A0A060WFK4_ONCMY Loading...

EEF1A lysine methyltransferase 2

Protein-lysine methyltransferase that selectively catalyzes the trimethylation of EEF1A at 'Lys-318'.

AlphaFold DB , UniProt , Accession A0A060WFK4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene EEF1AKMT2, Length 235 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	33.7	Very low	248 Å²	248	151.1 Å²	151.1	100%	1.222	84%	0.843	S	S	*	*				0	122.1	0	-126.9	167.4	-179.9	0	0	106
2	E	32.5	Very low	33.5	Very low	186 Å²	186	150.5 Å²	150.5	87%	0.869	84%	0.837	S	S	*	*			trans	-68.5	147.7	-149.8	-70.6	153	143.4	0	0	115.5
3	S	28.2	Very low	33.9	Very low	115 Å²	115	150.5 Å²	150.5	80%	0.804	84%	0.844	S	S	*	*			trans	-67.1	125	162.9	45.7	0	0	0	0	110.2	E5	S3-E5 PolarHBondContact O-N 3.38Å
4	I	36.5	Very low	34.3	Very low	160 Å²	160	145.8 Å²	145.8	82%	0.821	83%	0.826	S	S	*	*			trans	-86.3	109	172.7	-64.2	171.6	0	0	0	108.1
5	E	34.1	Very low	34.4	Very low	171 Å²	171	149.5 Å²	149.5	80%	0.799	83%	0.829	S	S	*	*			trans	-66.4	131.9	159.6	-75.6	179.2	147.8	0	0	109.3	S3	S3-E5 PolarHBondContact O-N 3.38Å
6	C	29.6	Very low	34.8	Very low	105 Å²	105	150.6 Å²	150.6	71%	0.709	83%	0.831	S	S	*	*			trans	-116.1	90.4	165.1	-160.4	0	0	0	0	108.5	R8	C6-R8 PolarHBondContact O-N 3.49Å
7	T	38.2	Very low	34.9	Very low	126 Å²	126	149.4 Å²	149.4	77%	0.773	82%	0.823	S	S	*	*			trans	-74.2	107.2	167.1	41.6	0	0	0	0	108.8
8	R	38.6	Very low	35.1	Very low	227 Å²	227	151.2 Å²	151.2	86%	0.857	82%	0.824	S	S	*	*			trans	-111.6	98.4	160.9	-76.2	-172.8	178.1	-175.7	-0.2	107.7	C6	C6-R8 PolarHBondContact O-N 3.49Å
9	G	30.6	Very low	35.4	Very low	75 Å²	75	149.2 Å²	149.2	77%	0.773	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-62.1	132.9	173.6	0	0	0	0	0	111
10	C	30.9	Very low	36.3	Very low	124 Å²	124	148.2 Å²	148.2	84%	0.838	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-61.9	138	162.9	-71.3	0	0	0	0	109.2	N12	C10-N12 PolarHBondContact O-N 3.07Å
11	P	34	Very low	37.4	Very low	125 Å²	125	142 Å²	142	81%	0.812	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.8	178	27.9	-32.3	0	0	0	110.8	T13	P11-T13 PolarHBondContact O-N 3.26Å
12	N	31.4	Very low	38.3	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	75%	0.748	S	S	*	*			trans	8.9	95	160.1	-81.2	-19.1	0	0	0	117.4	C10 S14	C10-N12 PolarHBondContact O-N 3.07Å; N12-S14 PolarHBondContact O-N 2.75Å; N12-S14 VanDerWaalsContact O-N 3.09Å
13	T	38.5	Very low	39.8	Very low	151 Å²	151	130.7 Å²	130.7	93%	0.926	72%	0.716	S	S	*	*			trans	-72.5	81.9	148.7	49	0	0	0	0	108.5	P11	P11-T13 PolarHBondContact O-N 3.26Å
14	S	39.7	Very low	41.6	Very low	84 Å²	84	131 Å²	131	59%	0.587	71%	0.709	S	S	*	*			trans	-124.8	113.5	172.4	63.4	0	0	0	0	110.7	N12	N12-S14 PolarHBondContact O-N 2.75Å; N12-S14 VanDerWaalsContact O-N 3.09Å
15	K	35.9	Very low	43.6	Very low	202 Å²	202	126.1 Å²	126.1	88%	0.878	68%	0.681	S	S	*	*			trans	86.3	69.1	167.9	-55.5	-178.6	177.6	-175.9	0	116.2
16	I	40.6	Very low	45.8	Very low	167 Å²	167	123.7 Å²	123.7	86%	0.856	68%	0.678	S	S	*	*			trans	-73.7	128.1	141.8	-60.6	174.7	0	0	0	105.4	E18	I16-E18 PolarHBondContact O-N 3.43Å
17	N	35.9	Very low	48.6	Very low	130 Å²	130	122 Å²	122	70%	0.695	67%	0.666	S	S	*	*			trans	-67.1	115.9	-176.4	-149.9	15.3	0	0	0	108.8	D19	N17-D19 PolarHBondContact O-N 3Å
18	E	38.3	Very low	51.1	Low	182 Å²	182	118.1 Å²	118.1	85%	0.85	64%	0.644	S	S	*	*			trans	-75.8	43.8	179.6	-72.8	-179.3	159.1	0	0	112.6	I16	I16-E18 PolarHBondContact O-N 3.43Å
19	D	41.8	Very low	53.7	Low	112 Å²	112	113.8 Å²	113.8	60%	0.599	63%	0.631	S	S	*	*			trans	-108.3	52.7	168.5	-70.2	-32.5	0	0	0	108.9	N17 V21 Q199	N17-D19 PolarHBondContact O-N 3Å; D19-V21 PolarHBondContact O-N 3.16Å; D19-Q199 PolarHBondContact O-NE2 3.24Å
20	L	52.2	Low	56.7	Low	130 Å²	130	112.2 Å²	112.2	68%	0.681	61%	0.605	S	S	*	*			trans	-60.3	129.6	167.7	-72.3	170	0	0	0	107.7	K22	L20-K22 PolarHBondContact O-N 3.47Å
21	V	59.6	Low	59.7	Low	19 Å²	19	106.6 Å²	106.6	12%	0.115	57%	0.568	C	S	.	*			trans	-58.2	114	173.1	-177.5	0	0	0	0	106.9	D19 D23 W192 Q196 Q199 M200	D19-V21 PolarHBondContact O-N 3.16Å; V21-D23 PolarHBondContact O-N 2.96Å; V21-W192 HydrophobicContact CG1-CE3 4.5Å; V21-W192 HydrophobicContact CG1-CH2 4.26Å; V21-W192 HydrophobicContact CG1-CZ3 3.6Å; V21-Q196 HydrophobicContact CG1-CB 3.94Å; V21-Q196 HydrophobicContact CG1-CG 3.76Å; V21-Q199 HydrophobicContact CG2-CB 3.85Å; V21-Q199 HydrophobicContact CG2-CG 3.59Å; V21-M200 HydrophobicContact CB-CG 4.27Å; V21-M200 HydrophobicContact CG2-CG 3.97Å
22	K	57.9	Low	62.6	Low	161 Å²	161	102.2 Å²	102.2	70%	0.7	54%	0.539	S	S	*	.			trans	-69	125.5	-178.4	-164.1	-180	-179.2	-173.7	0	109.1	L20 D24	L20-K22 PolarHBondContact O-N 3.47Å; K22-D24 PolarHBondContact O-N 2.73Å
23	D	64.4	Low	65.7	Low	35 Å²	35	99 Å²	99	19%	0.187	52%	0.518	C	S	.	.			trans	-62.9	113.8	167.6	-67.8	-20.7	0	0	0	108.2	V21 T164 K168 W192	V21-D23 PolarHBondContact O-N 2.96Å; D23-T164 VanDerWaalsContact OD2-CG2 3.28Å; D23-T164 WeakPolarHBondContact OD2-CG2 3.34Å; D23-K168 IonicContact OD1-NZ 2.82Å; D23-K168 PolarHBondContact OD1-NZ 3.38Å; D23-K168 IonicContact OD2-NZ 2.68Å; D23-K168 PolarHBondContact OD2-NZ 3.01Å; D23-W192 WeakPolarHBondContact OD1-CH2 3.29Å; D23-W192 VanDerWaalsContact OD1-CZ2 3.23Å; D23-W192 WeakPolarHBondContact OD1-CZ2 3.44Å
24	D	65.2	Low	68.5	Low	122 Å²	122	97.8 Å²	97.8	65%	0.652	50%	0.502	S	S	*	.			trans	-86.9	3.2	174.9	-77.7	-25.6	0	0	0	111.9	K22	K22-D24 PolarHBondContact O-N 2.73Å
25	F	77.4	Confident	71.2	Confident	57 Å²	57	95.9 Å²	95.9	25%	0.25	48%	0.482	C	S	.	.	S	Bend	trans	-105.6	143.4	-174.8	-31.1	-69.9	0	0	0	111	L159 N191 W192	F25-L159 HydrophobicContact CB-CD2 4.1Å; F25-N191 HydrophobicContact CD1-CB 4.13Å; F25-N191 HydrophobicContact CD2-CB 3.92Å; F25-N191 HydrophobicContact CE1-CB 3.94Å; F25-N191 WeakPolarHBondContact CE1-O 3.4Å; F25-N191 HydrophobicContact CE2-CB 3.72Å; F25-N191 HydrophobicContact CG-CB 4.14Å; F25-N191 VanDerWaalsContact CZ-C 3.44Å; F25-N191 HydrophobicContact CZ-CB 3.77Å; F25-N191 WeakPolarHBondContact CZ-O 3.39Å; F25-W192 AromaticContact CE2-CD2 3.98Å; F25-W192 HydrophobicContact CE2-CD2 3.98Å; F25-W192 AromaticContact CE2-CE3 3.93Å; F25-W192 HydrophobicContact CE2-CE3 3.93Å; F25-W192 HydrophobicContact CE2-CH2 4.21Å; F25-W192 HydrophobicContact CE2-CZ2 4.16Å; F25-W192 HydrophobicContact CE2-CZ3 4.05Å; F25-W192 HydrophobicContact CZ-CD2 4.48Å; F25-W192 HydrophobicContact CZ-CE3 4.28Å
26	T	81.1	Confident	74.1	Confident	120 Å²	120	87.2 Å²	87.2	74%	0.736	44%	0.444	S	S	*	.			trans	-82.4	137.7	174.7	-53.2	0	0	0	0	109.3
27	P	87.8	Confident	76.9	Confident	69 Å²	69	81.1 Å²	81.1	45%	0.448	41%	0.413	S	S	.	.			trans	-50.8	148.6	173.3	-28.5	35	0	0	0	112.9	L159 P161	P27-L159 VanDerWaalsContact CA-O 3.3Å; P27-L159 WeakPolarHBondContact CA-O 3.3Å; P27-P161 HydrophobicContact CB-CB 3.85Å
28	S	92.2	Very high	79.8	Confident	44 Å²	44	79 Å²	79	31%	0.308	40%	0.401	S	S	.	.			trans	-141.7	161.3	-173.8	178.6	0	0	0	0	110.8	L30 G31 L159	S28-L30 PolarHBondContact O-N 2.86Å; S28-L30 VanDerWaalsContact O-N 3.12Å; S28-L30 PolarHBondContact OG-N 2.97Å; S28-G31 PolarHBondContact O-N 3.32Å; S28-L159 PolarHBondContact N-O 3.06Å
29	K	93.3	Very high	82.7	Confident	137 Å²	137	70.7 Å²	70.7	60%	0.596	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-54.9	-27	169.4	66.5	-179.2	-175.8	176.1	0	112.4	G31 T32 Y35	K29-G31 PolarHBondContact O-N 3.03Å; K29-G31 VanDerWaalsContact O-N 3.12Å; K29-T32 PolarHBondContact O-N 3.17Å; K29-T32 PolarHBondContact O-OG1 2.83Å; K29-Y35 HydrophobicContact CB-CD2 4.24Å; K29-Y35 HydrophobicContact CB-CG 4.43Å; K29-Y35 HydrophobicContact CD-CD2 3.72Å; K29-Y35 HydrophobicContact CD-CE2 3.93Å; K29-Y35 HydrophobicContact CG-CD2 3.81Å; K29-Y35 HydrophobicContact CG-CE2 4.19Å; K29-Y35 HydrophobicContact CG-CG 4.28Å; K29-Y35 WeakPolarHBondContact O-CB 3.45Å
30	L	92.9	Very high	85.4	Confident	41 Å²	41	66 Å²	66	22%	0.215	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-63.2	-13.8	174.9	-59.3	-176.7	0	0	0	113.2	S28 Y35 W36 W57 A156 L159	S28-L30 PolarHBondContact O-N 2.86Å; S28-L30 VanDerWaalsContact O-N 3.12Å; S28-L30 PolarHBondContact OG-N 2.97Å; L30-Y35 HydrophobicContact CD2-CD1 3.81Å; L30-Y35 HydrophobicContact CD2-CE1 3.16Å; L30-Y35 HydrophobicContact CD2-CE2 4.11Å; L30-Y35 WeakPolarHBondContact CD2-OH 3.48Å; L30-W36 PolarHBondContact O-NE1 3.11Å; L30-W57 HydrophobicContact CD1-CH2 4.32Å; L30-W57 HydrophobicContact CD1-CZ3 4.37Å; L30-W57 HydrophobicContact CD2-CH2 3.92Å; L30-A156 WeakPolarHBondContact O-CB 2.83Å; L30-L159 HydrophobicContact CB-CD1 3.85Å; L30-L159 HydrophobicContact CD1-CD1 4.27Å
31	G	93.5	Very high	87.6	Confident	6 Å²	6	65.2 Å²	65.2	6%	0.062	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-94.3	4	173.8	0	0	0	0	0	115	S28 K29 A156 N160	S28-G31 PolarHBondContact O-N 3.32Å; K29-G31 PolarHBondContact O-N 3.03Å; K29-G31 VanDerWaalsContact O-N 3.12Å; G31-A156 WeakPolarHBondContact CA-O 3.01Å; G31-N160 PolarHBondContact O-ND2 2.85Å
32	T	95	Very high	89.4	Confident	33 Å²	33	70.7 Å²	70.7	20%	0.202	35%	0.35	C	S	.	.	S	Bend	trans	-110.8	141.5	-176.4	88.2	0	0	0	0	111.8	K29 E34 Y35 W36 P161	K29-T32 PolarHBondContact O-N 3.17Å; K29-T32 PolarHBondContact O-OG1 2.83Å; T32-E34 VanDerWaalsContact CB-OE2 3.26Å; T32-E34 WeakPolarHBondContact CB-OE2 3.48Å; T32-E34 PolarHBondContact O-N 2.61Å; T32-E34 PolarHBondContact OG1-OE2 3.09Å; T32-Y35 PolarHBondContact O-N 2.92Å; T32-Y35 PolarHBondContact OG1-N 2.93Å; T32-W36 VanDerWaalsContact O-CD1 3.24Å; T32-P161 HydrophobicContact CG2-CG 4.26Å
33	K	95.6	Very high	91.3	Very high	76 Å²	76	64.2 Å²	64.2	33%	0.33	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-36.1	179.5	-170.5	-175.5	-172.2	-50.6	0	111.6	Y35 W36 D37 Y108	K33-Y35 VanDerWaalsContact C-N 3.3Å; K33-Y35 PolarHBondContact O-N 3.01Å; K33-W36 PolarHBondContact O-N 3.02Å; K33-D37 IonicContact NZ-OD1 2.72Å; K33-D37 PolarHBondContact NZ-OD1 3.27Å; K33-D37 IonicContact NZ-OD2 3.02Å; K33-D37 PolarHBondContact NZ-OD2 3.47Å; K33-D37 WeakPolarHBondContact O-CB 3.29Å; K33-D37 PolarHBondContact O-N 3.14Å; K33-Y108 HydrophobicContact CB-CE2 4.12Å; K33-Y108 VanDerWaalsContact CE-O 3.24Å; K33-Y108 WeakPolarHBondContact CE-O 3.41Å; K33-Y108 HydrophobicContact CG-CD1 4.47Å; K33-Y108 HydrophobicContact CG-CD2 4.28Å; K33-Y108 HydrophobicContact CG-CE1 4.22Å; K33-Y108 HydrophobicContact CG-CE2 4.05Å; K33-Y108 HydrophobicContact CG-CG 4.48Å; K33-Y108 PolarHBondContact NZ-O 3.5Å
34	E	97.3	Very high	92.9	Very high	126 Å²	126	63.3 Å²	63.3	59%	0.589	32%	0.317	S	S	*	.	H	α-helix	trans	-59	-42	179.5	-61.3	73.5	-160.2	0	0	111.5	T32 W36 D38	T32-E34 VanDerWaalsContact CB-OE2 3.26Å; T32-E34 WeakPolarHBondContact CB-OE2 3.48Å; T32-E34 PolarHBondContact O-N 2.61Å; T32-E34 PolarHBondContact OG1-OE2 3.09Å; E34-W36 PolarHBondContact O-N 2.71Å; E34-D38 VanDerWaalsContact O-CB 3.3Å; E34-D38 WeakPolarHBondContact O-CB 3.49Å; E34-D38 PolarHBondContact O-N 2.82Å
35	Y	96.9	Very high	94.5	Very high	45 Å²	45	62 Å²	62	18%	0.176	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-45.9	177.7	170.9	-94.6	0	0	0	111.7	K29 L30 T32 K33 D38 A39	K29-Y35 HydrophobicContact CB-CD2 4.24Å; K29-Y35 HydrophobicContact CB-CG 4.43Å; K29-Y35 HydrophobicContact CD-CD2 3.72Å; K29-Y35 HydrophobicContact CD-CE2 3.93Å; K29-Y35 HydrophobicContact CG-CD2 3.81Å; K29-Y35 HydrophobicContact CG-CE2 4.19Å; K29-Y35 HydrophobicContact CG-CG 4.28Å; K29-Y35 WeakPolarHBondContact O-CB 3.45Å; L30-Y35 HydrophobicContact CD2-CD1 3.81Å; L30-Y35 HydrophobicContact CD2-CE1 3.16Å; L30-Y35 HydrophobicContact CD2-CE2 4.11Å; L30-Y35 WeakPolarHBondContact CD2-OH 3.48Å; T32-Y35 PolarHBondContact O-N 2.92Å; T32-Y35 PolarHBondContact OG1-N 2.93Å; K33-Y35 VanDerWaalsContact C-N 3.3Å; K33-Y35 PolarHBondContact O-N 3.01Å; Y35-D38 PolarHBondContact O-N 3.12Å; Y35-A39 HydrophobicContact CE1-CB 4.48Å; Y35-A39 WeakPolarHBondContact O-CB 3.34Å; Y35-A39 PolarHBondContact O-N 2.8Å
36	W	97.7	Very high	95.5	Very high	20 Å²	20	61.8 Å²	61.8	8%	0.076	31%	0.31	C	S	.	.	H	α-helix	trans	-70.9	-41.8	-177.8	-70.7	105.2	0	0	0	112.2	L30 T32 K33 E34 D38 A39 Y40 W57 Y108 A156	L30-W36 PolarHBondContact O-NE1 3.11Å; T32-W36 VanDerWaalsContact O-CD1 3.24Å; K33-W36 PolarHBondContact O-N 3.02Å; E34-W36 PolarHBondContact O-N 2.71Å; W36-D38 VanDerWaalsContact C-N 3.29Å; W36-D38 PolarHBondContact O-N 2.68Å; W36-A39 PolarHBondContact O-N 2.84Å; W36-Y40 HydrophobicContact CB-CD2 4.18Å; W36-Y40 HydrophobicContact CB-CE2 4.01Å; W36-Y40 HydrophobicContact CD2-CE2 4.31Å; W36-Y40 HydrophobicContact CE3-CD2 4.5Å; W36-Y40 AromaticContact CE3-CE2 3.67Å; W36-Y40 HydrophobicContact CE3-CE2 3.67Å; W36-Y40 AromaticContact CE3-CZ 3.69Å; W36-Y40 HydrophobicContact CG-CE2 4.49Å; W36-Y40 WeakPolarHBondContact O-CB 3.46Å; W36-Y40 WeakPolarHBondContact O-CD2 3.47Å; W36-Y40 PolarHBondContact O-N 2.88Å; W36-W57 HydrophobicContact CH2-CD2 4.03Å; W36-W57 AromaticContact CH2-CE2 3.44Å; W36-W57 VanDerWaalsContact CH2-CE2 3.44Å; W36-W57 AromaticContact CH2-CH2 4Å; W36-W57 HydrophobicContact CH2-CH2 4Å; W36-W57 AromaticContact CH2-CZ2 3.42Å; W36-W57 HydrophobicContact CH2-CZ2 3.42Å; W36-W57 VanDerWaalsContact CH2-CZ2 3.42Å; W36-W57 AromaticContact CH2-NE1 3.74Å; W36-W57 HydrophobicContact CZ2-CZ2 4.46Å; W36-W57 AromaticContact CZ3-CE2 3.65Å; W36-W57 AromaticContact CZ3-CZ2 3.71Å; W36-W57 HydrophobicContact CZ3-CZ2 3.71Å; W36-W57 AromaticContact CZ3-NE1 3.53Å; W36-Y108 HydrophobicContact CB-CE1 3.9Å; W36-Y108 HydrophobicContact CG-CE1 4.33Å; W36-A156 HydrophobicContact CZ2-CB 4.13Å
37	D	98.2	Very high	96.3	Very high	38 Å²	38	57.1 Å²	57.1	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-57.1	-45.5	172.6	-79.1	-14.2	0	0	0	111.1	K33 Q41 S109	K33-D37 IonicContact NZ-OD1 2.72Å; K33-D37 PolarHBondContact NZ-OD1 3.27Å; K33-D37 IonicContact NZ-OD2 3.02Å; K33-D37 PolarHBondContact NZ-OD2 3.47Å; K33-D37 WeakPolarHBondContact O-CB 3.29Å; K33-D37 PolarHBondContact O-N 3.14Å; D37-Q41 VanDerWaalsContact O-CB 3.31Å; D37-Q41 WeakPolarHBondContact O-CB 3.46Å; D37-Q41 WeakPolarHBondContact O-CG 3.35Å; D37-Q41 PolarHBondContact O-N 2.93Å; D37-S109 WeakPolarHBondContact OD1-CB 3.07Å; D37-S109 PolarHBondContact OD1-OG 3.18Å
38	D	98.1	Very high	96.8	Very high	85 Å²	85	60.2 Å²	60.2	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-65.6	-39.8	177.3	-83	-4.3	0	0	0	112.4	E34 Y35 W36 R42	E34-D38 VanDerWaalsContact O-CB 3.3Å; E34-D38 WeakPolarHBondContact O-CB 3.49Å; E34-D38 PolarHBondContact O-N 2.82Å; Y35-D38 PolarHBondContact O-N 3.12Å; W36-D38 VanDerWaalsContact C-N 3.29Å; W36-D38 PolarHBondContact O-N 2.68Å; D38-R42 WeakPolarHBondContact O-CG 3.29Å; D38-R42 PolarHBondContact O-N 2.97Å; D38-R42 PolarHBondContact O-NH1 2.88Å; D38-R42 VanDerWaalsContact O-NH1 3.07Å
39	A	97.9	Very high	97	Very high	9 Å²	9	63.2 Å²	63.2	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-54.3	176.7	0	0	0	0	0	111.3	Y35 W36 Q41 R42 E43	Y35-A39 HydrophobicContact CE1-CB 4.48Å; Y35-A39 WeakPolarHBondContact O-CB 3.34Å; Y35-A39 PolarHBondContact O-N 2.8Å; W36-A39 PolarHBondContact O-N 2.84Å; A39-Q41 VanDerWaalsContact C-N 3.3Å; A39-Q41 PolarHBondContact O-N 3.22Å; A39-R42 VanDerWaalsContact CA-NH2 3.28Å; A39-R42 WeakPolarHBondContact O-CB 3.25Å; A39-R42 PolarHBondContact O-N 3.38Å; A39-E43 WeakPolarHBondContact O-CG 3.34Å; A39-E43 PolarHBondContact O-N 2.88Å
40	Y	98.5	Very high	97.2	Very high	14 Å²	14	62.9 Å²	62.9	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-68.9	-27.4	-178	-65.6	-53.4	0	0	0	113.2	W36 E43 L44 G87 S112 L115	W36-Y40 HydrophobicContact CB-CD2 4.18Å; W36-Y40 HydrophobicContact CB-CE2 4.01Å; W36-Y40 HydrophobicContact CD2-CE2 4.31Å; W36-Y40 HydrophobicContact CE3-CD2 4.5Å; W36-Y40 AromaticContact CE3-CE2 3.67Å; W36-Y40 HydrophobicContact CE3-CE2 3.67Å; W36-Y40 AromaticContact CE3-CZ 3.69Å; W36-Y40 HydrophobicContact CG-CE2 4.49Å; W36-Y40 WeakPolarHBondContact O-CB 3.46Å; W36-Y40 WeakPolarHBondContact O-CD2 3.47Å; W36-Y40 PolarHBondContact O-N 2.88Å; Y40-E43 VanDerWaalsContact CD1-OE2 3.23Å; Y40-E43 WeakPolarHBondContact CD1-OE2 3.46Å; Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 PolarHBondContact O-N 3.08Å; Y40-G87 VanDerWaalsContact OH-CA 3.25Å; Y40-G87 WeakPolarHBondContact OH-CA 3.44Å; Y40-S112 VanDerWaalsContact CD2-CB 3.5Å; Y40-L115 HydrophobicContact CD1-CD2 4.37Å
41	Q	98.4	Very high	97.4	Very high	112 Å²	112	63 Å²	63	52%	0.523	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-42.3	169.5	-79.4	174.4	31.7	0	0	112.1	D37 A39 Q45 A111	D37-Q41 VanDerWaalsContact O-CB 3.31Å; D37-Q41 WeakPolarHBondContact O-CB 3.46Å; D37-Q41 WeakPolarHBondContact O-CG 3.35Å; D37-Q41 PolarHBondContact O-N 2.93Å; A39-Q41 VanDerWaalsContact C-N 3.3Å; A39-Q41 PolarHBondContact O-N 3.22Å; Q41-Q45 PolarHBondContact O-N 2.86Å; Q41-Q45 VanDerWaalsContact O-N 3.15Å; Q41-A111 HydrophobicContact CG-CB 3.86Å
42	R	98.3	Very high	97.6	Very high	135 Å²	135	66.4 Å²	66.4	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-66.3	-48.4	176	-71	-175.6	-63.3	-87.2	0.6	110.9	D38 A39 L44 Q45 T46	D38-R42 WeakPolarHBondContact O-CG 3.29Å; D38-R42 PolarHBondContact O-N 2.97Å; D38-R42 PolarHBondContact O-NH1 2.88Å; D38-R42 VanDerWaalsContact O-NH1 3.07Å; A39-R42 VanDerWaalsContact CA-NH2 3.28Å; A39-R42 WeakPolarHBondContact O-CB 3.25Å; A39-R42 PolarHBondContact O-N 3.38Å; R42-L44 PolarHBondContact O-N 2.83Å; R42-Q45 WeakPolarHBondContact O-CB 3.11Å; R42-Q45 PolarHBondContact O-N 2.73Å; R42-Q45 VanDerWaalsContact O-N 3.12Å; R42-T46 PolarHBondContact O-N 2.86Å; R42-T46 PolarHBondContact O-OG1 3.43Å
43	E	98.3	Very high	97.6	Very high	25 Å²	25	66.7 Å²	66.7	12%	0.117	33%	0.332	C	S	.	.	H	α-helix	trans	-61.9	-42.5	179.6	-67.9	180	162.4	0	0	111.9	A39 Y40 Q45 T46 F47 E55 L115	A39-E43 WeakPolarHBondContact O-CG 3.34Å; A39-E43 PolarHBondContact O-N 2.88Å; Y40-E43 VanDerWaalsContact CD1-OE2 3.23Å; Y40-E43 WeakPolarHBondContact CD1-OE2 3.46Å; E43-Q45 VanDerWaalsContact C-N 3.27Å; E43-Q45 PolarHBondContact O-N 3.18Å; E43-T46 PolarHBondContact O-N 3.02Å; E43-F47 WeakPolarHBondContact O-CB 3.26Å; E43-F47 PolarHBondContact O-N 3.28Å; E43-E55 PolarHBondContact OE1-N 3.09Å; E43-L115 HydrophobicContact CB-CD2 3.66Å
44	L	98.3	Very high	97.6	Very high	16 Å²	16	64.1 Å²	64.1	8%	0.084	33%	0.327	C	S	.	.	H	α-helix	trans	-59.5	-37.7	173.7	178.9	61	0	0	0	112.6	Y40 R42 K48 K114 L115	Y40-L44 WeakPolarHBondContact O-CB 3.48Å; Y40-L44 PolarHBondContact O-N 3.08Å; R42-L44 PolarHBondContact O-N 2.83Å; L44-K48 VanDerWaalsContact O-CG 3.3Å; L44-K48 WeakPolarHBondContact O-CG 3.39Å; L44-K48 PolarHBondContact O-N 3.42Å; L44-K114 HydrophobicContact CD1-CB 4.36Å; L44-K114 HydrophobicContact CD2-CB 3.87Å; L44-K114 HydrophobicContact CD2-CD 4.32Å; L44-L115 HydrophobicContact CB-CB 4.36Å; L44-L115 HydrophobicContact CD1-CB 4.18Å
45	Q	98.2	Very high	97.4	Very high	95 Å²	95	63.1 Å²	63.1	44%	0.444	32%	0.322	S	S	.	.	H	α-helix	trans	-69.7	-46.7	176.1	-173.6	55.8	51.8	0	0	110.8	Q41 R42 E43 F47 K48 D49	Q41-Q45 PolarHBondContact O-N 2.86Å; Q41-Q45 VanDerWaalsContact O-N 3.15Å; R42-Q45 WeakPolarHBondContact O-CB 3.11Å; R42-Q45 PolarHBondContact O-N 2.73Å; R42-Q45 VanDerWaalsContact O-N 3.12Å; E43-Q45 VanDerWaalsContact C-N 3.27Å; E43-Q45 PolarHBondContact O-N 3.18Å; Q45-F47 VanDerWaalsContact C-N 3.31Å; Q45-F47 PolarHBondContact O-N 2.66Å; Q45-K48 PolarHBondContact O-N 3.22Å; Q45-K48 VanDerWaalsContact O-N 3.16Å; Q45-D49 VanDerWaalsContact NE2-CG 3.29Å; Q45-D49 PolarHBondContact NE2-OD1 3.02Å; Q45-D49 PolarHBondContact NE2-OD2 3.33Å; Q45-D49 VanDerWaalsContact O-CG 3.25Å; Q45-D49 PolarHBondContact O-N 3.46Å
46	T	98.1	Very high	97.2	Very high	51 Å²	51	62.8 Å²	62.8	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-58.8	-42.6	176.3	-50.3	0	0	0	0	111.6	R42 E43 K48 D49 I50 D52	R42-T46 PolarHBondContact O-N 2.86Å; R42-T46 PolarHBondContact O-OG1 3.43Å; E43-T46 PolarHBondContact O-N 3.02Å; T46-K48 VanDerWaalsContact C-N 3.34Å; T46-K48 PolarHBondContact O-N 3.35Å; T46-D49 PolarHBondContact O-N 2.98Å; T46-D49 VanDerWaalsContact O-N 3.14Å; T46-I50 HydrophobicContact CG2-CD1 3.85Å; T46-I50 HydrophobicContact CG2-CG1 3.83Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.5Å; T46-I50 PolarHBondContact O-N 2.8Å; T46-D52 HydrophobicContact CG2-CB 3.82Å
47	F	98.2	Very high	96.7	Very high	23 Å²	23	64.5 Å²	64.5	10%	0.101	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-44.3	176.2	-177.1	-98.5	0	0	0	111.8	E43 Q45 D49 G51 D52 V53 L115 S118 V119	E43-F47 WeakPolarHBondContact O-CB 3.26Å; E43-F47 PolarHBondContact O-N 3.28Å; Q45-F47 VanDerWaalsContact C-N 3.31Å; Q45-F47 PolarHBondContact O-N 2.66Å; F47-D49 VanDerWaalsContact C-N 3.28Å; F47-D49 PolarHBondContact O-N 3.43Å; F47-G51 WeakPolarHBondContact O-CA 3.28Å; F47-G51 PolarHBondContact O-N 3.08Å; F47-D52 WeakPolarHBondContact CA-O 3.46Å; F47-D52 VanDerWaalsContact CB-O 3.28Å; F47-D52 WeakPolarHBondContact CB-O 3.36Å; F47-D52 PolarHBondContact N-O 2.85Å; F47-V53 HydrophobicContact CD2-CG1 4.14Å; F47-V53 HydrophobicContact CE2-CG1 4Å; F47-L115 HydrophobicContact CB-CD1 3.63Å; F47-L115 HydrophobicContact CD1-CD1 4.31Å; F47-L115 HydrophobicContact CD2-CD1 4.25Å; F47-L115 HydrophobicContact CG-CD1 3.8Å; F47-S118 VanDerWaalsContact CE1-CB 3.47Å; F47-V119 HydrophobicContact CD2-CG2 4.03Å; F47-V119 HydrophobicContact CE2-CG2 3.7Å; F47-V119 HydrophobicContact CZ-CG2 4.03Å
48	K	97.4	Very high	96.1	Very high	133 Å²	133	65.2 Å²	65.2	58%	0.578	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-33.5	176.7	-73	170.1	-176.9	172.6	0	112.9	L44 Q45 T46	L44-K48 VanDerWaalsContact O-CG 3.3Å; L44-K48 WeakPolarHBondContact O-CG 3.39Å; L44-K48 PolarHBondContact O-N 3.42Å; Q45-K48 PolarHBondContact O-N 3.22Å; Q45-K48 VanDerWaalsContact O-N 3.16Å; T46-K48 VanDerWaalsContact C-N 3.34Å; T46-K48 PolarHBondContact O-N 3.35Å
49	D	97.5	Very high	95.6	Very high	108 Å²	108	62.5 Å²	62.5	58%	0.578	32%	0.323	S	S	*	.	H	α-helix	trans	-81.5	-41.2	-174.8	-67.7	-22.4	0	0	0	112.1	Q45 T46 F47	Q45-D49 VanDerWaalsContact NE2-CG 3.29Å; Q45-D49 PolarHBondContact NE2-OD1 3.02Å; Q45-D49 PolarHBondContact NE2-OD2 3.33Å; Q45-D49 VanDerWaalsContact O-CG 3.25Å; Q45-D49 PolarHBondContact O-N 3.46Å; T46-D49 PolarHBondContact O-N 2.98Å; T46-D49 VanDerWaalsContact O-N 3.14Å; F47-D49 VanDerWaalsContact C-N 3.28Å; F47-D49 PolarHBondContact O-N 3.43Å
50	I	97.7	Very high	95.2	Very high	129 Å²	129	68 Å²	68	66%	0.662	35%	0.348	S	S	*	.	H	α-helix	trans	-137.6	0.6	-171.5	63	165.7	0	0	0	115.3	T46 D52	T46-I50 HydrophobicContact CG2-CD1 3.85Å; T46-I50 HydrophobicContact CG2-CG1 3.83Å; T46-I50 VanDerWaalsContact O-CG1 3.29Å; T46-I50 WeakPolarHBondContact O-CG1 3.5Å; T46-I50 PolarHBondContact O-N 2.8Å; I50-D52 VanDerWaalsContact C-N 3.31Å; I50-D52 HydrophobicContact CD1-CB 3.9Å; I50-D52 HydrophobicContact CG1-CB 3.91Å; I50-D52 PolarHBondContact O-N 2.99Å
51	G	96.9	Very high	94.8	Very high	44 Å²	44	73.5 Å²	73.5	45%	0.454	37%	0.374	S	S	.	.			trans	77	11.4	-179.2	0	0	0	0	0	115	F47	F47-G51 WeakPolarHBondContact O-CA 3.28Å; F47-G51 PolarHBondContact O-N 3.08Å
52	D	97.6	Very high	94.5	Very high	78 Å²	78	68.2 Å²	68.2	42%	0.417	35%	0.349	S	S	.	.			trans	-75.1	123.3	175.6	-176.3	-4.8	0	0	0	110.4	T46 F47 I50 G54	T46-D52 HydrophobicContact CG2-CB 3.82Å; F47-D52 WeakPolarHBondContact CA-O 3.46Å; F47-D52 VanDerWaalsContact CB-O 3.28Å; F47-D52 WeakPolarHBondContact CB-O 3.36Å; F47-D52 PolarHBondContact N-O 2.85Å; I50-D52 VanDerWaalsContact C-N 3.31Å; I50-D52 HydrophobicContact CD1-CB 3.9Å; I50-D52 HydrophobicContact CG1-CB 3.91Å; I50-D52 PolarHBondContact O-N 2.99Å; D52-G54 PolarHBondContact O-N 3.47Å; D52-G54 PolarHBondContact OD1-N 3.07Å
53	V	95.8	Very high	94.3	Very high	39 Å²	39	62 Å²	62	24%	0.236	33%	0.326	C	S	.	.			trans	-78.3	-5.5	-176	-57.7	0	0	0	0	113.4	F47 N88 V90 V119	F47-V53 HydrophobicContact CD2-CG1 4.14Å; F47-V53 HydrophobicContact CE2-CG1 4Å; V53-N88 WeakPolarHBondContact O-CB 3.49Å; V53-N88 PolarHBondContact O-ND2 2.67Å; V53-V90 HydrophobicContact CB-CG2 4.14Å; V53-V90 HydrophobicContact CG2-CG2 3.92Å; V53-V119 HydrophobicContact CB-CG2 4.25Å; V53-V119 HydrophobicContact CG1-CG1 4.08Å; V53-V119 HydrophobicContact CG1-CG2 3.89Å
54	G	94.9	Very high	94.1	Very high	21 Å²	21	64.4 Å²	64.4	22%	0.216	34%	0.34	C	S	.	.			trans	83	-161.9	-179.1	0	0	0	0	0	113.4	D52 I56	D52-G54 PolarHBondContact O-N 3.47Å; D52-G54 PolarHBondContact OD1-N 3.07Å; G54-I56 PolarHBondContact O-N 2.79Å
55	E	92.8	Very high	94	Very high	106 Å²	106	64.9 Å²	64.9	50%	0.495	34%	0.34	S	S	.	.			trans	-77.2	124.7	-171.2	-174.7	168	-175.3	0	0	112.8	E43 W57	E43-E55 PolarHBondContact OE1-N 3.09Å; E55-W57 PolarHBondContact O-N 3.44Å
56	I	91.6	Very high	93.9	Very high	37 Å²	37	60.6 Å²	60.6	19%	0.19	32%	0.32	C	S	.	.			trans	-90	94	169.8	-57.6	174.2	0	0	0	108.6	G54 F58 G59 E60 M63 V90	G54-I56 PolarHBondContact O-N 2.79Å; I56-F58 PolarHBondContact O-N 3.09Å; I56-G59 WeakPolarHBondContact O-CA 3.46Å; I56-G59 PolarHBondContact O-N 3.35Å; I56-E60 HydrophobicContact CD1-CG 3.79Å; I56-E60 HydrophobicContact CG2-CG 4.48Å; I56-M63 HydrophobicContact CD1-CE 4.49Å; I56-M63 HydrophobicContact CG2-CE 3.79Å; I56-M63 HydrophobicContact CG2-SD 4.43Å; I56-V90 HydrophobicContact CD1-CG1 4.09Å
57	W	87.9	Confident	93.9	Very high	56 Å²	56	58.5 Å²	58.5	21%	0.212	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	131.5	180	-69	82.8	0	0	0	111.6	L30 W36 E55 G59 K151	L30-W57 HydrophobicContact CD1-CH2 4.32Å; L30-W57 HydrophobicContact CD1-CZ3 4.37Å; L30-W57 HydrophobicContact CD2-CH2 3.92Å; W36-W57 HydrophobicContact CH2-CD2 4.03Å; W36-W57 AromaticContact CH2-CE2 3.44Å; W36-W57 VanDerWaalsContact CH2-CE2 3.44Å; W36-W57 AromaticContact CH2-CH2 4Å; W36-W57 HydrophobicContact CH2-CH2 4Å; W36-W57 AromaticContact CH2-CZ2 3.42Å; W36-W57 HydrophobicContact CH2-CZ2 3.42Å; W36-W57 VanDerWaalsContact CH2-CZ2 3.42Å; W36-W57 AromaticContact CH2-NE1 3.74Å; W36-W57 HydrophobicContact CZ2-CZ2 4.46Å; W36-W57 AromaticContact CZ3-CE2 3.65Å; W36-W57 AromaticContact CZ3-CZ2 3.71Å; W36-W57 HydrophobicContact CZ3-CZ2 3.71Å; W36-W57 AromaticContact CZ3-NE1 3.53Å; E55-W57 PolarHBondContact O-N 3.44Å; W57-G59 PolarHBondContact O-N 3.2Å; W57-K151 VanDerWaalsContact O-CE 3.31Å; W57-K151 WeakPolarHBondContact O-CE 3.46Å; W57-K151 PolarHBondContact O-NZ 3.34Å
58	F	85.9	Confident	93.8	Very high	53 Å²	53	64.1 Å²	64.1	23%	0.232	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	4.5	-174.6	-45.1	-28.3	0	0	0	115.8	I56 K151 D155 T188 C190 V226	I56-F58 PolarHBondContact O-N 3.09Å; F58-K151 HydrophobicContact CD2-CG 3.76Å; F58-K151 HydrophobicContact CE2-CG 4.48Å; F58-D155 VanDerWaalsContact CZ-OD2 3.31Å; F58-D155 WeakPolarHBondContact CZ-OD2 3.49Å; F58-T188 HydrophobicContact CD2-CG2 3.71Å; F58-T188 HydrophobicContact CE2-CG2 4.35Å; F58-T188 WeakPolarHBondContact CE2-O 3.34Å; F58-T188 HydrophobicContact CG-CG2 4.47Å; F58-C190 HydrophobicContact CD1-CB 4.34Å; F58-C190 HydrophobicContact CE1-CB 3.72Å; F58-C190 WeakPolarHBondContact CE1-SG 3.48Å; F58-C190 HydrophobicContact CZ-CB 4.05Å; F58-V226 HydrophobicContact CB-CG1 4.2Å; F58-V226 HydrophobicContact CD1-CG1 4.17Å; F58-V226 HydrophobicContact CG-CG1 4.06Å
59	G	87.7	Confident	93.8	Very high	29 Å²	29	58 Å²	58	30%	0.299	30%	0.301	S	S	.	.			trans	74.8	164.5	172.6	0	0	0	0	0	115.2	I56 W57 E61 S62	I56-G59 WeakPolarHBondContact O-CA 3.46Å; I56-G59 PolarHBondContact O-N 3.35Å; W57-G59 PolarHBondContact O-N 3.2Å; G59-E61 VanDerWaalsContact C-N 3.31Å; G59-E61 PolarHBondContact O-N 3.3Å; G59-S62 WeakPolarHBondContact O-CB 3.36Å; G59-S62 PolarHBondContact O-N 3.4Å; G59-S62 VanDerWaalsContact O-N 3.1Å
60	E	90.1	Very high	93.9	Very high	125 Å²	125	52.9 Å²	52.9	58%	0.584	27%	0.274	S	S	*	.	H	α-helix	trans	-60.9	-37.1	-179.5	-66.8	172.9	-162	0	0	112.9	I56 S62 M63 D64	I56-E60 HydrophobicContact CD1-CG 3.79Å; I56-E60 HydrophobicContact CG2-CG 4.48Å; E60-S62 PolarHBondContact O-N 3.17Å; E60-M63 HydrophobicContact CB-CE 4.11Å; E60-M63 HydrophobicContact CG-CE 3.84Å; E60-M63 WeakPolarHBondContact O-CA 3.45Å; E60-M63 WeakPolarHBondContact O-CB 3.49Å; E60-M63 PolarHBondContact O-N 3.07Å; E60-D64 PolarHBondContact O-N 3.43Å
61	E	90.3	Very high	93.8	Very high	129 Å²	129	52 Å²	52	60%	0.603	27%	0.267	S	S	*	.	H	α-helix	trans	-56.9	-25	176.2	-65.5	-171.6	174.6	0	0	113.2	G59 R65	G59-E61 VanDerWaalsContact C-N 3.31Å; G59-E61 PolarHBondContact O-N 3.3Å; E61-R65 WeakPolarHBondContact O-CB 3.11Å; E61-R65 PolarHBondContact O-N 2.9Å; E61-R65 PolarHBondContact O-NH2 3.33Å
62	S	90.6	Very high	93.8	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.007	27%	0.272	C	S	.	.	H	α-helix	trans	-71.4	-39.6	174.3	-163.5	0	0	0	0	112.6	G59 E60 V66 T188	G59-S62 WeakPolarHBondContact O-CB 3.36Å; G59-S62 PolarHBondContact O-N 3.4Å; G59-S62 VanDerWaalsContact O-N 3.1Å; E60-S62 PolarHBondContact O-N 3.17Å; S62-V66 PolarHBondContact O-N 3.14Å; S62-T188 VanDerWaalsContact OG-CG2 3.32Å; S62-T188 WeakPolarHBondContact OG-CG2 3.28Å
63	M	94.3	Very high	93.8	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-46.8	177.5	-58	-173.8	-70.2	0	0	110.2	I56 E60 R65 V66 L67 V90 L91 K151	I56-M63 HydrophobicContact CD1-CE 4.49Å; I56-M63 HydrophobicContact CG2-CE 3.79Å; I56-M63 HydrophobicContact CG2-SD 4.43Å; E60-M63 HydrophobicContact CB-CE 4.11Å; E60-M63 HydrophobicContact CG-CE 3.84Å; E60-M63 WeakPolarHBondContact O-CA 3.45Å; E60-M63 WeakPolarHBondContact O-CB 3.49Å; E60-M63 PolarHBondContact O-N 3.07Å; M63-R65 PolarHBondContact O-N 3.29Å; M63-R65 VanDerWaalsContact O-N 3.13Å; M63-V66 PolarHBondContact O-N 2.69Å; M63-L67 WeakPolarHBondContact O-CG 3.38Å; M63-L67 PolarHBondContact O-N 3.35Å; M63-V90 HydrophobicContact CE-CG1 3.76Å; M63-V90 HydrophobicContact SD-CG1 4.16Å; M63-L91 HydrophobicContact CB-CD1 4.07Å; M63-L91 HydrophobicContact CG-CD1 3.97Å; M63-L91 HydrophobicContact SD-CB 3.87Å; M63-L91 HydrophobicContact SD-CD1 4.2Å; M63-K151 HydrophobicContact CG-CD 4.25Å
64	D	94.9	Very high	93.9	Very high	75 Å²	75	62.7 Å²	62.7	40%	0.401	30%	0.3	S	S	.	.	H	α-helix	trans	-53.9	-37.5	177.5	-69.4	-9.2	0	0	0	112.7	E60 R68	E60-D64 PolarHBondContact O-N 3.43Å; D64-R68 WeakPolarHBondContact O-CB 3.38Å; D64-R68 PolarHBondContact O-N 2.96Å
65	R	95.1	Very high	94.1	Very high	26 Å²	26	62.8 Å²	62.8	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-68.7	-40.6	179.3	-170.8	-173	-56.1	100.8	14.1	111.9	E61 M63 W69 L211 P212	E61-R65 WeakPolarHBondContact O-CB 3.11Å; E61-R65 PolarHBondContact O-N 2.9Å; E61-R65 PolarHBondContact O-NH2 3.33Å; M63-R65 PolarHBondContact O-N 3.29Å; M63-R65 VanDerWaalsContact O-N 3.13Å; R65-W69 WeakPolarHBondContact O-CB 3.42Å; R65-W69 PolarHBondContact O-N 3.3Å; R65-L211 VanDerWaalsContact CD-CB 3.42Å; R65-L211 HydrophobicContact CG-CB 3.81Å; R65-L211 HydrophobicContact CG-CD1 4Å; R65-P212 VanDerWaalsContact CD-O 3.22Å; R65-P212 WeakPolarHBondContact CD-O 3.35Å; R65-P212 PolarHBondContact NE-O 2.79Å
66	V	96.3	Very high	94.4	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-67	-49.1	176.6	171.7	0	0	0	0	109.6	S62 M63 R68 W69 M70 I149 I186 L211	S62-V66 PolarHBondContact O-N 3.14Å; M63-V66 PolarHBondContact O-N 2.69Å; V66-R68 PolarHBondContact O-N 2.82Å; V66-W69 PolarHBondContact O-N 2.89Å; V66-W69 VanDerWaalsContact O-N 3.15Å; V66-M70 HydrophobicContact CG1-CG 4.36Å; V66-M70 HydrophobicContact CG1-SD 3.84Å; V66-M70 WeakPolarHBondContact O-CG 3.43Å; V66-M70 PolarHBondContact O-N 3.32Å; V66-I149 HydrophobicContact CG1-CD1 4.19Å; V66-I186 HydrophobicContact CG1-CD1 3.78Å; V66-I186 HydrophobicContact CG1-CG2 3.96Å; V66-I186 HydrophobicContact CG2-CG2 3.76Å; V66-L211 HydrophobicContact CG2-CD1 4.29Å
67	L	97.6	Very high	94.7	Very high	8 Å²	8	65.5 Å²	65.5	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-50	178.8	-70.4	167.4	0	0	0	111.9	M63 W69 M70 E71 E94 L95 Y100	M63-L67 WeakPolarHBondContact O-CG 3.38Å; M63-L67 PolarHBondContact O-N 3.35Å; L67-W69 VanDerWaalsContact C-N 3.26Å; L67-W69 PolarHBondContact O-N 3.36Å; L67-M70 PolarHBondContact O-N 2.89Å; L67-M70 VanDerWaalsContact O-N 3.09Å; L67-E71 WeakPolarHBondContact O-CG 3.26Å; L67-E71 PolarHBondContact O-N 3.11Å; L67-E94 HydrophobicContact CD1-CB 3.77Å; L67-L95 HydrophobicContact CD2-CD2 3.55Å; L67-L95 HydrophobicContact CD2-CG 4.06Å; L67-Y100 HydrophobicContact CD2-CE2 4.48Å
68	R	97.4	Very high	95.2	Very high	140 Å²	140	68.2 Å²	68.2	53%	0.528	33%	0.332	S	S	.	.	H	α-helix	trans	-56.6	-42	176.5	-175.5	-174.3	-55.1	144.5	10.1	112	D64 V66 E71 E72	D64-R68 WeakPolarHBondContact O-CB 3.38Å; D64-R68 PolarHBondContact O-N 2.96Å; V66-R68 PolarHBondContact O-N 2.82Å; R68-E71 PolarHBondContact O-N 3.04Å; R68-E72 WeakPolarHBondContact O-CB 3.35Å; R68-E72 VanDerWaalsContact O-CG 3.27Å; R68-E72 WeakPolarHBondContact O-CG 3.46Å; R68-E72 PolarHBondContact O-N 3.26Å
69	W	97.8	Very high	95.8	Very high	6 Å²	6	66 Å²	66	2%	0.023	32%	0.323	C	S	.	.	H	α-helix	trans	-66.4	-42.7	177.8	174.6	69.5	0	0	0	111.7	R65 V66 L67 E71 E72 E73 L184 I186 L211 I230	R65-W69 WeakPolarHBondContact O-CB 3.42Å; R65-W69 PolarHBondContact O-N 3.3Å; V66-W69 PolarHBondContact O-N 2.89Å; V66-W69 VanDerWaalsContact O-N 3.15Å; L67-W69 VanDerWaalsContact C-N 3.26Å; L67-W69 PolarHBondContact O-N 3.36Å; W69-E71 VanDerWaalsContact C-N 3.31Å; W69-E71 PolarHBondContact O-N 3.44Å; W69-E72 PolarHBondContact O-N 3.21Å; W69-E73 HydrophobicContact CD2-CG 4.1Å; W69-E73 HydrophobicContact CG-CG 4.43Å; W69-E73 HydrophobicContact CH2-CG 4.37Å; W69-E73 HydrophobicContact CZ2-CB 4.49Å; W69-E73 HydrophobicContact CZ2-CG 3.58Å; W69-E73 PolarHBondContact NE1-OE1 3.28Å; W69-E73 VanDerWaalsContact NE1-OE1 3.11Å; W69-E73 WeakPolarHBondContact O-CG 3.5Å; W69-E73 PolarHBondContact O-N 3.1Å; W69-L184 HydrophobicContact CH2-CD1 3.93Å; W69-L184 HydrophobicContact CH2-CD2 4.41Å; W69-I186 HydrophobicContact CE3-CD1 3.87Å; W69-I186 HydrophobicContact CZ3-CD1 3.49Å; W69-I186 VanDerWaalsContact CZ3-CD1 3.49Å; W69-I186 HydrophobicContact CZ3-CG1 4.05Å; W69-L211 HydrophobicContact CB-CD1 4.1Å; W69-L211 HydrophobicContact CB-CD2 3.82Å; W69-L211 HydrophobicContact CD2-CD2 4.2Å; W69-L211 HydrophobicContact CG-CD1 4.4Å; W69-L211 HydrophobicContact CG-CD2 3.52Å; W69-I230 HydrophobicContact CD2-CD1 3.9Å; W69-I230 HydrophobicContact CD2-CG1 4.01Å; W69-I230 HydrophobicContact CE3-CD1 3.7Å; W69-I230 HydrophobicContact CE3-CG1 4.25Å; W69-I230 HydrophobicContact CH2-CB 4.26Å; W69-I230 HydrophobicContact CH2-CD1 3.97Å; W69-I230 HydrophobicContact CH2-CG1 3.99Å; W69-I230 HydrophobicContact CH2-CG2 3.35Å; W69-I230 HydrophobicContact CZ2-CB 4.11Å; W69-I230 HydrophobicContact CZ2-CD1 4.17Å; W69-I230 HydrophobicContact CZ2-CG1 3.74Å; W69-I230 HydrophobicContact CZ2-CG2 3.51Å; W69-I230 HydrophobicContact CZ3-CD1 3.76Å; W69-I230 HydrophobicContact CZ3-CG1 4.26Å; W69-I230 HydrophobicContact CZ3-CG2 4.16Å
70	M	98.3	Very high	96.3	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-38.5	177.2	-66.9	175	65.3	0	0	111.9	V66 L67 E74 I75 I81 L95 Y100 I149 I186	V66-M70 HydrophobicContact CG1-CG 4.36Å; V66-M70 HydrophobicContact CG1-SD 3.84Å; V66-M70 WeakPolarHBondContact O-CG 3.43Å; V66-M70 PolarHBondContact O-N 3.32Å; L67-M70 PolarHBondContact O-N 2.89Å; L67-M70 VanDerWaalsContact O-N 3.09Å; M70-E74 PolarHBondContact O-N 3.21Å; M70-I75 HydrophobicContact CB-CB 4.26Å; M70-I75 HydrophobicContact CB-CG1 3.91Å; M70-I75 HydrophobicContact CE-CB 4.47Å; M70-I75 HydrophobicContact CE-CG2 4.1Å; M70-I75 HydrophobicContact CG-CG1 4.23Å; M70-I75 WeakPolarHBondContact O-CG1 3.46Å; M70-I75 PolarHBondContact O-N 3.15Å; M70-I81 HydrophobicContact CE-CD1 3.76Å; M70-I81 HydrophobicContact CE-CG1 4.32Å; M70-L95 HydrophobicContact CE-CD2 4.05Å; M70-L95 HydrophobicContact SD-CD2 4.06Å; M70-Y100 WeakPolarHBondContact CB-OH 3.24Å; M70-Y100 HydrophobicContact CE-CE1 4.08Å; M70-Y100 HydrophobicContact CE-CE2 4Å; M70-I149 HydrophobicContact SD-CD1 4.08Å; M70-I186 HydrophobicContact CG-CD1 4.04Å; M70-I186 HydrophobicContact SD-CD1 4.02Å
71	E	96.9	Very high	96.7	Very high	110 Å²	110	59 Å²	59	51%	0.514	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-45	172.7	-71.4	173	-169.9	0	0	111.8	L67 R68 W69 E73 E74	L67-E71 WeakPolarHBondContact O-CG 3.26Å; L67-E71 PolarHBondContact O-N 3.11Å; R68-E71 PolarHBondContact O-N 3.04Å; W69-E71 VanDerWaalsContact C-N 3.31Å; W69-E71 PolarHBondContact O-N 3.44Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E71-E73 PolarHBondContact O-N 3.29Å; E71-E74 PolarHBondContact O-N 3.14Å; E71-E74 VanDerWaalsContact O-N 3.09Å
72	E	97.1	Very high	97.1	Very high	120 Å²	120	52.9 Å²	52.9	56%	0.561	26%	0.255	S	S	*	.	H	α-helix	trans	-63.2	-34.6	178.1	-78.4	173.9	-170.8	0	0	113.2	R68 W69 E74	R68-E72 WeakPolarHBondContact O-CB 3.35Å; R68-E72 VanDerWaalsContact O-CG 3.27Å; R68-E72 WeakPolarHBondContact O-CG 3.46Å; R68-E72 PolarHBondContact O-N 3.26Å; W69-E72 PolarHBondContact O-N 3.21Å; E72-E74 VanDerWaalsContact C-N 3.26Å
73	E	97.3	Very high	97.5	Very high	94 Å²	94	53 Å²	53	44%	0.439	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	5.2	175.9	-58.9	-67.7	155	0	0	113	W69 E71 I75 K209	W69-E73 HydrophobicContact CD2-CG 4.1Å; W69-E73 HydrophobicContact CG-CG 4.43Å; W69-E73 HydrophobicContact CH2-CG 4.37Å; W69-E73 HydrophobicContact CZ2-CB 4.49Å; W69-E73 HydrophobicContact CZ2-CG 3.58Å; W69-E73 PolarHBondContact NE1-OE1 3.28Å; W69-E73 VanDerWaalsContact NE1-OE1 3.11Å; W69-E73 WeakPolarHBondContact O-CG 3.5Å; W69-E73 PolarHBondContact O-N 3.1Å; E71-E73 VanDerWaalsContact C-N 3.32Å; E71-E73 PolarHBondContact O-N 3.29Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 HydrophobicContact CB-CD1 4.35Å; E73-I75 HydrophobicContact CB-CG1 4.45Å; E73-I75 PolarHBondContact O-N 2.94Å; E73-K209 IonicContact OE1-NZ 3.95Å
74	E	97.6	Very high	97.7	Very high	172 Å²	172	52.8 Å²	52.8	80%	0.804	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	41.7	178.5	-55.6	-177	134	0	0	112.7	M70 E71 E72 P76	M70-E74 PolarHBondContact O-N 3.21Å; E71-E74 PolarHBondContact O-N 3.14Å; E71-E74 VanDerWaalsContact O-N 3.09Å; E72-E74 VanDerWaalsContact C-N 3.26Å; E74-P76 WeakPolarHBondContact O-CD 3.3Å
75	I	98.3	Very high	97.9	Very high	23 Å²	23	50.3 Å²	50.3	12%	0.118	25%	0.247	C	C	.	.			trans	-58.5	125.4	175.3	-59.2	-60	0	0	0	108.7	M70 E73 A79 Y100 V147 L184	M70-I75 HydrophobicContact CB-CB 4.26Å; M70-I75 HydrophobicContact CB-CG1 3.91Å; M70-I75 HydrophobicContact CE-CB 4.47Å; M70-I75 HydrophobicContact CE-CG2 4.1Å; M70-I75 HydrophobicContact CG-CG1 4.23Å; M70-I75 WeakPolarHBondContact O-CG1 3.46Å; M70-I75 PolarHBondContact O-N 3.15Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 HydrophobicContact CB-CD1 4.35Å; E73-I75 HydrophobicContact CB-CG1 4.45Å; E73-I75 PolarHBondContact O-N 2.94Å; I75-A79 HydrophobicContact CG2-CB 3.9Å; I75-Y100 HydrophobicContact CB-CE1 4.26Å; I75-Y100 HydrophobicContact CG2-CE1 3.98Å; I75-V147 HydrophobicContact CG2-CG2 4.15Å; I75-L184 HydrophobicContact CD1-CD1 3.56Å
76	P	98.4	Very high	98.1	Very high	74 Å²	74	49.5 Å²	49.5	48%	0.481	25%	0.245	S	C	.	.			trans	-57.4	139.2	-177.4	-26	34.2	0	0	0	113	E74 D78 A79 Y100	E74-P76 WeakPolarHBondContact O-CD 3.3Å; P76-D78 VanDerWaalsContact CB-OD1 3.29Å; P76-D78 WeakPolarHBondContact CB-OD1 3.38Å; P76-D78 PolarHBondContact O-N 3.35Å; P76-D78 VanDerWaalsContact O-N 3.16Å; P76-A79 HydrophobicContact CB-CB 4.36Å; P76-A79 WeakPolarHBondContact O-CB 3.12Å; P76-A79 PolarHBondContact O-N 2.96Å; P76-Y100 WeakPolarHBondContact O-CE1 3.23Å
77	E	98.1	Very high	98.2	Very high	126 Å²	126	49.5 Å²	49.5	59%	0.589	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.4	177.8	-69.8	177.7	-175.5	0	0	113.1	Y100 T101	E77-Y100 CarbonylContact O-C 3.53Å; E77-Y100 WeakPolarHBondContact O-CA 3.37Å; E77-T101 PolarHBondContact O-N 3.46Å; E77-T101 PolarHBondContact O-OG1 3.37Å; E77-T101 VanDerWaalsContact O-OG1 3.07Å
78	D	98.3	Very high	98.2	Very high	113 Å²	113	49.8 Å²	49.8	60%	0.604	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	3.3	176.1	68.5	-22.5	0	0	0	114	P76 A80 N102	P76-D78 VanDerWaalsContact CB-OD1 3.29Å; P76-D78 WeakPolarHBondContact CB-OD1 3.38Å; P76-D78 PolarHBondContact O-N 3.35Å; P76-D78 VanDerWaalsContact O-N 3.16Å; D78-A80 PolarHBondContact O-N 3.24Å; D78-N102 WeakPolarHBondContact O-CB 3.43Å
79	A	98.6	Very high	98.2	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.041	22%	0.223	C	C	.	.			trans	-56.2	134.6	174.3	0	0	0	0	0	110.6	I75 P76 I81 D146	I75-A79 HydrophobicContact CG2-CB 3.9Å; P76-A79 HydrophobicContact CB-CB 4.36Å; P76-A79 WeakPolarHBondContact O-CB 3.12Å; P76-A79 PolarHBondContact O-N 2.96Å; A79-I81 PolarHBondContact O-N 3.44Å; A79-D146 HydrophobicContact CB-CB 4.05Å
80	A	98.8	Very high	98.3	Very high	8 Å²	8	43.6 Å²	43.6	7%	0.066	23%	0.226	C	C	.	.			trans	-72.4	111.2	175.9	0	0	0	0	0	109.6	D78 N102 F145 D146 V147	D78-A80 PolarHBondContact O-N 3.24Å; A80-N102 WeakPolarHBondContact CA-ND2 3.14Å; A80-N102 WeakPolarHBondContact CB-ND2 3.5Å; A80-F145 HydrophobicContact CB-CD1 4.01Å; A80-F145 CarbonylContact O-C 3.51Å; A80-D146 WeakPolarHBondContact CB-OD2 3.37Å; A80-D146 PolarHBondContact N-OD2 3.18Å; A80-D146 PolarHBondContact O-N 3.41Å; A80-V147 PolarHBondContact O-N 3.02Å; A80-V147 VanDerWaalsContact O-N 3.08Å
81	I	98.9	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127	-176.6	-60.6	155.7	0	0	0	110.1	M70 A79 L95 Y100 N102 L103 T104 V147 I149	M70-I81 HydrophobicContact CE-CD1 3.76Å; M70-I81 HydrophobicContact CE-CG1 4.32Å; A79-I81 PolarHBondContact O-N 3.44Å; I81-L95 HydrophobicContact CD1-CD2 4.47Å; I81-L95 HydrophobicContact CG2-CD1 4.11Å; I81-Y100 HydrophobicContact CD1-CD1 3.42Å; I81-Y100 VanDerWaalsContact CD1-CD1 3.42Å; I81-Y100 HydrophobicContact CD1-CD2 4.33Å; I81-Y100 HydrophobicContact CD1-CE1 4.04Å; I81-Y100 HydrophobicContact CD1-CG 3.62Å; I81-N102 PolarHBondContact N-O 3.41Å; I81-L103 HydrophobicContact CB-CD2 3.82Å; I81-L103 HydrophobicContact CD1-CD2 3.78Å; I81-L103 HydrophobicContact CG1-CD2 4.37Å; I81-L103 HydrophobicContact CG2-CD2 4.28Å; I81-T104 PolarHBondContact O-N 2.84Å; I81-V147 CarbonylContact C-O 3.59Å; I81-V147 WeakPolarHBondContact CA-O 3.45Å; I81-V147 HydrophobicContact CG1-CB 4.03Å; I81-V147 HydrophobicContact CG1-CG2 4.33Å; I81-V147 HydrophobicContact CG2-CB 4.46Å; I81-I149 HydrophobicContact CG2-CD1 3.87Å; I81-I149 HydrophobicContact CG2-CG1 4.29Å
82	L	98.9	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.4	173.4	-178.2	65.3	0	0	0	110.9	I84 T104 I106 F135 L142 F145 V147 C148 I149 A178	L82-I84 HydrophobicContact CD2-CD1 4.42Å; L82-I84 HydrophobicContact CD2-CG1 3.87Å; L82-I84 HydrophobicContact CG-CG1 3.96Å; L82-T104 CarbonylContact C-O 3.56Å; L82-T104 WeakPolarHBondContact CA-O 3.4Å; L82-T104 HydrophobicContact CD1-CG2 3.92Å; L82-I106 HydrophobicContact CD1-CD1 4.4Å; L82-I106 HydrophobicContact CD1-CG1 3.98Å; L82-I106 HydrophobicContact CD1-CG2 3.96Å; L82-I106 HydrophobicContact CD2-CD1 4.48Å; L82-F135 HydrophobicContact CD2-CE2 4.33Å; L82-L142 HydrophobicContact CD2-CD1 4.12Å; L82-F145 HydrophobicContact CB-CB 4.37Å; L82-F145 HydrophobicContact CB-CD1 3.62Å; L82-F145 HydrophobicContact CB-CD2 4.06Å; L82-F145 HydrophobicContact CB-CE1 3.83Å; L82-F145 HydrophobicContact CB-CE2 4.25Å; L82-F145 HydrophobicContact CB-CG 3.75Å; L82-F145 HydrophobicContact CB-CZ 4.14Å; L82-F145 HydrophobicContact CD1-CE1 4.29Å; L82-F145 HydrophobicContact CD1-CE2 4.22Å; L82-F145 HydrophobicContact CD1-CZ 3.94Å; L82-F145 HydrophobicContact CD2-CD2 4.1Å; L82-F145 HydrophobicContact CD2-CE2 4.12Å; L82-F145 HydrophobicContact CG-CE2 4.44Å; L82-F145 HydrophobicContact CG-CZ 4.46Å; L82-V147 PolarHBondContact N-O 3.04Å; L82-C148 CarbonylContact O-C 3.6Å; L82-C148 WeakPolarHBondContact O-CA 3.42Å; L82-I149 PolarHBondContact O-N 2.98Å; L82-A178 HydrophobicContact CD2-CB 4.1Å
83	D	98.9	Very high	98.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	109.6	167.6	-176.2	17.5	0	0	0	110.1	T86 L92 T104 I106	D83-T86 WeakPolarHBondContact OD2-CA 3.24Å; D83-T86 VanDerWaalsContact OD2-CB 3.24Å; D83-T86 WeakPolarHBondContact OD2-CB 3.25Å; D83-T86 PolarHBondContact OD2-OG1 2.63Å; D83-L92 HydrophobicContact CB-CD2 3.79Å; D83-L92 HydrophobicContact CB-CG 4.18Å; D83-T104 PolarHBondContact N-O 3.22Å; D83-I106 WeakPolarHBondContact O-CG1 3.37Å; D83-I106 PolarHBondContact O-N 3.02Å
84	I	98.8	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.8	-173.3	-57.6	167.6	0	0	0	109.9	L82 I106 F135 C148 I149 T153 Y171 L175	L82-I84 HydrophobicContact CD2-CD1 4.42Å; L82-I84 HydrophobicContact CD2-CG1 3.87Å; L82-I84 HydrophobicContact CG-CG1 3.96Å; I84-I106 HydrophobicContact CG2-CD1 4.28Å; I84-F135 HydrophobicContact CD1-CE1 3.99Å; I84-F135 HydrophobicContact CD1-CE2 4.18Å; I84-F135 HydrophobicContact CD1-CZ 3.63Å; I84-F135 HydrophobicContact CG1-CE2 4.29Å; I84-F135 HydrophobicContact CG1-CZ 4.21Å; I84-F135 HydrophobicContact CG2-CB 4.38Å; I84-F135 HydrophobicContact CG2-CD1 3.76Å; I84-F135 HydrophobicContact CG2-CD2 4.25Å; I84-F135 HydrophobicContact CG2-CE1 4.01Å; I84-F135 HydrophobicContact CG2-CE2 4.47Å; I84-F135 HydrophobicContact CG2-CG 3.87Å; I84-F135 HydrophobicContact CG2-CZ 4.34Å; I84-C148 HydrophobicContact CD1-CB 3.97Å; I84-I149 WeakPolarHBondContact CB-O 3.36Å; I84-I149 PolarHBondContact N-O 3.06Å; I84-T153 HydrophobicContact CG2-CG2 4.13Å; I84-T153 WeakPolarHBondContact O-CB 3.39Å; I84-T153 PolarHBondContact O-OG1 3.1Å; I84-Y171 HydrophobicContact CG2-CE2 4.12Å; I84-L175 HydrophobicContact CD1-CD1 3.92Å
85	G	98.4	Very high	98.5	Very high	23 Å²	23	23 Å²	23	24%	0.237	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	57.9	-172.9	0	0	0	0	0	110.6	G87 I106 T153	G85-G87 PolarHBondContact O-N 3Å; G85-G87 VanDerWaalsContact O-N 3.09Å; G85-I106 CarbonylContact C-O 3.6Å; G85-I106 WeakPolarHBondContact CA-O 3.38Å; G85-I106 PolarHBondContact N-O 3.46Å; G85-T153 WeakPolarHBondContact CA-OG1 3.42Å
86	T	98.6	Very high	98.5	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.055	13%	0.13	C	C	.	.			trans	-62.5	-18.7	-170.4	-166.5	0	0	0	0	113.9	D83 N88 G89 L92 I106 D107 A116 V130	D83-T86 WeakPolarHBondContact OD2-CA 3.24Å; D83-T86 VanDerWaalsContact OD2-CB 3.24Å; D83-T86 WeakPolarHBondContact OD2-CB 3.25Å; D83-T86 PolarHBondContact OD2-OG1 2.63Å; T86-N88 PolarHBondContact O-N 3.09Å; T86-G89 PolarHBondContact O-N 3.43Å; T86-L92 WeakPolarHBondContact OG1-CD1 3.35Å; T86-I106 PolarHBondContact N-O 3.36Å; T86-D107 HydrophobicContact CG2-CB 4.32Å; T86-A116 HydrophobicContact CG2-CB 4.24Å; T86-V130 HydrophobicContact CG2-CG1 4.04Å
87	G	98.5	Very high	98.5	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-124.4	179.4	0	0	0	0	0	112	Y40 G85 G89 D107 S112	Y40-G87 VanDerWaalsContact OH-CA 3.25Å; Y40-G87 WeakPolarHBondContact OH-CA 3.44Å; G85-G87 PolarHBondContact O-N 3Å; G85-G87 VanDerWaalsContact O-N 3.09Å; G87-G89 PolarHBondContact O-N 3.31Å; G87-D107 PolarHBondContact N-OD2 3.29Å; G87-D107 VanDerWaalsContact N-OD2 3.17Å; G87-S112 VanDerWaalsContact C-OG 3.25Å; G87-S112 WeakPolarHBondContact CA-OG 3.35Å; G87-S112 PolarHBondContact O-OG 3.2Å
88	N	98.1	Very high	98.5	Very high	14 Å²	14	19.7 Å²	19.7	8%	0.075	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-1.8	178.3	68.1	5.7	0	0	0	114.9	V53 T86 V90 L115 A116	V53-N88 WeakPolarHBondContact O-CB 3.49Å; V53-N88 PolarHBondContact O-ND2 2.67Å; T86-N88 PolarHBondContact O-N 3.09Å; N88-V90 VanDerWaalsContact C-N 3.31Å; N88-V90 PolarHBondContact O-N 3.22Å; N88-V90 WeakPolarHBondContact OD1-CG2 3.36Å; N88-V90 PolarHBondContact OD1-N 3.24Å; N88-L115 HydrophobicContact CB-CD2 3.68Å; N88-L115 HydrophobicContact CB-CG 4.04Å; N88-A116 WeakPolarHBondContact O-CA 3.41Å
89	G	98.3	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	75.8	9	175.1	0	0	0	0	0	115.6	T86 G87 L91 L92 V93	T86-G89 PolarHBondContact O-N 3.43Å; G87-G89 PolarHBondContact O-N 3.31Å; G89-L91 VanDerWaalsContact C-N 3.29Å; G89-L91 PolarHBondContact O-N 2.89Å; G89-L92 WeakPolarHBondContact O-CB 3.39Å; G89-L92 PolarHBondContact O-N 3.22Å; G89-L92 VanDerWaalsContact O-N 3.12Å; G89-V93 PolarHBondContact O-N 3.02Å; G89-V93 VanDerWaalsContact O-N 3.15Å
90	V	98.3	Very high	98.4	Very high	15 Å²	15	15.8 Å²	15.8	9%	0.091	10%	0.096	C	C	.	.	H	α-helix	trans	-62.9	-35.4	-179	174.2	0	0	0	0	111.8	V53 I56 M63 N88 L92 V93 E94 V119	V53-V90 HydrophobicContact CB-CG2 4.14Å; V53-V90 HydrophobicContact CG2-CG2 3.92Å; I56-V90 HydrophobicContact CD1-CG1 4.09Å; M63-V90 HydrophobicContact CE-CG1 3.76Å; M63-V90 HydrophobicContact SD-CG1 4.16Å; N88-V90 VanDerWaalsContact C-N 3.31Å; N88-V90 PolarHBondContact O-N 3.22Å; N88-V90 WeakPolarHBondContact OD1-CG2 3.36Å; N88-V90 PolarHBondContact OD1-N 3.24Å; V90-L92 VanDerWaalsContact C-N 3.29Å; V90-L92 PolarHBondContact O-N 2.86Å; V90-V93 WeakPolarHBondContact O-CB 3.45Å; V90-V93 PolarHBondContact O-N 2.87Å; V90-V93 VanDerWaalsContact O-N 3.14Å; V90-E94 HydrophobicContact CG1-CG 4.41Å; V90-E94 PolarHBondContact O-N 2.96Å; V90-V119 HydrophobicContact CG2-CG1 4.4Å
91	L	98.4	Very high	98.4	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.042	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-39.3	175	176	58.5	0	0	0	111.9	M63 G89 V93 E94 L95 I149	M63-L91 HydrophobicContact CB-CD1 4.07Å; M63-L91 HydrophobicContact CG-CD1 3.97Å; M63-L91 HydrophobicContact SD-CB 3.87Å; M63-L91 HydrophobicContact SD-CD1 4.2Å; G89-L91 VanDerWaalsContact C-N 3.29Å; G89-L91 PolarHBondContact O-N 2.89Å; L91-V93 VanDerWaalsContact C-N 3.34Å; L91-E94 PolarHBondContact O-N 3.05Å; L91-L95 HydrophobicContact CD1-CD1 4.24Å; L91-L95 HydrophobicContact CD1-CG 4.25Å; L91-L95 HydrophobicContact CG-CD1 4.02Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.17Å; L91-I149 HydrophobicContact CD2-CB 4.43Å; L91-I149 HydrophobicContact CD2-CG2 3.82Å
92	L	98.7	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-38.3	175	-65.1	168	0	0	0	112.1	D83 T86 G89 V90 A96 L103 L120 V128 V130	D83-L92 HydrophobicContact CB-CD2 3.79Å; D83-L92 HydrophobicContact CB-CG 4.18Å; T86-L92 WeakPolarHBondContact OG1-CD1 3.35Å; G89-L92 WeakPolarHBondContact O-CB 3.39Å; G89-L92 PolarHBondContact O-N 3.22Å; G89-L92 VanDerWaalsContact O-N 3.12Å; V90-L92 VanDerWaalsContact C-N 3.29Å; V90-L92 PolarHBondContact O-N 2.86Å; L92-A96 WeakPolarHBondContact O-CB 3.2Å; L92-A96 PolarHBondContact O-N 2.9Å; L92-L103 HydrophobicContact CD2-CB 4.16Å; L92-L120 HydrophobicContact CB-CD2 4.04Å; L92-L120 HydrophobicContact CD1-CD1 4.18Å; L92-V128 HydrophobicContact CB-CG1 4.27Å; L92-V128 HydrophobicContact CD1-CG1 4.12Å; L92-V128 HydrophobicContact CD2-CG1 4.27Å; L92-V128 HydrophobicContact CG-CG1 4.48Å; L92-V130 HydrophobicContact CD1-CG2 4.04Å
93	V	98.5	Very high	98.4	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.024	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-48.3	174	170.3	0	0	0	0	110.4	G89 V90 L91 A96 K97 V119 L120 E123 F125	G89-V93 PolarHBondContact O-N 3.02Å; G89-V93 VanDerWaalsContact O-N 3.15Å; V90-V93 WeakPolarHBondContact O-CB 3.45Å; V90-V93 PolarHBondContact O-N 2.87Å; V90-V93 VanDerWaalsContact O-N 3.14Å; L91-V93 VanDerWaalsContact C-N 3.34Å; V93-A96 PolarHBondContact O-N 2.8Å; V93-K97 HydrophobicContact CG1-CD 4.01Å; V93-K97 VanDerWaalsContact CG1-CE 3.43Å; V93-K97 HydrophobicContact CG1-CG 4.45Å; V93-K97 WeakPolarHBondContact O-CG 3.24Å; V93-K97 PolarHBondContact O-N 3.5Å; V93-V119 HydrophobicContact CG2-CG1 3.95Å; V93-L120 HydrophobicContact CG2-CD2 3.78Å; V93-L120 HydrophobicContact CG2-CG 4.26Å; V93-E123 HydrophobicContact CG1-CB 4.06Å; V93-E123 HydrophobicContact CG1-CG 3.8Å; V93-E123 HydrophobicContact CG2-CB 4.32Å; V93-E123 HydrophobicContact CG2-CG 4.12Å; V93-F125 HydrophobicContact CG1-CD2 4.46Å; V93-F125 HydrophobicContact CG1-CE2 4.45Å
94	E	98.3	Very high	98.4	Very high	53 Å²	53	23.7 Å²	23.7	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-68.7	-38.2	-177.9	-63.1	-54.5	122.1	0	0	111.9	L67 V90 L91 A96 K97 S98	L67-E94 HydrophobicContact CD1-CB 3.77Å; V90-E94 HydrophobicContact CG1-CG 4.41Å; V90-E94 PolarHBondContact O-N 2.96Å; L91-E94 PolarHBondContact O-N 3.05Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 2.97Å; E94-K97 PolarHBondContact O-N 2.84Å; E94-K97 WeakPolarHBondContact OE1-CD 3.32Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 2.84Å; E94-S98 PolarHBondContact O-N 3.46Å; E94-S98 PolarHBondContact O-OG 3.39Å
95	L	98.5	Very high	98.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.8	-45.3	169.6	-74.9	163.6	0	0	0	111.7	L67 M70 I81 L91 S98 G99 Y100 L103 I149	L67-L95 HydrophobicContact CD2-CD2 3.55Å; L67-L95 HydrophobicContact CD2-CG 4.06Å; M70-L95 HydrophobicContact CE-CD2 4.05Å; M70-L95 HydrophobicContact SD-CD2 4.06Å; I81-L95 HydrophobicContact CD1-CD2 4.47Å; I81-L95 HydrophobicContact CG2-CD1 4.11Å; L91-L95 HydrophobicContact CD1-CD1 4.24Å; L91-L95 HydrophobicContact CD1-CG 4.25Å; L91-L95 HydrophobicContact CG-CD1 4.02Å; L91-L95 WeakPolarHBondContact O-CB 3.36Å; L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.17Å; L95-S98 PolarHBondContact O-N 2.86Å; L95-G99 PolarHBondContact O-N 3.38Å; L95-Y100 HydrophobicContact CB-CD2 4.29Å; L95-Y100 HydrophobicContact CD2-CD2 3.73Å; L95-Y100 HydrophobicContact CD2-CE2 4.09Å; L95-Y100 HydrophobicContact CD2-CG 4.46Å; L95-Y100 WeakPolarHBondContact O-CB 3.43Å; L95-Y100 WeakPolarHBondContact O-CD2 3.3Å; L95-Y100 PolarHBondContact O-N 2.86Å; L95-Y100 VanDerWaalsContact O-N 3.12Å; L95-L103 HydrophobicContact CB-CD1 3.78Å; L95-L103 HydrophobicContact CB-CD2 4Å; L95-L103 HydrophobicContact CD1-CD2 4.24Å; L95-I149 HydrophobicContact CD1-CD1 4.17Å; L95-I149 HydrophobicContact CD2-CD1 4.41Å
96	A	98.4	Very high	98.4	Very high	12 Å²	12	22.7 Å²	22.7	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-66.4	-38.9	179.5	0	0	0	0	0	112.1	L92 V93 E94 S98 G99 L103 F125	L92-A96 WeakPolarHBondContact O-CB 3.2Å; L92-A96 PolarHBondContact O-N 2.9Å; V93-A96 PolarHBondContact O-N 2.8Å; E94-A96 VanDerWaalsContact C-N 3.33Å; E94-A96 PolarHBondContact O-N 2.97Å; A96-S98 VanDerWaalsContact C-N 3.29Å; A96-S98 PolarHBondContact O-N 3.14Å; A96-G99 PolarHBondContact O-N 3.05Å; A96-L103 HydrophobicContact CB-CD1 3.81Å; A96-F125 HydrophobicContact CB-CB 4.38Å; A96-F125 HydrophobicContact CB-CD1 3.48Å; A96-F125 VanDerWaalsContact CB-CD1 3.48Å; A96-F125 HydrophobicContact CB-CD2 3.98Å; A96-F125 HydrophobicContact CB-CE1 3.59Å; A96-F125 HydrophobicContact CB-CE2 4.09Å; A96-F125 HydrophobicContact CB-CG 3.68Å; A96-F125 HydrophobicContact CB-CZ 3.9Å
97	K	98	Very high	98.4	Very high	101 Å²	101	22.6 Å²	22.6	44%	0.439	13%	0.129	S	C	.	.	H	α-helix	trans	-63.7	-33.1	173.5	-74	174.1	-178	164.2	0	112.7	V93 E94 G99 E123 F125	V93-K97 HydrophobicContact CG1-CD 4.01Å; V93-K97 VanDerWaalsContact CG1-CE 3.43Å; V93-K97 HydrophobicContact CG1-CG 4.45Å; V93-K97 WeakPolarHBondContact O-CG 3.24Å; V93-K97 PolarHBondContact O-N 3.5Å; E94-K97 PolarHBondContact O-N 2.84Å; E94-K97 WeakPolarHBondContact OE1-CD 3.32Å; E94-K97 IonicContact OE1-NZ 2.67Å; E94-K97 PolarHBondContact OE1-NZ 2.84Å; K97-G99 PolarHBondContact O-N 2.86Å; K97-E123 WeakPolarHBondContact CE-OE2 3.49Å; K97-E123 IonicContact NZ-OE2 3.31Å; K97-E123 PolarHBondContact NZ-OE2 3.48Å; K97-F125 HydrophobicContact CG-CE2 3.71Å; K97-F125 HydrophobicContact CG-CZ 3.84Å
98	S	97.7	Very high	98.4	Very high	39 Å²	39	25.2 Å²	25.2	27%	0.273	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	0.5	172.5	-73.7	0	0	0	0	113.9	E94 L95 A96	E94-S98 PolarHBondContact O-N 3.46Å; E94-S98 PolarHBondContact O-OG 3.39Å; L95-S98 PolarHBondContact O-N 2.86Å; A96-S98 VanDerWaalsContact C-N 3.29Å; A96-S98 PolarHBondContact O-N 3.14Å
99	G	97.7	Very high	98.4	Very high	24 Å²	24	24.6 Å²	24.6	25%	0.247	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-2.5	173	0	0	0	0	0	115	L95 A96 K97 T101	L95-G99 PolarHBondContact O-N 3.38Å; A96-G99 PolarHBondContact O-N 3.05Å; K97-G99 PolarHBondContact O-N 2.86Å; G99-T101 WeakPolarHBondContact O-CG2 3.43Å; G99-T101 PolarHBondContact O-N 2.81Å
100	Y	98.5	Very high	98.4	Very high	13 Å²	13	26 Å²	26	5%	0.051	15%	0.147	C	C	.	.			trans	-69.3	131.8	177.7	-64.9	-73.7	0	0	0	111.6	L67 M70 I75 P76 E77 I81 L95	L67-Y100 HydrophobicContact CD2-CE2 4.48Å; M70-Y100 WeakPolarHBondContact CB-OH 3.24Å; M70-Y100 HydrophobicContact CE-CE1 4.08Å; M70-Y100 HydrophobicContact CE-CE2 4Å; I75-Y100 HydrophobicContact CB-CE1 4.26Å; I75-Y100 HydrophobicContact CG2-CE1 3.98Å; P76-Y100 WeakPolarHBondContact O-CE1 3.23Å; E77-Y100 CarbonylContact O-C 3.53Å; E77-Y100 WeakPolarHBondContact O-CA 3.37Å; I81-Y100 HydrophobicContact CD1-CD1 3.42Å; I81-Y100 VanDerWaalsContact CD1-CD1 3.42Å; I81-Y100 HydrophobicContact CD1-CD2 4.33Å; I81-Y100 HydrophobicContact CD1-CE1 4.04Å; I81-Y100 HydrophobicContact CD1-CG 3.62Å; L95-Y100 HydrophobicContact CB-CD2 4.29Å; L95-Y100 HydrophobicContact CD2-CD2 3.73Å; L95-Y100 HydrophobicContact CD2-CE2 4.09Å; L95-Y100 HydrophobicContact CD2-CG 4.46Å; L95-Y100 WeakPolarHBondContact O-CB 3.43Å; L95-Y100 WeakPolarHBondContact O-CD2 3.3Å; L95-Y100 PolarHBondContact O-N 2.86Å; L95-Y100 VanDerWaalsContact O-N 3.12Å
101	T	98.1	Very high	98.4	Very high	90 Å²	90	25.8 Å²	25.8	55%	0.552	15%	0.146	S	C	*	.			trans	-111.9	-20.9	-167.9	59	0	0	0	0	114.4	E77 G99	E77-T101 PolarHBondContact O-N 3.46Å; E77-T101 PolarHBondContact O-OG1 3.37Å; E77-T101 VanDerWaalsContact O-OG1 3.07Å; G99-T101 WeakPolarHBondContact O-CG2 3.43Å; G99-T101 PolarHBondContact O-N 2.81Å
102	N	98.5	Very high	98.4	Very high	75 Å²	75	25.4 Å²	25.4	40%	0.401	14%	0.144	S	C	.	.	S	Bend	trans	-111.5	72.7	-176.8	-171.6	8.5	0	0	0	110.8	D78 A80 I81	D78-N102 WeakPolarHBondContact O-CB 3.43Å; A80-N102 WeakPolarHBondContact CA-ND2 3.14Å; A80-N102 WeakPolarHBondContact CB-ND2 3.5Å; I81-N102 PolarHBondContact N-O 3.41Å
103	L	98.8	Very high	98.4	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.7	-171.7	-58.7	-178.6	0	0	0	111.3	I81 L92 L95 A96 V128 E129	I81-L103 HydrophobicContact CB-CD2 3.82Å; I81-L103 HydrophobicContact CD1-CD2 3.78Å; I81-L103 HydrophobicContact CG1-CD2 4.37Å; I81-L103 HydrophobicContact CG2-CD2 4.28Å; L92-L103 HydrophobicContact CD2-CB 4.16Å; L95-L103 HydrophobicContact CB-CD1 3.78Å; L95-L103 HydrophobicContact CB-CD2 4Å; L95-L103 HydrophobicContact CD1-CD2 4.24Å; A96-L103 HydrophobicContact CB-CD1 3.81Å; L103-V128 HydrophobicContact CB-CG1 3.82Å; L103-V128 HydrophobicContact CB-CG2 4.2Å; L103-V128 HydrophobicContact CD1-CG2 4.12Å; L103-E129 PolarHBondContact O-N 3.49Å
104	T	98.8	Very high	98.4	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.043	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	127	171.5	-58.7	0	0	0	0	110.4	I81 L82 D83 I106 E129 F145	I81-T104 PolarHBondContact O-N 2.84Å; L82-T104 CarbonylContact C-O 3.56Å; L82-T104 WeakPolarHBondContact CA-O 3.4Å; L82-T104 HydrophobicContact CD1-CG2 3.92Å; D83-T104 PolarHBondContact N-O 3.22Å; T104-I106 HydrophobicContact CG2-CG2 4.43Å; T104-E129 CarbonylContact C-O 3.3Å; T104-E129 VanDerWaalsContact CA-O 3.29Å; T104-E129 WeakPolarHBondContact CA-O 3.27Å; T104-F145 HydrophobicContact CG2-CZ 4.2Å
105	G	98.8	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.6	166.8	0	0	0	0	0	112.2	E129 V130 K131	G105-E129 PolarHBondContact N-O 3.45Å; G105-V130 CarbonylContact O-C 3.53Å; G105-V130 VanDerWaalsContact O-CA 3.25Å; G105-V130 WeakPolarHBondContact O-CA 3.48Å; G105-K131 PolarHBondContact O-N 2.71Å
106	I	98.8	Very high	98.5	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	145.8	169.6	57.2	159.2	0	0	0	111.5	L82 D83 I84 G85 T86 T104 K131 V133 F135 L142	L82-I106 HydrophobicContact CD1-CD1 4.4Å; L82-I106 HydrophobicContact CD1-CG1 3.98Å; L82-I106 HydrophobicContact CD1-CG2 3.96Å; L82-I106 HydrophobicContact CD2-CD1 4.48Å; D83-I106 WeakPolarHBondContact O-CG1 3.37Å; D83-I106 PolarHBondContact O-N 3.02Å; I84-I106 HydrophobicContact CG2-CD1 4.28Å; G85-I106 CarbonylContact C-O 3.6Å; G85-I106 WeakPolarHBondContact CA-O 3.38Å; G85-I106 PolarHBondContact N-O 3.46Å; T86-I106 PolarHBondContact N-O 3.36Å; T104-I106 HydrophobicContact CG2-CG2 4.43Å; I106-K131 WeakPolarHBondContact CA-O 3.27Å; I106-K131 HydrophobicContact CG2-CB 4.32Å; I106-V133 HydrophobicContact CB-CB 4.13Å; I106-V133 HydrophobicContact CG2-CB 4.06Å; I106-V133 HydrophobicContact CG2-CG2 4.03Å; I106-F135 HydrophobicContact CD1-CB 4.07Å; I106-F135 HydrophobicContact CD1-CD2 3.4Å; I106-F135 VanDerWaalsContact CD1-CD2 3.4Å; I106-F135 HydrophobicContact CD1-CE2 4.13Å; I106-F135 HydrophobicContact CD1-CG 4.03Å; I106-L142 HydrophobicContact CD1-CD1 3.8Å; I106-L142 HydrophobicContact CG2-CD1 4.4Å; I106-L142 HydrophobicContact CG2-CD2 4.41Å
107	D	98.8	Very high	98.5	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	145.6	169.5	-161.6	-66.5	0	0	0	109.2	T86 G87 S109 S112 V113 K131 E132 V133	T86-D107 HydrophobicContact CG2-CB 4.32Å; G87-D107 PolarHBondContact N-OD2 3.29Å; G87-D107 VanDerWaalsContact N-OD2 3.17Å; D107-S109 PolarHBondContact O-N 3.41Å; D107-S109 VanDerWaalsContact OD1-CB 3.27Å; D107-S109 WeakPolarHBondContact OD1-CB 3.31Å; D107-S109 PolarHBondContact OD1-N 2.86Å; D107-S112 WeakPolarHBondContact CB-OG 3.08Å; D107-S112 WeakPolarHBondContact OD1-CB 3.23Å; D107-S112 WeakPolarHBondContact OD2-CB 3.44Å; D107-S112 PolarHBondContact OD2-OG 2.88Å; D107-V113 HydrophobicContact CB-CG2 4.2Å; D107-K131 PolarHBondContact N-O 3.11Å; D107-K131 VanDerWaalsContact N-O 3.17Å; D107-E132 CarbonylContact O-C 3.6Å; D107-E132 VanDerWaalsContact O-CA 3.26Å; D107-E132 WeakPolarHBondContact O-CA 3.36Å; D107-V133 CarbonylContact C-O 3.56Å; D107-V133 VanDerWaalsContact C-O 3.29Å; D107-V133 PolarHBondContact O-N 2.59Å
108	Y	97.8	Very high	98.5	Very high	61 Å²	61	31.1 Å²	31.1	24%	0.239	17%	0.166	C	C	.	.	S	Bend	trans	-76.2	-4.8	177.9	68.8	-2.6	0	0	0	113.7	K33 W36 V133	K33-Y108 HydrophobicContact CB-CE2 4.12Å; K33-Y108 VanDerWaalsContact CE-O 3.24Å; K33-Y108 WeakPolarHBondContact CE-O 3.41Å; K33-Y108 HydrophobicContact CG-CD1 4.47Å; K33-Y108 HydrophobicContact CG-CD2 4.28Å; K33-Y108 HydrophobicContact CG-CE1 4.22Å; K33-Y108 HydrophobicContact CG-CE2 4.05Å; K33-Y108 HydrophobicContact CG-CG 4.48Å; K33-Y108 PolarHBondContact NZ-O 3.5Å; W36-Y108 HydrophobicContact CB-CE1 3.9Å; W36-Y108 HydrophobicContact CG-CE1 4.33Å; Y108-V133 WeakPolarHBondContact CA-O 3.4Å; Y108-V133 PolarHBondContact N-O 3.09Å
109	S	98.5	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.			trans	-105	115.7	-175.6	-177.2	0	0	0	0	109.7	D37 D107 A111 S112 V113	D37-S109 WeakPolarHBondContact OD1-CB 3.07Å; D37-S109 PolarHBondContact OD1-OG 3.18Å; D107-S109 PolarHBondContact O-N 3.41Å; D107-S109 VanDerWaalsContact OD1-CB 3.27Å; D107-S109 WeakPolarHBondContact OD1-CB 3.31Å; D107-S109 PolarHBondContact OD1-N 2.86Å; S109-A111 PolarHBondContact O-N 3.21Å; S109-A111 VanDerWaalsContact O-N 3.1Å; S109-A111 PolarHBondContact OG-N 2.82Å; S109-S112 VanDerWaalsContact O-CB 3.3Å; S109-S112 WeakPolarHBondContact O-CB 3.28Å; S109-S112 PolarHBondContact O-N 3.2Å; S109-V113 PolarHBondContact O-N 3.29Å
110	A	98.6	Very high	98.6	Very high	31 Å²	31	28.5 Å²	28.5	26%	0.256	14%	0.144	S	C	.	.	H	α-helix	trans	-55.1	-29.3	173.3	0	0	0	0	0	113.2	K114 E132	A110-K114 WeakPolarHBondContact O-CD 3.48Å; A110-K114 VanDerWaalsContact O-CG 3.24Å; A110-K114 WeakPolarHBondContact O-CG 3.43Å; A110-K114 PolarHBondContact O-N 3.02Å; A110-E132 WeakPolarHBondContact CB-OE2 3.47Å
111	A	98.5	Very high	98.6	Very high	9 Å²	9	34.1 Å²	34.1	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-73.5	-42.8	177.3	0	0	0	0	0	111.4	Q41 S109 K114 L115	Q41-A111 HydrophobicContact CG-CB 3.86Å; S109-A111 PolarHBondContact O-N 3.21Å; S109-A111 VanDerWaalsContact O-N 3.1Å; S109-A111 PolarHBondContact OG-N 2.82Å; A111-K114 PolarHBondContact O-N 2.93Å; A111-L115 WeakPolarHBondContact O-CB 3.37Å; A111-L115 PolarHBondContact O-N 2.83Å
112	S	98.7	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.8	-52.8	172.8	-178.8	0	0	0	0	111.3	Y40 G87 D107 S109 K114 L115 A116	Y40-S112 VanDerWaalsContact CD2-CB 3.5Å; G87-S112 VanDerWaalsContact C-OG 3.25Å; G87-S112 WeakPolarHBondContact CA-OG 3.35Å; G87-S112 PolarHBondContact O-OG 3.2Å; D107-S112 WeakPolarHBondContact CB-OG 3.08Å; D107-S112 WeakPolarHBondContact OD1-CB 3.23Å; D107-S112 WeakPolarHBondContact OD2-CB 3.44Å; D107-S112 PolarHBondContact OD2-OG 2.88Å; S109-S112 VanDerWaalsContact O-CB 3.3Å; S109-S112 WeakPolarHBondContact O-CB 3.28Å; S109-S112 PolarHBondContact O-N 3.2Å; S112-K114 VanDerWaalsContact C-N 3.28Å; S112-K114 PolarHBondContact O-N 2.98Å; S112-L115 CarbonylContact O-C 3.52Å; S112-L115 WeakPolarHBondContact O-CA 3.49Å; S112-L115 WeakPolarHBondContact O-CB 3.5Å; S112-L115 PolarHBondContact O-N 3.38Å; S112-A116 PolarHBondContact O-N 3.2Å
113	V	98.8	Very high	98.5	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-57.2	-40.3	178.8	173.2	0	0	0	0	112.3	D107 S109 R117 V130 K131 E132	D107-V113 HydrophobicContact CB-CG2 4.2Å; S109-V113 PolarHBondContact O-N 3.29Å; V113-R117 WeakPolarHBondContact O-CB 3.35Å; V113-R117 VanDerWaalsContact O-CG 3.25Å; V113-R117 WeakPolarHBondContact O-CG 3.39Å; V113-R117 PolarHBondContact O-N 3.12Å; V113-R117 VanDerWaalsContact O-N 3.1Å; V113-V130 HydrophobicContact CB-CG1 4.37Å; V113-V130 HydrophobicContact CG1-CG1 4.02Å; V113-V130 HydrophobicContact CG2-CG1 4.31Å; V113-K131 WeakPolarHBondContact CG2-O 3.3Å; V113-E132 HydrophobicContact CG2-CB 4.05Å
114	K	98.8	Very high	98.4	Very high	120 Å²	120	41 Å²	41	52%	0.522	21%	0.205	S	C	.	.	H	α-helix	trans	-67.8	-40.5	176.1	-74.5	169.6	-171.2	169	0	111.9	L44 A110 A111 S112 S118	L44-K114 HydrophobicContact CD1-CB 4.36Å; L44-K114 HydrophobicContact CD2-CB 3.87Å; L44-K114 HydrophobicContact CD2-CD 4.32Å; A110-K114 WeakPolarHBondContact O-CD 3.48Å; A110-K114 VanDerWaalsContact O-CG 3.24Å; A110-K114 WeakPolarHBondContact O-CG 3.43Å; A110-K114 PolarHBondContact O-N 3.02Å; A111-K114 PolarHBondContact O-N 2.93Å; S112-K114 VanDerWaalsContact C-N 3.28Å; S112-K114 PolarHBondContact O-N 2.98Å; K114-S118 WeakPolarHBondContact O-CB 3.42Å; K114-S118 PolarHBondContact O-N 3Å; K114-S118 VanDerWaalsContact O-N 3.11Å; K114-S118 PolarHBondContact O-OG 3.46Å
115	L	98.8	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-55.6	176.4	174.9	58.9	0	0	0	110.3	Y40 E43 L44 F47 N88 A111 S112 R117 S118 V119	Y40-L115 HydrophobicContact CD1-CD2 4.37Å; E43-L115 HydrophobicContact CB-CD2 3.66Å; L44-L115 HydrophobicContact CB-CB 4.36Å; L44-L115 HydrophobicContact CD1-CB 4.18Å; F47-L115 HydrophobicContact CB-CD1 3.63Å; F47-L115 HydrophobicContact CD1-CD1 4.31Å; F47-L115 HydrophobicContact CD2-CD1 4.25Å; F47-L115 HydrophobicContact CG-CD1 3.8Å; N88-L115 HydrophobicContact CB-CD2 3.68Å; N88-L115 HydrophobicContact CB-CG 4.04Å; A111-L115 WeakPolarHBondContact O-CB 3.37Å; A111-L115 PolarHBondContact O-N 2.83Å; S112-L115 CarbonylContact O-C 3.52Å; S112-L115 WeakPolarHBondContact O-CA 3.49Å; S112-L115 WeakPolarHBondContact O-CB 3.5Å; S112-L115 PolarHBondContact O-N 3.38Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 3.36Å; L115-S118 CarbonylContact O-C 3.59Å; L115-S118 WeakPolarHBondContact O-CA 3.31Å; L115-S118 WeakPolarHBondContact O-CB 3.14Å; L115-S118 PolarHBondContact O-N 3.38Å; L115-V119 HydrophobicContact CD1-CG2 3.93Å; L115-V119 HydrophobicContact CG-CG2 4.37Å; L115-V119 WeakPolarHBondContact O-CG2 3.45Å; L115-V119 PolarHBondContact O-N 2.64Å
116	A	98.8	Very high	98	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-52	-47.7	178	0	0	0	0	0	113	T86 N88 S112 S118 V119 L120 V130	T86-A116 HydrophobicContact CG2-CB 4.24Å; N88-A116 WeakPolarHBondContact O-CA 3.41Å; S112-A116 PolarHBondContact O-N 3.2Å; A116-S118 VanDerWaalsContact C-N 3.28Å; A116-S118 PolarHBondContact O-N 2.91Å; A116-V119 PolarHBondContact O-N 2.83Å; A116-L120 WeakPolarHBondContact O-CB 3.49Å; A116-L120 WeakPolarHBondContact O-CD1 3.11Å; A116-L120 WeakPolarHBondContact O-CG 3.45Å; A116-L120 PolarHBondContact O-N 2.77Å; A116-V130 HydrophobicContact CB-CG1 4.07Å; A116-V130 HydrophobicContact CB-CG2 4.39Å
117	R	98.8	Very high	97.6	Very high	134 Å²	134	53.1 Å²	53.1	51%	0.506	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-36.8	175.9	-72.5	174.3	178.2	176.8	-1.3	112.7	V113 L115 Q121 V130	V113-R117 WeakPolarHBondContact O-CB 3.35Å; V113-R117 VanDerWaalsContact O-CG 3.25Å; V113-R117 WeakPolarHBondContact O-CG 3.39Å; V113-R117 PolarHBondContact O-N 3.12Å; V113-R117 VanDerWaalsContact O-N 3.1Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-R117 PolarHBondContact O-N 3.36Å; R117-Q121 VanDerWaalsContact O-CB 3.23Å; R117-Q121 WeakPolarHBondContact O-CB 3.16Å; R117-Q121 PolarHBondContact O-N 2.98Å; R117-V130 HydrophobicContact CG-CB 3.92Å; R117-V130 HydrophobicContact CG-CG2 4.15Å; R117-V130 VanDerWaalsContact CZ-O 3.28Å; R117-V130 PolarHBondContact NE-O 3.22Å; R117-V130 VanDerWaalsContact NE-O 3.14Å; R117-V130 PolarHBondContact NH2-O 3.32Å
118	S	98.4	Very high	97.6	Very high	31 Å²	31	53.5 Å²	53.5	22%	0.217	28%	0.277	C	S	.	.	H	α-helix	trans	-71.2	-39.3	179	-53.2	0	0	0	0	111.4	F47 K114 L115 A116 Q121 T122	F47-S118 VanDerWaalsContact CE1-CB 3.47Å; K114-S118 WeakPolarHBondContact O-CB 3.42Å; K114-S118 PolarHBondContact O-N 3Å; K114-S118 VanDerWaalsContact O-N 3.11Å; K114-S118 PolarHBondContact O-OG 3.46Å; L115-S118 CarbonylContact O-C 3.59Å; L115-S118 WeakPolarHBondContact O-CA 3.31Å; L115-S118 WeakPolarHBondContact O-CB 3.14Å; L115-S118 PolarHBondContact O-N 3.38Å; A116-S118 VanDerWaalsContact C-N 3.28Å; A116-S118 PolarHBondContact O-N 2.91Å; S118-Q121 PolarHBondContact O-N 3.42Å; S118-T122 PolarHBondContact O-N 3.17Å; S118-T122 VanDerWaalsContact O-N 3.07Å; S118-T122 PolarHBondContact O-OG1 3.09Å
119	V	98.6	Very high	97.6	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-63.3	-51.7	174.4	175.4	0	0	0	0	110.3	F47 V53 V90 V93 L115 A116 Q121 T122 E123	F47-V119 HydrophobicContact CD2-CG2 4.03Å; F47-V119 HydrophobicContact CE2-CG2 3.7Å; F47-V119 HydrophobicContact CZ-CG2 4.03Å; V53-V119 HydrophobicContact CB-CG2 4.25Å; V53-V119 HydrophobicContact CG1-CG1 4.08Å; V53-V119 HydrophobicContact CG1-CG2 3.89Å; V90-V119 HydrophobicContact CG2-CG1 4.4Å; V93-V119 HydrophobicContact CG2-CG1 3.95Å; L115-V119 HydrophobicContact CD1-CG2 3.93Å; L115-V119 HydrophobicContact CG-CG2 4.37Å; L115-V119 WeakPolarHBondContact O-CG2 3.45Å; L115-V119 PolarHBondContact O-N 2.64Å; A116-V119 PolarHBondContact O-N 2.83Å; V119-Q121 VanDerWaalsContact C-N 3.27Å; V119-Q121 PolarHBondContact O-N 3.23Å; V119-T122 PolarHBondContact O-N 3.09Å; V119-T122 VanDerWaalsContact O-N 3.14Å; V119-E123 WeakPolarHBondContact O-CG 3.34Å; V119-E123 PolarHBondContact O-N 2.9Å; V119-E123 VanDerWaalsContact O-N 3.17Å
120	L	98.6	Very high	97.6	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-56.5	-40.5	175.5	-75.9	161.8	0	0	0	112.3	L92 V93 A116 E123 D124 F125 V128 V130	L92-L120 HydrophobicContact CB-CD2 4.04Å; L92-L120 HydrophobicContact CD1-CD1 4.18Å; V93-L120 HydrophobicContact CG2-CD2 3.78Å; V93-L120 HydrophobicContact CG2-CG 4.26Å; A116-L120 WeakPolarHBondContact O-CB 3.49Å; A116-L120 WeakPolarHBondContact O-CD1 3.11Å; A116-L120 WeakPolarHBondContact O-CG 3.45Å; A116-L120 PolarHBondContact O-N 2.77Å; L120-E123 CarbonylContact O-C 3.48Å; L120-E123 PolarHBondContact O-N 3.27Å; L120-D124 PolarHBondContact O-N 2.92Å; L120-F125 HydrophobicContact CD2-CB 3.85Å; L120-F125 WeakPolarHBondContact O-CA 3.35Å; L120-F125 PolarHBondContact O-N 2.9Å; L120-V128 HydrophobicContact CD1-CB 3.97Å; L120-V128 HydrophobicContact CD1-CG1 3.83Å; L120-V128 HydrophobicContact CD2-CB 3.97Å; L120-V128 HydrophobicContact CD2-CG1 4.15Å; L120-V128 HydrophobicContact CD2-CG2 4.07Å; L120-V130 HydrophobicContact CD1-CG2 3.49Å; L120-V130 VanDerWaalsContact CD1-CG2 3.49Å
121	Q	97.9	Very high	97.6	Very high	131 Å²	131	57 Å²	57	61%	0.612	29%	0.289	S	S	*	.	H	α-helix	trans	-65.1	-40.8	177.8	-177.9	178	2.5	0	0	112.5	R117 S118 V119 E123 D124	R117-Q121 VanDerWaalsContact O-CB 3.23Å; R117-Q121 WeakPolarHBondContact O-CB 3.16Å; R117-Q121 PolarHBondContact O-N 2.98Å; S118-Q121 PolarHBondContact O-N 3.42Å; V119-Q121 VanDerWaalsContact C-N 3.27Å; V119-Q121 PolarHBondContact O-N 3.23Å; Q121-E123 PolarHBondContact O-N 3.15Å; Q121-D124 PolarHBondContact O-N 2.89Å
122	T	97.6	Very high	97.6	Very high	91 Å²	91	62.2 Å²	62.2	56%	0.558	31%	0.313	S	S	*	.	H	α-helix	trans	-65.3	-29.4	177.4	-66	0	0	0	0	112.2	S118 V119 D124	S118-T122 PolarHBondContact O-N 3.17Å; S118-T122 VanDerWaalsContact O-N 3.07Å; S118-T122 PolarHBondContact O-OG1 3.09Å; V119-T122 PolarHBondContact O-N 3.09Å; V119-T122 VanDerWaalsContact O-N 3.14Å; T122-D124 VanDerWaalsContact C-N 3.31Å
123	E	97.6	Very high	97.6	Very high	78 Å²	78	62.8 Å²	62.8	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	12.7	177.6	-60.3	-73.8	131.3	0	0	112.8	V93 K97 V119 L120 Q121 F125	V93-E123 HydrophobicContact CG1-CB 4.06Å; V93-E123 HydrophobicContact CG1-CG 3.8Å; V93-E123 HydrophobicContact CG2-CB 4.32Å; V93-E123 HydrophobicContact CG2-CG 4.12Å; K97-E123 WeakPolarHBondContact CE-OE2 3.49Å; K97-E123 IonicContact NZ-OE2 3.31Å; K97-E123 PolarHBondContact NZ-OE2 3.48Å; V119-E123 WeakPolarHBondContact O-CG 3.34Å; V119-E123 PolarHBondContact O-N 2.9Å; V119-E123 VanDerWaalsContact O-N 3.17Å; L120-E123 CarbonylContact O-C 3.48Å; L120-E123 PolarHBondContact O-N 3.27Å; Q121-E123 PolarHBondContact O-N 3.15Å; E123-F125 VanDerWaalsContact C-N 3.27Å; E123-F125 HydrophobicContact CB-CD2 3.76Å; E123-F125 HydrophobicContact CB-CE2 4.17Å; E123-F125 WeakPolarHBondContact O-CD2 3.42Å; E123-F125 VanDerWaalsContact O-CE2 3.3Å; E123-F125 WeakPolarHBondContact O-CE2 3.25Å; E123-F125 PolarHBondContact O-N 3.17Å
124	D	97.4	Very high	97.5	Very high	145 Å²	145	65.7 Å²	65.7	78%	0.775	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	19.6	-179.7	-66.5	-46.7	0	0	0	115.8	L120 Q121 T122	L120-D124 PolarHBondContact O-N 2.92Å; Q121-D124 PolarHBondContact O-N 2.89Å; T122-D124 VanDerWaalsContact C-N 3.31Å
125	F	97.4	Very high	97.4	Very high	47 Å²	47	60.5 Å²	60.5	21%	0.206	31%	0.309	C	S	.	.			trans	-103.3	38.7	178	-63	-64.2	0	0	0	113.7	V93 A96 K97 L120 E123 N127 V128	V93-F125 HydrophobicContact CG1-CD2 4.46Å; V93-F125 HydrophobicContact CG1-CE2 4.45Å; A96-F125 HydrophobicContact CB-CB 4.38Å; A96-F125 HydrophobicContact CB-CD1 3.48Å; A96-F125 VanDerWaalsContact CB-CD1 3.48Å; A96-F125 HydrophobicContact CB-CD2 3.98Å; A96-F125 HydrophobicContact CB-CE1 3.59Å; A96-F125 HydrophobicContact CB-CE2 4.09Å; A96-F125 HydrophobicContact CB-CG 3.68Å; A96-F125 HydrophobicContact CB-CZ 3.9Å; K97-F125 HydrophobicContact CG-CE2 3.71Å; K97-F125 HydrophobicContact CG-CZ 3.84Å; L120-F125 HydrophobicContact CD2-CB 3.85Å; L120-F125 WeakPolarHBondContact O-CA 3.35Å; L120-F125 PolarHBondContact O-N 2.9Å; E123-F125 VanDerWaalsContact C-N 3.27Å; E123-F125 HydrophobicContact CB-CD2 3.76Å; E123-F125 HydrophobicContact CB-CE2 4.17Å; E123-F125 WeakPolarHBondContact O-CD2 3.42Å; E123-F125 VanDerWaalsContact O-CE2 3.3Å; E123-F125 WeakPolarHBondContact O-CE2 3.25Å; E123-F125 PolarHBondContact O-N 3.17Å; F125-N127 PolarHBondContact O-N 3.24Å; F125-V128 HydrophobicContact CB-CG2 4.17Å; F125-V128 PolarHBondContact O-N 2.94Å; F125-V128 VanDerWaalsContact O-N 3.11Å
126	S	89.9	Confident	97.3	Very high	97 Å²	97	62.8 Å²	62.8	68%	0.678	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-9.9	-177.5	62.6	0	0	0	0	115.6
127	N	91.9	Very high	97	Very high	119 Å²	119	66.4 Å²	66.4	64%	0.636	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-13.5	176.3	62.2	-60	0	0	0	113.8	F125	F125-N127 PolarHBondContact O-N 3.24Å
128	V	98.3	Very high	96.6	Very high	16 Å²	16	60.3 Å²	60.3	10%	0.097	32%	0.324	C	S	.	.	S	Bend	trans	-69.3	130.6	176.5	173.4	0	0	0	0	109.8	L92 L103 L120 F125	L92-V128 HydrophobicContact CB-CG1 4.27Å; L92-V128 HydrophobicContact CD1-CG1 4.12Å; L92-V128 HydrophobicContact CD2-CG1 4.27Å; L92-V128 HydrophobicContact CG-CG1 4.48Å; L103-V128 HydrophobicContact CB-CG1 3.82Å; L103-V128 HydrophobicContact CB-CG2 4.2Å; L103-V128 HydrophobicContact CD1-CG2 4.12Å; L120-V128 HydrophobicContact CD1-CB 3.97Å; L120-V128 HydrophobicContact CD1-CG1 3.83Å; L120-V128 HydrophobicContact CD2-CB 3.97Å; L120-V128 HydrophobicContact CD2-CG1 4.15Å; L120-V128 HydrophobicContact CD2-CG2 4.07Å; F125-V128 HydrophobicContact CB-CG2 4.17Å; F125-V128 PolarHBondContact O-N 2.94Å; F125-V128 VanDerWaalsContact O-N 3.11Å
129	E	97.9	Very high	95.7	Very high	95 Å²	95	63 Å²	63	44%	0.444	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	131.3	-178.2	-169.5	170.4	-145.3	0	0	110.4	L103 T104 G105 K131	L103-E129 PolarHBondContact O-N 3.49Å; T104-E129 CarbonylContact C-O 3.3Å; T104-E129 VanDerWaalsContact CA-O 3.29Å; T104-E129 WeakPolarHBondContact CA-O 3.27Å; G105-E129 PolarHBondContact N-O 3.45Å; E129-K131 HydrophobicContact CG-CG 4.2Å; E129-K131 WeakPolarHBondContact OE1-CE 3.41Å; E129-K131 IonicContact OE1-NZ 3.65Å; E129-K131 PolarHBondContact OE1-NZ 2.68Å; E129-K131 WeakPolarHBondContact OE2-CE 3.18Å; E129-K131 IonicContact OE2-NZ 2.69Å; E129-K131 PolarHBondContact OE2-NZ 2.93Å
130	V	98.7	Very high	94.7	Very high	2 Å²	2	66.7 Å²	66.7	1%	0.012	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.4	172	-171.3	0	0	0	0	109	T86 L92 G105 V113 A116 R117 L120	T86-V130 HydrophobicContact CG2-CG1 4.04Å; L92-V130 HydrophobicContact CD1-CG2 4.04Å; G105-V130 CarbonylContact O-C 3.53Å; G105-V130 VanDerWaalsContact O-CA 3.25Å; G105-V130 WeakPolarHBondContact O-CA 3.48Å; V113-V130 HydrophobicContact CB-CG1 4.37Å; V113-V130 HydrophobicContact CG1-CG1 4.02Å; V113-V130 HydrophobicContact CG2-CG1 4.31Å; A116-V130 HydrophobicContact CB-CG1 4.07Å; A116-V130 HydrophobicContact CB-CG2 4.39Å; R117-V130 HydrophobicContact CG-CB 3.92Å; R117-V130 HydrophobicContact CG-CG2 4.15Å; R117-V130 VanDerWaalsContact CZ-O 3.28Å; R117-V130 PolarHBondContact NE-O 3.22Å; R117-V130 VanDerWaalsContact NE-O 3.14Å; R117-V130 PolarHBondContact NH2-O 3.32Å; L120-V130 HydrophobicContact CD1-CG2 3.49Å; L120-V130 VanDerWaalsContact CD1-CG2 3.49Å
131	K	98.2	Very high	94.3	Very high	67 Å²	67	72.8 Å²	72.8	29%	0.291	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.1	-176	-58.4	175.4	-175.3	159.1	0	112.3	G105 I106 D107 V113 E129 V133	G105-K131 PolarHBondContact O-N 2.71Å; I106-K131 WeakPolarHBondContact CA-O 3.27Å; I106-K131 HydrophobicContact CG2-CB 4.32Å; D107-K131 PolarHBondContact N-O 3.11Å; D107-K131 VanDerWaalsContact N-O 3.17Å; V113-K131 WeakPolarHBondContact CG2-O 3.3Å; E129-K131 HydrophobicContact CG-CG 4.2Å; E129-K131 WeakPolarHBondContact OE1-CE 3.41Å; E129-K131 IonicContact OE1-NZ 3.65Å; E129-K131 PolarHBondContact OE1-NZ 2.68Å; E129-K131 WeakPolarHBondContact OE2-CE 3.18Å; E129-K131 IonicContact OE2-NZ 2.69Å; E129-K131 PolarHBondContact OE2-NZ 2.93Å; K131-V133 HydrophobicContact CB-CG2 3.7Å; K131-V133 PolarHBondContact O-N 2.92Å
132	E	98.2	Very high	94.2	Very high	120 Å²	120	67 Å²	67	56%	0.561	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	105.8	165.9	-173.1	177.8	169.7	0	0	108.3	D107 A110 V113	D107-E132 CarbonylContact O-C 3.6Å; D107-E132 VanDerWaalsContact O-CA 3.26Å; D107-E132 WeakPolarHBondContact O-CA 3.36Å; A110-E132 WeakPolarHBondContact CB-OE2 3.47Å; V113-E132 HydrophobicContact CG2-CB 4.05Å
133	V	98.1	Very high	94.1	Very high	11 Å²	11	65.8 Å²	65.8	7%	0.067	38%	0.378	C	S	.	.			trans	-142.8	126.8	-176.3	177.7	0	0	0	0	108.7	I106 D107 Y108 K131 F135 C138 L142	I106-V133 HydrophobicContact CB-CB 4.13Å; I106-V133 HydrophobicContact CG2-CB 4.06Å; I106-V133 HydrophobicContact CG2-CG2 4.03Å; D107-V133 CarbonylContact C-O 3.56Å; D107-V133 VanDerWaalsContact C-O 3.29Å; D107-V133 PolarHBondContact O-N 2.59Å; Y108-V133 WeakPolarHBondContact CA-O 3.4Å; Y108-V133 PolarHBondContact N-O 3.09Å; K131-V133 HydrophobicContact CB-CG2 3.7Å; K131-V133 PolarHBondContact O-N 2.92Å; V133-F135 PolarHBondContact O-N 2.91Å; V133-C138 HydrophobicContact CG1-CB 3.36Å; V133-L142 HydrophobicContact CG1-CD1 4.3Å
134	D	97.4	Very high	94.1	Very high	68 Å²	68	67 Å²	67	36%	0.364	39%	0.387	S	S	.	.			trans	-81.7	106	165.1	173.8	15.8	0	0	0	109.5	L136 S137 C138	D134-L136 PolarHBondContact O-N 3.39Å; D134-L136 VanDerWaalsContact O-N 3.14Å; D134-L136 PolarHBondContact OD1-N 2.82Å; D134-S137 WeakPolarHBondContact CB-OG 3.5Å; D134-S137 CarbonylContact O-C 3.56Å; D134-S137 PolarHBondContact O-N 2.89Å; D134-S137 PolarHBondContact O-OG 2.91Å; D134-S137 PolarHBondContact OD2-OG 2.86Å; D134-C138 WeakPolarHBondContact O-CB 3.42Å; D134-C138 PolarHBondContact O-N 2.83Å
135	F	97.6	Very high	94.2	Very high	10 Å²	10	60.8 Å²	60.8	4%	0.044	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.7	-176.3	-165.8	-115.9	0	0	0	113.3	L82 I84 I106 V133 S137 C138 L142 Y171 S174 L175 A178	L82-F135 HydrophobicContact CD2-CE2 4.33Å; I84-F135 HydrophobicContact CD1-CE1 3.99Å; I84-F135 HydrophobicContact CD1-CE2 4.18Å; I84-F135 HydrophobicContact CD1-CZ 3.63Å; I84-F135 HydrophobicContact CG1-CE2 4.29Å; I84-F135 HydrophobicContact CG1-CZ 4.21Å; I84-F135 HydrophobicContact CG2-CB 4.38Å; I84-F135 HydrophobicContact CG2-CD1 3.76Å; I84-F135 HydrophobicContact CG2-CD2 4.25Å; I84-F135 HydrophobicContact CG2-CE1 4.01Å; I84-F135 HydrophobicContact CG2-CE2 4.47Å; I84-F135 HydrophobicContact CG2-CG 3.87Å; I84-F135 HydrophobicContact CG2-CZ 4.34Å; I106-F135 HydrophobicContact CD1-CB 4.07Å; I106-F135 HydrophobicContact CD1-CD2 3.4Å; I106-F135 VanDerWaalsContact CD1-CD2 3.4Å; I106-F135 HydrophobicContact CD1-CE2 4.13Å; I106-F135 HydrophobicContact CD1-CG 4.03Å; V133-F135 PolarHBondContact O-N 2.91Å; F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 PolarHBondContact O-N 2.79Å; F135-C138 PolarHBondContact O-SG 3.34Å; F135-C138 VanDerWaalsContact O-SG 3.42Å; F135-L142 HydrophobicContact CD2-CD1 4Å; F135-L142 HydrophobicContact CE2-CD1 4.08Å; F135-Y171 AromaticContact CD1-CD2 3.51Å; F135-Y171 HydrophobicContact CD1-CD2 3.51Å; F135-Y171 AromaticContact CD1-CE2 3.71Å; F135-Y171 HydrophobicContact CD1-CE2 3.71Å; F135-Y171 HydrophobicContact CD1-CG 4.27Å; F135-Y171 AromaticContact CE1-CD2 3.64Å; F135-Y171 HydrophobicContact CE1-CD2 3.64Å; F135-Y171 HydrophobicContact CE1-CE1 4.48Å; F135-Y171 AromaticContact CE1-CE2 3.63Å; F135-Y171 HydrophobicContact CE1-CE2 3.63Å; F135-Y171 HydrophobicContact CE1-CG 4.11Å; F135-S174 WeakPolarHBondContact O-CB 3.5Å; F135-S174 PolarHBondContact O-OG 3.44Å; F135-L175 HydrophobicContact CE1-CB 4.32Å; F135-L175 HydrophobicContact CZ-CB 4.14Å; F135-A178 HydrophobicContact CE2-CB 4.47Å
136	L	96.1	Very high	94.2	Very high	49 Å²	49	61.1 Å²	61.1	26%	0.257	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.1	176.6	-58.2	-173.5	0	0	0	112.8	D134 I157 G167 C170	D134-L136 PolarHBondContact O-N 3.39Å; D134-L136 VanDerWaalsContact O-N 3.14Å; D134-L136 PolarHBondContact OD1-N 2.82Å; L136-I157 HydrophobicContact CD1-CG1 4.41Å; L136-I157 HydrophobicContact CD1-CG2 4.48Å; L136-I157 HydrophobicContact CD2-CD1 3.87Å; L136-I157 HydrophobicContact CD2-CG1 4.45Å; L136-I157 HydrophobicContact CG-CD1 4.48Å; L136-G167 VanDerWaalsContact CD2-O 3.25Å; L136-G167 WeakPolarHBondContact CD2-O 3.36Å; L136-C170 HydrophobicContact CB-CB 4.27Å; L136-C170 HydrophobicContact CD2-CB 4.2Å
137	S	93.3	Very high	94.7	Very high	76 Å²	76	56.6 Å²	56.6	53%	0.531	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	11.8	-176	61.1	0	0	0	0	114.8	D134 F135 S139	D134-S137 WeakPolarHBondContact CB-OG 3.5Å; D134-S137 CarbonylContact O-C 3.56Å; D134-S137 PolarHBondContact O-N 2.89Å; D134-S137 PolarHBondContact O-OG 2.91Å; D134-S137 PolarHBondContact OD2-OG 2.86Å; F135-S137 VanDerWaalsContact C-N 3.26Å; F135-S137 PolarHBondContact O-N 2.79Å; S137-S139 VanDerWaalsContact C-N 3.3Å; S137-S139 PolarHBondContact O-N 2.8Å
138	C	89.4	Confident	95	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.034	30%	0.295	C	S	.	.			trans	-86	26.8	-175	72.1	0	0	0	0	115.6	V133 D134 F135 G140 E141 L142	V133-C138 HydrophobicContact CG1-CB 3.36Å; D134-C138 WeakPolarHBondContact O-CB 3.42Å; D134-C138 PolarHBondContact O-N 2.83Å; F135-C138 PolarHBondContact O-SG 3.34Å; F135-C138 VanDerWaalsContact O-SG 3.42Å; C138-G140 PolarHBondContact O-N 3.49Å; C138-E141 HydrophobicContact CB-CB 4.37Å; C138-E141 WeakPolarHBondContact O-CB 3.49Å; C138-E141 PolarHBondContact O-N 2.84Å; C138-L142 HydrophobicContact CB-CD1 4.49Å
139	S	79.9	Confident	95	Very high	89 Å²	89	50.2 Å²	50.2	62%	0.622	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	114	-172.3	-77	0	0	0	0	112.4	S137	S137-S139 VanDerWaalsContact C-N 3.3Å; S137-S139 PolarHBondContact O-N 2.8Å
140	G	77.7	Confident	95.1	Very high	82 Å²	82	45.7 Å²	45.7	85%	0.845	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	2.5	178.8	0	0	0	0	0	115.4	C138	C138-G140 PolarHBondContact O-N 3.49Å
141	E	89.6	Confident	95	Very high	130 Å²	130	47.3 Å²	47.3	61%	0.607	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-24.4	176.6	-63.2	-176	-136.5	0	0	113.1	C138	C138-E141 HydrophobicContact CB-CB 4.37Å; C138-E141 WeakPolarHBondContact O-CB 3.49Å; C138-E141 PolarHBondContact O-N 2.84Å
142	L	95.9	Very high	94.8	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	27%	0.27	C	S	.	.	S	Bend	trans	-122.6	127.7	-178.8	-57.8	174.7	0	0	0	109	L82 I106 V133 F135 C138 F145 G177 A178	L82-L142 HydrophobicContact CD2-CD1 4.12Å; I106-L142 HydrophobicContact CD1-CD1 3.8Å; I106-L142 HydrophobicContact CG2-CD1 4.4Å; I106-L142 HydrophobicContact CG2-CD2 4.41Å; V133-L142 HydrophobicContact CG1-CD1 4.3Å; F135-L142 HydrophobicContact CD2-CD1 4Å; F135-L142 HydrophobicContact CE2-CD1 4.08Å; C138-L142 HydrophobicContact CB-CD1 4.49Å; L142-F145 HydrophobicContact CB-CE2 4.14Å; L142-F145 HydrophobicContact CD2-CE2 4.23Å; L142-G177 CarbonylContact O-C 3.55Å; L142-A178 HydrophobicContact CB-CB 4.03Å; L142-A178 WeakPolarHBondContact O-CA 3.25Å
143	S	96.6	Very high	94.8	Very high	65 Å²	65	40.4 Å²	40.4	46%	0.455	25%	0.251	S	S	.	.			trans	-154.8	167.8	176.7	67	0	0	0	0	110.3	F145 A178	S143-F145 VanDerWaalsContact C-N 3.31Å; S143-F145 PolarHBondContact O-N 3.4Å; S143-A178 CarbonylContact C-O 3.56Å; S143-A178 VanDerWaalsContact C-O 3.3Å
144	D	96.9	Very high	94.8	Very high	103 Å²	103	39.9 Å²	39.9	55%	0.551	25%	0.248	S	C	*	.			trans	63.7	30.6	168.3	-51.6	-63.3	0	0	0	115	A178 K180	D144-A178 PolarHBondContact N-O 3.44Å; D144-A178 VanDerWaalsContact N-O 3.17Å; D144-K180 HydrophobicContact CB-CG 4.48Å; D144-K180 WeakPolarHBondContact O-CE 3.33Å; D144-K180 PolarHBondContact O-NZ 2.95Å
145	F	98.6	Very high	94.7	Very high	16 Å²	16	36.9 Å²	36.9	7%	0.07	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.1	168.5	-68.2	-78.9	0	0	0	111.5	A80 L82 T104 L142 S143 A178 L179 K180	A80-F145 HydrophobicContact CB-CD1 4.01Å; A80-F145 CarbonylContact O-C 3.51Å; L82-F145 HydrophobicContact CB-CB 4.37Å; L82-F145 HydrophobicContact CB-CD1 3.62Å; L82-F145 HydrophobicContact CB-CD2 4.06Å; L82-F145 HydrophobicContact CB-CE1 3.83Å; L82-F145 HydrophobicContact CB-CE2 4.25Å; L82-F145 HydrophobicContact CB-CG 3.75Å; L82-F145 HydrophobicContact CB-CZ 4.14Å; L82-F145 HydrophobicContact CD1-CE1 4.29Å; L82-F145 HydrophobicContact CD1-CE2 4.22Å; L82-F145 HydrophobicContact CD1-CZ 3.94Å; L82-F145 HydrophobicContact CD2-CD2 4.1Å; L82-F145 HydrophobicContact CD2-CE2 4.12Å; L82-F145 HydrophobicContact CG-CE2 4.44Å; L82-F145 HydrophobicContact CG-CZ 4.46Å; T104-F145 HydrophobicContact CG2-CZ 4.2Å; L142-F145 HydrophobicContact CB-CE2 4.14Å; L142-F145 HydrophobicContact CD2-CE2 4.23Å; S143-F145 VanDerWaalsContact C-N 3.31Å; S143-F145 PolarHBondContact O-N 3.4Å; F145-A178 HydrophobicContact CD2-CB 4.31Å; F145-A178 WeakPolarHBondContact CD2-O 3.48Å; F145-A178 PolarHBondContact N-O 3.5Å; F145-L179 CarbonylContact O-C 3.5Å; F145-K180 PolarHBondContact O-N 3.18Å
146	D	98.8	Very high	94.5	Very high	53 Å²	53	37.1 Å²	37.1	28%	0.283	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-35	173.1	-61.9	-66.8	0	0	0	110.8	A79 A80 K180 G183 L184	A79-D146 HydrophobicContact CB-CB 4.05Å; A80-D146 WeakPolarHBondContact CB-OD2 3.37Å; A80-D146 PolarHBondContact N-OD2 3.18Å; A80-D146 PolarHBondContact O-N 3.41Å; D146-K180 WeakPolarHBondContact OD1-CD 3.36Å; D146-K180 IonicContact OD1-NZ 2.75Å; D146-K180 PolarHBondContact OD1-NZ 3.02Å; D146-K180 IonicContact OD2-NZ 3.26Å; D146-K180 PolarHBondContact OD2-NZ 2.98Å; D146-G183 CarbonylContact O-C 3.55Å; D146-G183 WeakPolarHBondContact O-CA 3.38Å; D146-L184 PolarHBondContact O-N 2.69Å
147	V	98.9	Very high	94.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.1	178.9	-172.2	0	0	0	0	110.3	I75 A80 I81 L82 I149 L184 I186	I75-V147 HydrophobicContact CG2-CG2 4.15Å; A80-V147 PolarHBondContact O-N 3.02Å; A80-V147 VanDerWaalsContact O-N 3.08Å; I81-V147 CarbonylContact C-O 3.59Å; I81-V147 WeakPolarHBondContact CA-O 3.45Å; I81-V147 HydrophobicContact CG1-CB 4.03Å; I81-V147 HydrophobicContact CG1-CG2 4.33Å; I81-V147 HydrophobicContact CG2-CB 4.46Å; L82-V147 PolarHBondContact N-O 3.04Å; V147-I149 HydrophobicContact CG1-CD1 4.43Å; V147-I149 HydrophobicContact CG1-CG1 3.93Å; V147-L184 CarbonylContact C-O 3.54Å; V147-L184 VanDerWaalsContact CA-O 3.28Å; V147-L184 WeakPolarHBondContact CA-O 3.41Å; V147-L184 HydrophobicContact CG1-CB 4.49Å; V147-L184 HydrophobicContact CG2-CB 4.4Å; V147-I186 HydrophobicContact CG1-CD1 3.82Å; V147-I186 HydrophobicContact CG1-CG1 4.07Å
148	C	98.9	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.6	166.9	-74.1	0	0	0	0	108.8	L82 I84 L175 L179 L184 F185 I186	L82-C148 CarbonylContact O-C 3.6Å; L82-C148 WeakPolarHBondContact O-CA 3.42Å; I84-C148 HydrophobicContact CD1-CB 3.97Å; C148-L175 HydrophobicContact CB-CD1 3.73Å; C148-L179 HydrophobicContact CB-CD1 4.15Å; C148-L179 HydrophobicContact CB-CD2 3.78Å; C148-L179 HydrophobicContact CB-CG 3.93Å; C148-L179 WeakPolarHBondContact SG-CD2 3.25Å; C148-L179 VanDerWaalsContact SG-CG 3.52Å; C148-L184 PolarHBondContact N-O 3.31Å; C148-F185 HydrophobicContact CB-CD2 4.33Å; C148-F185 CarbonylContact O-C 3.58Å; C148-F185 WeakPolarHBondContact O-CA 3.44Å; C148-I186 PolarHBondContact O-N 2.98Å
149	I	98.9	Very high	94.7	Very high	2 Å²	2	33 Å²	33	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.8	-178.7	-50	178.5	0	0	0	108.4	V66 M70 I81 L82 I84 L91 L95 V147 I186	V66-I149 HydrophobicContact CG1-CD1 4.19Å; M70-I149 HydrophobicContact SD-CD1 4.08Å; I81-I149 HydrophobicContact CG2-CD1 3.87Å; I81-I149 HydrophobicContact CG2-CG1 4.29Å; L82-I149 PolarHBondContact O-N 2.98Å; I84-I149 WeakPolarHBondContact CB-O 3.36Å; I84-I149 PolarHBondContact N-O 3.06Å; L91-I149 HydrophobicContact CD2-CB 4.43Å; L91-I149 HydrophobicContact CD2-CG2 3.82Å; L95-I149 HydrophobicContact CD1-CD1 4.17Å; L95-I149 HydrophobicContact CD2-CD1 4.41Å; V147-I149 HydrophobicContact CG1-CD1 4.43Å; V147-I149 HydrophobicContact CG1-CG1 3.93Å; I149-I186 CarbonylContact C-O 3.58Å; I149-I186 WeakPolarHBondContact CA-O 3.35Å; I149-I186 HydrophobicContact CD1-CD1 4.36Å; I149-I186 HydrophobicContact CG1-CB 4.27Å; I149-I186 HydrophobicContact CG1-CD1 4.13Å; I149-I186 HydrophobicContact CG1-CG1 4.41Å; I149-I186 HydrophobicContact CG2-CB 4.28Å; I149-I186 HydrophobicContact CG2-CG2 4.42Å
150	D	98.6	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.5	170.1	-177.6	-49.2	0	0	0	108.7	G152 T153 F154 Y171 F185 I186 I187 T188	D150-G152 PolarHBondContact OD1-N 3.45Å; D150-T153 PolarHBondContact OD1-N 3.28Å; D150-T153 WeakPolarHBondContact OD2-CB 3.48Å; D150-F154 PolarHBondContact OD1-N 3.04Å; D150-F154 PolarHBondContact OD2-N 2.93Å; D150-Y171 VanDerWaalsContact CB-OH 3.25Å; D150-Y171 WeakPolarHBondContact CB-OH 3.26Å; D150-Y171 VanDerWaalsContact CG-OH 3.29Å; D150-Y171 WeakPolarHBondContact OD2-CE2 3.32Å; D150-Y171 VanDerWaalsContact OD2-CZ 3.27Å; D150-Y171 PolarHBondContact OD2-OH 3.49Å; D150-F185 HydrophobicContact CB-CE2 3.84Å; D150-F185 HydrophobicContact CB-CZ 4.23Å; D150-I186 PolarHBondContact N-O 3.09Å; D150-I187 HydrophobicContact CB-CG1 4.36Å; D150-I187 CarbonylContact O-C 3.57Å; D150-I187 WeakPolarHBondContact O-CA 3.28Å; D150-T188 PolarHBondContact O-N 2.73Å
151	K	96.6	Very high	95.6	Very high	35 Å²	35	30.3 Å²	30.3	15%	0.152	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	67.2	175	-167.1	-163.8	56	47.3	0	110.7	W57 F58 M63	W57-K151 VanDerWaalsContact O-CE 3.31Å; W57-K151 WeakPolarHBondContact O-CE 3.46Å; W57-K151 PolarHBondContact O-NZ 3.34Å; F58-K151 HydrophobicContact CD2-CG 3.76Å; F58-K151 HydrophobicContact CE2-CG 4.48Å; M63-K151 HydrophobicContact CG-CD 4.25Å
152	G	95.4	Very high	95.2	Very high	14 Å²	14	31.8 Å²	31.8	14%	0.144	18%	0.178	C	C	.	.	S	Bend	trans	106.3	4	171	0	0	0	0	0	114.6	D150 D155 A156 T188	D150-G152 PolarHBondContact OD1-N 3.45Å; G152-D155 WeakPolarHBondContact O-CB 3.17Å; G152-D155 PolarHBondContact O-N 3.04Å; G152-A156 PolarHBondContact O-N 3.39Å; G152-T188 PolarHBondContact N-O 2.89Å
153	T	97.6	Very high	94.4	Very high	29 Å²	29	35.5 Å²	35.5	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-75.2	-43.7	-179.8	-57.9	0	0	0	0	110.2	I84 G85 D150 D155 A156 I157	I84-T153 HydrophobicContact CG2-CG2 4.13Å; I84-T153 WeakPolarHBondContact O-CB 3.39Å; I84-T153 PolarHBondContact O-OG1 3.1Å; G85-T153 WeakPolarHBondContact CA-OG1 3.42Å; D150-T153 PolarHBondContact OD1-N 3.28Å; D150-T153 WeakPolarHBondContact OD2-CB 3.48Å; T153-D155 PolarHBondContact O-N 3.39Å; T153-A156 PolarHBondContact O-N 3.15Å; T153-I157 HydrophobicContact CG2-CD1 4.2Å; T153-I157 WeakPolarHBondContact O-CD1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.37Å; T153-I157 PolarHBondContact O-N 3.14Å
154	F	97.1	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-35.2	171.5	-168.4	-105.3	0	0	0	112.5	D150 I157 S158 K168 Y171 I187 W192 M200 F201	D150-F154 PolarHBondContact OD1-N 3.04Å; D150-F154 PolarHBondContact OD2-N 2.93Å; F154-I157 PolarHBondContact O-N 3.12Å; F154-S158 WeakPolarHBondContact O-CB 3.34Å; F154-S158 PolarHBondContact O-N 3.38Å; F154-S158 PolarHBondContact O-OG 3.39Å; F154-K168 HydrophobicContact CE2-CB 4.18Å; F154-K168 HydrophobicContact CE2-CG 3.9Å; F154-K168 HydrophobicContact CZ-CB 4.25Å; F154-K168 HydrophobicContact CZ-CD 4.02Å; F154-K168 HydrophobicContact CZ-CG 3.79Å; F154-Y171 HydrophobicContact CB-CE2 4.36Å; F154-Y171 AromaticContact CD2-CD1 3.49Å; F154-Y171 HydrophobicContact CD2-CD1 3.49Å; F154-Y171 VanDerWaalsContact CD2-CD1 3.49Å; F154-Y171 HydrophobicContact CD2-CD2 4.11Å; F154-Y171 AromaticContact CD2-CE1 3.74Å; F154-Y171 HydrophobicContact CD2-CE1 3.74Å; F154-Y171 HydrophobicContact CD2-CE2 4.28Å; F154-Y171 AromaticContact CD2-CG 3.71Å; F154-Y171 HydrophobicContact CD2-CG 3.71Å; F154-Y171 AromaticContact CE2-CD1 3.83Å; F154-Y171 HydrophobicContact CE2-CD1 3.83Å; F154-Y171 HydrophobicContact CE2-CE1 4.39Å; F154-Y171 HydrophobicContact CE2-CG 4.15Å; F154-Y171 HydrophobicContact CG-CE1 4.45Å; F154-I187 HydrophobicContact CB-CD1 3.85Å; F154-I187 HydrophobicContact CD1-CD1 4.09Å; F154-I187 HydrophobicContact CG-CD1 4.13Å; F154-W192 AromaticContact CD1-CD1 3.84Å; F154-W192 AromaticContact CD1-NE1 3.68Å; F154-W192 AromaticContact CE1-CD1 3.96Å; F154-W192 HydrophobicContact CE1-CZ2 4.48Å; F154-W192 AromaticContact CE1-NE1 3.54Å; F154-M200 HydrophobicContact CE1-CE 3.88Å; F154-M200 HydrophobicContact CE1-SD 3.81Å; F154-M200 HydrophobicContact CZ-CE 4.45Å; F154-M200 HydrophobicContact CZ-SD 3.82Å; F154-F201 HydrophobicContact CD2-CZ 4.27Å; F154-F201 HydrophobicContact CE1-CE2 4.37Å; F154-F201 HydrophobicContact CE1-CZ 4.43Å; F154-F201 HydrophobicContact CE2-CZ 4.12Å; F154-F201 HydrophobicContact CG-CZ 4.48Å; F154-F201 HydrophobicContact CZ-CE2 4.43Å; F154-F201 HydrophobicContact CZ-CZ 4.2Å
155	D	95.4	Very high	93.4	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-46.7	173	-80.1	-42.5	0	0	0	111.8	F58 G152 T153 I157 S158 L159 S189 C190 N191	F58-D155 VanDerWaalsContact CZ-OD2 3.31Å; F58-D155 WeakPolarHBondContact CZ-OD2 3.49Å; G152-D155 WeakPolarHBondContact O-CB 3.17Å; G152-D155 PolarHBondContact O-N 3.04Å; T153-D155 PolarHBondContact O-N 3.39Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.42Å; D155-S158 WeakPolarHBondContact O-CB 3.31Å; D155-S158 PolarHBondContact O-N 3.22Å; D155-S158 VanDerWaalsContact O-N 3.16Å; D155-L159 WeakPolarHBondContact O-CG 3.04Å; D155-L159 PolarHBondContact O-N 3.28Å; D155-S189 PolarHBondContact OD1-OG 2.81Å; D155-S189 WeakPolarHBondContact OD2-CA 3.18Å; D155-S189 WeakPolarHBondContact OD2-CB 3.35Å; D155-C190 PolarHBondContact OD2-N 3.16Å; D155-N191 WeakPolarHBondContact CB-ND2 3.18Å; D155-N191 WeakPolarHBondContact OD1-CB 3.43Å; D155-N191 PolarHBondContact OD1-N 3.49Å; D155-N191 VanDerWaalsContact OD1-N 3.15Å; D155-N191 PolarHBondContact OD1-ND2 3.49Å
156	A	95.3	Very high	93.1	Very high	14 Å²	14	38 Å²	38	12%	0.116	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-45.5	176.6	0	0	0	0	0	111.2	L30 G31 W36 G152 T153 S158 L159	L30-A156 WeakPolarHBondContact O-CB 2.83Å; G31-A156 WeakPolarHBondContact CA-O 3.01Å; W36-A156 HydrophobicContact CZ2-CB 4.13Å; G152-A156 PolarHBondContact O-N 3.39Å; T153-A156 PolarHBondContact O-N 3.15Å; A156-S158 VanDerWaalsContact C-N 3.26Å; A156-S158 PolarHBondContact O-N 2.89Å; A156-L159 PolarHBondContact O-N 3.32Å
157	I	95.1	Very high	92.8	Very high	21 Å²	21	35.8 Å²	35.8	11%	0.108	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-40.9	175.7	-67.5	158.8	0	0	0	111.1	L136 T153 F154 D155 L159 N160 Y171	L136-I157 HydrophobicContact CD1-CG1 4.41Å; L136-I157 HydrophobicContact CD1-CG2 4.48Å; L136-I157 HydrophobicContact CD2-CD1 3.87Å; L136-I157 HydrophobicContact CD2-CG1 4.45Å; L136-I157 HydrophobicContact CG-CD1 4.48Å; T153-I157 HydrophobicContact CG2-CD1 4.2Å; T153-I157 WeakPolarHBondContact O-CD1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.37Å; T153-I157 PolarHBondContact O-N 3.14Å; F154-I157 PolarHBondContact O-N 3.12Å; D155-I157 VanDerWaalsContact C-N 3.34Å; D155-I157 PolarHBondContact O-N 3.42Å; I157-L159 PolarHBondContact O-N 2.79Å; I157-N160 VanDerWaalsContact O-CB 3.27Å; I157-N160 WeakPolarHBondContact O-CB 3.23Å; I157-N160 PolarHBondContact O-N 3.46Å; I157-N160 VanDerWaalsContact O-N 3.14Å; I157-Y171 HydrophobicContact CD1-CD2 3.44Å; I157-Y171 VanDerWaalsContact CD1-CD2 3.44Å; I157-Y171 HydrophobicContact CD1-CE2 4.11Å; I157-Y171 HydrophobicContact CD1-CG 4.26Å
158	S	93.6	Very high	92.6	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-12.9	178.8	-55.2	0	0	0	0	113.7	F154 D155 A156 T164 W192	F154-S158 WeakPolarHBondContact O-CB 3.34Å; F154-S158 PolarHBondContact O-N 3.38Å; F154-S158 PolarHBondContact O-OG 3.39Å; D155-S158 WeakPolarHBondContact O-CB 3.31Å; D155-S158 PolarHBondContact O-N 3.22Å; D155-S158 VanDerWaalsContact O-N 3.16Å; A156-S158 VanDerWaalsContact C-N 3.26Å; A156-S158 PolarHBondContact O-N 2.89Å; S158-T164 VanDerWaalsContact O-CG2 3.24Å; S158-T164 WeakPolarHBondContact O-CG2 3.31Å; S158-W192 PolarHBondContact OG-NE1 3.25Å
159	L	93	Very high	92.4	Very high	17 Å²	17	39 Å²	39	9%	0.089	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	1.3	177	-65.1	173.5	0	0	0	113.2	F25 P27 S28 L30 D155 A156 I157	F25-L159 HydrophobicContact CB-CD2 4.1Å; P27-L159 VanDerWaalsContact CA-O 3.3Å; P27-L159 WeakPolarHBondContact CA-O 3.3Å; S28-L159 PolarHBondContact N-O 3.06Å; L30-L159 HydrophobicContact CB-CD1 3.85Å; L30-L159 HydrophobicContact CD1-CD1 4.27Å; D155-L159 WeakPolarHBondContact O-CG 3.04Å; D155-L159 PolarHBondContact O-N 3.28Å; A156-L159 PolarHBondContact O-N 3.32Å; I157-L159 PolarHBondContact O-N 2.79Å
160	N	90.7	Very high	92.2	Very high	44 Å²	44	40.4 Å²	40.4	24%	0.235	23%	0.225	C	C	.	.			trans	-65.9	131.5	-178.6	-172.6	-50.8	0	0	0	110.8	G31 I157 E162 N163 T164	G31-N160 PolarHBondContact O-ND2 2.85Å; I157-N160 VanDerWaalsContact O-CB 3.27Å; I157-N160 WeakPolarHBondContact O-CB 3.23Å; I157-N160 PolarHBondContact O-N 3.46Å; I157-N160 VanDerWaalsContact O-N 3.14Å; N160-E162 PolarHBondContact OD1-N 2.94Å; N160-N163 PolarHBondContact OD1-N 2.9Å; N160-T164 PolarHBondContact O-OG1 2.87Å
161	P	85.2	Confident	92.2	Very high	72 Å²	72	40.4 Å²	40.4	47%	0.468	23%	0.225	S	C	.	.	S	Bend	trans	-77.9	-19.1	-176.3	29.1	-34.5	0	0	0	115.9	P27 T32	P27-P161 HydrophobicContact CB-CB 3.85Å; T32-P161 HydrophobicContact CG2-CG 4.26Å
162	E	82	Confident	92.1	Very high	160 Å²	160	40.3 Å²	40.3	75%	0.748	23%	0.226	S	C	*	.	S	Bend	trans	-108.2	-38.6	-169.6	-66	-172.5	169.7	0	0	113.1	N160	N160-E162 PolarHBondContact OD1-N 2.94Å
163	N	78.7	Confident	92.1	Very high	89 Å²	89	45.7 Å²	45.7	48%	0.476	25%	0.247	S	C	.	.			trans	-139	42.4	-168.4	-62.1	-45.7	0	0	0	113.7	N160 E165 G167	N160-N163 PolarHBondContact OD1-N 2.9Å; N163-E165 PolarHBondContact O-N 2.96Å; N163-G167 PolarHBondContact O-N 3.35Å
164	T	84.3	Confident	92.1	Very high	25 Å²	25	44.7 Å²	44.7	15%	0.153	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-51.4	-173.6	-30.4	0	0	0	0	113.4	D23 S158 N160 G167 K168	D23-T164 VanDerWaalsContact OD2-CG2 3.28Å; D23-T164 WeakPolarHBondContact OD2-CG2 3.34Å; S158-T164 VanDerWaalsContact O-CG2 3.24Å; S158-T164 WeakPolarHBondContact O-CG2 3.31Å; N160-T164 PolarHBondContact O-OG1 2.87Å; T164-G167 PolarHBondContact O-N 3.07Å; T164-K168 WeakPolarHBondContact O-CG 3.48Å; T164-K168 PolarHBondContact O-N 3.02Å
165	E	89	Confident	92.1	Very high	82 Å²	82	44.7 Å²	44.7	38%	0.383	24%	0.241	S	C	.	.	H	α-helix	trans	-67.6	-43.4	-177.2	-66.7	-56.6	143.5	0	0	112.6	N163 K168 A169	N163-E165 PolarHBondContact O-N 2.96Å; E165-K168 VanDerWaalsContact CD-NZ 3.28Å; E165-K168 PolarHBondContact O-N 3.38Å; E165-K168 WeakPolarHBondContact OE1-CE 3.49Å; E165-K168 IonicContact OE1-NZ 2.93Å; E165-K168 PolarHBondContact OE1-NZ 2.99Å; E165-K168 WeakPolarHBondContact OE2-CE 3.22Å; E165-K168 IonicContact OE2-NZ 3.02Å; E165-K168 PolarHBondContact OE2-NZ 3.13Å; E165-A169 PolarHBondContact O-N 2.87Å
166	E	91.4	Very high	92.1	Very high	129 Å²	129	48.4 Å²	48.4	60%	0.603	26%	0.255	S	S	*	.	H	α-helix	trans	-64.1	-43.3	175.7	-175.5	172.7	-169.1	0	0	110.7	K168 A169 C170	E166-K168 PolarHBondContact O-N 2.86Å; E166-A169 PolarHBondContact O-N 3.2Å; E166-C170 WeakPolarHBondContact O-CB 3.43Å; E166-C170 PolarHBondContact O-N 3.42Å; E166-C170 PolarHBondContact O-SG 3.34Å; E166-C170 VanDerWaalsContact O-SG 3.37Å
167	G	93.9	Very high	92.1	Very high	6 Å²	6	49.8 Å²	49.8	6%	0.062	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-44	175.7	0	0	0	0	0	112.7	L136 N163 T164 A169 C170 Y171	L136-G167 VanDerWaalsContact CD2-O 3.25Å; L136-G167 WeakPolarHBondContact CD2-O 3.36Å; N163-G167 PolarHBondContact O-N 3.35Å; T164-G167 PolarHBondContact O-N 3.07Å; G167-A169 PolarHBondContact O-N 3.44Å; G167-C170 PolarHBondContact O-N 3Å; G167-Y171 WeakPolarHBondContact O-CB 3.48Å; G167-Y171 PolarHBondContact O-N 2.85Å
168	K	94.1	Very high	92.3	Very high	10 Å²	10	48.8 Å²	48.8	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-42.6	174.5	-72.3	-178.7	-62.3	-172.5	0	111.7	D23 F154 T164 E165 E166 Y171 I172 W192 M200	D23-K168 IonicContact OD1-NZ 2.82Å; D23-K168 PolarHBondContact OD1-NZ 3.38Å; D23-K168 IonicContact OD2-NZ 2.68Å; D23-K168 PolarHBondContact OD2-NZ 3.01Å; F154-K168 HydrophobicContact CE2-CB 4.18Å; F154-K168 HydrophobicContact CE2-CG 3.9Å; F154-K168 HydrophobicContact CZ-CB 4.25Å; F154-K168 HydrophobicContact CZ-CD 4.02Å; F154-K168 HydrophobicContact CZ-CG 3.79Å; T164-K168 WeakPolarHBondContact O-CG 3.48Å; T164-K168 PolarHBondContact O-N 3.02Å; E165-K168 VanDerWaalsContact CD-NZ 3.28Å; E165-K168 PolarHBondContact O-N 3.38Å; E165-K168 WeakPolarHBondContact OE1-CE 3.49Å; E165-K168 IonicContact OE1-NZ 2.93Å; E165-K168 PolarHBondContact OE1-NZ 2.99Å; E165-K168 WeakPolarHBondContact OE2-CE 3.22Å; E165-K168 IonicContact OE2-NZ 3.02Å; E165-K168 PolarHBondContact OE2-NZ 3.13Å; E166-K168 PolarHBondContact O-N 2.86Å; K168-Y171 PolarHBondContact O-N 3.37Å; K168-I172 WeakPolarHBondContact O-CG1 3.45Å; K168-I172 PolarHBondContact O-N 3.2Å; K168-I172 VanDerWaalsContact O-N 3.09Å; K168-W192 HydrophobicContact CD-CZ2 4.16Å; K168-M200 HydrophobicContact CD-SD 4.47Å
169	A	93.9	Very high	92.5	Very high	59 Å²	59	48.7 Å²	48.7	49%	0.488	27%	0.265	S	S	.	.	H	α-helix	trans	-64.3	-45.5	177.1	0	0	0	0	0	112.1	E165 E166 G167 Y171 I172 Q173	E165-A169 PolarHBondContact O-N 2.87Å; E166-A169 PolarHBondContact O-N 3.2Å; G167-A169 PolarHBondContact O-N 3.44Å; A169-Y171 PolarHBondContact O-N 3.4Å; A169-I172 PolarHBondContact O-N 3.2Å; A169-Q173 PolarHBondContact O-N 3.38Å
170	C	95.7	Very high	92.7	Very high	33 Å²	33	51.4 Å²	51.4	22%	0.223	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-43.1	174.9	-73.4	0	0	0	0	111.7	L136 E166 G167 I172 Q173 S174	L136-C170 HydrophobicContact CB-CB 4.27Å; L136-C170 HydrophobicContact CD2-CB 4.2Å; E166-C170 WeakPolarHBondContact O-CB 3.43Å; E166-C170 PolarHBondContact O-N 3.42Å; E166-C170 PolarHBondContact O-SG 3.34Å; E166-C170 VanDerWaalsContact O-SG 3.37Å; G167-C170 PolarHBondContact O-N 3Å; C170-I172 PolarHBondContact O-N 3.34Å; C170-Q173 PolarHBondContact O-N 2.73Å; C170-S174 WeakPolarHBondContact O-CB 3.38Å; C170-S174 PolarHBondContact O-N 3.05Å; C170-S174 PolarHBondContact O-OG 3.29Å
171	Y	97.2	Very high	92.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.2	-50	176.2	179.2	-82	0	0	0	111.6	I84 F135 D150 F154 I157 G167 K168 A169 Q173 S174 L175 F185 F201	I84-Y171 HydrophobicContact CG2-CE2 4.12Å; F135-Y171 AromaticContact CD1-CD2 3.51Å; F135-Y171 HydrophobicContact CD1-CD2 3.51Å; F135-Y171 AromaticContact CD1-CE2 3.71Å; F135-Y171 HydrophobicContact CD1-CE2 3.71Å; F135-Y171 HydrophobicContact CD1-CG 4.27Å; F135-Y171 AromaticContact CE1-CD2 3.64Å; F135-Y171 HydrophobicContact CE1-CD2 3.64Å; F135-Y171 HydrophobicContact CE1-CE1 4.48Å; F135-Y171 AromaticContact CE1-CE2 3.63Å; F135-Y171 HydrophobicContact CE1-CE2 3.63Å; F135-Y171 HydrophobicContact CE1-CG 4.11Å; D150-Y171 VanDerWaalsContact CB-OH 3.25Å; D150-Y171 WeakPolarHBondContact CB-OH 3.26Å; D150-Y171 VanDerWaalsContact CG-OH 3.29Å; D150-Y171 WeakPolarHBondContact OD2-CE2 3.32Å; D150-Y171 VanDerWaalsContact OD2-CZ 3.27Å; D150-Y171 PolarHBondContact OD2-OH 3.49Å; F154-Y171 HydrophobicContact CB-CE2 4.36Å; F154-Y171 AromaticContact CD2-CD1 3.49Å; F154-Y171 HydrophobicContact CD2-CD1 3.49Å; F154-Y171 VanDerWaalsContact CD2-CD1 3.49Å; F154-Y171 HydrophobicContact CD2-CD2 4.11Å; F154-Y171 AromaticContact CD2-CE1 3.74Å; F154-Y171 HydrophobicContact CD2-CE1 3.74Å; F154-Y171 HydrophobicContact CD2-CE2 4.28Å; F154-Y171 AromaticContact CD2-CG 3.71Å; F154-Y171 HydrophobicContact CD2-CG 3.71Å; F154-Y171 AromaticContact CE2-CD1 3.83Å; F154-Y171 HydrophobicContact CE2-CD1 3.83Å; F154-Y171 HydrophobicContact CE2-CE1 4.39Å; F154-Y171 HydrophobicContact CE2-CG 4.15Å; F154-Y171 HydrophobicContact CG-CE1 4.45Å; I157-Y171 HydrophobicContact CD1-CD2 3.44Å; I157-Y171 VanDerWaalsContact CD1-CD2 3.44Å; I157-Y171 HydrophobicContact CD1-CE2 4.11Å; I157-Y171 HydrophobicContact CD1-CG 4.26Å; G167-Y171 WeakPolarHBondContact O-CB 3.48Å; G167-Y171 PolarHBondContact O-N 2.85Å; K168-Y171 PolarHBondContact O-N 3.37Å; A169-Y171 PolarHBondContact O-N 3.4Å; Y171-Q173 VanDerWaalsContact C-N 3.28Å; Y171-Q173 PolarHBondContact O-N 3.27Å; Y171-S174 PolarHBondContact O-N 3.17Å; Y171-L175 HydrophobicContact CE1-CB 4.43Å; Y171-L175 HydrophobicContact CE1-CD2 4.11Å; Y171-L175 VanDerWaalsContact O-CB 3.31Å; Y171-L175 WeakPolarHBondContact O-CB 3.32Å; Y171-L175 PolarHBondContact O-N 2.83Å; Y171-F185 HydrophobicContact CE1-CZ 4.1Å; Y171-F185 WeakPolarHBondContact OH-CE2 3.15Å; Y171-F185 WeakPolarHBondContact OH-CZ 3.49Å; Y171-F201 HydrophobicContact CD1-CE1 4.29Å; Y171-F201 HydrophobicContact CD1-CZ 4.4Å; Y171-F201 HydrophobicContact CE1-CE1 4.02Å; Y171-F201 HydrophobicContact CE1-CZ 4.04Å
172	I	95.9	Very high	93.5	Very high	33 Å²	33	55.6 Å²	55.6	17%	0.169	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-40.3	179.6	-66.9	167.2	0	0	0	110.3	K168 A169 C170 R176 F201 F205	K168-I172 WeakPolarHBondContact O-CG1 3.45Å; K168-I172 PolarHBondContact O-N 3.2Å; K168-I172 VanDerWaalsContact O-N 3.09Å; A169-I172 PolarHBondContact O-N 3.2Å; C170-I172 PolarHBondContact O-N 3.34Å; I172-R176 WeakPolarHBondContact O-CG 3.41Å; I172-R176 PolarHBondContact O-N 2.86Å; I172-F201 HydrophobicContact CG1-CD1 4.13Å; I172-F201 HydrophobicContact CG1-CE1 3.82Å; I172-F205 HydrophobicContact CG2-CE2 4.49Å
173	Q	95.2	Very high	94.3	Very high	126 Å²	126	48.2 Å²	48.2	59%	0.589	26%	0.255	S	S	*	.	H	α-helix	trans	-64.3	-46.2	176.7	-176.8	176.1	-8.2	0	0	112.3	A169 C170 Y171 R176 G177	A169-Q173 PolarHBondContact O-N 3.38Å; C170-Q173 PolarHBondContact O-N 2.73Å; Y171-Q173 VanDerWaalsContact C-N 3.28Å; Y171-Q173 PolarHBondContact O-N 3.27Å; Q173-R176 PolarHBondContact O-N 2.84Å; Q173-G177 PolarHBondContact O-N 3.14Å
174	S	97.1	Very high	95.2	Very high	8 Å²	8	45.5 Å²	45.5	6%	0.056	24%	0.24	C	C	.	.	H	α-helix	trans	-64.2	-41.8	177.3	-67.6	0	0	0	0	112	F135 C170 Y171 R176 G177 A178	F135-S174 WeakPolarHBondContact O-CB 3.5Å; F135-S174 PolarHBondContact O-OG 3.44Å; C170-S174 WeakPolarHBondContact O-CB 3.38Å; C170-S174 PolarHBondContact O-N 3.05Å; C170-S174 PolarHBondContact O-OG 3.29Å; Y171-S174 PolarHBondContact O-N 3.17Å; S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 3.04Å; S174-G177 CarbonylContact O-C 3.55Å; S174-G177 WeakPolarHBondContact O-CA 3.48Å; S174-G177 PolarHBondContact O-N 2.99Å; S174-A178 WeakPolarHBondContact O-CB 3.36Å; S174-A178 PolarHBondContact O-N 3.35Å
175	L	97.7	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-43.2	175	-179.7	66.5	0	0	0	111.8	I84 F135 C148 Y171 G177 A178 L179 F185 F201 F205	I84-L175 HydrophobicContact CD1-CD1 3.92Å; F135-L175 HydrophobicContact CE1-CB 4.32Å; F135-L175 HydrophobicContact CZ-CB 4.14Å; C148-L175 HydrophobicContact CB-CD1 3.73Å; Y171-L175 HydrophobicContact CE1-CB 4.43Å; Y171-L175 HydrophobicContact CE1-CD2 4.11Å; Y171-L175 VanDerWaalsContact O-CB 3.31Å; Y171-L175 WeakPolarHBondContact O-CB 3.32Å; Y171-L175 PolarHBondContact O-N 2.83Å; L175-G177 VanDerWaalsContact C-N 3.3Å; L175-G177 PolarHBondContact O-N 3.32Å; L175-A178 PolarHBondContact O-N 3.16Å; L175-L179 HydrophobicContact CD1-CD1 3.66Å; L175-L179 HydrophobicContact CD1-CG 4.25Å; L175-L179 HydrophobicContact CG-CD1 3.98Å; L175-L179 PolarHBondContact O-N 2.97Å; L175-L179 VanDerWaalsContact O-N 3.08Å; L175-F185 HydrophobicContact CD1-CD2 3.7Å; L175-F185 HydrophobicContact CD1-CE2 4.01Å; L175-F185 HydrophobicContact CD1-CG 4.15Å; L175-F185 HydrophobicContact CD2-CB 4.36Å; L175-F185 HydrophobicContact CD2-CD1 3.58Å; L175-F185 HydrophobicContact CD2-CD2 3.85Å; L175-F185 HydrophobicContact CD2-CE1 3.64Å; L175-F185 HydrophobicContact CD2-CE2 3.91Å; L175-F185 HydrophobicContact CD2-CG 3.67Å; L175-F185 HydrophobicContact CD2-CZ 3.78Å; L175-F185 HydrophobicContact CG-CD2 4.41Å; L175-F185 HydrophobicContact CG-CG 4.46Å; L175-F201 HydrophobicContact CD2-CD1 4.28Å; L175-F201 HydrophobicContact CD2-CE1 3.9Å; L175-F205 HydrophobicContact CB-CZ 4.45Å; L175-F205 HydrophobicContact CD2-CE1 4.03Å; L175-F205 HydrophobicContact CD2-CE2 4.12Å; L175-F205 HydrophobicContact CD2-CZ 3.6Å; L175-F205 HydrophobicContact CG-CE1 4.22Å; L175-F205 HydrophobicContact CG-CZ 3.72Å
176	R	95.8	Very high	96.4	Very high	83 Å²	83	40.4 Å²	40.4	31%	0.313	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-36.4	172.4	-72.9	-177.7	68.7	163.7	4.6	111.9	I172 Q173 S174 Q203 F205 R233 H235	I172-R176 WeakPolarHBondContact O-CG 3.41Å; I172-R176 PolarHBondContact O-N 2.86Å; Q173-R176 PolarHBondContact O-N 2.84Å; S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 3.04Å; R176-Q203 PolarHBondContact NH1-O 2.93Å; R176-F205 HydrophobicContact CG-CE2 3.59Å; R176-F205 HydrophobicContact CG-CZ 3.73Å; R176-R233 PolarHBondContact O-NE 3.35Å; R176-R233 PolarHBondContact O-NH1 2.9Å; R176-H235 PolarHBondContact NH2-O 3.3Å; R176-H235 VanDerWaalsContact NH2-O 3.09Å
177	G	95.5	Very high	96.7	Very high	44 Å²	44	34.3 Å²	34.3	45%	0.454	19%	0.186	S	C	.	.	H	α-helix	trans	-67.5	-39.2	175.6	0	0	0	0	0	113.5	L142 Q173 S174 L175	L142-G177 CarbonylContact O-C 3.55Å; Q173-G177 PolarHBondContact O-N 3.14Å; S174-G177 CarbonylContact O-C 3.55Å; S174-G177 WeakPolarHBondContact O-CA 3.48Å; S174-G177 PolarHBondContact O-N 2.99Å; L175-G177 VanDerWaalsContact C-N 3.3Å; L175-G177 PolarHBondContact O-N 3.32Å
178	A	97.6	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-75.2	-42.9	-175	0	0	0	0	0	113.5	L82 F135 L142 S143 D144 F145 S174 L175	L82-A178 HydrophobicContact CD2-CB 4.1Å; F135-A178 HydrophobicContact CE2-CB 4.47Å; L142-A178 HydrophobicContact CB-CB 4.03Å; L142-A178 WeakPolarHBondContact O-CA 3.25Å; S143-A178 CarbonylContact C-O 3.56Å; S143-A178 VanDerWaalsContact C-O 3.3Å; D144-A178 PolarHBondContact N-O 3.44Å; D144-A178 VanDerWaalsContact N-O 3.17Å; F145-A178 HydrophobicContact CD2-CB 4.31Å; F145-A178 WeakPolarHBondContact CD2-O 3.48Å; F145-A178 PolarHBondContact N-O 3.5Å; S174-A178 WeakPolarHBondContact O-CB 3.36Å; S174-A178 PolarHBondContact O-N 3.35Å; L175-A178 PolarHBondContact O-N 3.16Å
179	L	97.9	Very high	96.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	147.5	-178	-80.3	167.4	0	0	0	112.5	F145 C148 L175 L184 F185 F205 R233	F145-L179 CarbonylContact O-C 3.5Å; C148-L179 HydrophobicContact CB-CD1 4.15Å; C148-L179 HydrophobicContact CB-CD2 3.78Å; C148-L179 HydrophobicContact CB-CG 3.93Å; C148-L179 WeakPolarHBondContact SG-CD2 3.25Å; C148-L179 VanDerWaalsContact SG-CG 3.52Å; L175-L179 HydrophobicContact CD1-CD1 3.66Å; L175-L179 HydrophobicContact CD1-CG 4.25Å; L175-L179 HydrophobicContact CG-CD1 3.98Å; L175-L179 PolarHBondContact O-N 2.97Å; L175-L179 VanDerWaalsContact O-N 3.08Å; L179-L184 WeakPolarHBondContact CD2-O 3.26Å; L179-F185 HydrophobicContact CD1-CB 3.83Å; L179-F205 HydrophobicContact CD1-CE1 3.75Å; L179-F205 HydrophobicContact CD1-CZ 4.39Å; L179-R233 HydrophobicContact CB-CB 4.32Å; L179-R233 HydrophobicContact CD1-CB 4.41Å; L179-R233 PolarHBondContact O-NH1 2.99Å
180	K	97.6	Very high	96.8	Very high	74 Å²	74	33.7 Å²	33.7	32%	0.322	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	160.7	163	-69.1	177.4	-174.1	150.9	0	111.2	D144 F145 D146 E182 G183 R233	D144-K180 HydrophobicContact CB-CG 4.48Å; D144-K180 WeakPolarHBondContact O-CE 3.33Å; D144-K180 PolarHBondContact O-NZ 2.95Å; F145-K180 PolarHBondContact O-N 3.18Å; D146-K180 WeakPolarHBondContact OD1-CD 3.36Å; D146-K180 IonicContact OD1-NZ 2.75Å; D146-K180 PolarHBondContact OD1-NZ 3.02Å; D146-K180 IonicContact OD2-NZ 3.26Å; D146-K180 PolarHBondContact OD2-NZ 2.98Å; K180-E182 PolarHBondContact O-N 3.47Å; K180-G183 PolarHBondContact O-N 3.45Å; K180-R233 WeakPolarHBondContact O-CD 2.85Å
181	E	95.8	Very high	96.5	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.9	161	-69.6	-171.4	-156.6	0	0	109.5	G183 H235	E181-G183 PolarHBondContact O-N 2.72Å; E181-G183 VanDerWaalsContact O-N 3.09Å; E181-H235 IonicContact OE2-CE1 2.96Å; E181-H235 IonicContact OE2-ND1 2.73Å; E181-H235 PolarHBondContact OE2-ND1 3.49Å
182	E	96.8	Very high	96.3	Very high	93 Å²	93	34 Å²	34	44%	0.435	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.3	5.4	-173	-52.8	-68.1	115.9	0	0	115	K180 K232 R233	K180-E182 PolarHBondContact O-N 3.47Å; E182-K232 HydrophobicContact CB-CD 4.37Å; E182-K232 WeakPolarHBondContact O-CG 3.43Å; E182-K232 IonicContact OE1-NZ 2.93Å; E182-K232 WeakPolarHBondContact OE2-CD 3.5Å; E182-K232 VanDerWaalsContact OE2-CE 3.26Å; E182-K232 WeakPolarHBondContact OE2-CE 3.17Å; E182-K232 IonicContact OE2-NZ 3.71Å; E182-K232 PolarHBondContact OE2-NZ 3.18Å; E182-R233 WeakPolarHBondContact CA-O 3.16Å; E182-R233 PolarHBondContact N-O 2.83Å; E182-R233 VanDerWaalsContact N-O 3.07Å
183	G	98.4	Very high	96.1	Very high	5 Å²	5	35.4 Å²	35.4	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	156.1	174.3	0	0	0	0	0	112.5	D146 K180 E181 K232 R233	D146-G183 CarbonylContact O-C 3.55Å; D146-G183 WeakPolarHBondContact O-CA 3.38Å; K180-G183 PolarHBondContact O-N 3.45Å; E181-G183 PolarHBondContact O-N 2.72Å; E181-G183 VanDerWaalsContact O-N 3.09Å; G183-K232 CarbonylContact O-C 3.57Å; G183-K232 WeakPolarHBondContact O-CA 3.27Å; G183-R233 PolarHBondContact O-N 2.68Å
184	L	98.8	Very high	96.1	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.168	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.3	-172.9	-65.8	163.8	0	0	0	111.5	W69 I75 D146 V147 C148 L179 V208 I230 F231 K232	W69-L184 HydrophobicContact CH2-CD1 3.93Å; W69-L184 HydrophobicContact CH2-CD2 4.41Å; I75-L184 HydrophobicContact CD1-CD1 3.56Å; D146-L184 PolarHBondContact O-N 2.69Å; V147-L184 CarbonylContact C-O 3.54Å; V147-L184 VanDerWaalsContact CA-O 3.28Å; V147-L184 WeakPolarHBondContact CA-O 3.41Å; V147-L184 HydrophobicContact CG1-CB 4.49Å; V147-L184 HydrophobicContact CG2-CB 4.4Å; C148-L184 PolarHBondContact N-O 3.31Å; L179-L184 WeakPolarHBondContact CD2-O 3.26Å; L184-V208 HydrophobicContact CD2-CG2 4.45Å; L184-I230 HydrophobicContact CD2-CG2 4.08Å; L184-F231 CarbonylContact C-O 3.58Å; L184-F231 WeakPolarHBondContact CA-O 3.42Å; L184-K232 HydrophobicContact CD2-CB 4.37Å
185	F	98.8	Very high	95.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.3	171	172.3	-131.9	0	0	0	110	C148 D150 Y171 L175 L179 I187 F201 F205 I230 F231	C148-F185 HydrophobicContact CB-CD2 4.33Å; C148-F185 CarbonylContact O-C 3.58Å; C148-F185 WeakPolarHBondContact O-CA 3.44Å; D150-F185 HydrophobicContact CB-CE2 3.84Å; D150-F185 HydrophobicContact CB-CZ 4.23Å; Y171-F185 HydrophobicContact CE1-CZ 4.1Å; Y171-F185 WeakPolarHBondContact OH-CE2 3.15Å; Y171-F185 WeakPolarHBondContact OH-CZ 3.49Å; L175-F185 HydrophobicContact CD1-CD2 3.7Å; L175-F185 HydrophobicContact CD1-CE2 4.01Å; L175-F185 HydrophobicContact CD1-CG 4.15Å; L175-F185 HydrophobicContact CD2-CB 4.36Å; L175-F185 HydrophobicContact CD2-CD1 3.58Å; L175-F185 HydrophobicContact CD2-CD2 3.85Å; L175-F185 HydrophobicContact CD2-CE1 3.64Å; L175-F185 HydrophobicContact CD2-CE2 3.91Å; L175-F185 HydrophobicContact CD2-CG 3.67Å; L175-F185 HydrophobicContact CD2-CZ 3.78Å; L175-F185 HydrophobicContact CG-CD2 4.41Å; L175-F185 HydrophobicContact CG-CG 4.46Å; L179-F185 HydrophobicContact CD1-CB 3.83Å; F185-I187 HydrophobicContact CE1-CB 3.81Å; F185-I187 HydrophobicContact CE1-CD1 4.26Å; F185-I187 HydrophobicContact CE1-CG2 3.95Å; F185-I187 HydrophobicContact CE2-CB 4.14Å; F185-I187 HydrophobicContact CZ-CB 3.57Å; F185-I187 HydrophobicContact CZ-CD1 3.89Å; F185-I187 HydrophobicContact CZ-CG1 4.17Å; F185-I187 HydrophobicContact CZ-CG2 4.25Å; F185-F201 HydrophobicContact CD1-CD1 4.41Å; F185-F201 HydrophobicContact CD1-CE1 4.37Å; F185-F201 AromaticContact CE1-CD1 3.98Å; F185-F201 HydrophobicContact CE1-CD1 3.98Å; F185-F201 HydrophobicContact CE1-CD2 4.42Å; F185-F201 AromaticContact CE1-CE1 3.57Å; F185-F201 HydrophobicContact CE1-CE1 3.57Å; F185-F201 HydrophobicContact CE1-CE2 4.08Å; F185-F201 HydrophobicContact CE1-CG 4.4Å; F185-F201 AromaticContact CE1-CZ 3.64Å; F185-F201 HydrophobicContact CE1-CZ 3.64Å; F185-F201 HydrophobicContact CZ-CE1 4.19Å; F185-F201 HydrophobicContact CZ-CZ 4.08Å; F185-F205 HydrophobicContact CB-CD1 4.43Å; F185-F205 HydrophobicContact CB-CE1 4.28Å; F185-I230 CarbonylContact O-C 3.56Å; F185-I230 WeakPolarHBondContact O-CA 3.42Å; F185-F231 HydrophobicContact CB-CB 4.12Å; F185-F231 HydrophobicContact CD1-CB 4.17Å; F185-F231 AromaticContact CD1-CD2 3.72Å; F185-F231 HydrophobicContact CD1-CD2 3.72Å; F185-F231 HydrophobicContact CD1-CG 4.29Å; F185-F231 HydrophobicContact CE1-CD2 4.22Å; F185-F231 PolarHBondContact N-O 3.02Å; F185-F231 PolarHBondContact O-N 2.72Å
186	I	98.7	Very high	95.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115	178.7	-48.9	-176.1	0	0	0	107.6	V66 W69 M70 V147 C148 I149 D150 I230	V66-I186 HydrophobicContact CG1-CD1 3.78Å; V66-I186 HydrophobicContact CG1-CG2 3.96Å; V66-I186 HydrophobicContact CG2-CG2 3.76Å; W69-I186 HydrophobicContact CE3-CD1 3.87Å; W69-I186 HydrophobicContact CZ3-CD1 3.49Å; W69-I186 VanDerWaalsContact CZ3-CD1 3.49Å; W69-I186 HydrophobicContact CZ3-CG1 4.05Å; M70-I186 HydrophobicContact CG-CD1 4.04Å; M70-I186 HydrophobicContact SD-CD1 4.02Å; V147-I186 HydrophobicContact CG1-CD1 3.82Å; V147-I186 HydrophobicContact CG1-CG1 4.07Å; C148-I186 PolarHBondContact O-N 2.98Å; I149-I186 CarbonylContact C-O 3.58Å; I149-I186 WeakPolarHBondContact CA-O 3.35Å; I149-I186 HydrophobicContact CD1-CD1 4.36Å; I149-I186 HydrophobicContact CG1-CB 4.27Å; I149-I186 HydrophobicContact CG1-CD1 4.13Å; I149-I186 HydrophobicContact CG1-CG1 4.41Å; I149-I186 HydrophobicContact CG2-CB 4.28Å; I149-I186 HydrophobicContact CG2-CG2 4.42Å; D150-I186 PolarHBondContact N-O 3.09Å; I186-I230 HydrophobicContact CB-CD1 4.02Å; I186-I230 HydrophobicContact CD1-CD1 4.22Å; I186-I230 HydrophobicContact CG1-CD1 3.74Å; I186-I230 HydrophobicContact CG2-CD1 3.63Å
187	I	98.4	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.4	176.4	-176.4	162.4	0	0	0	110.8	D150 F154 F185 L197 F201 A228 I229 F231	D150-I187 HydrophobicContact CB-CG1 4.36Å; D150-I187 CarbonylContact O-C 3.57Å; D150-I187 WeakPolarHBondContact O-CA 3.28Å; F154-I187 HydrophobicContact CB-CD1 3.85Å; F154-I187 HydrophobicContact CD1-CD1 4.09Å; F154-I187 HydrophobicContact CG-CD1 4.13Å; F185-I187 HydrophobicContact CE1-CB 3.81Å; F185-I187 HydrophobicContact CE1-CD1 4.26Å; F185-I187 HydrophobicContact CE1-CG2 3.95Å; F185-I187 HydrophobicContact CE2-CB 4.14Å; F185-I187 HydrophobicContact CZ-CB 3.57Å; F185-I187 HydrophobicContact CZ-CD1 3.89Å; F185-I187 HydrophobicContact CZ-CG1 4.17Å; F185-I187 HydrophobicContact CZ-CG2 4.25Å; I187-L197 HydrophobicContact CD1-CD2 3.91Å; I187-L197 HydrophobicContact CG2-CD1 4.33Å; I187-F201 HydrophobicContact CD1-CE2 4.14Å; I187-F201 HydrophobicContact CD1-CZ 4.25Å; I187-A228 CarbonylContact O-C 3.57Å; I187-A228 VanDerWaalsContact O-CA 3.26Å; I187-A228 WeakPolarHBondContact O-CA 3.46Å; I187-I229 HydrophobicContact CG2-CB 4.14Å; I187-I229 PolarHBondContact N-O 3.38Å; I187-I229 PolarHBondContact O-N 3.36Å; I187-F231 HydrophobicContact CG2-CD2 4.13Å; I187-F231 HydrophobicContact CG2-CE2 3.81Å
188	T	97.1	Very high	95.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.2	163.1	-55.9	0	0	0	0	108.8	F58 S62 D150 G152 V226 T227	F58-T188 HydrophobicContact CD2-CG2 3.71Å; F58-T188 HydrophobicContact CE2-CG2 4.35Å; F58-T188 WeakPolarHBondContact CE2-O 3.34Å; F58-T188 HydrophobicContact CG-CG2 4.47Å; S62-T188 VanDerWaalsContact OG-CG2 3.32Å; S62-T188 WeakPolarHBondContact OG-CG2 3.28Å; D150-T188 PolarHBondContact O-N 2.73Å; G152-T188 PolarHBondContact N-O 2.89Å; T188-V226 HydrophobicContact CG2-CB 4.08Å; T188-V226 HydrophobicContact CG2-CG1 4.43Å; T188-V226 HydrophobicContact CG2-CG2 4.33Å; T188-T227 CarbonylContact C-O 3.52Å; T188-T227 WeakPolarHBondContact CA-O 3.24Å
189	S	95.3	Very high	95.8	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.4	-178.7	143.7	0	0	0	0	112.4	D155 N191 W192 V226 T227	D155-S189 PolarHBondContact OD1-OG 2.81Å; D155-S189 WeakPolarHBondContact OD2-CA 3.18Å; D155-S189 WeakPolarHBondContact OD2-CB 3.35Å; S189-N191 PolarHBondContact OG-N 3.49Å; S189-W192 VanDerWaalsContact OG-CB 3.25Å; S189-W192 WeakPolarHBondContact OG-CB 3.38Å; S189-W192 PolarHBondContact OG-N 2.87Å; S189-V226 CarbonylContact O-C 3.29Å; S189-V226 WeakPolarHBondContact O-CA 3.34Å; S189-T227 PolarHBondContact N-O 2.95Å; S189-T227 PolarHBondContact O-N 3.27Å
190	C	91.4	Very high	95.6	Very high	60 Å²	60	40.9 Å²	40.9	41%	0.405	21%	0.205	S	C	.	.	S	Bend	trans	-101.2	-18.9	172.7	69.9	0	0	0	0	114	F58 D155 V226	F58-C190 HydrophobicContact CD1-CB 4.34Å; F58-C190 HydrophobicContact CE1-CB 3.72Å; F58-C190 WeakPolarHBondContact CE1-SG 3.48Å; F58-C190 HydrophobicContact CZ-CB 4.05Å; D155-C190 PolarHBondContact OD2-N 3.16Å; C190-V226 HydrophobicContact CB-CG1 4.05Å
191	N	90.5	Very high	95.6	Very high	38 Å²	38	37.4 Å²	37.4	20%	0.203	19%	0.19	C	C	.	.	S	Bend	trans	-88.9	-39.8	178.6	-59.5	-46.4	0	0	0	110.9	F25 D155 S189	F25-N191 HydrophobicContact CD1-CB 4.13Å; F25-N191 HydrophobicContact CD2-CB 3.92Å; F25-N191 HydrophobicContact CE1-CB 3.94Å; F25-N191 WeakPolarHBondContact CE1-O 3.4Å; F25-N191 HydrophobicContact CE2-CB 3.72Å; F25-N191 HydrophobicContact CG-CB 4.14Å; F25-N191 VanDerWaalsContact CZ-C 3.44Å; F25-N191 HydrophobicContact CZ-CB 3.77Å; F25-N191 WeakPolarHBondContact CZ-O 3.39Å; D155-N191 WeakPolarHBondContact CB-ND2 3.18Å; D155-N191 WeakPolarHBondContact OD1-CB 3.43Å; D155-N191 PolarHBondContact OD1-N 3.49Å; D155-N191 VanDerWaalsContact OD1-N 3.15Å; D155-N191 PolarHBondContact OD1-ND2 3.49Å; S189-N191 PolarHBondContact OG-N 3.49Å
192	W	92.1	Very high	95.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.008	19%	0.188	C	C	.	.			trans	-91.3	136.1	-171.3	-58.3	102.2	0	0	0	114.5	V21 D23 F25 F154 S158 K168 S189 Q196 L197 M200 T227	V21-W192 HydrophobicContact CG1-CE3 4.5Å; V21-W192 HydrophobicContact CG1-CH2 4.26Å; V21-W192 HydrophobicContact CG1-CZ3 3.6Å; D23-W192 WeakPolarHBondContact OD1-CH2 3.29Å; D23-W192 VanDerWaalsContact OD1-CZ2 3.23Å; D23-W192 WeakPolarHBondContact OD1-CZ2 3.44Å; F25-W192 AromaticContact CE2-CD2 3.98Å; F25-W192 HydrophobicContact CE2-CD2 3.98Å; F25-W192 AromaticContact CE2-CE3 3.93Å; F25-W192 HydrophobicContact CE2-CE3 3.93Å; F25-W192 HydrophobicContact CE2-CH2 4.21Å; F25-W192 HydrophobicContact CE2-CZ2 4.16Å; F25-W192 HydrophobicContact CE2-CZ3 4.05Å; F25-W192 HydrophobicContact CZ-CD2 4.48Å; F25-W192 HydrophobicContact CZ-CE3 4.28Å; F154-W192 AromaticContact CD1-CD1 3.84Å; F154-W192 AromaticContact CD1-NE1 3.68Å; F154-W192 AromaticContact CE1-CD1 3.96Å; F154-W192 HydrophobicContact CE1-CZ2 4.48Å; F154-W192 AromaticContact CE1-NE1 3.54Å; S158-W192 PolarHBondContact OG-NE1 3.25Å; K168-W192 HydrophobicContact CD-CZ2 4.16Å; S189-W192 VanDerWaalsContact OG-CB 3.25Å; S189-W192 WeakPolarHBondContact OG-CB 3.38Å; S189-W192 PolarHBondContact OG-N 2.87Å; W192-Q196 HydrophobicContact CE3-CB 3.66Å; W192-Q196 HydrophobicContact CE3-CG 4.2Å; W192-Q196 HydrophobicContact CZ3-CB 4.12Å; W192-Q196 HydrophobicContact CZ3-CG 4.42Å; W192-L197 HydrophobicContact CB-CD1 4.19Å; W192-L197 HydrophobicContact CB-CD2 3.69Å; W192-L197 HydrophobicContact CB-CG 3.65Å; W192-L197 HydrophobicContact CG-CD2 4.08Å; W192-M200 HydrophobicContact CB-CE 4.28Å; W192-M200 HydrophobicContact CD2-CE 3.35Å; W192-M200 HydrophobicContact CD2-SD 4.32Å; W192-M200 HydrophobicContact CE3-CE 3.41Å; W192-M200 VanDerWaalsContact CE3-CE 3.41Å; W192-M200 HydrophobicContact CE3-SD 4.33Å; W192-M200 HydrophobicContact CG-CE 3.79Å; W192-M200 HydrophobicContact CH2-CE 3.93Å; W192-M200 HydrophobicContact CH2-SD 3.75Å; W192-M200 HydrophobicContact CZ2-CE 3.98Å; W192-M200 HydrophobicContact CZ2-SD 3.84Å; W192-M200 HydrophobicContact CZ3-CE 3.72Å; W192-M200 HydrophobicContact CZ3-SD 4.07Å; W192-T227 WeakPolarHBondContact O-CB 3.28Å; W192-T227 PolarHBondContact O-OG1 3.34Å
193	T	92.2	Very high	95.2	Very high	62 Å²	62	38.3 Å²	38.3	38%	0.38	20%	0.201	S	C	.	.			trans	-74.1	166.5	166.7	80.2	0	0	0	0	110.9	E195 Q196 L197	T193-E195 PolarHBondContact O-N 3.06Å; T193-E195 PolarHBondContact OG1-N 3.03Å; T193-E195 PolarHBondContact OG1-OE2 3.36Å; T193-Q196 PolarHBondContact O-N 3.04Å; T193-Q196 WeakPolarHBondContact OG1-CG 3.5Å; T193-Q196 PolarHBondContact OG1-N 2.93Å; T193-Q196 PolarHBondContact OG1-OE1 3.48Å; T193-L197 WeakPolarHBondContact O-CG 3.34Å; T193-L197 PolarHBondContact O-N 3.37Å
194	K	93.9	Very high	95	Very high	46 Å²	46	38.5 Å²	38.5	20%	0.2	20%	0.204	C	C	.	.	H	α-helix	trans	-56.1	-50.8	174	171.9	-179.7	-169.2	171.6	0	112.3	Q196 L197 L198 E210 T227 I229	K194-Q196 VanDerWaalsContact C-N 3.25Å; K194-Q196 PolarHBondContact O-N 3.19Å; K194-L197 PolarHBondContact O-N 2.97Å; K194-L198 HydrophobicContact CG-CD1 4.02Å; K194-L198 HydrophobicContact CG-CG 4.16Å; K194-L198 VanDerWaalsContact O-CG 3.28Å; K194-L198 WeakPolarHBondContact O-CG 3.43Å; K194-L198 PolarHBondContact O-N 3.19Å; K194-E210 HydrophobicContact CD-CG 4.49Å; K194-E210 VanDerWaalsContact CD-OE2 3.25Å; K194-E210 WeakPolarHBondContact CD-OE2 3.08Å; K194-E210 WeakPolarHBondContact CE-OE2 3.36Å; K194-E210 IonicContact NZ-OE2 2.74Å; K194-E210 PolarHBondContact NZ-OE2 2.75Å; K194-T227 HydrophobicContact CB-CG2 4.12Å; K194-I229 HydrophobicContact CB-CD1 3.89Å; K194-I229 HydrophobicContact CG-CD1 3.7Å
195	E	94.7	Very high	94.9	Very high	127 Å²	127	37.2 Å²	37.2	59%	0.593	20%	0.197	S	C	*	.	H	α-helix	trans	-61	-38.3	-175.4	-64.1	69.1	-149.6	0	0	111.4	T193 L198 Q199	T193-E195 PolarHBondContact O-N 3.06Å; T193-E195 PolarHBondContact OG1-N 3.03Å; T193-E195 PolarHBondContact OG1-OE2 3.36Å; E195-L198 PolarHBondContact O-N 2.73Å; E195-Q199 PolarHBondContact O-N 3.31Å
196	Q	94.6	Very high	94.9	Very high	30 Å²	30	41.3 Å²	41.3	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-45.6	176.5	-68.6	174	-48.5	0	0	111.8	V21 W192 T193 K194 L198 Q199 M200	V21-Q196 HydrophobicContact CG1-CB 3.94Å; V21-Q196 HydrophobicContact CG1-CG 3.76Å; W192-Q196 HydrophobicContact CE3-CB 3.66Å; W192-Q196 HydrophobicContact CE3-CG 4.2Å; W192-Q196 HydrophobicContact CZ3-CB 4.12Å; W192-Q196 HydrophobicContact CZ3-CG 4.42Å; T193-Q196 PolarHBondContact O-N 3.04Å; T193-Q196 WeakPolarHBondContact OG1-CG 3.5Å; T193-Q196 PolarHBondContact OG1-N 2.93Å; T193-Q196 PolarHBondContact OG1-OE1 3.48Å; K194-Q196 VanDerWaalsContact C-N 3.25Å; K194-Q196 PolarHBondContact O-N 3.19Å; Q196-L198 PolarHBondContact O-N 2.99Å; Q196-Q199 PolarHBondContact O-N 2.99Å; Q196-M200 HydrophobicContact CB-CE 4.24Å; Q196-M200 WeakPolarHBondContact O-CE 3.48Å; Q196-M200 WeakPolarHBondContact O-CG 3.45Å; Q196-M200 PolarHBondContact O-N 3Å
197	L	96.4	Very high	94.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.6	-46	174.3	-69.4	171.6	0	0	0	111.4	I187 W192 T193 K194 Q199 M200 F201 T227 I229 F231	I187-L197 HydrophobicContact CD1-CD2 3.91Å; I187-L197 HydrophobicContact CG2-CD1 4.33Å; W192-L197 HydrophobicContact CB-CD1 4.19Å; W192-L197 HydrophobicContact CB-CD2 3.69Å; W192-L197 HydrophobicContact CB-CG 3.65Å; W192-L197 HydrophobicContact CG-CD2 4.08Å; T193-L197 WeakPolarHBondContact O-CG 3.34Å; T193-L197 PolarHBondContact O-N 3.37Å; K194-L197 PolarHBondContact O-N 2.97Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.1Å; L197-M200 HydrophobicContact CD2-CE 3.88Å; L197-M200 HydrophobicContact CG-CE 4.45Å; L197-M200 PolarHBondContact O-N 3.39Å; L197-F201 HydrophobicContact CD2-CD2 4.39Å; L197-F201 HydrophobicContact CD2-CE2 3.88Å; L197-F201 VanDerWaalsContact O-CD2 3.28Å; L197-F201 WeakPolarHBondContact O-CD2 3.43Å; L197-F201 PolarHBondContact O-N 2.72Å; L197-T227 HydrophobicContact CD1-CG2 3.95Å; L197-I229 HydrophobicContact CB-CD1 3.97Å; L197-I229 HydrophobicContact CD1-CD1 3.8Å; L197-I229 HydrophobicContact CD1-CG1 4.45Å; L197-F231 HydrophobicContact CB-CZ 4.25Å
198	L	96.8	Very high	94.9	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.277	26%	0.255	S	S	.	.	H	α-helix	trans	-57.5	-43.1	176.8	-68.5	-174.5	0	0	0	112.1	K194 E195 Q196 S202 F207 F231	K194-L198 HydrophobicContact CG-CD1 4.02Å; K194-L198 HydrophobicContact CG-CG 4.16Å; K194-L198 VanDerWaalsContact O-CG 3.28Å; K194-L198 WeakPolarHBondContact O-CG 3.43Å; K194-L198 PolarHBondContact O-N 3.19Å; E195-L198 PolarHBondContact O-N 2.73Å; Q196-L198 PolarHBondContact O-N 2.99Å; L198-S202 VanDerWaalsContact O-CB 3.32Å; L198-S202 WeakPolarHBondContact O-CB 3Å; L198-S202 PolarHBondContact O-N 3.43Å; L198-S202 VanDerWaalsContact O-N 3.09Å; L198-F207 HydrophobicContact CD2-CB 3.63Å; L198-F207 HydrophobicContact CD2-CD2 3.55Å; L198-F207 HydrophobicContact CD2-CE2 4.47Å; L198-F207 HydrophobicContact CD2-CG 3.82Å; L198-F231 HydrophobicContact CD2-CE1 3.61Å; L198-F231 HydrophobicContact CD2-CZ 3.88Å
199	Q	95.5	Very high	94.9	Very high	95 Å²	95	51.7 Å²	51.7	44%	0.444	27%	0.269	S	S	.	.	H	α-helix	trans	-66.4	-45.2	178	-175.7	173.3	-9.1	0	0	111.8	D19 V21 E195 Q196 L197 S202	D19-Q199 PolarHBondContact O-NE2 3.24Å; V21-Q199 HydrophobicContact CG2-CB 3.85Å; V21-Q199 HydrophobicContact CG2-CG 3.59Å; E195-Q199 PolarHBondContact O-N 3.31Å; Q196-Q199 PolarHBondContact O-N 2.99Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.1Å; Q199-S202 WeakPolarHBondContact O-CB 3.32Å; Q199-S202 PolarHBondContact O-N 2.91Å; Q199-S202 PolarHBondContact O-OG 3.39Å
200	M	94.9	Very high	95	Very high	28 Å²	28	54.3 Å²	54.3	14%	0.138	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-44.6	-178.9	-74.2	-174.9	-75.9	0	0	112.7	V21 F154 K168 W192 Q196 L197	V21-M200 HydrophobicContact CB-CG 4.27Å; V21-M200 HydrophobicContact CG2-CG 3.97Å; F154-M200 HydrophobicContact CE1-CE 3.88Å; F154-M200 HydrophobicContact CE1-SD 3.81Å; F154-M200 HydrophobicContact CZ-CE 4.45Å; F154-M200 HydrophobicContact CZ-SD 3.82Å; K168-M200 HydrophobicContact CD-SD 4.47Å; W192-M200 HydrophobicContact CB-CE 4.28Å; W192-M200 HydrophobicContact CD2-CE 3.35Å; W192-M200 HydrophobicContact CD2-SD 4.32Å; W192-M200 HydrophobicContact CE3-CE 3.41Å; W192-M200 VanDerWaalsContact CE3-CE 3.41Å; W192-M200 HydrophobicContact CE3-SD 4.33Å; W192-M200 HydrophobicContact CG-CE 3.79Å; W192-M200 HydrophobicContact CH2-CE 3.93Å; W192-M200 HydrophobicContact CH2-SD 3.75Å; W192-M200 HydrophobicContact CZ2-CE 3.98Å; W192-M200 HydrophobicContact CZ2-SD 3.84Å; W192-M200 HydrophobicContact CZ3-CE 3.72Å; W192-M200 HydrophobicContact CZ3-SD 4.07Å; Q196-M200 HydrophobicContact CB-CE 4.24Å; Q196-M200 WeakPolarHBondContact O-CE 3.48Å; Q196-M200 WeakPolarHBondContact O-CG 3.45Å; Q196-M200 PolarHBondContact O-N 3Å; L197-M200 HydrophobicContact CD2-CE 3.88Å; L197-M200 HydrophobicContact CG-CE 4.45Å; L197-M200 PolarHBondContact O-N 3.39Å
201	F	96.5	Very high	95.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-88.5	-3.1	-176.9	-67.4	-79.1	0	0	0	113.7	F154 Y171 I172 L175 F185 I187 L197 Q203 F205 F231	F154-F201 HydrophobicContact CD2-CZ 4.27Å; F154-F201 HydrophobicContact CE1-CE2 4.37Å; F154-F201 HydrophobicContact CE1-CZ 4.43Å; F154-F201 HydrophobicContact CE2-CZ 4.12Å; F154-F201 HydrophobicContact CG-CZ 4.48Å; F154-F201 HydrophobicContact CZ-CE2 4.43Å; F154-F201 HydrophobicContact CZ-CZ 4.2Å; Y171-F201 HydrophobicContact CD1-CE1 4.29Å; Y171-F201 HydrophobicContact CD1-CZ 4.4Å; Y171-F201 HydrophobicContact CE1-CE1 4.02Å; Y171-F201 HydrophobicContact CE1-CZ 4.04Å; I172-F201 HydrophobicContact CG1-CD1 4.13Å; I172-F201 HydrophobicContact CG1-CE1 3.82Å; L175-F201 HydrophobicContact CD2-CD1 4.28Å; L175-F201 HydrophobicContact CD2-CE1 3.9Å; F185-F201 HydrophobicContact CD1-CD1 4.41Å; F185-F201 HydrophobicContact CD1-CE1 4.37Å; F185-F201 AromaticContact CE1-CD1 3.98Å; F185-F201 HydrophobicContact CE1-CD1 3.98Å; F185-F201 HydrophobicContact CE1-CD2 4.42Å; F185-F201 AromaticContact CE1-CE1 3.57Å; F185-F201 HydrophobicContact CE1-CE1 3.57Å; F185-F201 HydrophobicContact CE1-CE2 4.08Å; F185-F201 HydrophobicContact CE1-CG 4.4Å; F185-F201 AromaticContact CE1-CZ 3.64Å; F185-F201 HydrophobicContact CE1-CZ 3.64Å; F185-F201 HydrophobicContact CZ-CE1 4.19Å; F185-F201 HydrophobicContact CZ-CZ 4.08Å; I187-F201 HydrophobicContact CD1-CE2 4.14Å; I187-F201 HydrophobicContact CD1-CZ 4.25Å; L197-F201 HydrophobicContact CD2-CD2 4.39Å; L197-F201 HydrophobicContact CD2-CE2 3.88Å; L197-F201 VanDerWaalsContact O-CD2 3.28Å; L197-F201 WeakPolarHBondContact O-CD2 3.43Å; L197-F201 PolarHBondContact O-N 2.72Å; F201-Q203 PolarHBondContact O-N 3.12Å; F201-F205 HydrophobicContact CB-CB 4.23Å; F201-F205 HydrophobicContact CB-CD2 4.27Å; F201-F205 HydrophobicContact CB-CG 4.49Å; F201-F205 HydrophobicContact CD1-CD2 4.21Å; F201-F205 HydrophobicContact CD1-CE2 4.43Å; F201-F205 WeakPolarHBondContact O-CB 3.26Å; F201-F205 PolarHBondContact O-N 2.81Å; F201-F231 HydrophobicContact CB-CD1 4.25Å; F201-F231 HydrophobicContact CB-CE1 3.9Å; F201-F231 HydrophobicContact CB-CE2 4.42Å; F201-F231 HydrophobicContact CB-CZ 3.99Å; F201-F231 HydrophobicContact CD2-CE2 4.08Å; F201-F231 HydrophobicContact CD2-CZ 4.11Å; F201-F231 HydrophobicContact CG-CE2 4.4Å; F201-F231 HydrophobicContact CG-CZ 4.36Å
202	S	93.6	Very high	95.1	Very high	69 Å²	69	55.1 Å²	55.1	48%	0.483	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.8	-177.3	62.4	0	0	0	0	115	L198 Q199 G204	L198-S202 VanDerWaalsContact O-CB 3.32Å; L198-S202 WeakPolarHBondContact O-CB 3Å; L198-S202 PolarHBondContact O-N 3.43Å; L198-S202 VanDerWaalsContact O-N 3.09Å; Q199-S202 WeakPolarHBondContact O-CB 3.32Å; Q199-S202 PolarHBondContact O-N 2.91Å; Q199-S202 PolarHBondContact O-OG 3.39Å; S202-G204 PolarHBondContact O-N 3.12Å
203	Q	90.4	Very high	94.8	Very high	155 Å²	155	55.8 Å²	55.8	72%	0.724	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	77.9	177.1	-64.6	-169.6	23.7	0	0	111.5	R176 F201	R176-Q203 PolarHBondContact NH1-O 2.93Å; F201-Q203 PolarHBondContact O-N 3.12Å
204	G	93.9	Very high	94	Very high	10 Å²	10	55 Å²	55	10%	0.103	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	118	3.8	174.2	0	0	0	0	0	114.4	S202 L234	S202-G204 PolarHBondContact O-N 3.12Å; G204-L234 WeakPolarHBondContact O-CB 3.31Å; G204-L234 PolarHBondContact O-N 3.13Å
205	F	98	Very high	92.9	Very high	4 Å²	4	61.6 Å²	61.6	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.1	175.9	-61.5	-92.5	0	0	0	111.9	I172 L175 R176 L179 F185 F201 F231 K232 R233	I172-F205 HydrophobicContact CG2-CE2 4.49Å; L175-F205 HydrophobicContact CB-CZ 4.45Å; L175-F205 HydrophobicContact CD2-CE1 4.03Å; L175-F205 HydrophobicContact CD2-CE2 4.12Å; L175-F205 HydrophobicContact CD2-CZ 3.6Å; L175-F205 HydrophobicContact CG-CE1 4.22Å; L175-F205 HydrophobicContact CG-CZ 3.72Å; R176-F205 HydrophobicContact CG-CE2 3.59Å; R176-F205 HydrophobicContact CG-CZ 3.73Å; L179-F205 HydrophobicContact CD1-CE1 3.75Å; L179-F205 HydrophobicContact CD1-CZ 4.39Å; F185-F205 HydrophobicContact CB-CD1 4.43Å; F185-F205 HydrophobicContact CB-CE1 4.28Å; F201-F205 HydrophobicContact CB-CB 4.23Å; F201-F205 HydrophobicContact CB-CD2 4.27Å; F201-F205 HydrophobicContact CB-CG 4.49Å; F201-F205 HydrophobicContact CD1-CD2 4.21Å; F201-F205 HydrophobicContact CD1-CE2 4.43Å; F201-F205 WeakPolarHBondContact O-CB 3.26Å; F201-F205 PolarHBondContact O-N 2.81Å; F205-F231 HydrophobicContact CB-CB 4.04Å; F205-F231 HydrophobicContact CB-CD1 4Å; F205-F231 HydrophobicContact CB-CG 4.3Å; F205-F231 HydrophobicContact CD1-CB 4.19Å; F205-F231 HydrophobicContact CG-CB 4.47Å; F205-K232 CarbonylContact C-O 3.59Å; F205-K232 VanDerWaalsContact CA-O 3.28Å; F205-K232 WeakPolarHBondContact CA-O 2.92Å; F205-R233 HydrophobicContact CD1-CB 4.03Å; F205-R233 HydrophobicContact CE1-CB 3.73Å; F205-R233 HydrophobicContact CE1-CG 4.17Å
206	D	97.9	Very high	91.6	Very high	86 Å²	86	61.8 Å²	61.8	46%	0.46	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.6	170.4	-90.4	-13.8	0	0	0	110.6	F231 K232 L234	D206-F231 CarbonylContact O-C 3.56Å; D206-F231 VanDerWaalsContact O-CA 3.23Å; D206-F231 WeakPolarHBondContact O-CA 3.22Å; D206-K232 PolarHBondContact N-O 3.01Å; D206-K232 PolarHBondContact O-N 3.33Å; D206-L234 HydrophobicContact CB-CD2 4.14Å; D206-L234 HydrophobicContact CB-CG 4.46Å; D206-L234 WeakPolarHBondContact OD2-CD2 3.39Å
207	F	98.2	Very high	89.5	Confident	88 Å²	88	67.4 Å²	67.4	39%	0.386	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	132.1	171.6	171.7	-104.9	0	0	0	111.1	L198 K209 E210 I229	L198-F207 HydrophobicContact CD2-CB 3.63Å; L198-F207 HydrophobicContact CD2-CD2 3.55Å; L198-F207 HydrophobicContact CD2-CE2 4.47Å; L198-F207 HydrophobicContact CD2-CG 3.82Å; F207-K209 WeakPolarHBondContact CE2-O 3.31Å; F207-K209 VanDerWaalsContact CZ-C 3.41Å; F207-E210 HydrophobicContact CE2-CB 4.21Å; F207-E210 HydrophobicContact CZ-CB 4.18Å; F207-I229 HydrophobicContact CD2-CG2 3.73Å; F207-I229 HydrophobicContact CE2-CG2 3.89Å
208	V	97.9	Very high	87.2	Confident	62 Å²	62	76.4 Å²	76.4	38%	0.376	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-58.4	174.4	178.5	0	0	0	0	110.4	L184 I230 K232	L184-V208 HydrophobicContact CD2-CG2 4.45Å; V208-I230 HydrophobicContact CB-CB 4.04Å; V208-I230 HydrophobicContact CB-CG2 3.88Å; V208-I230 HydrophobicContact CG1-CB 4.48Å; V208-I230 HydrophobicContact CG1-CG2 4.18Å; V208-I230 HydrophobicContact CG2-CG2 4.31Å; V208-I230 PolarHBondContact N-O 3.43Å; V208-K232 HydrophobicContact CG2-CB 3.67Å
209	K	97.6	Very high	85.7	Confident	69 Å²	69	77.8 Å²	77.8	30%	0.3	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	150.7	-171.1	-166.1	168.4	178.4	177.7	0	111.5	E73 F207 L211 I229 I230	E73-K209 IonicContact OE1-NZ 3.95Å; F207-K209 WeakPolarHBondContact CE2-O 3.31Å; F207-K209 VanDerWaalsContact CZ-C 3.41Å; K209-L211 HydrophobicContact CD-CD2 4.38Å; K209-L211 HydrophobicContact CG-CD2 4.39Å; K209-I229 WeakPolarHBondContact O-CA 3.23Å; K209-I230 HydrophobicContact CB-CB 4.35Å; K209-I230 HydrophobicContact CB-CG1 4.21Å; K209-I230 PolarHBondContact N-O 3.46Å; K209-I230 PolarHBondContact O-N 3.27Å
210	E	96.9	Very high	84	Confident	57 Å²	57	76.3 Å²	76.3	27%	0.266	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	126.4	165.8	178.9	-173.2	-175.4	0	0	107	K194 F207 A228	K194-E210 HydrophobicContact CD-CG 4.49Å; K194-E210 VanDerWaalsContact CD-OE2 3.25Å; K194-E210 WeakPolarHBondContact CD-OE2 3.08Å; K194-E210 WeakPolarHBondContact CE-OE2 3.36Å; K194-E210 IonicContact NZ-OE2 2.74Å; K194-E210 PolarHBondContact NZ-OE2 2.75Å; F207-E210 HydrophobicContact CE2-CB 4.21Å; F207-E210 HydrophobicContact CZ-CB 4.18Å; E210-A228 CarbonylContact C-O 3.59Å; E210-A228 WeakPolarHBondContact CA-O 3.25Å
211	L	95.2	Very high	81.4	Confident	4 Å²	4	83.3 Å²	83.3	2%	0.021	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	139.3	178.7	-51.9	-173.7	0	0	0	109.9	R65 V66 W69 K209 T213 A228 I230	R65-L211 VanDerWaalsContact CD-CB 3.42Å; R65-L211 HydrophobicContact CG-CB 3.81Å; R65-L211 HydrophobicContact CG-CD1 4Å; V66-L211 HydrophobicContact CG2-CD1 4.29Å; W69-L211 HydrophobicContact CB-CD1 4.1Å; W69-L211 HydrophobicContact CB-CD2 3.82Å; W69-L211 HydrophobicContact CD2-CD2 4.2Å; W69-L211 HydrophobicContact CG-CD1 4.4Å; W69-L211 HydrophobicContact CG-CD2 3.52Å; K209-L211 HydrophobicContact CD-CD2 4.38Å; K209-L211 HydrophobicContact CG-CD2 4.39Å; L211-T213 PolarHBondContact O-N 3.5Å; L211-A228 HydrophobicContact CB-CB 3.97Å; L211-A228 HydrophobicContact CD1-CB 4.47Å; L211-A228 HydrophobicContact CG-CB 4.41Å; L211-A228 PolarHBondContact N-O 3.46Å; L211-I230 HydrophobicContact CD1-CD1 4.11Å; L211-I230 HydrophobicContact CD2-CD1 4.26Å; L211-I230 HydrophobicContact CD2-CG1 4.01Å; L211-I230 HydrophobicContact CG-CD1 4.18Å; L211-I230 HydrophobicContact CG-CG1 4.28Å
212	P	89.6	Confident	79.2	Confident	111 Å²	111	87.2 Å²	87.2	72%	0.721	47%	0.467	S	S	*	.			trans	-65.8	119.2	-176.9	-19.5	31.1	0	0	0	112.6	R65	R65-P212 VanDerWaalsContact CD-O 3.22Å; R65-P212 WeakPolarHBondContact CD-O 3.35Å; R65-P212 PolarHBondContact NE-O 2.79Å
213	T	85.5	Confident	77.6	Confident	16 Å²	16	85.7 Å²	85.7	10%	0.098	46%	0.463	C	S	.	.			trans	-108.6	158.7	178.2	59.9	0	0	0	0	112.2	L211 R215 N224 V226 A228	L211-T213 PolarHBondContact O-N 3.5Å; T213-R215 PolarHBondContact O-N 3.25Å; T213-N224 WeakPolarHBondContact OG1-CB 3.3Å; T213-N224 PolarHBondContact OG1-ND2 3Å; T213-V226 VanDerWaalsContact CB-O 3.26Å; T213-V226 WeakPolarHBondContact CB-O 3.24Å; T213-V226 HydrophobicContact CG2-CG2 3.89Å; T213-V226 WeakPolarHBondContact CG2-O 3.48Å; T213-V226 PolarHBondContact OG1-O 2.74Å; T213-A228 HydrophobicContact CG2-CB 4.04Å
214	P	75.3	Confident	76.2	Confident	46 Å²	46	81.2 Å²	81.2	30%	0.299	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-57.1	127.7	176.7	-25.1	34.6	0	0	0	111.5	F216	P214-F216 HydrophobicContact CB-CE2 4.48Å
215	R	70.3	Confident	75.5	Confident	183 Å²	183	83.5 Å²	83.5	69%	0.691	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.5	179	-79	172.6	-176.5	-170.6	4	109.9	T213 T222 N224	T213-R215 PolarHBondContact O-N 3.25Å; R215-T222 HydrophobicContact CB-CG2 3.7Å; R215-T222 HydrophobicContact CG-CG2 3.75Å; R215-N224 WeakPolarHBondContact CG-OD1 3.39Å
216	F	67.9	Low	75.1	Confident	132 Å²	132	83.9 Å²	83.9	58%	0.579	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.7	168.7	-62.5	-86.7	0	0	0	109.1	P214 T222 G223	P214-F216 HydrophobicContact CB-CE2 4.48Å; F216-T222 CarbonylContact O-C 3.49Å; F216-T222 VanDerWaalsContact O-CA 3.31Å; F216-T222 WeakPolarHBondContact O-CA 3.4Å; F216-G223 PolarHBondContact N-O 3.49Å; F216-G223 PolarHBondContact O-N 2.91Å
217	Q	50	Low	74.8	Confident	148 Å²	148	80.4 Å²	80.4	69%	0.692	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	115	175.8	-160	175.6	21.5	0	0	109.5	K221	Q217-K221 WeakPolarHBondContact CA-O 3.19Å
218	F	49.6	Very low	74.8	Confident	188 Å²	188	76.2 Å²	76.2	83%	0.825	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.2	175.9	-159.7	-90	0	0	0	109.8	G220 K221	F218-G220 PolarHBondContact O-N 3.15Å; F218-K221 PolarHBondContact N-O 3.03Å; F218-K221 PolarHBondContact O-N 3.18Å; F218-K221 VanDerWaalsContact O-N 3.13Å
219	G	65.6	Low	74.8	Confident	82 Å²	82	73.3 Å²	73.3	85%	0.845	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	29.1	178.1	0	0	0	0	0	115	K221	G219-K221 VanDerWaalsContact C-N 3.32Å; G219-K221 PolarHBondContact O-N 2.91Å
220	G	58.4	Low	74.8	Confident	65 Å²	65	70 Å²	70	67%	0.67	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	0.4	-179.3	0	0	0	0	0	115.2	F218	F218-G220 PolarHBondContact O-N 3.15Å
221	K	40.1	Very low	74.9	Confident	175 Å²	175	67.4 Å²	67.4	76%	0.761	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.1	169.5	-64.9	-173.7	178.4	-175.9	0	109.8	Q217 F218 G219	Q217-K221 WeakPolarHBondContact CA-O 3.19Å; F218-K221 PolarHBondContact N-O 3.03Å; F218-K221 PolarHBondContact O-N 3.18Å; F218-K221 VanDerWaalsContact O-N 3.13Å; G219-K221 VanDerWaalsContact C-N 3.32Å; G219-K221 PolarHBondContact O-N 2.91Å
222	T	52.1	Low	75	Confident	81 Å²	81	70.1 Å²	70.1	50%	0.497	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.3	175.2	-55.8	0	0	0	0	108.8	R215 F216	R215-T222 HydrophobicContact CB-CG2 3.7Å; R215-T222 HydrophobicContact CG-CG2 3.75Å; F216-T222 CarbonylContact O-C 3.49Å; F216-T222 VanDerWaalsContact O-CA 3.31Å; F216-T222 WeakPolarHBondContact O-CA 3.4Å
223	G	58.7	Low	75.4	Confident	38 Å²	38	66.6 Å²	66.6	39%	0.392	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.6	172.7	0	0	0	0	0	110.4	F216	F216-G223 PolarHBondContact N-O 3.49Å; F216-G223 PolarHBondContact O-N 2.91Å
224	N	61.4	Low	75.7	Confident	60 Å²	60	68 Å²	68	32%	0.321	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.8	171.1	-59	-25.7	0	0	0	108.8	T213 R215 V226	T213-N224 WeakPolarHBondContact OG1-CB 3.3Å; T213-N224 PolarHBondContact OG1-ND2 3Å; R215-N224 WeakPolarHBondContact CG-OD1 3.39Å; N224-V226 VanDerWaalsContact C-N 3.26Å; N224-V226 VanDerWaalsContact CB-O 3.24Å; N224-V226 WeakPolarHBondContact CB-O 3.25Å
225	S	78.8	Confident	75.8	Confident	58 Å²	58	73 Å²	73	41%	0.406	39%	0.39	S	S	.	.	S	Bend	trans	-70.6	-27.5	169.5	46	0	0	0	0	112.4
226	V	89.1	Confident	76	Confident	12 Å²	12	67.6 Å²	67.6	7%	0.073	38%	0.375	C	S	.	.			trans	-146.8	153.8	177.3	-66.1	0	0	0	0	110.4	F58 T188 S189 C190 T213 N224	F58-V226 HydrophobicContact CB-CG1 4.2Å; F58-V226 HydrophobicContact CD1-CG1 4.17Å; F58-V226 HydrophobicContact CG-CG1 4.06Å; T188-V226 HydrophobicContact CG2-CB 4.08Å; T188-V226 HydrophobicContact CG2-CG1 4.43Å; T188-V226 HydrophobicContact CG2-CG2 4.33Å; S189-V226 CarbonylContact O-C 3.29Å; S189-V226 WeakPolarHBondContact O-CA 3.34Å; C190-V226 HydrophobicContact CB-CG1 4.05Å; T213-V226 VanDerWaalsContact CB-O 3.26Å; T213-V226 WeakPolarHBondContact CB-O 3.24Å; T213-V226 HydrophobicContact CG2-CG2 3.89Å; T213-V226 WeakPolarHBondContact CG2-O 3.48Å; T213-V226 PolarHBondContact OG1-O 2.74Å; N224-V226 VanDerWaalsContact C-N 3.26Å; N224-V226 VanDerWaalsContact CB-O 3.24Å; N224-V226 WeakPolarHBondContact CB-O 3.25Å
227	T	93.3	Very high	76.5	Confident	14 Å²	14	64.2 Å²	64.2	9%	0.086	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.8	171.3	-56.2	0	0	0	0	107.9	T188 S189 W192 K194 L197 I229	T188-T227 CarbonylContact C-O 3.52Å; T188-T227 WeakPolarHBondContact CA-O 3.24Å; S189-T227 PolarHBondContact N-O 2.95Å; S189-T227 PolarHBondContact O-N 3.27Å; W192-T227 WeakPolarHBondContact O-CB 3.28Å; W192-T227 PolarHBondContact O-OG1 3.34Å; K194-T227 HydrophobicContact CB-CG2 4.12Å; L197-T227 HydrophobicContact CD1-CG2 3.95Å; T227-I229 HydrophobicContact CG2-CD1 3.78Å; T227-I229 HydrophobicContact CG2-CG1 3.9Å
228	A	96.4	Very high	77.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.1	177.3	0	0	0	0	0	110.2	I187 E210 L211 T213	I187-A228 CarbonylContact O-C 3.57Å; I187-A228 VanDerWaalsContact O-CA 3.26Å; I187-A228 WeakPolarHBondContact O-CA 3.46Å; E210-A228 CarbonylContact C-O 3.59Å; E210-A228 WeakPolarHBondContact CA-O 3.25Å; L211-A228 HydrophobicContact CB-CB 3.97Å; L211-A228 HydrophobicContact CD1-CB 4.47Å; L211-A228 HydrophobicContact CG-CB 4.41Å; L211-A228 PolarHBondContact N-O 3.46Å; T213-A228 HydrophobicContact CG2-CB 4.04Å
229	I	98	Very high	79.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	141.5	-172.7	-62.3	177.6	0	0	0	110.9	I187 K194 L197 F207 K209 T227 F231	I187-I229 HydrophobicContact CG2-CB 4.14Å; I187-I229 PolarHBondContact N-O 3.38Å; I187-I229 PolarHBondContact O-N 3.36Å; K194-I229 HydrophobicContact CB-CD1 3.89Å; K194-I229 HydrophobicContact CG-CD1 3.7Å; L197-I229 HydrophobicContact CB-CD1 3.97Å; L197-I229 HydrophobicContact CD1-CD1 3.8Å; L197-I229 HydrophobicContact CD1-CG1 4.45Å; F207-I229 HydrophobicContact CD2-CG2 3.73Å; F207-I229 HydrophobicContact CE2-CG2 3.89Å; K209-I229 WeakPolarHBondContact O-CA 3.23Å; T227-I229 HydrophobicContact CG2-CD1 3.78Å; T227-I229 HydrophobicContact CG2-CG1 3.9Å; I229-F231 HydrophobicContact CB-CD2 4.41Å; I229-F231 HydrophobicContact CB-CE2 3.9Å; I229-F231 HydrophobicContact CB-CZ 4.48Å; I229-F231 HydrophobicContact CG2-CD2 3.71Å; I229-F231 HydrophobicContact CG2-CE1 4.24Å; I229-F231 HydrophobicContact CG2-CE2 3.34Å; I229-F231 HydrophobicContact CG2-CG 4.31Å; I229-F231 HydrophobicContact CG2-CZ 3.64Å
230	I	98.5	Very high	80.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.9	169.7	-44.4	-58.7	0	0	0	108.6	W69 L184 F185 I186 V208 K209 L211	W69-I230 HydrophobicContact CD2-CD1 3.9Å; W69-I230 HydrophobicContact CD2-CG1 4.01Å; W69-I230 HydrophobicContact CE3-CD1 3.7Å; W69-I230 HydrophobicContact CE3-CG1 4.25Å; W69-I230 HydrophobicContact CH2-CB 4.26Å; W69-I230 HydrophobicContact CH2-CD1 3.97Å; W69-I230 HydrophobicContact CH2-CG1 3.99Å; W69-I230 HydrophobicContact CH2-CG2 3.35Å; W69-I230 HydrophobicContact CZ2-CB 4.11Å; W69-I230 HydrophobicContact CZ2-CD1 4.17Å; W69-I230 HydrophobicContact CZ2-CG1 3.74Å; W69-I230 HydrophobicContact CZ2-CG2 3.51Å; W69-I230 HydrophobicContact CZ3-CD1 3.76Å; W69-I230 HydrophobicContact CZ3-CG1 4.26Å; W69-I230 HydrophobicContact CZ3-CG2 4.16Å; L184-I230 HydrophobicContact CD2-CG2 4.08Å; F185-I230 CarbonylContact O-C 3.56Å; F185-I230 WeakPolarHBondContact O-CA 3.42Å; I186-I230 HydrophobicContact CB-CD1 4.02Å; I186-I230 HydrophobicContact CD1-CD1 4.22Å; I186-I230 HydrophobicContact CG1-CD1 3.74Å; I186-I230 HydrophobicContact CG2-CD1 3.63Å; V208-I230 HydrophobicContact CB-CB 4.04Å; V208-I230 HydrophobicContact CB-CG2 3.88Å; V208-I230 HydrophobicContact CG1-CB 4.48Å; V208-I230 HydrophobicContact CG1-CG2 4.18Å; V208-I230 HydrophobicContact CG2-CG2 4.31Å; V208-I230 PolarHBondContact N-O 3.43Å; K209-I230 HydrophobicContact CB-CB 4.35Å; K209-I230 HydrophobicContact CB-CG1 4.21Å; K209-I230 PolarHBondContact N-O 3.46Å; K209-I230 PolarHBondContact O-N 3.27Å; L211-I230 HydrophobicContact CD1-CD1 4.11Å; L211-I230 HydrophobicContact CD2-CD1 4.26Å; L211-I230 HydrophobicContact CD2-CG1 4.01Å; L211-I230 HydrophobicContact CG-CD1 4.18Å; L211-I230 HydrophobicContact CG-CG1 4.28Å
231	F	98.7	Very high	81.9	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	157.2	170.3	-68.8	-83.8	0	0	0	110.1	L184 F185 I187 L197 L198 F201 F205 D206 I229	L184-F231 CarbonylContact C-O 3.58Å; L184-F231 WeakPolarHBondContact CA-O 3.42Å; F185-F231 HydrophobicContact CB-CB 4.12Å; F185-F231 HydrophobicContact CD1-CB 4.17Å; F185-F231 AromaticContact CD1-CD2 3.72Å; F185-F231 HydrophobicContact CD1-CD2 3.72Å; F185-F231 HydrophobicContact CD1-CG 4.29Å; F185-F231 HydrophobicContact CE1-CD2 4.22Å; F185-F231 PolarHBondContact N-O 3.02Å; F185-F231 PolarHBondContact O-N 2.72Å; I187-F231 HydrophobicContact CG2-CD2 4.13Å; I187-F231 HydrophobicContact CG2-CE2 3.81Å; L197-F231 HydrophobicContact CB-CZ 4.25Å; L198-F231 HydrophobicContact CD2-CE1 3.61Å; L198-F231 HydrophobicContact CD2-CZ 3.88Å; F201-F231 HydrophobicContact CB-CD1 4.25Å; F201-F231 HydrophobicContact CB-CE1 3.9Å; F201-F231 HydrophobicContact CB-CE2 4.42Å; F201-F231 HydrophobicContact CB-CZ 3.99Å; F201-F231 HydrophobicContact CD2-CE2 4.08Å; F201-F231 HydrophobicContact CD2-CZ 4.11Å; F201-F231 HydrophobicContact CG-CE2 4.4Å; F201-F231 HydrophobicContact CG-CZ 4.36Å; F205-F231 HydrophobicContact CB-CB 4.04Å; F205-F231 HydrophobicContact CB-CD1 4Å; F205-F231 HydrophobicContact CB-CG 4.3Å; F205-F231 HydrophobicContact CD1-CB 4.19Å; F205-F231 HydrophobicContact CG-CB 4.47Å; D206-F231 CarbonylContact O-C 3.56Å; D206-F231 VanDerWaalsContact O-CA 3.23Å; D206-F231 WeakPolarHBondContact O-CA 3.22Å; I229-F231 HydrophobicContact CB-CD2 4.41Å; I229-F231 HydrophobicContact CB-CE2 3.9Å; I229-F231 HydrophobicContact CB-CZ 4.48Å; I229-F231 HydrophobicContact CG2-CD2 3.71Å; I229-F231 HydrophobicContact CG2-CE1 4.24Å; I229-F231 HydrophobicContact CG2-CE2 3.34Å; I229-F231 HydrophobicContact CG2-CG 4.31Å; I229-F231 HydrophobicContact CG2-CZ 3.64Å
232	K	98.3	Very high	84.9	Confident	62 Å²	62	40.1 Å²	40.1	27%	0.27	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.2	169.1	-173.5	-179.4	64.8	163.3	0	109.1	E182 G183 L184 F205 D206 V208 L234	E182-K232 HydrophobicContact CB-CD 4.37Å; E182-K232 WeakPolarHBondContact O-CG 3.43Å; E182-K232 IonicContact OE1-NZ 2.93Å; E182-K232 WeakPolarHBondContact OE2-CD 3.5Å; E182-K232 VanDerWaalsContact OE2-CE 3.26Å; E182-K232 WeakPolarHBondContact OE2-CE 3.17Å; E182-K232 IonicContact OE2-NZ 3.71Å; E182-K232 PolarHBondContact OE2-NZ 3.18Å; G183-K232 CarbonylContact O-C 3.57Å; G183-K232 WeakPolarHBondContact O-CA 3.27Å; L184-K232 HydrophobicContact CD2-CB 4.37Å; F205-K232 CarbonylContact C-O 3.59Å; F205-K232 VanDerWaalsContact CA-O 3.28Å; F205-K232 WeakPolarHBondContact CA-O 2.92Å; D206-K232 PolarHBondContact N-O 3.01Å; D206-K232 PolarHBondContact O-N 3.33Å; V208-K232 HydrophobicContact CG2-CB 3.67Å; K232-L234 PolarHBondContact O-N 3.29Å
233	R	97.7	Very high	87.5	Confident	36 Å²	36	36.9 Å²	36.9	14%	0.136	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.2	176.9	177.1	173.5	169.8	-152.7	-4.1	110.2	R176 L179 K180 E182 G183 F205 H235	R176-R233 PolarHBondContact O-NE 3.35Å; R176-R233 PolarHBondContact O-NH1 2.9Å; L179-R233 HydrophobicContact CB-CB 4.32Å; L179-R233 HydrophobicContact CD1-CB 4.41Å; L179-R233 PolarHBondContact O-NH1 2.99Å; K180-R233 WeakPolarHBondContact O-CD 2.85Å; E182-R233 WeakPolarHBondContact CA-O 3.16Å; E182-R233 PolarHBondContact N-O 2.83Å; E182-R233 VanDerWaalsContact N-O 3.07Å; G183-R233 PolarHBondContact O-N 2.68Å; F205-R233 HydrophobicContact CD1-CB 4.03Å; F205-R233 HydrophobicContact CE1-CB 3.73Å; F205-R233 HydrophobicContact CE1-CG 4.17Å; R233-H235 PolarHBondContact NH2-OXT 3.19Å
234	L	92.4	Very high	89.9	Confident	47 Å²	47	36.8 Å²	36.8	25%	0.246	19%	0.187	C	C	.	.			trans	-92.4	160.7	167	-55.9	177.1	0	0	0	110	G204 D206 K232	G204-L234 WeakPolarHBondContact O-CB 3.31Å; G204-L234 PolarHBondContact O-N 3.13Å; D206-L234 HydrophobicContact CB-CD2 4.14Å; D206-L234 HydrophobicContact CB-CG 4.46Å; D206-L234 WeakPolarHBondContact OD2-CD2 3.39Å; K232-L234 PolarHBondContact O-N 3.29Å
235	H	75.7	Confident	92.4	Very high	151 Å²	151	34.7 Å²	34.7	70%	0.699	18%	0.175	S	C	*	.			trans	-34.1	0	178	-49.5	-65.9	0	0	0	113.6	R176 E181 R233	R176-H235 PolarHBondContact NH2-O 3.3Å; R176-H235 VanDerWaalsContact NH2-O 3.09Å; E181-H235 IonicContact OE2-CE1 2.96Å; E181-H235 IonicContact OE2-ND1 2.73Å; E181-H235 PolarHBondContact OE2-ND1 3.49Å; R233-H235 PolarHBondContact NH2-OXT 3.19Å

Retrieved 235 of 235 residues in 1325.6 ms (Link to these results)

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