A0A087Y9T1_POEFO Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB (A0A3B3UF89), UniProt , Accession A0A087Y9T1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	41.9	Very low	244 Å²	244	132.4 Å²	132.4	100%	1.202	83%	0.834	S	S	*	*				0	110.4	0	-81.9	178.2	-171.1	0	0	107.7	S3	M1-S3 PolarHBondContact O-N 3.17Å
2	L	31.6	Very low	42.4	Very low	185 Å²	185	137.4 Å²	137.4	97%	0.969	84%	0.835	S	S	*	*			trans	-74.6	110.8	170.9	-81.2	154.2	0	0	0	107.5	A4	L2-A4 PolarHBondContact O-N 3.2Å
3	S	32	Very low	42.9	Very low	118 Å²	118	141.7 Å²	141.7	83%	0.825	84%	0.844	S	S	*	*			trans	-77.2	117.3	169.9	51.6	0	0	0	0	108.9	M1	M1-S3 PolarHBondContact O-N 3.17Å
4	A	44.8	Very low	43.7	Very low	95 Å²	95	140.1 Å²	140.1	79%	0.785	82%	0.82	S	S	*	*			trans	-70.3	122.5	164.1	0	0	0	0	0	108.7	L2	L2-A4 PolarHBondContact O-N 3.2Å
5	Q	39	Very low	44.3	Very low	199 Å²	199	141.2 Å²	141.2	93%	0.93	82%	0.815	S	S	*	*			trans	-167.3	128.1	152.8	-109.1	168.9	22	0	0	112
6	G	40.5	Very low	45	Very low	54 Å²	54	145.5 Å²	145.5	56%	0.557	82%	0.815	S	S	*	*			trans	118.8	88.9	153.6	0	0	0	0	0	116.8	G8 K14	G6-G8 PolarHBondContact O-N 3.32Å; G6-K14 PolarHBondContact O-NZ 3.34Å
7	F	43.9	Very low	45.5	Very low	224 Å²	224	145.9 Å²	145.9	98%	0.982	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-54.7	119.7	157.9	-80.6	-90.9	0	0	0	109.5
8	G	43.5	Very low	46.3	Very low	54 Å²	54	149.9 Å²	149.9	56%	0.557	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-89.9	135	172.2	0	0	0	0	0	110.3	G6	G6-G8 PolarHBondContact O-N 3.32Å
9	G	46.9	Very low	46.9	Very low	60 Å²	60	147.5 Å²	147.5	62%	0.619	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.3	168.6	-179.2	0	0	0	0	0	114.7	G11	G9-G11 PolarHBondContact O-N 3.41Å
10	P	48.9	Very low	48.1	Very low	143 Å²	143	141.6 Å²	141.6	93%	0.929	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	124	-169.6	29.7	-32.3	0	0	0	111.1
11	G	56.4	Low	49.3	Very low	80 Å²	80	140.1 Å²	140.1	83%	0.825	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.7	4.5	162.9	0	0	0	0	0	118.1	G9	G9-G11 PolarHBondContact O-N 3.41Å
12	K	48.7	Very low	51.2	Low	193 Å²	193	133.6 Å²	133.6	84%	0.839	77%	0.768	S	S	*	*			trans	-121.3	120.8	169	-69.4	-172.9	177.4	-175.4	0	110.3	K14	K12-K14 PolarHBondContact O-N 2.94Å
13	M	47.9	Very low	53.4	Low	193 Å²	193	130.9 Å²	130.9	95%	0.951	75%	0.75	S	S	*	*			trans	-56.2	123.2	162.6	-99.2	-173.5	179.9	0	0	107.2	E15	M13-E15 PolarHBondContact O-N 2.79Å
14	K	54.1	Low	55.8	Low	119 Å²	119	133.8 Å²	133.8	52%	0.517	75%	0.75	S	S	.	*			trans	-61.3	122.5	171.2	-82	-176	176.1	-179.5	0	107.5	G6 K12 Y16	G6-K14 PolarHBondContact O-NZ 3.34Å; K12-K14 PolarHBondContact O-N 2.94Å; K14-Y16 HydrophobicContact CB-CE2 4.5Å; K14-Y16 VanDerWaalsContact O-CD2 3.27Å; K14-Y16 WeakPolarHBondContact O-CD2 3.47Å; K14-Y16 PolarHBondContact O-N 3.4Å
15	E	53.5	Low	58.1	Low	157 Å²	157	136.7 Å²	136.7	73%	0.734	75%	0.745	S	S	*	*			trans	-62.4	106.8	163.4	-78.9	-179.6	146.1	0	0	107.4	M13 H17	M13-E15 PolarHBondContact O-N 2.79Å; E15-H17 VanDerWaalsContact C-N 3.25Å; E15-H17 PolarHBondContact O-N 2.94Å; E15-H17 IonicContact OE2-CE1 3.87Å; E15-H17 IonicContact OE2-NE2 3.52Å
16	Y	54.8	Low	60.7	Low	210 Å²	210	135.9 Å²	135.9	82%	0.824	74%	0.739	S	S	*	*			trans	-74.2	86.4	169.8	-71.3	-89	0	0	0	107.4	K14 Y18	K14-Y16 HydrophobicContact CB-CE2 4.5Å; K14-Y16 VanDerWaalsContact O-CD2 3.27Å; K14-Y16 WeakPolarHBondContact O-CD2 3.47Å; K14-Y16 PolarHBondContact O-N 3.4Å; Y16-Y18 PolarHBondContact O-N 2.69Å
17	H	54.5	Low	63.2	Low	153 Å²	153	136.5 Å²	136.5	71%	0.708	74%	0.735	S	S	*	*			trans	-69.6	102.3	166.7	-67.2	-62.1	0	0	0	108.3	E15 A19	E15-H17 VanDerWaalsContact C-N 3.25Å; E15-H17 PolarHBondContact O-N 2.94Å; E15-H17 IonicContact OE2-CE1 3.87Å; E15-H17 IonicContact OE2-NE2 3.52Å; H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 2.99Å
18	Y	59.9	Low	65.6	Low	217 Å²	217	128.2 Å²	128.2	85%	0.851	70%	0.704	S	S	*	*			trans	-67.9	92.9	169.4	-171.9	-96.2	0	0	0	108.6	Y16 G20	Y16-Y18 PolarHBondContact O-N 2.69Å; Y18-G20 PolarHBondContact O-N 2.82Å
19	A	57.8	Low	68.2	Low	105 Å²	105	128.9 Å²	128.9	87%	0.868	69%	0.69	S	S	*	*			trans	-82	52.6	176.6	0	0	0	0	0	111.3	H17	H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 2.99Å
20	G	70.7	Confident	70.5	Confident	28 Å²	28	127.3 Å²	127.3	29%	0.289	67%	0.671	S	S	.	*	P	Polyproline II helix	trans	-82.7	167.4	171.5	0	0	0	0	0	111.9	Y18 V22	Y18-G20 PolarHBondContact O-N 2.82Å; G20-V22 PolarHBondContact O-N 2.85Å
21	A	72.4	Confident	72.8	Confident	111 Å²	111	123.5 Å²	123.5	92%	0.917	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-59.6	127	169.6	0	0	0	0	0	109.8
22	V	73.8	Confident	74.7	Confident	107 Å²	107	120.3 Å²	120.3	65%	0.648	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-95.7	119	179	-177.6	0	0	0	0	108.6	G20 H24	G20-V22 PolarHBondContact O-N 2.85Å; V22-H24 PolarHBondContact O-CD2 2.86Å; V22-H24 PolarHBondContact O-N 2.85Å
23	E	76.8	Confident	77	Confident	128 Å²	128	111.3 Å²	111.3	60%	0.598	57%	0.565	S	S	*	*			trans	-77.2	115.8	172.3	-173.3	171	-160.5	0	0	109.5	K25	E23-K25 HydrophobicContact CG-CG 3.74Å; E23-K25 WeakPolarHBondContact OE1-CE 3.35Å; E23-K25 WeakPolarHBondContact OE1-CG 3.36Å; E23-K25 IonicContact OE1-NZ 3.94Å
24	H	83.4	Confident	79.3	Confident	180 Å²	180	102.1 Å²	102.1	83%	0.833	52%	0.52	S	S	*	.			trans	-88.4	-9	-178.3	-70.5	-75.8	0	0	0	114	V22	V22-H24 PolarHBondContact O-CD2 2.86Å; V22-H24 PolarHBondContact O-N 2.85Å
25	K	92	Very high	81.4	Confident	156 Å²	156	96.4 Å²	96.4	68%	0.678	50%	0.496	S	S	*	.	S	Bend	trans	-98.6	145.8	-179.5	64	-179.6	-176.5	179.7	0	110.3	E23	E23-K25 HydrophobicContact CG-CG 3.74Å; E23-K25 WeakPolarHBondContact OE1-CE 3.35Å; E23-K25 WeakPolarHBondContact OE1-CG 3.36Å; E23-K25 IonicContact OE1-NZ 3.94Å
26	F	93.5	Very high	83.6	Confident	182 Å²	182	89 Å²	89	80%	0.798	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-81.3	120.8	173.5	171.6	-109.2	0	0	0	110.3	P28	F26-P28 HydrophobicContact CE1-CB 3.79Å; F26-P28 HydrophobicContact CZ-CB 4.08Å
27	S	93.3	Very high	85.7	Confident	66 Å²	66	79 Å²	79	46%	0.462	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-97.8	122.2	165.5	179.6	0	0	0	0	109	Y29	S27-Y29 PolarHBondContact O-N 2.78Å; S27-Y29 PolarHBondContact OG-O 2.92Å
28	P	95.2	Very high	87.8	Confident	51 Å²	51	71.8 Å²	71.8	33%	0.331	39%	0.388	S	S	.	.	S	Bend	trans	-74.4	-9.9	-177.7	29.8	-35.1	0	0	0	114.2	F26 F126	F26-P28 HydrophobicContact CE1-CB 3.79Å; F26-P28 HydrophobicContact CZ-CB 4.08Å; P28-F126 HydrophobicContact CB-CE2 4.33Å; P28-F126 HydrophobicContact CB-CZ 4.02Å; P28-F126 HydrophobicContact CG-CE2 3.96Å; P28-F126 HydrophobicContact CG-CZ 4.17Å
29	Y	96.8	Very high	89.6	Confident	68 Å²	68	61.5 Å²	61.5	27%	0.267	35%	0.348	S	S	.	.			trans	-119.2	144.1	-176.5	-58.1	-54.2	0	0	0	112.1	S27 F81 F126 P127	S27-Y29 PolarHBondContact O-N 2.78Å; S27-Y29 PolarHBondContact OG-O 2.92Å; Y29-F81 HydrophobicContact CD1-CD1 4.2Å; Y29-F126 HydrophobicContact CE1-CZ 4.38Å; Y29-F126 HydrophobicContact CE2-CE2 4.22Å; Y29-F126 AromaticContact CZ-CE2 3.8Å; Y29-F126 WeakPolarHBondContact OH-CD2 3.37Å; Y29-F126 VanDerWaalsContact OH-CE2 3.26Å; Y29-F126 WeakPolarHBondContact OH-CE2 3.38Å; Y29-P127 PolarHBondContact OH-O 3.15Å
30	A	95.6	Very high	91.5	Very high	26 Å²	26	57 Å²	57	22%	0.215	31%	0.311	C	S	.	.			trans	-128.1	151.2	166.5	0	0	0	0	0	109.1	E55 F81	A30-E55 HydrophobicContact CB-CG 4.49Å; A30-F81 HydrophobicContact CB-CD2 4.33Å; A30-F81 HydrophobicContact CB-CE2 4.3Å; A30-F81 WeakPolarHBondContact O-CB 3.48Å; A30-F81 WeakPolarHBondContact O-CD2 3.35Å
31	F	97	Very high	92.8	Very high	64 Å²	64	56.3 Å²	56.3	28%	0.281	30%	0.304	S	S	.	.			trans	-94	121.2	173	-179.9	-108.4	0	0	0	109.3	Y129 Y212	F31-Y129 HydrophobicContact CB-CE1 4.44Å; F31-Y129 AromaticContact CD2-CE1 3.91Å; F31-Y129 HydrophobicContact CD2-CE1 3.91Å; F31-Y212 HydrophobicContact CD1-CE1 4.18Å; F31-Y212 HydrophobicContact CE1-CD1 4.19Å; F31-Y212 HydrophobicContact CE1-CD2 4.05Å; F31-Y212 HydrophobicContact CE1-CE1 4.08Å; F31-Y212 AromaticContact CE1-CE2 3.93Å; F31-Y212 HydrophobicContact CE1-CE2 3.93Å; F31-Y212 HydrophobicContact CE1-CG 4.18Å; F31-Y212 AromaticContact CE1-CZ 3.94Å
32	N	98.1	Very high	93.9	Very high	12 Å²	12	57.2 Å²	57.2	6%	0.064	29%	0.289	C	S	.	.			trans	-102.7	1.8	-179.2	-60	115.2	0	0	0	114.5	L53 S54 G80 F81 H82	N32-L53 HydrophobicContact CB-CD1 3.85Å; N32-S54 CarbonylContact C-O 3.59Å; N32-S54 WeakPolarHBondContact CA-O 3.37Å; N32-S54 PolarHBondContact ND2-O 3.24Å; N32-S54 VanDerWaalsContact ND2-O 3.15Å; N32-S54 PolarHBondContact O-OG 2.98Å; N32-G80 WeakPolarHBondContact CB-O 3.35Å; N32-G80 PolarHBondContact N-O 2.71Å; N32-F81 WeakPolarHBondContact OD1-CD2 3.44Å; N32-H82 HydrophobicContact CB-CB 4.15Å; N32-H82 WeakPolarHBondContact OD1-CB 3.42Å; N32-H82 PolarHBondContact OD1-N 3.01Å
33	G	96.3	Very high	95	Very high	4 Å²	4	57.1 Å²	57.1	4%	0.041	29%	0.285	C	S	.	.			trans	72.2	-144.8	-179.2	0	0	0	0	0	113.1
34	G	96.6	Very high	96.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.			trans	82.7	143.9	-175.2	0	0	0	0	0	112.8	D50 G163 S164	G34-D50 WeakPolarHBondContact CA-OD1 3.25Å; G34-G163 VanDerWaalsContact O-CA 3.23Å; G34-G163 WeakPolarHBondContact O-CA 3.23Å; G34-S164 PolarHBondContact O-N 2.78Å; G34-S164 VanDerWaalsContact O-N 3.09Å
35	T	98.6	Very high	96.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	129.9	179.3	-65.9	0	0	0	0	109.3	S49 D50 S164 A165 L169 F203 T213	T35-S49 VanDerWaalsContact O-CA 3.24Å; T35-S49 WeakPolarHBondContact O-CA 3.23Å; T35-S49 WeakPolarHBondContact O-CB 3.46Å; T35-D50 PolarHBondContact N-OD1 2.94Å; T35-D50 PolarHBondContact O-N 3.31Å; T35-S164 PolarHBondContact OG1-OG 3.17Å; T35-S164 VanDerWaalsContact OG1-OG 3.14Å; T35-A165 HydrophobicContact CG2-CB 3.93Å; T35-A165 VanDerWaalsContact OG1-CB 3.3Å; T35-A165 WeakPolarHBondContact OG1-CB 3.42Å; T35-A165 PolarHBondContact OG1-N 3.06Å; T35-A165 VanDerWaalsContact OG1-N 3.13Å; T35-L169 HydrophobicContact CG2-CD1 3.48Å; T35-L169 VanDerWaalsContact CG2-CD1 3.48Å; T35-L169 HydrophobicContact CG2-CG 4.47Å; T35-F203 HydrophobicContact CG2-CE1 3.88Å; T35-F203 HydrophobicContact CG2-CZ 4.09Å; T35-T213 PolarHBondContact OG1-OG1 3.32Å
36	V	98.4	Very high	97.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.4	177.8	177.7	0	0	0	0	108.5	A48 K66 I133 A161 G162	V36-A48 CarbonylContact C-O 3.52Å; V36-A48 WeakPolarHBondContact CA-O 2.97Å; V36-K66 HydrophobicContact CG2-CB 4.14Å; V36-I133 HydrophobicContact CB-CD1 4.35Å; V36-I133 HydrophobicContact CG1-CB 4.1Å; V36-I133 HydrophobicContact CG1-CD1 4.03Å; V36-I133 HydrophobicContact CG1-CG1 4.42Å; V36-A161 CarbonylContact O-C 3.57Å; V36-A161 WeakPolarHBondContact O-CA 3.3Å; V36-G162 PolarHBondContact N-O 2.89Å; V36-G162 PolarHBondContact O-N 2.83Å
37	L	98.5	Very high	97.4	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	140.8	178.4	174.3	64	0	0	0	109.1	V47 A48 K160 A161 L169 L173 V199 V202 F203	L37-V47 CarbonylContact O-C 3.58Å; L37-V47 WeakPolarHBondContact O-CA 3.38Å; L37-A48 PolarHBondContact N-O 2.91Å; L37-A48 PolarHBondContact O-N 3.4Å; L37-K160 WeakPolarHBondContact CA-O 3.41Å; L37-K160 WeakPolarHBondContact CD1-O 3.23Å; L37-A161 HydrophobicContact CD1-CB 4.06Å; L37-L169 HydrophobicContact CB-CD1 4.43Å; L37-L173 HydrophobicContact CD1-CD1 3.36Å; L37-L173 HydrophobicContact CD1-CD2 4.37Å; L37-L173 HydrophobicContact CD1-CG 4.45Å; L37-V199 HydrophobicContact CD2-CB 4.4Å; L37-V199 HydrophobicContact CD2-CG1 4.31Å; L37-V199 HydrophobicContact CD2-CG2 3.84Å; L37-V202 HydrophobicContact CD2-CG2 3.81Å; L37-F203 HydrophobicContact CB-CE2 3.7Å; L37-F203 HydrophobicContact CB-CZ 4Å; L37-F203 HydrophobicContact CD2-CD2 4.3Å; L37-F203 HydrophobicContact CD2-CE2 3.78Å; L37-F203 HydrophobicContact CG-CE2 4.39Å
38	A	98.6	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.7	165.3	0	0	0	0	0	112.6	I46 V47 I133 V145 Y159 K160	A38-I46 CarbonylContact C-O 3.44Å; A38-I46 WeakPolarHBondContact CA-O 3.17Å; A38-I46 WeakPolarHBondContact CB-O 3.31Å; A38-V47 HydrophobicContact CB-CG2 4.15Å; A38-I133 HydrophobicContact CB-CG2 3.39Å; A38-V145 HydrophobicContact CB-CB 4.46Å; A38-V145 HydrophobicContact CB-CG1 3.83Å; A38-V145 HydrophobicContact CB-CG2 3.72Å; A38-Y159 CarbonylContact O-C 3.59Å; A38-Y159 VanDerWaalsContact O-CA 3.25Å; A38-Y159 WeakPolarHBondContact O-CA 3.4Å; A38-K160 PolarHBondContact N-O 3.13Å; A38-K160 PolarHBondContact O-N 3.5Å
39	V	98.6	Very high	97.8	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	128.6	179.1	-179.3	0	0	0	0	109	A45 I46 I177 L190	V39-A45 CarbonylContact O-C 3.59Å; V39-A45 WeakPolarHBondContact O-CA 3.33Å; V39-I46 PolarHBondContact N-O 3.46Å; V39-I46 PolarHBondContact O-N 3.39Å; V39-I177 HydrophobicContact CG1-CD1 3.83Å; V39-I177 HydrophobicContact CG2-CD1 4.05Å; V39-L190 HydrophobicContact CG1-CD2 3.51Å
40	A	98.3	Very high	97.9	Very high	11 Å²	11	17.6 Å²	17.6	9%	0.091	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.8	171.3	0	0	0	0	0	109.9	V145 T158	A40-V145 HydrophobicContact CB-CG2 4.01Å; A40-T158 WeakPolarHBondContact CB-O 3.37Å; A40-T158 PolarHBondContact N-O 3.4Å
41	G	97	Very high	98	Very high	13 Å²	13	16.4 Å²	16.4	13%	0.134	9%	0.086	C	C	.	.			trans	-102.5	-173	166.9	0	0	0	0	0	111.8	F44 G143	G41-F44 WeakPolarHBondContact CA-O 3.42Å; G41-F44 PolarHBondContact N-O 3.05Å; G41-G143 WeakPolarHBondContact O-CA 3.46Å; G41-G143 PolarHBondContact O-N 2.88Å; G41-G143 VanDerWaalsContact O-N 3.1Å
42	E	96.3	Very high	98.1	Very high	130 Å²	130	14 Å²	14	61%	0.607	8%	0.075	S	C	*	.	S	Bend	trans	-69.1	-41.4	-178.9	-169.4	63.6	-150.7	0	0	112.1	K142	E42-K142 VanDerWaalsContact O-CA 3.3Å; E42-K142 WeakPolarHBondContact O-CA 3.27Å
43	D	97.1	Very high	98.1	Very high	105 Å²	105	14.5 Å²	14.5	56%	0.561	8%	0.078	S	C	*	.	S	Bend	trans	-131	11.1	-176.9	64.8	-25.2	0	0	0	113.2
44	F	98.2	Very high	98.2	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	8%	0.078	C	C	.	.			trans	-142.7	160.5	-179.9	71.4	-89.4	0	0	0	111.9	G41 I46 G143 L190 Q192 A195 I222 T223	G41-F44 WeakPolarHBondContact CA-O 3.42Å; G41-F44 PolarHBondContact N-O 3.05Å; F44-I46 HydrophobicContact CD2-CD1 4.16Å; F44-I46 HydrophobicContact CD2-CG1 3.85Å; F44-I46 HydrophobicContact CE2-CD1 3.78Å; F44-I46 HydrophobicContact CE2-CG1 3.93Å; F44-G143 WeakPolarHBondContact O-CA 3.43Å; F44-L190 WeakPolarHBondContact CE1-O 3.41Å; F44-L190 HydrophobicContact CZ-CG 4.49Å; F44-Q192 HydrophobicContact CD1-CB 3.82Å; F44-Q192 HydrophobicContact CD1-CG 4.25Å; F44-Q192 HydrophobicContact CD2-CB 4.4Å; F44-Q192 HydrophobicContact CD2-CG 4.1Å; F44-Q192 HydrophobicContact CE1-CB 3.8Å; F44-Q192 HydrophobicContact CE2-CB 4.39Å; F44-Q192 HydrophobicContact CE2-CG 4.37Å; F44-Q192 HydrophobicContact CG-CB 4.14Å; F44-Q192 HydrophobicContact CG-CG 4.05Å; F44-Q192 VanDerWaalsContact CZ-CA 3.43Å; F44-Q192 HydrophobicContact CZ-CB 4.11Å; F44-A195 HydrophobicContact CE2-CB 3.76Å; F44-A195 HydrophobicContact CZ-CB 3.82Å; F44-I222 CarbonylContact C-O 3.6Å; F44-I222 VanDerWaalsContact CA-O 3.23Å; F44-I222 WeakPolarHBondContact CA-O 3.34Å; F44-T223 HydrophobicContact CB-CG2 4.13Å
45	A	98.5	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.7	164.5	0	0	0	0	0	109.9	V39 G136 I222	V39-A45 CarbonylContact O-C 3.59Å; V39-A45 WeakPolarHBondContact O-CA 3.33Å; A45-G136 WeakPolarHBondContact CB-O 3.48Å; A45-I222 HydrophobicContact CB-CB 4.34Å; A45-I222 HydrophobicContact CB-CD1 4.26Å; A45-I222 PolarHBondContact N-O 2.88Å; A45-I222 WeakPolarHBondContact O-CB 3.2Å; A45-I222 PolarHBondContact O-N 2.79Å
46	I	98.7	Very high	98	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.1	175.1	-59.7	173.4	0	0	0	108.1	A38 V39 F44 A195 V196 V199 V219 C220 V221	A38-I46 CarbonylContact C-O 3.44Å; A38-I46 WeakPolarHBondContact CA-O 3.17Å; A38-I46 WeakPolarHBondContact CB-O 3.31Å; V39-I46 PolarHBondContact N-O 3.46Å; V39-I46 PolarHBondContact O-N 3.39Å; F44-I46 HydrophobicContact CD2-CD1 4.16Å; F44-I46 HydrophobicContact CD2-CG1 3.85Å; F44-I46 HydrophobicContact CE2-CD1 3.78Å; F44-I46 HydrophobicContact CE2-CG1 3.93Å; I46-A195 HydrophobicContact CD1-CB 3.54Å; I46-V196 HydrophobicContact CD1-CB 4.47Å; I46-V196 HydrophobicContact CD1-CG2 3.58Å; I46-V199 HydrophobicContact CG2-CG2 4.2Å; I46-V219 HydrophobicContact CG2-CG1 3.72Å; I46-C220 WeakPolarHBondContact CA-O 3.36Å; I46-V221 HydrophobicContact CG1-CG1 4.43Å; I46-V221 HydrophobicContact CG1-CG2 4.38Å
47	V	98.8	Very high	97.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.2	166.9	-174.5	0	0	0	0	107.7	L37 A38 V75 C220 I222	L37-V47 CarbonylContact O-C 3.58Å; L37-V47 WeakPolarHBondContact O-CA 3.38Å; A38-V47 HydrophobicContact CB-CG2 4.15Å; V47-V75 HydrophobicContact CB-CB 4.34Å; V47-V75 HydrophobicContact CB-CG1 4.05Å; V47-V75 HydrophobicContact CG1-CG1 4.13Å; V47-V75 HydrophobicContact CG2-CB 4.12Å; V47-V75 HydrophobicContact CG2-CG1 4.33Å; V47-C220 PolarHBondContact N-O 2.62Å; V47-C220 WeakPolarHBondContact O-CB 3.38Å; V47-C220 PolarHBondContact O-N 2.79Å; V47-I222 HydrophobicContact CG2-CD1 4.11Å
48	A	98.7	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.1	-178.8	0	0	0	0	0	111.5	V36 L37 V199 F203 L217 R218 V219	V36-A48 CarbonylContact C-O 3.52Å; V36-A48 WeakPolarHBondContact CA-O 2.97Å; L37-A48 PolarHBondContact N-O 2.91Å; L37-A48 PolarHBondContact O-N 3.4Å; A48-V199 HydrophobicContact CB-CG1 3.56Å; A48-F203 HydrophobicContact CB-CE2 3.99Å; A48-F203 HydrophobicContact CB-CZ 4.45Å; A48-L217 HydrophobicContact CB-CD1 4.12Å; A48-R218 CarbonylContact C-O 3.51Å; A48-R218 WeakPolarHBondContact CA-O 3.49Å; A48-V219 HydrophobicContact CB-CG2 4.22Å
49	S	98.6	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152	173.8	61.2	0	0	0	0	112.2	T35 K66 C67 R218	T35-S49 VanDerWaalsContact O-CA 3.24Å; T35-S49 WeakPolarHBondContact O-CA 3.23Å; T35-S49 WeakPolarHBondContact O-CB 3.46Å; S49-K66 PolarHBondContact OG-N 3Å; S49-K66 VanDerWaalsContact OG-N 3.15Å; S49-C67 PolarHBondContact OG-N 2.95Å; S49-C67 PolarHBondContact OG-SG 3.34Å; S49-R218 PolarHBondContact N-O 3.21Å; S49-R218 PolarHBondContact O-N 3.12Å
50	D	98.5	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	164.9	169.7	80	-49.5	0	0	0	111.5	G34 T35 K66 F203 T213 A216	G34-D50 WeakPolarHBondContact CA-OD1 3.25Å; T35-D50 PolarHBondContact N-OD1 2.94Å; T35-D50 PolarHBondContact O-N 3.31Å; D50-K66 WeakPolarHBondContact O-CD 3.4Å; D50-K66 PolarHBondContact O-NZ 3.36Å; D50-K66 IonicContact OD1-NZ 3.6Å; D50-F203 HydrophobicContact CB-CE1 4.32Å; D50-T213 HydrophobicContact CB-CG2 4.17Å; D50-A216 CarbonylContact C-O 3.6Å; D50-A216 VanDerWaalsContact CA-O 3.28Å; D50-A216 WeakPolarHBondContact CA-O 3.2Å
51	T	98.6	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.			trans	-107.8	-5.7	-176	61.6	0	0	0	0	114.5	L53 R62 S64 P65 K66 A216	T51-L53 PolarHBondContact O-N 3.32Å; T51-R62 WeakPolarHBondContact CB-O 3.44Å; T51-R62 PolarHBondContact OG1-O 3.05Å; T51-S64 CarbonylContact C-O 3.51Å; T51-S64 WeakPolarHBondContact CA-O 3.44Å; T51-S64 WeakPolarHBondContact O-CA 3.16Å; T51-S64 PolarHBondContact O-N 2.83Å; T51-P65 HydrophobicContact CG2-CB 4.5Å; T51-K66 PolarHBondContact O-NZ 2.86Å; T51-A216 HydrophobicContact CG2-CB 4Å; T51-A216 PolarHBondContact N-O 3.02Å; T51-A216 WeakPolarHBondContact OG1-CB 3.27Å; T51-A216 PolarHBondContact OG1-N 3.23Å; T51-A216 VanDerWaalsContact OG1-N 3.14Å; T51-A216 PolarHBondContact OG1-O 3.09Å
52	R	98.5	Very high	97.8	Very high	15 Å²	15	51.8 Å²	51.8	6%	0.057	26%	0.261	C	S	.	.			trans	-67.2	128.8	-179.9	-177.3	166.9	-72.3	-169	-3.6	112	K66 V211 D215 D237	R52-K66 PolarHBondContact O-NZ 3.01Å; R52-V211 PolarHBondContact NH1-O 2.88Å; R52-D215 WeakPolarHBondContact CB-OD2 3.42Å; R52-D215 IonicContact CZ-OD1 3.67Å; R52-D215 IonicContact CZ-OD2 2.61Å; R52-D215 IonicContact NE-OD1 3.55Å; R52-D215 IonicContact NE-OD2 3.17Å; R52-D215 PolarHBondContact NE-OD2 3.48Å; R52-D215 IonicContact NH2-OD1 2.67Å; R52-D215 PolarHBondContact NH2-OD1 3.47Å; R52-D215 IonicContact NH2-OD2 3.11Å; R52-D215 PolarHBondContact NH2-OD2 2.96Å; R52-D237 VanDerWaalsContact CZ-O 3.25Å; R52-D237 PolarHBondContact NH1-O 3.46Å; R52-D237 PolarHBondContact NH2-O 3.34Å
53	L	98.6	Very high	97.8	Very high	22 Å²	22	50.9 Å²	50.9	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.7	171.2	179.7	67.8	0	0	0	108.3	N32 T51 H60 S61 H82	N32-L53 HydrophobicContact CB-CD1 3.85Å; T51-L53 PolarHBondContact O-N 3.32Å; L53-H60 HydrophobicContact CD2-CB 4.36Å; L53-H60 HydrophobicContact CG-CB 4.31Å; L53-H60 PolarHBondContact O-N 3.18Å; L53-S61 PolarHBondContact N-O 3.1Å; L53-S61 PolarHBondContact O-N 3.25Å; L53-S61 VanDerWaalsContact O-N 3.17Å; L53-H82 HydrophobicContact CD1-CB 3.97Å
54	S	97.6	Very high	97.9	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.049	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	161.8	-175.4	51.2	0	0	0	0	111.8	N32 S58 Y212	N32-S54 CarbonylContact C-O 3.59Å; N32-S54 WeakPolarHBondContact CA-O 3.37Å; N32-S54 PolarHBondContact ND2-O 3.24Å; N32-S54 VanDerWaalsContact ND2-O 3.15Å; N32-S54 PolarHBondContact O-OG 2.98Å; S54-S58 WeakPolarHBondContact CA-O 3.38Å; S54-S58 WeakPolarHBondContact CB-O 3.39Å; S54-Y212 WeakPolarHBondContact OG-CD1 3.36Å
55	E	97.3	Very high	97.8	Very high	92 Å²	92	48.5 Å²	48.5	43%	0.43	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	128.4	168.8	-172.3	179.8	171.9	0	0	108.9	A30 Y57 S58 H60	A30-E55 HydrophobicContact CB-CG 4.49Å; E55-Y57 PolarHBondContact O-N 2.89Å; E55-Y57 VanDerWaalsContact O-N 3.14Å; E55-S58 PolarHBondContact N-O 3.08Å; E55-S58 PolarHBondContact O-N 3.26Å; E55-H60 WeakPolarHBondContact CB-NE2 3.43Å; E55-H60 IonicContact OE2-CD2 2.71Å; E55-H60 IonicContact OE2-CE1 2.79Å; E55-H60 IonicContact OE2-NE2 3.67Å; E55-H60 PolarHBondContact OE2-NE2 2.94Å
56	G	94.6	Very high	97.8	Very high	51 Å²	51	49 Å²	49	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-120.2	-171	0	0	0	0	0	110.8
57	Y	95.8	Very high	97.8	Very high	241 Å²	241	49.6 Å²	49.6	95%	0.945	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	12.6	179.2	-57.5	-49.1	0	0	0	114	E55	E55-Y57 PolarHBondContact O-N 2.89Å; E55-Y57 VanDerWaalsContact O-N 3.14Å
58	S	96.7	Very high	97.7	Very high	77 Å²	77	51.8 Å²	51.8	54%	0.538	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.6	178.9	-63.6	0	0	0	0	111.4	S54 E55	S54-S58 WeakPolarHBondContact CA-O 3.38Å; S54-S58 WeakPolarHBondContact CB-O 3.39Å; E55-S58 PolarHBondContact N-O 3.08Å; E55-S58 PolarHBondContact O-N 3.26Å
59	I	98.1	Very high	97.7	Very high	67 Å²	67	57 Å²	57	34%	0.344	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	115.8	171.3	-60.9	174.9	0	0	0	107.8	R62	I59-R62 HydrophobicContact CG2-CG 3.92Å
60	H	97.8	Very high	97.6	Very high	110 Å²	110	58.1 Å²	58.1	51%	0.509	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-45.1	177.4	-73.5	-55.9	0	0	0	111.7	L53 E55	L53-H60 HydrophobicContact CD2-CB 4.36Å; L53-H60 HydrophobicContact CG-CB 4.31Å; L53-H60 PolarHBondContact O-N 3.18Å; E55-H60 WeakPolarHBondContact CB-NE2 3.43Å; E55-H60 IonicContact OE2-CD2 2.71Å; E55-H60 IonicContact OE2-CE1 2.79Å; E55-H60 IonicContact OE2-NE2 3.67Å; E55-H60 PolarHBondContact OE2-NE2 2.94Å
61	S	98	Very high	97.5	Very high	46 Å²	46	59 Å²	59	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	147.8	176.8	-177.9	0	0	0	0	110.7	L53 D63	L53-S61 PolarHBondContact N-O 3.1Å; L53-S61 PolarHBondContact O-N 3.25Å; L53-S61 VanDerWaalsContact O-N 3.17Å; S61-D63 PolarHBondContact OG-N 2.79Å; S61-D63 VanDerWaalsContact OG-N 3.16Å; S61-D63 PolarHBondContact OG-O 2.94Å
62	R	98.3	Very high	97.4	Very high	123 Å²	123	64 Å²	64	46%	0.464	33%	0.326	S	S	.	.	S	Bend	trans	-97.9	-7.2	173.9	-62.8	-174.2	176.4	-152.8	-9.4	112.7	T51 I59 D215 K236	T51-R62 WeakPolarHBondContact CB-O 3.44Å; T51-R62 PolarHBondContact OG1-O 3.05Å; I59-R62 HydrophobicContact CG2-CG 3.92Å; R62-D215 HydrophobicContact CB-CB 3.97Å; R62-D215 WeakPolarHBondContact CD-OD1 3.36Å; R62-D215 WeakPolarHBondContact CG-OD2 3.28Å; R62-D215 IonicContact NE-OD1 4Å; R62-D215 WeakPolarHBondContact O-CB 3.47Å; R62-K236 PolarHBondContact NH1-O 3.36Å; R62-K236 PolarHBondContact NH2-O 3.23Å
63	D	97.9	Very high	97.3	Very high	110 Å²	110	65.7 Å²	65.7	59%	0.588	34%	0.338	S	S	*	.			trans	-132.7	82.4	-179.4	-168.8	15	0	0	0	110.5	S61	S61-D63 PolarHBondContact OG-N 2.79Å; S61-D63 VanDerWaalsContact OG-N 3.16Å; S61-D63 PolarHBondContact OG-O 2.94Å
64	S	98.1	Very high	97.3	Very high	19 Å²	19	64.6 Å²	64.6	13%	0.133	33%	0.333	C	S	.	.			trans	-139.1	87.9	174.3	-176.4	0	0	0	0	108.7	T51 K66	T51-S64 CarbonylContact C-O 3.51Å; T51-S64 WeakPolarHBondContact CA-O 3.44Å; T51-S64 WeakPolarHBondContact O-CA 3.16Å; T51-S64 PolarHBondContact O-N 2.83Å; S64-K66 WeakPolarHBondContact O-CD 3.39Å; S64-K66 VanDerWaalsContact O-CE 3.24Å; S64-K66 WeakPolarHBondContact O-CE 3.11Å; S64-K66 PolarHBondContact O-NZ 3.26Å
65	P	97	Very high	97.3	Very high	38 Å²	38	64.4 Å²	64.4	25%	0.247	33%	0.331	C	S	.	.			trans	-66.8	145	179.9	27.5	-34.2	0	0	0	111.1	T51 R218	T51-P65 HydrophobicContact CG2-CB 4.5Å; P65-R218 HydrophobicContact CB-CB 4.34Å; P65-R218 HydrophobicContact CB-CG 4.42Å
66	K	98.2	Very high	97.4	Very high	9 Å²	9	60 Å²	60	4%	0.039	31%	0.311	C	S	.	.			trans	-105	-1.9	179.9	-69.3	85.8	-177.4	169.7	0	112.9	V36 S49 D50 T51 R52 S64 Y68 G77 C78	V36-K66 HydrophobicContact CG2-CB 4.14Å; S49-K66 PolarHBondContact OG-N 3Å; S49-K66 VanDerWaalsContact OG-N 3.15Å; D50-K66 WeakPolarHBondContact O-CD 3.4Å; D50-K66 PolarHBondContact O-NZ 3.36Å; D50-K66 IonicContact OD1-NZ 3.6Å; T51-K66 PolarHBondContact O-NZ 2.86Å; R52-K66 PolarHBondContact O-NZ 3.01Å; S64-K66 WeakPolarHBondContact O-CD 3.39Å; S64-K66 VanDerWaalsContact O-CE 3.24Å; S64-K66 WeakPolarHBondContact O-CE 3.11Å; S64-K66 PolarHBondContact O-NZ 3.26Å; K66-Y68 VanDerWaalsContact O-CD2 3.28Å; K66-Y68 WeakPolarHBondContact O-CD2 3.44Å; K66-Y68 VanDerWaalsContact O-CE2 3.28Å; K66-Y68 WeakPolarHBondContact O-CE2 3.44Å; K66-G77 VanDerWaalsContact O-CA 3.28Å; K66-G77 WeakPolarHBondContact O-CA 3.46Å; K66-C78 VanDerWaalsContact CB-O 3.31Å; K66-C78 WeakPolarHBondContact CB-O 3.43Å; K66-C78 VanDerWaalsContact CG-O 3.27Å; K66-C78 WeakPolarHBondContact CG-O 3.4Å; K66-C78 PolarHBondContact O-N 2.9Å; K66-C78 VanDerWaalsContact O-N 3.15Å
67	C	97.9	Very high	97.6	Very high	14 Å²	14	57.6 Å²	57.6	10%	0.095	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.9	172.2	-60.6	0	0	0	0	109.8	S49 V75 I76 R218 C220	S49-C67 PolarHBondContact OG-N 2.95Å; S49-C67 PolarHBondContact OG-SG 3.34Å; C67-V75 HydrophobicContact CB-CG1 4Å; C67-I76 CarbonylContact C-O 3.21Å; C67-I76 WeakPolarHBondContact CA-O 3.37Å; C67-R218 HydrophobicContact CB-CG 4.32Å; C67-C220 VanDerWaalsContact CB-SG 3.58Å
68	Y	98	Very high	97.7	Very high	47 Å²	47	46.1 Å²	46.1	18%	0.184	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.9	177	-54.3	-80.7	0	0	0	109.7	K66 L70 V75 I76 C78 T89	K66-Y68 VanDerWaalsContact O-CD2 3.28Å; K66-Y68 WeakPolarHBondContact O-CD2 3.44Å; K66-Y68 VanDerWaalsContact O-CE2 3.28Å; K66-Y68 WeakPolarHBondContact O-CE2 3.44Å; Y68-L70 PolarHBondContact O-N 3.38Å; Y68-V75 WeakPolarHBondContact O-CA 3.26Å; Y68-I76 HydrophobicContact CD2-CG2 4.4Å; Y68-I76 PolarHBondContact N-O 2.75Å; Y68-I76 PolarHBondContact O-N 3.21Å; Y68-C78 HydrophobicContact CE2-CB 4.16Å; Y68-T89 HydrophobicContact CD1-CG2 4Å; Y68-T89 HydrophobicContact CD2-CG2 4.36Å; Y68-T89 HydrophobicContact CG-CG2 3.88Å
69	K	97.8	Very high	97.7	Very high	109 Å²	109	42.6 Å²	42.6	47%	0.474	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	122.7	173.1	179.8	176.8	172.3	176.6	0	109.6	T71 D72 I227	K69-T71 WeakPolarHBondContact CE-O 3.29Å; K69-T71 VanDerWaalsContact CG-O 3.31Å; K69-T71 WeakPolarHBondContact CG-O 3.37Å; K69-D72 WeakPolarHBondContact CE-OD1 3.44Å; K69-D72 IonicContact NZ-OD1 3.89Å; K69-D72 PolarHBondContact NZ-OD1 3.14Å; K69-I227 HydrophobicContact CD-CD1 3.82Å; K69-I227 HydrophobicContact CG-CD1 3.76Å
70	L	97.1	Very high	97.7	Very high	23 Å²	23	39.5 Å²	39.5	12%	0.12	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-47.8	177.6	-66.9	-172.4	0	0	0	111.7	Y68 T74 I76 I92 L96 I112	Y68-L70 PolarHBondContact O-N 3.38Å; L70-T74 HydrophobicContact CD1-CG2 4.41Å; L70-T74 PolarHBondContact N-O 2.79Å; L70-I76 HydrophobicContact CD1-CB 3.81Å; L70-I76 HydrophobicContact CD1-CG2 3.79Å; L70-I76 HydrophobicContact CD2-CG2 3.73Å; L70-I76 HydrophobicContact CG-CB 4.15Å; L70-I76 HydrophobicContact CG-CG2 3.69Å; L70-I92 HydrophobicContact CD1-CG2 3.88Å; L70-I92 HydrophobicContact CD2-CG2 3.79Å; L70-I92 HydrophobicContact CG-CG2 4.47Å; L70-L96 HydrophobicContact CB-CD1 3.79Å; L70-L96 HydrophobicContact CD2-CD1 4.06Å; L70-L96 HydrophobicContact CG-CD1 4.34Å; L70-I112 HydrophobicContact CD1-CG2 3.9Å
71	T	96.6	Very high	97.7	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.11	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-178.8	176.3	68.5	0	0	0	0	108.9	K69 T73 T74 L96 I112 I227	K69-T71 WeakPolarHBondContact CE-O 3.29Å; K69-T71 VanDerWaalsContact CG-O 3.31Å; K69-T71 WeakPolarHBondContact CG-O 3.37Å; T71-T73 PolarHBondContact O-N 3.24Å; T71-T73 PolarHBondContact OG1-N 2.92Å; T71-T74 PolarHBondContact N-O 2.94Å; T71-T74 VanDerWaalsContact OG1-CB 3.23Å; T71-T74 WeakPolarHBondContact OG1-CB 3.37Å; T71-T74 PolarHBondContact OG1-N 2.82Å; T71-T74 VanDerWaalsContact OG1-N 3.1Å; T71-T74 PolarHBondContact OG1-OG1 2.88Å; T71-L96 HydrophobicContact CG2-CD2 4.4Å; T71-I112 HydrophobicContact CG2-CD1 3.98Å; T71-I227 WeakPolarHBondContact O-CD1 3.26Å
72	D	95.6	Very high	97.7	Very high	106 Å²	106	36.2 Å²	36.2	57%	0.567	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-14	176.6	-62.1	-45.7	0	0	0	113.8	K69 I227	K69-D72 WeakPolarHBondContact CE-OD1 3.44Å; K69-D72 IonicContact NZ-OD1 3.89Å; K69-D72 PolarHBondContact NZ-OD1 3.14Å; D72-I227 WeakPolarHBondContact O-CD1 3.25Å; D72-I227 WeakPolarHBondContact O-CG1 3.46Å
73	T	96.6	Very high	97.7	Very high	50 Å²	50	31.7 Å²	31.7	31%	0.307	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	9.8	-178.8	60.9	0	0	0	0	113.1	T71 G136 L137	T71-T73 PolarHBondContact O-N 3.24Å; T71-T73 PolarHBondContact OG1-N 2.92Å; T73-G136 CarbonylContact O-C 3.57Å; T73-G136 WeakPolarHBondContact O-CA 3.37Å; T73-L137 PolarHBondContact O-N 2.91Å
74	T	98.1	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	129.4	-177.3	-54.1	0	0	0	0	111.7	L70 T71 S109 I112 I134	L70-T74 HydrophobicContact CD1-CG2 4.41Å; L70-T74 PolarHBondContact N-O 2.79Å; T71-T74 PolarHBondContact N-O 2.94Å; T71-T74 VanDerWaalsContact OG1-CB 3.23Å; T71-T74 WeakPolarHBondContact OG1-CB 3.37Å; T71-T74 PolarHBondContact OG1-N 2.82Å; T71-T74 VanDerWaalsContact OG1-N 3.1Å; T71-T74 PolarHBondContact OG1-OG1 2.88Å; T74-S109 PolarHBondContact OG1-OG 2.93Å; T74-I112 HydrophobicContact CG2-CD1 4Å; T74-I134 HydrophobicContact CG2-CG2 3.57Å
75	V	98.6	Very high	97.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.8	174.4	178.4	0	0	0	0	108.6	V47 C67 Y68 G135 C220 I222 I227	V47-V75 HydrophobicContact CB-CB 4.34Å; V47-V75 HydrophobicContact CB-CG1 4.05Å; V47-V75 HydrophobicContact CG1-CG1 4.13Å; V47-V75 HydrophobicContact CG2-CB 4.12Å; V47-V75 HydrophobicContact CG2-CG1 4.33Å; C67-V75 HydrophobicContact CB-CG1 4Å; Y68-V75 WeakPolarHBondContact O-CA 3.26Å; V75-G135 PolarHBondContact N-O 2.83Å; V75-G135 PolarHBondContact O-N 2.81Å; V75-G135 VanDerWaalsContact O-O 3.04Å; V75-C220 HydrophobicContact CG1-CB 4.4Å; V75-C220 HydrophobicContact CG2-CB 4.3Å; V75-I222 HydrophobicContact CB-CD1 3.85Å; V75-I222 HydrophobicContact CG2-CD1 3.66Å; V75-I222 HydrophobicContact CG2-CG1 3.97Å; V75-I227 HydrophobicContact CG2-CD1 3.75Å; V75-I227 HydrophobicContact CG2-CG1 4.49Å; V75-I227 HydrophobicContact CG2-CG2 4.29Å
76	I	98.6	Very high	97.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.8	171.1	-170.6	171.9	0	0	0	110	C67 Y68 L70 I92 L116 N132 I133 I134	C67-I76 CarbonylContact C-O 3.21Å; C67-I76 WeakPolarHBondContact CA-O 3.37Å; Y68-I76 HydrophobicContact CD2-CG2 4.4Å; Y68-I76 PolarHBondContact N-O 2.75Å; Y68-I76 PolarHBondContact O-N 3.21Å; L70-I76 HydrophobicContact CD1-CB 3.81Å; L70-I76 HydrophobicContact CD1-CG2 3.79Å; L70-I76 HydrophobicContact CD2-CG2 3.73Å; L70-I76 HydrophobicContact CG-CB 4.15Å; L70-I76 HydrophobicContact CG-CG2 3.69Å; I76-I92 HydrophobicContact CD1-CD1 3.74Å; I76-L116 HydrophobicContact CD1-CD2 3.92Å; I76-N132 HydrophobicContact CD1-CB 4.36Å; I76-I133 CarbonylContact C-O 3.59Å; I76-I133 WeakPolarHBondContact CA-O 3.34Å; I76-I134 HydrophobicContact CB-CG1 4.28Å; I76-I134 HydrophobicContact CD1-CG1 4.07Å; I76-I134 HydrophobicContact CG1-CG1 3.9Å
77	G	98.4	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.6	166.3	0	0	0	0	0	110.7	K66 N132 I133	K66-G77 VanDerWaalsContact O-CA 3.28Å; K66-G77 WeakPolarHBondContact O-CA 3.46Å; G77-N132 WeakPolarHBondContact O-CA 3.21Å; G77-I133 PolarHBondContact N-O 3.1Å; G77-I133 PolarHBondContact O-N 2.79Å
78	C	98.3	Very high	97.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.4	179.5	-56.8	0	0	0	0	110.9	K66 Y68 C85 V130 N132	K66-C78 VanDerWaalsContact CB-O 3.31Å; K66-C78 WeakPolarHBondContact CB-O 3.43Å; K66-C78 VanDerWaalsContact CG-O 3.27Å; K66-C78 WeakPolarHBondContact CG-O 3.4Å; K66-C78 PolarHBondContact O-N 2.9Å; K66-C78 VanDerWaalsContact O-N 3.15Å; Y68-C78 HydrophobicContact CE2-CB 4.16Å; C78-C85 HydrophobicContact CB-CB 3.97Å; C78-V130 HydrophobicContact CB-CG1 4.02Å; C78-N132 PolarHBondContact SG-OD1 3.21Å
79	S	97.6	Very high	97.8	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	168.5	173	63.2	0	0	0	0	112	V130 Y131 G163	S79-V130 CarbonylContact O-C 3.6Å; S79-V130 WeakPolarHBondContact O-CA 3.48Å; S79-V130 WeakPolarHBondContact O-CG1 3.45Å; S79-Y131 PolarHBondContact N-O 3.36Å; S79-Y131 PolarHBondContact O-N 3.38Å; S79-G163 VanDerWaalsContact OG-CA 3.3Å; S79-G163 WeakPolarHBondContact OG-CA 3.46Å; S79-G163 PolarHBondContact OG-N 2.76Å
80	G	97	Very high	97.8	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.6	-128.6	-175.8	0	0	0	0	0	112	N32	N32-G80 WeakPolarHBondContact CB-O 3.35Å; N32-G80 PolarHBondContact N-O 2.71Å
81	F	98.3	Very high	97.8	Very high	45 Å²	45	33 Å²	33	20%	0.197	18%	0.178	C	C	.	.			trans	-79.1	120.1	176.3	179	-130.7	0	0	0	111.2	Y29 A30 N32 G83 D84 C85 Y129	Y29-F81 HydrophobicContact CD1-CD1 4.2Å; A30-F81 HydrophobicContact CB-CD2 4.33Å; A30-F81 HydrophobicContact CB-CE2 4.3Å; A30-F81 WeakPolarHBondContact O-CB 3.48Å; A30-F81 WeakPolarHBondContact O-CD2 3.35Å; N32-F81 WeakPolarHBondContact OD1-CD2 3.44Å; F81-G83 PolarHBondContact O-N 3.36Å; F81-D84 HydrophobicContact CD1-CB 3.87Å; F81-D84 VanDerWaalsContact CD1-CG 3.48Å; F81-D84 PolarHBondContact O-N 3.45Å; F81-C85 PolarHBondContact O-N 2.99Å; F81-C85 VanDerWaalsContact O-N 3.12Å; F81-C85 PolarHBondContact O-SG 2.94Å; F81-Y129 HydrophobicContact CB-CD1 3.9Å; F81-Y129 HydrophobicContact CB-CG 4.45Å; F81-Y129 PolarHBondContact N-O 3.42Å
82	H	98.3	Very high	97.9	Very high	42 Å²	42	32.1 Å²	32.1	19%	0.194	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-35	-170.8	-171.5	65	0	0	0	113	N32 L53 D84 C85 L86	N32-H82 HydrophobicContact CB-CB 4.15Å; N32-H82 WeakPolarHBondContact OD1-CB 3.42Å; N32-H82 PolarHBondContact OD1-N 3.01Å; L53-H82 HydrophobicContact CD1-CB 3.97Å; H82-D84 VanDerWaalsContact C-N 3.32Å; H82-D84 PolarHBondContact O-N 2.93Å; H82-C85 WeakPolarHBondContact O-CB 3.42Å; H82-C85 PolarHBondContact O-N 3.49Å; H82-L86 WeakPolarHBondContact O-CG 3.21Å; H82-L86 PolarHBondContact O-N 3.3Å
83	G	97.9	Very high	98	Very high	29 Å²	29	30.1 Å²	30.1	30%	0.299	16%	0.162	S	C	.	.	H	α-helix	trans	-60.5	-41.2	177.5	0	0	0	0	0	112.8	F81 T87	F81-G83 PolarHBondContact O-N 3.36Å; G83-T87 PolarHBondContact O-N 2.96Å; G83-T87 PolarHBondContact O-OG1 2.93Å
84	D	98.1	Very high	98.1	Very high	21 Å²	21	30 Å²	30	11%	0.112	17%	0.166	C	C	.	.	H	α-helix	trans	-70.8	-38.1	175	-77.2	-14.1	0	0	0	111.8	F81 H82 L86 T87 L88 Y128 Y129 V130	F81-D84 HydrophobicContact CD1-CB 3.87Å; F81-D84 VanDerWaalsContact CD1-CG 3.48Å; F81-D84 PolarHBondContact O-N 3.45Å; H82-D84 VanDerWaalsContact C-N 3.32Å; H82-D84 PolarHBondContact O-N 2.93Å; D84-L86 PolarHBondContact O-N 3.41Å; D84-T87 PolarHBondContact O-N 2.79Å; D84-L88 VanDerWaalsContact O-CB 3.23Å; D84-L88 WeakPolarHBondContact O-CB 3.26Å; D84-L88 PolarHBondContact O-N 2.85Å; D84-Y128 HydrophobicContact CB-CD1 3.9Å; D84-Y128 WeakPolarHBondContact OD2-CA 3.3Å; D84-Y129 PolarHBondContact OD2-N 3.41Å; D84-V130 HydrophobicContact CB-CG2 3.37Å
85	C	98	Very high	98.1	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-56	-49.5	175.7	-64.4	0	0	0	0	111.2	C78 F81 H82 T87 L88 T89	C78-C85 HydrophobicContact CB-CB 3.97Å; F81-C85 PolarHBondContact O-N 2.99Å; F81-C85 VanDerWaalsContact O-N 3.12Å; F81-C85 PolarHBondContact O-SG 2.94Å; H82-C85 WeakPolarHBondContact O-CB 3.42Å; H82-C85 PolarHBondContact O-N 3.49Å; C85-T87 VanDerWaalsContact C-N 3.33Å; C85-T87 PolarHBondContact O-N 3.41Å; C85-L88 PolarHBondContact O-N 3.18Å; C85-T89 WeakPolarHBondContact O-CB 3.27Å; C85-T89 PolarHBondContact O-N 3.26Å; C85-T89 PolarHBondContact O-OG1 3.45Å
86	L	98	Very high	98.1	Very high	76 Å²	76	36.2 Å²	36.2	40%	0.398	19%	0.191	S	C	.	.	H	α-helix	trans	-62.2	-41.1	178.8	-66.1	177.1	0	0	0	112.4	H82 D84 K90	H82-L86 WeakPolarHBondContact O-CG 3.21Å; H82-L86 PolarHBondContact O-N 3.3Å; D84-L86 PolarHBondContact O-N 3.41Å; L86-K90 WeakPolarHBondContact O-CG 3.48Å; L86-K90 PolarHBondContact O-N 3.24Å
87	T	98.4	Very high	98	Very high	66 Å²	66	41.5 Å²	41.5	41%	0.405	21%	0.214	S	C	.	.	H	α-helix	trans	-66.3	-48.3	179.9	-60.1	0	0	0	0	110.8	G83 D84 C85 K90 I91	G83-T87 PolarHBondContact O-N 2.96Å; G83-T87 PolarHBondContact O-OG1 2.93Å; D84-T87 PolarHBondContact O-N 2.79Å; C85-T87 VanDerWaalsContact C-N 3.33Å; C85-T87 PolarHBondContact O-N 3.41Å; T87-K90 PolarHBondContact O-N 3Å; T87-I91 HydrophobicContact CG2-CD1 3.87Å; T87-I91 WeakPolarHBondContact O-CG1 3.41Å; T87-I91 PolarHBondContact O-N 2.91Å
88	L	98	Very high	98	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-45.2	-179	-174.6	61.3	0	0	0	111.4	D84 C85 K90 I91 I92 L116 I119 L120 Y128 V130 N132	D84-L88 VanDerWaalsContact O-CB 3.23Å; D84-L88 WeakPolarHBondContact O-CB 3.26Å; D84-L88 PolarHBondContact O-N 2.85Å; C85-L88 PolarHBondContact O-N 3.18Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 2.94Å; L88-I91 PolarHBondContact O-N 3.05Å; L88-I92 HydrophobicContact CD1-CD1 4.3Å; L88-I92 HydrophobicContact CD1-CG1 4.46Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 VanDerWaalsContact O-CG1 3.29Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 2.67Å; L88-L116 HydrophobicContact CD1-CD1 3.92Å; L88-L116 HydrophobicContact CD2-CD1 4.2Å; L88-L116 HydrophobicContact CG-CD1 4.33Å; L88-I119 HydrophobicContact CD1-CG2 3.7Å; L88-L120 HydrophobicContact CD1-CD2 4.39Å; L88-L120 HydrophobicContact CD2-CD2 3.98Å; L88-Y128 HydrophobicContact CD1-CE2 4.47Å; L88-V130 HydrophobicContact CD2-CG1 4.31Å; L88-N132 WeakPolarHBondContact CD2-OD1 3.44Å
89	T	97.7	Very high	98	Very high	23 Å²	23	50.5 Å²	50.5	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-57.2	-43.5	176.7	-61.6	0	0	0	0	111.9	Y68 C85 I92 D93	Y68-T89 HydrophobicContact CD1-CG2 4Å; Y68-T89 HydrophobicContact CD2-CG2 4.36Å; Y68-T89 HydrophobicContact CG-CG2 3.88Å; C85-T89 WeakPolarHBondContact O-CB 3.27Å; C85-T89 PolarHBondContact O-N 3.26Å; C85-T89 PolarHBondContact O-OG1 3.45Å; T89-I92 PolarHBondContact O-N 3.3Å; T89-D93 WeakPolarHBondContact O-CB 3.33Å; T89-D93 PolarHBondContact O-N 3.07Å
90	K	98.3	Very high	98	Very high	153 Å²	153	56 Å²	56	67%	0.665	28%	0.278	S	S	*	.	H	α-helix	trans	-66.5	-39.7	177.3	-71.8	174.9	-179.9	178.9	0	112.8	L86 T87 L88 D93 A94	L86-K90 WeakPolarHBondContact O-CG 3.48Å; L86-K90 PolarHBondContact O-N 3.24Å; T87-K90 PolarHBondContact O-N 3Å; L88-K90 VanDerWaalsContact C-N 3.31Å; L88-K90 PolarHBondContact O-N 2.94Å; K90-D93 PolarHBondContact O-N 3.28Å; K90-A94 WeakPolarHBondContact O-CB 3.44Å; K90-A94 PolarHBondContact O-N 3.48Å
91	I	98.4	Very high	98	Very high	54 Å²	54	63.1 Å²	63.1	28%	0.277	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-43.4	177	-69.3	168.3	0	0	0	110.6	T87 L88 R95 I119	T87-I91 HydrophobicContact CG2-CD1 3.87Å; T87-I91 WeakPolarHBondContact O-CG1 3.41Å; T87-I91 PolarHBondContact O-N 2.91Å; L88-I91 PolarHBondContact O-N 3.05Å; I91-R95 PolarHBondContact O-N 2.98Å; I91-R95 VanDerWaalsContact O-N 3.08Å; I91-I119 HydrophobicContact CG2-CD1 4.27Å; I91-I119 HydrophobicContact CG2-CG2 4.23Å
92	I	98.2	Very high	98	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.8	-50.2	177.7	-65.4	165.1	0	0	0	109.9	L70 I76 L88 T89 A94 R95 L96 M115 L116 I119	L70-I92 HydrophobicContact CD1-CG2 3.88Å; L70-I92 HydrophobicContact CD2-CG2 3.79Å; L70-I92 HydrophobicContact CG-CG2 4.47Å; I76-I92 HydrophobicContact CD1-CD1 3.74Å; L88-I92 HydrophobicContact CD1-CD1 4.3Å; L88-I92 HydrophobicContact CD1-CG1 4.46Å; L88-I92 HydrophobicContact CG-CD1 3.94Å; L88-I92 VanDerWaalsContact O-CG1 3.29Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 2.67Å; T89-I92 PolarHBondContact O-N 3.3Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.11Å; I92-R95 PolarHBondContact O-N 2.95Å; I92-R95 VanDerWaalsContact O-N 3.1Å; I92-L96 HydrophobicContact CG2-CD1 3.9Å; I92-L96 HydrophobicContact CG2-CG 4.2Å; I92-L96 VanDerWaalsContact O-CG 3.32Å; I92-L96 WeakPolarHBondContact O-CG 3.49Å; I92-L96 PolarHBondContact O-N 2.79Å; I92-M115 HydrophobicContact CG2-CE 4.11Å; I92-L116 HydrophobicContact CD1-CD1 3.86Å; I92-L116 HydrophobicContact CG1-CD1 4.35Å; I92-I119 HydrophobicContact CG1-CD1 4.41Å
93	D	97.8	Very high	98	Very high	64 Å²	64	67.2 Å²	67.2	34%	0.342	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-43.5	178.9	177.9	53.4	0	0	0	112.5	T89 K90 R95 L96 K97	T89-D93 WeakPolarHBondContact O-CB 3.33Å; T89-D93 PolarHBondContact O-N 3.07Å; K90-D93 PolarHBondContact O-N 3.28Å; D93-R95 PolarHBondContact O-N 3.36Å; D93-L96 PolarHBondContact O-N 3.36Å; D93-K97 WeakPolarHBondContact O-CG 3.38Å; D93-K97 PolarHBondContact O-N 3.39Å; D93-K97 VanDerWaalsContact O-N 3.11Å; D93-K97 VanDerWaalsContact OD1-CE 3.27Å; D93-K97 WeakPolarHBondContact OD1-CE 3.32Å; D93-K97 IonicContact OD1-NZ 2.69Å; D93-K97 PolarHBondContact OD1-NZ 3.04Å; D93-K97 WeakPolarHBondContact OD2-CE 3.28Å; D93-K97 IonicContact OD2-NZ 2.97Å; D93-K97 PolarHBondContact OD2-NZ 3.33Å
94	A	98.3	Very high	97.9	Very high	47 Å²	47	73.2 Å²	73.2	39%	0.388	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-46.2	175	0	0	0	0	0	111.9	K90 I92 L96 K97 M98	K90-A94 WeakPolarHBondContact O-CB 3.44Å; K90-A94 PolarHBondContact O-N 3.48Å; I92-A94 VanDerWaalsContact C-N 3.32Å; I92-A94 PolarHBondContact O-N 3.11Å; A94-L96 PolarHBondContact O-N 3.39Å; A94-K97 PolarHBondContact O-N 2.74Å; A94-M98 VanDerWaalsContact O-CG 3.28Å; A94-M98 WeakPolarHBondContact O-CG 3.46Å; A94-M98 PolarHBondContact O-N 3.29Å
95	R	98.1	Very high	97.8	Very high	117 Å²	117	78 Å²	78	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-67.5	-34.9	179.2	-75.3	-175.3	171.1	-128.9	1.4	113.1	I91 I92 D93 M98 Y99 M115	I91-R95 PolarHBondContact O-N 2.98Å; I91-R95 VanDerWaalsContact O-N 3.08Å; I92-R95 PolarHBondContact O-N 2.95Å; I92-R95 VanDerWaalsContact O-N 3.1Å; D93-R95 PolarHBondContact O-N 3.36Å; R95-M98 PolarHBondContact O-N 3.16Å; R95-Y99 WeakPolarHBondContact O-CB 3.43Å; R95-Y99 PolarHBondContact O-N 2.83Å; R95-M115 HydrophobicContact CB-CE 4.18Å; R95-M115 HydrophobicContact CB-SD 3.58Å; R95-M115 VanDerWaalsContact CB-SD 3.58Å; R95-M115 HydrophobicContact CG-SD 4.32Å
96	L	97.9	Very high	97.7	Very high	16 Å²	16	81.7 Å²	81.7	8%	0.084	41%	0.412	C	S	.	.	H	α-helix	trans	-60.4	-46.1	173.6	-71.5	170.9	0	0	0	111.1	L70 T71 I92 D93 A94 Y99 K100 M107 I112	L70-L96 HydrophobicContact CB-CD1 3.79Å; L70-L96 HydrophobicContact CD2-CD1 4.06Å; L70-L96 HydrophobicContact CG-CD1 4.34Å; T71-L96 HydrophobicContact CG2-CD2 4.4Å; I92-L96 HydrophobicContact CG2-CD1 3.9Å; I92-L96 HydrophobicContact CG2-CG 4.2Å; I92-L96 VanDerWaalsContact O-CG 3.32Å; I92-L96 WeakPolarHBondContact O-CG 3.49Å; I92-L96 PolarHBondContact O-N 2.79Å; D93-L96 PolarHBondContact O-N 3.36Å; A94-L96 PolarHBondContact O-N 3.39Å; L96-Y99 PolarHBondContact O-N 2.91Å; L96-K100 WeakPolarHBondContact O-CB 3.33Å; L96-K100 PolarHBondContact O-N 2.87Å; L96-M107 HydrophobicContact CD2-CB 3.99Å; L96-M107 HydrophobicContact CD2-CG 4.1Å; L96-M107 HydrophobicContact CD2-SD 3.75Å; L96-I112 HydrophobicContact CD2-CD1 3.75Å; L96-I112 HydrophobicContact CD2-CG1 3.82Å
97	K	97.9	Very high	97.7	Very high	110 Å²	110	78.7 Å²	78.7	48%	0.478	40%	0.396	S	S	.	.	H	α-helix	trans	-63.6	-46.1	176.8	-70.4	166.9	-179.9	164.6	0	111.6	D93 A94 Y99 K100 H101	D93-K97 WeakPolarHBondContact O-CG 3.38Å; D93-K97 PolarHBondContact O-N 3.39Å; D93-K97 VanDerWaalsContact O-N 3.11Å; D93-K97 VanDerWaalsContact OD1-CE 3.27Å; D93-K97 WeakPolarHBondContact OD1-CE 3.32Å; D93-K97 IonicContact OD1-NZ 2.69Å; D93-K97 PolarHBondContact OD1-NZ 3.04Å; D93-K97 WeakPolarHBondContact OD2-CE 3.28Å; D93-K97 IonicContact OD2-NZ 2.97Å; D93-K97 PolarHBondContact OD2-NZ 3.33Å; A94-K97 PolarHBondContact O-N 2.74Å; K97-Y99 VanDerWaalsContact C-N 3.35Å; K97-Y99 PolarHBondContact O-N 3.24Å; K97-K100 PolarHBondContact O-N 3.08Å; K97-H101 PolarHBondContact O-CD2 2.85Å; K97-H101 PolarHBondContact O-N 2.98Å
98	M	98.2	Very high	97.6	Very high	123 Å²	123	78 Å²	78	61%	0.606	39%	0.391	S	S	*	.	H	α-helix	trans	-58.1	-46.4	175.5	-69.5	171.8	70.5	0	0	111.7	A94 R95 K100 H101 S102	A94-M98 VanDerWaalsContact O-CG 3.28Å; A94-M98 WeakPolarHBondContact O-CG 3.46Å; A94-M98 PolarHBondContact O-N 3.29Å; R95-M98 PolarHBondContact O-N 3.16Å; M98-K100 VanDerWaalsContact C-N 3.33Å; M98-K100 PolarHBondContact O-N 2.74Å; M98-H101 PolarHBondContact O-N 2.73Å; M98-S102 PolarHBondContact O-N 3.45Å; M98-S102 PolarHBondContact O-OG 3.13Å
99	Y	98.1	Very high	97.5	Very high	66 Å²	66	78 Å²	78	26%	0.259	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-43.9	177.7	-176.2	-84.7	0	0	0	111.7	R95 L96 K97 H101 S102 N103 K105 M107	R95-Y99 WeakPolarHBondContact O-CB 3.43Å; R95-Y99 PolarHBondContact O-N 2.83Å; L96-Y99 PolarHBondContact O-N 2.91Å; K97-Y99 VanDerWaalsContact C-N 3.35Å; K97-Y99 PolarHBondContact O-N 3.24Å; Y99-H101 VanDerWaalsContact C-N 3.35Å; Y99-H101 PolarHBondContact O-N 2.95Å; Y99-S102 PolarHBondContact O-N 3.15Å; Y99-N103 HydrophobicContact CD1-CB 4.38Å; Y99-N103 WeakPolarHBondContact CD2-ND2 3.39Å; Y99-N103 HydrophobicContact CE1-CB 4.04Å; Y99-N103 WeakPolarHBondContact CE2-ND2 3.24Å; Y99-N103 WeakPolarHBondContact O-CB 3.45Å; Y99-N103 PolarHBondContact O-N 3.32Å; Y99-N103 PolarHBondContact O-ND2 2.8Å; Y99-K105 WeakPolarHBondContact CD1-O 3.06Å; Y99-K105 HydrophobicContact CE1-CG 4.08Å; Y99-K105 WeakPolarHBondContact OH-CE 3.28Å; Y99-M107 HydrophobicContact CD1-CB 4.35Å; Y99-M107 HydrophobicContact CD1-CG 3.18Å; Y99-M107 HydrophobicContact CD1-SD 4.21Å; Y99-M107 HydrophobicContact CD2-CE 4.32Å; Y99-M107 HydrophobicContact CD2-CG 3.87Å; Y99-M107 HydrophobicContact CD2-SD 3.98Å; Y99-M107 HydrophobicContact CE1-CB 4.46Å; Y99-M107 HydrophobicContact CE1-CG 3.58Å; Y99-M107 HydrophobicContact CE2-CG 4.22Å; Y99-M107 HydrophobicContact CG-CG 3.33Å; Y99-M107 HydrophobicContact CG-SD 3.72Å
100	K	97.3	Very high	97.5	Very high	118 Å²	118	78.2 Å²	78.2	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-42.6	178	-173.5	176.4	-179	176.2	0	111.9	L96 K97 M98 N104 K105 T106	L96-K100 WeakPolarHBondContact O-CB 3.33Å; L96-K100 PolarHBondContact O-N 2.87Å; K97-K100 PolarHBondContact O-N 3.08Å; M98-K100 VanDerWaalsContact C-N 3.33Å; M98-K100 PolarHBondContact O-N 2.74Å; K100-N104 VanDerWaalsContact O-CA 3.26Å; K100-N104 WeakPolarHBondContact O-CA 3.49Å; K100-N104 PolarHBondContact O-N 3.32Å; K100-K105 WeakPolarHBondContact CA-O 3.31Å; K100-T106 HydrophobicContact CD-CG2 4.42Å
101	H	97.9	Very high	97.5	Very high	152 Å²	152	72.4 Å²	72.4	70%	0.704	38%	0.379	S	S	*	.	H	α-helix	trans	-68.2	-38.2	177.5	-71.4	-54.9	0	0	0	113	K97 M98 Y99	K97-H101 PolarHBondContact O-CD2 2.85Å; K97-H101 PolarHBondContact O-N 2.98Å; M98-H101 PolarHBondContact O-N 2.73Å; Y99-H101 VanDerWaalsContact C-N 3.35Å; Y99-H101 PolarHBondContact O-N 2.95Å
102	S	97.9	Very high	97.5	Very high	98 Å²	98	69.9 Å²	69.9	69%	0.685	37%	0.366	S	S	*	.	H	α-helix	trans	-76.4	-31.6	-179.9	-60.9	0	0	0	0	113.7	M98 Y99	M98-S102 PolarHBondContact O-N 3.45Å; M98-S102 PolarHBondContact O-OG 3.13Å; Y99-S102 PolarHBondContact O-N 3.15Å
103	N	97.1	Very high	97.5	Very high	76 Å²	76	69.9 Å²	69.9	41%	0.406	37%	0.366	S	S	.	.	H	α-helix	trans	-114.9	-2.2	-170.9	-59.2	-83.3	0	0	0	114.3	Y99 K105	Y99-N103 HydrophobicContact CD1-CB 4.38Å; Y99-N103 WeakPolarHBondContact CD2-ND2 3.39Å; Y99-N103 HydrophobicContact CE1-CB 4.04Å; Y99-N103 WeakPolarHBondContact CE2-ND2 3.24Å; Y99-N103 WeakPolarHBondContact O-CB 3.45Å; Y99-N103 PolarHBondContact O-N 3.32Å; Y99-N103 PolarHBondContact O-ND2 2.8Å; N103-K105 HydrophobicContact CB-CG 4.06Å; N103-K105 PolarHBondContact O-N 2.78Å
104	N	96.9	Very high	97.5	Very high	154 Å²	154	68.8 Å²	68.8	82%	0.824	37%	0.366	S	S	*	.	S	Bend	trans	53.8	21.9	-175.4	-62.5	-52	0	0	0	114.8	K100	K100-N104 VanDerWaalsContact O-CA 3.26Å; K100-N104 WeakPolarHBondContact O-CA 3.49Å; K100-N104 PolarHBondContact O-N 3.32Å
105	K	95.7	Very high	97.5	Very high	121 Å²	121	67.7 Å²	67.7	53%	0.526	35%	0.353	S	S	.	.	S	Bend	trans	-144.3	155.9	178.6	68.8	179.2	-176.3	171.5	0	111.4	Y99 K100 N103	Y99-K105 WeakPolarHBondContact CD1-O 3.06Å; Y99-K105 HydrophobicContact CE1-CG 4.08Å; Y99-K105 WeakPolarHBondContact OH-CE 3.28Å; K100-K105 WeakPolarHBondContact CA-O 3.31Å; N103-K105 HydrophobicContact CB-CG 4.06Å; N103-K105 PolarHBondContact O-N 2.78Å
106	T	95.9	Very high	97.5	Very high	82 Å²	82	62.1 Å²	62.1	50%	0.503	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-76.9	152	174.5	48.2	0	0	0	0	111.2	K100	K100-T106 HydrophobicContact CD-CG2 4.42Å
107	M	96.9	Very high	97.5	Very high	13 Å²	13	62.6 Å²	62.6	6%	0.064	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-71.3	142.8	173.4	-65.8	-174.6	72.1	0	0	110.6	L96 Y99 A111 I112 M115	L96-M107 HydrophobicContact CD2-CB 3.99Å; L96-M107 HydrophobicContact CD2-CG 4.1Å; L96-M107 HydrophobicContact CD2-SD 3.75Å; Y99-M107 HydrophobicContact CD1-CB 4.35Å; Y99-M107 HydrophobicContact CD1-CG 3.18Å; Y99-M107 HydrophobicContact CD1-SD 4.21Å; Y99-M107 HydrophobicContact CD2-CE 4.32Å; Y99-M107 HydrophobicContact CD2-CG 3.87Å; Y99-M107 HydrophobicContact CD2-SD 3.98Å; Y99-M107 HydrophobicContact CE1-CB 4.46Å; Y99-M107 HydrophobicContact CE1-CG 3.58Å; Y99-M107 HydrophobicContact CE2-CG 4.22Å; Y99-M107 HydrophobicContact CG-CG 3.33Å; Y99-M107 HydrophobicContact CG-SD 3.72Å; M107-A111 HydrophobicContact CB-CB 4.42Å; M107-A111 HydrophobicContact CE-CB 3.83Å; M107-A111 WeakPolarHBondContact CE-O 3.48Å; M107-I112 HydrophobicContact CB-CD1 4.17Å; M107-I112 HydrophobicContact CB-CG1 3.66Å; M107-I112 HydrophobicContact CE-CG1 4.43Å; M107-I112 HydrophobicContact SD-CG1 4.46Å; M107-M115 HydrophobicContact CE-CB 4.06Å; M107-M115 HydrophobicContact CE-CE 4.41Å; M107-M115 HydrophobicContact CE-SD 3.96Å; M107-M115 HydrophobicContact SD-CE 4.28Å; M107-M115 HydrophobicContact SD-SD 4Å
108	T	97.1	Very high	97.6	Very high	51 Å²	51	61.2 Å²	61.2	31%	0.313	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-78.1	158.4	170.5	63	0	0	0	0	110.4	G110 A111 I112 E139	T108-G110 PolarHBondContact O-N 3.02Å; T108-A111 PolarHBondContact O-N 3.15Å; T108-A111 WeakPolarHBondContact OG1-CB 3.48Å; T108-A111 PolarHBondContact OG1-N 2.83Å; T108-I112 WeakPolarHBondContact O-CG1 3.5Å; T108-I112 PolarHBondContact O-N 2.92Å; T108-E139 HydrophobicContact CG2-CG 3.71Å; T108-E139 WeakPolarHBondContact CG2-OE1 3.16Å
109	S	96.4	Very high	97.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.007	31%	0.31	C	S	.	.	H	α-helix	trans	-56.9	-38.8	179.4	-51.7	0	0	0	0	112.4	T74 I112 A113 L137	T74-S109 PolarHBondContact OG1-OG 2.93Å; S109-I112 PolarHBondContact O-N 2.94Å; S109-A113 PolarHBondContact O-N 2.84Å; S109-L137 PolarHBondContact OG-O 3.22Å; S109-L137 VanDerWaalsContact OG-O 3.08Å
110	G	97.1	Very high	97.6	Very high	27 Å²	27	52.4 Å²	52.4	28%	0.278	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-39.1	174.9	0	0	0	0	0	113.6	T108 A113 A114	T108-G110 PolarHBondContact O-N 3.02Å; G110-A113 PolarHBondContact O-N 2.89Å; G110-A114 PolarHBondContact O-N 2.8Å
111	A	97.9	Very high	97.6	Very high	31 Å²	31	53.7 Å²	53.7	26%	0.256	30%	0.3	S	S	.	.	H	α-helix	trans	-67.3	-37.9	175.8	0	0	0	0	0	112	M107 T108 A113 A114 M115	M107-A111 HydrophobicContact CB-CB 4.42Å; M107-A111 HydrophobicContact CE-CB 3.83Å; M107-A111 WeakPolarHBondContact CE-O 3.48Å; T108-A111 PolarHBondContact O-N 3.15Å; T108-A111 WeakPolarHBondContact OG1-CB 3.48Å; T108-A111 PolarHBondContact OG1-N 2.83Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A111-A114 PolarHBondContact O-N 3.37Å; A111-M115 WeakPolarHBondContact O-CB 3.44Å; A111-M115 PolarHBondContact O-N 2.97Å
112	I	98.3	Very high	97.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-42.1	174.8	-61.5	172.2	0	0	0	109.9	L70 T71 T74 L96 M107 T108 S109 M115 L116 I134	L70-I112 HydrophobicContact CD1-CG2 3.9Å; T71-I112 HydrophobicContact CG2-CD1 3.98Å; T74-I112 HydrophobicContact CG2-CD1 4Å; L96-I112 HydrophobicContact CD2-CD1 3.75Å; L96-I112 HydrophobicContact CD2-CG1 3.82Å; M107-I112 HydrophobicContact CB-CD1 4.17Å; M107-I112 HydrophobicContact CB-CG1 3.66Å; M107-I112 HydrophobicContact CE-CG1 4.43Å; M107-I112 HydrophobicContact SD-CG1 4.46Å; T108-I112 WeakPolarHBondContact O-CG1 3.5Å; T108-I112 PolarHBondContact O-N 2.92Å; S109-I112 PolarHBondContact O-N 2.94Å; I112-M115 HydrophobicContact CG2-CE 4.45Å; I112-M115 PolarHBondContact O-N 2.79Å; I112-L116 WeakPolarHBondContact O-CB 3.29Å; I112-L116 PolarHBondContact O-N 3.26Å; I112-I134 HydrophobicContact CG2-CD1 3.87Å
113	A	98.3	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-48.1	177.6	0	0	0	0	0	112.3	S109 G110 A111 M115 L116 S117 Y146 F148 Y154	S109-A113 PolarHBondContact O-N 2.84Å; G110-A113 PolarHBondContact O-N 2.89Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A113-M115 VanDerWaalsContact C-N 3.35Å; A113-M115 PolarHBondContact O-N 2.74Å; A113-L116 PolarHBondContact O-N 2.61Å; A113-S117 PolarHBondContact O-N 3.4Å; A113-S117 VanDerWaalsContact O-N 3.08Å; A113-Y146 HydrophobicContact CB-CD1 3.9Å; A113-Y146 HydrophobicContact CB-CD2 3.93Å; A113-Y146 HydrophobicContact CB-CE1 4.28Å; A113-Y146 HydrophobicContact CB-CE2 4.32Å; A113-Y146 HydrophobicContact CB-CG 3.69Å; A113-F148 HydrophobicContact CB-CZ 3.82Å; A113-F148 WeakPolarHBondContact O-CE1 3.49Å; A113-Y154 HydrophobicContact CB-CD2 4.21Å; A113-Y154 HydrophobicContact CB-CE2 4.02Å
114	A	98.4	Very high	97.6	Very high	41 Å²	41	52.2 Å²	52.2	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-41.4	176	0	0	0	0	0	112.3	G110 A111 S117 T118	G110-A114 PolarHBondContact O-N 2.8Å; A111-A114 PolarHBondContact O-N 3.37Å; A114-S117 WeakPolarHBondContact O-CB 3.44Å; A114-S117 PolarHBondContact O-N 2.97Å; A114-T118 PolarHBondContact O-N 2.84Å
115	M	98.4	Very high	97.6	Very high	23 Å²	23	54.5 Å²	54.5	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-61.9	-46.1	175.3	-179.9	-174	68.5	0	0	111.4	I92 R95 M107 A111 I112 A113 S117 T118 I119	I92-M115 HydrophobicContact CG2-CE 4.11Å; R95-M115 HydrophobicContact CB-CE 4.18Å; R95-M115 HydrophobicContact CB-SD 3.58Å; R95-M115 VanDerWaalsContact CB-SD 3.58Å; R95-M115 HydrophobicContact CG-SD 4.32Å; M107-M115 HydrophobicContact CE-CB 4.06Å; M107-M115 HydrophobicContact CE-CE 4.41Å; M107-M115 HydrophobicContact CE-SD 3.96Å; M107-M115 HydrophobicContact SD-CE 4.28Å; M107-M115 HydrophobicContact SD-SD 4Å; A111-M115 WeakPolarHBondContact O-CB 3.44Å; A111-M115 PolarHBondContact O-N 2.97Å; I112-M115 HydrophobicContact CG2-CE 4.45Å; I112-M115 PolarHBondContact O-N 2.79Å; A113-M115 VanDerWaalsContact C-N 3.35Å; A113-M115 PolarHBondContact O-N 2.74Å; M115-S117 VanDerWaalsContact C-N 3.32Å; M115-S117 PolarHBondContact O-N 3.17Å; M115-T118 PolarHBondContact O-N 3.47Å; M115-T118 PolarHBondContact O-OG1 2.79Å; M115-I119 HydrophobicContact CE-CD1 4.3Å; M115-I119 HydrophobicContact CG-CD1 3.89Å; M115-I119 HydrophobicContact CG-CG1 4.47Å; M115-I119 WeakPolarHBondContact O-CG1 3.44Å; M115-I119 PolarHBondContact O-N 2.95Å; M115-I119 VanDerWaalsContact O-N 3.1Å; M115-I119 HydrophobicContact SD-CD1 4.4Å
116	L	98.4	Very high	97.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-41.4	-179	-179	56.8	0	0	0	111.9	I76 L88 I92 I112 A113 T118 I119 L120 N132 I134 F148	I76-L116 HydrophobicContact CD1-CD2 3.92Å; L88-L116 HydrophobicContact CD1-CD1 3.92Å; L88-L116 HydrophobicContact CD2-CD1 4.2Å; L88-L116 HydrophobicContact CG-CD1 4.33Å; I92-L116 HydrophobicContact CD1-CD1 3.86Å; I92-L116 HydrophobicContact CG1-CD1 4.35Å; I112-L116 WeakPolarHBondContact O-CB 3.29Å; I112-L116 PolarHBondContact O-N 3.26Å; A113-L116 PolarHBondContact O-N 2.61Å; L116-T118 VanDerWaalsContact C-N 3.29Å; L116-T118 PolarHBondContact O-N 3.11Å; L116-I119 PolarHBondContact O-N 2.67Å; L116-I119 VanDerWaalsContact O-N 3.09Å; L116-L120 HydrophobicContact CD1-CD1 4.17Å; L116-L120 HydrophobicContact CD1-CD2 4.44Å; L116-L120 HydrophobicContact CD1-CG 3.98Å; L116-L120 HydrophobicContact CG-CD1 3.93Å; L116-L120 HydrophobicContact CG-CG 4.24Å; L116-L120 WeakPolarHBondContact O-CG 3.22Å; L116-L120 PolarHBondContact O-N 2.67Å; L116-N132 HydrophobicContact CD2-CB 3.98Å; L116-I134 HydrophobicContact CB-CD1 4.48Å; L116-I134 HydrophobicContact CD2-CD1 3.75Å; L116-I134 HydrophobicContact CD2-CG1 4.32Å; L116-F148 HydrophobicContact CB-CE1 4.05Å; L116-F148 HydrophobicContact CB-CZ 4.22Å; L116-F148 HydrophobicContact CD2-CD1 4.17Å; L116-F148 HydrophobicContact CD2-CD2 4Å; L116-F148 HydrophobicContact CD2-CE1 4.07Å; L116-F148 HydrophobicContact CD2-CE2 3.91Å; L116-F148 HydrophobicContact CD2-CG 4.16Å; L116-F148 HydrophobicContact CD2-CZ 3.97Å; L116-F148 HydrophobicContact CG-CD1 4.22Å; L116-F148 HydrophobicContact CG-CE1 4.06Å; L116-F148 HydrophobicContact CG-CZ 4.36Å
117	S	98.4	Very high	97.7	Very high	26 Å²	26	51.5 Å²	51.5	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-51.6	-47.9	174.1	176.9	0	0	0	0	112	A113 A114 M115 I119 L120 Y121 G152	A113-S117 PolarHBondContact O-N 3.4Å; A113-S117 VanDerWaalsContact O-N 3.08Å; A114-S117 WeakPolarHBondContact O-CB 3.44Å; A114-S117 PolarHBondContact O-N 2.97Å; M115-S117 VanDerWaalsContact C-N 3.32Å; M115-S117 PolarHBondContact O-N 3.17Å; S117-I119 PolarHBondContact O-N 2.87Å; S117-L120 PolarHBondContact O-N 3.14Å; S117-Y121 WeakPolarHBondContact O-CB 3.4Å; S117-Y121 PolarHBondContact O-N 3.38Å; S117-G152 WeakPolarHBondContact CA-O 3.49Å; S117-G152 VanDerWaalsContact CB-O 3.24Å; S117-G152 WeakPolarHBondContact CB-O 3.24Å; S117-G152 PolarHBondContact OG-O 3.3Å
118	T	98.3	Very high	97.8	Very high	81 Å²	81	51.7 Å²	51.7	50%	0.497	27%	0.268	S	S	.	.	H	α-helix	trans	-67.8	-35.4	178.2	67	0	0	0	0	113.4	A114 M115 L116 S122	A114-T118 PolarHBondContact O-N 2.84Å; M115-T118 PolarHBondContact O-N 3.47Å; M115-T118 PolarHBondContact O-OG1 2.79Å; L116-T118 VanDerWaalsContact C-N 3.29Å; L116-T118 PolarHBondContact O-N 3.11Å; T118-S122 WeakPolarHBondContact O-CB 3.49Å; T118-S122 PolarHBondContact O-N 3.46Å
119	I	98.3	Very high	97.8	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-45.9	177.6	-66.1	166.4	0	0	0	110.3	L88 I91 I92 M115 L116 S117 S122 Y128	L88-I119 HydrophobicContact CD1-CG2 3.7Å; I91-I119 HydrophobicContact CG2-CD1 4.27Å; I91-I119 HydrophobicContact CG2-CG2 4.23Å; I92-I119 HydrophobicContact CG1-CD1 4.41Å; M115-I119 HydrophobicContact CE-CD1 4.3Å; M115-I119 HydrophobicContact CG-CD1 3.89Å; M115-I119 HydrophobicContact CG-CG1 4.47Å; M115-I119 WeakPolarHBondContact O-CG1 3.44Å; M115-I119 PolarHBondContact O-N 2.95Å; M115-I119 VanDerWaalsContact O-N 3.1Å; M115-I119 HydrophobicContact SD-CD1 4.4Å; L116-I119 PolarHBondContact O-N 2.67Å; L116-I119 VanDerWaalsContact O-N 3.09Å; S117-I119 PolarHBondContact O-N 2.87Å; I119-S122 WeakPolarHBondContact O-CB 3.25Å; I119-S122 PolarHBondContact O-N 3.23Å; I119-S122 PolarHBondContact O-OG 3.42Å; I119-Y128 HydrophobicContact CG2-CE2 4.44Å
120	L	98.4	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-46	178.5	-67.6	172.6	0	0	0	110.8	L88 L116 S117 S122 R123 Y128 F148	L88-L120 HydrophobicContact CD1-CD2 4.39Å; L88-L120 HydrophobicContact CD2-CD2 3.98Å; L116-L120 HydrophobicContact CD1-CD1 4.17Å; L116-L120 HydrophobicContact CD1-CD2 4.44Å; L116-L120 HydrophobicContact CD1-CG 3.98Å; L116-L120 HydrophobicContact CG-CD1 3.93Å; L116-L120 HydrophobicContact CG-CG 4.24Å; L116-L120 WeakPolarHBondContact O-CG 3.22Å; L116-L120 PolarHBondContact O-N 2.67Å; S117-L120 PolarHBondContact O-N 3.14Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 2.68Å; L120-R123 PolarHBondContact O-N 3.32Å; L120-Y128 HydrophobicContact CD2-CD2 3.88Å; L120-Y128 HydrophobicContact CD2-CG 4.45Å; L120-F148 HydrophobicContact CD1-CB 4.14Å; L120-F148 HydrophobicContact CD1-CD1 3.96Å; L120-F148 HydrophobicContact CD1-CG 4.31Å
121	Y	98.3	Very high	97.9	Very high	145 Å²	145	55.5 Å²	55.5	57%	0.569	27%	0.27	S	S	*	.	H	α-helix	trans	-67.8	-25.4	179.7	-162.6	-98.5	0	0	0	113.4	S117 R123 R124 V151	S117-Y121 WeakPolarHBondContact O-CB 3.4Å; S117-Y121 PolarHBondContact O-N 3.38Å; Y121-R123 PolarHBondContact O-N 3.07Å; Y121-R124 HydrophobicContact CD2-CB 4.47Å; Y121-R124 HydrophobicContact CE2-CB 4.41Å; Y121-R124 HydrophobicContact CE2-CG 4.09Å; Y121-R124 VanDerWaalsContact O-CB 3.28Å; Y121-R124 WeakPolarHBondContact O-CB 3.46Å; Y121-R124 PolarHBondContact O-N 3.05Å; Y121-V151 WeakPolarHBondContact CA-O 3.49Å; Y121-V151 WeakPolarHBondContact CD2-O 3.46Å; Y121-V151 PolarHBondContact N-O 3.17Å
122	S	98	Very high	97.9	Very high	89 Å²	89	54.1 Å²	54.1	62%	0.622	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.6	177.6	76.2	0	0	0	0	113.8	T118 I119 L120	T118-S122 WeakPolarHBondContact O-CB 3.49Å; T118-S122 PolarHBondContact O-N 3.46Å; I119-S122 WeakPolarHBondContact O-CB 3.25Å; I119-S122 PolarHBondContact O-N 3.23Å; I119-S122 PolarHBondContact O-OG 3.42Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 2.68Å
123	R	96.8	Very high	97.9	Very high	97 Å²	97	54.3 Å²	54.3	37%	0.366	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	28.5	176.1	-67.2	-172.7	69.9	110	-16.6	113	L120 Y121 F125 F126 P127 Y128	L120-R123 PolarHBondContact O-N 3.32Å; Y121-R123 PolarHBondContact O-N 3.07Å; R123-F125 PolarHBondContact O-N 3.11Å; R123-F126 PolarHBondContact NE-O 3.04Å; R123-F126 CarbonylContact O-C 3Å; R123-F126 PolarHBondContact O-N 3.34Å; R123-P127 WeakPolarHBondContact O-CA 3.27Å; R123-P127 VanDerWaalsContact O-N 3.07Å; R123-Y128 HydrophobicContact CB-CD2 4.47Å; R123-Y128 HydrophobicContact CB-CE2 4.31Å; R123-Y128 VanDerWaalsContact CD-CE2 3.42Å; R123-Y128 WeakPolarHBondContact CD-OH 3.39Å; R123-Y128 HydrophobicContact CG-CE2 4.04Å
124	R	96.5	Very high	98	Very high	108 Å²	108	54.3 Å²	54.3	41%	0.408	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.4	-174.3	179	58.9	-174.2	79.9	-0.6	115.4	Y121	Y121-R124 HydrophobicContact CD2-CB 4.47Å; Y121-R124 HydrophobicContact CE2-CB 4.41Å; Y121-R124 HydrophobicContact CE2-CG 4.09Å; Y121-R124 VanDerWaalsContact O-CB 3.28Å; Y121-R124 WeakPolarHBondContact O-CB 3.46Å; Y121-R124 PolarHBondContact O-N 3.05Å
125	F	96.9	Very high	98	Very high	202 Å²	202	52.3 Å²	52.3	89%	0.886	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-7.3	-178.2	-60.4	-70.1	0	0	0	114.5	R123	R123-F125 PolarHBondContact O-N 3.11Å
126	F	97.2	Very high	97.9	Very high	100 Å²	100	51.2 Å²	51.2	44%	0.439	24%	0.237	S	C	.	.	S	Bend	trans	-149.7	73.4	168.8	-176.2	-118	0	0	0	108.3	P28 Y29 R123	P28-F126 HydrophobicContact CB-CE2 4.33Å; P28-F126 HydrophobicContact CB-CZ 4.02Å; P28-F126 HydrophobicContact CG-CE2 3.96Å; P28-F126 HydrophobicContact CG-CZ 4.17Å; Y29-F126 HydrophobicContact CE1-CZ 4.38Å; Y29-F126 HydrophobicContact CE2-CE2 4.22Å; Y29-F126 AromaticContact CZ-CE2 3.8Å; Y29-F126 WeakPolarHBondContact OH-CD2 3.37Å; Y29-F126 VanDerWaalsContact OH-CE2 3.26Å; Y29-F126 WeakPolarHBondContact OH-CE2 3.38Å; R123-F126 PolarHBondContact NE-O 3.04Å; R123-F126 CarbonylContact O-C 3Å; R123-F126 PolarHBondContact O-N 3.34Å
127	P	97.3	Very high	97.9	Very high	41 Å²	41	51.8 Å²	51.8	27%	0.266	24%	0.24	S	C	.	.			trans	-69.9	159.6	-160	28.8	-35.6	0	0	0	112.1	Y29 R123	Y29-P127 PolarHBondContact OH-O 3.15Å; R123-P127 WeakPolarHBondContact O-CA 3.27Å; R123-P127 VanDerWaalsContact O-N 3.07Å
128	Y	98.2	Very high	97.8	Very high	16 Å²	16	51.9 Å²	51.9	6%	0.063	24%	0.239	C	C	.	.			trans	-65.2	145	162.8	-64.4	-73.2	0	0	0	109.7	D84 L88 I119 L120 R123 P150	D84-Y128 HydrophobicContact CB-CD1 3.9Å; D84-Y128 WeakPolarHBondContact OD2-CA 3.3Å; L88-Y128 HydrophobicContact CD1-CE2 4.47Å; I119-Y128 HydrophobicContact CG2-CE2 4.44Å; L120-Y128 HydrophobicContact CD2-CD2 3.88Å; L120-Y128 HydrophobicContact CD2-CG 4.45Å; R123-Y128 HydrophobicContact CB-CD2 4.47Å; R123-Y128 HydrophobicContact CB-CE2 4.31Å; R123-Y128 VanDerWaalsContact CD-CE2 3.42Å; R123-Y128 WeakPolarHBondContact CD-OH 3.39Å; R123-Y128 HydrophobicContact CG-CE2 4.04Å; Y128-P150 WeakPolarHBondContact O-CB 3.42Å
129	Y	98	Very high	97.6	Very high	73 Å²	73	56.1 Å²	56.1	29%	0.286	25%	0.253	S	S	.	.			trans	-100.9	66	169.8	-172.9	-128.9	0	0	0	110.6	F31 F81 D84 Y131	F31-Y129 HydrophobicContact CB-CE1 4.44Å; F31-Y129 AromaticContact CD2-CE1 3.91Å; F31-Y129 HydrophobicContact CD2-CE1 3.91Å; F81-Y129 HydrophobicContact CB-CD1 3.9Å; F81-Y129 HydrophobicContact CB-CG 4.45Å; F81-Y129 PolarHBondContact N-O 3.42Å; D84-Y129 PolarHBondContact OD2-N 3.41Å; Y129-Y131 HydrophobicContact CE2-CE2 4.12Å
130	V	97.8	Very high	97.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135	-175.2	-174.4	0	0	0	0	110.5	C78 S79 D84 L88 N132	C78-V130 HydrophobicContact CB-CG1 4.02Å; S79-V130 CarbonylContact O-C 3.6Å; S79-V130 WeakPolarHBondContact O-CA 3.48Å; S79-V130 WeakPolarHBondContact O-CG1 3.45Å; D84-V130 HydrophobicContact CB-CG2 3.37Å; L88-V130 HydrophobicContact CD2-CG1 4.31Å; V130-N132 WeakPolarHBondContact CG1-OD1 3.49Å
131	Y	97.9	Very high	97.2	Very high	87 Å²	87	64.3 Å²	64.3	34%	0.341	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120	167.2	-61.5	-82.5	0	0	0	108.2	S79 Y129 P150	S79-Y131 PolarHBondContact N-O 3.36Å; S79-Y131 PolarHBondContact O-N 3.38Å; Y129-Y131 HydrophobicContact CE2-CE2 4.12Å; Y131-P150 HydrophobicContact CD1-CG 4.16Å; Y131-P150 HydrophobicContact CE1-CG 3.76Å
132	N	98.4	Very high	97.2	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.3	-176.1	-60.9	-78.7	0	0	0	110.3	I76 G77 C78 L88 L116 V130 F148	I76-N132 HydrophobicContact CD1-CB 4.36Å; G77-N132 WeakPolarHBondContact O-CA 3.21Å; C78-N132 PolarHBondContact SG-OD1 3.21Å; L88-N132 WeakPolarHBondContact CD2-OD1 3.44Å; L116-N132 HydrophobicContact CD2-CB 3.98Å; V130-N132 WeakPolarHBondContact CG1-OD1 3.49Å; N132-F148 HydrophobicContact CB-CB 4.09Å; N132-F148 HydrophobicContact CB-CD2 4.1Å; N132-F148 HydrophobicContact CB-CG 4.31Å; N132-F148 PolarHBondContact O-N 3.41Å
133	I	98.6	Very high	97.2	Very high	5 Å²	5	57.4 Å²	57.4	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.2	169.6	-62	174.3	0	0	0	107.2	V36 A38 I76 G77 V145 Y146 K160	V36-I133 HydrophobicContact CB-CD1 4.35Å; V36-I133 HydrophobicContact CG1-CB 4.1Å; V36-I133 HydrophobicContact CG1-CD1 4.03Å; V36-I133 HydrophobicContact CG1-CG1 4.42Å; A38-I133 HydrophobicContact CB-CG2 3.39Å; I76-I133 CarbonylContact C-O 3.59Å; I76-I133 WeakPolarHBondContact CA-O 3.34Å; G77-I133 PolarHBondContact N-O 3.1Å; G77-I133 PolarHBondContact O-N 2.79Å; I133-V145 HydrophobicContact CG2-CG1 3.95Å; I133-Y146 WeakPolarHBondContact CA-O 3.45Å; I133-K160 HydrophobicContact CD1-CB 4.31Å; I133-K160 HydrophobicContact CD1-CG 4.34Å
134	I	98.7	Very high	97.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.7	172.8	-65.2	174.7	0	0	0	107.5	T74 I76 I112 L116 V145 Y146 F148	T74-I134 HydrophobicContact CG2-CG2 3.57Å; I76-I134 HydrophobicContact CB-CG1 4.28Å; I76-I134 HydrophobicContact CD1-CG1 4.07Å; I76-I134 HydrophobicContact CG1-CG1 3.9Å; I112-I134 HydrophobicContact CG2-CD1 3.87Å; L116-I134 HydrophobicContact CB-CD1 4.48Å; L116-I134 HydrophobicContact CD2-CD1 3.75Å; L116-I134 HydrophobicContact CD2-CG1 4.32Å; I134-V145 CarbonylContact O-C 3.58Å; I134-V145 VanDerWaalsContact O-CA 3.29Å; I134-V145 WeakPolarHBondContact O-CA 3.38Å; I134-Y146 HydrophobicContact CG2-CD2 4.44Å; I134-Y146 PolarHBondContact N-O 2.97Å; I134-Y146 PolarHBondContact O-N 3.22Å; I134-F148 HydrophobicContact CB-CE2 4.43Å; I134-F148 HydrophobicContact CD1-CE2 3.75Å; I134-F148 HydrophobicContact CD1-CZ 4.03Å; I134-F148 HydrophobicContact CG1-CE2 3.99Å
135	G	98.5	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.1	168.3	0	0	0	0	0	110.3	V75 A144 I222	V75-G135 PolarHBondContact N-O 2.83Å; V75-G135 PolarHBondContact O-N 2.81Å; V75-G135 VanDerWaalsContact O-O 3.04Å; G135-A144 WeakPolarHBondContact CA-O 3.36Å; G135-I222 VanDerWaalsContact O-CD1 3.25Å; G135-I222 WeakPolarHBondContact O-CD1 3.17Å
136	G	97.8	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-169.7	178.5	0	0	0	0	0	112.7	A45 T73 A144	A45-G136 WeakPolarHBondContact CB-O 3.48Å; T73-G136 CarbonylContact O-C 3.57Å; T73-G136 WeakPolarHBondContact O-CA 3.37Å; G136-A144 PolarHBondContact N-O 2.99Å; G136-A144 PolarHBondContact O-N 3.33Å
137	L	98.1	Very high	97.5	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.058	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	137	172.1	-59.3	-178.1	0	0	0	110.5	T73 S109 K142 I222 T223 K224	T73-L137 PolarHBondContact O-N 2.91Å; S109-L137 PolarHBondContact OG-O 3.22Å; S109-L137 VanDerWaalsContact OG-O 3.08Å; L137-K142 WeakPolarHBondContact CA-O 3.44Å; L137-I222 HydrophobicContact CG-CG2 4.31Å; L137-T223 VanDerWaalsContact CD1-C 3.44Å; L137-K224 HydrophobicContact CD1-CB 4.49Å
138	D	95.7	Very high	97.5	Very high	29 Å²	29	33.9 Å²	33.9	16%	0.155	16%	0.163	C	C	.	.			trans	-76.4	-179.9	169.4	67.3	20.7	0	0	0	112.1	E140 G141 K142 A144 R156	D138-E140 PolarHBondContact O-N 3.01Å; D138-E140 WeakPolarHBondContact OD1-CA 3.28Å; D138-E140 WeakPolarHBondContact OD1-CB 3.38Å; D138-E140 PolarHBondContact OD1-N 3.47Å; D138-G141 PolarHBondContact O-N 3.08Å; D138-G141 PolarHBondContact OD1-N 3.1Å; D138-G141 VanDerWaalsContact OD1-N 3.15Å; D138-K142 PolarHBondContact N-O 3.35Å; D138-K142 PolarHBondContact OD1-N 3.5Å; D138-A144 HydrophobicContact CB-CB 4.3Å; D138-R156 IonicContact OD2-CZ 3.92Å; D138-R156 IonicContact OD2-NH1 3.52Å; D138-R156 PolarHBondContact OD2-NH1 3.43Å; D138-R156 IonicContact OD2-NH2 2.8Å; D138-R156 PolarHBondContact OD2-NH2 3.49Å
139	E	93.7	Very high	97.5	Very high	169 Å²	169	36 Å²	36	79%	0.79	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.1	-179.1	-64.8	-176	134.5	0	0	113.1	T108 G141	T108-E139 HydrophobicContact CG2-CG 3.71Å; T108-E139 WeakPolarHBondContact CG2-OE1 3.16Å; E139-G141 VanDerWaalsContact C-N 3.3Å
140	E	95	Very high	97.4	Very high	146 Å²	146	33.7 Å²	33.7	68%	0.682	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.7	173.8	-61.1	-179.2	-173.8	0	0	112.2	D138 K142	D138-E140 PolarHBondContact O-N 3.01Å; D138-E140 WeakPolarHBondContact OD1-CA 3.28Å; D138-E140 WeakPolarHBondContact OD1-CB 3.38Å; D138-E140 PolarHBondContact OD1-N 3.47Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 HydrophobicContact CB-CG 4.46Å; E140-K142 IonicContact OE2-NZ 2.79Å; E140-K142 PolarHBondContact OE2-NZ 2.86Å
141	G	94.7	Very high	97.4	Very high	32 Å²	32	35.9 Å²	35.9	33%	0.33	18%	0.183	S	C	.	.	S	Bend	trans	80.4	13	-175.7	0	0	0	0	0	113.9	D138 E139	D138-G141 PolarHBondContact O-N 3.08Å; D138-G141 PolarHBondContact OD1-N 3.1Å; D138-G141 VanDerWaalsContact OD1-N 3.15Å; E139-G141 VanDerWaalsContact C-N 3.3Å
142	K	97.3	Very high	97.3	Very high	81 Å²	81	31.9 Å²	31.9	35%	0.352	17%	0.168	S	C	.	.			trans	-89.4	150.6	177.8	-65.9	176.4	-179.5	147.9	0	111.9	E42 L137 D138 E140 A144	E42-K142 VanDerWaalsContact O-CA 3.3Å; E42-K142 WeakPolarHBondContact O-CA 3.27Å; L137-K142 WeakPolarHBondContact CA-O 3.44Å; D138-K142 PolarHBondContact N-O 3.35Å; D138-K142 PolarHBondContact OD1-N 3.5Å; E140-K142 VanDerWaalsContact C-N 3.34Å; E140-K142 HydrophobicContact CB-CG 4.46Å; E140-K142 IonicContact OE2-NZ 2.79Å; E140-K142 PolarHBondContact OE2-NZ 2.86Å; K142-A144 PolarHBondContact O-N 3.37Å
143	G	97.6	Very high	97.3	Very high	7 Å²	7	35.4 Å²	35.4	7%	0.072	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	130.9	172.6	0	0	0	0	0	111.8	G41 F44 R156	G41-G143 WeakPolarHBondContact O-CA 3.46Å; G41-G143 PolarHBondContact O-N 2.88Å; G41-G143 VanDerWaalsContact O-N 3.1Å; F44-G143 WeakPolarHBondContact O-CA 3.43Å; G143-R156 PolarHBondContact O-NH2 3.35Å
144	A	97.9	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.1	175.6	0	0	0	0	0	109.8	G135 G136 D138 K142 Y146	G135-A144 WeakPolarHBondContact CA-O 3.36Å; G136-A144 PolarHBondContact N-O 2.99Å; G136-A144 PolarHBondContact O-N 3.33Å; D138-A144 HydrophobicContact CB-CB 4.3Å; K142-A144 PolarHBondContact O-N 3.37Å; A144-Y146 HydrophobicContact CB-CE2 3.87Å
145	V	98.6	Very high	97.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131	172.6	171.3	0	0	0	0	109.1	A38 A40 I133 I134 R156 D157 K160	A38-V145 HydrophobicContact CB-CB 4.46Å; A38-V145 HydrophobicContact CB-CG1 3.83Å; A38-V145 HydrophobicContact CB-CG2 3.72Å; A40-V145 HydrophobicContact CB-CG2 4.01Å; I133-V145 HydrophobicContact CG2-CG1 3.95Å; I134-V145 CarbonylContact O-C 3.58Å; I134-V145 VanDerWaalsContact O-CA 3.29Å; I134-V145 WeakPolarHBondContact O-CA 3.38Å; V145-R156 CarbonylContact O-C 3.59Å; V145-R156 WeakPolarHBondContact O-CA 3.4Å; V145-D157 WeakPolarHBondContact CB-O 3.44Å; V145-D157 PolarHBondContact O-N 3.29Å; V145-K160 HydrophobicContact CG1-CB 4.35Å
146	Y	98.7	Very high	97.2	Very high	26 Å²	26	50.7 Å²	50.7	10%	0.102	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.7	174.6	-58.9	-86.3	0	0	0	109.5	A113 I133 I134 A144 Y154 Q155 R156	A113-Y146 HydrophobicContact CB-CD1 3.9Å; A113-Y146 HydrophobicContact CB-CD2 3.93Å; A113-Y146 HydrophobicContact CB-CE1 4.28Å; A113-Y146 HydrophobicContact CB-CE2 4.32Å; A113-Y146 HydrophobicContact CB-CG 3.69Å; I133-Y146 WeakPolarHBondContact CA-O 3.45Å; I134-Y146 HydrophobicContact CG2-CD2 4.44Å; I134-Y146 PolarHBondContact N-O 2.97Å; I134-Y146 PolarHBondContact O-N 3.22Å; A144-Y146 HydrophobicContact CB-CE2 3.87Å; Y146-Y154 HydrophobicContact CD1-CD2 4.02Å; Y146-Y154 HydrophobicContact CD1-CE2 4.2Å; Y146-Q155 WeakPolarHBondContact CA-O 3.47Å; Y146-R156 HydrophobicContact CD1-CB 4.07Å; Y146-R156 HydrophobicContact CD1-CG 4.48Å; Y146-R156 HydrophobicContact CE1-CB 3.85Å; Y146-R156 HydrophobicContact CE1-CG 4.09Å
147	S	98.2	Very high	97.2	Very high	13 Å²	13	52.2 Å²	52.2	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.9	177.2	68.2	0	0	0	0	110.9	Y154 Q155 D157	S147-Y154 WeakPolarHBondContact O-CA 3.27Å; S147-Y154 VanDerWaalsContact O-CB 3.26Å; S147-Y154 WeakPolarHBondContact O-CB 3.4Å; S147-Q155 PolarHBondContact N-O 3.28Å; S147-Q155 PolarHBondContact O-N 2.99Å; S147-D157 WeakPolarHBondContact CB-OD2 3.45Å; S147-D157 PolarHBondContact OG-OD2 3.42Å
148	F	98.6	Very high	97.2	Very high	15 Å²	15	55.6 Å²	55.6	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.3	-176.5	-64.7	-98.2	0	0	0	111.7	A113 L116 L120 N132 I134 S153 Y154	A113-F148 HydrophobicContact CB-CZ 3.82Å; A113-F148 WeakPolarHBondContact O-CE1 3.49Å; L116-F148 HydrophobicContact CB-CE1 4.05Å; L116-F148 HydrophobicContact CB-CZ 4.22Å; L116-F148 HydrophobicContact CD2-CD1 4.17Å; L116-F148 HydrophobicContact CD2-CD2 4Å; L116-F148 HydrophobicContact CD2-CE1 4.07Å; L116-F148 HydrophobicContact CD2-CE2 3.91Å; L116-F148 HydrophobicContact CD2-CG 4.16Å; L116-F148 HydrophobicContact CD2-CZ 3.97Å; L116-F148 HydrophobicContact CG-CD1 4.22Å; L116-F148 HydrophobicContact CG-CE1 4.06Å; L116-F148 HydrophobicContact CG-CZ 4.36Å; L120-F148 HydrophobicContact CD1-CB 4.14Å; L120-F148 HydrophobicContact CD1-CD1 3.96Å; L120-F148 HydrophobicContact CD1-CG 4.31Å; N132-F148 HydrophobicContact CB-CB 4.09Å; N132-F148 HydrophobicContact CB-CD2 4.1Å; N132-F148 HydrophobicContact CB-CG 4.31Å; N132-F148 PolarHBondContact O-N 3.41Å; I134-F148 HydrophobicContact CB-CE2 4.43Å; I134-F148 HydrophobicContact CD1-CE2 3.75Å; I134-F148 HydrophobicContact CD1-CZ 4.03Å; I134-F148 HydrophobicContact CG1-CE2 3.99Å; F148-S153 WeakPolarHBondContact CA-O 3.39Å; F148-Y154 VanDerWaalsContact CD1-CB 3.44Å; F148-Y154 HydrophobicContact CD1-CG 4.26Å; F148-Y154 HydrophobicContact CE1-CD1 4.06Å; F148-Y154 HydrophobicContact CE1-CD2 4.28Å; F148-Y154 AromaticContact CE1-CG 3.64Å; F148-Y154 HydrophobicContact CE1-CG 3.64Å; F148-Y154 HydrophobicContact CZ-CD2 4.21Å; F148-Y154 HydrophobicContact CZ-CG 4.02Å
149	D	97.6	Very high	97.3	Very high	60 Å²	60	55.3 Å²	55.3	32%	0.321	28%	0.281	S	S	.	.			trans	-90.3	165.9	160.6	72.1	13.3	0	0	0	111.2	V151 G152 S153	D149-V151 VanDerWaalsContact CG-CG2 3.49Å; D149-V151 PolarHBondContact O-N 2.97Å; D149-V151 VanDerWaalsContact O-N 3.09Å; D149-V151 WeakPolarHBondContact OD1-CG2 3.29Å; D149-V151 PolarHBondContact OD1-N 3.18Å; D149-V151 VanDerWaalsContact OD1-N 3.12Å; D149-V151 WeakPolarHBondContact OD2-CG2 3.32Å; D149-G152 PolarHBondContact O-N 2.94Å; D149-G152 PolarHBondContact OD1-N 2.85Å; D149-S153 PolarHBondContact N-O 3Å; D149-S153 VanDerWaalsContact N-O 3.12Å; D149-S153 PolarHBondContact OD1-N 3.32Å; D149-S153 WeakPolarHBondContact OD2-CB 3.28Å
150	P	97.1	Very high	97.6	Very high	25 Å²	25	50.2 Å²	50.2	16%	0.162	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.5	-179.5	-25.4	35.7	0	0	0	115.1	Y128 Y131	Y128-P150 WeakPolarHBondContact O-CB 3.42Å; Y131-P150 HydrophobicContact CD1-CG 4.16Å; Y131-P150 HydrophobicContact CE1-CG 3.76Å
151	V	96.1	Very high	97.7	Very high	47 Å²	47	43.4 Å²	43.4	29%	0.285	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-8.1	-179.8	-62.5	0	0	0	0	113.2	Y121 D149	Y121-V151 WeakPolarHBondContact CA-O 3.49Å; Y121-V151 WeakPolarHBondContact CD2-O 3.46Å; Y121-V151 PolarHBondContact N-O 3.17Å; D149-V151 VanDerWaalsContact CG-CG2 3.49Å; D149-V151 PolarHBondContact O-N 2.97Å; D149-V151 VanDerWaalsContact O-N 3.09Å; D149-V151 WeakPolarHBondContact OD1-CG2 3.29Å; D149-V151 PolarHBondContact OD1-N 3.18Å; D149-V151 VanDerWaalsContact OD1-N 3.12Å; D149-V151 WeakPolarHBondContact OD2-CG2 3.32Å
152	G	96.2	Very high	97.8	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	104	8.5	171.9	0	0	0	0	0	115.7	S117 D149	S117-G152 WeakPolarHBondContact CA-O 3.49Å; S117-G152 VanDerWaalsContact CB-O 3.24Å; S117-G152 WeakPolarHBondContact CB-O 3.24Å; S117-G152 PolarHBondContact OG-O 3.3Å; D149-G152 PolarHBondContact O-N 2.94Å; D149-G152 PolarHBondContact OD1-N 2.85Å
153	S	98.3	Very high	97.8	Very high	75 Å²	75	39.3 Å²	39.3	52%	0.524	21%	0.206	S	C	.	.			trans	-68.3	143.6	165.8	-167.6	0	0	0	0	109.7	F148 D149	F148-S153 WeakPolarHBondContact CA-O 3.39Å; D149-S153 PolarHBondContact N-O 3Å; D149-S153 VanDerWaalsContact N-O 3.12Å; D149-S153 PolarHBondContact OD1-N 3.32Å; D149-S153 WeakPolarHBondContact OD2-CB 3.28Å
154	Y	98.6	Very high	97.8	Very high	93 Å²	93	40.6 Å²	40.6	37%	0.365	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157	179.1	77.4	-78.7	0	0	0	112.7	A113 Y146 S147 F148	A113-Y154 HydrophobicContact CB-CD2 4.21Å; A113-Y154 HydrophobicContact CB-CE2 4.02Å; Y146-Y154 HydrophobicContact CD1-CD2 4.02Å; Y146-Y154 HydrophobicContact CD1-CE2 4.2Å; S147-Y154 WeakPolarHBondContact O-CA 3.27Å; S147-Y154 VanDerWaalsContact O-CB 3.26Å; S147-Y154 WeakPolarHBondContact O-CB 3.4Å; F148-Y154 VanDerWaalsContact CD1-CB 3.44Å; F148-Y154 HydrophobicContact CD1-CG 4.26Å; F148-Y154 HydrophobicContact CE1-CD1 4.06Å; F148-Y154 HydrophobicContact CE1-CD2 4.28Å; F148-Y154 AromaticContact CE1-CG 3.64Å; F148-Y154 HydrophobicContact CE1-CG 3.64Å; F148-Y154 HydrophobicContact CZ-CD2 4.21Å; F148-Y154 HydrophobicContact CZ-CG 4.02Å
155	Q	98.2	Very high	97.8	Very high	102 Å²	102	40.6 Å²	40.6	48%	0.477	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.6	174.2	64.7	-177.6	30.5	0	0	110.4	Y146 S147 D157	Y146-Q155 WeakPolarHBondContact CA-O 3.47Å; S147-Q155 PolarHBondContact N-O 3.28Å; S147-Q155 PolarHBondContact O-N 2.99Å; Q155-D157 PolarHBondContact NE2-OD1 2.97Å; Q155-D157 PolarHBondContact NE2-OD2 3.36Å
156	R	98.3	Very high	97.8	Very high	130 Å²	130	42.3 Å²	42.3	49%	0.491	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.1	171.2	-173.1	178.7	179.5	167.4	5.2	108.5	D138 G143 V145 Y146	D138-R156 IonicContact OD2-CZ 3.92Å; D138-R156 IonicContact OD2-NH1 3.52Å; D138-R156 PolarHBondContact OD2-NH1 3.43Å; D138-R156 IonicContact OD2-NH2 2.8Å; D138-R156 PolarHBondContact OD2-NH2 3.49Å; G143-R156 PolarHBondContact O-NH2 3.35Å; V145-R156 CarbonylContact O-C 3.59Å; V145-R156 WeakPolarHBondContact O-CA 3.4Å; Y146-R156 HydrophobicContact CD1-CB 4.07Å; Y146-R156 HydrophobicContact CD1-CG 4.48Å; Y146-R156 HydrophobicContact CE1-CB 3.85Å; Y146-R156 HydrophobicContact CE1-CG 4.09Å
157	D	97.7	Very high	97.7	Very high	33 Å²	33	45 Å²	45	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	159.3	180	-66.6	-51.2	0	0	0	110.3	V145 S147 Q155	V145-D157 WeakPolarHBondContact CB-O 3.44Å; V145-D157 PolarHBondContact O-N 3.29Å; S147-D157 WeakPolarHBondContact CB-OD2 3.45Å; S147-D157 PolarHBondContact OG-OD2 3.42Å; Q155-D157 PolarHBondContact NE2-OD1 2.97Å; Q155-D157 PolarHBondContact NE2-OD2 3.36Å
158	T	97.3	Very high	97.7	Very high	81 Å²	81	48.8 Å²	48.8	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-78.7	-34.7	168.7	-48.8	0	0	0	0	111.3	A40	A40-T158 WeakPolarHBondContact CB-O 3.37Å; A40-T158 PolarHBondContact N-O 3.4Å
159	Y	98.2	Very high	97.7	Very high	24 Å²	24	48.1 Å²	48.1	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.5	178.2	51.6	-92.5	0	0	0	109.9	A38 Q170 L173 D174 I177 G178	A38-Y159 CarbonylContact O-C 3.59Å; A38-Y159 VanDerWaalsContact O-CA 3.25Å; A38-Y159 WeakPolarHBondContact O-CA 3.4Å; Y159-Q170 VanDerWaalsContact CE2-NE2 3.34Å; Y159-L173 HydrophobicContact CD2-CB 3.45Å; Y159-L173 VanDerWaalsContact CD2-CB 3.45Å; Y159-L173 HydrophobicContact CD2-CD1 4Å; Y159-L173 HydrophobicContact CD2-CG 4.35Å; Y159-L173 HydrophobicContact CE2-CB 3.69Å; Y159-L173 HydrophobicContact CG-CB 4.17Å; Y159-D174 WeakPolarHBondContact CE2-OD1 3.43Å; Y159-D174 WeakPolarHBondContact OH-CA 3.43Å; Y159-D174 PolarHBondContact OH-OD1 2.96Å; Y159-I177 HydrophobicContact CD1-CB 3.85Å; Y159-I177 HydrophobicContact CD1-CD1 4.15Å; Y159-I177 HydrophobicContact CD1-CG2 3.55Å; Y159-I177 HydrophobicContact CE1-CB 3.84Å; Y159-I177 HydrophobicContact CE1-CG2 3.73Å; Y159-I177 HydrophobicContact CG-CD1 4.22Å; Y159-G178 WeakPolarHBondContact OH-CA 3.32Å
160	K	98.6	Very high	97.8	Very high	62 Å²	62	47 Å²	47	27%	0.27	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	138.6	176.6	-161.1	77.3	168.3	-169.7	0	111.6	L37 A38 I133 V145	L37-K160 WeakPolarHBondContact CA-O 3.41Å; L37-K160 WeakPolarHBondContact CD1-O 3.23Å; A38-K160 PolarHBondContact N-O 3.13Å; A38-K160 PolarHBondContact O-N 3.5Å; I133-K160 HydrophobicContact CD1-CB 4.31Å; I133-K160 HydrophobicContact CD1-CG 4.34Å; V145-K160 HydrophobicContact CG1-CB 4.35Å
161	A	98.2	Very high	97.8	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.017	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.5	166.8	0	0	0	0	0	111.2	V36 L37 S166 L169	V36-A161 CarbonylContact O-C 3.57Å; V36-A161 WeakPolarHBondContact O-CA 3.3Å; L37-A161 HydrophobicContact CD1-CB 4.06Å; A161-S166 PolarHBondContact O-OG 3.05Å; A161-L169 HydrophobicContact CB-CB 3.63Å; A161-L169 HydrophobicContact CB-CD1 4.01Å; A161-L169 HydrophobicContact CB-CG 4.4Å
162	G	97.2	Very high	97.9	Very high	10 Å²	10	50.3 Å²	50.3	10%	0.103	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	165.1	179	0	0	0	0	0	111.5	V36	V36-G162 PolarHBondContact N-O 2.89Å; V36-G162 PolarHBondContact O-N 2.83Å
163	G	96.8	Very high	98	Very high	18 Å²	18	50.1 Å²	50.1	19%	0.186	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	89.1	-158.5	-174.7	0	0	0	0	0	113.6	G34 S79 S166	G34-G163 VanDerWaalsContact O-CA 3.23Å; G34-G163 WeakPolarHBondContact O-CA 3.23Å; S79-G163 VanDerWaalsContact OG-CA 3.3Å; S79-G163 WeakPolarHBondContact OG-CA 3.46Å; S79-G163 PolarHBondContact OG-N 2.76Å; G163-S166 WeakPolarHBondContact O-CB 3.3Å; G163-S166 PolarHBondContact O-N 3.09Å
164	S	97.4	Very high	97.9	Very high	33 Å²	33	48.3 Å²	48.3	23%	0.231	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-44.6	-170.7	52.4	0	0	0	0	113.6	G34 T35 S166 D210 Y212	G34-S164 PolarHBondContact O-N 2.78Å; G34-S164 VanDerWaalsContact O-N 3.09Å; T35-S164 PolarHBondContact OG1-OG 3.17Å; T35-S164 VanDerWaalsContact OG1-OG 3.14Å; S164-S166 PolarHBondContact O-N 3.42Å; S164-D210 WeakPolarHBondContact CB-OD2 3.47Å; S164-D210 PolarHBondContact OG-OD2 2.62Å; S164-Y212 WeakPolarHBondContact OG-CB 3.37Å
165	A	97.9	Very high	97.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	14.6	-176.8	0	0	0	0	0	114.2	T35 A167 M168 L169 A206 D210	T35-A165 HydrophobicContact CG2-CB 3.93Å; T35-A165 VanDerWaalsContact OG1-CB 3.3Å; T35-A165 WeakPolarHBondContact OG1-CB 3.42Å; T35-A165 PolarHBondContact OG1-N 3.06Å; T35-A165 VanDerWaalsContact OG1-N 3.13Å; A165-A167 VanDerWaalsContact C-N 3.28Å; A165-A167 PolarHBondContact O-N 2.97Å; A165-M168 HydrophobicContact CB-CB 4.44Å; A165-M168 HydrophobicContact CB-SD 4.42Å; A165-M168 WeakPolarHBondContact O-CB 3.48Å; A165-M168 PolarHBondContact O-N 2.88Å; A165-L169 WeakPolarHBondContact O-CG 3.37Å; A165-L169 PolarHBondContact O-N 3.42Å; A165-A206 HydrophobicContact CB-CB 4.13Å; A165-D210 HydrophobicContact CB-CB 4.05Å
166	S	98.1	Very high	97.8	Very high	36 Å²	36	45.4 Å²	45.4	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-51.1	-46.3	-178.5	175.5	0	0	0	0	112.6	A161 G163 S164 M168 L169 Q170	A161-S166 PolarHBondContact O-OG 3.05Å; G163-S166 WeakPolarHBondContact O-CB 3.3Å; G163-S166 PolarHBondContact O-N 3.09Å; S164-S166 PolarHBondContact O-N 3.42Å; S166-M168 VanDerWaalsContact C-N 3.27Å; S166-M168 PolarHBondContact O-N 2.91Å; S166-L169 PolarHBondContact O-N 3.05Å; S166-Q170 WeakPolarHBondContact O-CB 3.45Å; S166-Q170 PolarHBondContact O-N 2.67Å
167	A	98.1	Very high	97.6	Very high	84 Å²	84	40.3 Å²	40.3	69%	0.694	24%	0.236	S	C	*	.	H	α-helix	trans	-67.5	-22.7	179.4	0	0	0	0	0	114.1	A165 P171	A165-A167 VanDerWaalsContact C-N 3.28Å; A165-A167 PolarHBondContact O-N 2.97Å; A167-P171 VanDerWaalsContact O-CD 3.24Å; A167-P171 WeakPolarHBondContact O-CD 3.4Å
168	M	98.3	Very high	97.5	Very high	91 Å²	91	40 Å²	40	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-82.7	-37.1	176.6	-57.5	-173.9	-173.2	0	0	111.4	A165 S166 R209 D210	A165-M168 HydrophobicContact CB-CB 4.44Å; A165-M168 HydrophobicContact CB-SD 4.42Å; A165-M168 WeakPolarHBondContact O-CB 3.48Å; A165-M168 PolarHBondContact O-N 2.88Å; S166-M168 VanDerWaalsContact C-N 3.27Å; S166-M168 PolarHBondContact O-N 2.91Å; M168-R209 HydrophobicContact CE-CB 4.12Å; M168-R209 HydrophobicContact SD-CB 3.93Å; M168-D210 HydrophobicContact CE-CB 3.94Å; M168-D210 HydrophobicContact SD-CB 3.96Å
169	L	98.4	Very high	97.5	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-80.1	-43.1	-176.9	-62	-172.1	0	0	0	112.6	T35 L37 A161 A165 S166 L172 L173 V202 F203 A206	T35-L169 HydrophobicContact CG2-CD1 3.48Å; T35-L169 VanDerWaalsContact CG2-CD1 3.48Å; T35-L169 HydrophobicContact CG2-CG 4.47Å; L37-L169 HydrophobicContact CB-CD1 4.43Å; A161-L169 HydrophobicContact CB-CB 3.63Å; A161-L169 HydrophobicContact CB-CD1 4.01Å; A161-L169 HydrophobicContact CB-CG 4.4Å; A165-L169 WeakPolarHBondContact O-CG 3.37Å; A165-L169 PolarHBondContact O-N 3.42Å; S166-L169 PolarHBondContact O-N 3.05Å; L169-L172 PolarHBondContact O-N 3.2Å; L169-L172 VanDerWaalsContact O-N 3.14Å; L169-L173 WeakPolarHBondContact O-CG 3.37Å; L169-L173 PolarHBondContact O-N 2.88Å; L169-V202 HydrophobicContact CD2-CB 3.69Å; L169-V202 HydrophobicContact CD2-CG2 3.76Å; L169-V202 WeakPolarHBondContact CD2-O 3.17Å; L169-F203 HydrophobicContact CD1-CZ 4.48Å; L169-A206 HydrophobicContact CD2-CB 3.8Å
170	Q	98.3	Very high	97.3	Very high	37 Å²	37	41.9 Å²	41.9	17%	0.173	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-45.3	-168.5	-167.1	65.8	59.5	0	0	114.2	Y159 S166 L172 L173 D174	Y159-Q170 VanDerWaalsContact CE2-NE2 3.34Å; S166-Q170 WeakPolarHBondContact O-CB 3.45Å; S166-Q170 PolarHBondContact O-N 2.67Å; Q170-L172 VanDerWaalsContact C-N 3.3Å; Q170-L172 PolarHBondContact O-N 2.83Å; Q170-L173 PolarHBondContact O-N 3.39Å; Q170-D174 PolarHBondContact O-N 3.34Å
171	P	98.3	Very high	97.2	Very high	78 Å²	78	47.1 Å²	47.1	51%	0.506	27%	0.274	S	S	.	.	H	α-helix	trans	-66.1	-31	179.7	-21.5	34.8	0	0	0	113.6	A167 D174 N175	A167-P171 VanDerWaalsContact O-CD 3.24Å; A167-P171 WeakPolarHBondContact O-CD 3.4Å; P171-D174 PolarHBondContact O-N 2.66Å; P171-N175 PolarHBondContact O-N 3.14Å
172	L	97.8	Very high	97	Very high	62 Å²	62	51.1 Å²	51.1	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-71	-37.5	178.9	-174.6	53.9	0	0	0	111.1	L169 Q170 N175 Q176 V202	L169-L172 PolarHBondContact O-N 3.2Å; L169-L172 VanDerWaalsContact O-N 3.14Å; Q170-L172 VanDerWaalsContact C-N 3.3Å; Q170-L172 PolarHBondContact O-N 2.83Å; L172-N175 PolarHBondContact O-N 3.48Å; L172-Q176 HydrophobicContact CD1-CG 4.03Å; L172-Q176 WeakPolarHBondContact O-CB 3.37Å; L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.36Å; L172-V202 HydrophobicContact CD2-CB 4.12Å; L172-V202 HydrophobicContact CD2-CG1 3.37Å; L172-V202 HydrophobicContact CG-CG1 3.89Å
173	L	97.7	Very high	96.9	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.3	-38.3	173.1	-56.6	168	0	0	0	111.7	L37 Y159 L169 Q170 N175 Q176 I177 G178 L198	L37-L173 HydrophobicContact CD1-CD1 3.36Å; L37-L173 HydrophobicContact CD1-CD2 4.37Å; L37-L173 HydrophobicContact CD1-CG 4.45Å; Y159-L173 HydrophobicContact CD2-CB 3.45Å; Y159-L173 VanDerWaalsContact CD2-CB 3.45Å; Y159-L173 HydrophobicContact CD2-CD1 4Å; Y159-L173 HydrophobicContact CD2-CG 4.35Å; Y159-L173 HydrophobicContact CE2-CB 3.69Å; Y159-L173 HydrophobicContact CG-CB 4.17Å; L169-L173 WeakPolarHBondContact O-CG 3.37Å; L169-L173 PolarHBondContact O-N 2.88Å; Q170-L173 PolarHBondContact O-N 3.39Å; L173-N175 PolarHBondContact O-N 3.43Å; L173-Q176 PolarHBondContact O-N 2.77Å; L173-I177 HydrophobicContact CB-CD1 4.47Å; L173-I177 HydrophobicContact CD2-CD1 3.92Å; L173-I177 WeakPolarHBondContact O-CA 3.3Å; L173-I177 WeakPolarHBondContact O-CB 3.42Å; L173-I177 PolarHBondContact O-N 3.06Å; L173-G178 PolarHBondContact O-N 3.39Å; L173-L198 HydrophobicContact CD2-CD2 4.14Å; L173-L198 HydrophobicContact CD2-CG 4.48Å
174	D	97.7	Very high	96.6	Very high	37 Å²	37	63.3 Å²	63.3	20%	0.198	37%	0.367	C	S	.	.	H	α-helix	trans	-58.7	-35	174.5	-81.3	-34.3	0	0	0	113	Y159 Q170 P171 G178 F179 K180	Y159-D174 WeakPolarHBondContact CE2-OD1 3.43Å; Y159-D174 WeakPolarHBondContact OH-CA 3.43Å; Y159-D174 PolarHBondContact OH-OD1 2.96Å; Q170-D174 PolarHBondContact O-N 3.34Å; P171-D174 PolarHBondContact O-N 2.66Å; D174-G178 CarbonylContact O-C 3.56Å; D174-G178 WeakPolarHBondContact O-CA 3.24Å; D174-G178 PolarHBondContact O-N 2.94Å; D174-F179 PolarHBondContact O-N 2.98Å; D174-F179 VanDerWaalsContact O-N 3.11Å; D174-K180 HydrophobicContact CB-CD 4.08Å; D174-K180 PolarHBondContact O-N 3.13Å; D174-K180 IonicContact OD1-NZ 3.38Å; D174-K180 PolarHBondContact OD1-NZ 3.31Å; D174-K180 IonicContact OD2-NZ 3.82Å
175	N	96.9	Very high	96.4	Very high	61 Å²	61	64.1 Å²	64.1	33%	0.326	37%	0.37	S	S	.	.	H	α-helix	trans	-77.9	-53	174.9	-172.5	-7.2	0	0	0	111.5	P171 L172 L173 F179 M182	P171-N175 PolarHBondContact O-N 3.14Å; L172-N175 PolarHBondContact O-N 3.48Å; L173-N175 PolarHBondContact O-N 3.43Å; N175-F179 VanDerWaalsContact O-CA 3.3Å; N175-F179 WeakPolarHBondContact O-CA 3.35Å; N175-F179 PolarHBondContact O-N 2.8Å; N175-M182 PolarHBondContact OD1-SD 2.74Å
176	Q	96.1	Very high	95.9	Very high	73 Å²	73	71.3 Å²	71.3	34%	0.341	40%	0.404	S	S	.	.	H	α-helix	trans	-78.6	-30.3	-169.8	-66.3	-60.8	-53.5	0	0	115.1	L172 L173 L198	L172-Q176 HydrophobicContact CD1-CG 4.03Å; L172-Q176 WeakPolarHBondContact O-CB 3.37Å; L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.36Å; L173-Q176 PolarHBondContact O-N 2.77Å; Q176-L198 HydrophobicContact CB-CD1 3.95Å; Q176-L198 HydrophobicContact CB-CD2 3.85Å; Q176-L198 HydrophobicContact CG-CD1 3.9Å
177	I	95.8	Very high	95.5	Very high	22 Å²	22	76.4 Å²	76.4	11%	0.113	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-43.4	179.7	-52.8	176.6	0	0	0	110	V39 Y159 L173 F179 L190 L198	V39-I177 HydrophobicContact CG1-CD1 3.83Å; V39-I177 HydrophobicContact CG2-CD1 4.05Å; Y159-I177 HydrophobicContact CD1-CB 3.85Å; Y159-I177 HydrophobicContact CD1-CD1 4.15Å; Y159-I177 HydrophobicContact CD1-CG2 3.55Å; Y159-I177 HydrophobicContact CE1-CB 3.84Å; Y159-I177 HydrophobicContact CE1-CG2 3.73Å; Y159-I177 HydrophobicContact CG-CD1 4.22Å; L173-I177 HydrophobicContact CB-CD1 4.47Å; L173-I177 HydrophobicContact CD2-CD1 3.92Å; L173-I177 WeakPolarHBondContact O-CA 3.3Å; L173-I177 WeakPolarHBondContact O-CB 3.42Å; L173-I177 PolarHBondContact O-N 3.06Å; I177-F179 VanDerWaalsContact C-N 3.33Å; I177-F179 WeakPolarHBondContact O-CD2 3.46Å; I177-F179 WeakPolarHBondContact O-CE2 3.34Å; I177-L190 HydrophobicContact CD1-CD2 4.08Å; I177-L190 HydrophobicContact CG1-CD2 4.25Å; I177-L190 HydrophobicContact CG2-CD2 4.22Å; I177-L198 HydrophobicContact CD1-CD2 3.79Å; I177-L198 HydrophobicContact CG1-CD2 3.62Å
178	G	95.4	Very high	95.1	Very high	26 Å²	26	78 Å²	78	27%	0.268	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-17	-179.6	0	0	0	0	0	114.4	Y159 L173 D174 K180	Y159-G178 WeakPolarHBondContact OH-CA 3.32Å; L173-G178 PolarHBondContact O-N 3.39Å; D174-G178 CarbonylContact O-C 3.56Å; D174-G178 WeakPolarHBondContact O-CA 3.24Å; D174-G178 PolarHBondContact O-N 2.94Å; G178-K180 PolarHBondContact O-N 3.21Å
179	F	96	Very high	94.7	Very high	38 Å²	38	78.7 Å²	78.7	17%	0.167	43%	0.431	C	S	.	.			trans	50.4	26.9	-174.2	-57.5	-78.8	0	0	0	113.5	D174 N175 I177 M182 V185 H187	D174-F179 PolarHBondContact O-N 2.98Å; D174-F179 VanDerWaalsContact O-N 3.11Å; N175-F179 VanDerWaalsContact O-CA 3.3Å; N175-F179 WeakPolarHBondContact O-CA 3.35Å; N175-F179 PolarHBondContact O-N 2.8Å; I177-F179 VanDerWaalsContact C-N 3.33Å; I177-F179 WeakPolarHBondContact O-CD2 3.46Å; I177-F179 WeakPolarHBondContact O-CE2 3.34Å; F179-M182 HydrophobicContact CD1-SD 4.17Å; F179-V185 HydrophobicContact CD1-CG1 3.6Å; F179-V185 HydrophobicContact CE1-CG1 3.89Å; F179-H187 AromaticContact CD2-ND1 3.58Å
180	K	95.2	Very high	94.6	Very high	107 Å²	107	80.2 Å²	80.2	47%	0.465	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	140.4	-176.4	-66.3	-178.5	-175.3	162	0	110.1	D174 G178 M182	D174-K180 HydrophobicContact CB-CD 4.08Å; D174-K180 PolarHBondContact O-N 3.13Å; D174-K180 IonicContact OD1-NZ 3.38Å; D174-K180 PolarHBondContact OD1-NZ 3.31Å; D174-K180 IonicContact OD2-NZ 3.82Å; G178-K180 PolarHBondContact O-N 3.21Å; K180-M182 VanDerWaalsContact C-N 3.27Å; K180-M182 PolarHBondContact O-N 3.31Å
181	N	95.8	Very high	94.5	Very high	173 Å²	173	81.9 Å²	81.9	93%	0.925	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	30.4	178.4	-48.1	-49.9	0	0	0	114.2
182	M	94.9	Very high	94.4	Very high	85 Å²	85	81.1 Å²	81.1	42%	0.419	44%	0.441	S	S	.	.			trans	-116.4	139.3	172.5	-53.2	179.6	81.7	0	0	110.6	N175 F179 K180 V185	N175-M182 PolarHBondContact OD1-SD 2.74Å; F179-M182 HydrophobicContact CD1-SD 4.17Å; K180-M182 VanDerWaalsContact C-N 3.27Å; K180-M182 PolarHBondContact O-N 3.31Å; M182-V185 HydrophobicContact CB-CB 4.38Å; M182-V185 HydrophobicContact CB-CG2 3.53Å; M182-V185 HydrophobicContact CE-CG2 3.75Å; M182-V185 HydrophobicContact CG-CG2 4.4Å; M182-V185 HydrophobicContact SD-CG2 4.07Å
183	E	94.3	Very high	94.4	Very high	195 Å²	195	84.6 Å²	84.6	91%	0.911	46%	0.456	S	S	*	.	S	Bend	trans	-104.7	141.6	177.4	-65.2	-178.1	-179.2	0	0	110.9	V185	E183-V185 VanDerWaalsContact C-N 3.28Å; E183-V185 PolarHBondContact O-N 3.02Å
184	G	90.3	Very high	94.3	Very high	90 Å²	90	89.4 Å²	89.4	93%	0.928	48%	0.477	S	S	*	.	S	Bend	trans	69.8	16.9	174.4	0	0	0	0	0	115.7
185	V	92.6	Very high	94.3	Very high	50 Å²	50	87.8 Å²	87.8	30%	0.303	47%	0.468	S	S	.	.			trans	-88.4	140.8	-177.2	-177.1	0	0	0	0	111.8	F179 M182 E183	F179-V185 HydrophobicContact CD1-CG1 3.6Å; F179-V185 HydrophobicContact CE1-CG1 3.89Å; M182-V185 HydrophobicContact CB-CB 4.38Å; M182-V185 HydrophobicContact CB-CG2 3.53Å; M182-V185 HydrophobicContact CE-CG2 3.75Å; M182-V185 HydrophobicContact CG-CG2 4.4Å; M182-V185 HydrophobicContact SD-CG2 4.07Å; E183-V185 VanDerWaalsContact C-N 3.28Å; E183-V185 PolarHBondContact O-N 3.02Å
186	Q	88.7	Confident	94.3	Very high	150 Å²	150	85.5 Å²	85.5	70%	0.701	46%	0.456	S	S	*	.			trans	-82.1	127.3	172.7	-65.1	-178	9.9	0	0	110.8	L188	Q186-L188 HydrophobicContact CB-CG 4.46Å; Q186-L188 PolarHBondContact O-N 3.3Å; Q186-L188 VanDerWaalsContact O-N 3.08Å
187	H	89.6	Confident	94.4	Very high	144 Å²	144	86.2 Å²	86.2	67%	0.667	46%	0.46	S	S	*	.			trans	-82.1	83.6	175.2	-69.1	-98.9	0	0	0	110	F179	F179-H187 AromaticContact CD2-ND1 3.58Å
188	L	89.2	Confident	94.5	Very high	117 Å²	117	86 Å²	86	61%	0.613	46%	0.459	S	S	*	.			trans	-84.2	140.1	173.4	-64.6	172.8	0	0	0	110.2	Q186	Q186-L188 HydrophobicContact CB-CG 4.46Å; Q186-L188 PolarHBondContact O-N 3.3Å; Q186-L188 VanDerWaalsContact O-N 3.08Å
189	P	90.6	Very high	94.6	Very high	106 Å²	106	84.8 Å²	84.8	69%	0.688	45%	0.446	S	S	*	.			trans	-54.7	140.9	172.1	-24.9	34	0	0	0	111.6	T191	P189-T191 PolarHBondContact O-N 3.37Å
190	L	94.9	Very high	94.7	Very high	33 Å²	33	85.6 Å²	85.6	17%	0.173	45%	0.45	C	S	.	.			trans	-73.6	113.3	179.1	-178.5	65	0	0	0	109.7	V39 F44 I177 K194 A195	V39-L190 HydrophobicContact CG1-CD2 3.51Å; F44-L190 WeakPolarHBondContact CE1-O 3.41Å; F44-L190 HydrophobicContact CZ-CG 4.49Å; I177-L190 HydrophobicContact CD1-CD2 4.08Å; I177-L190 HydrophobicContact CG1-CD2 4.25Å; I177-L190 HydrophobicContact CG2-CD2 4.22Å; L190-K194 HydrophobicContact CD1-CB 4.31Å; L190-K194 HydrophobicContact CD1-CD 4.2Å; L190-K194 HydrophobicContact CD1-CG 4.18Å; L190-A195 HydrophobicContact CD1-CB 4.16Å; L190-A195 HydrophobicContact CD2-CB 3.8Å; L190-A195 HydrophobicContact CG-CB 3.9Å
191	T	96.8	Very high	94.9	Very high	73 Å²	73	83.9 Å²	83.9	45%	0.448	45%	0.445	S	S	.	.			trans	-75.9	153.8	173.5	72.4	0	0	0	0	111.3	P189 E193 K194 A195	P189-T191 PolarHBondContact O-N 3.37Å; T191-E193 VanDerWaalsContact C-N 3.33Å; T191-E193 PolarHBondContact O-N 2.94Å; T191-K194 PolarHBondContact O-N 2.8Å; T191-K194 WeakPolarHBondContact OG1-CB 3.36Å; T191-K194 PolarHBondContact OG1-N 3.23Å; T191-A195 WeakPolarHBondContact O-CB 3.39Å; T191-A195 PolarHBondContact O-N 3.17Å
192	Q	96.6	Very high	95	Very high	62 Å²	62	75.7 Å²	75.7	29%	0.29	40%	0.402	S	S	.	.	H	α-helix	trans	-59.2	-43.1	179.6	-171.8	-173.7	-58	0	0	111.9	F44 A195 V196 V221	F44-Q192 HydrophobicContact CD1-CB 3.82Å; F44-Q192 HydrophobicContact CD1-CG 4.25Å; F44-Q192 HydrophobicContact CD2-CB 4.4Å; F44-Q192 HydrophobicContact CD2-CG 4.1Å; F44-Q192 HydrophobicContact CE1-CB 3.8Å; F44-Q192 HydrophobicContact CE2-CB 4.39Å; F44-Q192 HydrophobicContact CE2-CG 4.37Å; F44-Q192 HydrophobicContact CG-CB 4.14Å; F44-Q192 HydrophobicContact CG-CG 4.05Å; F44-Q192 VanDerWaalsContact CZ-CA 3.43Å; F44-Q192 HydrophobicContact CZ-CB 4.11Å; Q192-A195 PolarHBondContact O-N 3.04Å; Q192-V196 WeakPolarHBondContact O-CG2 3.23Å; Q192-V196 PolarHBondContact O-N 3.39Å; Q192-V221 HydrophobicContact CG-CG1 4Å
193	E	96.6	Very high	95.2	Very high	135 Å²	135	71.6 Å²	71.6	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-64.5	-43.8	-179.2	-60.7	72.1	-155.3	0	0	111.1	T191 A195 V196 Q197	T191-E193 VanDerWaalsContact C-N 3.33Å; T191-E193 PolarHBondContact O-N 2.94Å; E193-A195 VanDerWaalsContact C-N 3.34Å; E193-V196 PolarHBondContact O-N 3.22Å; E193-Q197 WeakPolarHBondContact O-CB 3.42Å; E193-Q197 PolarHBondContact O-N 3.43Å
194	K	96.5	Very high	95.4	Very high	101 Å²	101	66.4 Å²	66.4	44%	0.439	36%	0.359	S	S	.	.	H	α-helix	trans	-65	-40.7	177.4	-174.4	178.9	178.4	-172.9	0	110.8	L190 T191 Q197 L198	L190-K194 HydrophobicContact CD1-CB 4.31Å; L190-K194 HydrophobicContact CD1-CD 4.2Å; L190-K194 HydrophobicContact CD1-CG 4.18Å; T191-K194 PolarHBondContact O-N 2.8Å; T191-K194 WeakPolarHBondContact OG1-CB 3.36Å; T191-K194 PolarHBondContact OG1-N 3.23Å; K194-Q197 PolarHBondContact O-N 3.43Å; K194-L198 WeakPolarHBondContact O-CB 3.44Å; K194-L198 PolarHBondContact O-N 3.12Å
195	A	97.3	Very high	95.7	Very high	2 Å²	2	65.4 Å²	65.4	2%	0.017	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-46.1	176.9	0	0	0	0	0	111.8	F44 I46 L190 T191 Q192 E193 Q197 L198 V199	F44-A195 HydrophobicContact CE2-CB 3.76Å; F44-A195 HydrophobicContact CZ-CB 3.82Å; I46-A195 HydrophobicContact CD1-CB 3.54Å; L190-A195 HydrophobicContact CD1-CB 4.16Å; L190-A195 HydrophobicContact CD2-CB 3.8Å; L190-A195 HydrophobicContact CG-CB 3.9Å; T191-A195 WeakPolarHBondContact O-CB 3.39Å; T191-A195 PolarHBondContact O-N 3.17Å; Q192-A195 PolarHBondContact O-N 3.04Å; E193-A195 VanDerWaalsContact C-N 3.34Å; A195-Q197 VanDerWaalsContact C-N 3.34Å; A195-Q197 PolarHBondContact O-N 3.18Å; A195-L198 PolarHBondContact O-N 3.44Å; A195-V199 VanDerWaalsContact O-CG2 3.27Å; A195-V199 WeakPolarHBondContact O-CG2 3.43Å; A195-V199 PolarHBondContact O-N 2.82Å
196	V	97.8	Very high	96	Very high	13 Å²	13	63.2 Å²	63.2	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-42.4	176.1	168.4	0	0	0	0	111.2	I46 Q192 E193 V199 K200 V221	I46-V196 HydrophobicContact CD1-CB 4.47Å; I46-V196 HydrophobicContact CD1-CG2 3.58Å; Q192-V196 WeakPolarHBondContact O-CG2 3.23Å; Q192-V196 PolarHBondContact O-N 3.39Å; E193-V196 PolarHBondContact O-N 3.22Å; V196-V199 PolarHBondContact O-N 3.05Å; V196-K200 WeakPolarHBondContact O-CG 3.47Å; V196-K200 PolarHBondContact O-N 3.41Å; V196-K200 VanDerWaalsContact O-N 3.13Å; V196-V221 HydrophobicContact CG2-CG2 3.91Å
197	Q	97.9	Very high	96.4	Very high	88 Å²	88	56.6 Å²	56.6	41%	0.411	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-45	177.3	-173.2	57.6	37.5	0	0	111.7	E193 K194 A195 V199 K200 D201	E193-Q197 WeakPolarHBondContact O-CB 3.42Å; E193-Q197 PolarHBondContact O-N 3.43Å; K194-Q197 PolarHBondContact O-N 3.43Å; A195-Q197 VanDerWaalsContact C-N 3.34Å; A195-Q197 PolarHBondContact O-N 3.18Å; Q197-V199 VanDerWaalsContact C-N 3.3Å; Q197-V199 PolarHBondContact O-N 3.41Å; Q197-K200 WeakPolarHBondContact O-CB 3.42Å; Q197-K200 PolarHBondContact O-N 3.08Å; Q197-D201 PolarHBondContact NE2-OD1 3.28Å; Q197-D201 VanDerWaalsContact O-CG 3.31Å; Q197-D201 PolarHBondContact O-N 3.09Å
198	L	97.6	Very high	96.9	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.094	29%	0.288	C	S	.	.	H	α-helix	trans	-57.8	-44	176.2	-179.8	62.2	0	0	0	111.2	L173 Q176 I177 K194 A195 K200 D201 V202	L173-L198 HydrophobicContact CD2-CD2 4.14Å; L173-L198 HydrophobicContact CD2-CG 4.48Å; Q176-L198 HydrophobicContact CB-CD1 3.95Å; Q176-L198 HydrophobicContact CB-CD2 3.85Å; Q176-L198 HydrophobicContact CG-CD1 3.9Å; I177-L198 HydrophobicContact CD1-CD2 3.79Å; I177-L198 HydrophobicContact CG1-CD2 3.62Å; K194-L198 WeakPolarHBondContact O-CB 3.44Å; K194-L198 PolarHBondContact O-N 3.12Å; A195-L198 PolarHBondContact O-N 3.44Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.48Å; L198-D201 PolarHBondContact O-N 3.32Å; L198-V202 HydrophobicContact CD1-CG1 3.85Å; L198-V202 HydrophobicContact CG-CG1 4.22Å; L198-V202 WeakPolarHBondContact O-CG1 3.46Å; L198-V202 WeakPolarHBondContact O-CG2 3.41Å; L198-V202 PolarHBondContact O-N 3.1Å
199	V	98.1	Very high	97.3	Very high	1 Å²	1	59 Å²	59	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-56.5	-45.1	174.6	169	0	0	0	0	111	L37 I46 A48 A195 V196 Q197 V202 F203 L217 V219	L37-V199 HydrophobicContact CD2-CB 4.4Å; L37-V199 HydrophobicContact CD2-CG1 4.31Å; L37-V199 HydrophobicContact CD2-CG2 3.84Å; I46-V199 HydrophobicContact CG2-CG2 4.2Å; A48-V199 HydrophobicContact CB-CG1 3.56Å; A195-V199 VanDerWaalsContact O-CG2 3.27Å; A195-V199 WeakPolarHBondContact O-CG2 3.43Å; A195-V199 PolarHBondContact O-N 2.82Å; V196-V199 PolarHBondContact O-N 3.05Å; Q197-V199 VanDerWaalsContact C-N 3.3Å; Q197-V199 PolarHBondContact O-N 3.41Å; V199-V202 WeakPolarHBondContact O-CG2 3.4Å; V199-F203 HydrophobicContact CG1-CD2 4.03Å; V199-F203 HydrophobicContact CG1-CE2 4.19Å; V199-F203 VanDerWaalsContact O-CD2 3.29Å; V199-F203 WeakPolarHBondContact O-CD2 3.45Å; V199-F203 PolarHBondContact O-N 3.31Å; V199-L217 HydrophobicContact CG1-CD2 4.36Å; V199-V219 HydrophobicContact CG1-CG2 4.21Å
200	K	98	Very high	97.6	Very high	55 Å²	55	54.7 Å²	54.7	24%	0.239	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-49.6	176.7	-64.1	175.1	-162	178	0	111.5	V196 Q197 L198 V202 F203 I204 I232	V196-K200 WeakPolarHBondContact O-CG 3.47Å; V196-K200 PolarHBondContact O-N 3.41Å; V196-K200 VanDerWaalsContact O-N 3.13Å; Q197-K200 WeakPolarHBondContact O-CB 3.42Å; Q197-K200 PolarHBondContact O-N 3.08Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.48Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 3.18Å; K200-F203 PolarHBondContact O-N 3.45Å; K200-I204 VanDerWaalsContact O-CG1 3.26Å; K200-I204 WeakPolarHBondContact O-CG1 3.34Å; K200-I204 PolarHBondContact O-N 2.82Å; K200-I232 HydrophobicContact CD-CD1 3.7Å; K200-I232 HydrophobicContact CG-CD1 3.56Å
201	D	98.3	Very high	97.8	Very high	70 Å²	70	58.2 Å²	58.2	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-41.2	-174.3	-63.6	-21.7	0	0	0	111.7	Q197 L198 S205	Q197-D201 PolarHBondContact NE2-OD1 3.28Å; Q197-D201 VanDerWaalsContact O-CG 3.31Å; Q197-D201 PolarHBondContact O-N 3.09Å; L198-D201 PolarHBondContact O-N 3.32Å; D201-S205 WeakPolarHBondContact O-CB 3.2Å; D201-S205 PolarHBondContact O-N 2.85Å; D201-S205 PolarHBondContact O-OG 2.92Å
202	V	98.3	Very high	97.8	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-70.4	-35.9	-180	-53.4	0	0	0	0	112.2	L37 L169 L172 L198 V199 K200 S205 A206	L37-V202 HydrophobicContact CD2-CG2 3.81Å; L169-V202 HydrophobicContact CD2-CB 3.69Å; L169-V202 HydrophobicContact CD2-CG2 3.76Å; L169-V202 WeakPolarHBondContact CD2-O 3.17Å; L172-V202 HydrophobicContact CD2-CB 4.12Å; L172-V202 HydrophobicContact CD2-CG1 3.37Å; L172-V202 HydrophobicContact CG-CG1 3.89Å; L198-V202 HydrophobicContact CD1-CG1 3.85Å; L198-V202 HydrophobicContact CG-CG1 4.22Å; L198-V202 WeakPolarHBondContact O-CG1 3.46Å; L198-V202 WeakPolarHBondContact O-CG2 3.41Å; L198-V202 PolarHBondContact O-N 3.1Å; V199-V202 WeakPolarHBondContact O-CG2 3.4Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 3.18Å; V202-S205 PolarHBondContact O-N 3.27Å; V202-A206 VanDerWaalsContact O-CB 3.27Å; V202-A206 WeakPolarHBondContact O-CB 3.26Å; V202-A206 PolarHBondContact O-N 2.89Å
203	F	98.5	Very high	97.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-73.4	-37.6	176.4	-90.4	-86.9	0	0	0	112.6	T35 L37 A48 D50 L169 V199 K200 S205 A206 A207 T213 L217 L234	T35-F203 HydrophobicContact CG2-CE1 3.88Å; T35-F203 HydrophobicContact CG2-CZ 4.09Å; L37-F203 HydrophobicContact CB-CE2 3.7Å; L37-F203 HydrophobicContact CB-CZ 4Å; L37-F203 HydrophobicContact CD2-CD2 4.3Å; L37-F203 HydrophobicContact CD2-CE2 3.78Å; L37-F203 HydrophobicContact CG-CE2 4.39Å; A48-F203 HydrophobicContact CB-CE2 3.99Å; A48-F203 HydrophobicContact CB-CZ 4.45Å; D50-F203 HydrophobicContact CB-CE1 4.32Å; L169-F203 HydrophobicContact CD1-CZ 4.48Å; V199-F203 HydrophobicContact CG1-CD2 4.03Å; V199-F203 HydrophobicContact CG1-CE2 4.19Å; V199-F203 VanDerWaalsContact O-CD2 3.29Å; V199-F203 WeakPolarHBondContact O-CD2 3.45Å; V199-F203 PolarHBondContact O-N 3.31Å; K200-F203 PolarHBondContact O-N 3.45Å; F203-S205 VanDerWaalsContact C-N 3.32Å; F203-A206 PolarHBondContact O-N 3.44Å; F203-A207 WeakPolarHBondContact O-CB 3.36Å; F203-A207 PolarHBondContact O-N 3.4Å; F203-T213 HydrophobicContact CD1-CG2 3.96Å; F203-T213 HydrophobicContact CE1-CG2 4.42Å; F203-L217 HydrophobicContact CB-CD1 4.24Å; F203-L217 HydrophobicContact CB-CD2 3.86Å; F203-L217 HydrophobicContact CD1-CD1 3.68Å; F203-L217 HydrophobicContact CD2-CD1 3.62Å; F203-L217 HydrophobicContact CD2-CD2 4.12Å; F203-L217 HydrophobicContact CE1-CD1 3.8Å; F203-L217 HydrophobicContact CE2-CD1 3.74Å; F203-L217 HydrophobicContact CG-CD1 3.58Å; F203-L217 HydrophobicContact CG-CD2 4.05Å; F203-L217 HydrophobicContact CG-CG 4.41Å; F203-L217 HydrophobicContact CZ-CD1 3.83Å; F203-L234 HydrophobicContact CB-CD1 4.47Å; F203-L234 HydrophobicContact CB-CD2 4.47Å
204	I	98.3	Very high	97.9	Very high	85 Å²	85	48.5 Å²	48.5	44%	0.436	24%	0.237	S	C	.	.	H	α-helix	trans	-58.7	-49.2	171.3	-69.4	164.7	0	0	0	109.2	K200 A206 A207 E208 L234	K200-I204 VanDerWaalsContact O-CG1 3.26Å; K200-I204 WeakPolarHBondContact O-CG1 3.34Å; K200-I204 PolarHBondContact O-N 2.82Å; I204-A206 PolarHBondContact O-N 3.15Å; I204-A207 PolarHBondContact O-N 2.87Å; I204-E208 PolarHBondContact O-N 3.19Å; I204-L234 HydrophobicContact CG1-CD2 3.95Å
205	S	98.3	Very high	97.9	Very high	70 Å²	70	44 Å²	44	49%	0.49	22%	0.218	S	C	.	.	H	α-helix	trans	-64.3	-39	-179.9	-56.7	0	0	0	0	112.9	D201 V202 F203 E208	D201-S205 WeakPolarHBondContact O-CB 3.2Å; D201-S205 PolarHBondContact O-N 2.85Å; D201-S205 PolarHBondContact O-OG 2.92Å; V202-S205 PolarHBondContact O-N 3.27Å; F203-S205 VanDerWaalsContact C-N 3.32Å; S205-E208 WeakPolarHBondContact O-CB 3.24Å; S205-E208 PolarHBondContact O-N 3.14Å
206	A	98.3	Very high	98	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-41.2	177.5	0	0	0	0	0	111.9	A165 L169 V202 F203 I204 E208 R209 D210	A165-A206 HydrophobicContact CB-CB 4.13Å; L169-A206 HydrophobicContact CD2-CB 3.8Å; V202-A206 VanDerWaalsContact O-CB 3.27Å; V202-A206 WeakPolarHBondContact O-CB 3.26Å; V202-A206 PolarHBondContact O-N 2.89Å; F203-A206 PolarHBondContact O-N 3.44Å; I204-A206 PolarHBondContact O-N 3.15Å; A206-E208 PolarHBondContact O-N 3.12Å; A206-R209 PolarHBondContact O-N 3.37Å; A206-D210 PolarHBondContact O-N 2.98Å
207	A	98	Very high	98	Very high	11 Å²	11	44 Å²	44	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-23.7	178.7	0	0	0	0	0	113	F203 I204 R209 T213 R235	F203-A207 WeakPolarHBondContact O-CB 3.36Å; F203-A207 PolarHBondContact O-N 3.4Å; I204-A207 PolarHBondContact O-N 2.87Å; A207-R209 PolarHBondContact O-N 3.04Å; A207-T213 HydrophobicContact CB-CG2 4.37Å; A207-R235 HydrophobicContact CB-CG 4.06Å
208	E	98.2	Very high	98	Very high	106 Å²	106	42 Å²	42	50%	0.495	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.7	173.6	-64.9	-63	120.8	0	0	113.6	I204 S205 A206 R235	I204-E208 PolarHBondContact O-N 3.19Å; S205-E208 WeakPolarHBondContact O-CB 3.24Å; S205-E208 PolarHBondContact O-N 3.14Å; A206-E208 PolarHBondContact O-N 3.12Å; E208-R235 WeakPolarHBondContact OE1-CD 3.17Å; E208-R235 IonicContact OE1-CZ 3.37Å; E208-R235 IonicContact OE1-NE 3.87Å; E208-R235 IonicContact OE1-NH1 3.9Å; E208-R235 PolarHBondContact OE1-NH1 2.65Å; E208-R235 IonicContact OE2-CZ 3.52Å; E208-R235 IonicContact OE2-NH1 2.75Å; E208-R235 PolarHBondContact OE2-NH1 3.03Å
209	R	98	Very high	98.1	Very high	206 Å²	206	41.1 Å²	41.1	78%	0.777	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125.2	-33.6	-169.7	-63.3	-60.1	-174.3	-179.7	-0.6	113.9	M168 A206 A207	M168-R209 HydrophobicContact CE-CB 4.12Å; M168-R209 HydrophobicContact SD-CB 3.93Å; A206-R209 PolarHBondContact O-N 3.37Å; A207-R209 PolarHBondContact O-N 3.04Å
210	D	98.2	Very high	98.1	Very high	15 Å²	15	41.2 Å²	41.2	8%	0.08	20%	0.204	C	C	.	.			trans	-92.9	122.3	176	-177.2	30.1	0	0	0	110.7	S164 A165 M168 A206 Y212 T213	S164-D210 WeakPolarHBondContact CB-OD2 3.47Å; S164-D210 PolarHBondContact OG-OD2 2.62Å; A165-D210 HydrophobicContact CB-CB 4.05Å; M168-D210 HydrophobicContact CE-CB 3.94Å; M168-D210 HydrophobicContact SD-CB 3.96Å; A206-D210 PolarHBondContact O-N 2.98Å; D210-Y212 VanDerWaalsContact C-N 3.25Å; D210-Y212 PolarHBondContact O-N 2.71Å; D210-Y212 WeakPolarHBondContact OD1-CD2 3.36Å; D210-Y212 PolarHBondContact OD1-N 2.88Å; D210-T213 PolarHBondContact OD2-N 3.32Å; D210-T213 PolarHBondContact OD2-OG1 3.45Å
211	V	97.7	Very high	98.1	Very high	107 Å²	107	38.8 Å²	38.8	65%	0.648	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.4	-179.2	-61.6	0	0	0	0	113.1	R52	R52-V211 PolarHBondContact NH1-O 2.88Å
212	Y	98	Very high	98.1	Very high	63 Å²	63	35.4 Å²	35.4	25%	0.247	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.3	-178.5	-63.1	-72	0	0	0	113.6	F31 S54 S164 D210	F31-Y212 HydrophobicContact CD1-CE1 4.18Å; F31-Y212 HydrophobicContact CE1-CD1 4.19Å; F31-Y212 HydrophobicContact CE1-CD2 4.05Å; F31-Y212 HydrophobicContact CE1-CE1 4.08Å; F31-Y212 AromaticContact CE1-CE2 3.93Å; F31-Y212 HydrophobicContact CE1-CE2 3.93Å; F31-Y212 HydrophobicContact CE1-CG 4.18Å; F31-Y212 AromaticContact CE1-CZ 3.94Å; S54-Y212 WeakPolarHBondContact OG-CD1 3.36Å; S164-Y212 WeakPolarHBondContact OG-CB 3.37Å; D210-Y212 VanDerWaalsContact C-N 3.25Å; D210-Y212 PolarHBondContact O-N 2.71Å; D210-Y212 WeakPolarHBondContact OD1-CD2 3.36Å; D210-Y212 PolarHBondContact OD1-N 2.88Å
213	T	98.1	Very high	98.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	18%	0.184	C	C	.	.	S	Bend	trans	-100.2	119.4	-179.1	-62.6	0	0	0	0	109.7	T35 D50 F203 A207 D210	T35-T213 PolarHBondContact OG1-OG1 3.32Å; D50-T213 HydrophobicContact CB-CG2 4.17Å; F203-T213 HydrophobicContact CD1-CG2 3.96Å; F203-T213 HydrophobicContact CE1-CG2 4.42Å; A207-T213 HydrophobicContact CB-CG2 4.37Å; D210-T213 PolarHBondContact OD2-N 3.32Å; D210-T213 PolarHBondContact OD2-OG1 3.45Å
214	G	95.8	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.			trans	-179.2	-168.4	178.3	0	0	0	0	0	117.4	A216	G214-A216 VanDerWaalsContact C-N 3.34Å; G214-A216 PolarHBondContact O-N 3.23Å
215	D	97.7	Very high	97.8	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.037	24%	0.235	C	C	.	.	S	Bend	trans	66	-69.2	176.9	-56	-54.2	0	0	0	115.6	R52 R62 L234 R235	R52-D215 WeakPolarHBondContact CB-OD2 3.42Å; R52-D215 IonicContact CZ-OD1 3.67Å; R52-D215 IonicContact CZ-OD2 2.61Å; R52-D215 IonicContact NE-OD1 3.55Å; R52-D215 IonicContact NE-OD2 3.17Å; R52-D215 PolarHBondContact NE-OD2 3.48Å; R52-D215 IonicContact NH2-OD1 2.67Å; R52-D215 PolarHBondContact NH2-OD1 3.47Å; R52-D215 IonicContact NH2-OD2 3.11Å; R52-D215 PolarHBondContact NH2-OD2 2.96Å; R62-D215 HydrophobicContact CB-CB 3.97Å; R62-D215 WeakPolarHBondContact CD-OD1 3.36Å; R62-D215 WeakPolarHBondContact CG-OD2 3.28Å; R62-D215 IonicContact NE-OD1 4Å; R62-D215 WeakPolarHBondContact O-CB 3.47Å; D215-L234 PolarHBondContact O-N 3.02Å; D215-R235 WeakPolarHBondContact CA-O 3.35Å; D215-R235 PolarHBondContact N-O 3.34Å
216	A	98.1	Very high	97.6	Very high	16 Å²	16	45.4 Å²	45.4	13%	0.132	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.9	175.2	0	0	0	0	0	111.2	D50 T51 G214 T231 I232	D50-A216 CarbonylContact C-O 3.6Å; D50-A216 VanDerWaalsContact CA-O 3.28Å; D50-A216 WeakPolarHBondContact CA-O 3.2Å; T51-A216 HydrophobicContact CG2-CB 4Å; T51-A216 PolarHBondContact N-O 3.02Å; T51-A216 WeakPolarHBondContact OG1-CB 3.27Å; T51-A216 PolarHBondContact OG1-N 3.23Å; T51-A216 VanDerWaalsContact OG1-N 3.14Å; T51-A216 PolarHBondContact OG1-O 3.09Å; G214-A216 VanDerWaalsContact C-N 3.34Å; G214-A216 PolarHBondContact O-N 3.23Å; A216-T231 HydrophobicContact CB-CG2 4Å; A216-I232 CarbonylContact C-O 3.54Å; A216-I232 WeakPolarHBondContact CA-O 3.28Å
217	L	98.4	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.6	178.3	174.5	62.3	0	0	0	108.4	A48 V199 F203 V219 T231 I232 L234	A48-L217 HydrophobicContact CB-CD1 4.12Å; V199-L217 HydrophobicContact CG1-CD2 4.36Å; F203-L217 HydrophobicContact CB-CD1 4.24Å; F203-L217 HydrophobicContact CB-CD2 3.86Å; F203-L217 HydrophobicContact CD1-CD1 3.68Å; F203-L217 HydrophobicContact CD2-CD1 3.62Å; F203-L217 HydrophobicContact CD2-CD2 4.12Å; F203-L217 HydrophobicContact CE1-CD1 3.8Å; F203-L217 HydrophobicContact CE2-CD1 3.74Å; F203-L217 HydrophobicContact CG-CD1 3.58Å; F203-L217 HydrophobicContact CG-CD2 4.05Å; F203-L217 HydrophobicContact CG-CG 4.41Å; F203-L217 HydrophobicContact CZ-CD1 3.83Å; L217-V219 HydrophobicContact CD1-CG2 4.44Å; L217-V219 HydrophobicContact CD2-CG2 3.99Å; L217-V219 HydrophobicContact CG-CG2 3.79Å; L217-T231 CarbonylContact O-C 3.53Å; L217-T231 WeakPolarHBondContact O-CA 3.16Å; L217-I232 HydrophobicContact CB-CB 4.35Å; L217-I232 PolarHBondContact N-O 3.06Å; L217-I232 PolarHBondContact O-N 2.98Å; L217-L234 HydrophobicContact CB-CD1 4.08Å; L217-L234 HydrophobicContact CB-CD2 4.44Å; L217-L234 HydrophobicContact CB-CG 4.1Å
218	R	98.6	Very high	97.6	Very high	45 Å²	45	51 Å²	51	17%	0.17	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.1	168.3	178.5	59.4	59.4	84	12	108.5	A48 S49 P65 C67 E229 T231	A48-R218 CarbonylContact C-O 3.51Å; A48-R218 WeakPolarHBondContact CA-O 3.49Å; S49-R218 PolarHBondContact N-O 3.21Å; S49-R218 PolarHBondContact O-N 3.12Å; P65-R218 HydrophobicContact CB-CB 4.34Å; P65-R218 HydrophobicContact CB-CG 4.42Å; C67-R218 HydrophobicContact CB-CG 4.32Å; R218-E229 IonicContact CZ-OE2 3.36Å; R218-E229 IonicContact NE-OE2 3.91Å; R218-E229 IonicContact NH1-OE2 2.67Å; R218-E229 PolarHBondContact NH1-OE2 3.04Å; R218-T231 PolarHBondContact NE-OG1 2.94Å
219	V	98.4	Very high	97.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.9	174.6	-173.9	0	0	0	0	108.5	I46 A48 V199 L217 V221 E229 Q230 I232	I46-V219 HydrophobicContact CG2-CG1 3.72Å; A48-V219 HydrophobicContact CB-CG2 4.22Å; V199-V219 HydrophobicContact CG1-CG2 4.21Å; L217-V219 HydrophobicContact CD1-CG2 4.44Å; L217-V219 HydrophobicContact CD2-CG2 3.99Å; L217-V219 HydrophobicContact CG-CG2 3.79Å; V219-V221 HydrophobicContact CG1-CG2 4.19Å; V219-E229 WeakPolarHBondContact O-CA 3.47Å; V219-Q230 PolarHBondContact N-O 3.31Å; V219-Q230 PolarHBondContact O-N 3.31Å; V219-I232 HydrophobicContact CG2-CD1 4.13Å
220	C	98.6	Very high	97.5	Very high	3 Å²	3	44 Å²	44	2%	0.02	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.7	173.9	-55.5	0	0	0	0	108.3	I46 V47 C67 V75 I227	I46-C220 WeakPolarHBondContact CA-O 3.36Å; V47-C220 PolarHBondContact N-O 2.62Å; V47-C220 WeakPolarHBondContact O-CB 3.38Å; V47-C220 PolarHBondContact O-N 2.79Å; C67-C220 VanDerWaalsContact CB-SG 3.58Å; V75-C220 HydrophobicContact CG1-CB 4.4Å; V75-C220 HydrophobicContact CG2-CB 4.3Å; C220-I227 HydrophobicContact CB-CG2 4.23Å
221	V	98.5	Very high	97.5	Very high	3 Å²	3	47 Å²	47	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.3	174.1	-173	0	0	0	0	108.2	I46 Q192 V196 V219 T223 I227 N228	I46-V221 HydrophobicContact CG1-CG1 4.43Å; I46-V221 HydrophobicContact CG1-CG2 4.38Å; Q192-V221 HydrophobicContact CG-CG1 4Å; V196-V221 HydrophobicContact CG2-CG2 3.91Å; V219-V221 HydrophobicContact CG1-CG2 4.19Å; V221-T223 HydrophobicContact CG1-CG2 4.27Å; V221-I227 CarbonylContact O-C 3.6Å; V221-I227 WeakPolarHBondContact O-CA 3.45Å; V221-N228 PolarHBondContact N-O 2.91Å; V221-N228 PolarHBondContact O-N 2.97Å
222	I	98.5	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.9	-173.6	-49.8	166.7	0	0	0	107.2	F44 A45 V47 V75 G135 L137 I227	F44-I222 CarbonylContact C-O 3.6Å; F44-I222 VanDerWaalsContact CA-O 3.23Å; F44-I222 WeakPolarHBondContact CA-O 3.34Å; A45-I222 HydrophobicContact CB-CB 4.34Å; A45-I222 HydrophobicContact CB-CD1 4.26Å; A45-I222 PolarHBondContact N-O 2.88Å; A45-I222 WeakPolarHBondContact O-CB 3.2Å; A45-I222 PolarHBondContact O-N 2.79Å; V47-I222 HydrophobicContact CG2-CD1 4.11Å; V75-I222 HydrophobicContact CB-CD1 3.85Å; V75-I222 HydrophobicContact CG2-CD1 3.66Å; V75-I222 HydrophobicContact CG2-CG1 3.97Å; G135-I222 VanDerWaalsContact O-CD1 3.25Å; G135-I222 WeakPolarHBondContact O-CD1 3.17Å; L137-I222 HydrophobicContact CG-CG2 4.31Å; I222-I227 HydrophobicContact CB-CG1 4.5Å; I222-I227 HydrophobicContact CG1-CG1 4.22Å; I222-I227 HydrophobicContact CG2-CG1 4.17Å
223	T	97.8	Very high	97.4	Very high	30 Å²	30	45.3 Å²	45.3	18%	0.184	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	176.1	174.5	71.3	0	0	0	0	109.5	F44 L137 V221 D225 G226	F44-T223 HydrophobicContact CB-CG2 4.13Å; L137-T223 VanDerWaalsContact CD1-C 3.44Å; V221-T223 HydrophobicContact CG1-CG2 4.27Å; T223-D225 PolarHBondContact O-N 3.31Å; T223-D225 PolarHBondContact OG1-N 3.31Å; T223-G226 PolarHBondContact N-O 2.96Å; T223-G226 PolarHBondContact O-N 2.62Å; T223-G226 VanDerWaalsContact O-N 3.17Å
224	K	95.6	Very high	97.4	Very high	171 Å²	171	46 Å²	46	74%	0.743	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25	174.7	69.2	-174.8	-177.9	-174.7	0	113.4	L137 G226	L137-K224 HydrophobicContact CD1-CB 4.49Å; K224-G226 VanDerWaalsContact C-N 3.35Å
225	D	95.4	Very high	97.4	Very high	142 Å²	142	50.4 Å²	50.4	76%	0.759	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-11.5	-177.1	-55	-48.3	0	0	0	112.1	T223	T223-D225 PolarHBondContact O-N 3.31Å; T223-D225 PolarHBondContact OG1-N 3.31Å
226	G	94.8	Very high	97.3	Very high	23 Å²	23	56.6 Å²	56.6	24%	0.237	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	137.8	-159.5	175.3	0	0	0	0	0	113.4	T223 K224	T223-G226 PolarHBondContact N-O 2.96Å; T223-G226 PolarHBondContact O-N 2.62Å; T223-G226 VanDerWaalsContact O-N 3.17Å; K224-G226 VanDerWaalsContact C-N 3.35Å
227	I	98	Very high	96.9	Very high	34 Å²	34	61.7 Å²	61.7	17%	0.174	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120	-178.3	-60.5	167.9	0	0	0	108.7	K69 T71 D72 V75 C220 V221 I222 E229	K69-I227 HydrophobicContact CD-CD1 3.82Å; K69-I227 HydrophobicContact CG-CD1 3.76Å; T71-I227 WeakPolarHBondContact O-CD1 3.26Å; D72-I227 WeakPolarHBondContact O-CD1 3.25Å; D72-I227 WeakPolarHBondContact O-CG1 3.46Å; V75-I227 HydrophobicContact CG2-CD1 3.75Å; V75-I227 HydrophobicContact CG2-CG1 4.49Å; V75-I227 HydrophobicContact CG2-CG2 4.29Å; C220-I227 HydrophobicContact CB-CG2 4.23Å; V221-I227 CarbonylContact O-C 3.6Å; V221-I227 WeakPolarHBondContact O-CA 3.45Å; I222-I227 HydrophobicContact CB-CG1 4.5Å; I222-I227 HydrophobicContact CG1-CG1 4.22Å; I222-I227 HydrophobicContact CG2-CG1 4.17Å; I227-E229 HydrophobicContact CG2-CG 4.37Å
228	N	97.4	Very high	96.8	Very high	97 Å²	97	64.8 Å²	64.8	52%	0.519	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.7	174.4	-171.9	-13.6	0	0	0	109.7	V221	V221-N228 PolarHBondContact N-O 2.91Å; V221-N228 PolarHBondContact O-N 2.97Å
229	E	97.4	Very high	96.7	Very high	95 Å²	95	65.8 Å²	65.8	44%	0.444	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.6	179.9	-63.9	-173.1	-159.3	0	0	111.1	R218 V219 I227	R218-E229 IonicContact CZ-OE2 3.36Å; R218-E229 IonicContact NE-OE2 3.91Å; R218-E229 IonicContact NH1-OE2 2.67Å; R218-E229 PolarHBondContact NH1-OE2 3.04Å; V219-E229 WeakPolarHBondContact O-CA 3.47Å; I227-E229 HydrophobicContact CG2-CG 4.37Å
230	Q	96.5	Very high	96.6	Very high	70 Å²	70	69.5 Å²	69.5	33%	0.327	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.5	174.4	-61	176.6	35.8	0	0	108.9	V219	V219-Q230 PolarHBondContact N-O 3.31Å; V219-Q230 PolarHBondContact O-N 3.31Å
231	T	97.7	Very high	96.5	Very high	80 Å²	80	73.4 Å²	73.4	49%	0.491	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.6	173.6	-57.8	0	0	0	0	109	A216 L217 R218	A216-T231 HydrophobicContact CB-CG2 4Å; L217-T231 CarbonylContact O-C 3.53Å; L217-T231 WeakPolarHBondContact O-CA 3.16Å; R218-T231 PolarHBondContact NE-OG1 2.94Å
232	I	97	Very high	96.4	Very high	32 Å²	32	77.8 Å²	77.8	16%	0.164	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.4	-173.8	-55.7	169.6	0	0	0	107.8	K200 A216 L217 V219	K200-I232 HydrophobicContact CD-CD1 3.7Å; K200-I232 HydrophobicContact CG-CD1 3.56Å; A216-I232 CarbonylContact C-O 3.54Å; A216-I232 WeakPolarHBondContact CA-O 3.28Å; L217-I232 HydrophobicContact CB-CB 4.35Å; L217-I232 PolarHBondContact N-O 3.06Å; L217-I232 PolarHBondContact O-N 2.98Å; V219-I232 HydrophobicContact CG2-CD1 4.13Å
233	P	97.8	Very high	96.3	Very high	101 Å²	101	83 Å²	83	66%	0.656	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	139.5	177.8	28.4	-33.9	0	0	0	111
234	L	97.9	Very high	96.2	Very high	18 Å²	18	86.8 Å²	86.8	9%	0.094	44%	0.444	C	S	.	.			trans	-109.1	-177.7	165.7	-63.6	178.1	0	0	0	109.2	F203 I204 D215 L217	F203-L234 HydrophobicContact CB-CD1 4.47Å; F203-L234 HydrophobicContact CB-CD2 4.47Å; I204-L234 HydrophobicContact CG1-CD2 3.95Å; D215-L234 PolarHBondContact O-N 3.02Å; L217-L234 HydrophobicContact CB-CD1 4.08Å; L217-L234 HydrophobicContact CB-CD2 4.44Å; L217-L234 HydrophobicContact CB-CG 4.1Å
235	R	95.6	Very high	96.2	Very high	92 Å²	92	80.3 Å²	80.3	35%	0.347	42%	0.421	S	S	.	.			trans	-62.6	152.1	170.8	65.9	-173.7	-65.1	167.1	-3.9	111.5	A207 E208 D215 D237	A207-R235 HydrophobicContact CB-CG 4.06Å; E208-R235 WeakPolarHBondContact OE1-CD 3.17Å; E208-R235 IonicContact OE1-CZ 3.37Å; E208-R235 IonicContact OE1-NE 3.87Å; E208-R235 IonicContact OE1-NH1 3.9Å; E208-R235 PolarHBondContact OE1-NH1 2.65Å; E208-R235 IonicContact OE2-CZ 3.52Å; E208-R235 IonicContact OE2-NH1 2.75Å; E208-R235 PolarHBondContact OE2-NH1 3.03Å; D215-R235 WeakPolarHBondContact CA-O 3.35Å; D215-R235 PolarHBondContact N-O 3.34Å; R235-D237 WeakPolarHBondContact CB-OD1 3.4Å; R235-D237 WeakPolarHBondContact CD-OD1 3.4Å; R235-D237 VanDerWaalsContact CG-OD1 3.25Å; R235-D237 WeakPolarHBondContact CG-OD1 2.82Å; R235-D237 IonicContact CZ-OD1 2.8Å; R235-D237 IonicContact CZ-OD2 3.95Å; R235-D237 IonicContact NE-OD1 2.82Å; R235-D237 PolarHBondContact NE-OD1 3.31Å; R235-D237 IonicContact NE-OD2 3.94Å; R235-D237 PolarHBondContact NE-OD2 3.41Å; R235-D237 VanDerWaalsContact NE-OD2 3.11Å; R235-D237 IonicContact NH2-OD1 3.72Å; R235-D237 IonicContact NH2-OD2 2.67Å; R235-D237 PolarHBondContact NH2-OD2 3.42Å
236	K	96.3	Very high	96.3	Very high	136 Å²	136	75.2 Å²	75.2	59%	0.591	39%	0.392	S	S	*	.			trans	-120.5	7.2	-166.2	-67.5	-172.4	179.6	-178.1	0	114.7	R62	R62-K236 PolarHBondContact NH1-O 3.36Å; R62-K236 PolarHBondContact NH2-O 3.23Å
237	D	89	Confident	96.4	Very high	124 Å²	124	79.9 Å²	79.9	66%	0.663	41%	0.406	S	S	*	.			trans	-77.7	0	177.4	61.4	-49.4	0	0	0	112.9	R52 R235	R52-D237 VanDerWaalsContact CZ-O 3.25Å; R52-D237 PolarHBondContact NH1-O 3.46Å; R52-D237 PolarHBondContact NH2-O 3.34Å; R235-D237 WeakPolarHBondContact CB-OD1 3.4Å; R235-D237 WeakPolarHBondContact CD-OD1 3.4Å; R235-D237 VanDerWaalsContact CG-OD1 3.25Å; R235-D237 WeakPolarHBondContact CG-OD1 2.82Å; R235-D237 IonicContact CZ-OD1 2.8Å; R235-D237 IonicContact CZ-OD2 3.95Å; R235-D237 IonicContact NE-OD1 2.82Å; R235-D237 PolarHBondContact NE-OD1 3.31Å; R235-D237 IonicContact NE-OD2 3.94Å; R235-D237 PolarHBondContact NE-OD2 3.41Å; R235-D237 VanDerWaalsContact NE-OD2 3.11Å; R235-D237 IonicContact NH2-OD1 3.72Å; R235-D237 IonicContact NH2-OD2 2.67Å; R235-D237 PolarHBondContact NH2-OD2 3.42Å

Retrieved 237 of 237 residues in 219.5 ms (Link to these results)

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