A0A087XGG5_POEFO Loading...

Acireductone dioxygenase

Catalyzes 2 different reactions between oxygen and the acireductone 1,2-dihydroxy-3-keto-5-methylthiopentene (DHK-MTPene) depending upon the metal bound in the active site. Fe-containing acireductone dioxygenase (Fe-ARD) produces formate and 2-keto-4-methylthiobutyrate (KMTB), the alpha-ketoacid precursor of methionine in the methionine recycle pathway. Ni-containing acireductone dioxygenase (Ni-ARD) produces methylthiopropionate, carbon monoxide and formate, and does not lie on the methionine recycle pathway.

AlphaFold DB (A0A3B3TJI8), UniProt , Accession A0A087XGG5, Species POEFO (Poecilia formosa, Amazon molly), Gene ADI1, Length 212 aa.

Structure Viewer

Loading PAE data...

(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	42.1	Very low	40.1	Very low	247 Å²	247	156.1 Å²	156.1	100%	1.217	85%	0.848	S	S	*	*				0	91.5	0	-75.1	170.7	179.5	0	0	107
2	S	39.1	Very low	40.1	Very low	122 Å²	122	153.5 Å²	153.5	85%	0.853	83%	0.833	S	S	*	*			trans	-111.5	142.1	-171.4	38	0	0	0	0	109.5
3	F	36.2	Very low	40	Very low	209 Å²	209	154.8 Å²	154.8	92%	0.917	84%	0.838	S	S	*	*			trans	-64.7	139.1	-171.9	-79.7	-101.8	0	0	0	113.2
4	S	43.3	Very low	39.8	Very low	97 Å²	97	149.9 Å²	149.9	68%	0.678	82%	0.821	S	S	*	*			trans	-71.8	149.2	163.8	-175.3	0	0	0	0	110.3
5	P	47.7	Very low	39.8	Very low	126 Å²	126	151.6 Å²	151.6	82%	0.818	82%	0.821	S	S	*	*				-137.8	152.7	113.9	25.1	-6.4	0	0	0	114.1
6	K	40.2	Very low	39.9	Very low	203 Å²	203	152.3 Å²	152.3	88%	0.883	82%	0.822	S	S	*	*			trans	-73	140	-178.1	-70.4	174.5	174.9	177.6	0	112.1
7	S	37.9	Very low	39.6	Very low	119 Å²	119	149.1 Å²	149.1	83%	0.832	81%	0.814	S	S	*	*			trans	-83	160.2	173.5	164.4	0	0	0	0	112.1
8	A	37.2	Very low	39.4	Very low	78 Å²	78	152.9 Å²	152.9	65%	0.645	82%	0.822	S	S	*	*			trans	92.9	93	156.2	0	0	0	0	0	118.3
9	F	36.8	Very low	39.5	Very low	201 Å²	201	150.9 Å²	150.9	88%	0.882	82%	0.815	S	S	*	*			trans	-122.5	96.8	139.6	-103	-90	0	0	0	107
10	V	40.6	Very low	39.6	Very low	138 Å²	138	153.3 Å²	153.3	84%	0.836	82%	0.818	S	S	*	*			trans	-102.7	111.2	164.8	177.8	0	0	0	0	105.5
11	K	39.6	Very low	39.2	Very low	177 Å²	177	152.4 Å²	152.4	77%	0.77	81%	0.813	S	S	*	*			trans	-81.5	122.7	169	-76.2	-176.4	177.6	-179	0	108.1
12	D	40.9	Very low	38.9	Very low	125 Å²	125	146.3 Å²	146.3	67%	0.668	79%	0.793	S	S	*	*			trans	-46.6	123.8	167.8	-172.5	0.1	0	0	0	111.7	S14	D12-S14 WeakPolarHBondContact OD1-CB 3.42Å; D12-S14 PolarHBondContact OD1-N 2.8Å; D12-S14 PolarHBondContact OD1-OG 3.33Å
13	L	38.4	Very low	38.9	Very low	170 Å²	170	147.1 Å²	147.1	89%	0.89	79%	0.787	S	S	*	*			trans	-126.8	56.1	168.1	-75.8	173.5	0	0	0	108.1	Q15	L13-Q15 PolarHBondContact O-N 2.93Å
14	S	36.5	Very low	38.9	Very low	87 Å²	87	148.5 Å²	148.5	61%	0.608	79%	0.787	S	S	*	*			trans	-85.4	78.6	164.2	54.5	0	0	0	0	109.9	D12	D12-S14 WeakPolarHBondContact OD1-CB 3.42Å; D12-S14 PolarHBondContact OD1-N 2.8Å; D12-S14 PolarHBondContact OD1-OG 3.33Å
15	Q	40.6	Very low	39	Very low	175 Å²	175	150 Å²	150	82%	0.818	79%	0.792	S	S	*	*			trans	-160.3	135	150.4	-80.7	-135.2	45.1	0	0	110.5	L13	L13-Q15 PolarHBondContact O-N 2.93Å
16	I	41.1	Very low	38.5	Very low	163 Å²	163	153.3 Å²	153.3	84%	0.836	79%	0.793	S	S	*	*			trans	86	89.7	167	-49.5	153.9	0	0	0	115.5
17	S	34.6	Very low	38.7	Very low	98 Å²	98	150 Å²	150	69%	0.685	79%	0.79	S	S	*	*			trans	-158.2	97	132.7	-168.2	0	0	0	0	109.4	V19	S17-V19 PolarHBondContact O-N 3.3Å; S17-V19 VanDerWaalsContact OG-CG2 3.29Å; S17-V19 WeakPolarHBondContact OG-CG2 3.34Å
18	F	36.9	Very low	38.8	Very low	218 Å²	218	153 Å²	153	96%	0.956	79%	0.791	S	S	*	*			trans	-69.8	102.6	161.3	-99.7	-99.5	0	0	0	107
19	V	40.3	Very low	39.2	Very low	115 Å²	115	155.4 Å²	155.4	70%	0.697	80%	0.8	S	S	*	*			trans	-104.6	118.2	169.7	-177.5	0	0	0	0	108.4	S17 N21	S17-V19 PolarHBondContact O-N 3.3Å; S17-V19 VanDerWaalsContact OG-CG2 3.29Å; S17-V19 WeakPolarHBondContact OG-CG2 3.34Å; V19-N21 PolarHBondContact O-N 3.2Å
20	F	42.3	Very low	39.4	Very low	197 Å²	197	152.5 Å²	152.5	86%	0.864	79%	0.793	S	S	*	*			trans	-32.8	125.3	166.4	-83.4	-100.1	0	0	0	112.9
21	N	31.3	Very low	39.3	Very low	135 Å²	135	152.3 Å²	152.3	72%	0.722	79%	0.792	S	S	*	*			trans	-122.9	73.8	162.9	-150	11.9	0	0	0	109.1	V19 L23	V19-N21 PolarHBondContact O-N 3.2Å; N21-L23 PolarHBondContact O-N 2.8Å
22	C	35.9	Very low	39.2	Very low	119 Å²	119	152 Å²	152	80%	0.804	79%	0.791	S	S	*	*			trans	-76.7	99.3	161	-172.7	0	0	0	0	106.7	R24	C22-R24 PolarHBondContact O-N 3.27Å
23	L	38.4	Very low	39.5	Very low	139 Å²	139	152 Å²	152	73%	0.728	80%	0.801	S	S	*	*			trans	-66.1	118.1	179	-87.5	155.8	0	0	0	110.1	N21 V25	N21-L23 PolarHBondContact O-N 2.8Å; L23-V25 PolarHBondContact O-N 2.73Å
24	R	36.8	Very low	40.4	Very low	238 Å²	238	149.5 Å²	149.5	90%	0.898	79%	0.786	S	S	*	*			trans	-42.6	118	164.1	-90.6	170.8	163.3	159.6	-5.2	111.6	C22	C22-R24 PolarHBondContact O-N 3.27Å
25	V	44.8	Very low	42.3	Very low	129 Å²	129	147.2 Å²	147.2	78%	0.782	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-77.2	121.7	157.2	177.9	0	0	0	0	107.5	L23 T27	L23-V25 PolarHBondContact O-N 2.73Å; V25-T27 PolarHBondContact O-N 3.22Å
26	K	37.2	Very low	44.8	Very low	196 Å²	196	139.8 Å²	139.8	85%	0.852	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-72.9	119.2	167.7	-70.5	-176.6	177.8	-179.3	0	107.7
27	T	44.1	Very low	47.5	Very low	132 Å²	132	136.6 Å²	136.6	81%	0.81	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-82.6	116.7	171.6	50.9	0	0	0	0	109.2	V25	V25-T27 PolarHBondContact O-N 3.22Å
28	E	39.7	Very low	50.5	Low	184 Å²	184	132.1 Å²	132.1	86%	0.86	69%	0.693	S	S	*	*			trans	-106.3	140.6	153.9	-68.4	-145.2	171.4	0	0	108.9
29	P	46.3	Very low	53.5	Low	127 Å²	127	122 Å²	122	83%	0.825	65%	0.648	S	S	*	*			trans	-90.9	134.3	-172.7	34.3	-30	0	0	0	113
30	D	42.3	Very low	56.3	Low	141 Å²	141	117.3 Å²	117.3	75%	0.754	62%	0.618	S	S	*	*			trans	75.5	93.5	149.8	-146.4	10	0	0	0	120.6	F32	D30-F32 PolarHBondContact OD1-N 3.38Å
31	V	37.3	Very low	58.9	Low	134 Å²	134	109.1 Å²	109.1	81%	0.812	58%	0.583	S	S	*	*	S	Bend	trans	-135.5	90.4	140.8	-177.6	0	0	0	0	107.3
32	F	38.3	Very low	62.1	Low	169 Å²	169	105.1 Å²	105.1	74%	0.741	56%	0.562	S	S	*	*			trans	58.4	116.7	178.7	-76.7	-92.3	0	0	0	115.3	D30 M34	D30-F32 PolarHBondContact OD1-N 3.38Å; F32-M34 VanDerWaalsContact C-N 3.28Å; F32-M34 HydrophobicContact CB-CG 4.01Å; F32-M34 PolarHBondContact O-N 3.03Å
33	S	46.1	Very low	64.8	Low	125 Å²	125	103.7 Å²	103.7	87%	0.874	57%	0.567	S	S	*	*			trans	-54.6	88.5	163.1	-179.8	0	0	0	0	110.8
34	M	57.8	Low	67.6	Low	118 Å²	118	99.4 Å²	99.4	58%	0.581	55%	0.549	S	S	*	.			trans	-108.7	43.3	176.7	-66.4	-149.3	-63.6	0	0	111	F32	F32-M34 VanDerWaalsContact C-N 3.28Å; F32-M34 HydrophobicContact CB-CG 4.01Å; F32-M34 PolarHBondContact O-N 3.03Å
35	G	75.7	Confident	70.3	Confident	39 Å²	39	95.9 Å²	95.9	40%	0.402	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-69.2	166.4	168.2	0	0	0	0	0	112
36	L	93.1	Very high	72.8	Confident	19 Å²	19	95 Å²	95	10%	0.099	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-62	132.6	166.8	-174.6	72	0	0	0	109	L62 L65 Y72 I151 A152 M153	L36-L62 HydrophobicContact CB-CD2 3.94Å; L36-L62 HydrophobicContact CD2-CD2 3.62Å; L36-L62 HydrophobicContact CG-CD2 4.42Å; L36-L65 HydrophobicContact CD2-CD1 3.87Å; L36-Y72 HydrophobicContact CB-CD1 4.38Å; L36-Y72 HydrophobicContact CB-CD2 4.18Å; L36-Y72 HydrophobicContact CB-CE1 4.13Å; L36-Y72 HydrophobicContact CB-CE2 3.92Å; L36-Y72 HydrophobicContact CB-CG 4.38Å; L36-Y72 HydrophobicContact CD1-CD2 3.96Å; L36-Y72 HydrophobicContact CD1-CE2 3.8Å; L36-Y72 HydrophobicContact CD2-CD2 3.81Å; L36-Y72 HydrophobicContact CD2-CE2 4.34Å; L36-Y72 HydrophobicContact CD2-CG 3.94Å; L36-Y72 HydrophobicContact CG-CD2 4.21Å; L36-Y72 HydrophobicContact CG-CE2 4.24Å; L36-I151 HydrophobicContact CD1-CG2 3.85Å; L36-I151 HydrophobicContact CD2-CG2 3.7Å; L36-I151 HydrophobicContact CG-CG2 3.94Å; L36-A152 WeakPolarHBondContact CD1-O 3.23Å; L36-M153 HydrophobicContact CD1-SD 3.58Å; L36-M153 VanDerWaalsContact CD1-SD 3.58Å
37	E	97.8	Very high	75.6	Confident	96 Å²	96	89.6 Å²	89.6	45%	0.449	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.7	173.3	-67.4	-173.2	77.4	0	0	110.2	W39 R53 A152	E37-W39 HydrophobicContact CB-CE3 4.2Å; E37-W39 HydrophobicContact CB-CZ3 3.77Å; E37-R53 IonicContact OE1-CZ 3.02Å; E37-R53 IonicContact OE1-NH2 3.22Å; E37-R53 PolarHBondContact OE1-NH2 2.75Å; E37-A152 HydrophobicContact CB-CB 4.31Å; E37-A152 PolarHBondContact O-N 2.97Å
38	A	98.6	Very high	78.2	Confident	5 Å²	5	85.9 Å²	85.9	4%	0.041	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149	170	0	0	0	0	0	110.9	S59 V60 L65 I149 R150 I151	A38-S59 CarbonylContact O-C 3.6Å; A38-S59 WeakPolarHBondContact O-CA 3.46Å; A38-V60 HydrophobicContact CB-CB 4.04Å; A38-V60 PolarHBondContact O-N 3.26Å; A38-L65 HydrophobicContact CB-CD1 4Å; A38-I149 HydrophobicContact CB-CG2 4.14Å; A38-R150 CarbonylContact C-O 3.53Å; A38-R150 WeakPolarHBondContact CA-O 3.4Å; A38-R150 WeakPolarHBondContact CB-O 3.42Å; A38-I151 HydrophobicContact CB-CG1 4.12Å
39	W	98.8	Very high	80.9	Confident	4 Å²	4	79.3 Å²	79.3	2%	0.015	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	157.3	-176.8	58.5	88.4	0	0	0	112.3	E37 P51 R53 Q58 Y138 I149 R150 A152	E37-W39 HydrophobicContact CB-CE3 4.2Å; E37-W39 HydrophobicContact CB-CZ3 3.77Å; W39-P51 HydrophobicContact CZ2-CB 4.08Å; W39-P51 WeakPolarHBondContact CZ2-O 3.11Å; W39-P51 PolarHBondContact NE1-O 3.33Å; W39-R53 HydrophobicContact CD2-CG 4.01Å; W39-R53 VanDerWaalsContact CE3-CZ 3.42Å; W39-R53 VanDerWaalsContact CE3-NH1 3.34Å; W39-R53 HydrophobicContact CG-CG 3.86Å; W39-R53 HydrophobicContact CZ2-CG 4.37Å; W39-Q58 VanDerWaalsContact CA-O 3.31Å; W39-Q58 WeakPolarHBondContact CA-O 3.27Å; W39-Q58 WeakPolarHBondContact CB-O 3.47Å; W39-Y138 HydrophobicContact CH2-CD1 4.48Å; W39-Y138 AromaticContact CH2-CE1 3.75Å; W39-Y138 HydrophobicContact CH2-CE1 3.75Å; W39-Y138 HydrophobicContact CZ2-CE1 4.02Å; W39-I149 CarbonylContact O-C 3.41Å; W39-I149 WeakPolarHBondContact O-CA 3.47Å; W39-R150 HydrophobicContact CD2-CB 4.42Å; W39-R150 HydrophobicContact CH2-CG 4.28Å; W39-R150 HydrophobicContact CZ2-CB 4.33Å; W39-R150 HydrophobicContact CZ2-CG 3.66Å; W39-R150 PolarHBondContact N-O 3.18Å; W39-R150 PolarHBondContact O-N 2.89Å; W39-A152 HydrophobicContact CH2-CB 3.69Å; W39-A152 HydrophobicContact CZ3-CB 3.68Å
40	Y	98.8	Very high	83.4	Confident	18 Å²	18	76.6 Å²	76.6	7%	0.071	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.4	169.9	-73.1	-78.5	0	0	0	111.5	Q58 V60 D143 R147 W148 I149	Y40-Q58 HydrophobicContact CD2-CB 4.04Å; Y40-Q58 HydrophobicContact CD2-CG 3.6Å; Y40-Q58 HydrophobicContact CE2-CG 4.19Å; Y40-Q58 PolarHBondContact N-O 3.19Å; Y40-V60 HydrophobicContact CD2-CG2 3.7Å; Y40-V60 HydrophobicContact CE2-CG2 3.45Å; Y40-V60 VanDerWaalsContact CE2-CG2 3.45Å; Y40-V60 HydrophobicContact CG-CG2 4.44Å; Y40-D143 HydrophobicContact CE1-CB 4.23Å; Y40-D143 WeakPolarHBondContact CE1-OD2 3.43Å; Y40-D143 PolarHBondContact OH-OD2 3.28Å; Y40-R147 HydrophobicContact CD1-CB 4.24Å; Y40-R147 HydrophobicContact CE1-CB 4.24Å; Y40-R147 VanDerWaalsContact CE1-CZ 3.49Å; Y40-R147 PolarHBondContact OH-NH2 3.31Å; Y40-R147 VanDerWaalsContact OH-NH2 3.07Å; Y40-W148 WeakPolarHBondContact CA-O 3.36Å; Y40-I149 HydrophobicContact CD1-CG1 3.8Å; Y40-I149 HydrophobicContact CE1-CD1 3.92Å; Y40-I149 HydrophobicContact CE1-CG1 3.45Å; Y40-I149 VanDerWaalsContact CE1-CG1 3.45Å
41	M	98.5	Very high	86.1	Confident	24 Å²	24	72.2 Å²	72.2	12%	0.118	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-85.5	148.7	-177.1	-62.8	-178.4	69.7	0	0	113	H52 L54 D140 W148 R150	M41-H52 CarbonylContact C-O 3.59Å; M41-H52 WeakPolarHBondContact CA-O 3.26Å; M41-H52 HydrophobicContact CB-CB 4.48Å; M41-H52 HydrophobicContact CE-CB 3.65Å; M41-L54 WeakPolarHBondContact O-CD2 3.46Å; M41-D140 HydrophobicContact SD-CB 4.26Å; M41-D140 VanDerWaalsContact SD-CG 3.57Å; M41-W148 HydrophobicContact CB-CB 4.11Å; M41-W148 HydrophobicContact CG-CB 4.1Å; M41-W148 PolarHBondContact N-O 3.13Å; M41-W148 VanDerWaalsContact N-O 3.08Å; M41-W148 HydrophobicContact SD-CB 3.75Å; M41-W148 HydrophobicContact SD-CG 4.38Å; M41-R150 VanDerWaalsContact CE-CZ 3.43Å; M41-R150 VanDerWaalsContact CE-NH2 3.31Å; M41-R150 HydrophobicContact CG-CB 3.72Å; M41-R150 HydrophobicContact SD-CB 3.96Å
42	D	97.3	Very high	89	Confident	52 Å²	52	66.5 Å²	66.5	28%	0.278	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-68.9	170.4	161.6	68.1	52.6	0	0	0	112.3	S44 H52 L54	D42-S44 VanDerWaalsContact OD1-CB 3.29Å; D42-S44 WeakPolarHBondContact OD1-CB 3.37Å; D42-S44 PolarHBondContact OD1-N 3.25Å; D42-S44 PolarHBondContact OD1-OG 2.97Å; D42-H52 PolarHBondContact N-O 3.21Å; D42-H52 IonicContact OD1-CG 2.81Å; D42-H52 IonicContact OD1-ND1 3.2Å; D42-H52 PolarHBondContact OD1-ND1 3.37Å; D42-H52 VanDerWaalsContact OD2-C 3.25Å; D42-H52 VanDerWaalsContact OD2-CA 3.23Å; D42-H52 WeakPolarHBondContact OD2-CA 3.46Å; D42-H52 IonicContact OD2-ND1 2.81Å; D42-L54 HydrophobicContact CB-CD2 4.23Å
43	G	94.2	Very high	91.9	Very high	88 Å²	88	62.5 Å²	62.5	91%	0.907	36%	0.355	S	S	*	.			trans	-99.6	19.8	178.4	0	0	0	0	0	114.1
44	S	95.7	Very high	94.3	Very high	50 Å²	50	59.2 Å²	59.2	35%	0.35	33%	0.327	S	S	.	.			trans	-73.4	155.4	-179.5	68.7	0	0	0	0	111.9	D42 E46 H52	D42-S44 VanDerWaalsContact OD1-CB 3.29Å; D42-S44 WeakPolarHBondContact OD1-CB 3.37Å; D42-S44 PolarHBondContact OD1-N 3.25Å; D42-S44 PolarHBondContact OD1-OG 2.97Å; S44-E46 VanDerWaalsContact C-N 3.34Å; S44-H52 PolarHBondContact OG-CE1 2.96Å; S44-H52 VanDerWaalsContact OG-CE1 3.24Å; S44-H52 PolarHBondContact OG-ND1 3.48Å
45	D	93.5	Very high	96.1	Very high	163 Å²	163	61.3 Å²	61.3	87%	0.872	34%	0.341	S	S	*	.			trans	-97.5	17.2	174.7	63.9	-22	0	0	0	112.4
46	E	97	Very high	97.1	Very high	111 Å²	111	64.9 Å²	64.9	52%	0.519	36%	0.357	S	S	.	.	S	Bend	trans	-63.5	172.5	173.5	-61.9	-164.9	172.1	0	0	111.7	S44 Q48 K50	S44-E46 VanDerWaalsContact C-N 3.34Å; E46-Q48 PolarHBondContact O-N 3.01Å; E46-K50 HydrophobicContact CB-CD 4.14Å; E46-K50 VanDerWaalsContact OE2-CD 3.29Å; E46-K50 WeakPolarHBondContact OE2-CD 3.48Å; E46-K50 IonicContact OE2-NZ 3.36Å; E46-K50 PolarHBondContact OE2-NZ 3.01Å
47	D	97.5	Very high	97.3	Very high	82 Å²	82	67.6 Å²	67.6	44%	0.439	37%	0.372	S	S	.	.			trans	-51.9	115.6	177.8	-173.8	-24.4	0	0	0	111.3	R49 K50 H52	D47-R49 PolarHBondContact O-N 2.91Å; D47-R49 VanDerWaalsContact OD1-CB 3.26Å; D47-R49 WeakPolarHBondContact OD1-CB 3.47Å; D47-R49 VanDerWaalsContact OD1-CG 3.27Å; D47-R49 WeakPolarHBondContact OD1-CG 3.3Å; D47-R49 PolarHBondContact OD1-N 3.38Å; D47-K50 HydrophobicContact CB-CD 4.41Å; D47-K50 HydrophobicContact CB-CG 4.38Å; D47-K50 VanDerWaalsContact O-CB 3.3Å; D47-K50 WeakPolarHBondContact O-CB 3.35Å; D47-K50 WeakPolarHBondContact O-CG 3.27Å; D47-K50 PolarHBondContact O-N 2.86Å; D47-H52 PolarHBondContact O-NE2 3.4Å
48	Q	97.3	Very high	97.3	Very high	55 Å²	55	67 Å²	67	26%	0.257	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-22.5	179.6	63.6	-178.4	65.4	0	0	115.1	E46 K50 Y119 R150 T170	E46-Q48 PolarHBondContact O-N 3.01Å; Q48-K50 VanDerWaalsContact C-N 3.31Å; Q48-Y119 HydrophobicContact CB-CE1 3.85Å; Q48-Y119 HydrophobicContact CB-CE2 3.78Å; Q48-Y119 VanDerWaalsContact CB-OH 3.24Å; Q48-Y119 WeakPolarHBondContact CB-OH 3.19Å; Q48-Y119 VanDerWaalsContact CD-CD1 3.46Å; Q48-Y119 HydrophobicContact CG-CE1 4.3Å; Q48-Y119 HydrophobicContact CG-CE2 4.26Å; Q48-Y119 VanDerWaalsContact NE2-CD2 3.29Å; Q48-R150 PolarHBondContact O-NH1 3.27Å; Q48-R150 PolarHBondContact O-NH2 2.85Å; Q48-R150 VanDerWaalsContact O-NH2 3.08Å; Q48-T170 PolarHBondContact NE2-OG1 3.48Å
49	R	98	Very high	97.3	Very high	45 Å²	45	70.7 Å²	70.7	17%	0.17	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.4	179.8	-60.9	-176.3	177.9	154.2	-4.2	113.1	D47 Y138 L171 D172 E173 N175	D47-R49 PolarHBondContact O-N 2.91Å; D47-R49 VanDerWaalsContact OD1-CB 3.26Å; D47-R49 WeakPolarHBondContact OD1-CB 3.47Å; D47-R49 VanDerWaalsContact OD1-CG 3.27Å; D47-R49 WeakPolarHBondContact OD1-CG 3.3Å; D47-R49 PolarHBondContact OD1-N 3.38Å; R49-Y138 WeakPolarHBondContact O-CE2 3.41Å; R49-L171 WeakPolarHBondContact CG-O 3.47Å; R49-D172 WeakPolarHBondContact O-CA 3.49Å; R49-E173 HydrophobicContact CB-CG 4.3Å; R49-E173 PolarHBondContact O-N 2.89Å; R49-N175 WeakPolarHBondContact CD-OD1 3.46Å; R49-N175 PolarHBondContact NE-OD1 3.1Å; R49-N175 VanDerWaalsContact NE-OD1 3.14Å; R49-N175 PolarHBondContact NH1-OD1 2.88Å
50	K	98.4	Very high	97.3	Very high	71 Å²	71	71 Å²	71	31%	0.309	40%	0.396	S	S	.	.	S	Bend	trans	-70.3	163.7	174	-71.9	176	168.3	-179.1	0	111.2	E46 D47 Q48 H52 R150	E46-K50 HydrophobicContact CB-CD 4.14Å; E46-K50 VanDerWaalsContact OE2-CD 3.29Å; E46-K50 WeakPolarHBondContact OE2-CD 3.48Å; E46-K50 IonicContact OE2-NZ 3.36Å; E46-K50 PolarHBondContact OE2-NZ 3.01Å; D47-K50 HydrophobicContact CB-CD 4.41Å; D47-K50 HydrophobicContact CB-CG 4.38Å; D47-K50 VanDerWaalsContact O-CB 3.3Å; D47-K50 WeakPolarHBondContact O-CB 3.35Å; D47-K50 WeakPolarHBondContact O-CG 3.27Å; D47-K50 PolarHBondContact O-N 2.86Å; Q48-K50 VanDerWaalsContact C-N 3.31Å; K50-H52 VanDerWaalsContact C-N 3.32Å; K50-H52 PolarHBondContact O-CD2 2.78Å; K50-H52 PolarHBondContact O-N 3.42Å; K50-R150 PolarHBondContact O-NH1 3.17Å
51	P	98.3	Very high	97.2	Very high	49 Å²	49	72.7 Å²	72.7	32%	0.318	41%	0.411	S	S	.	.			trans	-63.3	-29	-179.9	-27.5	36.7	0	0	0	115.7	W39 R53 R150	W39-P51 HydrophobicContact CZ2-CB 4.08Å; W39-P51 WeakPolarHBondContact CZ2-O 3.11Å; W39-P51 PolarHBondContact NE1-O 3.33Å; P51-R53 VanDerWaalsContact C-N 3.31Å; P51-R53 HydrophobicContact CB-CG 4.28Å; P51-R53 PolarHBondContact O-N 3.23Å; P51-R150 WeakPolarHBondContact O-CD 3.48Å
52	H	98.5	Very high	97.1	Very high	14 Å²	14	74.8 Å²	74.8	7%	0.065	42%	0.422	C	S	.	.			trans	50.9	42.3	-177.9	-72.8	-84.5	0	0	0	114.6	M41 D42 S44 D47 K50	M41-H52 CarbonylContact C-O 3.59Å; M41-H52 WeakPolarHBondContact CA-O 3.26Å; M41-H52 HydrophobicContact CB-CB 4.48Å; M41-H52 HydrophobicContact CE-CB 3.65Å; D42-H52 PolarHBondContact N-O 3.21Å; D42-H52 IonicContact OD1-CG 2.81Å; D42-H52 IonicContact OD1-ND1 3.2Å; D42-H52 PolarHBondContact OD1-ND1 3.37Å; D42-H52 VanDerWaalsContact OD2-C 3.25Å; D42-H52 VanDerWaalsContact OD2-CA 3.23Å; D42-H52 WeakPolarHBondContact OD2-CA 3.46Å; D42-H52 IonicContact OD2-ND1 2.81Å; S44-H52 PolarHBondContact OG-CE1 2.96Å; S44-H52 VanDerWaalsContact OG-CE1 3.24Å; S44-H52 PolarHBondContact OG-ND1 3.48Å; D47-H52 PolarHBondContact O-NE2 3.4Å; K50-H52 VanDerWaalsContact C-N 3.32Å; K50-H52 PolarHBondContact O-CD2 2.78Å; K50-H52 PolarHBondContact O-N 3.42Å
53	R	98.1	Very high	97.1	Very high	84 Å²	84	76.7 Å²	76.7	32%	0.317	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-77	138.9	178.3	-69.8	177.6	-176.8	-97.1	11	110.3	E37 W39 P51 N57	E37-R53 IonicContact OE1-CZ 3.02Å; E37-R53 IonicContact OE1-NH2 3.22Å; E37-R53 PolarHBondContact OE1-NH2 2.75Å; W39-R53 HydrophobicContact CD2-CG 4.01Å; W39-R53 VanDerWaalsContact CE3-CZ 3.42Å; W39-R53 VanDerWaalsContact CE3-NH1 3.34Å; W39-R53 HydrophobicContact CG-CG 3.86Å; W39-R53 HydrophobicContact CZ2-CG 4.37Å; P51-R53 VanDerWaalsContact C-N 3.31Å; P51-R53 HydrophobicContact CB-CG 4.28Å; P51-R53 PolarHBondContact O-N 3.23Å; R53-N57 PolarHBondContact NH1-OD1 3.35Å; R53-N57 VanDerWaalsContact NH1-OD1 3.14Å
54	L	97.5	Very high	97.2	Very high	56 Å²	56	76 Å²	76	29%	0.293	41%	0.406	S	S	.	.			trans	-55.2	154.6	164.6	-68.8	174.6	0	0	0	111.6	M41 D42 P56 N57 Q58	M41-L54 WeakPolarHBondContact O-CD2 3.46Å; D42-L54 HydrophobicContact CB-CD2 4.23Å; L54-P56 VanDerWaalsContact C-C 3.5Å; L54-P56 CarbonylContact C-O 3.49Å; L54-P56 VanDerWaalsContact C-O 3.31Å; L54-P56 WeakPolarHBondContact CB-O 3.41Å; L54-P56 CarbonylContact O-C 3.38Å; L54-N57 WeakPolarHBondContact O-CA 3.5Å; L54-N57 PolarHBondContact O-N 2.78Å; L54-Q58 HydrophobicContact CD1-CB 4.09Å
55	N	95.3	Very high	97.3	Very high	163 Å²	163	73.8 Å²	73.8	87%	0.872	39%	0.39	S	S	*	.	S	Bend	trans	-124.3	106.1	171.4	-173.6	18.4	0	0	0	109.8
56	P	97	Very high	97.5	Very high	113 Å²	113	72.3 Å²	72.3	73%	0.734	37%	0.372	S	S	*	.	S	Bend	cis	-70.3	153.3	3.7	30.7	-36.1	0	0	0	113.5	L54 Q58	L54-P56 VanDerWaalsContact C-C 3.5Å; L54-P56 CarbonylContact C-O 3.49Å; L54-P56 VanDerWaalsContact C-O 3.31Å; L54-P56 WeakPolarHBondContact CB-O 3.41Å; L54-P56 CarbonylContact O-C 3.38Å; P56-Q58 PolarHBondContact O-N 2.81Å
57	N	97.8	Very high	97.5	Very high	77 Å²	77	72 Å²	72	41%	0.412	37%	0.369	S	S	.	.			trans	-63	134.1	179.6	174.2	75.2	0	0	0	111.3	R53 L54	R53-N57 PolarHBondContact NH1-OD1 3.35Å; R53-N57 VanDerWaalsContact NH1-OD1 3.14Å; L54-N57 WeakPolarHBondContact O-CA 3.5Å; L54-N57 PolarHBondContact O-N 2.78Å
58	Q	98.3	Very high	97.5	Very high	83 Å²	83	68.6 Å²	68.6	39%	0.388	35%	0.351	S	S	.	.			trans	-114.9	96.1	174.2	-168.9	-177.6	-13.3	0	0	109.2	W39 Y40 L54 P56	W39-Q58 VanDerWaalsContact CA-O 3.31Å; W39-Q58 WeakPolarHBondContact CA-O 3.27Å; W39-Q58 WeakPolarHBondContact CB-O 3.47Å; Y40-Q58 HydrophobicContact CD2-CB 4.04Å; Y40-Q58 HydrophobicContact CD2-CG 3.6Å; Y40-Q58 HydrophobicContact CE2-CG 4.19Å; Y40-Q58 PolarHBondContact N-O 3.19Å; L54-Q58 HydrophobicContact CD1-CB 4.09Å; P56-Q58 PolarHBondContact O-N 2.81Å
59	S	98	Very high	97.5	Very high	83 Å²	83	66.9 Å²	66.9	58%	0.58	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-71.4	151.7	177.8	54.2	0	0	0	0	112.1	A38	A38-S59 CarbonylContact O-C 3.6Å; A38-S59 WeakPolarHBondContact O-CA 3.46Å
60	V	98.2	Very high	97.5	Very high	9 Å²	9	65 Å²	65	6%	0.055	34%	0.341	C	S	.	.			trans	-115.9	129.8	173.2	-179.3	0	0	0	0	108.9	A38 Y40 E64 L65 I149	A38-V60 HydrophobicContact CB-CB 4.04Å; A38-V60 PolarHBondContact O-N 3.26Å; Y40-V60 HydrophobicContact CD2-CG2 3.7Å; Y40-V60 HydrophobicContact CE2-CG2 3.45Å; Y40-V60 VanDerWaalsContact CE2-CG2 3.45Å; Y40-V60 HydrophobicContact CG-CG2 4.44Å; V60-E64 HydrophobicContact CG1-CB 3.65Å; V60-L65 HydrophobicContact CG1-CD2 3.99Å; V60-L65 HydrophobicContact CG1-CG 4.04Å; V60-I149 HydrophobicContact CB-CG2 4.06Å; V60-I149 HydrophobicContact CG1-CD1 4.17Å; V60-I149 HydrophobicContact CG1-CG2 4.27Å; V60-I149 HydrophobicContact CG2-CD1 4.07Å; V60-I149 HydrophobicContact CG2-CG1 4.01Å; V60-I149 HydrophobicContact CG2-CG2 3.79Å
61	S	97.3	Very high	97.5	Very high	54 Å²	54	66 Å²	66	38%	0.378	35%	0.346	S	S	.	.			trans	-81.6	160.7	179	65.7	0	0	0	0	112.8	D63 E64 L65	S61-D63 PolarHBondContact O-N 3.23Å; S61-E64 WeakPolarHBondContact CB-OE2 3.18Å; S61-E64 PolarHBondContact N-OE2 2.94Å; S61-E64 PolarHBondContact O-N 2.74Å; S61-E64 VanDerWaalsContact O-N 3.14Å; S61-E64 WeakPolarHBondContact OG-CG 3.33Å; S61-E64 PolarHBondContact OG-N 2.68Å; S61-E64 PolarHBondContact OG-OE2 3.31Å; S61-L65 PolarHBondContact O-N 2.97Å
62	L	96.4	Very high	97.4	Very high	69 Å²	69	65.8 Å²	65.8	36%	0.361	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-32.2	172.8	-72.9	176.7	0	0	0	113	L36 L65 R66 Y72	L36-L62 HydrophobicContact CB-CD2 3.94Å; L36-L62 HydrophobicContact CD2-CD2 3.62Å; L36-L62 HydrophobicContact CG-CD2 4.42Å; L62-L65 HydrophobicContact CD2-CD1 4.4Å; L62-L65 PolarHBondContact O-N 2.87Å; L62-R66 WeakPolarHBondContact O-CB 3.39Å; L62-R66 PolarHBondContact O-N 2.93Å; L62-Y72 HydrophobicContact CD1-CD1 3.99Å; L62-Y72 HydrophobicContact CD1-CE1 4.33Å; L62-Y72 HydrophobicContact CD2-CD1 3.76Å; L62-Y72 HydrophobicContact CD2-CG 4Å
63	D	96.3	Very high	97.4	Very high	91 Å²	91	68 Å²	68	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-71.6	-34.2	177.9	-72.7	-23.4	0	0	0	111.7	S61 R66 K67	S61-D63 PolarHBondContact O-N 3.23Å; D63-R66 PolarHBondContact O-N 3.02Å; D63-R66 IonicContact OD1-CZ 2.8Å; D63-R66 IonicContact OD1-NH1 3.52Å; D63-R66 PolarHBondContact OD1-NH1 3.37Å; D63-R66 IonicContact OD1-NH2 3.66Å; D63-R66 PolarHBondContact OD1-NH2 2.92Å; D63-K67 WeakPolarHBondContact O-CG 3.37Å; D63-K67 PolarHBondContact O-N 3.07Å
64	E	96.8	Very high	97.4	Very high	74 Å²	74	68.3 Å²	68.3	35%	0.346	35%	0.351	S	S	.	.	H	α-helix	trans	-67.6	-43.1	171.6	-72.8	165.4	112.4	0	0	111.5	V60 S61 R66 K67 L68	V60-E64 HydrophobicContact CG1-CB 3.65Å; S61-E64 WeakPolarHBondContact CB-OE2 3.18Å; S61-E64 PolarHBondContact N-OE2 2.94Å; S61-E64 PolarHBondContact O-N 2.74Å; S61-E64 VanDerWaalsContact O-N 3.14Å; S61-E64 WeakPolarHBondContact OG-CG 3.33Å; S61-E64 PolarHBondContact OG-N 2.68Å; S61-E64 PolarHBondContact OG-OE2 3.31Å; E64-R66 VanDerWaalsContact C-N 3.31Å; E64-R66 PolarHBondContact O-N 2.92Å; E64-K67 WeakPolarHBondContact O-CB 3.39Å; E64-K67 PolarHBondContact O-N 3.16Å; E64-L68 PolarHBondContact O-N 2.93Å
65	L	98	Very high	97.4	Very high	3 Å²	3	66.7 Å²	66.7	2%	0.016	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-40.7	173.1	-68.5	-180	0	0	0	111.8	L36 A38 V60 S61 L62 K67 L68 G69 V70 I149 I151	L36-L65 HydrophobicContact CD2-CD1 3.87Å; A38-L65 HydrophobicContact CB-CD1 4Å; V60-L65 HydrophobicContact CG1-CD2 3.99Å; V60-L65 HydrophobicContact CG1-CG 4.04Å; S61-L65 PolarHBondContact O-N 2.97Å; L62-L65 HydrophobicContact CD2-CD1 4.4Å; L62-L65 PolarHBondContact O-N 2.87Å; L65-K67 VanDerWaalsContact C-N 3.28Å; L65-K67 PolarHBondContact O-N 2.62Å; L65-L68 CarbonylContact O-C 3.49Å; L65-L68 WeakPolarHBondContact O-CA 3.29Å; L65-L68 WeakPolarHBondContact O-CB 3.34Å; L65-L68 PolarHBondContact O-N 3.24Å; L65-G69 PolarHBondContact O-N 3.06Å; L65-V70 CarbonylContact C-O 3.54Å; L65-V70 HydrophobicContact CB-CB 4.13Å; L65-V70 HydrophobicContact CB-CG1 4.32Å; L65-V70 WeakPolarHBondContact O-CB 3.45Å; L65-V70 PolarHBondContact O-N 2.87Å; L65-I149 HydrophobicContact CD2-CG2 4.13Å; L65-I151 HydrophobicContact CD1-CD1 4.17Å; L65-I151 HydrophobicContact CD1-CG1 4.35Å; L65-I151 HydrophobicContact CD2-CD1 3.85Å; L65-I151 HydrophobicContact CD2-CG1 4.18Å
66	R	96.9	Very high	97.4	Very high	132 Å²	132	63.2 Å²	63.2	50%	0.498	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-35	176.7	-166.7	-175.5	-59.9	125.1	10.1	112.4	L62 D63 E64 L68 G69 V70 F71	L62-R66 WeakPolarHBondContact O-CB 3.39Å; L62-R66 PolarHBondContact O-N 2.93Å; D63-R66 PolarHBondContact O-N 3.02Å; D63-R66 IonicContact OD1-CZ 2.8Å; D63-R66 IonicContact OD1-NH1 3.52Å; D63-R66 PolarHBondContact OD1-NH1 3.37Å; D63-R66 IonicContact OD1-NH2 3.66Å; D63-R66 PolarHBondContact OD1-NH2 2.92Å; E64-R66 VanDerWaalsContact C-N 3.31Å; E64-R66 PolarHBondContact O-N 2.92Å; R66-L68 PolarHBondContact O-N 3.46Å; R66-G69 WeakPolarHBondContact O-CA 3.45Å; R66-G69 PolarHBondContact O-N 2.95Å; R66-V70 WeakPolarHBondContact CA-O 3.4Å; R66-F71 HydrophobicContact CG-CD1 4.28Å; R66-F71 HydrophobicContact CG-CE1 3.77Å; R66-F71 HydrophobicContact CG-CZ 4.42Å
67	K	97	Very high	97.4	Very high	106 Å²	106	58.1 Å²	58.1	46%	0.461	29%	0.291	S	S	.	.	H	α-helix	trans	-65.2	-21.7	174.9	-69.2	170.5	-175.5	175.8	0	113	D63 E64 L65 G69 L209 S212	D63-K67 WeakPolarHBondContact O-CG 3.37Å; D63-K67 PolarHBondContact O-N 3.07Å; E64-K67 WeakPolarHBondContact O-CB 3.39Å; E64-K67 PolarHBondContact O-N 3.16Å; L65-K67 VanDerWaalsContact C-N 3.28Å; L65-K67 PolarHBondContact O-N 2.62Å; K67-G69 VanDerWaalsContact C-N 3.32Å; K67-L209 WeakPolarHBondContact O-CD2 3.49Å; K67-S212 PolarHBondContact O-OG 2.94Å
68	L	98.1	Very high	97.4	Very high	9 Å²	9	60.4 Å²	60.4	5%	0.047	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.5	172	-55.1	176.9	0	0	0	112.9	E64 L65 R66 V70 V141 D143 K144 I149 P162 Y205	E64-L68 PolarHBondContact O-N 2.93Å; L65-L68 CarbonylContact O-C 3.49Å; L65-L68 WeakPolarHBondContact O-CA 3.29Å; L65-L68 WeakPolarHBondContact O-CB 3.34Å; L65-L68 PolarHBondContact O-N 3.24Å; R66-L68 PolarHBondContact O-N 3.46Å; L68-V70 VanDerWaalsContact C-N 3.29Å; L68-V70 HydrophobicContact CB-CG2 4.37Å; L68-V141 HydrophobicContact CD1-CG2 4.42Å; L68-D143 HydrophobicContact CD1-CB 4.5Å; L68-K144 HydrophobicContact CD2-CG 3.99Å; L68-I149 HydrophobicContact CD1-CD1 3.8Å; L68-P162 WeakPolarHBondContact O-CG 3.33Å; L68-Y205 VanDerWaalsContact O-CE2 3.3Å; L68-Y205 WeakPolarHBondContact O-CE2 3.33Å; L68-Y205 PolarHBondContact O-OH 3.46Å
69	G	97.4	Very high	97.4	Very high	20 Å²	20	57.7 Å²	57.7	21%	0.206	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	9	-174.9	0	0	0	0	0	114.3	L65 R66 K67 F71 P162	L65-G69 PolarHBondContact O-N 3.06Å; R66-G69 WeakPolarHBondContact O-CA 3.45Å; R66-G69 PolarHBondContact O-N 2.95Å; K67-G69 VanDerWaalsContact C-N 3.32Å; G69-F71 VanDerWaalsContact O-CD2 3.23Å; G69-F71 WeakPolarHBondContact O-CD2 3.36Å; G69-F71 WeakPolarHBondContact O-CE2 3.49Å; G69-P162 WeakPolarHBondContact O-CD 3.28Å; G69-P162 WeakPolarHBondContact O-CG 3.43Å
70	V	98.3	Very high	97.3	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.03	28%	0.275	C	S	.	.			trans	-83	121.5	177.1	176.8	0	0	0	0	109.5	L65 R66 L68 I151 I159 T160 L161 I165	L65-V70 CarbonylContact C-O 3.54Å; L65-V70 HydrophobicContact CB-CB 4.13Å; L65-V70 HydrophobicContact CB-CG1 4.32Å; L65-V70 WeakPolarHBondContact O-CB 3.45Å; L65-V70 PolarHBondContact O-N 2.87Å; R66-V70 WeakPolarHBondContact CA-O 3.4Å; L68-V70 VanDerWaalsContact C-N 3.29Å; L68-V70 HydrophobicContact CB-CG2 4.37Å; V70-I151 HydrophobicContact CG1-CD1 4.17Å; V70-I159 HydrophobicContact CG1-CD1 3.73Å; V70-I159 HydrophobicContact CG1-CG1 3.81Å; V70-T160 WeakPolarHBondContact CA-O 3.42Å; V70-L161 HydrophobicContact CG1-CD2 3.96Å; V70-L161 HydrophobicContact CG2-CD2 3.92Å; V70-I165 HydrophobicContact CG2-CD1 3.86Å
71	F	97.1	Very high	97.2	Very high	91 Å²	91	63 Å²	63	40%	0.399	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150	179.3	-64.8	-81.6	0	0	0	111.7	R66 G69 W73 I159 T160	R66-F71 HydrophobicContact CG-CD1 4.28Å; R66-F71 HydrophobicContact CG-CE1 3.77Å; R66-F71 HydrophobicContact CG-CZ 4.42Å; G69-F71 VanDerWaalsContact O-CD2 3.23Å; G69-F71 WeakPolarHBondContact O-CD2 3.36Å; G69-F71 WeakPolarHBondContact O-CE2 3.49Å; F71-W73 HydrophobicContact CB-CE3 4.47Å; F71-W73 HydrophobicContact CB-CH2 3.42Å; F71-W73 VanDerWaalsContact CB-CH2 3.42Å; F71-W73 HydrophobicContact CB-CZ2 4.28Å; F71-W73 HydrophobicContact CB-CZ3 3.53Å; F71-W73 HydrophobicContact CG-CH2 4.27Å; F71-I159 CarbonylContact O-C 3.54Å; F71-I159 WeakPolarHBondContact O-CA 3.17Å; F71-I159 WeakPolarHBondContact O-CG1 3.39Å; F71-T160 PolarHBondContact N-O 3.27Å; F71-T160 VanDerWaalsContact N-O 3.09Å; F71-T160 PolarHBondContact O-N 2.71Å
72	Y	98	Very high	97.1	Very high	45 Å²	45	65.9 Å²	65.9	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.5	-172.9	164.9	-97.7	0	0	0	112	L36 L62 K74 D157 L158	L36-Y72 HydrophobicContact CB-CD1 4.38Å; L36-Y72 HydrophobicContact CB-CD2 4.18Å; L36-Y72 HydrophobicContact CB-CE1 4.13Å; L36-Y72 HydrophobicContact CB-CE2 3.92Å; L36-Y72 HydrophobicContact CB-CG 4.38Å; L36-Y72 HydrophobicContact CD1-CD2 3.96Å; L36-Y72 HydrophobicContact CD1-CE2 3.8Å; L36-Y72 HydrophobicContact CD2-CD2 3.81Å; L36-Y72 HydrophobicContact CD2-CE2 4.34Å; L36-Y72 HydrophobicContact CD2-CG 3.94Å; L36-Y72 HydrophobicContact CG-CD2 4.21Å; L36-Y72 HydrophobicContact CG-CE2 4.24Å; L62-Y72 HydrophobicContact CD1-CD1 3.99Å; L62-Y72 HydrophobicContact CD1-CE1 4.33Å; L62-Y72 HydrophobicContact CD2-CD1 3.76Å; L62-Y72 HydrophobicContact CD2-CG 4Å; Y72-K74 HydrophobicContact CE1-CB 4.44Å; Y72-D157 HydrophobicContact CE2-CB 3.84Å; Y72-D157 PolarHBondContact OH-OD1 3.49Å; Y72-L158 CarbonylContact C-O 3.15Å; Y72-L158 VanDerWaalsContact CA-O 3.3Å; Y72-L158 WeakPolarHBondContact CA-O 3.37Å; Y72-L158 WeakPolarHBondContact CD2-O 3.42Å
73	W	97.6	Very high	97.1	Very high	61 Å²	61	63.5 Å²	63.5	23%	0.231	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.8	171.5	-60.4	-100.9	0	0	0	110.6	F71 I89 L158	F71-W73 HydrophobicContact CB-CE3 4.47Å; F71-W73 HydrophobicContact CB-CH2 3.42Å; F71-W73 VanDerWaalsContact CB-CH2 3.42Å; F71-W73 HydrophobicContact CB-CZ2 4.28Å; F71-W73 HydrophobicContact CB-CZ3 3.53Å; F71-W73 HydrophobicContact CG-CH2 4.27Å; W73-I89 HydrophobicContact CB-CD1 3.93Å; W73-I89 VanDerWaalsContact CD1-CD1 3.5Å; W73-I89 HydrophobicContact CD2-CD1 4.31Å; W73-I89 HydrophobicContact CG-CD1 3.66Å; W73-I89 HydrophobicContact CG-CG1 4.43Å; W73-L158 HydrophobicContact CB-CB 4.36Å; W73-L158 HydrophobicContact CD2-CD2 4.18Å; W73-L158 HydrophobicContact CE3-CD2 3.31Å; W73-L158 HydrophobicContact CZ3-CD2 3.72Å; W73-L158 PolarHBondContact N-O 3.31Å; W73-L158 PolarHBondContact O-N 2.91Å
74	K	97.4	Very high	97.2	Very high	90 Å²	90	63.6 Å²	63.6	39%	0.391	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.2	169.6	-171.1	62.1	170	-179.8	0	109.6	Y72 K155 D157	Y72-K74 HydrophobicContact CE1-CB 4.44Å; K74-K155 PolarHBondContact NZ-O 3.14Å; K74-D157 WeakPolarHBondContact CD-OD1 3.22Å; K74-D157 IonicContact NZ-OD1 2.67Å; K74-D157 PolarHBondContact NZ-OD1 2.87Å
75	L	97.4	Very high	97.2	Very high	23 Å²	23	64.8 Å²	64.8	12%	0.12	32%	0.324	C	S	.	.			trans	-132.6	167.3	-175.5	-63.6	175.6	0	0	0	111.5	A77 E85 L86 I89 Y131 G156 L158	L75-A77 PolarHBondContact O-N 3.35Å; L75-E85 HydrophobicContact CD2-CB 3.76Å; L75-L86 HydrophobicContact CD1-CB 4.16Å; L75-L86 HydrophobicContact CD1-CD1 3.94Å; L75-I89 HydrophobicContact CD1-CD1 4.06Å; L75-I89 HydrophobicContact CD2-CD1 3.87Å; L75-I89 HydrophobicContact CG-CD1 4.37Å; L75-Y131 HydrophobicContact CB-CE2 3.81Å; L75-Y131 VanDerWaalsContact CB-OH 3.24Å; L75-Y131 WeakPolarHBondContact CB-OH 3.25Å; L75-Y131 HydrophobicContact CD1-CE1 4.48Å; L75-Y131 HydrophobicContact CD1-CE2 4.14Å; L75-G156 PolarHBondContact N-O 2.64Å; L75-G156 VanDerWaalsContact O-CA 3.26Å; L75-G156 WeakPolarHBondContact O-CA 3.47Å; L75-L158 HydrophobicContact CD1-CB 4.24Å; L75-L158 HydrophobicContact CD1-CD1 3.83Å
76	N	96.6	Very high	97.2	Very high	90 Å²	90	64.8 Å²	64.8	48%	0.481	32%	0.324	S	S	.	.			trans	-89.5	96	174.1	-178.5	8	0	0	0	111	D78 A79 Y131	N76-D78 PolarHBondContact O-N 3.01Å; N76-D78 PolarHBondContact OD1-N 3.43Å; N76-A79 HydrophobicContact CB-CB 4.36Å; N76-A79 PolarHBondContact O-N 3.31Å; N76-Y131 PolarHBondContact O-OH 2.95Å
77	A	97.6	Very high	97.3	Very high	5 Å²	5	66.1 Å²	66.1	4%	0.041	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-59.3	-28.9	-178.9	0	0	0	0	0	114.3	L75 A79 H80 Y131 K155	L75-A77 PolarHBondContact O-N 3.35Å; A77-A79 PolarHBondContact O-N 3.36Å; A77-H80 WeakPolarHBondContact O-CB 3.3Å; A77-H80 PolarHBondContact O-N 2.97Å; A77-H80 PolarHBondContact O-ND1 3.21Å; A77-Y131 WeakPolarHBondContact CA-OH 3.34Å; A77-Y131 PolarHBondContact N-OH 2.83Å; A77-K155 HydrophobicContact CB-CD 4.43Å; A77-K155 HydrophobicContact CB-CG 3.71Å
78	D	97.3	Very high	97.3	Very high	126 Å²	126	65.8 Å²	65.8	67%	0.674	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-68.3	-21.7	177.8	-64.5	-45.7	0	0	0	112.2	N76 K155	N76-D78 PolarHBondContact O-N 3.01Å; N76-D78 PolarHBondContact OD1-N 3.43Å; D78-K155 WeakPolarHBondContact OD1-CE 3.4Å; D78-K155 IonicContact OD1-NZ 3.46Å; D78-K155 PolarHBondContact OD1-NZ 3.22Å; D78-K155 IonicContact OD2-NZ 3.79Å; D78-K155 PolarHBondContact OD2-NZ 2.84Å
79	A	96.8	Very high	97.3	Very high	26 Å²	26	65.7 Å²	65.7	22%	0.215	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-103.8	10.8	179.4	0	0	0	0	0	113.5	N76 A77 E81 T82 D83	N76-A79 HydrophobicContact CB-CB 4.36Å; N76-A79 PolarHBondContact O-N 3.31Å; A77-A79 PolarHBondContact O-N 3.36Å; A79-E81 PolarHBondContact O-N 3.01Å; A79-T82 CarbonylContact O-C 3.5Å; A79-T82 PolarHBondContact O-N 3.27Å; A79-T82 PolarHBondContact O-OG1 3.45Å; A79-D83 HydrophobicContact CB-CB 4.41Å; A79-D83 WeakPolarHBondContact O-CB 3.28Å; A79-D83 PolarHBondContact O-N 3.26Å
80	H	96.4	Very high	97.3	Very high	37 Å²	37	67.8 Å²	67.8	17%	0.171	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-27.2	-168.9	70.8	-80.7	0	0	0	115.5	A77 L86 Y131 L133 M180	A77-H80 WeakPolarHBondContact O-CB 3.3Å; A77-H80 PolarHBondContact O-N 2.97Å; A77-H80 PolarHBondContact O-ND1 3.21Å; H80-L86 HydrophobicContact CB-CD2 4.49Å; H80-L86 WeakPolarHBondContact O-CD2 3.43Å; H80-Y131 HydrophobicContact CB-CE1 3.77Å; H80-L133 HydrophobicContact CB-CD2 3.72Å; H80-M180 HydrophobicContact CB-CE 4.29Å
81	E	95.6	Very high	97.3	Very high	166 Å²	166	76.2 Å²	76.2	78%	0.776	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-29.1	176.3	-62	-175.3	-178.1	0	0	113.2	A79	A79-E81 PolarHBondContact O-N 3.01Å
82	T	96.4	Very high	97.3	Very high	115 Å²	115	77.8 Å²	77.8	71%	0.706	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	0.6	-172.3	58.1	0	0	0	0	114.1	A79 P84	A79-T82 CarbonylContact O-C 3.5Å; A79-T82 PolarHBondContact O-N 3.27Å; A79-T82 PolarHBondContact O-OG1 3.45Å; T82-P84 VanDerWaalsContact O-CD 3.28Å; T82-P84 WeakPolarHBondContact O-CD 3.36Å
83	D	97.1	Very high	97.1	Very high	18 Å²	18	79.9 Å²	79.9	10%	0.096	39%	0.389	C	S	.	.			trans	-64.1	113.8	-172.9	-175.6	-3.5	0	0	0	111.4	A79 E85 L86 K87	A79-D83 HydrophobicContact CB-CB 4.41Å; A79-D83 WeakPolarHBondContact O-CB 3.28Å; A79-D83 PolarHBondContact O-N 3.26Å; D83-E85 VanDerWaalsContact C-N 3.26Å; D83-E85 PolarHBondContact O-N 3.42Å; D83-E85 WeakPolarHBondContact OD1-CB 3.41Å; D83-E85 PolarHBondContact OD1-N 3.05Å; D83-L86 HydrophobicContact CB-CB 3.93Å; D83-L86 PolarHBondContact O-N 3.43Å; D83-K87 PolarHBondContact O-N 3.24Å; D83-K87 VanDerWaalsContact O-N 3.08Å
84	P	97.4	Very high	97.1	Very high	94 Å²	94	78.7 Å²	78.7	61%	0.61	40%	0.397	S	S	*	.	H	α-helix	trans	-65.1	-28.8	178.5	27.4	-34.6	0	0	0	112.9	T82 K87 K88	T82-P84 VanDerWaalsContact O-CD 3.28Å; T82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-K87 PolarHBondContact O-N 3.4Å; P84-K88 WeakPolarHBondContact O-CB 3.37Å; P84-K88 PolarHBondContact O-N 3.42Å
85	E	97.6	Very high	97	Very high	98 Å²	98	74.7 Å²	74.7	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-72.4	-43.1	178.1	-70.4	-58.2	121.1	0	0	110.8	L75 D83 K87 K88 I89	L75-E85 HydrophobicContact CD2-CB 3.76Å; D83-E85 VanDerWaalsContact C-N 3.26Å; D83-E85 PolarHBondContact O-N 3.42Å; D83-E85 WeakPolarHBondContact OD1-CB 3.41Å; D83-E85 PolarHBondContact OD1-N 3.05Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 2.83Å; E85-K88 WeakPolarHBondContact O-CB 3.18Å; E85-K88 PolarHBondContact O-N 2.85Å; E85-I89 WeakPolarHBondContact O-CG1 3.26Å; E85-I89 PolarHBondContact O-N 2.96Å
86	L	97.9	Very high	96.9	Very high	4 Å²	4	77.6 Å²	77.6	2%	0.021	40%	0.401	C	S	.	.	H	α-helix	trans	-57.5	-45.8	171.1	179.7	60.1	0	0	0	110.9	L75 H80 D83 K88 I89 R90 Y131 L158 M180 L182	L75-L86 HydrophobicContact CD1-CB 4.16Å; L75-L86 HydrophobicContact CD1-CD1 3.94Å; H80-L86 HydrophobicContact CB-CD2 4.49Å; H80-L86 WeakPolarHBondContact O-CD2 3.43Å; D83-L86 HydrophobicContact CB-CB 3.93Å; D83-L86 PolarHBondContact O-N 3.43Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.49Å; L86-I89 PolarHBondContact O-N 2.73Å; L86-R90 HydrophobicContact CD1-CG 4.15Å; L86-R90 HydrophobicContact CG-CG 4.39Å; L86-R90 WeakPolarHBondContact O-CB 3.37Å; L86-R90 VanDerWaalsContact O-CG 3.25Å; L86-R90 WeakPolarHBondContact O-CG 3.08Å; L86-R90 PolarHBondContact O-N 3.01Å; L86-Y131 HydrophobicContact CD1-CD1 4.43Å; L86-Y131 HydrophobicContact CD2-CD1 4.26Å; L86-Y131 HydrophobicContact CD2-CE1 4.08Å; L86-L158 HydrophobicContact CD1-CD1 3.79Å; L86-M180 HydrophobicContact CD2-CE 4.2Å; L86-M180 HydrophobicContact CD2-SD 4.09Å; L86-L182 HydrophobicContact CD1-CD2 4.41Å
87	K	97.6	Very high	96.9	Very high	159 Å²	159	76.9 Å²	76.9	69%	0.691	39%	0.392	S	S	*	.	H	α-helix	trans	-59.8	-40.3	177.5	-176.3	176.1	-179.3	176	0	112.1	D83 P84 E85 K91	D83-K87 PolarHBondContact O-N 3.24Å; D83-K87 VanDerWaalsContact O-N 3.08Å; P84-K87 PolarHBondContact O-N 3.4Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 PolarHBondContact O-N 2.83Å; K87-K91 WeakPolarHBondContact O-CB 3.38Å; K87-K91 PolarHBondContact O-N 2.63Å
88	K	98.1	Very high	96.9	Very high	99 Å²	99	80.7 Å²	80.7	43%	0.43	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-50.5	176.7	179.8	-176	168.7	-165.4	0	111.3	P84 E85 L86 R90 K91 E92	P84-K88 WeakPolarHBondContact O-CB 3.37Å; P84-K88 PolarHBondContact O-N 3.42Å; E85-K88 WeakPolarHBondContact O-CB 3.18Å; E85-K88 PolarHBondContact O-N 2.85Å; L86-K88 VanDerWaalsContact C-N 3.29Å; L86-K88 PolarHBondContact O-N 3.49Å; K88-R90 VanDerWaalsContact C-N 3.32Å; K88-R90 PolarHBondContact O-N 3.09Å; K88-K91 PolarHBondContact O-N 3.26Å; K88-K91 VanDerWaalsContact O-N 3.11Å; K88-E92 WeakPolarHBondContact CE-OE1 3.44Å; K88-E92 HydrophobicContact CG-CG 4.45Å; K88-E92 WeakPolarHBondContact CG-OE1 3.42Å; K88-E92 WeakPolarHBondContact O-CG 3.32Å; K88-E92 PolarHBondContact O-N 3.37Å
89	I	97.7	Very high	96.9	Very high	8 Å²	8	76.5 Å²	76.5	4%	0.041	39%	0.388	C	S	.	.	H	α-helix	trans	-56.6	-48.3	177.4	-68.3	163.1	0	0	0	110.2	W73 L75 E85 L86 K91 E92 Q93 Y95	W73-I89 HydrophobicContact CB-CD1 3.93Å; W73-I89 VanDerWaalsContact CD1-CD1 3.5Å; W73-I89 HydrophobicContact CD2-CD1 4.31Å; W73-I89 HydrophobicContact CG-CD1 3.66Å; W73-I89 HydrophobicContact CG-CG1 4.43Å; L75-I89 HydrophobicContact CD1-CD1 4.06Å; L75-I89 HydrophobicContact CD2-CD1 3.87Å; L75-I89 HydrophobicContact CG-CD1 4.37Å; E85-I89 WeakPolarHBondContact O-CG1 3.26Å; E85-I89 PolarHBondContact O-N 2.96Å; L86-I89 PolarHBondContact O-N 2.73Å; I89-K91 VanDerWaalsContact C-N 3.29Å; I89-K91 PolarHBondContact O-N 3.01Å; I89-E92 PolarHBondContact O-N 3.38Å; I89-Q93 HydrophobicContact CG2-CG 4.17Å; I89-Q93 WeakPolarHBondContact O-CB 3.24Å; I89-Q93 WeakPolarHBondContact O-CG 3.27Å; I89-Q93 PolarHBondContact O-N 2.9Å; I89-Y95 HydrophobicContact CG2-CD2 4.42Å; I89-Y95 HydrophobicContact CG2-CE2 3.97Å
90	R	97.6	Very high	96.9	Very high	63 Å²	63	79 Å²	79	24%	0.238	40%	0.396	C	S	.	.	H	α-helix	trans	-58.2	-40.8	178	-71.6	-179.2	64	-172.8	2.6	112.6	L86 K88 G94 Y95 M98 L182	L86-R90 HydrophobicContact CD1-CG 4.15Å; L86-R90 HydrophobicContact CG-CG 4.39Å; L86-R90 WeakPolarHBondContact O-CB 3.37Å; L86-R90 VanDerWaalsContact O-CG 3.25Å; L86-R90 WeakPolarHBondContact O-CG 3.08Å; L86-R90 PolarHBondContact O-N 3.01Å; K88-R90 VanDerWaalsContact C-N 3.32Å; K88-R90 PolarHBondContact O-N 3.09Å; R90-G94 CarbonylContact O-C 3.59Å; R90-G94 WeakPolarHBondContact O-CA 3.26Å; R90-G94 PolarHBondContact O-N 3.35Å; R90-Y95 HydrophobicContact CG-CD2 4.17Å; R90-Y95 PolarHBondContact NE-O 2.96Å; R90-Y95 VanDerWaalsContact NE-O 3.11Å; R90-Y95 PolarHBondContact NH2-O 2.87Å; R90-Y95 PolarHBondContact O-N 3.23Å; R90-M98 PolarHBondContact NH1-SD 2.88Å; R90-L182 HydrophobicContact CG-CD2 3.61Å
91	K	97.6	Very high	97	Very high	183 Å²	183	78.3 Å²	78.3	80%	0.796	39%	0.394	S	S	*	.	H	α-helix	trans	-68.1	-44.1	177.7	-176.5	-178.6	176.2	-174.7	0	112	K87 K88 I89	K87-K91 WeakPolarHBondContact O-CB 3.38Å; K87-K91 PolarHBondContact O-N 2.63Å; K88-K91 PolarHBondContact O-N 3.26Å; K88-K91 VanDerWaalsContact O-N 3.11Å; I89-K91 VanDerWaalsContact C-N 3.29Å; I89-K91 PolarHBondContact O-N 3.01Å
92	E	96.9	Very high	97.1	Very high	124 Å²	124	71.8 Å²	71.8	58%	0.579	37%	0.365	S	S	*	.	H	α-helix	trans	-68.9	-38.1	-178.2	-72.4	174	177.3	0	0	112.2	K88 I89	K88-E92 WeakPolarHBondContact CE-OE1 3.44Å; K88-E92 HydrophobicContact CG-CG 4.45Å; K88-E92 WeakPolarHBondContact CG-OE1 3.42Å; K88-E92 WeakPolarHBondContact O-CG 3.32Å; K88-E92 PolarHBondContact O-N 3.37Å; I89-E92 PolarHBondContact O-N 3.38Å
93	Q	95.5	Very high	97.2	Very high	88 Å²	88	66.8 Å²	66.8	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-92.8	-5.8	-179.1	-55.7	-59.4	-40	0	0	113.7	I89 Y95	I89-Q93 HydrophobicContact CG2-CG 4.17Å; I89-Q93 WeakPolarHBondContact O-CB 3.24Å; I89-Q93 WeakPolarHBondContact O-CG 3.27Å; I89-Q93 PolarHBondContact O-N 2.9Å; Q93-Y95 HydrophobicContact CB-CD1 3.82Å; Q93-Y95 HydrophobicContact CB-CD2 4.04Å; Q93-Y95 HydrophobicContact CB-CE1 3.37Å; Q93-Y95 HydrophobicContact CB-CE2 3.63Å; Q93-Y95 HydrophobicContact CB-CG 4.13Å; Q93-Y95 HydrophobicContact CG-CE1 4.32Å; Q93-Y95 HydrophobicContact CG-CE2 3.95Å
94	G	95.8	Very high	97.2	Very high	37 Å²	37	66.6 Å²	66.6	38%	0.381	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	22.2	179.2	0	0	0	0	0	115.2	R90 S96	R90-G94 CarbonylContact O-C 3.59Å; R90-G94 WeakPolarHBondContact O-CA 3.26Å; R90-G94 PolarHBondContact O-N 3.35Å; G94-S96 VanDerWaalsContact C-N 3.33Å; G94-S96 PolarHBondContact O-N 3.37Å
95	Y	95.8	Very high	97	Very high	6 Å²	6	69 Å²	69	2%	0.024	33%	0.332	C	S	.	.			trans	-72.2	82.4	178.9	-54.5	-24.9	0	0	0	111.8	I89 R90 Q93 I129 T160 L182 F183 V184	I89-Y95 HydrophobicContact CG2-CD2 4.42Å; I89-Y95 HydrophobicContact CG2-CE2 3.97Å; R90-Y95 HydrophobicContact CG-CD2 4.17Å; R90-Y95 PolarHBondContact NE-O 2.96Å; R90-Y95 VanDerWaalsContact NE-O 3.11Å; R90-Y95 PolarHBondContact NH2-O 2.87Å; R90-Y95 PolarHBondContact O-N 3.23Å; Q93-Y95 HydrophobicContact CB-CD1 3.82Å; Q93-Y95 HydrophobicContact CB-CD2 4.04Å; Q93-Y95 HydrophobicContact CB-CE1 3.37Å; Q93-Y95 HydrophobicContact CB-CE2 3.63Å; Q93-Y95 HydrophobicContact CB-CG 4.13Å; Q93-Y95 HydrophobicContact CG-CE1 4.32Å; Q93-Y95 HydrophobicContact CG-CE2 3.95Å; Y95-I129 HydrophobicContact CD1-CD1 3.68Å; Y95-I129 HydrophobicContact CD1-CG1 4.41Å; Y95-I129 HydrophobicContact CD2-CG2 4.41Å; Y95-I129 HydrophobicContact CE1-CD1 3.39Å; Y95-I129 HydrophobicContact CE1-CG1 3.78Å; Y95-I129 HydrophobicContact CE2-CG1 4.47Å; Y95-I129 HydrophobicContact CE2-CG2 3.91Å; Y95-I129 HydrophobicContact CG-CD1 4.47Å; Y95-T160 PolarHBondContact OH-OG1 2.8Å; Y95-L182 HydrophobicContact CD2-CB 4.34Å; Y95-L182 HydrophobicContact CD2-CD2 4.03Å; Y95-L182 HydrophobicContact CG-CB 4.28Å; Y95-L182 HydrophobicContact CG-CD2 4.44Å; Y95-F183 CarbonylContact C-O 3.51Å; Y95-F183 WeakPolarHBondContact CA-O 3.45Å; Y95-V184 HydrophobicContact CD1-CG2 3.96Å; Y95-V184 HydrophobicContact CE1-CG2 4.34Å
96	S	95.6	Very high	96.9	Very high	83 Å²	83	71.9 Å²	71.9	58%	0.58	35%	0.351	S	S	*	.			trans	-81.7	-26.1	-174.5	56.4	0	0	0	0	113.8	G94 F183 G185	G94-S96 VanDerWaalsContact C-N 3.33Å; G94-S96 PolarHBondContact O-N 3.37Å; S96-F183 PolarHBondContact N-O 3.06Å; S96-G185 WeakPolarHBondContact OG-CA 3.27Å; S96-G185 PolarHBondContact OG-N 2.96Å
97	Y	97.1	Very high	96.7	Very high	75 Å²	75	77.5 Å²	77.5	29%	0.294	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.4	178.5	-178.6	-84.7	0	0	0	111.6	D99 L182 F183 G185 P187	Y97-D99 HydrophobicContact CE1-CB 4.27Å; Y97-L182 WeakPolarHBondContact O-CA 3.38Å; Y97-F183 HydrophobicContact CD1-CB 4.32Å; Y97-F183 HydrophobicContact CD1-CD2 4.16Å; Y97-F183 PolarHBondContact N-O 3.39Å; Y97-F183 VanDerWaalsContact N-O 3.15Å; Y97-F183 PolarHBondContact O-N 3.19Å; Y97-G185 WeakPolarHBondContact CB-O 3.25Å; Y97-P187 HydrophobicContact CD1-CB 4.2Å; Y97-P187 HydrophobicContact CD1-CG 3.95Å; Y97-P187 HydrophobicContact CD2-CG 4.48Å; Y97-P187 HydrophobicContact CE1-CB 4.19Å; Y97-P187 HydrophobicContact CE1-CG 3.65Å; Y97-P187 HydrophobicContact CE2-CG 4.2Å; Y97-P187 HydrophobicContact CG-CG 4.36Å
98	M	96.8	Very high	96.6	Very high	85 Å²	85	70.6 Å²	70.6	42%	0.419	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.3	168.3	73.6	178.7	-160.7	0	0	111.9	R90 M180 R181 L182	R90-M98 PolarHBondContact NH1-SD 2.88Å; M98-M180 HydrophobicContact CB-CG 4.2Å; M98-M180 HydrophobicContact CB-SD 4.33Å; M98-M180 HydrophobicContact CE-CE 4.43Å; M98-M180 HydrophobicContact SD-CE 3.83Å; M98-M180 HydrophobicContact SD-SD 3.77Å; M98-R181 WeakPolarHBondContact CA-O 3.29Å; M98-L182 HydrophobicContact CB-CG 4.37Å
99	D	97.3	Very high	96.6	Very high	38 Å²	38	70.3 Å²	70.3	20%	0.203	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	178	161.1	69.9	9.2	0	0	0	111	Y97 M180 R181	Y97-D99 HydrophobicContact CE1-CB 4.27Å; D99-M180 CarbonylContact O-C 3.59Å; D99-M180 VanDerWaalsContact O-CA 3.27Å; D99-M180 WeakPolarHBondContact O-CA 3.47Å; D99-R181 PolarHBondContact N-O 2.89Å; D99-R181 VanDerWaalsContact N-O 3.08Å; D99-R181 PolarHBondContact O-N 2.87Å; D99-R181 WeakPolarHBondContact OD1-CB 3.3Å; D99-R181 IonicContact OD1-CZ 3.46Å; D99-R181 IonicContact OD1-NE 3.76Å; D99-R181 PolarHBondContact OD1-NE 3.24Å; D99-R181 IonicContact OD1-NH2 2.87Å; D99-R181 PolarHBondContact OD1-NH2 2.95Å; D99-R181 IonicContact OD2-CZ 2.68Å; D99-R181 IonicContact OD2-NE 2.73Å; D99-R181 IonicContact OD2-NH2 3.87Å; D99-R181 PolarHBondContact OD2-NH2 3.31Å
100	I	98.1	Very high	96.5	Very high	78 Å²	78	75.2 Å²	75.2	40%	0.4	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.5	178.6	-64	176.5	0	0	0	108.7	L133 K178 A179 M180	I100-L133 HydrophobicContact CD1-CD1 3.77Å; I100-L133 HydrophobicContact CG1-CD1 4.01Å; I100-L133 HydrophobicContact CG2-CD1 4.23Å; I100-K178 HydrophobicContact CG2-CD 4.4Å; I100-K178 HydrophobicContact CG2-CG 3.97Å; I100-A179 WeakPolarHBondContact CA-O 3.23Å; I100-M180 HydrophobicContact CG1-CB 4.46Å
101	I	97.8	Very high	96.4	Very high	24 Å²	24	72.9 Å²	72.9	12%	0.123	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.9	172.2	-168.9	170.5	0	0	0	109.7	I103 L108 K178 A179 R181	I101-I103 HydrophobicContact CD1-CG1 4.34Å; I101-I103 HydrophobicContact CG1-CG1 4.28Å; I101-L108 HydrophobicContact CD1-CD1 4.01Å; I101-L108 HydrophobicContact CG1-CD1 4.26Å; I101-K178 WeakPolarHBondContact O-CA 3.27Å; I101-A179 HydrophobicContact CG2-CB 4.2Å; I101-A179 PolarHBondContact N-O 2.92Å; I101-A179 PolarHBondContact O-N 2.75Å; I101-R181 HydrophobicContact CG2-CG 3.87Å
102	T	98.5	Very high	96.4	Very high	28 Å²	28	68.2 Å²	68.2	17%	0.172	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.7	164	-49.3	0	0	0	0	108.6	A104 E107 Y176	T102-A104 HydrophobicContact CG2-CB 4.17Å; T102-E107 WeakPolarHBondContact CB-OE2 3.16Å; T102-E107 HydrophobicContact CG2-CB 4.38Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.49Å; T102-E107 PolarHBondContact OG1-OE2 3.03Å; T102-Y176 HydrophobicContact CG2-CD2 4.36Å; T102-Y176 HydrophobicContact CG2-CE2 3.74Å
103	I	98	Very high	96.4	Very high	10 Å²	10	67.9 Å²	67.9	5%	0.051	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	90.1	174.9	-54.3	179	0	0	0	106.9	I101 L108 Y111 L115 F118 F169 L171 T177	I101-I103 HydrophobicContact CD1-CG1 4.34Å; I101-I103 HydrophobicContact CG1-CG1 4.28Å; I103-L108 HydrophobicContact CB-CD2 4.36Å; I103-L108 HydrophobicContact CG1-CD2 4.31Å; I103-L108 HydrophobicContact CG2-CD2 3.89Å; I103-Y111 HydrophobicContact CG2-CE2 4.12Å; I103-L115 HydrophobicContact CG2-CD2 3.83Å; I103-F118 HydrophobicContact CD1-CE2 4.07Å; I103-F169 HydrophobicContact CD1-CE1 3.68Å; I103-F169 HydrophobicContact CD1-CZ 3.69Å; I103-L171 HydrophobicContact CB-CD2 4.3Å; I103-L171 HydrophobicContact CG2-CD1 3.91Å; I103-L171 HydrophobicContact CG2-CD2 3.95Å; I103-L171 HydrophobicContact CG2-CG 4.17Å; I103-T177 HydrophobicContact CB-CG2 4.04Å; I103-T177 HydrophobicContact CD1-CG2 4.07Å; I103-T177 HydrophobicContact CG1-CG2 4.29Å; I103-T177 PolarHBondContact N-O 3.23Å; I103-T177 PolarHBondContact O-N 3.08Å
104	A	97.1	Very high	96.4	Very high	14 Å²	14	67 Å²	67	12%	0.116	35%	0.348	C	S	.	.			trans	-140.8	151.4	175.1	0	0	0	0	0	109	T102 D106 E107 L108 Y111 Y176	T102-A104 HydrophobicContact CG2-CB 4.17Å; A104-D106 PolarHBondContact O-N 2.87Å; A104-E107 HydrophobicContact CB-CB 4.2Å; A104-E107 HydrophobicContact CB-CG 4.37Å; A104-E107 PolarHBondContact O-N 2.93Å; A104-L108 WeakPolarHBondContact O-CB 3.39Å; A104-L108 PolarHBondContact O-N 3.08Å; A104-Y111 VanDerWaalsContact C-CE2 3.46Å; A104-Y111 WeakPolarHBondContact O-CD2 3.41Å; A104-Y176 HydrophobicContact CB-CD2 4.01Å
105	R	93.6	Very high	96.5	Very high	145 Å²	145	65.8 Å²	65.8	55%	0.547	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-41.7	-175	180	176.4	-71.2	-77.2	-7.8	112.9	Y111 E112	R105-Y111 HydrophobicContact CB-CD1 4.37Å; R105-Y111 HydrophobicContact CB-CE1 4.24Å; R105-Y111 HydrophobicContact CG-CD1 4.46Å; R105-E112 IonicContact CZ-OE1 3.34Å; R105-E112 IonicContact NH1-OE1 2.71Å; R105-E112 PolarHBondContact NH1-OE1 2.99Å; R105-E112 IonicContact NH2-OE1 3.31Å; R105-E112 PolarHBondContact NH2-OE1 3.22Å
106	D	93.8	Very high	96.5	Very high	158 Å²	158	73 Å²	73	85%	0.845	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-8	-173.5	-56.4	-38.1	0	0	0	113.6	A104	A104-D106 PolarHBondContact O-N 2.87Å
107	E	95.2	Very high	96.6	Very high	122 Å²	122	74.4 Å²	74.4	57%	0.57	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-28	-177.2	-67.2	-171.8	-140.5	0	0	113.5	T102 A104 P109	T102-E107 WeakPolarHBondContact CB-OE2 3.16Å; T102-E107 HydrophobicContact CG2-CB 4.38Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.49Å; T102-E107 PolarHBondContact OG1-OE2 3.03Å; A104-E107 HydrophobicContact CB-CB 4.2Å; A104-E107 HydrophobicContact CB-CG 4.37Å; A104-E107 PolarHBondContact O-N 2.93Å; E107-P109 WeakPolarHBondContact O-CD 3.3Å
108	L	95.8	Very high	96.6	Very high	14 Å²	14	73.5 Å²	73.5	7%	0.073	36%	0.36	C	S	.	.	S	Bend	trans	-96.3	114.7	-175.9	-175.5	64.9	0	0	0	111.1	I101 I103 A104 N110 Y111 K114 F118	I101-L108 HydrophobicContact CD1-CD1 4.01Å; I101-L108 HydrophobicContact CG1-CD1 4.26Å; I103-L108 HydrophobicContact CB-CD2 4.36Å; I103-L108 HydrophobicContact CG1-CD2 4.31Å; I103-L108 HydrophobicContact CG2-CD2 3.89Å; A104-L108 WeakPolarHBondContact O-CB 3.39Å; A104-L108 PolarHBondContact O-N 3.08Å; L108-N110 PolarHBondContact O-N 3.32Å; L108-Y111 HydrophobicContact CB-CD2 4.08Å; L108-Y111 HydrophobicContact CD2-CD2 4.1Å; L108-Y111 WeakPolarHBondContact O-CB 3.15Å; L108-Y111 PolarHBondContact O-N 2.77Å; L108-Y111 VanDerWaalsContact O-N 3.17Å; L108-K114 HydrophobicContact CD1-CD 3.71Å; L108-K114 HydrophobicContact CD2-CB 4.09Å; L108-K114 HydrophobicContact CD2-CD 3.77Å; L108-K114 HydrophobicContact CG-CD 3.72Å; L108-F118 HydrophobicContact CD2-CE2 4.48Å
109	P	96.5	Very high	96.7	Very high	94 Å²	94	71.5 Å²	71.5	61%	0.61	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	137.6	173.7	-22.9	34.3	0	0	0	111.3	E107 Y111 K114	E107-P109 WeakPolarHBondContact O-CD 3.3Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.22Å; P109-K114 VanDerWaalsContact O-CD 3.3Å; P109-K114 WeakPolarHBondContact O-CD 3.42Å; P109-K114 WeakPolarHBondContact O-CE 3.18Å
110	N	96.3	Very high	96.8	Very high	111 Å²	111	74.5 Å²	74.5	59%	0.594	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	37.7	-174.9	-55.2	-14.9	0	0	0	113	L108 E112 E113 K114	L108-N110 PolarHBondContact O-N 3.32Å; N110-E112 PolarHBondContact O-N 2.89Å; N110-E113 HydrophobicContact CB-CB 4.3Å; N110-E113 PolarHBondContact O-N 3.21Å; N110-E113 VanDerWaalsContact O-N 3.09Å; N110-K114 PolarHBondContact O-N 3.08Å
111	Y	96.2	Very high	96.8	Very high	13 Å²	13	72.3 Å²	72.3	5%	0.051	35%	0.349	C	S	.	.	H	α-helix	trans	-42.1	-55.5	-176.2	176.1	-99.6	0	0	0	114	I103 A104 R105 L108 P109 E113 K114 L115 L171	I103-Y111 HydrophobicContact CG2-CE2 4.12Å; A104-Y111 VanDerWaalsContact C-CE2 3.46Å; A104-Y111 WeakPolarHBondContact O-CD2 3.41Å; R105-Y111 HydrophobicContact CB-CD1 4.37Å; R105-Y111 HydrophobicContact CB-CE1 4.24Å; R105-Y111 HydrophobicContact CG-CD1 4.46Å; L108-Y111 HydrophobicContact CB-CD2 4.08Å; L108-Y111 HydrophobicContact CD2-CD2 4.1Å; L108-Y111 WeakPolarHBondContact O-CB 3.15Å; L108-Y111 PolarHBondContact O-N 2.77Å; L108-Y111 VanDerWaalsContact O-N 3.17Å; P109-Y111 VanDerWaalsContact C-N 3.25Å; P109-Y111 PolarHBondContact O-N 3.22Å; Y111-E113 PolarHBondContact O-N 3.28Å; Y111-K114 PolarHBondContact O-N 2.95Å; Y111-L115 HydrophobicContact CD1-CD1 4.19Å; Y111-L115 HydrophobicContact CD2-CG 4.48Å; Y111-L115 HydrophobicContact CE1-CD1 3.53Å; Y111-L115 HydrophobicContact CE1-CG 4.31Å; Y111-L115 HydrophobicContact CE2-CD1 3.97Å; Y111-L115 HydrophobicContact CE2-CD2 4.48Å; Y111-L115 HydrophobicContact CE2-CG 4.23Å; Y111-L115 VanDerWaalsContact CZ-CD1 3.42Å; Y111-L115 WeakPolarHBondContact O-CG 3.26Å; Y111-L115 PolarHBondContact O-N 2.86Å; Y111-L171 HydrophobicContact CE2-CD1 4.09Å; Y111-L171 VanDerWaalsContact OH-CD1 3.22Å; Y111-L171 WeakPolarHBondContact OH-CD1 3.22Å
112	E	96.1	Very high	96.8	Very high	86 Å²	86	71.5 Å²	71.5	40%	0.402	35%	0.345	S	S	.	.	H	α-helix	trans	-66.2	-36.7	-175.9	-61.4	-66.8	177.9	0	0	112.8	R105 N110 K116	R105-E112 IonicContact CZ-OE1 3.34Å; R105-E112 IonicContact NH1-OE1 2.71Å; R105-E112 PolarHBondContact NH1-OE1 2.99Å; R105-E112 IonicContact NH2-OE1 3.31Å; R105-E112 PolarHBondContact NH2-OE1 3.22Å; N110-E112 PolarHBondContact O-N 2.89Å; E112-K116 WeakPolarHBondContact O-CG 3.35Å; E112-K116 PolarHBondContact O-N 2.88Å
113	E	96.9	Very high	96.8	Very high	117 Å²	117	70.2 Å²	70.2	55%	0.547	34%	0.337	S	S	.	.	H	α-helix	trans	-69.6	-43.7	176.8	-175.4	-179.8	-167.7	0	0	110.7	N110 Y111 L115 K116 M117	N110-E113 HydrophobicContact CB-CB 4.3Å; N110-E113 PolarHBondContact O-N 3.21Å; N110-E113 VanDerWaalsContact O-N 3.09Å; Y111-E113 PolarHBondContact O-N 3.28Å; E113-L115 PolarHBondContact O-N 2.94Å; E113-K116 WeakPolarHBondContact O-CB 3.09Å; E113-K116 PolarHBondContact O-N 3.05Å; E113-M117 HydrophobicContact CG-SD 4.43Å; E113-M117 WeakPolarHBondContact O-CG 3.49Å; E113-M117 PolarHBondContact O-N 3.17Å
114	K	96.4	Very high	96.8	Very high	69 Å²	69	70.6 Å²	70.6	30%	0.3	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.4	-77.6	-178.2	179.1	-100	0	112.1	L108 P109 N110 Y111 K116 M117 F118	L108-K114 HydrophobicContact CD1-CD 3.71Å; L108-K114 HydrophobicContact CD2-CB 4.09Å; L108-K114 HydrophobicContact CD2-CD 3.77Å; L108-K114 HydrophobicContact CG-CD 3.72Å; P109-K114 VanDerWaalsContact O-CD 3.3Å; P109-K114 WeakPolarHBondContact O-CD 3.42Å; P109-K114 WeakPolarHBondContact O-CE 3.18Å; N110-K114 PolarHBondContact O-N 3.08Å; Y111-K114 PolarHBondContact O-N 2.95Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 3.22Å; K114-M117 PolarHBondContact O-N 3.23Å; K114-F118 HydrophobicContact CB-CD2 4.46Å; K114-F118 HydrophobicContact CB-CE2 3.92Å; K114-F118 HydrophobicContact CB-CZ 4.08Å; K114-F118 HydrophobicContact CD-CZ 4.47Å; K114-F118 HydrophobicContact CG-CZ 4.48Å; K114-F118 WeakPolarHBondContact O-CB 3.09Å; K114-F118 WeakPolarHBondContact O-CD2 3.47Å; K114-F118 WeakPolarHBondContact O-CG 3.46Å; K114-F118 PolarHBondContact O-N 3.09Å
115	L	96.9	Very high	96.8	Very high	12 Å²	12	73.3 Å²	73.3	6%	0.063	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-39.8	176.3	-73.6	-166.1	0	0	0	112.3	I103 Y111 E113 F118 Y119 L171	I103-L115 HydrophobicContact CG2-CD2 3.83Å; Y111-L115 HydrophobicContact CD1-CD1 4.19Å; Y111-L115 HydrophobicContact CD2-CG 4.48Å; Y111-L115 HydrophobicContact CE1-CD1 3.53Å; Y111-L115 HydrophobicContact CE1-CG 4.31Å; Y111-L115 HydrophobicContact CE2-CD1 3.97Å; Y111-L115 HydrophobicContact CE2-CD2 4.48Å; Y111-L115 HydrophobicContact CE2-CG 4.23Å; Y111-L115 VanDerWaalsContact CZ-CD1 3.42Å; Y111-L115 WeakPolarHBondContact O-CG 3.26Å; Y111-L115 PolarHBondContact O-N 2.86Å; E113-L115 PolarHBondContact O-N 2.94Å; L115-F118 HydrophobicContact CD2-CD2 4.33Å; L115-F118 PolarHBondContact O-N 2.65Å; L115-Y119 WeakPolarHBondContact O-CB 3.43Å; L115-Y119 PolarHBondContact O-N 3.49Å; L115-L171 HydrophobicContact CD1-CD1 4.1Å; L115-L171 HydrophobicContact CD2-CD1 4.01Å; L115-L171 HydrophobicContact CD2-CG 4.22Å
116	K	97	Very high	96.9	Very high	156 Å²	156	69.8 Å²	69.8	68%	0.678	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-46.3	173.5	-71.5	173.4	-178	-178.8	0	111.5	E112 E113 K114 F118 Y119 E120	E112-K116 WeakPolarHBondContact O-CG 3.35Å; E112-K116 PolarHBondContact O-N 2.88Å; E113-K116 WeakPolarHBondContact O-CB 3.09Å; E113-K116 PolarHBondContact O-N 3.05Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 3.22Å; K116-F118 VanDerWaalsContact C-N 3.34Å; K116-F118 PolarHBondContact O-N 2.9Å; K116-Y119 PolarHBondContact O-N 3.33Å; K116-E120 PolarHBondContact O-N 3.39Å
117	M	97.1	Very high	97.1	Very high	114 Å²	114	65.2 Å²	65.2	56%	0.562	32%	0.319	S	S	*	.	H	α-helix	trans	-61.2	-41.5	177.4	-69.6	174.4	63.2	0	0	112.5	E113 K114 Y119	E113-M117 HydrophobicContact CG-SD 4.43Å; E113-M117 WeakPolarHBondContact O-CG 3.49Å; E113-M117 PolarHBondContact O-N 3.17Å; K114-M117 PolarHBondContact O-N 3.23Å; M117-Y119 VanDerWaalsContact C-N 3.31Å
118	F	97.8	Very high	97.3	Very high	55 Å²	55	60.1 Å²	60.1	24%	0.241	29%	0.294	C	S	.	.	H	α-helix	trans	-68.7	-31.3	179.3	-62	-28.5	0	0	0	112.5	I103 L108 K114 L115 K116 H122 F169	I103-F118 HydrophobicContact CD1-CE2 4.07Å; L108-F118 HydrophobicContact CD2-CE2 4.48Å; K114-F118 HydrophobicContact CB-CD2 4.46Å; K114-F118 HydrophobicContact CB-CE2 3.92Å; K114-F118 HydrophobicContact CB-CZ 4.08Å; K114-F118 HydrophobicContact CD-CZ 4.47Å; K114-F118 HydrophobicContact CG-CZ 4.48Å; K114-F118 WeakPolarHBondContact O-CB 3.09Å; K114-F118 WeakPolarHBondContact O-CD2 3.47Å; K114-F118 WeakPolarHBondContact O-CG 3.46Å; K114-F118 PolarHBondContact O-N 3.09Å; L115-F118 HydrophobicContact CD2-CD2 4.33Å; L115-F118 PolarHBondContact O-N 2.65Å; K116-F118 VanDerWaalsContact C-N 3.34Å; K116-F118 PolarHBondContact O-N 2.9Å; F118-H122 PolarHBondContact O-CE1 3.45Å; F118-F169 CarbonylContact C-O 3.59Å; F118-F169 HydrophobicContact CB-CB 4.18Å; F118-F169 HydrophobicContact CB-CD1 3.81Å; F118-F169 HydrophobicContact CB-CG 4.45Å; F118-F169 HydrophobicContact CD2-CD1 4Å; F118-F169 HydrophobicContact CD2-CE1 4.29Å; F118-F169 HydrophobicContact CG-CD1 4.21Å; F118-F169 PolarHBondContact O-N 3.22Å
119	Y	98.4	Very high	97.4	Very high	43 Å²	43	59.5 Å²	59.5	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-87.7	-22.3	-177.9	-167.7	-111	0	0	0	114.4	Q48 L115 K116 M117 E121 R168 F169 T170	Q48-Y119 HydrophobicContact CB-CE1 3.85Å; Q48-Y119 HydrophobicContact CB-CE2 3.78Å; Q48-Y119 VanDerWaalsContact CB-OH 3.24Å; Q48-Y119 WeakPolarHBondContact CB-OH 3.19Å; Q48-Y119 VanDerWaalsContact CD-CD1 3.46Å; Q48-Y119 HydrophobicContact CG-CE1 4.3Å; Q48-Y119 HydrophobicContact CG-CE2 4.26Å; Q48-Y119 VanDerWaalsContact NE2-CD2 3.29Å; L115-Y119 WeakPolarHBondContact O-CB 3.43Å; L115-Y119 PolarHBondContact O-N 3.49Å; K116-Y119 PolarHBondContact O-N 3.33Å; M117-Y119 VanDerWaalsContact C-N 3.31Å; Y119-E121 PolarHBondContact O-N 2.9Å; Y119-R168 HydrophobicContact CD2-CB 4.5Å; Y119-R168 HydrophobicContact CD2-CG 4.25Å; Y119-R168 HydrophobicContact CE2-CG 4.3Å; Y119-R168 VanDerWaalsContact CZ-CZ 3.45Å; Y119-R168 VanDerWaalsContact O-CB 3.26Å; Y119-R168 WeakPolarHBondContact O-CB 3.46Å; Y119-R168 WeakPolarHBondContact O-CD 3.33Å; Y119-R168 PolarHBondContact OH-NH1 2.83Å; Y119-R168 PolarHBondContact OH-NH2 2.66Å; Y119-F169 WeakPolarHBondContact CA-O 3.42Å; Y119-F169 PolarHBondContact N-O 3.35Å; Y119-T170 HydrophobicContact CD2-CG2 4.14Å; Y119-T170 HydrophobicContact CE2-CG2 3.98Å
120	E	98.4	Very high	97.5	Very high	102 Å²	102	56.3 Å²	56.3	48%	0.477	27%	0.267	S	S	.	.	S	Bend	trans	-57	132.5	170.2	-169	64.7	-159.4	0	0	109.4	K116 H122 N193	K116-E120 PolarHBondContact O-N 3.39Å; E120-H122 PolarHBondContact O-N 3.38Å; E120-H122 PolarHBondContact O-ND1 2.81Å; E120-N193 HydrophobicContact CG-CB 4.28Å; E120-N193 WeakPolarHBondContact CG-ND2 3.41Å
121	E	98.8	Very high	97.6	Very high	31 Å²	31	51 Å²	51	15%	0.145	24%	0.239	C	C	.	.			trans	-65.2	122.3	-179.2	174.8	173	-165.1	0	0	110.6	Y119 R142 W148 Y166 N193 R194	Y119-E121 PolarHBondContact O-N 2.9Å; E121-R142 IonicContact OE1-CZ 3.91Å; E121-R142 IonicContact OE1-NE 3.68Å; E121-R142 PolarHBondContact OE1-NE 3.04Å; E121-R142 IonicContact OE1-NH2 3.22Å; E121-R142 PolarHBondContact OE1-NH2 3.47Å; E121-R142 IonicContact OE2-CZ 3.35Å; E121-R142 IonicContact OE2-NE 3.44Å; E121-R142 IonicContact OE2-NH2 3.27Å; E121-R142 PolarHBondContact OE2-NH2 3.18Å; E121-W148 HydrophobicContact CB-CH2 4.08Å; E121-W148 HydrophobicContact CB-CZ2 4.09Å; E121-W148 VanDerWaalsContact CD-CZ2 3.42Å; E121-W148 HydrophobicContact CG-CH2 3.68Å; E121-W148 HydrophobicContact CG-CZ2 3.93Å; E121-W148 WeakPolarHBondContact OE2-CZ2 3.39Å; E121-Y166 HydrophobicContact CG-CD1 4.3Å; E121-Y166 HydrophobicContact CG-CG 4.45Å; E121-Y166 WeakPolarHBondContact OE1-CB 3.19Å; E121-N193 WeakPolarHBondContact O-CA 3.37Å; E121-R194 HydrophobicContact CB-CB 4.5Å; E121-R194 HydrophobicContact CG-CB 3.98Å; E121-R194 PolarHBondContact O-N 2.84Å; E121-R194 VanDerWaalsContact OE1-CD 3.27Å; E121-R194 WeakPolarHBondContact OE1-CD 3.26Å; E121-R194 IonicContact OE1-CZ 3.46Å; E121-R194 IonicContact OE1-NE 3.93Å; E121-R194 IonicContact OE1-NH1 3.35Å; E121-R194 PolarHBondContact OE1-NH1 2.84Å; E121-R194 IonicContact OE2-NH1 3.22Å
122	H	98.7	Very high	97.7	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	172.5	-175.1	63	-83.2	0	0	0	113	F118 E120 H124 Y166 H167 A191 Y192	F118-H122 PolarHBondContact O-CE1 3.45Å; E120-H122 PolarHBondContact O-N 3.38Å; E120-H122 PolarHBondContact O-ND1 2.81Å; H122-H124 AromaticContact CD2-CE1 3.76Å; H122-H124 AromaticContact CD2-NE2 3.46Å; H122-H124 PolarHBondContact CD2-NE2 2.8Å; H122-H124 AromaticContact NE2-CE1 3.99Å; H122-H124 AromaticContact NE2-NE2 3.38Å; H122-H124 PolarHBondContact NE2-NE2 2.89Å; H122-Y166 WeakPolarHBondContact O-CA 3.35Å; H122-H167 PolarHBondContact N-O 2.88Å; H122-H167 AromaticContact NE2-NE2 3.65Å; H122-H167 PolarHBondContact O-N 2.81Å; H122-H167 PolarHBondContact O-ND1 2.77Å; H122-A191 HydrophobicContact CB-CB 4.02Å; H122-Y192 CarbonylContact C-O 3.46Å; H122-Y192 VanDerWaalsContact CA-O 3.3Å; H122-Y192 WeakPolarHBondContact CA-O 3.37Å; H122-Y192 WeakPolarHBondContact CB-O 3.29Å
123	L	98.5	Very high	97.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	164.8	167.5	65.9	76.5	0	0	0	111.5	L125 I165 Y166 Y192 A196 I201 R202	L123-L125 HydrophobicContact CD1-CD2 4.47Å; L123-I165 WeakPolarHBondContact CB-O 3.47Å; L123-Y166 HydrophobicContact CB-CD1 4.16Å; L123-Y166 HydrophobicContact CB-CE1 4.38Å; L123-Y166 HydrophobicContact CD2-CD1 4.18Å; L123-Y166 HydrophobicContact CD2-CE1 3.67Å; L123-Y166 HydrophobicContact CG-CD1 4.45Å; L123-Y166 HydrophobicContact CG-CE1 4.16Å; L123-Y192 HydrophobicContact CD1-CD2 4.34Å; L123-Y192 HydrophobicContact CD1-CG 4.47Å; L123-Y192 PolarHBondContact N-O 2.97Å; L123-Y192 PolarHBondContact O-N 2.77Å; L123-A196 HydrophobicContact CD1-CB 4.42Å; L123-A196 HydrophobicContact CD2-CB 3.78Å; L123-A196 HydrophobicContact CG-CB 4Å; L123-I201 HydrophobicContact CD1-CG2 4.19Å; L123-R202 HydrophobicContact CD2-CB 3.96Å; L123-R202 HydrophobicContact CD2-CG 4.22Å
124	H	98	Very high	97.9	Very high	19 Å²	19	44.4 Å²	44.4	9%	0.088	21%	0.211	C	C	.	.			trans	-118	156.3	171.8	-67.1	-58.9	0	0	0	111.2	H122 D126 E128 G164 H167 K190	H122-H124 AromaticContact CD2-CE1 3.76Å; H122-H124 AromaticContact CD2-NE2 3.46Å; H122-H124 PolarHBondContact CD2-NE2 2.8Å; H122-H124 AromaticContact NE2-CE1 3.99Å; H122-H124 AromaticContact NE2-NE2 3.38Å; H122-H124 PolarHBondContact NE2-NE2 2.89Å; H124-D126 VanDerWaalsContact C-N 3.3Å; H124-D126 VanDerWaalsContact CB-O 3.26Å; H124-D126 WeakPolarHBondContact CB-O 3.47Å; H124-E128 IonicContact CD2-OE2 3.9Å; H124-E128 PolarHBondContact CD2-OE2 3.05Å; H124-E128 IonicContact NE2-OE2 2.76Å; H124-E128 PolarHBondContact NE2-OE2 3.32Å; H124-G164 PolarHBondContact O-N 3Å; H124-H167 AromaticContact CD2-CE1 3.5Å; H124-H167 AromaticContact CD2-NE2 3.54Å; H124-H167 AromaticContact NE2-NE2 3.9Å; H124-K190 PolarHBondContact ND1-O 2.89Å
125	L	96.8	Very high	98	Very high	70 Å²	70	41.7 Å²	41.7	37%	0.366	20%	0.202	S	C	.	.	S	Bend	trans	-80.8	-17.1	174.5	-55.2	-173.6	0	0	0	112.7	L123 A163 Y192 I201	L123-L125 HydrophobicContact CD1-CD2 4.47Å; L125-A163 WeakPolarHBondContact O-CB 3.42Å; L125-Y192 HydrophobicContact CD1-CE2 3.9Å; L125-Y192 HydrophobicContact CD2-CD2 4.23Å; L125-Y192 HydrophobicContact CD2-CE2 3.94Å; L125-Y192 HydrophobicContact CG-CD2 4.27Å; L125-Y192 HydrophobicContact CG-CE2 3.64Å; L125-I201 HydrophobicContact CD2-CB 4.3Å; L125-I201 HydrophobicContact CD2-CG2 3.5Å; L125-I201 VanDerWaalsContact CD2-CG2 3.5Å
126	D	96.3	Very high	98	Very high	71 Å²	71	44.4 Å²	44.4	38%	0.38	22%	0.215	S	C	.	.	S	Bend	trans	-120.9	165.8	177.1	-58.7	-72.6	0	0	0	109.2	H124	H124-D126 VanDerWaalsContact C-N 3.3Å; H124-D126 VanDerWaalsContact CB-O 3.26Å; H124-D126 WeakPolarHBondContact CB-O 3.47Å
127	D	97.3	Very high	98.1	Very high	63 Å²	63	37 Å²	37	34%	0.337	18%	0.183	S	C	.	.			trans	-64.6	139.2	176.7	-70.5	-7.1	0	0	0	111.2	I129 T160 L161 P162 A163	D127-I129 HydrophobicContact CB-CD1 4.08Å; D127-I129 HydrophobicContact CB-CG1 4.27Å; D127-T160 HydrophobicContact CB-CG2 3.97Å; D127-L161 CarbonylContact C-O 3.54Å; D127-L161 WeakPolarHBondContact CA-O 3.38Å; D127-P162 WeakPolarHBondContact OD1-CA 3.36Å; D127-A163 PolarHBondContact OD1-N 3.04Å
128	E	98.3	Very high	98.2	Very high	14 Å²	14	32.6 Å²	32.6	7%	0.065	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	106.5	170.9	162.8	133.4	168.2	0	0	109.3	H124 R130 L161 H167	H124-E128 IonicContact CD2-OE2 3.9Å; H124-E128 PolarHBondContact CD2-OE2 3.05Å; H124-E128 IonicContact NE2-OE2 2.76Å; H124-E128 PolarHBondContact NE2-OE2 3.32Å; E128-R130 VanDerWaalsContact CD-CZ 3.42Å; E128-R130 HydrophobicContact CG-CG 4.26Å; E128-R130 IonicContact OE1-CZ 3.32Å; E128-R130 IonicContact OE1-NE 2.98Å; E128-R130 IonicContact OE1-NH2 2.89Å; E128-R130 PolarHBondContact OE1-NH2 3.28Å; E128-R130 IonicContact OE2-CZ 2.63Å; E128-R130 IonicContact OE2-NH1 3.41Å; E128-R130 IonicContact OE2-NH2 3.31Å; E128-R130 PolarHBondContact OE2-NH2 3.4Å; E128-L161 HydrophobicContact CB-CB 4.15Å; E128-L161 HydrophobicContact CG-CD1 4.3Å; E128-L161 PolarHBondContact N-O 3.01Å; E128-L161 PolarHBondContact O-N 2.91Å; E128-H167 IonicContact OE2-NE2 3.33Å
129	I	98.4	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.5	179.8	-49.2	121.3	0	0	0	110.3	Y95 D127 L158 I159 T160 L182	Y95-I129 HydrophobicContact CD1-CD1 3.68Å; Y95-I129 HydrophobicContact CD1-CG1 4.41Å; Y95-I129 HydrophobicContact CD2-CG2 4.41Å; Y95-I129 HydrophobicContact CE1-CD1 3.39Å; Y95-I129 HydrophobicContact CE1-CG1 3.78Å; Y95-I129 HydrophobicContact CE2-CG1 4.47Å; Y95-I129 HydrophobicContact CE2-CG2 3.91Å; Y95-I129 HydrophobicContact CG-CD1 4.47Å; D127-I129 HydrophobicContact CB-CD1 4.08Å; D127-I129 HydrophobicContact CB-CG1 4.27Å; I129-L158 HydrophobicContact CG2-CD2 4.21Å; I129-I159 WeakPolarHBondContact CA-O 3.36Å; I129-T160 HydrophobicContact CG1-CG2 3.9Å; I129-L182 HydrophobicContact CB-CB 4Å; I129-L182 WeakPolarHBondContact CB-O 3.17Å; I129-L182 VanDerWaalsContact CD1-O 3.28Å; I129-L182 WeakPolarHBondContact CD1-O 3.4Å; I129-L182 HydrophobicContact CG2-CB 3.85Å; I129-L182 HydrophobicContact CG2-CD1 3.9Å; I129-L182 HydrophobicContact CG2-CG 4.44Å; I129-L182 PolarHBondContact O-N 3.11Å
130	R	98.7	Very high	98.2	Very high	27 Å²	27	28 Å²	28	10%	0.102	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.3	-177.7	-62.6	-67.6	-174.8	-79.3	-10.7	110.8	E128 F139 L158 I159	E128-R130 VanDerWaalsContact CD-CZ 3.42Å; E128-R130 HydrophobicContact CG-CG 4.26Å; E128-R130 IonicContact OE1-CZ 3.32Å; E128-R130 IonicContact OE1-NE 2.98Å; E128-R130 IonicContact OE1-NH2 2.89Å; E128-R130 PolarHBondContact OE1-NH2 3.28Å; E128-R130 IonicContact OE2-CZ 2.63Å; E128-R130 IonicContact OE2-NH1 3.41Å; E128-R130 IonicContact OE2-NH2 3.31Å; E128-R130 PolarHBondContact OE2-NH2 3.4Å; R130-F139 HydrophobicContact CB-CZ 3.93Å; R130-F139 HydrophobicContact CG-CE1 4.02Å; R130-F139 HydrophobicContact CG-CZ 3.7Å; R130-L158 CarbonylContact O-C 3.31Å; R130-L158 WeakPolarHBondContact O-CA 3.48Å; R130-I159 HydrophobicContact CB-CG2 4.16Å; R130-I159 PolarHBondContact N-O 2.97Å; R130-I159 PolarHBondContact O-N 2.93Å
131	Y	98.8	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.3	174.6	175	-144.7	0	0	0	110	L75 N76 A77 H80 L86 L133 D157 L158 A179 M180	L75-Y131 HydrophobicContact CB-CE2 3.81Å; L75-Y131 VanDerWaalsContact CB-OH 3.24Å; L75-Y131 WeakPolarHBondContact CB-OH 3.25Å; L75-Y131 HydrophobicContact CD1-CE1 4.48Å; L75-Y131 HydrophobicContact CD1-CE2 4.14Å; N76-Y131 PolarHBondContact O-OH 2.95Å; A77-Y131 WeakPolarHBondContact CA-OH 3.34Å; A77-Y131 PolarHBondContact N-OH 2.83Å; H80-Y131 HydrophobicContact CB-CE1 3.77Å; L86-Y131 HydrophobicContact CD1-CD1 4.43Å; L86-Y131 HydrophobicContact CD2-CD1 4.26Å; L86-Y131 HydrophobicContact CD2-CE1 4.08Å; Y131-L133 HydrophobicContact CD1-CD2 3.55Å; Y131-L133 HydrophobicContact CE1-CD2 3.51Å; Y131-L133 HydrophobicContact CG-CD2 4.24Å; Y131-L133 PolarHBondContact O-N 3.48Å; Y131-D157 WeakPolarHBondContact CA-O 3.45Å; Y131-D157 WeakPolarHBondContact CD2-O 3.25Å; Y131-L158 HydrophobicContact CD2-CB 3.8Å; Y131-L158 HydrophobicContact CD2-CD1 4.41Å; Y131-L158 HydrophobicContact CD2-CG 4.46Å; Y131-L158 HydrophobicContact CG-CB 4.25Å; Y131-L158 HydrophobicContact CG-CD1 4.11Å; Y131-L158 HydrophobicContact CG-CG 4.42Å; Y131-A179 CarbonylContact O-C 3.58Å; Y131-A179 WeakPolarHBondContact O-CA 3.19Å; Y131-M180 HydrophobicContact CD1-CB 4.29Å; Y131-M180 HydrophobicContact CD1-SD 4.19Å; Y131-M180 PolarHBondContact N-O 3.11Å; Y131-M180 PolarHBondContact O-N 3.32Å
132	I	98.7	Very high	98.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	111.8	-176.5	-52.2	-53.8	0	0	0	109.7	D134 M153 K154 G156 D157 A179	I132-D134 VanDerWaalsContact CG2-O 3.31Å; I132-D134 WeakPolarHBondContact CG2-O 3.48Å; I132-M153 HydrophobicContact CD1-CB 4.38Å; I132-M153 HydrophobicContact CG1-CB 3.84Å; I132-M153 HydrophobicContact CG1-CE 4.11Å; I132-K154 WeakPolarHBondContact CB-O 3.44Å; I132-G156 PolarHBondContact O-N 3.1Å; I132-D157 PolarHBondContact N-O 2.93Å; I132-A179 HydrophobicContact CD1-CB 4.12Å
133	L	98.7	Very high	98.2	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.058	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-30.9	177.1	-57.5	-175.9	0	0	0	111.7	H80 I100 Y131 K155 K178 M180	H80-L133 HydrophobicContact CB-CD2 3.72Å; I100-L133 HydrophobicContact CD1-CD1 3.77Å; I100-L133 HydrophobicContact CG1-CD1 4.01Å; I100-L133 HydrophobicContact CG2-CD1 4.23Å; Y131-L133 HydrophobicContact CD1-CD2 3.55Å; Y131-L133 HydrophobicContact CE1-CD2 3.51Å; Y131-L133 HydrophobicContact CG-CD2 4.24Å; Y131-L133 PolarHBondContact O-N 3.48Å; L133-K155 WeakPolarHBondContact O-CE 3.41Å; L133-K155 WeakPolarHBondContact O-CG 3.41Å; L133-K178 WeakPolarHBondContact CA-O 3.14Å; L133-K178 HydrophobicContact CB-CD 4.45Å; L133-K178 HydrophobicContact CB-CG 4.27Å; L133-K178 PolarHBondContact N-O 3.32Å; L133-M180 HydrophobicContact CD1-CB 4.11Å; L133-M180 HydrophobicContact CD2-CB 4.29Å; L133-M180 HydrophobicContact CG-CB 4.19Å
134	D	98.5	Very high	98.1	Very high	65 Å²	65	28.3 Å²	28.3	35%	0.348	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160.1	177.8	-160.1	13.8	0	0	0	112.1	I132 Y176 T177 K178	I132-D134 VanDerWaalsContact CG2-O 3.31Å; I132-D134 WeakPolarHBondContact CG2-O 3.48Å; D134-Y176 HydrophobicContact CB-CE1 3.98Å; D134-Y176 VanDerWaalsContact OD2-CE1 3.29Å; D134-Y176 WeakPolarHBondContact OD2-CE1 3.48Å; D134-Y176 PolarHBondContact OD2-OH 2.9Å; D134-T177 WeakPolarHBondContact O-CA 3.3Å; D134-T177 PolarHBondContact O-OG1 3.26Å; D134-T177 VanDerWaalsContact O-OG1 3.1Å; D134-K178 HydrophobicContact CB-CB 3.89Å; D134-K178 PolarHBondContact N-O 3.08Å; D134-K178 VanDerWaalsContact N-O 3.13Å; D134-K178 PolarHBondContact O-N 2.84Å
135	G	97.8	Very high	98.1	Very high	12 Å²	12	33.7 Å²	33.7	12%	0.124	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.5	-154.7	-177.8	0	0	0	0	0	113.9	K155 Y176	G135-K155 PolarHBondContact O-N 3.14Å; G135-Y176 WeakPolarHBondContact CA-O 3.33Å
136	Q	97.6	Very high	98.1	Very high	70 Å²	70	33.2 Å²	33.2	33%	0.327	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.3	-173.6	41.1	-179.9	82	0	0	112	M153 K154 D172 M174 Y176	Q136-M153 CarbonylContact C-O 3.56Å; Q136-M153 VanDerWaalsContact CA-O 3.27Å; Q136-M153 WeakPolarHBondContact CA-O 3.22Å; Q136-K154 HydrophobicContact CB-CB 4.48Å; Q136-D172 VanDerWaalsContact CB-OD2 3.22Å; Q136-D172 WeakPolarHBondContact CB-OD2 3.41Å; Q136-D172 WeakPolarHBondContact CG-OD2 3.26Å; Q136-D172 PolarHBondContact NE2-OD1 3.26Å; Q136-D172 PolarHBondContact NE2-OD2 2.86Å; Q136-M174 HydrophobicContact CG-CB 4.35Å; Q136-M174 HydrophobicContact CG-CG 4.33Å; Q136-M174 HydrophobicContact CG-SD 3.75Å; Q136-M174 PolarHBondContact OE1-SD 3.13Å; Q136-Y176 PolarHBondContact N-O 2.91Å; Q136-Y176 VanDerWaalsContact N-O 3.13Å
137	A	98.3	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	167.3	179	0	0	0	0	0	111.8	M153 F169 T177	A137-M153 PolarHBondContact N-O 2.61Å; A137-M153 PolarHBondContact O-N 2.76Å; A137-F169 HydrophobicContact CB-CD2 4.21Å; A137-F169 HydrophobicContact CB-CE2 3.26Å; A137-F169 HydrophobicContact CB-CZ 3.62Å; A137-T177 HydrophobicContact CB-CG2 4.26Å
138	Y	98.8	Very high	98.2	Very high	21 Å²	21	33.4 Å²	33.4	8%	0.082	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	136.7	172.7	-61.2	-50.8	0	0	0	111.7	W39 R49 R150 I151 A152 F169 T170 D172	W39-Y138 HydrophobicContact CH2-CD1 4.48Å; W39-Y138 AromaticContact CH2-CE1 3.75Å; W39-Y138 HydrophobicContact CH2-CE1 3.75Å; W39-Y138 HydrophobicContact CZ2-CE1 4.02Å; R49-Y138 WeakPolarHBondContact O-CE2 3.41Å; Y138-R150 HydrophobicContact CD1-CG 3.63Å; Y138-R150 VanDerWaalsContact CD2-NH1 3.33Å; Y138-R150 HydrophobicContact CE1-CG 4.24Å; Y138-R150 HydrophobicContact CG-CG 3.87Å; Y138-I151 WeakPolarHBondContact CA-O 3.38Å; Y138-A152 HydrophobicContact CD1-CB 3.99Å; Y138-A152 HydrophobicContact CE1-CB 3.69Å; Y138-F169 WeakPolarHBondContact O-CA 3.41Å; Y138-T170 HydrophobicContact CD2-CG2 4.11Å; Y138-T170 PolarHBondContact N-O 2.86Å; Y138-T170 PolarHBondContact O-N 2.8Å; Y138-D172 HydrophobicContact CD2-CB 4.06Å; Y138-D172 HydrophobicContact CE2-CB 3.52Å
139	F	98.9	Very high	98.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	120.3	160.6	-69	-97	0	0	0	107.7	R130 I151 M153 L161 R168 F169	R130-F139 HydrophobicContact CB-CZ 3.93Å; R130-F139 HydrophobicContact CG-CE1 4.02Å; R130-F139 HydrophobicContact CG-CZ 3.7Å; F139-I151 HydrophobicContact CB-CB 4.49Å; F139-I151 PolarHBondContact N-O 2.8Å; F139-I151 WeakPolarHBondContact O-CB 3.48Å; F139-I151 PolarHBondContact O-N 3.31Å; F139-M153 HydrophobicContact CD2-CB 4.23Å; F139-M153 HydrophobicContact CD2-CG 3.6Å; F139-M153 HydrophobicContact CE2-CB 4.29Å; F139-M153 HydrophobicContact CE2-CG 3.96Å; F139-L161 HydrophobicContact CD1-CD1 3.8Å; F139-R168 WeakPolarHBondContact CA-O 3.47Å; F139-F169 HydrophobicContact CD1-CB 4.38Å; F139-F169 HydrophobicContact CD1-CD2 4.18Å; F139-F169 HydrophobicContact CD2-CD2 4.26Å; F139-F169 HydrophobicContact CE1-CB 4.28Å; F139-F169 AromaticContact CE1-CD2 3.69Å; F139-F169 HydrophobicContact CE1-CD2 3.69Å; F139-F169 HydrophobicContact CE1-CG 4.42Å; F139-F169 AromaticContact CE2-CD2 3.77Å; F139-F169 HydrophobicContact CE2-CD2 3.77Å; F139-F169 HydrophobicContact CE2-CE2 4.02Å; F139-F169 HydrophobicContact CG-CD2 4.45Å; F139-F169 AromaticContact CZ-CD2 3.45Å; F139-F169 HydrophobicContact CZ-CD2 3.45Å; F139-F169 VanDerWaalsContact CZ-CD2 3.45Å; F139-F169 AromaticContact CZ-CE2 3.89Å; F139-F169 HydrophobicContact CZ-CE2 3.89Å
140	D	98.9	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	133.2	173.4	-53.9	-26.9	0	0	0	108.5	M41 W148 I149 R150 H167 R168	M41-D140 HydrophobicContact SD-CB 4.26Å; M41-D140 VanDerWaalsContact SD-CG 3.57Å; D140-W148 HydrophobicContact CB-CD2 4.38Å; D140-W148 HydrophobicContact CB-CE3 3.66Å; D140-W148 HydrophobicContact CB-CZ3 3.94Å; D140-I149 CarbonylContact C-O 3.53Å; D140-I149 VanDerWaalsContact CA-O 3.25Å; D140-I149 WeakPolarHBondContact CA-O 3.11Å; D140-R150 WeakPolarHBondContact OD1-CA 3.36Å; D140-R150 WeakPolarHBondContact OD1-CB 3.5Å; D140-R150 IonicContact OD1-CZ 2.97Å; D140-R150 IonicContact OD1-NE 2.87Å; D140-R150 PolarHBondContact OD1-NE 3.01Å; D140-R150 IonicContact OD1-NH2 2.78Å; D140-R150 PolarHBondContact OD1-NH2 2.91Å; D140-R150 IonicContact OD2-CZ 2.77Å; D140-R150 IonicContact OD2-NE 3.45Å; D140-R150 IonicContact OD2-NH2 3.56Å; D140-R150 PolarHBondContact OD2-NH2 3.09Å; D140-H167 CarbonylContact O-C 3.6Å; D140-H167 WeakPolarHBondContact O-CA 3.2Å; D140-H167 VanDerWaalsContact O-CB 3.28Å; D140-H167 WeakPolarHBondContact O-CB 3.43Å; D140-R168 HydrophobicContact CB-CG 3.73Å; D140-R168 PolarHBondContact N-O 2.87Å; D140-R168 PolarHBondContact O-N 3.22Å; D140-R168 IonicContact OD2-CZ 2.75Å; D140-R168 IonicContact OD2-NE 3.72Å; D140-R168 PolarHBondContact OD2-NE 3.21Å; D140-R168 IonicContact OD2-NH2 3.5Å; D140-R168 PolarHBondContact OD2-NH2 2.89Å
141	V	98.9	Very high	98.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.8	178.4	-59.3	0	0	0	0	110.7	L68 I149 I151 L161 I165 H167	L68-V141 HydrophobicContact CD1-CG2 4.42Å; V141-I149 HydrophobicContact CG2-CB 4.06Å; V141-I149 PolarHBondContact N-O 2.81Å; V141-I149 PolarHBondContact O-N 2.98Å; V141-I151 HydrophobicContact CG1-CD1 4.18Å; V141-I151 HydrophobicContact CG2-CD1 4Å; V141-L161 HydrophobicContact CG1-CD1 4.36Å; V141-L161 HydrophobicContact CG1-CD2 3.87Å; V141-I165 HydrophobicContact CB-CD1 3.93Å; V141-I165 HydrophobicContact CG1-CD1 4.08Å; V141-H167 HydrophobicContact CG1-CB 4.02Å
142	R	98.7	Very high	98.3	Very high	42 Å²	42	32.4 Å²	32.4	16%	0.158	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	135	173.2	-65.4	-66.6	-169.8	165.6	-0.8	111.5	E121 D146 R147 W148 Y166	E121-R142 IonicContact OE1-CZ 3.91Å; E121-R142 IonicContact OE1-NE 3.68Å; E121-R142 PolarHBondContact OE1-NE 3.04Å; E121-R142 IonicContact OE1-NH2 3.22Å; E121-R142 PolarHBondContact OE1-NH2 3.47Å; E121-R142 IonicContact OE2-CZ 3.35Å; E121-R142 IonicContact OE2-NE 3.44Å; E121-R142 IonicContact OE2-NH2 3.27Å; E121-R142 PolarHBondContact OE2-NH2 3.18Å; R142-D146 VanDerWaalsContact CD-OD1 3.26Å; R142-D146 WeakPolarHBondContact CD-OD1 3.42Å; R142-D146 WeakPolarHBondContact CG-OD1 3.37Å; R142-D146 IonicContact NE-OD1 2.66Å; R142-D146 PolarHBondContact NH1-O 2.7Å; R142-R147 CarbonylContact C-O 3.59Å; R142-R147 WeakPolarHBondContact CA-O 3.31Å; R142-W148 HydrophobicContact CG-CE3 4.3Å; R142-W148 HydrophobicContact CG-CH2 4.26Å; R142-W148 HydrophobicContact CG-CZ3 4.03Å; R142-W148 VanDerWaalsContact CZ-NE1 3.35Å; R142-W148 VanDerWaalsContact NE-CZ2 3.33Å; R142-Y166 PolarHBondContact N-O 2.88Å
143	D	98.1	Very high	98.3	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.064	15%	0.152	C	C	.	.			trans	-76.6	-175.1	166.3	78.6	-4.7	0	0	0	112	Y40 L68 E145 D146 R147 I149	Y40-D143 HydrophobicContact CE1-CB 4.23Å; Y40-D143 WeakPolarHBondContact CE1-OD2 3.43Å; Y40-D143 PolarHBondContact OH-OD2 3.28Å; L68-D143 HydrophobicContact CD1-CB 4.5Å; D143-E145 PolarHBondContact O-N 3.2Å; D143-E145 WeakPolarHBondContact OD1-CA 3.36Å; D143-E145 PolarHBondContact OD1-N 2.77Å; D143-D146 PolarHBondContact O-N 3.42Å; D143-D146 PolarHBondContact OD1-N 2.83Å; D143-R147 PolarHBondContact N-O 2.63Å; D143-R147 WeakPolarHBondContact OD1-CB 3.36Å; D143-R147 PolarHBondContact OD1-N 3.14Å; D143-R147 IonicContact OD2-CZ 3.8Å; D143-R147 IonicContact OD2-NE 3.55Å; D143-R147 PolarHBondContact OD2-NE 3.14Å; D143-R147 IonicContact OD2-NH2 3.93Å; D143-R147 PolarHBondContact OD2-NH2 3.49Å; D143-I149 HydrophobicContact CB-CD1 3.72Å; D143-I149 HydrophobicContact CB-CG1 4.33Å
144	K	96.3	Very high	98.3	Very high	94 Å²	94	35.1 Å²	35.1	41%	0.409	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.7	179.7	-63.3	-169.7	-176.7	-169.6	0	112.1	L68 L209 S212	L68-K144 HydrophobicContact CD2-CG 3.99Å; K144-L209 WeakPolarHBondContact CE-O 3.36Å; K144-L209 HydrophobicContact CG-CD1 4.41Å; K144-L209 PolarHBondContact NZ-O 2.84Å; K144-S212 PolarHBondContact NZ-O 3.38Å; K144-S212 PolarHBondContact NZ-OG 3.29Å; K144-S212 VanDerWaalsContact NZ-OG 3.08Å
145	E	96.8	Very high	98.3	Very high	131 Å²	131	35.7 Å²	35.7	61%	0.612	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	11.9	178.1	-63.1	74	-161	0	0	112.9	D143 R147	D143-E145 PolarHBondContact O-N 3.2Å; D143-E145 WeakPolarHBondContact OD1-CA 3.36Å; D143-E145 PolarHBondContact OD1-N 2.77Å; E145-R147 VanDerWaalsContact C-N 3.29Å; E145-R147 HydrophobicContact CB-CG 4.34Å; E145-R147 PolarHBondContact O-N 2.95Å
146	D	97.3	Very high	98.3	Very high	60 Å²	60	35.2 Å²	35.2	32%	0.321	16%	0.158	S	C	.	.	S	Bend	trans	62.2	29.9	179.4	-152.9	33.1	0	0	0	114.2	R142 D143 R194	R142-D146 VanDerWaalsContact CD-OD1 3.26Å; R142-D146 WeakPolarHBondContact CD-OD1 3.42Å; R142-D146 WeakPolarHBondContact CG-OD1 3.37Å; R142-D146 IonicContact NE-OD1 2.66Å; R142-D146 PolarHBondContact NH1-O 2.7Å; D143-D146 PolarHBondContact O-N 3.42Å; D143-D146 PolarHBondContact OD1-N 2.83Å; D146-R194 IonicContact OD1-CZ 3.39Å; D146-R194 IonicContact OD1-NH1 2.78Å; D146-R194 PolarHBondContact OD1-NH1 3.26Å; D146-R194 IonicContact OD1-NH2 2.73Å; D146-R194 PolarHBondContact OD1-NH2 2.68Å; D146-R194 IonicContact OD2-CZ 3.75Å; D146-R194 IonicContact OD2-NH1 2.65Å; D146-R194 PolarHBondContact OD2-NH1 2.79Å; D146-R194 IonicContact OD2-NH2 3.74Å; D146-R194 PolarHBondContact OD2-NH2 3.33Å
147	R	98.2	Very high	98.3	Very high	99 Å²	99	31.9 Å²	31.9	37%	0.374	14%	0.143	S	C	.	.			trans	-94.3	150.1	172.5	-53.8	-175.7	-62.4	157.9	1.5	110.9	Y40 R142 D143 E145	Y40-R147 HydrophobicContact CD1-CB 4.24Å; Y40-R147 HydrophobicContact CE1-CB 4.24Å; Y40-R147 VanDerWaalsContact CE1-CZ 3.49Å; Y40-R147 PolarHBondContact OH-NH2 3.31Å; Y40-R147 VanDerWaalsContact OH-NH2 3.07Å; R142-R147 CarbonylContact C-O 3.59Å; R142-R147 WeakPolarHBondContact CA-O 3.31Å; D143-R147 PolarHBondContact N-O 2.63Å; D143-R147 WeakPolarHBondContact OD1-CB 3.36Å; D143-R147 PolarHBondContact OD1-N 3.14Å; D143-R147 IonicContact OD2-CZ 3.8Å; D143-R147 IonicContact OD2-NE 3.55Å; D143-R147 PolarHBondContact OD2-NE 3.14Å; D143-R147 IonicContact OD2-NH2 3.93Å; D143-R147 PolarHBondContact OD2-NH2 3.49Å; E145-R147 VanDerWaalsContact C-N 3.29Å; E145-R147 HydrophobicContact CB-CG 4.34Å; E145-R147 PolarHBondContact O-N 2.95Å
148	W	98.8	Very high	98.3	Very high	40 Å²	40	31.9 Å²	31.9	15%	0.152	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.9	177.6	-74.3	121.5	0	0	0	112.3	Y40 M41 E121 D140 R142 R168	Y40-W148 WeakPolarHBondContact CA-O 3.36Å; M41-W148 HydrophobicContact CB-CB 4.11Å; M41-W148 HydrophobicContact CG-CB 4.1Å; M41-W148 PolarHBondContact N-O 3.13Å; M41-W148 VanDerWaalsContact N-O 3.08Å; M41-W148 HydrophobicContact SD-CB 3.75Å; M41-W148 HydrophobicContact SD-CG 4.38Å; E121-W148 HydrophobicContact CB-CH2 4.08Å; E121-W148 HydrophobicContact CB-CZ2 4.09Å; E121-W148 VanDerWaalsContact CD-CZ2 3.42Å; E121-W148 HydrophobicContact CG-CH2 3.68Å; E121-W148 HydrophobicContact CG-CZ2 3.93Å; E121-W148 WeakPolarHBondContact OE2-CZ2 3.39Å; D140-W148 HydrophobicContact CB-CD2 4.38Å; D140-W148 HydrophobicContact CB-CE3 3.66Å; D140-W148 HydrophobicContact CB-CZ3 3.94Å; R142-W148 HydrophobicContact CG-CE3 4.3Å; R142-W148 HydrophobicContact CG-CH2 4.26Å; R142-W148 HydrophobicContact CG-CZ3 4.03Å; R142-W148 VanDerWaalsContact CZ-NE1 3.35Å; R142-W148 VanDerWaalsContact NE-CZ2 3.33Å; W148-R168 HydrophobicContact CH2-CG 4.04Å; W148-R168 HydrophobicContact CZ3-CG 4.25Å
149	I	98.9	Very high	98.3	Very high	2 Å²	2	31 Å²	31	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.5	164.7	-61.6	168.2	0	0	0	107.5	A38 W39 Y40 V60 L65 L68 D140 V141 D143 I151	A38-I149 HydrophobicContact CB-CG2 4.14Å; W39-I149 CarbonylContact O-C 3.41Å; W39-I149 WeakPolarHBondContact O-CA 3.47Å; Y40-I149 HydrophobicContact CD1-CG1 3.8Å; Y40-I149 HydrophobicContact CE1-CD1 3.92Å; Y40-I149 HydrophobicContact CE1-CG1 3.45Å; Y40-I149 VanDerWaalsContact CE1-CG1 3.45Å; V60-I149 HydrophobicContact CB-CG2 4.06Å; V60-I149 HydrophobicContact CG1-CD1 4.17Å; V60-I149 HydrophobicContact CG1-CG2 4.27Å; V60-I149 HydrophobicContact CG2-CD1 4.07Å; V60-I149 HydrophobicContact CG2-CG1 4.01Å; V60-I149 HydrophobicContact CG2-CG2 3.79Å; L65-I149 HydrophobicContact CD2-CG2 4.13Å; L68-I149 HydrophobicContact CD1-CD1 3.8Å; D140-I149 CarbonylContact C-O 3.53Å; D140-I149 VanDerWaalsContact CA-O 3.25Å; D140-I149 WeakPolarHBondContact CA-O 3.11Å; V141-I149 HydrophobicContact CG2-CB 4.06Å; V141-I149 PolarHBondContact N-O 2.81Å; V141-I149 PolarHBondContact O-N 2.98Å; D143-I149 HydrophobicContact CB-CD1 3.72Å; D143-I149 HydrophobicContact CB-CG1 4.33Å; I149-I151 HydrophobicContact CG2-CG1 4.37Å
150	R	98.9	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.2	171.3	175.1	152.6	-72.4	-166	-3.8	110.1	A38 W39 M41 Q48 K50 P51 Y138 D140	A38-R150 CarbonylContact C-O 3.53Å; A38-R150 WeakPolarHBondContact CA-O 3.4Å; A38-R150 WeakPolarHBondContact CB-O 3.42Å; W39-R150 HydrophobicContact CD2-CB 4.42Å; W39-R150 HydrophobicContact CH2-CG 4.28Å; W39-R150 HydrophobicContact CZ2-CB 4.33Å; W39-R150 HydrophobicContact CZ2-CG 3.66Å; W39-R150 PolarHBondContact N-O 3.18Å; W39-R150 PolarHBondContact O-N 2.89Å; M41-R150 VanDerWaalsContact CE-CZ 3.43Å; M41-R150 VanDerWaalsContact CE-NH2 3.31Å; M41-R150 HydrophobicContact CG-CB 3.72Å; M41-R150 HydrophobicContact SD-CB 3.96Å; Q48-R150 PolarHBondContact O-NH1 3.27Å; Q48-R150 PolarHBondContact O-NH2 2.85Å; Q48-R150 VanDerWaalsContact O-NH2 3.08Å; K50-R150 PolarHBondContact O-NH1 3.17Å; P51-R150 WeakPolarHBondContact O-CD 3.48Å; Y138-R150 HydrophobicContact CD1-CG 3.63Å; Y138-R150 VanDerWaalsContact CD2-NH1 3.33Å; Y138-R150 HydrophobicContact CE1-CG 4.24Å; Y138-R150 HydrophobicContact CG-CG 3.87Å; D140-R150 WeakPolarHBondContact OD1-CA 3.36Å; D140-R150 WeakPolarHBondContact OD1-CB 3.5Å; D140-R150 IonicContact OD1-CZ 2.97Å; D140-R150 IonicContact OD1-NE 2.87Å; D140-R150 PolarHBondContact OD1-NE 3.01Å; D140-R150 IonicContact OD1-NH2 2.78Å; D140-R150 PolarHBondContact OD1-NH2 2.91Å; D140-R150 IonicContact OD2-CZ 2.77Å; D140-R150 IonicContact OD2-NE 3.45Å; D140-R150 IonicContact OD2-NH2 3.56Å; D140-R150 PolarHBondContact OD2-NH2 3.09Å
151	I	98.8	Very high	98.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116.8	176.7	-52.4	172.9	0	0	0	108.2	L36 A38 L65 V70 Y138 F139 V141 I149 M153 I159	L36-I151 HydrophobicContact CD1-CG2 3.85Å; L36-I151 HydrophobicContact CD2-CG2 3.7Å; L36-I151 HydrophobicContact CG-CG2 3.94Å; A38-I151 HydrophobicContact CB-CG1 4.12Å; L65-I151 HydrophobicContact CD1-CD1 4.17Å; L65-I151 HydrophobicContact CD1-CG1 4.35Å; L65-I151 HydrophobicContact CD2-CD1 3.85Å; L65-I151 HydrophobicContact CD2-CG1 4.18Å; V70-I151 HydrophobicContact CG1-CD1 4.17Å; Y138-I151 WeakPolarHBondContact CA-O 3.38Å; F139-I151 HydrophobicContact CB-CB 4.49Å; F139-I151 PolarHBondContact N-O 2.8Å; F139-I151 WeakPolarHBondContact O-CB 3.48Å; F139-I151 PolarHBondContact O-N 3.31Å; V141-I151 HydrophobicContact CG1-CD1 4.18Å; V141-I151 HydrophobicContact CG2-CD1 4Å; I149-I151 HydrophobicContact CG2-CG1 4.37Å; I151-M153 HydrophobicContact CG2-CG 4.34Å; I151-M153 HydrophobicContact CG2-SD 4.31Å; I151-M153 PolarHBondContact O-N 2.98Å; I151-I159 HydrophobicContact CD1-CD1 3.86Å; I151-I159 HydrophobicContact CG2-CD1 4.03Å
152	A	98.7	Very high	98.3	Very high	18 Å²	18	32.1 Å²	32.1	15%	0.149	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.8	178.1	0	0	0	0	0	111	L36 E37 W39 Y138	L36-A152 WeakPolarHBondContact CD1-O 3.23Å; E37-A152 HydrophobicContact CB-CB 4.31Å; E37-A152 PolarHBondContact O-N 2.97Å; W39-A152 HydrophobicContact CH2-CB 3.69Å; W39-A152 HydrophobicContact CZ3-CB 3.68Å; Y138-A152 HydrophobicContact CD1-CB 3.99Å; Y138-A152 HydrophobicContact CE1-CB 3.69Å
153	M	98.6	Very high	98.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.4	179.6	-68.3	-70.3	-66.7	0	0	109.6	L36 I132 Q136 A137 F139 I151 D157 I159	L36-M153 HydrophobicContact CD1-SD 3.58Å; L36-M153 VanDerWaalsContact CD1-SD 3.58Å; I132-M153 HydrophobicContact CD1-CB 4.38Å; I132-M153 HydrophobicContact CG1-CB 3.84Å; I132-M153 HydrophobicContact CG1-CE 4.11Å; Q136-M153 CarbonylContact C-O 3.56Å; Q136-M153 VanDerWaalsContact CA-O 3.27Å; Q136-M153 WeakPolarHBondContact CA-O 3.22Å; A137-M153 PolarHBondContact N-O 2.61Å; A137-M153 PolarHBondContact O-N 2.76Å; F139-M153 HydrophobicContact CD2-CB 4.23Å; F139-M153 HydrophobicContact CD2-CG 3.6Å; F139-M153 HydrophobicContact CE2-CB 4.29Å; F139-M153 HydrophobicContact CE2-CG 3.96Å; I151-M153 HydrophobicContact CG2-CG 4.34Å; I151-M153 HydrophobicContact CG2-SD 4.31Å; I151-M153 PolarHBondContact O-N 2.98Å; M153-D157 VanDerWaalsContact CE-C 3.47Å; M153-D157 HydrophobicContact CE-CB 3.39Å; M153-D157 VanDerWaalsContact CE-O 3.26Å; M153-D157 WeakPolarHBondContact CE-O 3.38Å; M153-D157 HydrophobicContact SD-CB 3.82Å; M153-I159 HydrophobicContact CE-CB 3.55Å; M153-I159 HydrophobicContact CE-CG2 3.52Å; M153-I159 HydrophobicContact SD-CB 3.84Å; M153-I159 HydrophobicContact SD-CD1 4.06Å; M153-I159 HydrophobicContact SD-CG2 4.06Å
154	K	98.1	Very high	98.2	Very high	68 Å²	68	30.3 Å²	30.3	30%	0.296	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	172.5	177.1	58	-178	172	-158	0	110.7	I132 Q136 G156 D157	I132-K154 WeakPolarHBondContact CB-O 3.44Å; Q136-K154 HydrophobicContact CB-CB 4.48Å; K154-G156 PolarHBondContact O-N 3.44Å; K154-D157 WeakPolarHBondContact CG-OD2 2.95Å; K154-D157 PolarHBondContact N-OD2 3.46Å; K154-D157 WeakPolarHBondContact O-CB 3.45Å; K154-D157 PolarHBondContact O-N 2.88Å
155	K	98.4	Very high	98.3	Very high	78 Å²	78	25.9 Å²	25.9	34%	0.339	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.4	128.2	176.2	-177.2	171.5	-177.1	-177.3	0	113.1	K74 A77 D78 L133 G135	K74-K155 PolarHBondContact NZ-O 3.14Å; A77-K155 HydrophobicContact CB-CD 4.43Å; A77-K155 HydrophobicContact CB-CG 3.71Å; D78-K155 WeakPolarHBondContact OD1-CE 3.4Å; D78-K155 IonicContact OD1-NZ 3.46Å; D78-K155 PolarHBondContact OD1-NZ 3.22Å; D78-K155 IonicContact OD2-NZ 3.79Å; D78-K155 PolarHBondContact OD2-NZ 2.84Å; L133-K155 WeakPolarHBondContact O-CE 3.41Å; L133-K155 WeakPolarHBondContact O-CG 3.41Å; G135-K155 PolarHBondContact O-N 3.14Å
156	G	98.3	Very high	98.4	Very high	2 Å²	2	19.6 Å²	19.6	2%	0.021	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.8	-6.1	-178.7	0	0	0	0	0	114.8	L75 I132 K154	L75-G156 PolarHBondContact N-O 2.64Å; L75-G156 VanDerWaalsContact O-CA 3.26Å; L75-G156 WeakPolarHBondContact O-CA 3.47Å; I132-G156 PolarHBondContact O-N 3.1Å; K154-G156 PolarHBondContact O-N 3.44Å
157	D	98.6	Very high	98.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.8	-179.7	-60.5	-16.2	0	0	0	110.8	Y72 K74 Y131 I132 M153 K154	Y72-D157 HydrophobicContact CE2-CB 3.84Å; Y72-D157 PolarHBondContact OH-OD1 3.49Å; K74-D157 WeakPolarHBondContact CD-OD1 3.22Å; K74-D157 IonicContact NZ-OD1 2.67Å; K74-D157 PolarHBondContact NZ-OD1 2.87Å; Y131-D157 WeakPolarHBondContact CA-O 3.45Å; Y131-D157 WeakPolarHBondContact CD2-O 3.25Å; I132-D157 PolarHBondContact N-O 2.93Å; M153-D157 VanDerWaalsContact CE-C 3.47Å; M153-D157 HydrophobicContact CE-CB 3.39Å; M153-D157 VanDerWaalsContact CE-O 3.26Å; M153-D157 WeakPolarHBondContact CE-O 3.38Å; M153-D157 HydrophobicContact SD-CB 3.82Å; K154-D157 WeakPolarHBondContact CG-OD2 2.95Å; K154-D157 PolarHBondContact N-OD2 3.46Å; K154-D157 WeakPolarHBondContact O-CB 3.45Å; K154-D157 PolarHBondContact O-N 2.88Å
158	L	98.5	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.9	171.6	-172.3	154.8	0	0	0	109.1	Y72 W73 L75 L86 I129 R130 Y131 L182	Y72-L158 CarbonylContact C-O 3.15Å; Y72-L158 VanDerWaalsContact CA-O 3.3Å; Y72-L158 WeakPolarHBondContact CA-O 3.37Å; Y72-L158 WeakPolarHBondContact CD2-O 3.42Å; W73-L158 HydrophobicContact CB-CB 4.36Å; W73-L158 HydrophobicContact CD2-CD2 4.18Å; W73-L158 HydrophobicContact CE3-CD2 3.31Å; W73-L158 HydrophobicContact CZ3-CD2 3.72Å; W73-L158 PolarHBondContact N-O 3.31Å; W73-L158 PolarHBondContact O-N 2.91Å; L75-L158 HydrophobicContact CD1-CB 4.24Å; L75-L158 HydrophobicContact CD1-CD1 3.83Å; L86-L158 HydrophobicContact CD1-CD1 3.79Å; I129-L158 HydrophobicContact CG2-CD2 4.21Å; R130-L158 CarbonylContact O-C 3.31Å; R130-L158 WeakPolarHBondContact O-CA 3.48Å; Y131-L158 HydrophobicContact CD2-CB 3.8Å; Y131-L158 HydrophobicContact CD2-CD1 4.41Å; Y131-L158 HydrophobicContact CD2-CG 4.46Å; Y131-L158 HydrophobicContact CG-CB 4.25Å; Y131-L158 HydrophobicContact CG-CD1 4.11Å; Y131-L158 HydrophobicContact CG-CG 4.42Å; L158-L182 HydrophobicContact CD1-CD1 4.45Å
159	I	98.5	Very high	98.6	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	146	178.5	-163.9	168.9	0	0	0	111	V70 F71 I129 R130 I151 M153 L161	V70-I159 HydrophobicContact CG1-CD1 3.73Å; V70-I159 HydrophobicContact CG1-CG1 3.81Å; F71-I159 CarbonylContact O-C 3.54Å; F71-I159 WeakPolarHBondContact O-CA 3.17Å; F71-I159 WeakPolarHBondContact O-CG1 3.39Å; I129-I159 WeakPolarHBondContact CA-O 3.36Å; R130-I159 HydrophobicContact CB-CG2 4.16Å; R130-I159 PolarHBondContact N-O 2.97Å; R130-I159 PolarHBondContact O-N 2.93Å; I151-I159 HydrophobicContact CD1-CD1 3.86Å; I151-I159 HydrophobicContact CG2-CD1 4.03Å; M153-I159 HydrophobicContact CE-CB 3.55Å; M153-I159 HydrophobicContact CE-CG2 3.52Å; M153-I159 HydrophobicContact SD-CB 3.84Å; M153-I159 HydrophobicContact SD-CD1 4.06Å; M153-I159 HydrophobicContact SD-CG2 4.06Å; I159-L161 HydrophobicContact CD1-CD2 3.77Å; I159-L161 HydrophobicContact CG1-CD2 4.02Å
160	T	98.4	Very high	98.5	Very high	4 Å²	4	12.6 Å²	12.6	3%	0.025	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.9	166.8	-61.5	0	0	0	0	108.5	V70 F71 Y95 D127 I129	V70-T160 WeakPolarHBondContact CA-O 3.42Å; F71-T160 PolarHBondContact N-O 3.27Å; F71-T160 VanDerWaalsContact N-O 3.09Å; F71-T160 PolarHBondContact O-N 2.71Å; Y95-T160 PolarHBondContact OH-OG1 2.8Å; D127-T160 HydrophobicContact CB-CG2 3.97Å; I129-T160 HydrophobicContact CG1-CG2 3.9Å
161	L	98.6	Very high	98.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.6	168.7	-54.9	-174.1	0	0	0	108.3	V70 D127 E128 F139 V141 I159 I165 H167	V70-L161 HydrophobicContact CG1-CD2 3.96Å; V70-L161 HydrophobicContact CG2-CD2 3.92Å; D127-L161 CarbonylContact C-O 3.54Å; D127-L161 WeakPolarHBondContact CA-O 3.38Å; E128-L161 HydrophobicContact CB-CB 4.15Å; E128-L161 HydrophobicContact CG-CD1 4.3Å; E128-L161 PolarHBondContact N-O 3.01Å; E128-L161 PolarHBondContact O-N 2.91Å; F139-L161 HydrophobicContact CD1-CD1 3.8Å; V141-L161 HydrophobicContact CG1-CD1 4.36Å; V141-L161 HydrophobicContact CG1-CD2 3.87Å; I159-L161 HydrophobicContact CD1-CD2 3.77Å; I159-L161 HydrophobicContact CG1-CD2 4.02Å; L161-I165 HydrophobicContact CB-CG2 3.98Å; L161-H167 HydrophobicContact CD1-CB 3.93Å; L161-H167 VanDerWaalsContact CD1-CD2 3.43Å; L161-H167 WeakPolarHBondContact CD1-CD2 3.33Å
162	P	98.1	Very high	98.5	Very high	21 Å²	21	12.8 Å²	12.8	14%	0.136	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-72.2	145.2	-172.8	29.6	-35.8	0	0	0	111.4	L68 G69 D127 G164 I165 Y205	L68-P162 WeakPolarHBondContact O-CG 3.33Å; G69-P162 WeakPolarHBondContact O-CD 3.28Å; G69-P162 WeakPolarHBondContact O-CG 3.43Å; D127-P162 WeakPolarHBondContact OD1-CA 3.36Å; P162-G164 PolarHBondContact O-N 3.15Å; P162-I165 HydrophobicContact CG-CB 4.14Å; P162-I165 HydrophobicContact CG-CD1 4.33Å; P162-I165 HydrophobicContact CG-CG2 4.32Å; P162-I165 WeakPolarHBondContact O-CB 3.47Å; P162-I165 WeakPolarHBondContact O-CG2 3.39Å; P162-I165 PolarHBondContact O-N 3.04Å; P162-I165 VanDerWaalsContact O-N 3.09Å; P162-Y205 HydrophobicContact CB-CD2 4.43Å; P162-Y205 HydrophobicContact CB-CE2 4.35Å; P162-Y205 HydrophobicContact CG-CD2 4.12Å; P162-Y205 HydrophobicContact CG-CE2 3.59Å
163	A	98.1	Very high	98.4	Very high	15 Å²	15	17.7 Å²	17.7	12%	0.124	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	133	173.4	0	0	0	0	0	111.8	L125 D127 I201	L125-A163 WeakPolarHBondContact O-CB 3.42Å; D127-A163 PolarHBondContact OD1-N 3.04Å; A163-I201 HydrophobicContact CB-CD1 3.74Å; A163-I201 HydrophobicContact CB-CG1 3.65Å
164	G	98.3	Very high	98.3	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.01	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-3.1	-178.6	0	0	0	0	0	116.5	H124 P162 R202 Y205	H124-G164 PolarHBondContact O-N 3Å; P162-G164 PolarHBondContact O-N 3.15Å; G164-R202 WeakPolarHBondContact O-CD 3.29Å; G164-R202 PolarHBondContact O-NH1 3.29Å; G164-Y205 WeakPolarHBondContact O-CD1 3.24Å
165	I	98.7	Very high	98.3	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.112	C	C	.	.			trans	-71.8	135.6	168.6	-162.8	169.1	0	0	0	110.6	V70 L123 V141 L161 P162 H167 Y205	V70-I165 HydrophobicContact CG2-CD1 3.86Å; L123-I165 WeakPolarHBondContact CB-O 3.47Å; V141-I165 HydrophobicContact CB-CD1 3.93Å; V141-I165 HydrophobicContact CG1-CD1 4.08Å; L161-I165 HydrophobicContact CB-CG2 3.98Å; P162-I165 HydrophobicContact CG-CB 4.14Å; P162-I165 HydrophobicContact CG-CD1 4.33Å; P162-I165 HydrophobicContact CG-CG2 4.32Å; P162-I165 WeakPolarHBondContact O-CB 3.47Å; P162-I165 WeakPolarHBondContact O-CG2 3.39Å; P162-I165 PolarHBondContact O-N 3.04Å; P162-I165 VanDerWaalsContact O-N 3.09Å; I165-H167 HydrophobicContact CG2-CB 4.45Å; I165-H167 PolarHBondContact O-ND1 2.73Å; I165-Y205 HydrophobicContact CB-CE1 4.11Å; I165-Y205 HydrophobicContact CB-CE2 4.08Å; I165-Y205 VanDerWaalsContact CD1-OH 3.32Å; I165-Y205 WeakPolarHBondContact CD1-OH 3.38Å; I165-Y205 HydrophobicContact CG1-CE1 4.06Å; I165-Y205 HydrophobicContact CG1-CE2 4.38Å; I165-Y205 WeakPolarHBondContact CG1-OH 3.35Å
166	Y	98.9	Very high	98.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.			trans	-76.5	126.1	166.9	-74.9	-55.5	0	0	0	109.4	E121 H122 L123 R142 R194 A196 D197 R202	E121-Y166 HydrophobicContact CG-CD1 4.3Å; E121-Y166 HydrophobicContact CG-CG 4.45Å; E121-Y166 WeakPolarHBondContact OE1-CB 3.19Å; H122-Y166 WeakPolarHBondContact O-CA 3.35Å; L123-Y166 HydrophobicContact CB-CD1 4.16Å; L123-Y166 HydrophobicContact CB-CE1 4.38Å; L123-Y166 HydrophobicContact CD2-CD1 4.18Å; L123-Y166 HydrophobicContact CD2-CE1 3.67Å; L123-Y166 HydrophobicContact CG-CD1 4.45Å; L123-Y166 HydrophobicContact CG-CE1 4.16Å; R142-Y166 PolarHBondContact N-O 2.88Å; Y166-R194 HydrophobicContact CD1-CB 4.01Å; Y166-R194 HydrophobicContact CD1-CG 4.19Å; Y166-R194 HydrophobicContact CE1-CB 3.6Å; Y166-R194 HydrophobicContact CE1-CG 3.62Å; Y166-R194 HydrophobicContact CE2-CG 4.07Å; Y166-A196 HydrophobicContact CE1-CB 4.31Å; Y166-A196 PolarHBondContact OH-N 2.86Å; Y166-D197 WeakPolarHBondContact CE2-OD1 3.21Å; Y166-D197 PolarHBondContact OH-N 3.32Å; Y166-D197 PolarHBondContact OH-OD1 3.08Å; Y166-D197 PolarHBondContact OH-OD2 3.45Å; Y166-R202 VanDerWaalsContact CD2-CZ 3.43Å; Y166-R202 VanDerWaalsContact CE2-CZ 3.49Å
167	H	98.9	Very high	98.3	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.014	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	171.8	-179	64.8	-73.8	0	0	0	111.2	H122 H124 E128 D140 V141 L161 I165	H122-H167 PolarHBondContact N-O 2.88Å; H122-H167 AromaticContact NE2-NE2 3.65Å; H122-H167 PolarHBondContact O-N 2.81Å; H122-H167 PolarHBondContact O-ND1 2.77Å; H124-H167 AromaticContact CD2-CE1 3.5Å; H124-H167 AromaticContact CD2-NE2 3.54Å; H124-H167 AromaticContact NE2-NE2 3.9Å; E128-H167 IonicContact OE2-NE2 3.33Å; D140-H167 CarbonylContact O-C 3.6Å; D140-H167 WeakPolarHBondContact O-CA 3.2Å; D140-H167 VanDerWaalsContact O-CB 3.28Å; D140-H167 WeakPolarHBondContact O-CB 3.43Å; V141-H167 HydrophobicContact CG1-CB 4.02Å; L161-H167 HydrophobicContact CD1-CB 3.93Å; L161-H167 VanDerWaalsContact CD1-CD2 3.43Å; L161-H167 WeakPolarHBondContact CD1-CD2 3.33Å; I165-H167 HydrophobicContact CG2-CB 4.45Å; I165-H167 PolarHBondContact O-ND1 2.73Å
168	R	98.8	Very high	98.3	Very high	34 Å²	34	25.3 Å²	25.3	13%	0.128	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	161.7	170	59.1	-180	-175.6	-169.6	-0.9	110	Y119 F139 D140 W148	Y119-R168 HydrophobicContact CD2-CB 4.5Å; Y119-R168 HydrophobicContact CD2-CG 4.25Å; Y119-R168 HydrophobicContact CE2-CG 4.3Å; Y119-R168 VanDerWaalsContact CZ-CZ 3.45Å; Y119-R168 VanDerWaalsContact O-CB 3.26Å; Y119-R168 WeakPolarHBondContact O-CB 3.46Å; Y119-R168 WeakPolarHBondContact O-CD 3.33Å; Y119-R168 PolarHBondContact OH-NH1 2.83Å; Y119-R168 PolarHBondContact OH-NH2 2.66Å; F139-R168 WeakPolarHBondContact CA-O 3.47Å; D140-R168 HydrophobicContact CB-CG 3.73Å; D140-R168 PolarHBondContact N-O 2.87Å; D140-R168 PolarHBondContact O-N 3.22Å; D140-R168 IonicContact OD2-CZ 2.75Å; D140-R168 IonicContact OD2-NE 3.72Å; D140-R168 PolarHBondContact OD2-NE 3.21Å; D140-R168 IonicContact OD2-NH2 3.5Å; D140-R168 PolarHBondContact OD2-NH2 2.89Å; W148-R168 HydrophobicContact CH2-CG 4.04Å; W148-R168 HydrophobicContact CZ3-CG 4.25Å
169	F	98.8	Very high	98.3	Very high	14 Å²	14	25.6 Å²	25.6	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.3	179	167.4	-86.1	0	0	0	110.7	I103 F118 Y119 A137 Y138 F139 L171 T177	I103-F169 HydrophobicContact CD1-CE1 3.68Å; I103-F169 HydrophobicContact CD1-CZ 3.69Å; F118-F169 CarbonylContact C-O 3.59Å; F118-F169 HydrophobicContact CB-CB 4.18Å; F118-F169 HydrophobicContact CB-CD1 3.81Å; F118-F169 HydrophobicContact CB-CG 4.45Å; F118-F169 HydrophobicContact CD2-CD1 4Å; F118-F169 HydrophobicContact CD2-CE1 4.29Å; F118-F169 HydrophobicContact CG-CD1 4.21Å; F118-F169 PolarHBondContact O-N 3.22Å; Y119-F169 WeakPolarHBondContact CA-O 3.42Å; Y119-F169 PolarHBondContact N-O 3.35Å; A137-F169 HydrophobicContact CB-CD2 4.21Å; A137-F169 HydrophobicContact CB-CE2 3.26Å; A137-F169 HydrophobicContact CB-CZ 3.62Å; Y138-F169 WeakPolarHBondContact O-CA 3.41Å; F139-F169 HydrophobicContact CD1-CB 4.38Å; F139-F169 HydrophobicContact CD1-CD2 4.18Å; F139-F169 HydrophobicContact CD2-CD2 4.26Å; F139-F169 HydrophobicContact CE1-CB 4.28Å; F139-F169 AromaticContact CE1-CD2 3.69Å; F139-F169 HydrophobicContact CE1-CD2 3.69Å; F139-F169 HydrophobicContact CE1-CG 4.42Å; F139-F169 AromaticContact CE2-CD2 3.77Å; F139-F169 HydrophobicContact CE2-CD2 3.77Å; F139-F169 HydrophobicContact CE2-CE2 4.02Å; F139-F169 HydrophobicContact CG-CD2 4.45Å; F139-F169 AromaticContact CZ-CD2 3.45Å; F139-F169 HydrophobicContact CZ-CD2 3.45Å; F139-F169 VanDerWaalsContact CZ-CD2 3.45Å; F139-F169 AromaticContact CZ-CE2 3.89Å; F139-F169 HydrophobicContact CZ-CE2 3.89Å; F169-L171 HydrophobicContact CE1-CD2 4.38Å; F169-L171 HydrophobicContact CE1-CG 4.47Å; F169-L171 HydrophobicContact CZ-CD2 4.09Å; F169-T177 HydrophobicContact CE2-CG2 4.47Å; F169-T177 HydrophobicContact CZ-CG2 3.88Å
170	T	98.6	Very high	98.3	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.4	165.4	-177.1	0	0	0	0	110.2	Q48 Y119 Y138	Q48-T170 PolarHBondContact NE2-OG1 3.48Å; Y119-T170 HydrophobicContact CD2-CG2 4.14Å; Y119-T170 HydrophobicContact CE2-CG2 3.98Å; Y138-T170 HydrophobicContact CD2-CG2 4.11Å; Y138-T170 PolarHBondContact N-O 2.86Å; Y138-T170 PolarHBondContact O-N 2.8Å
171	L	98.4	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	161.8	158.6	-60	169.6	0	0	0	109	R49 I103 Y111 L115 F169 T177	R49-L171 WeakPolarHBondContact CG-O 3.47Å; I103-L171 HydrophobicContact CB-CD2 4.3Å; I103-L171 HydrophobicContact CG2-CD1 3.91Å; I103-L171 HydrophobicContact CG2-CD2 3.95Å; I103-L171 HydrophobicContact CG2-CG 4.17Å; Y111-L171 HydrophobicContact CE2-CD1 4.09Å; Y111-L171 VanDerWaalsContact OH-CD1 3.22Å; Y111-L171 WeakPolarHBondContact OH-CD1 3.22Å; L115-L171 HydrophobicContact CD1-CD1 4.1Å; L115-L171 HydrophobicContact CD2-CD1 4.01Å; L115-L171 HydrophobicContact CD2-CG 4.22Å; F169-L171 HydrophobicContact CE1-CD2 4.38Å; F169-L171 HydrophobicContact CE1-CG 4.47Å; F169-L171 HydrophobicContact CZ-CD2 4.09Å; L171-T177 HydrophobicContact CD2-CG2 3.73Å
172	D	97.7	Very high	98.2	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	13%	0.13	C	C	.	.			trans	-93.6	-167.8	162	59.1	42.3	0	0	0	111.1	R49 Q136 Y138 M174 N175	R49-D172 WeakPolarHBondContact O-CA 3.49Å; Q136-D172 VanDerWaalsContact CB-OD2 3.22Å; Q136-D172 WeakPolarHBondContact CB-OD2 3.41Å; Q136-D172 WeakPolarHBondContact CG-OD2 3.26Å; Q136-D172 PolarHBondContact NE2-OD1 3.26Å; Q136-D172 PolarHBondContact NE2-OD2 2.86Å; Y138-D172 HydrophobicContact CD2-CB 4.06Å; Y138-D172 HydrophobicContact CE2-CB 3.52Å; D172-M174 PolarHBondContact O-N 2.95Å; D172-M174 VanDerWaalsContact O-N 3.1Å; D172-M174 VanDerWaalsContact OD1-CB 3.25Å; D172-M174 WeakPolarHBondContact OD1-CB 3.31Å; D172-M174 PolarHBondContact OD1-N 2.81Å; D172-N175 PolarHBondContact O-N 3.13Å
173	E	97.3	Very high	98.1	Very high	120 Å²	120	26.9 Å²	26.9	56%	0.561	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-17	-177.4	-61.2	-178.7	107.3	0	0	113.7	R49 N175	R49-E173 HydrophobicContact CB-CG 4.3Å; R49-E173 PolarHBondContact O-N 2.89Å; E173-N175 VanDerWaalsContact C-N 3.3Å; E173-N175 PolarHBondContact O-ND2 2.78Å
174	M	96.8	Very high	97.9	Very high	118 Å²	118	30.3 Å²	30.3	58%	0.581	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.6	173.4	-65	-169.1	56.1	0	0	113.5	Q136 D172 Y176	Q136-M174 HydrophobicContact CG-CB 4.35Å; Q136-M174 HydrophobicContact CG-CG 4.33Å; Q136-M174 HydrophobicContact CG-SD 3.75Å; Q136-M174 PolarHBondContact OE1-SD 3.13Å; D172-M174 PolarHBondContact O-N 2.95Å; D172-M174 VanDerWaalsContact O-N 3.1Å; D172-M174 VanDerWaalsContact OD1-CB 3.25Å; D172-M174 WeakPolarHBondContact OD1-CB 3.31Å; D172-M174 PolarHBondContact OD1-N 2.81Å; M174-Y176 PolarHBondContact O-N 2.89Å; M174-Y176 VanDerWaalsContact O-N 3.14Å
175	N	96.9	Very high	97.6	Very high	55 Å²	55	31.7 Å²	31.7	29%	0.294	16%	0.159	S	C	.	.			trans	56.2	29.3	173.8	-66.3	-68.1	0	0	0	115.4	R49 D172 E173	R49-N175 WeakPolarHBondContact CD-OD1 3.46Å; R49-N175 PolarHBondContact NE-OD1 3.1Å; R49-N175 VanDerWaalsContact NE-OD1 3.14Å; R49-N175 PolarHBondContact NH1-OD1 2.88Å; D172-N175 PolarHBondContact O-N 3.13Å; E173-N175 VanDerWaalsContact C-N 3.3Å; E173-N175 PolarHBondContact O-ND2 2.78Å
176	Y	98.3	Very high	97	Very high	65 Å²	65	39.3 Å²	39.3	26%	0.255	20%	0.195	S	C	.	.			trans	-149.7	130	-178.1	171	-100.5	0	0	0	112.2	T102 A104 D134 G135 Q136 M174	T102-Y176 HydrophobicContact CG2-CD2 4.36Å; T102-Y176 HydrophobicContact CG2-CE2 3.74Å; A104-Y176 HydrophobicContact CB-CD2 4.01Å; D134-Y176 HydrophobicContact CB-CE1 3.98Å; D134-Y176 VanDerWaalsContact OD2-CE1 3.29Å; D134-Y176 WeakPolarHBondContact OD2-CE1 3.48Å; D134-Y176 PolarHBondContact OD2-OH 2.9Å; G135-Y176 WeakPolarHBondContact CA-O 3.33Å; Q136-Y176 PolarHBondContact N-O 2.91Å; Q136-Y176 VanDerWaalsContact N-O 3.13Å; M174-Y176 PolarHBondContact O-N 2.89Å; M174-Y176 VanDerWaalsContact O-N 3.14Å
177	T	98.5	Very high	96.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.1	161.4	-169.7	0	0	0	0	111.2	I103 D134 A137 F169 L171	I103-T177 HydrophobicContact CB-CG2 4.04Å; I103-T177 HydrophobicContact CD1-CG2 4.07Å; I103-T177 HydrophobicContact CG1-CG2 4.29Å; I103-T177 PolarHBondContact N-O 3.23Å; I103-T177 PolarHBondContact O-N 3.08Å; D134-T177 WeakPolarHBondContact O-CA 3.3Å; D134-T177 PolarHBondContact O-OG1 3.26Å; D134-T177 VanDerWaalsContact O-OG1 3.1Å; A137-T177 HydrophobicContact CB-CG2 4.26Å; F169-T177 HydrophobicContact CE2-CG2 4.47Å; F169-T177 HydrophobicContact CZ-CG2 3.88Å; L171-T177 HydrophobicContact CD2-CG2 3.73Å
178	K	98.8	Very high	96	Very high	71 Å²	71	44.2 Å²	44.2	31%	0.309	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.5	166.8	-174.7	179.5	-179.7	176.2	0	107.9	I100 I101 L133 D134	I100-K178 HydrophobicContact CG2-CD 4.4Å; I100-K178 HydrophobicContact CG2-CG 3.97Å; I101-K178 WeakPolarHBondContact O-CA 3.27Å; L133-K178 WeakPolarHBondContact CA-O 3.14Å; L133-K178 HydrophobicContact CB-CD 4.45Å; L133-K178 HydrophobicContact CB-CG 4.27Å; L133-K178 PolarHBondContact N-O 3.32Å; D134-K178 HydrophobicContact CB-CB 3.89Å; D134-K178 PolarHBondContact N-O 3.08Å; D134-K178 VanDerWaalsContact N-O 3.13Å; D134-K178 PolarHBondContact O-N 2.84Å
179	A	98.6	Very high	95.4	Very high	6 Å²	6	47 Å²	47	5%	0.05	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137.6	-176.2	0	0	0	0	0	111.1	I100 I101 Y131 I132	I100-A179 WeakPolarHBondContact CA-O 3.23Å; I101-A179 HydrophobicContact CG2-CB 4.2Å; I101-A179 PolarHBondContact N-O 2.92Å; I101-A179 PolarHBondContact O-N 2.75Å; Y131-A179 CarbonylContact O-C 3.58Å; Y131-A179 WeakPolarHBondContact O-CA 3.19Å; I132-A179 HydrophobicContact CD1-CB 4.12Å
180	M	98.7	Very high	95.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	129	158.6	176.4	-173.6	-64.6	0	0	108.2	H80 L86 M98 D99 I100 Y131 L133 L182	H80-M180 HydrophobicContact CB-CE 4.29Å; L86-M180 HydrophobicContact CD2-CE 4.2Å; L86-M180 HydrophobicContact CD2-SD 4.09Å; M98-M180 HydrophobicContact CB-CG 4.2Å; M98-M180 HydrophobicContact CB-SD 4.33Å; M98-M180 HydrophobicContact CE-CE 4.43Å; M98-M180 HydrophobicContact SD-CE 3.83Å; M98-M180 HydrophobicContact SD-SD 3.77Å; D99-M180 CarbonylContact O-C 3.59Å; D99-M180 VanDerWaalsContact O-CA 3.27Å; D99-M180 WeakPolarHBondContact O-CA 3.47Å; I100-M180 HydrophobicContact CG1-CB 4.46Å; Y131-M180 HydrophobicContact CD1-CB 4.29Å; Y131-M180 HydrophobicContact CD1-SD 4.19Å; Y131-M180 PolarHBondContact N-O 3.11Å; Y131-M180 PolarHBondContact O-N 3.32Å; L133-M180 HydrophobicContact CD1-CB 4.11Å; L133-M180 HydrophobicContact CD2-CB 4.29Å; L133-M180 HydrophobicContact CG-CB 4.19Å; M180-L182 HydrophobicContact CG-CD1 3.93Å; M180-L182 HydrophobicContact CG-CG 4.14Å; M180-L182 HydrophobicContact SD-CD1 4.07Å; M180-L182 HydrophobicContact SD-CD2 4.17Å; M180-L182 HydrophobicContact SD-CG 4.14Å
181	R	98.4	Very high	95.1	Very high	44 Å²	44	53.7 Å²	53.7	17%	0.166	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.8	174.6	-45.9	-175.4	-69.4	169.7	-1.2	107.7	M98 D99 I101 F183 W189	M98-R181 WeakPolarHBondContact CA-O 3.29Å; D99-R181 PolarHBondContact N-O 2.89Å; D99-R181 VanDerWaalsContact N-O 3.08Å; D99-R181 PolarHBondContact O-N 2.87Å; D99-R181 WeakPolarHBondContact OD1-CB 3.3Å; D99-R181 IonicContact OD1-CZ 3.46Å; D99-R181 IonicContact OD1-NE 3.76Å; D99-R181 PolarHBondContact OD1-NE 3.24Å; D99-R181 IonicContact OD1-NH2 2.87Å; D99-R181 PolarHBondContact OD1-NH2 2.95Å; D99-R181 IonicContact OD2-CZ 2.68Å; D99-R181 IonicContact OD2-NE 2.73Å; D99-R181 IonicContact OD2-NH2 3.87Å; D99-R181 PolarHBondContact OD2-NH2 3.31Å; I101-R181 HydrophobicContact CG2-CG 3.87Å; R181-F183 HydrophobicContact CB-CE2 4.13Å; R181-W189 HydrophobicContact CB-CH2 3.58Å; R181-W189 HydrophobicContact CB-CZ3 4.14Å; R181-W189 HydrophobicContact CG-CH2 4.08Å; R181-W189 HydrophobicContact CG-CZ3 4.4Å; R181-W189 VanDerWaalsContact NH2-CZ2 3.34Å
182	L	97.8	Very high	95	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	147.4	-179	-59.2	99.3	0	0	0	110.5	L86 R90 Y95 Y97 M98 I129 L158 M180	L86-L182 HydrophobicContact CD1-CD2 4.41Å; R90-L182 HydrophobicContact CG-CD2 3.61Å; Y95-L182 HydrophobicContact CD2-CB 4.34Å; Y95-L182 HydrophobicContact CD2-CD2 4.03Å; Y95-L182 HydrophobicContact CG-CB 4.28Å; Y95-L182 HydrophobicContact CG-CD2 4.44Å; Y97-L182 WeakPolarHBondContact O-CA 3.38Å; M98-L182 HydrophobicContact CB-CG 4.37Å; I129-L182 HydrophobicContact CB-CB 4Å; I129-L182 WeakPolarHBondContact CB-O 3.17Å; I129-L182 VanDerWaalsContact CD1-O 3.28Å; I129-L182 WeakPolarHBondContact CD1-O 3.4Å; I129-L182 HydrophobicContact CG2-CB 3.85Å; I129-L182 HydrophobicContact CG2-CD1 3.9Å; I129-L182 HydrophobicContact CG2-CG 4.44Å; I129-L182 PolarHBondContact O-N 3.11Å; L158-L182 HydrophobicContact CD1-CD1 4.45Å; M180-L182 HydrophobicContact CG-CD1 3.93Å; M180-L182 HydrophobicContact CG-CG 4.14Å; M180-L182 HydrophobicContact SD-CD1 4.07Å; M180-L182 HydrophobicContact SD-CD2 4.17Å; M180-L182 HydrophobicContact SD-CG 4.14Å
183	F	95.9	Very high	95.1	Very high	10 Å²	10	61.1 Å²	61.1	4%	0.044	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.3	-178.6	-75.1	-97.3	0	0	0	111.7	Y95 S96 Y97 R181 P187 W189	Y95-F183 CarbonylContact C-O 3.51Å; Y95-F183 WeakPolarHBondContact CA-O 3.45Å; S96-F183 PolarHBondContact N-O 3.06Å; Y97-F183 HydrophobicContact CD1-CB 4.32Å; Y97-F183 HydrophobicContact CD1-CD2 4.16Å; Y97-F183 PolarHBondContact N-O 3.39Å; Y97-F183 VanDerWaalsContact N-O 3.15Å; Y97-F183 PolarHBondContact O-N 3.19Å; R181-F183 HydrophobicContact CB-CE2 4.13Å; F183-P187 HydrophobicContact CB-CB 4.3Å; F183-P187 HydrophobicContact CD1-CB 3.8Å; F183-P187 HydrophobicContact CD2-CB 3.83Å; F183-P187 HydrophobicContact CE1-CB 4.14Å; F183-P187 HydrophobicContact CE2-CB 4.29Å; F183-P187 HydrophobicContact CG-CB 3.65Å; F183-P187 HydrophobicContact CZ-CB 4.41Å; F183-W189 AromaticContact CD2-CH2 3.8Å; F183-W189 HydrophobicContact CD2-CH2 3.8Å; F183-W189 HydrophobicContact CD2-CZ2 4.11Å; F183-W189 HydrophobicContact CD2-CZ3 4.39Å; F183-W189 HydrophobicContact CE1-CE3 4.33Å; F183-W189 HydrophobicContact CE1-CH2 4.47Å; F183-W189 HydrophobicContact CE1-CZ3 4.23Å; F183-W189 HydrophobicContact CE2-CE3 4.02Å; F183-W189 AromaticContact CE2-CH2 2.89Å; F183-W189 HydrophobicContact CE2-CH2 2.89Å; F183-W189 AromaticContact CE2-CZ2 3.57Å; F183-W189 HydrophobicContact CE2-CZ2 3.57Å; F183-W189 AromaticContact CE2-CZ3 3.17Å; F183-W189 HydrophobicContact CE2-CZ3 3.17Å; F183-W189 HydrophobicContact CZ-CD2 4.11Å; F183-W189 AromaticContact CZ-CE3 3.48Å; F183-W189 HydrophobicContact CZ-CE3 3.48Å; F183-W189 VanDerWaalsContact CZ-CE3 3.48Å; F183-W189 AromaticContact CZ-CH2 3.31Å; F183-W189 HydrophobicContact CZ-CH2 3.31Å; F183-W189 AromaticContact CZ-CZ2 3.94Å; F183-W189 HydrophobicContact CZ-CZ2 3.94Å; F183-W189 AromaticContact CZ-CZ3 3.04Å; F183-W189 HydrophobicContact CZ-CZ3 3.04Å
184	V	93.1	Very high	95.1	Very high	87 Å²	87	58.6 Å²	58.6	53%	0.527	29%	0.291	S	S	.	.	S	Bend	trans	-84.5	109.1	163.1	-178.5	0	0	0	0	107.8	Y95	Y95-V184 HydrophobicContact CD1-CG2 3.96Å; Y95-V184 HydrophobicContact CE1-CG2 4.34Å
185	G	91.5	Very high	95.2	Very high	29 Å²	29	58.5 Å²	58.5	30%	0.299	30%	0.299	S	S	.	.	S	Bend	trans	77.4	-158.3	-176	0	0	0	0	0	113.6	S96 Y97	S96-G185 WeakPolarHBondContact OG-CA 3.27Å; S96-G185 PolarHBondContact OG-N 2.96Å; Y97-G185 WeakPolarHBondContact CB-O 3.25Å
186	E	86.6	Confident	95.2	Very high	162 Å²	162	56.6 Å²	56.6	76%	0.757	29%	0.292	S	S	*	.	S	Bend	trans	-69.8	135.5	177.8	-68.7	-63.7	148.6	0	0	110.7
187	P	88.1	Confident	95.1	Very high	28 Å²	28	56.9 Å²	56.9	18%	0.182	30%	0.297	C	S	.	.			trans	-74.7	132.9	-171.1	31.8	-37.8	0	0	0	112.7	Y97 F183 W189	Y97-P187 HydrophobicContact CD1-CB 4.2Å; Y97-P187 HydrophobicContact CD1-CG 3.95Å; Y97-P187 HydrophobicContact CD2-CG 4.48Å; Y97-P187 HydrophobicContact CE1-CB 4.19Å; Y97-P187 HydrophobicContact CE1-CG 3.65Å; Y97-P187 HydrophobicContact CE2-CG 4.2Å; Y97-P187 HydrophobicContact CG-CG 4.36Å; F183-P187 HydrophobicContact CB-CB 4.3Å; F183-P187 HydrophobicContact CD1-CB 3.8Å; F183-P187 HydrophobicContact CD2-CB 3.83Å; F183-P187 HydrophobicContact CE1-CB 4.14Å; F183-P187 HydrophobicContact CE2-CB 4.29Å; F183-P187 HydrophobicContact CG-CB 3.65Å; F183-P187 HydrophobicContact CZ-CB 4.41Å; P187-W189 HydrophobicContact CB-CD2 4.49Å; P187-W189 HydrophobicContact CB-CZ2 3.73Å; P187-W189 HydrophobicContact CG-CZ2 4.28Å
188	V	89.4	Confident	95	Very high	77 Å²	77	63.6 Å²	63.6	47%	0.467	33%	0.333	S	S	.	.			trans	-114.5	100.7	169.3	178.2	0	0	0	0	108.9	K190	V188-K190 HydrophobicContact CG1-CB 4.14Å; V188-K190 PolarHBondContact O-N 2.91Å
189	W	86.3	Confident	94.9	Very high	93 Å²	93	61.7 Å²	61.7	35%	0.352	33%	0.329	S	S	.	.			trans	-80.5	7.1	-175.2	-56.9	103.5	0	0	0	115	R181 F183 P187 A191	R181-W189 HydrophobicContact CB-CH2 3.58Å; R181-W189 HydrophobicContact CB-CZ3 4.14Å; R181-W189 HydrophobicContact CG-CH2 4.08Å; R181-W189 HydrophobicContact CG-CZ3 4.4Å; R181-W189 VanDerWaalsContact NH2-CZ2 3.34Å; F183-W189 AromaticContact CD2-CH2 3.8Å; F183-W189 HydrophobicContact CD2-CH2 3.8Å; F183-W189 HydrophobicContact CD2-CZ2 4.11Å; F183-W189 HydrophobicContact CD2-CZ3 4.39Å; F183-W189 HydrophobicContact CE1-CE3 4.33Å; F183-W189 HydrophobicContact CE1-CH2 4.47Å; F183-W189 HydrophobicContact CE1-CZ3 4.23Å; F183-W189 HydrophobicContact CE2-CE3 4.02Å; F183-W189 AromaticContact CE2-CH2 2.89Å; F183-W189 HydrophobicContact CE2-CH2 2.89Å; F183-W189 AromaticContact CE2-CZ2 3.57Å; F183-W189 HydrophobicContact CE2-CZ2 3.57Å; F183-W189 AromaticContact CE2-CZ3 3.17Å; F183-W189 HydrophobicContact CE2-CZ3 3.17Å; F183-W189 HydrophobicContact CZ-CD2 4.11Å; F183-W189 AromaticContact CZ-CE3 3.48Å; F183-W189 HydrophobicContact CZ-CE3 3.48Å; F183-W189 VanDerWaalsContact CZ-CE3 3.48Å; F183-W189 AromaticContact CZ-CH2 3.31Å; F183-W189 HydrophobicContact CZ-CH2 3.31Å; F183-W189 AromaticContact CZ-CZ2 3.94Å; F183-W189 HydrophobicContact CZ-CZ2 3.94Å; F183-W189 AromaticContact CZ-CZ3 3.04Å; F183-W189 HydrophobicContact CZ-CZ3 3.04Å; P187-W189 HydrophobicContact CB-CD2 4.49Å; P187-W189 HydrophobicContact CB-CZ2 3.73Å; P187-W189 HydrophobicContact CG-CZ2 4.28Å; W189-A191 PolarHBondContact O-N 2.91Å; W189-A191 VanDerWaalsContact O-N 3.16Å
190	K	93.2	Very high	94.9	Very high	119 Å²	119	67 Å²	67	52%	0.517	36%	0.357	S	S	.	.			trans	-71.5	116	-169.7	-173.7	175.3	172.7	-164.2	0	110.1	H124 V188 Y192	H124-K190 PolarHBondContact ND1-O 2.89Å; V188-K190 HydrophobicContact CG1-CB 4.14Å; V188-K190 PolarHBondContact O-N 2.91Å; K190-Y192 HydrophobicContact CB-CE2 4.37Å; K190-Y192 HydrophobicContact CD-CE1 4.33Å; K190-Y192 HydrophobicContact CD-CE2 4.02Å; K190-Y192 WeakPolarHBondContact CD-OH 3.44Å; K190-Y192 VanDerWaalsContact CE-CZ 3.47Å; K190-Y192 WeakPolarHBondContact CE-OH 3.43Å; K190-Y192 HydrophobicContact CG-CE2 3.94Å; K190-Y192 PolarHBondContact NZ-OH 3.23Å
191	A	95.9	Very high	94.8	Very high	38 Å²	38	68.9 Å²	68.9	31%	0.314	37%	0.366	S	S	.	.			trans	-82.8	141.1	169.1	0	0	0	0	0	110.5	H122 W189	H122-A191 HydrophobicContact CB-CB 4.02Å; W189-A191 PolarHBondContact O-N 2.91Å; W189-A191 VanDerWaalsContact O-N 3.16Å
192	Y	97.9	Very high	94.8	Very high	77 Å²	77	68.2 Å²	68.2	30%	0.302	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	103.7	169.1	-65	-96.3	0	0	0	107.8	H122 L123 L125 K190	H122-Y192 CarbonylContact C-O 3.46Å; H122-Y192 VanDerWaalsContact CA-O 3.3Å; H122-Y192 WeakPolarHBondContact CA-O 3.37Å; H122-Y192 WeakPolarHBondContact CB-O 3.29Å; L123-Y192 HydrophobicContact CD1-CD2 4.34Å; L123-Y192 HydrophobicContact CD1-CG 4.47Å; L123-Y192 PolarHBondContact N-O 2.97Å; L123-Y192 PolarHBondContact O-N 2.77Å; L125-Y192 HydrophobicContact CD1-CE2 3.9Å; L125-Y192 HydrophobicContact CD2-CD2 4.23Å; L125-Y192 HydrophobicContact CD2-CE2 3.94Å; L125-Y192 HydrophobicContact CG-CD2 4.27Å; L125-Y192 HydrophobicContact CG-CE2 3.64Å; K190-Y192 HydrophobicContact CB-CE2 4.37Å; K190-Y192 HydrophobicContact CD-CE1 4.33Å; K190-Y192 HydrophobicContact CD-CE2 4.02Å; K190-Y192 WeakPolarHBondContact CD-OH 3.44Å; K190-Y192 VanDerWaalsContact CE-CZ 3.47Å; K190-Y192 WeakPolarHBondContact CE-OH 3.43Å; K190-Y192 HydrophobicContact CG-CE2 3.94Å; K190-Y192 PolarHBondContact NZ-OH 3.23Å
193	N	98.4	Very high	94.8	Very high	83 Å²	83	73.3 Å²	73.3	44%	0.444	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	145.3	179.4	-61.4	-1.6	0	0	0	109.9	E120 E121 P195	E120-N193 HydrophobicContact CG-CB 4.28Å; E120-N193 WeakPolarHBondContact CG-ND2 3.41Å; E121-N193 WeakPolarHBondContact O-CA 3.37Å; N193-P195 CarbonylContact O-C 3.51Å
194	R	98.4	Very high	94.9	Very high	68 Å²	68	79.8 Å²	79.8	26%	0.257	41%	0.414	S	S	.	.	S	Bend	trans	-64.7	136.8	174.1	-169.4	169.4	-170.9	178.5	-4.6	109.8	E121 D146 Y166	E121-R194 HydrophobicContact CB-CB 4.5Å; E121-R194 HydrophobicContact CG-CB 3.98Å; E121-R194 PolarHBondContact O-N 2.84Å; E121-R194 VanDerWaalsContact OE1-CD 3.27Å; E121-R194 WeakPolarHBondContact OE1-CD 3.26Å; E121-R194 IonicContact OE1-CZ 3.46Å; E121-R194 IonicContact OE1-NE 3.93Å; E121-R194 IonicContact OE1-NH1 3.35Å; E121-R194 PolarHBondContact OE1-NH1 2.84Å; E121-R194 IonicContact OE2-NH1 3.22Å; D146-R194 IonicContact OD1-CZ 3.39Å; D146-R194 IonicContact OD1-NH1 2.78Å; D146-R194 PolarHBondContact OD1-NH1 3.26Å; D146-R194 IonicContact OD1-NH2 2.73Å; D146-R194 PolarHBondContact OD1-NH2 2.68Å; D146-R194 IonicContact OD2-CZ 3.75Å; D146-R194 IonicContact OD2-NH1 2.65Å; D146-R194 PolarHBondContact OD2-NH1 2.79Å; D146-R194 IonicContact OD2-NH2 3.74Å; D146-R194 PolarHBondContact OD2-NH2 3.33Å; Y166-R194 HydrophobicContact CD1-CB 4.01Å; Y166-R194 HydrophobicContact CD1-CG 4.19Å; Y166-R194 HydrophobicContact CE1-CB 3.6Å; Y166-R194 HydrophobicContact CE1-CG 3.62Å; Y166-R194 HydrophobicContact CE2-CG 4.07Å
195	P	97.9	Very high	95.2	Very high	115 Å²	115	76.1 Å²	76.1	75%	0.747	39%	0.391	S	S	*	.	P	Polyproline II helix	cis	-79.2	135.4	3.4	32.2	-34.6	0	0	0	114.1	N193	N193-P195 CarbonylContact O-C 3.51Å
196	A	97.3	Very high	95.4	Very high	16 Å²	16	77.4 Å²	77.4	13%	0.132	39%	0.393	C	S	.	.			trans	-137.4	26.2	174.9	0	0	0	0	0	112	L123 Y166 D198 S199	L123-A196 HydrophobicContact CD1-CB 4.42Å; L123-A196 HydrophobicContact CD2-CB 3.78Å; L123-A196 HydrophobicContact CG-CB 4Å; Y166-A196 HydrophobicContact CE1-CB 4.31Å; Y166-A196 PolarHBondContact OH-N 2.86Å; A196-D198 VanDerWaalsContact C-N 3.28Å; A196-D198 PolarHBondContact O-N 3.4Å; A196-S199 WeakPolarHBondContact O-CB 3.43Å; A196-S199 PolarHBondContact O-N 3.38Å; A196-S199 PolarHBondContact O-OG 2.73Å
197	D	97	Very high	95.9	Very high	70 Å²	70	72.4 Å²	72.4	37%	0.374	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.1	-170.6	-58.2	-66	0	0	0	114.2	Y166 S199 R202	Y166-D197 WeakPolarHBondContact CE2-OD1 3.21Å; Y166-D197 PolarHBondContact OH-N 3.32Å; Y166-D197 PolarHBondContact OH-OD1 3.08Å; Y166-D197 PolarHBondContact OH-OD2 3.45Å; D197-S199 PolarHBondContact O-N 2.94Å; D197-R202 IonicContact OD1-NE 3.79Å
198	D	96.3	Very high	96.2	Very high	141 Å²	141	74.4 Å²	74.4	75%	0.754	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-13	178.6	-71.3	-40.3	0	0	0	113.7	A196 K203	A196-D198 VanDerWaalsContact C-N 3.28Å; A196-D198 PolarHBondContact O-N 3.4Å; D198-K203 WeakPolarHBondContact O-CE 3.44Å; D198-K203 PolarHBondContact O-NZ 3.34Å
199	S	96.8	Very high	96.3	Very high	32 Å²	32	71.7 Å²	71.7	22%	0.224	38%	0.377	C	S	.	.	S	Bend	trans	-67.4	140.3	-179.9	68.8	0	0	0	0	112.3	A196 D197 I201 R202 K203	A196-S199 WeakPolarHBondContact O-CB 3.43Å; A196-S199 PolarHBondContact O-N 3.38Å; A196-S199 PolarHBondContact O-OG 2.73Å; D197-S199 PolarHBondContact O-N 2.94Å; S199-I201 PolarHBondContact O-N 3.17Å; S199-R202 PolarHBondContact O-N 2.94Å; S199-R202 WeakPolarHBondContact OG-CB 2.96Å; S199-R202 PolarHBondContact OG-N 3.24Å; S199-K203 PolarHBondContact O-N 2.96Å; S199-K203 VanDerWaalsContact O-N 3.13Å
200	D	97.9	Very high	95.9	Very high	118 Å²	118	75.2 Å²	75.2	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-61.1	-33.4	179.2	-70.6	-22.9	0	0	0	112.2	K203 K204	D200-K203 PolarHBondContact O-N 3.3Å; D200-K204 WeakPolarHBondContact O-CB 3.48Å; D200-K204 VanDerWaalsContact O-CG 3.27Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å; D200-K204 PolarHBondContact O-N 3.41Å
201	I	97.6	Very high	94.7	Very high	39 Å²	39	73.2 Å²	73.2	20%	0.2	41%	0.411	C	S	.	.	H	α-helix	trans	-66.5	-41.5	178.5	-162.3	62.2	0	0	0	111.4	L123 L125 A163 S199 K204 Y205	L123-I201 HydrophobicContact CD1-CG2 4.19Å; L125-I201 HydrophobicContact CD2-CB 4.3Å; L125-I201 HydrophobicContact CD2-CG2 3.5Å; L125-I201 VanDerWaalsContact CD2-CG2 3.5Å; A163-I201 HydrophobicContact CB-CD1 3.74Å; A163-I201 HydrophobicContact CB-CG1 3.65Å; S199-I201 PolarHBondContact O-N 3.17Å; I201-K204 PolarHBondContact O-N 2.9Å; I201-Y205 WeakPolarHBondContact O-CB 3.4Å; I201-Y205 PolarHBondContact O-N 3.44Å
202	R	98.1	Very high	92.8	Very high	30 Å²	30	75.5 Å²	75.5	11%	0.113	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-43.1	178	178.4	55.7	-179	176.6	5	110.8	L123 G164 Y166 D197 S199 K204 Y205 V206	L123-R202 HydrophobicContact CD2-CB 3.96Å; L123-R202 HydrophobicContact CD2-CG 4.22Å; G164-R202 WeakPolarHBondContact O-CD 3.29Å; G164-R202 PolarHBondContact O-NH1 3.29Å; Y166-R202 VanDerWaalsContact CD2-CZ 3.43Å; Y166-R202 VanDerWaalsContact CE2-CZ 3.49Å; D197-R202 IonicContact OD1-NE 3.79Å; S199-R202 PolarHBondContact O-N 2.94Å; S199-R202 WeakPolarHBondContact OG-CB 2.96Å; S199-R202 PolarHBondContact OG-N 3.24Å; R202-K204 PolarHBondContact O-N 2.67Å; R202-Y205 VanDerWaalsContact NH1-CD1 3.29Å; R202-Y205 PolarHBondContact O-N 3.22Å; R202-V206 WeakPolarHBondContact O-CG2 3.42Å; R202-V206 PolarHBondContact O-N 3.2Å
203	K	97.9	Very high	92.5	Very high	108 Å²	108	75.4 Å²	75.4	47%	0.47	43%	0.43	S	S	.	.	H	α-helix	trans	-60.1	-44.1	175.2	-69.4	167.2	179.6	159.3	0	111.8	D198 S199 D200 A207	D198-K203 WeakPolarHBondContact O-CE 3.44Å; D198-K203 PolarHBondContact O-NZ 3.34Å; S199-K203 PolarHBondContact O-N 2.96Å; S199-K203 VanDerWaalsContact O-N 3.13Å; D200-K203 PolarHBondContact O-N 3.3Å; K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.03Å
204	K	97.9	Very high	92.2	Very high	145 Å²	145	75 Å²	75	63%	0.63	43%	0.429	S	S	*	.	H	α-helix	trans	-62.2	-45.2	174.6	-74	171.7	-176.7	176.3	0	112	D200 I201 R202 A207 S208	D200-K204 WeakPolarHBondContact O-CB 3.48Å; D200-K204 VanDerWaalsContact O-CG 3.27Å; D200-K204 WeakPolarHBondContact O-CG 3.46Å; D200-K204 PolarHBondContact O-N 3.41Å; I201-K204 PolarHBondContact O-N 2.9Å; R202-K204 PolarHBondContact O-N 2.67Å; K204-A207 PolarHBondContact O-N 3.37Å; K204-S208 PolarHBondContact O-N 3.4Å
205	Y	98	Very high	91.9	Very high	10 Å²	10	75.4 Å²	75.4	4%	0.039	44%	0.439	C	S	.	.	H	α-helix	trans	-58.5	-52.6	176.9	173.8	-105.7	0	0	0	111.4	L68 P162 G164 I165 I201 R202 A207 S208 L209	L68-Y205 VanDerWaalsContact O-CE2 3.3Å; L68-Y205 WeakPolarHBondContact O-CE2 3.33Å; L68-Y205 PolarHBondContact O-OH 3.46Å; P162-Y205 HydrophobicContact CB-CD2 4.43Å; P162-Y205 HydrophobicContact CB-CE2 4.35Å; P162-Y205 HydrophobicContact CG-CD2 4.12Å; P162-Y205 HydrophobicContact CG-CE2 3.59Å; G164-Y205 WeakPolarHBondContact O-CD1 3.24Å; I165-Y205 HydrophobicContact CB-CE1 4.11Å; I165-Y205 HydrophobicContact CB-CE2 4.08Å; I165-Y205 VanDerWaalsContact CD1-OH 3.32Å; I165-Y205 WeakPolarHBondContact CD1-OH 3.38Å; I165-Y205 HydrophobicContact CG1-CE1 4.06Å; I165-Y205 HydrophobicContact CG1-CE2 4.38Å; I165-Y205 WeakPolarHBondContact CG1-OH 3.35Å; I201-Y205 WeakPolarHBondContact O-CB 3.4Å; I201-Y205 PolarHBondContact O-N 3.44Å; R202-Y205 VanDerWaalsContact NH1-CD1 3.29Å; R202-Y205 PolarHBondContact O-N 3.22Å; Y205-A207 VanDerWaalsContact C-N 3.31Å; Y205-A207 PolarHBondContact O-N 3.46Å; Y205-S208 WeakPolarHBondContact O-CB 3.07Å; Y205-S208 PolarHBondContact O-N 3Å; Y205-S208 PolarHBondContact O-OG 2.81Å; Y205-L209 HydrophobicContact CD1-CD1 4.37Å; Y205-L209 HydrophobicContact CE1-CD1 3.69Å; Y205-L209 HydrophobicContact CE1-CD2 4.49Å; Y205-L209 HydrophobicContact CE1-CG 4.23Å; Y205-L209 HydrophobicContact CE2-CD2 4.07Å; Y205-L209 HydrophobicContact CE2-CG 4.47Å; Y205-L209 PolarHBondContact O-N 3.29Å
206	V	97	Very high	91.5	Very high	56 Å²	56	73.1 Å²	73.1	34%	0.339	42%	0.421	S	S	.	.	H	α-helix	trans	-59.2	-41.1	178.7	172.8	0	0	0	0	111.8	R202 S208 L209	R202-V206 WeakPolarHBondContact O-CG2 3.42Å; R202-V206 PolarHBondContact O-N 3.2Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 3.3Å; V206-L209 WeakPolarHBondContact O-CB 3.28Å; V206-L209 PolarHBondContact O-N 3.26Å
207	A	96.1	Very high	91.2	Very high	58 Å²	58	76.6 Å²	76.6	48%	0.479	44%	0.439	S	S	.	.	H	α-helix	trans	-62.4	-36.6	175.3	0	0	0	0	0	112.3	K203 K204 Y205 L209 Q210	K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.03Å; K204-A207 PolarHBondContact O-N 3.37Å; Y205-A207 VanDerWaalsContact C-N 3.31Å; Y205-A207 PolarHBondContact O-N 3.46Å; A207-L209 VanDerWaalsContact C-N 3.27Å; A207-L209 PolarHBondContact O-N 3.47Å; A207-Q210 PolarHBondContact O-N 3.4Å
208	S	94.9	Very high	90.8	Very high	69 Å²	69	77.1 Å²	77.1	48%	0.483	44%	0.443	S	S	.	.	H	α-helix	trans	-64.6	-30.6	177.3	81.5	0	0	0	0	113	K204 Y205 V206 Q210 G211	K204-S208 PolarHBondContact O-N 3.4Å; Y205-S208 WeakPolarHBondContact O-CB 3.07Å; Y205-S208 PolarHBondContact O-N 3Å; Y205-S208 PolarHBondContact O-OG 2.81Å; V206-S208 VanDerWaalsContact C-N 3.29Å; V206-S208 PolarHBondContact O-N 3.3Å; S208-Q210 VanDerWaalsContact C-N 3.27Å; S208-Q210 PolarHBondContact O-N 2.7Å; S208-G211 PolarHBondContact O-N 2.99Å
209	L	91.2	Very high	90.4	Very high	21 Å²	21	72.5 Å²	72.5	11%	0.11	42%	0.421	C	S	.	.	H	α-helix	trans	-70.3	-20	177.3	-59.5	-176.5	0	0	0	113.7	K67 K144 Y205 V206 A207 G211 S212	K67-L209 WeakPolarHBondContact O-CD2 3.49Å; K144-L209 WeakPolarHBondContact CE-O 3.36Å; K144-L209 HydrophobicContact CG-CD1 4.41Å; K144-L209 PolarHBondContact NZ-O 2.84Å; Y205-L209 HydrophobicContact CD1-CD1 4.37Å; Y205-L209 HydrophobicContact CE1-CD1 3.69Å; Y205-L209 HydrophobicContact CE1-CD2 4.49Å; Y205-L209 HydrophobicContact CE1-CG 4.23Å; Y205-L209 HydrophobicContact CE2-CD2 4.07Å; Y205-L209 HydrophobicContact CE2-CG 4.47Å; Y205-L209 PolarHBondContact O-N 3.29Å; V206-L209 WeakPolarHBondContact O-CB 3.28Å; V206-L209 PolarHBondContact O-N 3.26Å; A207-L209 VanDerWaalsContact C-N 3.27Å; A207-L209 PolarHBondContact O-N 3.47Å; L209-G211 VanDerWaalsContact C-N 3.33Å; L209-S212 PolarHBondContact O-OG 2.89Å
210	Q	79.3	Confident	89.9	Confident	166 Å²	166	75.6 Å²	75.6	78%	0.776	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.7	178.9	-63.6	178	-2.6	0	0	112.4	A207 S208	A207-Q210 PolarHBondContact O-N 3.4Å; S208-Q210 VanDerWaalsContact C-N 3.27Å; S208-Q210 PolarHBondContact O-N 2.7Å
211	G	66.1	Low	89.3	Confident	78 Å²	78	72.1 Å²	72.1	80%	0.804	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	1.3	177.4	0	0	0	0	0	114.8	S208 L209	S208-G211 PolarHBondContact O-N 2.99Å; L209-G211 VanDerWaalsContact C-N 3.33Å
212	S	57	Low	88.5	Confident	85 Å²	85	75.1 Å²	75.1	59%	0.594	44%	0.44	S	S	*	.			trans	-109	0	-172.9	69.8	0	0	0	0	115.4	K67 K144 L209	K67-S212 PolarHBondContact O-OG 2.94Å; K144-S212 PolarHBondContact NZ-O 3.38Å; K144-S212 PolarHBondContact NZ-OG 3.29Å; K144-S212 VanDerWaalsContact NZ-OG 3.08Å; L209-S212 PolarHBondContact O-OG 2.89Å

Retrieved 212 of 212 residues in 131.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).