarHBondContact O-CB 3.45Å; E338-S341 PolarHBondContact O-N 2.82Å; E338-S341 VanDerWaalsContact O-N 3.1Å; E338-H342 PolarHBondContact O-CD2 3.3Å; E338-H342 PolarHBondContact O-N 3.07Å
339	I	97.4	Very high	96.4	Very high	17 Å²	17	70.2 Å²	70.2	9%	0.087	37%	0.372	C	S	.	.	H	α-helix	trans	-55.1	-47.8	173.2	-73.4	167.2	0	0	0	110.9	L316 L319 K320 L323 L335 S341 H342 L343	L316-I339 HydrophobicContact CD1-CB 4.39Å; L316-I339 HydrophobicContact CD1-CG1 4.2Å; L316-I339 HydrophobicContact CD1-CG2 3.92Å; L319-I339 HydrophobicContact CB-CD1 4.13Å; L319-I339 HydrophobicContact CB-CG1 3.64Å; L319-I339 HydrophobicContact CD1-CG1 4.2Å; K320-I339 HydrophobicContact CG-CD1 4.18Å; L323-I339 HydrophobicContact CB-CD1 4.4Å; L323-I339 HydrophobicContact CD2-CD1 3.9Å; L335-I339 WeakPolarHBondContact O-CB 3.33Å; L335-I339 VanDerWaalsContact O-CG1 3.26Å; L335-I339 WeakPolarHBondContact O-CG1 3.15Å; L335-I339 PolarHBondContact O-N 2.9Å; I339-S341 VanDerWaalsContact C-N 3.29Å; I339-S341 PolarHBondContact O-N 3.21Å; I339-H342 PolarHBondContact O-N 3.39Å; I339-L343 HydrophobicContact CG2-CD1 4.01Å; I339-L343 WeakPolarHBondContact O-CG 3.1Å; I339-L343 PolarHBondContact O-N 2.86Å
340	S	97.3	Very high	96.5	Very high	76 Å²	76	66.7 Å²	66.7	53%	0.531	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-38.4	178.5	-172.9	0	0	0	0	112	L336 A337 E338 K344	L336-S340 WeakPolarHBondContact O-CB 2.83Å; L336-S340 PolarHBondContact O-N 3.4Å; A337-S340 PolarHBondContact O-N 3.29Å; E338-S340 VanDerWaalsContact C-N 3.32Å; E338-S340 PolarHBondContact O-N 3.36Å; S340-K344 WeakPolarHBondContact O-CB 3.26Å; S340-K344 PolarHBondContact O-N 3.35Å
341	S	95.8	Very high	96.6	Very high	71 Å²	71	61.5 Å²	61.5	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-63.9	-49.4	175.8	-173.4	0	0	0	0	111.3	A337 E338 I339 L343 K344 V345	A337-S341 WeakPolarHBondContact O-CB 3.26Å; A337-S341 PolarHBondContact O-N 2.74Å; E338-S341 WeakPolarHBondContact O-CB 3.45Å; E338-S341 PolarHBondContact O-N 2.82Å; E338-S341 VanDerWaalsContact O-N 3.1Å; I339-S341 VanDerWaalsContact C-N 3.29Å; I339-S341 PolarHBondContact O-N 3.21Å; S341-L343 VanDerWaalsContact C-N 3.35Å; S341-L343 PolarHBondContact O-N 3.19Å; S341-K344 PolarHBondContact O-N 3.26Å; S341-K344 VanDerWaalsContact O-N 3.13Å; S341-V345 WeakPolarHBondContact O-CG2 3.27Å; S341-V345 PolarHBondContact O-N 3.25Å
342	H	95.1	Very high	96.8	Very high	44 Å²	44	60.3 Å²	60.3	20%	0.204	33%	0.332	C	S	.	.	H	α-helix	trans	-57.7	-45.1	176.5	-86.7	-87.3	0	0	0	112.4	E338 I339 K344 V345 K346	E338-H342 PolarHBondContact O-CD2 3.3Å; E338-H342 PolarHBondContact O-N 3.07Å; I339-H342 PolarHBondContact O-N 3.39Å; H342-K344 VanDerWaalsContact C-N 3.32Å; H342-K344 PolarHBondContact O-N 3.29Å; H342-V345 PolarHBondContact O-N 3.08Å; H342-K346 WeakPolarHBondContact O-CG 3.38Å; H342-K346 PolarHBondContact O-N 3.23Å
343	L	97.1	Very high	96.9	Very high	87 Å²	87	59.3 Å²	59.3	46%	0.455	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-40.5	176.9	-70.8	174.1	0	0	0	111.8	L316 I339 S341 V345 K346 E347	L316-L343 HydrophobicContact CD2-CD2 3.81Å; I339-L343 HydrophobicContact CG2-CD1 4.01Å; I339-L343 WeakPolarHBondContact O-CG 3.1Å; I339-L343 PolarHBondContact O-N 2.86Å; S341-L343 VanDerWaalsContact C-N 3.35Å; S341-L343 PolarHBondContact O-N 3.19Å; L343-V345 VanDerWaalsContact C-N 3.35Å; L343-K346 PolarHBondContact O-N 3.38Å; L343-E347 PolarHBondContact O-N 2.84Å
344	K	96.8	Very high	97	Very high	108 Å²	108	56 Å²	56	47%	0.47	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-37.4	177.2	-173.6	63	-168	167.1	0	112.2	S340 S341 H342 E347 T348	S340-K344 WeakPolarHBondContact O-CB 3.26Å; S340-K344 PolarHBondContact O-N 3.35Å; S341-K344 PolarHBondContact O-N 3.26Å; S341-K344 VanDerWaalsContact O-N 3.13Å; H342-K344 VanDerWaalsContact C-N 3.32Å; H342-K344 PolarHBondContact O-N 3.29Å; K344-E347 WeakPolarHBondContact CD-OE2 3.38Å; K344-E347 IonicContact NZ-OE2 3.21Å; K344-E347 PolarHBondContact NZ-OE2 3.42Å; K344-E347 PolarHBondContact O-N 3.1Å; K344-T348 WeakPolarHBondContact O-CB 3.39Å; K344-T348 PolarHBondContact O-N 3.08Å; K344-T348 PolarHBondContact O-OG1 3.01Å
345	V	95.6	Very high	97.1	Very high	32 Å²	32	57.4 Å²	57.4	19%	0.194	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-45.5	174.4	176.2	0	0	0	0	110.6	S341 H342 L343 E347 T348 L349 E401 F402	S341-V345 WeakPolarHBondContact O-CG2 3.27Å; S341-V345 PolarHBondContact O-N 3.25Å; H342-V345 PolarHBondContact O-N 3.08Å; L343-V345 VanDerWaalsContact C-N 3.35Å; V345-E347 VanDerWaalsContact C-N 3.32Å; V345-E347 PolarHBondContact O-N 3.19Å; V345-T348 WeakPolarHBondContact O-CB 3.31Å; V345-T348 PolarHBondContact O-N 3.2Å; V345-T348 VanDerWaalsContact O-N 3.11Å; V345-L349 HydrophobicContact CG1-CD1 4.01Å; V345-L349 HydrophobicContact CG1-CG 4.15Å; V345-L349 VanDerWaalsContact O-CG 3.27Å; V345-L349 WeakPolarHBondContact O-CG 3.41Å; V345-L349 PolarHBondContact O-N 3.13Å; V345-E401 VanDerWaalsContact CG1-O 3.26Å; V345-E401 WeakPolarHBondContact CG1-O 3.24Å; V345-F402 HydrophobicContact CG1-CD1 3.9Å; V345-F402 HydrophobicContact CG1-CE1 4.16Å
346	K	96.9	Very high	97.2	Very high	39 Å²	39	56.4 Å²	56.4	17%	0.17	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-43.7	175.7	-69.9	-178.5	74.3	154.8	0	112.2	D313 H342 L343 A350 Y404	D313-K346 IonicContact OD1-NZ 3.9Å; D313-K346 PolarHBondContact OD1-NZ 3.37Å; H342-K346 WeakPolarHBondContact O-CG 3.38Å; H342-K346 PolarHBondContact O-N 3.23Å; L343-K346 PolarHBondContact O-N 3.38Å; K346-A350 PolarHBondContact O-N 2.86Å; K346-Y404 HydrophobicContact CB-CD1 4.33Å; K346-Y404 HydrophobicContact CD-CD1 4.39Å; K346-Y404 HydrophobicContact CD-CD2 4.19Å; K346-Y404 HydrophobicContact CD-CE2 4.34Å; K346-Y404 HydrophobicContact CD-CG 4.22Å; K346-Y404 VanDerWaalsContact CE-CD2 3.47Å; K346-Y404 HydrophobicContact CG-CD1 3.9Å; K346-Y404 HydrophobicContact CG-CD2 4.4Å; K346-Y404 HydrophobicContact CG-CE1 4.36Å; K346-Y404 HydrophobicContact CG-CG 3.92Å
347	E	97.3	Very high	97.3	Very high	93 Å²	93	52 Å²	52	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-48.9	173.9	-175.3	-179.1	-136.1	0	0	111.3	L343 K344 V345 L349 A350 E351	L343-E347 PolarHBondContact O-N 2.84Å; K344-E347 WeakPolarHBondContact CD-OE2 3.38Å; K344-E347 IonicContact NZ-OE2 3.21Å; K344-E347 PolarHBondContact NZ-OE2 3.42Å; K344-E347 PolarHBondContact O-N 3.1Å; V345-E347 VanDerWaalsContact C-N 3.32Å; V345-E347 PolarHBondContact O-N 3.19Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.11Å; E347-A350 PolarHBondContact O-N 2.87Å; E347-E351 HydrophobicContact CG-CG 4.38Å; E347-E351 WeakPolarHBondContact O-CB 3.47Å; E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.48Å
348	T	97.1	Very high	97.3	Very high	46 Å²	46	52.4 Å²	52.4	28%	0.282	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-41.7	179.6	-55.1	0	0	0	0	112.4	K344 V345 T352 F395	K344-T348 WeakPolarHBondContact O-CB 3.39Å; K344-T348 PolarHBondContact O-N 3.08Å; K344-T348 PolarHBondContact O-OG1 3.01Å; V345-T348 WeakPolarHBondContact O-CB 3.31Å; V345-T348 PolarHBondContact O-N 3.2Å; V345-T348 VanDerWaalsContact O-N 3.11Å; T348-T352 VanDerWaalsContact O-CB 3.26Å; T348-T352 WeakPolarHBondContact O-CB 3.26Å; T348-T352 PolarHBondContact O-N 2.67Å; T348-T352 PolarHBondContact O-OG1 3.35Å; T348-F395 HydrophobicContact CG2-CZ 4.26Å
349	L	97.4	Very high	97.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-47.1	176.8	-69.1	171.9	0	0	0	111.2	V345 E347 T352 M353 F395 F402 Y404 A405	V345-L349 HydrophobicContact CG1-CD1 4.01Å; V345-L349 HydrophobicContact CG1-CG 4.15Å; V345-L349 VanDerWaalsContact O-CG 3.27Å; V345-L349 WeakPolarHBondContact O-CG 3.41Å; V345-L349 PolarHBondContact O-N 3.13Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.11Å; L349-T352 PolarHBondContact O-N 3.05Å; L349-M353 PolarHBondContact O-N 3.06Å; L349-F395 HydrophobicContact CD2-CB 3.78Å; L349-F395 HydrophobicContact CD2-CD1 3.52Å; L349-F395 HydrophobicContact CD2-CD2 3.37Å; L349-F395 HydrophobicContact CD2-CE1 3.85Å; L349-F395 HydrophobicContact CD2-CE2 3.68Å; L349-F395 HydrophobicContact CD2-CG 3.25Å; L349-F395 HydrophobicContact CD2-CZ 3.92Å; L349-F402 HydrophobicContact CD2-CD1 4.5Å; L349-Y404 HydrophobicContact CD1-CD1 4.43Å; L349-A405 HydrophobicContact CD1-CB 4.36Å; L349-A405 HydrophobicContact CD2-CB 3.9Å
350	A	97.7	Very high	97.5	Very high	40 Å²	40	55.3 Å²	55.3	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-45.7	179.8	0	0	0	0	0	112.1	K346 E347 M353 R354	K346-A350 PolarHBondContact O-N 2.86Å; E347-A350 PolarHBondContact O-N 2.87Å; A350-M353 PolarHBondContact O-N 2.66Å; A350-R354 WeakPolarHBondContact O-CB 3.33Å; A350-R354 PolarHBondContact O-N 3.01Å
351	E	97.6	Very high	97.5	Very high	85 Å²	85	52.4 Å²	52.4	40%	0.397	26%	0.261	S	S	.	.	H	α-helix	trans	-62.6	-43.4	176.9	-72.7	179.4	166	0	0	111.7	E347 R354 H355	E347-E351 HydrophobicContact CG-CG 4.38Å; E347-E351 WeakPolarHBondContact O-CB 3.47Å; E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.48Å; E351-R354 WeakPolarHBondContact O-CB 3.43Å; E351-R354 PolarHBondContact O-N 3.17Å; E351-H355 PolarHBondContact O-N 3.33Å; E351-H355 PolarHBondContact O-ND1 2.83Å
352	T	98.1	Very high	97.6	Very high	13 Å²	13	52.4 Å²	52.4	8%	0.08	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-46.9	178.6	-58.1	0	0	0	0	111.1	T348 L349 R354 H355 I356 F395 V432	T348-T352 VanDerWaalsContact O-CB 3.26Å; T348-T352 WeakPolarHBondContact O-CB 3.26Å; T348-T352 PolarHBondContact O-N 2.67Å; T348-T352 PolarHBondContact O-OG1 3.35Å; L349-T352 PolarHBondContact O-N 3.05Å; T352-R354 VanDerWaalsContact C-N 3.33Å; T352-R354 PolarHBondContact O-N 3.18Å; T352-H355 PolarHBondContact O-N 2.87Å; T352-I356 HydrophobicContact CG2-CD1 4.03Å; T352-I356 WeakPolarHBondContact O-CG1 3.39Å; T352-I356 PolarHBondContact O-N 3.46Å; T352-F395 HydrophobicContact CG2-CE2 3.62Å; T352-F395 HydrophobicContact CG2-CZ 4.19Å; T352-V432 HydrophobicContact CG2-CG1 4.12Å
353	M	98.4	Very high	97.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-61.3	-42.5	176.3	-175.5	59.5	69.9	0	0	111.6	L349 A350 H355 I356 V357 Y390 H408 A411 L412	L349-M353 PolarHBondContact O-N 3.06Å; A350-M353 PolarHBondContact O-N 2.66Å; M353-H355 PolarHBondContact O-N 3.23Å; M353-I356 PolarHBondContact O-N 2.83Å; M353-V357 WeakPolarHBondContact O-CG2 3.25Å; M353-V357 PolarHBondContact O-N 2.81Å; M353-V357 HydrophobicContact SD-CG2 4.42Å; M353-Y390 HydrophobicContact CE-CD1 4.5Å; M353-Y390 HydrophobicContact CE-CD2 4.17Å; M353-Y390 HydrophobicContact CE-CE1 4.01Å; M353-Y390 HydrophobicContact CE-CE2 3.63Å; M353-H408 HydrophobicContact CB-CB 4.18Å; M353-H408 HydrophobicContact CE-CB 4Å; M353-H408 HydrophobicContact CG-CB 4.08Å; M353-A411 HydrophobicContact CG-CB 3.81Å; M353-A411 HydrophobicContact SD-CB 3.91Å; M353-L412 HydrophobicContact CE-CD1 4.34Å; M353-L412 HydrophobicContact CE-CD2 3.98Å; M353-L412 HydrophobicContact CE-CG 3.99Å; M353-L412 HydrophobicContact SD-CD2 3.78Å; M353-L412 HydrophobicContact SD-CG 4.3Å
354	R	98.5	Very high	97.6	Very high	105 Å²	105	54.9 Å²	54.9	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-46.6	175.9	-179.5	-177.6	-177.8	93.6	7	111.7	A350 E351 T352 V357 E358 T367 E368 L371	A350-R354 WeakPolarHBondContact O-CB 3.33Å; A350-R354 PolarHBondContact O-N 3.01Å; E351-R354 WeakPolarHBondContact O-CB 3.43Å; E351-R354 PolarHBondContact O-N 3.17Å; T352-R354 VanDerWaalsContact C-N 3.33Å; T352-R354 PolarHBondContact O-N 3.18Å; R354-V357 PolarHBondContact O-N 3.41Å; R354-E358 WeakPolarHBondContact O-CB 3.13Å; R354-E358 PolarHBondContact O-N 2.91Å; R354-T367 HydrophobicContact CG-CG2 4.4Å; R354-E368 IonicContact CZ-OE1 3.08Å; R354-E368 IonicContact NH1-OE1 3.63Å; R354-E368 PolarHBondContact NH1-OE1 2.71Å; R354-E368 IonicContact NH2-OE1 3.96Å; R354-E368 PolarHBondContact NH2-OE1 2.83Å; R354-L371 HydrophobicContact CB-CD1 4.11Å; R354-L371 HydrophobicContact CG-CD1 3.9Å
355	H	98.2	Very high	97.6	Very high	93 Å²	93	56.1 Å²	56.1	43%	0.431	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-36.8	177.8	-69.5	153.1	0	0	0	112.9	E351 T352 M353 E358 K359 V432	E351-H355 PolarHBondContact O-N 3.33Å; E351-H355 PolarHBondContact O-ND1 2.83Å; T352-H355 PolarHBondContact O-N 2.87Å; M353-H355 PolarHBondContact O-N 3.23Å; H355-E358 IonicContact CD2-OE2 3.19Å; H355-E358 PolarHBondContact O-N 3.15Å; H355-K359 VanDerWaalsContact O-CB 3.28Å; H355-K359 WeakPolarHBondContact O-CB 3.27Å; H355-K359 PolarHBondContact O-N 2.91Å; H355-V432 HydrophobicContact CB-CG1 3.58Å; H355-V432 HydrophobicContact CB-CG2 4.35Å
356	I	98.6	Very high	97.7	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-51.5	172.3	-69.3	160.7	0	0	0	109.7	T352 M353 E358 K359 V360 Y390 A428 M429 V432	T352-I356 HydrophobicContact CG2-CD1 4.03Å; T352-I356 WeakPolarHBondContact O-CG1 3.39Å; T352-I356 PolarHBondContact O-N 3.46Å; M353-I356 PolarHBondContact O-N 2.83Å; I356-E358 VanDerWaalsContact C-N 3.32Å; I356-E358 PolarHBondContact O-N 3.18Å; I356-K359 WeakPolarHBondContact O-CB 3.49Å; I356-K359 PolarHBondContact O-N 3.47Å; I356-K359 VanDerWaalsContact O-N 3.17Å; I356-V360 WeakPolarHBondContact O-CG2 3.39Å; I356-V360 PolarHBondContact O-N 3.03Å; I356-Y390 HydrophobicContact CD1-CD2 3.92Å; I356-Y390 HydrophobicContact CD1-CE2 3.54Å; I356-A428 HydrophobicContact CG2-CB 4.29Å; I356-M429 HydrophobicContact CD1-CG 3.98Å; I356-M429 HydrophobicContact CG1-CG 4.3Å; I356-M429 HydrophobicContact CG2-CG 4Å; I356-V432 HydrophobicContact CG1-CB 3.93Å; I356-V432 HydrophobicContact CG1-CG1 3.93Å; I356-V432 HydrophobicContact CG1-CG2 4.41Å
357	V	98.7	Very high	97.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-45.8	179	173.1	0	0	0	0	110.5	M353 R354 K359 V360 T361 T367 V370 L371 A411 L415	M353-V357 WeakPolarHBondContact O-CG2 3.25Å; M353-V357 PolarHBondContact O-N 2.81Å; M353-V357 HydrophobicContact SD-CG2 4.42Å; R354-V357 PolarHBondContact O-N 3.41Å; V357-K359 VanDerWaalsContact C-N 3.32Å; V357-K359 PolarHBondContact O-N 3.47Å; V357-V360 PolarHBondContact O-N 2.98Å; V357-T361 HydrophobicContact CG1-CG2 4.03Å; V357-T361 VanDerWaalsContact O-CG2 3.25Å; V357-T361 WeakPolarHBondContact O-CG2 3.35Å; V357-T361 PolarHBondContact O-N 3.42Å; V357-T361 PolarHBondContact O-OG1 3.32Å; V357-T361 VanDerWaalsContact O-OG1 3.13Å; V357-T367 HydrophobicContact CB-CG2 4.29Å; V357-T367 HydrophobicContact CG1-CG2 3.82Å; V357-V370 HydrophobicContact CG1-CB 3.69Å; V357-V370 HydrophobicContact CG1-CG1 3.58Å; V357-V370 HydrophobicContact CG1-CG2 4.24Å; V357-V370 HydrophobicContact CG2-CG1 4.02Å; V357-L371 HydrophobicContact CG2-CD2 4Å; V357-A411 HydrophobicContact CG2-CB 4.16Å; V357-L415 HydrophobicContact CG1-CD2 4.31Å; V357-L415 HydrophobicContact CG2-CD1 4.08Å; V357-L415 HydrophobicContact CG2-CG 4.45Å
358	E	98.4	Very high	97.8	Very high	74 Å²	74	56.2 Å²	56.2	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-60.8	-40	177.2	-174.8	176.3	-173.4	0	0	113.1	R354 H355 I356 V360 T361 G362 T367	R354-E358 WeakPolarHBondContact O-CB 3.13Å; R354-E358 PolarHBondContact O-N 2.91Å; H355-E358 IonicContact CD2-OE2 3.19Å; H355-E358 PolarHBondContact O-N 3.15Å; I356-E358 VanDerWaalsContact C-N 3.32Å; I356-E358 PolarHBondContact O-N 3.18Å; E358-V360 VanDerWaalsContact C-N 3.33Å; E358-V360 PolarHBondContact O-N 3.39Å; E358-T361 PolarHBondContact O-N 3.28Å; E358-T361 PolarHBondContact O-OG1 2.7Å; E358-G362 WeakPolarHBondContact O-CA 3.45Å; E358-G362 PolarHBondContact O-N 2.91Å; E358-T367 VanDerWaalsContact CA-OG1 3.26Å; E358-T367 WeakPolarHBondContact CA-OG1 3.26Å; E358-T367 HydrophobicContact CB-CG2 4.24Å
359	K	98.2	Very high	97.8	Very high	135 Å²	135	59.7 Å²	59.7	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-65.1	-37.5	176.5	-172.1	67.8	171.6	-170.3	0	112	H355 I356 V357 A428 V432	H355-K359 VanDerWaalsContact O-CB 3.28Å; H355-K359 WeakPolarHBondContact O-CB 3.27Å; H355-K359 PolarHBondContact O-N 2.91Å; I356-K359 WeakPolarHBondContact O-CB 3.49Å; I356-K359 PolarHBondContact O-N 3.47Å; I356-K359 VanDerWaalsContact O-N 3.17Å; V357-K359 VanDerWaalsContact C-N 3.32Å; V357-K359 PolarHBondContact O-N 3.47Å; K359-A428 HydrophobicContact CB-CB 3.87Å; K359-A428 HydrophobicContact CG-CB 3.74Å; K359-V432 HydrophobicContact CB-CG2 4.22Å; K359-V432 HydrophobicContact CG-CG2 4.45Å
360	V	98.5	Very high	97.8	Very high	20 Å²	20	59.7 Å²	59.7	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-71.6	-44.8	176.6	175.7	0	0	0	0	111.6	I356 V357 E358 L415 Y420 I425 A428	I356-V360 WeakPolarHBondContact O-CG2 3.39Å; I356-V360 PolarHBondContact O-N 3.03Å; V357-V360 PolarHBondContact O-N 2.98Å; E358-V360 VanDerWaalsContact C-N 3.33Å; E358-V360 PolarHBondContact O-N 3.39Å; V360-L415 HydrophobicContact CB-CD1 4.43Å; V360-L415 HydrophobicContact CB-CD2 4.23Å; V360-L415 HydrophobicContact CG1-CD1 4.46Å; V360-L415 HydrophobicContact CG1-CD2 3.86Å; V360-L415 HydrophobicContact CG2-CD1 4.25Å; V360-Y420 HydrophobicContact CG1-CD1 3.54Å; V360-Y420 HydrophobicContact CG1-CD2 4.31Å; V360-Y420 HydrophobicContact CG1-CE1 4.14Å; V360-Y420 HydrophobicContact CG1-CG 3.64Å; V360-I425 HydrophobicContact CG1-CG1 4.27Å; V360-I425 HydrophobicContact CG2-CB 4.44Å; V360-I425 HydrophobicContact CG2-CG1 4.22Å; V360-A428 HydrophobicContact CG2-CB 3.42Å; V360-A428 VanDerWaalsContact CG2-CB 3.42Å
361	T	98.1	Very high	97.8	Very high	15 Å²	15	58.8 Å²	58.8	9%	0.092	30%	0.299	C	S	.	.	H	α-helix	trans	-80.5	-28.8	-173.7	64.5	0	0	0	0	112.9	V357 E358 S363 K366 T367 V370 L415 Y420	V357-T361 HydrophobicContact CG1-CG2 4.03Å; V357-T361 VanDerWaalsContact O-CG2 3.25Å; V357-T361 WeakPolarHBondContact O-CG2 3.35Å; V357-T361 PolarHBondContact O-N 3.42Å; V357-T361 PolarHBondContact O-OG1 3.32Å; V357-T361 VanDerWaalsContact O-OG1 3.13Å; E358-T361 PolarHBondContact O-N 3.28Å; E358-T361 PolarHBondContact O-OG1 2.7Å; T361-S363 PolarHBondContact O-N 3.44Å; T361-S363 PolarHBondContact OG1-N 3.29Å; T361-S363 PolarHBondContact OG1-O 3.46Å; T361-K366 HydrophobicContact CG2-CB 4.03Å; T361-T367 PolarHBondContact OG1-OG1 2.89Å; T361-V370 HydrophobicContact CG2-CG2 4.15Å; T361-L415 HydrophobicContact CG2-CD2 4.25Å; T361-Y420 HydrophobicContact CG2-CE2 4.31Å
362	G	97.4	Very high	97.8	Very high	71 Å²	71	60.5 Å²	60.5	73%	0.732	31%	0.311	S	S	*	.			trans	60.6	17.4	-172	0	0	0	0	0	113.8	E358	E358-G362 WeakPolarHBondContact O-CA 3.45Å; E358-G362 PolarHBondContact O-N 2.91Å
363	S	96.8	Very high	97.6	Very high	39 Å²	39	62.8 Å²	62.8	27%	0.273	32%	0.323	S	S	.	.			trans	-152.2	122.1	-172.4	175.6	0	0	0	0	111.9	T361 L365 K366 T367	T361-S363 PolarHBondContact O-N 3.44Å; T361-S363 PolarHBondContact OG1-N 3.29Å; T361-S363 PolarHBondContact OG1-O 3.46Å; S363-L365 VanDerWaalsContact C-N 3.28Å; S363-L365 PolarHBondContact O-N 2.95Å; S363-K366 PolarHBondContact O-N 2.75Å; S363-T367 PolarHBondContact O-N 2.69Å; S363-T367 PolarHBondContact O-OG1 2.88Å
364	M	95.2	Very high	97.5	Very high	143 Å²	143	67.5 Å²	67.5	70%	0.704	34%	0.34	S	S	*	.	H	α-helix	trans	-55.1	-41.1	176.7	-72.3	-172.5	-88	0	0	113	T367 E368	M364-T367 WeakPolarHBondContact O-CB 3.28Å; M364-T367 PolarHBondContact O-N 3.01Å; M364-E368 PolarHBondContact O-N 2.95Å; M364-E368 VanDerWaalsContact O-N 3.1Å
365	L	96.8	Very high	97.4	Very high	135 Å²	135	64 Å²	64	71%	0.707	33%	0.332	S	S	*	.	H	α-helix	trans	-63.2	-48.1	178.8	-75	171.5	0	0	0	111.6	S363 T367 E368 E369	S363-L365 VanDerWaalsContact C-N 3.28Å; S363-L365 PolarHBondContact O-N 2.95Å; L365-T367 VanDerWaalsContact C-N 3.29Å; L365-T367 PolarHBondContact O-N 3.24Å; L365-E368 PolarHBondContact O-N 3.32Å; L365-E369 WeakPolarHBondContact O-CG 3.43Å; L365-E369 PolarHBondContact O-N 3.47Å; L365-E369 VanDerWaalsContact O-N 3.07Å
366	K	97.5	Very high	97.3	Very high	101 Å²	101	63.7 Å²	63.7	44%	0.439	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-32.8	177.7	-66.7	-174.6	178.4	-177.4	0	112.2	T361 S363 E369 V370	T361-K366 HydrophobicContact CG2-CB 4.03Å; S363-K366 PolarHBondContact O-N 2.75Å; K366-E369 PolarHBondContact O-N 3.24Å; K366-V370 VanDerWaalsContact O-CG2 3.27Å; K366-V370 WeakPolarHBondContact O-CG2 3.33Å; K366-V370 PolarHBondContact O-N 3.02Å
367	T	98.1	Very high	97.3	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.012	34%	0.34	C	S	.	.	H	α-helix	trans	-59.9	-48.5	174	-62	0	0	0	0	111.2	R354 V357 E358 T361 S363 M364 L365 E369 V370 L371	R354-T367 HydrophobicContact CG-CG2 4.4Å; V357-T367 HydrophobicContact CB-CG2 4.29Å; V357-T367 HydrophobicContact CG1-CG2 3.82Å; E358-T367 VanDerWaalsContact CA-OG1 3.26Å; E358-T367 WeakPolarHBondContact CA-OG1 3.26Å; E358-T367 HydrophobicContact CB-CG2 4.24Å; T361-T367 PolarHBondContact OG1-OG1 2.89Å; S363-T367 PolarHBondContact O-N 2.69Å; S363-T367 PolarHBondContact O-OG1 2.88Å; M364-T367 WeakPolarHBondContact O-CB 3.28Å; M364-T367 PolarHBondContact O-N 3.01Å; L365-T367 VanDerWaalsContact C-N 3.29Å; L365-T367 PolarHBondContact O-N 3.24Å; T367-E369 VanDerWaalsContact C-N 3.34Å; T367-E369 PolarHBondContact O-N 3.43Å; T367-V370 PolarHBondContact O-N 2.97Å; T367-L371 HydrophobicContact CG2-CD1 3.9Å; T367-L371 WeakPolarHBondContact O-CG 3.49Å; T367-L371 PolarHBondContact O-N 3.4Å
368	E	97.8	Very high	97.2	Very high	63 Å²	63	67.6 Å²	67.6	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-39.6	176.7	-69	-57.7	146.1	0	0	112	R354 M364 L365 V370 L371 N372	R354-E368 IonicContact CZ-OE1 3.08Å; R354-E368 IonicContact NH1-OE1 3.63Å; R354-E368 PolarHBondContact NH1-OE1 2.71Å; R354-E368 IonicContact NH2-OE1 3.96Å; R354-E368 PolarHBondContact NH2-OE1 2.83Å; M364-E368 PolarHBondContact O-N 2.95Å; M364-E368 VanDerWaalsContact O-N 3.1Å; L365-E368 PolarHBondContact O-N 3.32Å; E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 PolarHBondContact O-N 3.49Å; E368-L371 PolarHBondContact O-N 2.96Å; E368-N372 VanDerWaalsContact O-CB 3.25Å; E368-N372 WeakPolarHBondContact O-CB 3.21Å; E368-N372 VanDerWaalsContact O-CG 3.31Å; E368-N372 PolarHBondContact O-N 3.07Å; E368-N372 PolarHBondContact O-ND2 3.36Å; E368-N372 PolarHBondContact OE2-ND2 3.21Å
369	E	96.9	Very high	97.1	Very high	118 Å²	118	68.8 Å²	68.8	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-61.6	-36.8	174.3	-71.6	174.6	-173.9	0	0	112.9	L365 K366 T367 N373 R418	L365-E369 WeakPolarHBondContact O-CG 3.43Å; L365-E369 PolarHBondContact O-N 3.47Å; L365-E369 VanDerWaalsContact O-N 3.07Å; K366-E369 PolarHBondContact O-N 3.24Å; T367-E369 VanDerWaalsContact C-N 3.34Å; T367-E369 PolarHBondContact O-N 3.43Å; E369-N373 WeakPolarHBondContact O-CB 3.42Å; E369-N373 PolarHBondContact O-N 3.21Å; E369-R418 PolarHBondContact O-NH2 3.06Å
370	V	98.2	Very high	97.1	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-70.1	-44	175.8	169.9	0	0	0	0	110.7	V357 T361 K366 T367 E368 N414 L415	V357-V370 HydrophobicContact CG1-CB 3.69Å; V357-V370 HydrophobicContact CG1-CG1 3.58Å; V357-V370 HydrophobicContact CG1-CG2 4.24Å; V357-V370 HydrophobicContact CG2-CG1 4.02Å; T361-V370 HydrophobicContact CG2-CG2 4.15Å; K366-V370 VanDerWaalsContact O-CG2 3.27Å; K366-V370 WeakPolarHBondContact O-CG2 3.33Å; K366-V370 PolarHBondContact O-N 3.02Å; T367-V370 PolarHBondContact O-N 2.97Å; E368-V370 VanDerWaalsContact C-N 3.3Å; E368-V370 PolarHBondContact O-N 3.49Å; V370-N414 HydrophobicContact CG1-CB 3.88Å; V370-N414 PolarHBondContact O-ND2 2.88Å; V370-L415 HydrophobicContact CG1-CD2 3.93Å; V370-L415 HydrophobicContact CG1-CG 3.98Å; V370-L415 HydrophobicContact CG2-CD2 3.99Å
371	L	97.9	Very high	97.1	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.11	37%	0.365	C	S	.	.	H	α-helix	trans	-76.3	-30.5	-175.8	-66.1	174.2	0	0	0	113.1	R354 V357 T367 E368 R374 Y410 A411	R354-L371 HydrophobicContact CB-CD1 4.11Å; R354-L371 HydrophobicContact CG-CD1 3.9Å; V357-L371 HydrophobicContact CG2-CD2 4Å; T367-L371 HydrophobicContact CG2-CD1 3.9Å; T367-L371 WeakPolarHBondContact O-CG 3.49Å; T367-L371 PolarHBondContact O-N 3.4Å; E368-L371 PolarHBondContact O-N 2.96Å; L371-R374 PolarHBondContact O-NH1 3.28Å; L371-Y410 VanDerWaalsContact O-CE2 3.28Å; L371-Y410 WeakPolarHBondContact O-CE2 3.46Å; L371-Y410 PolarHBondContact O-OH 3.49Å; L371-A411 HydrophobicContact CD2-CB 3.97Å
372	N	96.6	Very high	97.1	Very high	120 Å²	120	65.6 Å²	65.6	64%	0.642	37%	0.366	S	S	*	.	H	α-helix	trans	-87.3	-7.5	-178.4	-66.5	-47.5	0	0	0	114	E368	E368-N372 VanDerWaalsContact O-CB 3.25Å; E368-N372 WeakPolarHBondContact O-CB 3.21Å; E368-N372 VanDerWaalsContact O-CG 3.31Å; E368-N372 PolarHBondContact O-N 3.07Å; E368-N372 PolarHBondContact O-ND2 3.36Å; E368-N372 PolarHBondContact OE2-ND2 3.21Å
373	N	95.6	Very high	97.1	Very high	62 Å²	62	62.3 Å²	62.3	33%	0.332	33%	0.332	S	S	.	.			trans	-95.9	166.5	178.6	-162.5	32.6	0	0	0	112.7	E369 S375 N414 R418	E369-N373 WeakPolarHBondContact O-CB 3.42Å; E369-N373 PolarHBondContact O-N 3.21Å; N373-S375 PolarHBondContact ND2-OG 2.91Å; N373-N414 PolarHBondContact O-ND2 2.92Å; N373-R418 VanDerWaalsContact CB-NH2 3.29Å; N373-R418 PolarHBondContact ND2-NH2 3.34Å
374	R	96.1	Very high	97.2	Very high	99 Å²	99	63.6 Å²	63.6	37%	0.374	33%	0.333	S	S	.	.			trans	-135	108.9	162.2	-61.4	-70.7	-177.8	-79.4	3.8	108.9	H214 L371 Y410	H214-R374 WeakPolarHBondContact CD2-CB 3.38Å; H214-R374 VanDerWaalsContact NE2-CB 3.27Å; H214-R374 WeakPolarHBondContact NE2-CB 3.21Å; L371-R374 PolarHBondContact O-NH1 3.28Å; R374-Y410 VanDerWaalsContact CZ-CD2 3.43Å; R374-Y410 VanDerWaalsContact CZ-CZ 3.46Å; R374-Y410 VanDerWaalsContact NH1-CD2 3.26Å; R374-Y410 VanDerWaalsContact NH1-CZ 3.31Å
375	S	97	Very high	97.4	Very high	31 Å²	31	58.6 Å²	58.6	22%	0.217	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-94.9	144.8	-177.8	-69.5	0	0	0	0	111	N373 V413 N414 R418	N373-S375 PolarHBondContact ND2-OG 2.91Å; S375-V413 WeakPolarHBondContact O-CG1 3.26Å; S375-N414 VanDerWaalsContact CB-OD1 3.25Å; S375-N414 WeakPolarHBondContact CB-OD1 3.47Å; S375-N414 PolarHBondContact N-OD1 3.34Å; S375-N414 PolarHBondContact OG-OD1 3.37Å; S375-R418 PolarHBondContact OG-NH1 3.04Å
376	D	95.6	Very high	97.4	Very high	87 Å²	87	52.1 Å²	52.1	47%	0.465	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-67.1	131.9	171.9	-75.2	-4.4	0	0	0	110.8	K197 S378 E417	K197-D376 WeakPolarHBondContact CE-OD2 3.07Å; K197-D376 IonicContact NZ-OD1 3.99Å; K197-D376 PolarHBondContact NZ-OD1 3.2Å; K197-D376 IonicContact NZ-OD2 3.78Å; K197-D376 PolarHBondContact NZ-OD2 3.3Å; D376-S378 PolarHBondContact O-N 3.41Å; D376-E417 WeakPolarHBondContact O-CG 3.43Å
377	L	97.2	Very high	97.5	Very high	26 Å²	26	47.3 Å²	47.3	14%	0.136	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-71.7	116.9	179.8	-179.3	63	0	0	0	111.6	V164 K198 Y383 V413	V164-L377 HydrophobicContact CG1-CD2 4.06Å; K198-L377 PolarHBondContact NZ-O 2.94Å; L377-Y383 HydrophobicContact CD1-CD1 3.68Å; L377-Y383 HydrophobicContact CD1-CE1 4.48Å; L377-Y383 HydrophobicContact CD1-CG 3.79Å; L377-Y383 HydrophobicContact CD2-CD1 3.68Å; L377-Y383 HydrophobicContact CD2-CE1 3.96Å; L377-Y383 HydrophobicContact CG-CD1 4.36Å; L377-V413 HydrophobicContact CB-CG1 4.17Å; L377-V413 HydrophobicContact CD1-CG1 4.08Å; L377-V413 HydrophobicContact CD1-CG2 4.35Å
378	S	96.7	Very high	97.4	Very high	57 Å²	57	49.2 Å²	49.2	40%	0.399	27%	0.269	S	S	.	.			trans	-130	-30.3	174.3	84.9	0	0	0	0	112.9	D376 H380 E417	D376-S378 PolarHBondContact O-N 3.41Å; S378-H380 VanDerWaalsContact C-N 3.28Å; S378-H380 PolarHBondContact O-CD2 2.72Å; S378-H380 VanDerWaalsContact O-CD2 3.26Å; S378-H380 PolarHBondContact O-N 3.08Å; S378-H380 VanDerWaalsContact O-N 3.12Å; S378-E417 WeakPolarHBondContact CA-OE1 3.49Å; S378-E417 PolarHBondContact N-OE1 2.84Å; S378-E417 PolarHBondContact OG-OE1 3.01Å; S378-E417 PolarHBondContact OG-OE2 3.33Å
379	Q	97.8	Very high	97.4	Very high	98 Å²	98	47.3 Å²	47.3	46%	0.458	26%	0.26	S	S	.	.			trans	-88.7	58.9	-179.7	-62.6	-58.2	-42.6	0	0	111.5	G381 C382 Y383 C416 E417	Q379-G381 VanDerWaalsContact C-N 3.35Å; Q379-G381 PolarHBondContact O-N 2.9Å; Q379-C382 HydrophobicContact CB-CB 4.21Å; Q379-C382 PolarHBondContact O-N 3.49Å; Q379-Y383 PolarHBondContact O-N 3.47Å; Q379-C416 HydrophobicContact CB-CB 3.91Å; Q379-E417 WeakPolarHBondContact CB-OE1 3.46Å; Q379-E417 PolarHBondContact N-OE1 2.88Å
380	H	97.1	Very high	97.5	Very high	28 Å²	28	41.7 Å²	41.7	13%	0.13	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-38.7	-171.2	-60	-82.5	0	0	0	113.8	E165 K198 S378 C382 Y383 K384	E165-H380 HydrophobicContact CG-CB 3.65Å; E165-H380 VanDerWaalsContact CG-CG 3.42Å; E165-H380 WeakPolarHBondContact OE1-CB 3.47Å; E165-H380 IonicContact OE1-CD2 3.52Å; E165-H380 PolarHBondContact OE1-CD2 3.05Å; E165-H380 IonicContact OE1-CG 3.35Å; E165-H380 WeakPolarHBondContact OE2-CB 3.37Å; E165-H380 IonicContact OE2-CG 2.86Å; K198-H380 PolarHBondContact NZ-NE2 3.24Å; K198-H380 VanDerWaalsContact NZ-NE2 3.17Å; S378-H380 VanDerWaalsContact C-N 3.28Å; S378-H380 PolarHBondContact O-CD2 2.72Å; S378-H380 VanDerWaalsContact O-CD2 3.26Å; S378-H380 PolarHBondContact O-N 3.08Å; S378-H380 VanDerWaalsContact O-N 3.12Å; H380-C382 PolarHBondContact O-N 2.92Å; H380-Y383 PolarHBondContact O-N 3.25Å; H380-K384 VanDerWaalsContact O-CB 3.27Å; H380-K384 WeakPolarHBondContact O-CB 3.39Å; H380-K384 PolarHBondContact O-N 3.47Å
381	G	97.8	Very high	97.4	Very high	57 Å²	57	42.7 Å²	42.7	59%	0.588	24%	0.238	S	C	*	.	H	α-helix	trans	-62.7	-42.3	176.4	0	0	0	0	0	113.3	Q379 A385	Q379-G381 VanDerWaalsContact C-N 3.35Å; Q379-G381 PolarHBondContact O-N 2.9Å; G381-A385 WeakPolarHBondContact O-CB 3.42Å; G381-A385 PolarHBondContact O-N 3.26Å
382	C	98.6	Very high	97.3	Very high	19 Å²	19	50.4 Å²	50.4	13%	0.128	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-48.5	174.1	174.2	0	0	0	0	110.9	Q379 H380 A385 A386 C416 A422	Q379-C382 HydrophobicContact CB-CB 4.21Å; Q379-C382 PolarHBondContact O-N 3.49Å; H380-C382 PolarHBondContact O-N 2.92Å; C382-A385 PolarHBondContact O-N 2.82Å; C382-A386 WeakPolarHBondContact O-CB 3.19Å; C382-A386 PolarHBondContact O-N 3.03Å; C382-C416 HydrophobicContact CB-CB 3.71Å; C382-C416 WeakPolarHBondContact CB-SG 3.39Å; C382-C416 VanDerWaalsContact SG-CA 3.56Å; C382-C416 WeakPolarHBondContact SG-CB 3.25Å; C382-C416 CovalentContact SG-SG 2.05Å; C382-C416 PolarHBondContact SG-SG 2.92Å; C382-A422 HydrophobicContact CB-CB 4.43Å
383	Y	98.6	Very high	97.2	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-45.1	-176.6	179.8	-122.1	0	0	0	112.3	P152 I154 L377 Q379 H380 A385 A386 V387 L412 V413 C416	P152-Y383 WeakPolarHBondContact O-CE1 3.26Å; P152-Y383 VanDerWaalsContact O-CZ 3.3Å; P152-Y383 PolarHBondContact O-OH 3.46Å; I154-Y383 HydrophobicContact CD1-CE1 4.05Å; I154-Y383 HydrophobicContact CG1-CE1 4.29Å; L377-Y383 HydrophobicContact CD1-CD1 3.68Å; L377-Y383 HydrophobicContact CD1-CE1 4.48Å; L377-Y383 HydrophobicContact CD1-CG 3.79Å; L377-Y383 HydrophobicContact CD2-CD1 3.68Å; L377-Y383 HydrophobicContact CD2-CE1 3.96Å; L377-Y383 HydrophobicContact CG-CD1 4.36Å; Q379-Y383 PolarHBondContact O-N 3.47Å; H380-Y383 PolarHBondContact O-N 3.25Å; Y383-A385 VanDerWaalsContact C-N 3.31Å; Y383-A385 PolarHBondContact O-N 3.26Å; Y383-A386 PolarHBondContact O-N 2.86Å; Y383-V387 HydrophobicContact CD1-CG2 4.32Å; Y383-V387 HydrophobicContact CD2-CG2 3.62Å; Y383-V387 HydrophobicContact CE1-CG2 4Å; Y383-V387 HydrophobicContact CE2-CG2 3.22Å; Y383-V387 HydrophobicContact CG-CG2 4.16Å; Y383-V387 VanDerWaalsContact CZ-CG2 3.46Å; Y383-V387 WeakPolarHBondContact O-CB 3.29Å; Y383-V387 VanDerWaalsContact O-CG2 3.27Å; Y383-V387 WeakPolarHBondContact O-CG2 3.45Å; Y383-V387 PolarHBondContact O-N 3.41Å; Y383-L412 HydrophobicContact CD2-CB 4.07Å; Y383-L412 HydrophobicContact CE2-CB 4.04Å; Y383-V413 HydrophobicContact CD1-CG2 4.38Å; Y383-V413 HydrophobicContact CD2-CB 4.45Å; Y383-V413 HydrophobicContact CD2-CG2 3.63Å; Y383-V413 HydrophobicContact CE1-CG2 4.1Å; Y383-V413 HydrophobicContact CE2-CB 4.42Å; Y383-V413 HydrophobicContact CE2-CG2 3.3Å; Y383-V413 HydrophobicContact CG-CG2 4.16Å; Y383-C416 PolarHBondContact N-SG 2.91Å; Y383-C416 VanDerWaalsContact N-SG 3.39Å
384	K	98.3	Very high	97.2	Very high	66 Å²	66	43 Å²	43	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-59.9	-40.5	176.3	-173.7	164.8	-176.1	170.2	0	111.6	D166 H380 N388	D166-K384 IonicContact OD1-NZ 3.31Å; D166-K384 PolarHBondContact OD1-NZ 2.93Å; D166-K384 IonicContact OD2-NZ 2.95Å; D166-K384 PolarHBondContact OD2-NZ 3.13Å; H380-K384 VanDerWaalsContact O-CB 3.27Å; H380-K384 WeakPolarHBondContact O-CB 3.39Å; H380-K384 PolarHBondContact O-N 3.47Å; K384-N388 VanDerWaalsContact O-CB 3.29Å; K384-N388 WeakPolarHBondContact O-CB 3.35Å; K384-N388 VanDerWaalsContact O-CG 3.27Å; K384-N388 PolarHBondContact O-N 3.34Å; K384-N388 VanDerWaalsContact O-N 3.11Å; K384-N388 PolarHBondContact O-ND2 3.15Å
385	A	98.3	Very high	97.2	Very high	38 Å²	38	38.5 Å²	38.5	31%	0.314	21%	0.212	S	C	.	.	H	α-helix	trans	-64.2	-47	174.1	0	0	0	0	0	112	G381 C382 Y383 H389 A422	G381-A385 WeakPolarHBondContact O-CB 3.42Å; G381-A385 PolarHBondContact O-N 3.26Å; C382-A385 PolarHBondContact O-N 2.82Å; Y383-A385 VanDerWaalsContact C-N 3.31Å; Y383-A385 PolarHBondContact O-N 3.26Å; A385-H389 WeakPolarHBondContact O-CB 3.35Å; A385-H389 PolarHBondContact O-N 3.44Å; A385-A422 HydrophobicContact CB-CB 4.32Å
386	A	98.5	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-46.1	-179.7	0	0	0	0	0	112.7	C382 Y383 H389 Y390 L412 I425 M429	C382-A386 WeakPolarHBondContact O-CB 3.19Å; C382-A386 PolarHBondContact O-N 3.03Å; Y383-A386 PolarHBondContact O-N 2.86Å; A386-H389 PolarHBondContact O-N 3.08Å; A386-Y390 VanDerWaalsContact O-CB 3.29Å; A386-Y390 WeakPolarHBondContact O-CB 3.31Å; A386-Y390 PolarHBondContact O-N 2.9Å; A386-L412 HydrophobicContact CB-CB 4.38Å; A386-L412 HydrophobicContact CB-CD1 4.28Å; A386-I425 HydrophobicContact CB-CG2 3.99Å; A386-M429 HydrophobicContact CB-CE 4.31Å
387	V	98.1	Very high	97.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-48.5	178.3	168.6	0	0	0	0	110.9	I154 Y383 H389 Y390 K391 W397 L409 L412	I154-V387 HydrophobicContact CD1-CG1 3.7Å; I154-V387 HydrophobicContact CD1-CG2 4.15Å; Y383-V387 HydrophobicContact CD1-CG2 4.32Å; Y383-V387 HydrophobicContact CD2-CG2 3.62Å; Y383-V387 HydrophobicContact CE1-CG2 4Å; Y383-V387 HydrophobicContact CE2-CG2 3.22Å; Y383-V387 HydrophobicContact CG-CG2 4.16Å; Y383-V387 VanDerWaalsContact CZ-CG2 3.46Å; Y383-V387 WeakPolarHBondContact O-CB 3.29Å; Y383-V387 VanDerWaalsContact O-CG2 3.27Å; Y383-V387 WeakPolarHBondContact O-CG2 3.45Å; Y383-V387 PolarHBondContact O-N 3.41Å; V387-H389 VanDerWaalsContact C-N 3.29Å; V387-H389 PolarHBondContact O-N 2.76Å; V387-Y390 PolarHBondContact O-N 3.04Å; V387-K391 WeakPolarHBondContact O-CB 3.45Å; V387-K391 PolarHBondContact O-N 2.92Å; V387-W397 HydrophobicContact CG1-CH2 3.49Å; V387-W397 VanDerWaalsContact CG1-CH2 3.49Å; V387-W397 HydrophobicContact CG1-CZ2 3.87Å; V387-L409 HydrophobicContact CG1-CD1 4.42Å; V387-L412 HydrophobicContact CG2-CD1 4.26Å
388	N	97.4	Very high	97.3	Very high	42 Å²	42	35.9 Å²	35.9	23%	0.225	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-37.6	179.1	-77.9	-32.5	0	0	0	112.4	K384 R392	K384-N388 VanDerWaalsContact O-CB 3.29Å; K384-N388 WeakPolarHBondContact O-CB 3.35Å; K384-N388 VanDerWaalsContact O-CG 3.27Å; K384-N388 PolarHBondContact O-N 3.34Å; K384-N388 VanDerWaalsContact O-N 3.11Å; K384-N388 PolarHBondContact O-ND2 3.15Å; N388-R392 WeakPolarHBondContact O-CG 3.5Å; N388-R392 PolarHBondContact O-N 3.33Å; N388-R392 PolarHBondContact O-NE 3.13Å
389	H	97.8	Very high	97.2	Very high	22 Å²	22	38 Å²	38	10%	0.102	20%	0.196	C	C	.	.	H	α-helix	trans	-70.6	-43.5	175.7	-162	79.5	0	0	0	112	A385 A386 V387 K391 R392 S393 L426 M429 D430	A385-H389 WeakPolarHBondContact O-CB 3.35Å; A385-H389 PolarHBondContact O-N 3.44Å; A386-H389 PolarHBondContact O-N 3.08Å; V387-H389 VanDerWaalsContact C-N 3.29Å; V387-H389 PolarHBondContact O-N 2.76Å; H389-K391 VanDerWaalsContact C-N 3.33Å; H389-K391 PolarHBondContact O-N 2.69Å; H389-R392 PolarHBondContact O-N 3.44Å; H389-S393 PolarHBondContact CE1-OG 3.27Å; H389-S393 PolarHBondContact NE2-OG 2.92Å; H389-S393 WeakPolarHBondContact O-CB 3.47Å; H389-S393 PolarHBondContact O-N 2.94Å; H389-S393 PolarHBondContact O-OG 3.05Å; H389-L426 HydrophobicContact CB-CD1 4.13Å; H389-L426 HydrophobicContact CB-CD2 4.03Å; H389-L426 HydrophobicContact CB-CG 3.66Å; H389-M429 HydrophobicContact CB-SD 4.23Å; H389-D430 IonicContact CD2-OD1 3.42Å; H389-D430 IonicContact CE1-OD1 3.7Å; H389-D430 PolarHBondContact CE1-OD1 2.91Å; H389-D430 IonicContact CE1-OD2 3.38Å; H389-D430 IonicContact NE2-OD1 2.7Å; H389-D430 PolarHBondContact NE2-OD1 3.3Å; H389-D430 IonicContact NE2-OD2 2.69Å
390	Y	97.9	Very high	96.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-43.3	176.1	-171.1	-104.8	0	0	0	112	M353 I356 A386 V387 R392 C394 F395 W397 A405 L409 L412 M429	M353-Y390 HydrophobicContact CE-CD1 4.5Å; M353-Y390 HydrophobicContact CE-CD2 4.17Å; M353-Y390 HydrophobicContact CE-CE1 4.01Å; M353-Y390 HydrophobicContact CE-CE2 3.63Å; I356-Y390 HydrophobicContact CD1-CD2 3.92Å; I356-Y390 HydrophobicContact CD1-CE2 3.54Å; A386-Y390 VanDerWaalsContact O-CB 3.29Å; A386-Y390 WeakPolarHBondContact O-CB 3.31Å; A386-Y390 PolarHBondContact O-N 2.9Å; V387-Y390 PolarHBondContact O-N 3.04Å; Y390-R392 VanDerWaalsContact C-N 3.32Å; Y390-R392 PolarHBondContact O-N 2.88Å; Y390-C394 HydrophobicContact CD2-CB 3.59Å; Y390-C394 WeakPolarHBondContact CD2-SG 3.31Å; Y390-C394 HydrophobicContact CE2-CB 3.61Å; Y390-C394 HydrophobicContact CG-CB 4.12Å; Y390-C394 CarbonylContact O-C 3.52Å; Y390-C394 VanDerWaalsContact O-CA 3.31Å; Y390-C394 WeakPolarHBondContact O-CA 3.47Å; Y390-C394 WeakPolarHBondContact O-CB 3.32Å; Y390-C394 PolarHBondContact O-N 3.29Å; Y390-F395 HydrophobicContact CE1-CD2 4.29Å; Y390-F395 HydrophobicContact CE2-CD2 4.34Å; Y390-F395 AromaticContact CZ-CD2 3.74Å; Y390-F395 PolarHBondContact O-N 2.8Å; Y390-F395 VanDerWaalsContact O-N 3.07Å; Y390-F395 WeakPolarHBondContact OH-CD2 3.47Å; Y390-W397 HydrophobicContact CD1-CZ3 4.04Å; Y390-A405 HydrophobicContact CE1-CB 4.29Å; Y390-L409 HydrophobicContact CD1-CD2 3.9Å; Y390-L409 HydrophobicContact CE1-CD2 4.22Å; Y390-L412 HydrophobicContact CG-CD1 4.28Å; Y390-M429 HydrophobicContact CD2-CE 3.93Å; Y390-M429 HydrophobicContact CD2-CG 4.37Å; Y390-M429 HydrophobicContact CD2-SD 4.26Å; Y390-M429 HydrophobicContact CG-CE 4.23Å
391	K	96.6	Very high	96.7	Very high	22 Å²	22	40.4 Å²	40.4	10%	0.096	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-43.9	175.6	-172.5	166	63	174.8	0	112.3	D160 D161 V387 H389 N396 W397	D160-K391 IonicContact OD1-NZ 3.05Å; D160-K391 PolarHBondContact OD1-NZ 2.85Å; D161-K391 WeakPolarHBondContact OD2-CD 3.37Å; D161-K391 IonicContact OD2-NZ 2.92Å; D161-K391 PolarHBondContact OD2-NZ 3.48Å; V387-K391 WeakPolarHBondContact O-CB 3.45Å; V387-K391 PolarHBondContact O-N 2.92Å; H389-K391 VanDerWaalsContact C-N 3.33Å; H389-K391 PolarHBondContact O-N 2.69Å; K391-N396 HydrophobicContact CG-CB 4.28Å; K391-N396 PolarHBondContact O-N 3.13Å; K391-W397 HydrophobicContact CB-CE3 4.49Å; K391-W397 HydrophobicContact CB-CH2 3.59Å; K391-W397 HydrophobicContact CB-CZ2 4.29Å; K391-W397 HydrophobicContact CB-CZ3 3.69Å; K391-W397 HydrophobicContact CD-CH2 4Å; K391-W397 HydrophobicContact CD-CZ2 3.79Å; K391-W397 HydrophobicContact CG-CE3 4.5Å; K391-W397 HydrophobicContact CG-CH2 4.04Å; K391-W397 HydrophobicContact CG-CZ2 4.3Å; K391-W397 HydrophobicContact CG-CZ3 4.13Å
392	R	94.9	Very high	96.6	Very high	183 Å²	183	39.2 Å²	39.2	69%	0.691	19%	0.194	S	C	*	.	H	α-helix	trans	-80.7	-42.4	-175.9	-69.5	-175.7	-55.6	-144.6	2.2	113.6	N388 H389 Y390	N388-R392 WeakPolarHBondContact O-CG 3.5Å; N388-R392 PolarHBondContact O-N 3.33Å; N388-R392 PolarHBondContact O-NE 3.13Å; H389-R392 PolarHBondContact O-N 3.44Å; Y390-R392 VanDerWaalsContact C-N 3.32Å; Y390-R392 PolarHBondContact O-N 2.88Å
393	S	94.6	Very high	96.6	Very high	21 Å²	21	39.3 Å²	39.3	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-98.7	-16.3	-169.5	-55.5	0	0	0	0	113.4	H389 C433	H389-S393 PolarHBondContact CE1-OG 3.27Å; H389-S393 PolarHBondContact NE2-OG 2.92Å; H389-S393 WeakPolarHBondContact O-CB 3.47Å; H389-S393 PolarHBondContact O-N 2.94Å; H389-S393 PolarHBondContact O-OG 3.05Å; S393-C433 VanDerWaalsContact O-CB 3.26Å; S393-C433 WeakPolarHBondContact O-CB 3.4Å
394	C	96.4	Very high	96.5	Very high	6 Å²	6	42.5 Å²	42.5	4%	0.041	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-87.6	-176.4	-45.7	0	0	0	0	110.6	Y390 C433 F435	Y390-C394 HydrophobicContact CD2-CB 3.59Å; Y390-C394 WeakPolarHBondContact CD2-SG 3.31Å; Y390-C394 HydrophobicContact CE2-CB 3.61Å; Y390-C394 HydrophobicContact CG-CB 4.12Å; Y390-C394 CarbonylContact O-C 3.52Å; Y390-C394 VanDerWaalsContact O-CA 3.31Å; Y390-C394 WeakPolarHBondContact O-CA 3.47Å; Y390-C394 WeakPolarHBondContact O-CB 3.32Å; Y390-C394 PolarHBondContact O-N 3.29Å; C394-C433 HydrophobicContact CB-CB 3.74Å; C394-C433 WeakPolarHBondContact CB-SG 3.43Å; C394-C433 WeakPolarHBondContact SG-CB 3.39Å; C394-C433 CovalentContact SG-SG 2.02Å; C394-C433 PolarHBondContact SG-SG 3.35Å; C394-F435 WeakPolarHBondContact O-CD2 3.32Å; C394-F435 VanDerWaalsContact O-CE2 3.31Å; C394-F435 WeakPolarHBondContact O-CE2 3.46Å
395	F	97.2	Very high	96.5	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.022	19%	0.191	C	C	.	.			trans	-133.7	117.4	-172.2	-56.2	-77.4	0	0	0	110.2	T348 L349 T352 Y390 W397 F402 A405 P434 F435	T348-F395 HydrophobicContact CG2-CZ 4.26Å; L349-F395 HydrophobicContact CD2-CB 3.78Å; L349-F395 HydrophobicContact CD2-CD1 3.52Å; L349-F395 HydrophobicContact CD2-CD2 3.37Å; L349-F395 HydrophobicContact CD2-CE1 3.85Å; L349-F395 HydrophobicContact CD2-CE2 3.68Å; L349-F395 HydrophobicContact CD2-CG 3.25Å; L349-F395 HydrophobicContact CD2-CZ 3.92Å; T352-F395 HydrophobicContact CG2-CE2 3.62Å; T352-F395 HydrophobicContact CG2-CZ 4.19Å; Y390-F395 HydrophobicContact CE1-CD2 4.29Å; Y390-F395 HydrophobicContact CE2-CD2 4.34Å; Y390-F395 AromaticContact CZ-CD2 3.74Å; Y390-F395 PolarHBondContact O-N 2.8Å; Y390-F395 VanDerWaalsContact O-N 3.07Å; Y390-F395 WeakPolarHBondContact OH-CD2 3.47Å; F395-W397 PolarHBondContact O-N 2.99Å; F395-F402 HydrophobicContact CB-CB 4.17Å; F395-F402 HydrophobicContact CB-CG 4.22Å; F395-F402 AromaticContact CD1-CD1 3.68Å; F395-F402 HydrophobicContact CD1-CD1 3.68Å; F395-F402 AromaticContact CD1-CE1 3.79Å; F395-F402 HydrophobicContact CD1-CE1 3.79Å; F395-F402 HydrophobicContact CD1-CG 4.13Å; F395-F402 HydrophobicContact CD1-CZ 4.32Å; F395-F402 HydrophobicContact CE1-CD1 4.42Å; F395-F402 HydrophobicContact CE1-CE1 4.21Å; F395-F402 HydrophobicContact CG-CD1 4.48Å; F395-A405 HydrophobicContact CB-CB 4.02Å; F395-P434 HydrophobicContact CZ-CG 4.46Å; F395-F435 HydrophobicContact CD1-CE2 4.34Å; F395-F435 HydrophobicContact CE1-CE2 4.23Å
396	N	97	Very high	96.5	Very high	55 Å²	55	37.8 Å²	37.8	29%	0.294	18%	0.178	S	C	.	.			trans	-87.4	103.3	174.4	-175	-2	0	0	0	109.5	K391 H398 K399 F402	K391-N396 HydrophobicContact CG-CB 4.28Å; K391-N396 PolarHBondContact O-N 3.13Å; N396-H398 PolarHBondContact O-N 3.36Å; N396-H398 WeakPolarHBondContact OD1-CB 3.5Å; N396-H398 PolarHBondContact OD1-CD2 2.69Å; N396-H398 PolarHBondContact OD1-N 3.39Å; N396-H398 VanDerWaalsContact OD1-N 3.15Å; N396-K399 WeakPolarHBondContact O-CB 3.44Å; N396-K399 PolarHBondContact O-N 3.46Å; N396-F402 WeakPolarHBondContact O-CB 3.46Å
397	W	97.6	Very high	96.5	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.023	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-11.5	-178.3	51.6	83.7	0	0	0	114.6	D161 V387 Y390 K391 F395 K399 E403 A405 L406 L409	D161-W397 PolarHBondContact OD1-NE1 3.46Å; D161-W397 VanDerWaalsContact OD2-CZ2 3.25Å; D161-W397 WeakPolarHBondContact OD2-CZ2 3.48Å; D161-W397 PolarHBondContact OD2-NE1 2.8Å; V387-W397 HydrophobicContact CG1-CH2 3.49Å; V387-W397 VanDerWaalsContact CG1-CH2 3.49Å; V387-W397 HydrophobicContact CG1-CZ2 3.87Å; Y390-W397 HydrophobicContact CD1-CZ3 4.04Å; K391-W397 HydrophobicContact CB-CE3 4.49Å; K391-W397 HydrophobicContact CB-CH2 3.59Å; K391-W397 HydrophobicContact CB-CZ2 4.29Å; K391-W397 HydrophobicContact CB-CZ3 3.69Å; K391-W397 HydrophobicContact CD-CH2 4Å; K391-W397 HydrophobicContact CD-CZ2 3.79Å; K391-W397 HydrophobicContact CG-CE3 4.5Å; K391-W397 HydrophobicContact CG-CH2 4.04Å; K391-W397 HydrophobicContact CG-CZ2 4.3Å; K391-W397 HydrophobicContact CG-CZ3 4.13Å; F395-W397 PolarHBondContact O-N 2.99Å; W397-K399 PolarHBondContact O-N 3.03Å; W397-E403 WeakPolarHBondContact O-CA 3.12Å; W397-A405 HydrophobicContact CB-CB 4.37Å; W397-A405 HydrophobicContact CE3-CB 4.4Å; W397-L406 HydrophobicContact CB-CD1 4.46Å; W397-L406 HydrophobicContact CB-CG 3.94Å; W397-L406 HydrophobicContact CD2-CD2 3.91Å; W397-L406 HydrophobicContact CD2-CG 4.25Å; W397-L406 HydrophobicContact CG-CD1 4.35Å; W397-L406 HydrophobicContact CG-CD2 3.77Å; W397-L406 HydrophobicContact CG-CG 3.72Å; W397-L409 HydrophobicContact CH2-CD1 4.04Å; W397-L409 HydrophobicContact CH2-CD2 4.37Å; W397-L409 HydrophobicContact CZ2-CD1 4.19Å; W397-L409 HydrophobicContact CZ3-CD1 4.29Å; W397-L409 HydrophobicContact CZ3-CD2 4.08Å
398	H	96	Very high	96.5	Very high	28 Å²	28	40.5 Å²	40.5	13%	0.13	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-11.3	169.6	-58.1	-50.6	0	0	0	112.3	F157 N159 D160 D161 N396	F157-H398 PolarHBondContact O-CE1 3.33Å; F157-H398 PolarHBondContact O-ND1 3.23Å; F157-H398 VanDerWaalsContact O-ND1 3.13Å; N159-H398 VanDerWaalsContact C-CD2 3.5Å; N159-H398 PolarHBondContact O-CD2 2.91Å; D160-H398 WeakPolarHBondContact CA-NE2 3.34Å; D160-H398 PolarHBondContact N-NE2 3.44Å; D160-H398 PolarHBondContact O-CE1 2.74Å; D160-H398 PolarHBondContact O-NE2 2.94Å; D161-H398 IonicContact OD1-CE1 3.47Å; D161-H398 PolarHBondContact OD1-CE1 3.11Å; D161-H398 IonicContact OD1-NE2 3.03Å; D161-H398 IonicContact OD2-CE1 3.09Å; D161-H398 IonicContact OD2-NE2 3.61Å; D161-H398 PolarHBondContact OD2-NE2 3.35Å; N396-H398 PolarHBondContact O-N 3.36Å; N396-H398 WeakPolarHBondContact OD1-CB 3.5Å; N396-H398 PolarHBondContact OD1-CD2 2.69Å; N396-H398 PolarHBondContact OD1-N 3.39Å; N396-H398 VanDerWaalsContact OD1-N 3.15Å
399	K	95	Very high	96.5	Very high	102 Å²	102	38.5 Å²	38.5	44%	0.443	18%	0.178	S	C	.	.	S	Bend	trans	-88.6	130.2	165.8	-55.8	-168.5	-179.5	-178.7	0	110	N396 W397 E401 F402 E403	N396-K399 WeakPolarHBondContact O-CB 3.44Å; N396-K399 PolarHBondContact O-N 3.46Å; W397-K399 PolarHBondContact O-N 3.03Å; K399-E401 HydrophobicContact CB-CG 4.4Å; K399-E401 WeakPolarHBondContact CB-OE2 3.44Å; K399-E401 WeakPolarHBondContact CD-OE1 3.48Å; K399-E401 PolarHBondContact O-N 3.17Å; K399-F402 HydrophobicContact CB-CD2 4.17Å; K399-F402 HydrophobicContact CD-CD2 4.23Å; K399-F402 HydrophobicContact CD-CE2 4.3Å; K399-F402 PolarHBondContact O-N 3.34Å; K399-E403 PolarHBondContact O-N 2.74Å
400	P	91.6	Very high	96.6	Very high	91 Å²	91	39.1 Å²	39.1	59%	0.591	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-53.3	-33.7	-176.9	-29.1	35.4	0	0	0	114.4	F402	P400-F402 PolarHBondContact O-N 2.9Å
401	E	92.9	Very high	96.6	Very high	85 Å²	85	39.1 Å²	39.1	40%	0.397	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-65.2	-25.6	178.6	67.4	-90.7	-157.5	0	0	113.7	V345 K399	V345-E401 VanDerWaalsContact CG1-O 3.26Å; V345-E401 WeakPolarHBondContact CG1-O 3.24Å; K399-E401 HydrophobicContact CB-CG 4.4Å; K399-E401 WeakPolarHBondContact CB-OE2 3.44Å; K399-E401 WeakPolarHBondContact CD-OE1 3.48Å; K399-E401 PolarHBondContact O-N 3.17Å
402	F	96.5	Very high	96.7	Very high	31 Å²	31	38.1 Å²	38.1	14%	0.136	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-114	6.8	-173.7	-58.4	-46.4	0	0	0	113.9	V345 L349 F395 N396 K399 P400 Y404 A405	V345-F402 HydrophobicContact CG1-CD1 3.9Å; V345-F402 HydrophobicContact CG1-CE1 4.16Å; L349-F402 HydrophobicContact CD2-CD1 4.5Å; F395-F402 HydrophobicContact CB-CB 4.17Å; F395-F402 HydrophobicContact CB-CG 4.22Å; F395-F402 AromaticContact CD1-CD1 3.68Å; F395-F402 HydrophobicContact CD1-CD1 3.68Å; F395-F402 AromaticContact CD1-CE1 3.79Å; F395-F402 HydrophobicContact CD1-CE1 3.79Å; F395-F402 HydrophobicContact CD1-CG 4.13Å; F395-F402 HydrophobicContact CD1-CZ 4.32Å; F395-F402 HydrophobicContact CE1-CD1 4.42Å; F395-F402 HydrophobicContact CE1-CE1 4.21Å; F395-F402 HydrophobicContact CG-CD1 4.48Å; N396-F402 WeakPolarHBondContact O-CB 3.46Å; K399-F402 HydrophobicContact CB-CD2 4.17Å; K399-F402 HydrophobicContact CD-CD2 4.23Å; K399-F402 HydrophobicContact CD-CE2 4.3Å; K399-F402 PolarHBondContact O-N 3.34Å; P400-F402 PolarHBondContact O-N 2.9Å; F402-Y404 PolarHBondContact O-N 3.18Å; F402-Y404 VanDerWaalsContact O-N 3.08Å; F402-A405 WeakPolarHBondContact O-CB 3.48Å; F402-A405 PolarHBondContact O-N 2.67Å
403	E	96.6	Very high	96.9	Very high	22 Å²	22	29.4 Å²	29.4	10%	0.103	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-50	-38.5	-179.4	-168.6	-174.5	85	0	0	112.3	N44 H149 W397 K399 A405 L406	N44-E403 PolarHBondContact ND2-OE2 3.43Å; H149-E403 IonicContact CD2-OE2 3.37Å; H149-E403 IonicContact CE1-OE1 2.67Å; H149-E403 PolarHBondContact CE1-OE1 3.29Å; H149-E403 IonicContact CE1-OE2 3.79Å; H149-E403 IonicContact NE2-OE1 3.09Å; H149-E403 PolarHBondContact NE2-OE1 3.1Å; H149-E403 IonicContact NE2-OE2 2.74Å; H149-E403 PolarHBondContact NE2-OE2 2.9Å; W397-E403 WeakPolarHBondContact O-CA 3.12Å; K399-E403 PolarHBondContact O-N 2.74Å; E403-A405 PolarHBondContact O-N 2.74Å; E403-L406 WeakPolarHBondContact O-CB 3.47Å; E403-L406 PolarHBondContact O-N 3.19Å
404	Y	97.6	Very high	97.1	Very high	67 Å²	67	28.5 Å²	28.5	26%	0.263	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-62.5	-13.6	178.7	-158.5	-96.1	0	0	0	114.2	P312 K346 L349 F402 L406 R407 H408	P312-Y404 HydrophobicContact CB-CD2 3.79Å; P312-Y404 HydrophobicContact CB-CE2 3.59Å; P312-Y404 WeakPolarHBondContact O-CD2 3.2Å; K346-Y404 HydrophobicContact CB-CD1 4.33Å; K346-Y404 HydrophobicContact CD-CD1 4.39Å; K346-Y404 HydrophobicContact CD-CD2 4.19Å; K346-Y404 HydrophobicContact CD-CE2 4.34Å; K346-Y404 HydrophobicContact CD-CG 4.22Å; K346-Y404 VanDerWaalsContact CE-CD2 3.47Å; K346-Y404 HydrophobicContact CG-CD1 3.9Å; K346-Y404 HydrophobicContact CG-CD2 4.4Å; K346-Y404 HydrophobicContact CG-CE1 4.36Å; K346-Y404 HydrophobicContact CG-CG 3.92Å; L349-Y404 HydrophobicContact CD1-CD1 4.43Å; F402-Y404 PolarHBondContact O-N 3.18Å; F402-Y404 VanDerWaalsContact O-N 3.08Å; Y404-L406 PolarHBondContact O-N 2.95Å; Y404-R407 HydrophobicContact CD1-CB 4.42Å; Y404-R407 HydrophobicContact CD1-CG 4.29Å; Y404-R407 HydrophobicContact CD2-CG 3.85Å; Y404-R407 HydrophobicContact CE1-CB 4.19Å; Y404-R407 HydrophobicContact CE1-CG 4.25Å; Y404-R407 HydrophobicContact CE2-CG 3.8Å; Y404-R407 HydrophobicContact CG-CG 4.1Å; Y404-R407 WeakPolarHBondContact O-CB 3.43Å; Y404-R407 WeakPolarHBondContact O-CG 3.39Å; Y404-R407 PolarHBondContact O-N 3.25Å; Y404-H408 AromaticContact CD1-NE2 3.79Å; Y404-H408 AromaticContact CE1-NE2 3.75Å
405	A	98	Very high	97.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-60	-29.3	174.9	0	0	0	0	0	112.3	L349 Y390 F395 W397 F402 E403 R407 H408	L349-A405 HydrophobicContact CD1-CB 4.36Å; L349-A405 HydrophobicContact CD2-CB 3.9Å; Y390-A405 HydrophobicContact CE1-CB 4.29Å; F395-A405 HydrophobicContact CB-CB 4.02Å; W397-A405 HydrophobicContact CB-CB 4.37Å; W397-A405 HydrophobicContact CE3-CB 4.4Å; F402-A405 WeakPolarHBondContact O-CB 3.48Å; F402-A405 PolarHBondContact O-N 2.67Å; E403-A405 PolarHBondContact O-N 2.74Å; A405-R407 PolarHBondContact O-N 2.89Å; A405-R407 VanDerWaalsContact O-N 3.11Å; A405-H408 PolarHBondContact O-N 3.34Å
406	L	98.1	Very high	97.3	Very high	6 Å²	6	28.1 Å²	28.1	3%	0.031	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-51.6	-34.8	173.4	-74.9	170.1	0	0	0	112.1	H149 A151 W397 E403 Y404 H408 L409	H149-L406 HydrophobicContact CB-CD1 3.88Å; A151-L406 HydrophobicContact CB-CB 4.44Å; A151-L406 HydrophobicContact CB-CD2 3.99Å; W397-L406 HydrophobicContact CB-CD1 4.46Å; W397-L406 HydrophobicContact CB-CG 3.94Å; W397-L406 HydrophobicContact CD2-CD2 3.91Å; W397-L406 HydrophobicContact CD2-CG 4.25Å; W397-L406 HydrophobicContact CG-CD1 4.35Å; W397-L406 HydrophobicContact CG-CD2 3.77Å; W397-L406 HydrophobicContact CG-CG 3.72Å; E403-L406 WeakPolarHBondContact O-CB 3.47Å; E403-L406 PolarHBondContact O-N 3.19Å; Y404-L406 PolarHBondContact O-N 2.95Å; L406-H408 PolarHBondContact O-N 3.29Å; L406-L409 HydrophobicContact CD2-CD1 3.88Å; L406-L409 PolarHBondContact O-N 2.78Å
407	R	98.2	Very high	97.3	Very high	32 Å²	32	27.8 Å²	27.8	12%	0.121	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-73.1	-8.4	-175.4	-45.8	-59.5	62.3	-138	-8.9	113.6	G150 E191 S216 P312 Y404 A405 Y410	G150-R407 PolarHBondContact O-NH2 3.4Å; E191-R407 IonicContact OE1-CZ 2.92Å; E191-R407 IonicContact OE1-NH1 2.8Å; E191-R407 PolarHBondContact OE1-NH1 3.3Å; E191-R407 IonicContact OE1-NH2 3.62Å; E191-R407 IonicContact OE2-CZ 3.61Å; E191-R407 IonicContact OE2-NH1 3.39Å; E191-R407 PolarHBondContact OE2-NH1 3.08Å; E191-R407 IonicContact OE2-NH2 3.54Å; E191-R407 PolarHBondContact OE2-NH2 3.02Å; S216-R407 PolarHBondContact OG-NH1 3.25Å; P312-R407 HydrophobicContact CB-CG 3.95Å; P312-R407 HydrophobicContact CG-CG 4.15Å; Y404-R407 HydrophobicContact CD1-CB 4.42Å; Y404-R407 HydrophobicContact CD1-CG 4.29Å; Y404-R407 HydrophobicContact CD2-CG 3.85Å; Y404-R407 HydrophobicContact CE1-CB 4.19Å; Y404-R407 HydrophobicContact CE1-CG 4.25Å; Y404-R407 HydrophobicContact CE2-CG 3.8Å; Y404-R407 HydrophobicContact CG-CG 4.1Å; Y404-R407 WeakPolarHBondContact O-CB 3.43Å; Y404-R407 WeakPolarHBondContact O-CG 3.39Å; Y404-R407 PolarHBondContact O-N 3.25Å; A405-R407 PolarHBondContact O-N 2.89Å; A405-R407 VanDerWaalsContact O-N 3.11Å; R407-Y410 VanDerWaalsContact O-CD1 3.25Å; R407-Y410 WeakPolarHBondContact O-CD1 3.18Å; R407-Y410 WeakPolarHBondContact O-CE1 3.48Å
408	H	98.2	Very high	97.4	Very high	25 Å²	25	31.6 Å²	31.6	12%	0.116	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-105.3	-9.2	178.9	-62.9	-67.9	0	0	0	112.9	M353 Y404 A405 L406 Y410 A411	M353-H408 HydrophobicContact CB-CB 4.18Å; M353-H408 HydrophobicContact CE-CB 4Å; M353-H408 HydrophobicContact CG-CB 4.08Å; Y404-H408 AromaticContact CD1-NE2 3.79Å; Y404-H408 AromaticContact CE1-NE2 3.75Å; A405-H408 PolarHBondContact O-N 3.34Å; L406-H408 PolarHBondContact O-N 3.29Å; H408-Y410 PolarHBondContact O-N 3.15Å; H408-Y410 VanDerWaalsContact O-N 3.17Å; H408-A411 WeakPolarHBondContact O-CB 3.49Å; H408-A411 PolarHBondContact O-N 3.44Å
409	L	98.6	Very high	97.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.1	-175.1	-61	-174.3	0	0	0	113.6	A151 I154 V387 Y390 W397 L406 A411 L412 V413	A151-L409 HydrophobicContact CB-CB 4.43Å; A151-L409 HydrophobicContact CB-CD1 3.99Å; I154-L409 HydrophobicContact CD1-CD1 3.92Å; V387-L409 HydrophobicContact CG1-CD1 4.42Å; Y390-L409 HydrophobicContact CD1-CD2 3.9Å; Y390-L409 HydrophobicContact CE1-CD2 4.22Å; W397-L409 HydrophobicContact CH2-CD1 4.04Å; W397-L409 HydrophobicContact CH2-CD2 4.37Å; W397-L409 HydrophobicContact CZ2-CD1 4.19Å; W397-L409 HydrophobicContact CZ3-CD1 4.29Å; W397-L409 HydrophobicContact CZ3-CD2 4.08Å; L406-L409 HydrophobicContact CD2-CD1 3.88Å; L406-L409 PolarHBondContact O-N 2.78Å; L409-A411 PolarHBondContact O-N 2.96Å; L409-A411 VanDerWaalsContact O-N 3.14Å; L409-L412 HydrophobicContact CD2-CD1 4.01Å; L409-L412 WeakPolarHBondContact O-CB 3.25Å; L409-L412 PolarHBondContact O-N 2.86Å; L409-V413 PolarHBondContact O-N 3.3Å
410	Y	98.5	Very high	97.6	Very high	35 Å²	35	30.7 Å²	30.7	14%	0.137	16%	0.158	C	C	.	.	H	α-helix	trans	-56	-30.3	172	79.6	-94.3	0	0	0	112.5	L371 R374 R407 H408 L412 V413 N414	L371-Y410 VanDerWaalsContact O-CE2 3.28Å; L371-Y410 WeakPolarHBondContact O-CE2 3.46Å; L371-Y410 PolarHBondContact O-OH 3.49Å; R374-Y410 VanDerWaalsContact CZ-CD2 3.43Å; R374-Y410 VanDerWaalsContact CZ-CZ 3.46Å; R374-Y410 VanDerWaalsContact NH1-CD2 3.26Å; R374-Y410 VanDerWaalsContact NH1-CZ 3.31Å; R407-Y410 VanDerWaalsContact O-CD1 3.25Å; R407-Y410 WeakPolarHBondContact O-CD1 3.18Å; R407-Y410 WeakPolarHBondContact O-CE1 3.48Å; H408-Y410 PolarHBondContact O-N 3.15Å; H408-Y410 VanDerWaalsContact O-N 3.17Å; Y410-L412 VanDerWaalsContact C-N 3.28Å; Y410-L412 PolarHBondContact O-N 3.33Å; Y410-V413 WeakPolarHBondContact O-CB 3.45Å; Y410-V413 PolarHBondContact O-N 3.33Å; Y410-N414 WeakPolarHBondContact CD2-ND2 3.42Å; Y410-N414 VanDerWaalsContact O-CG 3.23Å; Y410-N414 PolarHBondContact O-N 2.8Å; Y410-N414 PolarHBondContact O-ND2 3.46Å
411	A	98.7	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.8	-34.4	179.2	0	0	0	0	0	111.1	M353 V357 L371 H408 L409 N414 L415	M353-A411 HydrophobicContact CG-CB 3.81Å; M353-A411 HydrophobicContact SD-CB 3.91Å; V357-A411 HydrophobicContact CG2-CB 4.16Å; L371-A411 HydrophobicContact CD2-CB 3.97Å; H408-A411 WeakPolarHBondContact O-CB 3.49Å; H408-A411 PolarHBondContact O-N 3.44Å; L409-A411 PolarHBondContact O-N 2.96Å; L409-A411 VanDerWaalsContact O-N 3.14Å; A411-N414 PolarHBondContact O-N 3.13Å; A411-L415 WeakPolarHBondContact O-CG 3.3Å; A411-L415 PolarHBondContact O-N 3.12Å
412	L	98.8	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.8	-38.1	175.1	-54.6	-176.5	0	0	0	111.3	M353 Y383 A386 V387 Y390 L409 Y410 N414 L415 C416 I425 M429	M353-L412 HydrophobicContact CE-CD1 4.34Å; M353-L412 HydrophobicContact CE-CD2 3.98Å; M353-L412 HydrophobicContact CE-CG 3.99Å; M353-L412 HydrophobicContact SD-CD2 3.78Å; M353-L412 HydrophobicContact SD-CG 4.3Å; Y383-L412 HydrophobicContact CD2-CB 4.07Å; Y383-L412 HydrophobicContact CE2-CB 4.04Å; A386-L412 HydrophobicContact CB-CB 4.38Å; A386-L412 HydrophobicContact CB-CD1 4.28Å; V387-L412 HydrophobicContact CG2-CD1 4.26Å; Y390-L412 HydrophobicContact CG-CD1 4.28Å; L409-L412 HydrophobicContact CD2-CD1 4.01Å; L409-L412 WeakPolarHBondContact O-CB 3.25Å; L409-L412 PolarHBondContact O-N 2.86Å; Y410-L412 VanDerWaalsContact C-N 3.28Å; Y410-L412 PolarHBondContact O-N 3.33Å; L412-N414 VanDerWaalsContact C-N 3.34Å; L412-L415 HydrophobicContact CD2-CD1 4.41Å; L412-L415 PolarHBondContact O-N 3.5Å; L412-C416 PolarHBondContact O-N 2.93Å; L412-C416 VanDerWaalsContact O-N 3.07Å; L412-C416 PolarHBondContact O-SG 2.85Å; L412-I425 HydrophobicContact CD2-CG2 4.3Å; L412-M429 HydrophobicContact CD1-CE 3.77Å; L412-M429 HydrophobicContact CD2-CE 3.38Å; L412-M429 HydrophobicContact CG-CE 4.23Å
413	V	98.7	Very high	98.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-52.5	168.9	-178.7	0	0	0	0	109.4	P152 S375 L377 Y383 L409 Y410 L415 C416 E417	P152-V413 HydrophobicContact CB-CG2 3.99Å; S375-V413 WeakPolarHBondContact O-CG1 3.26Å; L377-V413 HydrophobicContact CB-CG1 4.17Å; L377-V413 HydrophobicContact CD1-CG1 4.08Å; L377-V413 HydrophobicContact CD1-CG2 4.35Å; Y383-V413 HydrophobicContact CD1-CG2 4.38Å; Y383-V413 HydrophobicContact CD2-CB 4.45Å; Y383-V413 HydrophobicContact CD2-CG2 3.63Å; Y383-V413 HydrophobicContact CE1-CG2 4.1Å; Y383-V413 HydrophobicContact CE2-CB 4.42Å; Y383-V413 HydrophobicContact CE2-CG2 3.3Å; Y383-V413 HydrophobicContact CG-CG2 4.16Å; L409-V413 PolarHBondContact O-N 3.3Å; Y410-V413 WeakPolarHBondContact O-CB 3.45Å; Y410-V413 PolarHBondContact O-N 3.33Å; V413-L415 VanDerWaalsContact C-N 3.29Å; V413-L415 PolarHBondContact O-N 2.76Å; V413-C416 PolarHBondContact O-N 3.14Å; V413-C416 VanDerWaalsContact O-N 3.11Å; V413-E417 HydrophobicContact CG1-CG 3.93Å; V413-E417 WeakPolarHBondContact O-CG 3.42Å; V413-E417 PolarHBondContact O-N 3.02Å
414	N	98.7	Very high	98.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-36.1	-177	-70	-16.7	0	0	0	113.6	V370 N373 S375 Y410 A411 L412 R418	V370-N414 HydrophobicContact CG1-CB 3.88Å; V370-N414 PolarHBondContact O-ND2 2.88Å; N373-N414 PolarHBondContact O-ND2 2.92Å; S375-N414 VanDerWaalsContact CB-OD1 3.25Å; S375-N414 WeakPolarHBondContact CB-OD1 3.47Å; S375-N414 PolarHBondContact N-OD1 3.34Å; S375-N414 PolarHBondContact OG-OD1 3.37Å; Y410-N414 WeakPolarHBondContact CD2-ND2 3.42Å; Y410-N414 VanDerWaalsContact O-CG 3.23Å; Y410-N414 PolarHBondContact O-N 2.8Å; Y410-N414 PolarHBondContact O-ND2 3.46Å; A411-N414 PolarHBondContact O-N 3.13Å; L412-N414 VanDerWaalsContact C-N 3.34Å; N414-R418 WeakPolarHBondContact O-CB 3.34Å; N414-R418 VanDerWaalsContact O-CD 3.28Å; N414-R418 WeakPolarHBondContact O-CD 3.39Å; N414-R418 VanDerWaalsContact O-CG 3.26Å; N414-R418 WeakPolarHBondContact O-CG 3.39Å; N414-R418 PolarHBondContact O-N 2.98Å; N414-R418 PolarHBondContact O-NH1 3.18Å
415	L	98.8	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-50.8	173.3	-73.7	175.2	0	0	0	111.2	V357 V360 T361 V370 A411 L412 V413 E417 R418 G419 Y420 I425	V357-L415 HydrophobicContact CG1-CD2 4.31Å; V357-L415 HydrophobicContact CG2-CD1 4.08Å; V357-L415 HydrophobicContact CG2-CG 4.45Å; V360-L415 HydrophobicContact CB-CD1 4.43Å; V360-L415 HydrophobicContact CB-CD2 4.23Å; V360-L415 HydrophobicContact CG1-CD1 4.46Å; V360-L415 HydrophobicContact CG1-CD2 3.86Å; V360-L415 HydrophobicContact CG2-CD1 4.25Å; T361-L415 HydrophobicContact CG2-CD2 4.25Å; V370-L415 HydrophobicContact CG1-CD2 3.93Å; V370-L415 HydrophobicContact CG1-CG 3.98Å; V370-L415 HydrophobicContact CG2-CD2 3.99Å; A411-L415 WeakPolarHBondContact O-CG 3.3Å; A411-L415 PolarHBondContact O-N 3.12Å; L412-L415 HydrophobicContact CD2-CD1 4.41Å; L412-L415 PolarHBondContact O-N 3.5Å; V413-L415 VanDerWaalsContact C-N 3.29Å; V413-L415 PolarHBondContact O-N 2.76Å; L415-E417 PolarHBondContact O-N 3.19Å; L415-R418 PolarHBondContact O-N 3.42Å; L415-R418 VanDerWaalsContact O-N 3.16Å; L415-G419 PolarHBondContact O-N 2.95Å; L415-Y420 HydrophobicContact CB-CD2 4.41Å; L415-Y420 HydrophobicContact CD2-CD2 3.77Å; L415-Y420 HydrophobicContact CD2-CE2 4.08Å; L415-Y420 HydrophobicContact CD2-CG 4.38Å; L415-Y420 WeakPolarHBondContact O-CD2 3.26Å; L415-Y420 PolarHBondContact O-N 3.1Å; L415-I425 HydrophobicContact CB-CD1 3.77Å; L415-I425 HydrophobicContact CB-CG1 4.33Å; L415-I425 HydrophobicContact CD1-CD1 4.42Å; L415-I425 HydrophobicContact CD1-CG1 4.23Å; L415-I425 HydrophobicContact CD1-CG2 4.37Å
416	C	98.7	Very high	98.4	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.02	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-45.2	178.8	-72.5	0	0	0	0	112	Q379 C382 Y383 L412 V413 R418 G419	Q379-C416 HydrophobicContact CB-CB 3.91Å; C382-C416 HydrophobicContact CB-CB 3.71Å; C382-C416 WeakPolarHBondContact CB-SG 3.39Å; C382-C416 VanDerWaalsContact SG-CA 3.56Å; C382-C416 WeakPolarHBondContact SG-CB 3.25Å; C382-C416 CovalentContact SG-SG 2.05Å; C382-C416 PolarHBondContact SG-SG 2.92Å; Y383-C416 PolarHBondContact N-SG 2.91Å; Y383-C416 VanDerWaalsContact N-SG 3.39Å; L412-C416 PolarHBondContact O-N 2.93Å; L412-C416 VanDerWaalsContact O-N 3.07Å; L412-C416 PolarHBondContact O-SG 2.85Å; V413-C416 PolarHBondContact O-N 3.14Å; V413-C416 VanDerWaalsContact O-N 3.11Å; C416-R418 PolarHBondContact O-N 2.71Å; C416-G419 PolarHBondContact O-N 2.91Å
417	E	98.4	Very high	98.3	Very high	49 Å²	49	36.7 Å²	36.7	23%	0.229	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-19.4	178.7	-63.8	-52.3	137.8	0	0	113.6	D376 S378 Q379 V413 L415 G419	D376-E417 WeakPolarHBondContact O-CG 3.43Å; S378-E417 WeakPolarHBondContact CA-OE1 3.49Å; S378-E417 PolarHBondContact N-OE1 2.84Å; S378-E417 PolarHBondContact OG-OE1 3.01Å; S378-E417 PolarHBondContact OG-OE2 3.33Å; Q379-E417 WeakPolarHBondContact CB-OE1 3.46Å; Q379-E417 PolarHBondContact N-OE1 2.88Å; V413-E417 HydrophobicContact CG1-CG 3.93Å; V413-E417 WeakPolarHBondContact O-CG 3.42Å; V413-E417 PolarHBondContact O-N 3.02Å; L415-E417 PolarHBondContact O-N 3.19Å; E417-G419 VanDerWaalsContact C-N 3.27Å
418	R	97.8	Very high	98.3	Very high	86 Å²	86	35.3 Å²	35.3	33%	0.325	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.4	172.8	-77.1	165.6	176.6	62.4	4.4	113.2	E369 N373 S375 N414 L415 C416 Y420	E369-R418 PolarHBondContact O-NH2 3.06Å; N373-R418 VanDerWaalsContact CB-NH2 3.29Å; N373-R418 PolarHBondContact ND2-NH2 3.34Å; S375-R418 PolarHBondContact OG-NH1 3.04Å; N414-R418 WeakPolarHBondContact O-CB 3.34Å; N414-R418 VanDerWaalsContact O-CD 3.28Å; N414-R418 WeakPolarHBondContact O-CD 3.39Å; N414-R418 VanDerWaalsContact O-CG 3.26Å; N414-R418 WeakPolarHBondContact O-CG 3.39Å; N414-R418 PolarHBondContact O-N 2.98Å; N414-R418 PolarHBondContact O-NH1 3.18Å; L415-R418 PolarHBondContact O-N 3.42Å; L415-R418 VanDerWaalsContact O-N 3.16Å; C416-R418 PolarHBondContact O-N 2.71Å; R418-Y420 HydrophobicContact CB-CD2 3.86Å; R418-Y420 HydrophobicContact CB-CE2 3.83Å
419	G	97.8	Very high	98.3	Very high	63 Å²	63	34.1 Å²	34.1	65%	0.649	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	15.9	176.3	0	0	0	0	0	114.4	L415 C416 E417	L415-G419 PolarHBondContact O-N 2.95Å; C416-G419 PolarHBondContact O-N 2.91Å; E417-G419 VanDerWaalsContact C-N 3.27Å
420	Y	98.3	Very high	98.2	Very high	47 Å²	47	37.4 Å²	37.4	18%	0.184	21%	0.206	C	C	.	.			trans	-69.6	127.5	169.9	-67.7	-77.9	0	0	0	109.4	V360 T361 L415 R418	V360-Y420 HydrophobicContact CG1-CD1 3.54Å; V360-Y420 HydrophobicContact CG1-CD2 4.31Å; V360-Y420 HydrophobicContact CG1-CE1 4.14Å; V360-Y420 HydrophobicContact CG1-CG 3.64Å; T361-Y420 HydrophobicContact CG2-CE2 4.31Å; L415-Y420 HydrophobicContact CB-CD2 4.41Å; L415-Y420 HydrophobicContact CD2-CD2 3.77Å; L415-Y420 HydrophobicContact CD2-CE2 4.08Å; L415-Y420 HydrophobicContact CD2-CG 4.38Å; L415-Y420 WeakPolarHBondContact O-CD2 3.26Å; L415-Y420 PolarHBondContact O-N 3.1Å; R418-Y420 HydrophobicContact CB-CD2 3.86Å; R418-Y420 HydrophobicContact CB-CE2 3.83Å
421	P	97.9	Very high	98.1	Very high	80 Å²	80	38.9 Å²	38.9	52%	0.519	23%	0.226	S	C	.	.			trans	-61.1	143.6	-180	-23.9	33.7	0	0	0	112.3	E423 S424 I425	P421-E423 PolarHBondContact O-N 3.2Å; P421-S424 PolarHBondContact O-N 3.28Å; P421-S424 VanDerWaalsContact O-N 3.09Å; P421-S424 PolarHBondContact O-OG 2.82Å; P421-I425 PolarHBondContact O-N 2.91Å
422	A	98.1	Very high	98.1	Very high	28 Å²	28	40.9 Å²	40.9	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-54.2	-40.6	176.1	0	0	0	0	0	111.9	C382 A385 S424 I425 L426	C382-A422 HydrophobicContact CB-CB 4.43Å; A385-A422 HydrophobicContact CB-CB 4.32Å; A422-S424 VanDerWaalsContact C-N 3.33Å; A422-S424 PolarHBondContact O-N 3.14Å; A422-I425 WeakPolarHBondContact O-CB 3.29Å; A422-I425 PolarHBondContact O-N 3.37Å; A422-I425 VanDerWaalsContact O-N 3.14Å; A422-L426 HydrophobicContact CB-CD1 4.46Å; A422-L426 WeakPolarHBondContact O-CD1 3.43Å; A422-L426 PolarHBondContact O-N 3.38Å
423	E	98	Very high	97.9	Very high	141 Å²	141	41.1 Å²	41.1	66%	0.659	24%	0.239	S	C	*	.	H	α-helix	trans	-57.2	-41.7	178.4	-168.1	-176.1	176.2	0	0	112.9	P421 L426 M427	P421-E423 PolarHBondContact O-N 3.2Å; E423-L426 PolarHBondContact O-N 2.92Å; E423-M427 HydrophobicContact CG-CE 4.11Å; E423-M427 WeakPolarHBondContact O-CB 3.35Å; E423-M427 WeakPolarHBondContact O-CG 3.38Å; E423-M427 PolarHBondContact O-N 3.08Å
424	S	98.1	Very high	96.7	Very high	34 Å²	34	44.9 Å²	44.9	24%	0.238	26%	0.264	C	S	.	.	H	α-helix	trans	-70.2	-34.8	178.8	66.2	0	0	0	0	112.2	P421 A422 A428	P421-S424 PolarHBondContact O-N 3.28Å; P421-S424 VanDerWaalsContact O-N 3.09Å; P421-S424 PolarHBondContact O-OG 2.82Å; A422-S424 VanDerWaalsContact C-N 3.33Å; A422-S424 PolarHBondContact O-N 3.14Å; S424-A428 WeakPolarHBondContact O-CB 3.38Å; S424-A428 PolarHBondContact O-N 3.29Å
425	I	98.7	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.2	-46.7	174	-59.6	170.7	0	0	0	110.3	V360 A386 L412 L415 P421 A422 A428 M429	V360-I425 HydrophobicContact CG1-CG1 4.27Å; V360-I425 HydrophobicContact CG2-CB 4.44Å; V360-I425 HydrophobicContact CG2-CG1 4.22Å; A386-I425 HydrophobicContact CB-CG2 3.99Å; L412-I425 HydrophobicContact CD2-CG2 4.3Å; L415-I425 HydrophobicContact CB-CD1 3.77Å; L415-I425 HydrophobicContact CB-CG1 4.33Å; L415-I425 HydrophobicContact CD1-CD1 4.42Å; L415-I425 HydrophobicContact CD1-CG1 4.23Å; L415-I425 HydrophobicContact CD1-CG2 4.37Å; P421-I425 PolarHBondContact O-N 2.91Å; A422-I425 WeakPolarHBondContact O-CB 3.29Å; A422-I425 PolarHBondContact O-N 3.37Å; A422-I425 VanDerWaalsContact O-N 3.14Å; I425-A428 WeakPolarHBondContact O-CB 3.45Å; I425-A428 PolarHBondContact O-N 3.09Å; I425-M429 HydrophobicContact CG2-CE 3.6Å; I425-M429 HydrophobicContact CG2-SD 4.41Å; I425-M429 WeakPolarHBondContact O-CG 3.33Å; I425-M429 PolarHBondContact O-N 3Å
426	L	98.4	Very high	93.2	Very high	39 Å²	39	52.9 Å²	52.9	20%	0.204	30%	0.304	C	S	.	.	H	α-helix	trans	-63.5	-46.5	178.7	-88.1	67.2	0	0	0	111.7	H389 A422 E423 A428 M429 D430	H389-L426 HydrophobicContact CB-CD1 4.13Å; H389-L426 HydrophobicContact CB-CD2 4.03Å; H389-L426 HydrophobicContact CB-CG 3.66Å; A422-L426 HydrophobicContact CB-CD1 4.46Å; A422-L426 WeakPolarHBondContact O-CD1 3.43Å; A422-L426 PolarHBondContact O-N 3.38Å; E423-L426 PolarHBondContact O-N 2.92Å; L426-A428 VanDerWaalsContact C-N 3.27Å; L426-A428 PolarHBondContact O-N 2.96Å; L426-M429 WeakPolarHBondContact O-CB 3.29Å; L426-M429 PolarHBondContact O-N 3.09Å; L426-M429 VanDerWaalsContact O-N 3.12Å; L426-D430 PolarHBondContact O-N 2.94Å
427	M	97.6	Very high	90.5	Very high	106 Å²	106	65.6 Å²	65.6	52%	0.522	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-35.4	175.6	-74	-172.5	-65.7	0	0	112.6	E423 D430 A431	E423-M427 HydrophobicContact CG-CE 4.11Å; E423-M427 WeakPolarHBondContact O-CB 3.35Å; E423-M427 WeakPolarHBondContact O-CG 3.38Å; E423-M427 PolarHBondContact O-N 3.08Å; M427-D430 PolarHBondContact O-N 3.49Å; M427-A431 WeakPolarHBondContact O-CB 3.42Å; M427-A431 PolarHBondContact O-N 2.97Å; M427-A431 VanDerWaalsContact O-N 3.09Å
428	A	98.3	Very high	90.1	Very high	3 Å²	3	66.4 Å²	66.4	3%	0.025	37%	0.365	C	S	.	.	H	α-helix	trans	-66.3	-40.8	174.7	0	0	0	0	0	111.8	I356 K359 V360 S424 I425 L426 A431 V432	I356-A428 HydrophobicContact CG2-CB 4.29Å; K359-A428 HydrophobicContact CB-CB 3.87Å; K359-A428 HydrophobicContact CG-CB 3.74Å; V360-A428 HydrophobicContact CG2-CB 3.42Å; V360-A428 VanDerWaalsContact CG2-CB 3.42Å; S424-A428 WeakPolarHBondContact O-CB 3.38Å; S424-A428 PolarHBondContact O-N 3.29Å; I425-A428 WeakPolarHBondContact O-CB 3.45Å; I425-A428 PolarHBondContact O-N 3.09Å; L426-A428 VanDerWaalsContact C-N 3.27Å; L426-A428 PolarHBondContact O-N 2.96Å; A428-A431 PolarHBondContact O-N 2.96Å; A428-V432 WeakPolarHBondContact O-CB 3.4Å; A428-V432 VanDerWaalsContact O-CG2 3.26Å; A428-V432 WeakPolarHBondContact O-CG2 3.31Å; A428-V432 PolarHBondContact O-N 3.01Å; A428-V432 VanDerWaalsContact O-N 3.08Å
429	M	98.3	Very high	89.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60.2	-46.2	172.6	-68.3	168.6	179.6	0	0	111.3	I356 A386 H389 Y390 L412 I425 L426 A431 V432 C433	I356-M429 HydrophobicContact CD1-CG 3.98Å; I356-M429 HydrophobicContact CG1-CG 4.3Å; I356-M429 HydrophobicContact CG2-CG 4Å; A386-M429 HydrophobicContact CB-CE 4.31Å; H389-M429 HydrophobicContact CB-SD 4.23Å; Y390-M429 HydrophobicContact CD2-CE 3.93Å; Y390-M429 HydrophobicContact CD2-CG 4.37Å; Y390-M429 HydrophobicContact CD2-SD 4.26Å; Y390-M429 HydrophobicContact CG-CE 4.23Å; L412-M429 HydrophobicContact CD1-CE 3.77Å; L412-M429 HydrophobicContact CD2-CE 3.38Å; L412-M429 HydrophobicContact CG-CE 4.23Å; I425-M429 HydrophobicContact CG2-CE 3.6Å; I425-M429 HydrophobicContact CG2-SD 4.41Å; I425-M429 WeakPolarHBondContact O-CG 3.33Å; I425-M429 PolarHBondContact O-N 3Å; L426-M429 WeakPolarHBondContact O-CB 3.29Å; L426-M429 PolarHBondContact O-N 3.09Å; L426-M429 VanDerWaalsContact O-N 3.12Å; M429-A431 PolarHBondContact O-N 3.3Å; M429-V432 PolarHBondContact O-N 3.49Å; M429-C433 VanDerWaalsContact O-CB 3.24Å; M429-C433 WeakPolarHBondContact O-CB 3.37Å; M429-C433 PolarHBondContact O-N 2.67Å; M429-C433 PolarHBondContact O-SG 2.79Å; M429-C433 VanDerWaalsContact O-SG 3.33Å
430	D	96.7	Very high	89.3	Confident	70 Å²	70	65.5 Å²	65.5	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-30.9	178.2	-66.8	-25.6	0	0	0	112.7	H389 L426 M427 S436	H389-D430 IonicContact CD2-OD1 3.42Å; H389-D430 IonicContact CE1-OD1 3.7Å; H389-D430 PolarHBondContact CE1-OD1 2.91Å; H389-D430 IonicContact CE1-OD2 3.38Å; H389-D430 IonicContact NE2-OD1 2.7Å; H389-D430 PolarHBondContact NE2-OD1 3.3Å; H389-D430 IonicContact NE2-OD2 2.69Å; L426-D430 PolarHBondContact O-N 2.94Å; M427-D430 PolarHBondContact O-N 3.49Å; D430-S436 VanDerWaalsContact O-CB 3.29Å; D430-S436 WeakPolarHBondContact O-CB 3.38Å; D430-S436 PolarHBondContact O-OG 3.01Å
431	A	96.3	Very high	88.8	Confident	66 Å²	66	66.6 Å²	66.6	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-80.9	-27.3	178.5	0	0	0	0	0	114	M427 A428 M429	M427-A431 WeakPolarHBondContact O-CB 3.42Å; M427-A431 PolarHBondContact O-N 2.97Å; M427-A431 VanDerWaalsContact O-N 3.09Å; A428-A431 PolarHBondContact O-N 2.96Å; M429-A431 PolarHBondContact O-N 3.3Å
432	V	97	Very high	88.2	Confident	41 Å²	41	65.8 Å²	65.8	25%	0.248	35%	0.352	C	S	.	.	H	α-helix	trans	-105.4	-37.6	-169.5	175.2	0	0	0	0	112.1	T352 H355 I356 K359 A428 M429	T352-V432 HydrophobicContact CG2-CG1 4.12Å; H355-V432 HydrophobicContact CB-CG1 3.58Å; H355-V432 HydrophobicContact CB-CG2 4.35Å; I356-V432 HydrophobicContact CG1-CB 3.93Å; I356-V432 HydrophobicContact CG1-CG1 3.93Å; I356-V432 HydrophobicContact CG1-CG2 4.41Å; K359-V432 HydrophobicContact CB-CG2 4.22Å; K359-V432 HydrophobicContact CG-CG2 4.45Å; A428-V432 WeakPolarHBondContact O-CB 3.4Å; A428-V432 VanDerWaalsContact O-CG2 3.26Å; A428-V432 WeakPolarHBondContact O-CG2 3.31Å; A428-V432 PolarHBondContact O-N 3.01Å; A428-V432 VanDerWaalsContact O-N 3.08Å; M429-V432 PolarHBondContact O-N 3.49Å
433	C	94.4	Very high	87.5	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.034	36%	0.36	C	S	.	.			trans	-71.5	141.2	-169.9	-66.2	0	0	0	0	112	S393 C394 M429 F435 S436	S393-C433 VanDerWaalsContact O-CB 3.26Å; S393-C433 WeakPolarHBondContact O-CB 3.4Å; C394-C433 HydrophobicContact CB-CB 3.74Å; C394-C433 WeakPolarHBondContact CB-SG 3.43Å; C394-C433 WeakPolarHBondContact SG-CB 3.39Å; C394-C433 CovalentContact SG-SG 2.02Å; C394-C433 PolarHBondContact SG-SG 3.35Å; M429-C433 VanDerWaalsContact O-CB 3.24Å; M429-C433 WeakPolarHBondContact O-CB 3.37Å; M429-C433 PolarHBondContact O-N 2.67Å; M429-C433 PolarHBondContact O-SG 2.79Å; M429-C433 VanDerWaalsContact O-SG 3.33Å; C433-F435 PolarHBondContact O-N 3.28Å; C433-S436 PolarHBondContact O-OG 3.48Å
434	P	74.4	Confident	86.8	Confident	81 Å²	81	63.1 Å²	63.1	53%	0.526	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.1	-170.3	24.9	-31.8	0	0	0	114.1	F395	F395-P434 HydrophobicContact CZ-CG 4.46Å
435	F	70.3	Confident	85.9	Confident	127 Å²	127	65.3 Å²	65.3	56%	0.557	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	7.2	-173.8	-49.5	-73	0	0	0	114	C394 F395 C433 K437	C394-F435 WeakPolarHBondContact O-CD2 3.32Å; C394-F435 VanDerWaalsContact O-CE2 3.31Å; C394-F435 WeakPolarHBondContact O-CE2 3.46Å; F395-F435 HydrophobicContact CD1-CE2 4.34Å; F395-F435 HydrophobicContact CE1-CE2 4.23Å; C433-F435 PolarHBondContact O-N 3.28Å; F435-K437 PolarHBondContact O-N 3.24Å; F435-K437 VanDerWaalsContact O-N 3.17Å
436	S	54.6	Low	84.8	Confident	42 Å²	42	70.8 Å²	70.8	29%	0.294	38%	0.375	S	S	.	.			trans	-84.2	29.8	-175.7	56.4	0	0	0	0	114.8	D430 C433	D430-S436 VanDerWaalsContact O-CB 3.29Å; D430-S436 WeakPolarHBondContact O-CB 3.38Å; D430-S436 PolarHBondContact O-OG 3.01Å; C433-S436 PolarHBondContact O-OG 3.48Å
437	K	41.9	Very low	83.6	Confident	269 Å²	269	73.6 Å²	73.6	100%	1.17	39%	0.39	S	S	*	.			trans	-123.2	0	176.2	-78.3	-171.5	179.6	178.1	0	113.4	F435	F435-K437 PolarHBondContact O-N 3.24Å; F435-K437 VanDerWaalsContact O-N 3.17Å

Retrieved 437 of 437 residues in 292.2 ms (Link to these results)

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