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B-cell receptor CD22

Most highly expressed siglec (sialic acid-binding immunoglobulin-like lectin) on B-cells that plays a role in various aspects of B-cell biology including differentiation, antigen presentation, and trafficking to bone marrow. Binds to alpha 2,6-linked sialic acid residues of surface molecules such as CD22 itself, CD45 and IgM in a cis configuration. Can also bind to ligands on other cells as an adhesion molecule in a trans configuration. Acts as an inhibitory coreceptor on the surface of B-cells and inhibits B-cell receptor induced signaling, characterized by inhibition of the calcium mobilization and cellular activation. Mechanistically, the immunoreceptor tyrosine-based inhibitory motif domain is phosphorylated by the Src kinase LYN, which in turn leads to the recruitment of the protein tyrosine phosphatase 1/PTPN6, leading to the negative regulation of BCR signaling. If this negative signaling from is of sufficient strength, apoptosis of the B-cell can be induced.

AlphaFold DB , UniProt , Accession A0A087WR96, Species MOUSE (Mus musculus, Mouse), Gene Cd22, Length 353 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.8	Very low	35.2	Very low	246 Å²	246	180 Å²	180	100%	1.212	85%	0.846	S	S	*	*				0	105.2	0	-81.1	162.5	150.7	0	0	108.1
2	R	34.4	Very low	35.3	Very low	233 Å²	233	177.6 Å²	177.6	88%	0.879	84%	0.842	S	S	*	*			trans	-88.1	132.7	177	-80.6	176.6	170.8	172.6	-4.1	108.3
3	V	34.1	Very low	35.1	Very low	123 Å²	123	168.5 Å²	168.5	75%	0.745	83%	0.825	S	S	*	*			trans	-132.4	106.2	157.4	-177	0	0	0	0	107.2	Y5	V3-Y5 HydrophobicContact CG1-CE2 4.35Å
4	H	33.5	Very low	35	Very low	161 Å²	161	169.8 Å²	169.8	75%	0.745	83%	0.827	S	S	*	*			trans	-81.1	125	167.7	-87.8	4.5	0	0	0	108.3	L6	H4-L6 PolarHBondContact O-N 3.23Å
5	Y	34.4	Very low	34.9	Very low	204 Å²	204	167.6 Å²	167.6	80%	0.8	83%	0.827	S	S	*	*			trans	-86.7	100.5	163.6	-87.9	-88.6	0	0	0	108.5	V3	V3-Y5 HydrophobicContact CG1-CE2 4.35Å
6	L	34.1	Very low	34.8	Very low	142 Å²	142	162.5 Å²	162.5	74%	0.743	82%	0.82	S	S	*	*			trans	-74.4	119.2	163.8	-98.6	94.6	0	0	0	108.7	H4 L8	H4-L6 PolarHBondContact O-N 3.23Å; L6-L8 PolarHBondContact O-N 3.01Å
7	W	35.4	Very low	34.7	Very low	248 Å²	248	159.4 Å²	159.4	94%	0.939	82%	0.817	S	S	*	*			trans	-78.8	109.2	163.6	-81.5	58.8	0	0	0	108.7
8	L	34	Very low	34.6	Very low	150 Å²	150	155.5 Å²	155.5	79%	0.785	81%	0.813	S	S	*	*			trans	-83.3	110.8	170.8	-100	145.6	0	0	0	109.1	L6 L10	L6-L8 PolarHBondContact O-N 3.01Å; L8-L10 PolarHBondContact O-N 2.94Å
9	L	35.2	Very low	34.6	Very low	164 Å²	164	160 Å²	160	86%	0.859	82%	0.818	S	S	*	*			trans	-70.5	103.4	164.7	-84.2	155.8	0	0	0	109	I11	L9-I11 PolarHBondContact O-N 2.89Å
10	L	33.4	Very low	34.5	Very low	155 Å²	155	163.3 Å²	163.3	81%	0.812	82%	0.821	S	S	*	*			trans	-79.1	95.6	167.6	-95.8	152.8	0	0	0	109	L8 L12	L8-L10 PolarHBondContact O-N 2.94Å; L10-L12 PolarHBondContact O-N 3.38Å
11	I	38.2	Very low	34.8	Very low	154 Å²	154	159.8 Å²	159.8	79%	0.79	81%	0.812	S	S	*	*			trans	-79.4	100.9	163.5	-55.2	177.3	0	0	0	106.5	L9 G13	L9-I11 PolarHBondContact O-N 2.89Å; I11-G13 PolarHBondContact O-N 3.2Å
12	L	36.4	Very low	35	Very low	151 Å²	151	151.1 Å²	151.1	79%	0.791	78%	0.775	S	S	*	*			trans	-66.4	95.8	167.7	-91.3	149.1	0	0	0	108.4	L10 H14	L10-L12 PolarHBondContact O-N 3.38Å; L12-H14 PolarHBondContact O-N 3.46Å; L12-H14 VanDerWaalsContact O-N 3.1Å
13	G	31.8	Very low	36	Very low	60 Å²	60	144.9 Å²	144.9	62%	0.619	77%	0.774	S	S	*	*			trans	-65.3	104.1	167.3	0	0	0	0	0	109.6	I11 V15	I11-G13 PolarHBondContact O-N 3.2Å; G13-V15 VanDerWaalsContact C-N 3.3Å; G13-V15 PolarHBondContact O-N 3.27Å
14	H	34.2	Very low	37.6	Very low	186 Å²	186	145.1 Å²	145.1	86%	0.861	77%	0.771	S	S	*	*			trans	-65.2	95	159.9	-81.4	-67.5	0	0	0	108.1	L12 A16	L12-H14 PolarHBondContact O-N 3.46Å; L12-H14 VanDerWaalsContact O-N 3.1Å; H14-A16 PolarHBondContact O-N 2.95Å
15	V	33.8	Very low	40	Very low	137 Å²	137	141.1 Å²	141.1	83%	0.83	76%	0.755	S	S	*	*			trans	-71.1	91.8	161.6	-178.2	0	0	0	0	106.2	G13 S17	G13-V15 VanDerWaalsContact C-N 3.3Å; G13-V15 PolarHBondContact O-N 3.27Å; V15-S17 PolarHBondContact O-N 2.84Å; V15-S17 VanDerWaalsContact O-N 3.11Å
16	A	32.6	Very low	42.7	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	72%	0.72	S	S	*	*			trans	-59.5	111	158.5	0	0	0	0	0	106.6	H14 A18	H14-A16 PolarHBondContact O-N 2.95Å; A16-A18 PolarHBondContact O-N 2.97Å
17	S	33	Very low	45.6	Very low	110 Å²	110	127.3 Å²	127.3	77%	0.769	70%	0.696	S	S	*	*			trans	-69.5	76.9	168.5	62.7	0	0	0	0	108.4	V15 R19	V15-S17 PolarHBondContact O-N 2.84Å; V15-S17 VanDerWaalsContact O-N 3.11Å; S17-R19 PolarHBondContact O-N 2.9Å; S17-R19 VanDerWaalsContact O-N 3.12Å
18	A	33.2	Very low	48.4	Very low	89 Å²	89	116.4 Å²	116.4	74%	0.736	66%	0.657	S	S	*	*			trans	-63.8	109.3	163	0	0	0	0	0	106.5	A16 Y20	A16-A18 PolarHBondContact O-N 2.97Å; A18-Y20 PolarHBondContact O-N 3.35Å
19	R	34.2	Very low	51.3	Low	241 Å²	241	113.2 Å²	113.2	91%	0.909	64%	0.641	S	S	*	*			trans	-59.3	107.9	167.9	-74.5	-175	-171.8	-178.6	3	106.9	S17 S21	S17-R19 PolarHBondContact O-N 2.9Å; S17-R19 VanDerWaalsContact O-N 3.12Å; R19-S21 VanDerWaalsContact C-N 3.31Å; R19-S21 PolarHBondContact O-N 3Å
20	Y	33.6	Very low	54.2	Low	225 Å²	225	106.8 Å²	106.8	88%	0.882	61%	0.606	S	S	*	*			trans	-69.8	92.2	172.5	-154.4	-92	0	0	0	107.1	A18 S22	A18-Y20 PolarHBondContact O-N 3.35Å; Y20-S22 PolarHBondContact O-N 2.81Å
21	S	39.8	Very low	57.1	Low	90 Å²	90	99.7 Å²	99.7	63%	0.629	57%	0.57	S	S	*	*			trans	-65.7	98.5	174	170	0	0	0	0	108.3	R19 A23	R19-S21 VanDerWaalsContact C-N 3.31Å; R19-S21 PolarHBondContact O-N 3Å; S21-A23 PolarHBondContact O-N 2.83Å
22	S	45.5	Very low	59.4	Low	64 Å²	64	100.7 Å²	100.7	45%	0.448	57%	0.571	S	S	.	*			trans	-59.7	136.3	171	54	0	0	0	0	109.6	Y20 N24 D25	Y20-S22 PolarHBondContact O-N 2.81Å; S22-N24 PolarHBondContact O-N 2.78Å; S22-D25 PolarHBondContact O-N 2.88Å
23	A	56.3	Low	61.9	Low	103 Å²	103	96 Å²	96	85%	0.851	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-2.3	-178.1	0	0	0	0	0	115.3	S21	S21-A23 PolarHBondContact O-N 2.83Å
24	N	67.3	Low	64.8	Low	128 Å²	128	93.4 Å²	93.4	68%	0.684	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	16.1	-178.2	-69.7	-3.1	0	0	0	113.3	S22 P51	S22-N24 PolarHBondContact O-N 2.78Å; N24-P51 VanDerWaalsContact O-CB 3.22Å; N24-P51 WeakPolarHBondContact O-CB 3.39Å
25	D	83.8	Confident	67.7	Low	76 Å²	76	87.5 Å²	87.5	41%	0.406	49%	0.493	S	S	.	.	S	Bend	trans	-104.6	161.6	176.8	-154.1	1.2	0	0	0	111.8	S22 T27	S22-D25 PolarHBondContact O-N 2.88Å; D25-T27 PolarHBondContact O-N 3.38Å
26	W	91.5	Very high	70.7	Confident	15 Å²	15	81 Å²	81	6%	0.057	45%	0.453	C	S	.	.			trans	-62.3	136.5	170.1	-75.7	83	0	0	0	109.6	Y48 T50 P51 L57 M131 A133 E136 W138	W26-Y48 HydrophobicContact CZ3-CD2 4.02Å; W26-T50 HydrophobicContact CE3-CG2 4.36Å; W26-T50 HydrophobicContact CH2-CG2 3.67Å; W26-T50 HydrophobicContact CZ2-CG2 4.3Å; W26-T50 HydrophobicContact CZ3-CG2 3.7Å; W26-P51 VanDerWaalsContact CD1-CD 3.4Å; W26-P51 HydrophobicContact CD2-CG 4.48Å; W26-P51 HydrophobicContact CG-CG 3.99Å; W26-P51 VanDerWaalsContact NE1-CD 3.34Å; W26-L57 HydrophobicContact CH2-CD2 3.87Å; W26-L57 HydrophobicContact CZ3-CD2 4.15Å; W26-M131 HydrophobicContact CE3-CE 4.4Å; W26-M131 HydrophobicContact CH2-CB 4.05Å; W26-M131 HydrophobicContact CZ3-CB 3.95Å; W26-M131 HydrophobicContact CZ3-CE 4.34Å; W26-M131 HydrophobicContact CZ3-SD 4.33Å; W26-A133 HydrophobicContact CH2-CB 3.99Å; W26-A133 HydrophobicContact CZ2-CB 4.2Å; W26-E136 HydrophobicContact CZ2-CB 3.72Å; W26-W138 HydrophobicContact CB-CB 4.23Å; W26-W138 HydrophobicContact CB-CD2 3.67Å; W26-W138 HydrophobicContact CB-CE3 3.9Å; W26-W138 HydrophobicContact CB-CG 3.8Å; W26-W138 AromaticContact CD1-CE3 3.93Å; W26-W138 HydrophobicContact CD2-CB 3.51Å; W26-W138 HydrophobicContact CD2-CG 4.03Å; W26-W138 HydrophobicContact CE3-CB 3.95Å; W26-W138 HydrophobicContact CE3-CG 4.41Å; W26-W138 HydrophobicContact CG-CB 3.62Å; W26-W138 AromaticContact CG-CD2 3.94Å; W26-W138 HydrophobicContact CG-CD2 3.94Å; W26-W138 HydrophobicContact CG-CE3 4.06Å; W26-W138 AromaticContact CG-CG 3.75Å; W26-W138 HydrophobicContact CG-CG 3.75Å; W26-W138 HydrophobicContact CZ2-CB 4.35Å
27	T	93.4	Very high	73.8	Confident	41 Å²	41	77.1 Å²	77.1	25%	0.252	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	168	64.8	0	0	0	0	108.2	D25 Y48 K49	D25-T27 PolarHBondContact O-N 3.38Å; T27-Y48 CarbonylContact O-C 3.57Å; T27-Y48 WeakPolarHBondContact O-CA 3.43Å; T27-K49 PolarHBondContact N-O 2.83Å; T27-K49 VanDerWaalsContact N-O 3.15Å; T27-K49 PolarHBondContact O-N 2.78Å; T27-K49 VanDerWaalsContact OG1-CB 3.3Å; T27-K49 WeakPolarHBondContact OG1-CB 3.35Å
28	V	94.5	Very high	76.8	Confident	19 Å²	19	76.6 Å²	76.6	12%	0.115	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.7	175.9	-163.9	0	0	0	0	108.1	K47 M131 E140	V28-K47 CarbonylContact C-O 3.56Å; V28-K47 WeakPolarHBondContact CA-O 3.22Å; V28-M131 HydrophobicContact CB-CE 4.48Å; V28-M131 HydrophobicContact CG1-CE 4.1Å; V28-M131 HydrophobicContact CG2-CE 3.49Å; V28-M131 VanDerWaalsContact CG2-CE 3.49Å; V28-E140 HydrophobicContact CB-CB 4.34Å; V28-E140 HydrophobicContact CB-CG 3.83Å; V28-E140 HydrophobicContact CG1-CB 4.27Å; V28-E140 HydrophobicContact CG1-CG 3.81Å; V28-E140 HydrophobicContact CG2-CB 4.24Å; V28-E140 HydrophobicContact CG2-CG 4.25Å
29	D	96.3	Very high	79.7	Confident	84 Å²	84	74.2 Å²	74.2	45%	0.449	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.3	-177.6	-63.8	-53.6	0	0	0	109.5	C46 K47 I211	D29-C46 WeakPolarHBondContact O-CA 3.32Å; D29-K47 PolarHBondContact N-O 2.96Å; D29-K47 PolarHBondContact O-N 3.1Å; D29-I211 HydrophobicContact CB-CB 4.47Å; D29-I211 HydrophobicContact CB-CD1 3.98Å
30	H	95.8	Very high	82.6	Confident	29 Å²	29	62.8 Å²	62.8	13%	0.134	35%	0.346	C	S	.	.			trans	-150.6	164.8	172	63.7	78.9	0	0	0	110.4	Q32 P45 C46 E140 P141 I211	H30-Q32 PolarHBondContact O-N 3.21Å; H30-P45 WeakPolarHBondContact CA-O 3.38Å; H30-P45 VanDerWaalsContact CB-O 3.28Å; H30-P45 WeakPolarHBondContact CB-O 3.24Å; H30-C46 HydrophobicContact CB-CB 4.3Å; H30-E140 WeakPolarHBondContact NE2-CG 3.41Å; H30-E140 IonicContact NE2-OE1 2.79Å; H30-E140 PolarHBondContact NE2-OE1 2.82Å; H30-P141 PolarHBondContact CE1-O 3.3Å; H30-P141 PolarHBondContact NE2-O 2.78Å; H30-I211 CarbonylContact C-O 3.53Å
31	P	94.3	Very high	85.6	Confident	6 Å²	6	52 Å²	52	4%	0.039	30%	0.304	C	S	.	.			trans	-60	138.8	175.4	-24.1	36	0	0	0	111.1	T33 L34 P45 S210 I211 V214	P31-T33 VanDerWaalsContact C-N 3.34Å; P31-T33 PolarHBondContact O-N 3.09Å; P31-L34 HydrophobicContact CB-CD2 3.91Å; P31-L34 HydrophobicContact CB-CG 4.2Å; P31-L34 HydrophobicContact CG-CD2 4.02Å; P31-P45 VanDerWaalsContact CD-O 3.32Å; P31-P45 WeakPolarHBondContact CD-O 3.36Å; P31-S210 WeakPolarHBondContact CG-O 3.39Å; P31-I211 WeakPolarHBondContact CD-O 3.32Å; P31-I211 VanDerWaalsContact N-O 3.1Å; P31-V214 HydrophobicContact CG-CG2 3.86Å
32	Q	86.9	Confident	88.2	Confident	175 Å²	175	48 Å²	48	82%	0.818	28%	0.276	S	S	*	.	S	Bend	trans	-63	-37.9	-174.7	-70.9	-173.2	-18.3	0	0	113.5	H30	H30-Q32 PolarHBondContact O-N 3.21Å
33	T	87.9	Confident	90.5	Very high	53 Å²	53	48.2 Å²	48.2	33%	0.325	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	132.8	176.4	-57.9	0	0	0	0	108.7	P31 F35 N145	P31-T33 VanDerWaalsContact C-N 3.34Å; P31-T33 PolarHBondContact O-N 3.09Å; T33-F35 HydrophobicContact CG2-CE1 4.04Å; T33-F35 HydrophobicContact CG2-CE2 3.91Å; T33-F35 HydrophobicContact CG2-CZ 3.64Å; T33-N145 HydrophobicContact CG2-CB 4.21Å
34	L	93.9	Very high	92.3	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.1	176.7	-67.7	160.5	0	0	0	109.3	P31 I42 I44 H143 L144 N145 V214	P31-L34 HydrophobicContact CB-CD2 3.91Å; P31-L34 HydrophobicContact CB-CG 4.2Å; P31-L34 HydrophobicContact CG-CD2 4.02Å; L34-I42 HydrophobicContact CB-CD1 3.73Å; L34-I42 HydrophobicContact CB-CG1 4.24Å; L34-I44 HydrophobicContact CD1-CB 3.95Å; L34-I44 HydrophobicContact CD1-CG1 3.74Å; L34-I44 HydrophobicContact CD1-CG2 3.72Å; L34-H143 PolarHBondContact N-O 3.12Å; L34-L144 HydrophobicContact CB-CD2 4Å; L34-L144 HydrophobicContact CD1-CD2 4.21Å; L34-N145 PolarHBondContact O-N 3.43Å; L34-V214 HydrophobicContact CD2-CB 3.95Å; L34-V214 HydrophobicContact CD2-CG2 3.64Å
35	F	95.1	Very high	93.7	Very high	62 Å²	62	37.7 Å²	37.7	27%	0.272	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.2	-176.2	-55.6	-94.7	0	0	0	109.5	T33 N145 F151 N174 F175	T33-F35 HydrophobicContact CG2-CE1 4.04Å; T33-F35 HydrophobicContact CG2-CE2 3.91Å; T33-F35 HydrophobicContact CG2-CZ 3.64Å; F35-N145 WeakPolarHBondContact CA-O 3.46Å; F35-N145 HydrophobicContact CD1-CB 3.75Å; F35-N145 HydrophobicContact CE1-CB 4Å; F35-F151 HydrophobicContact CB-CD2 4.36Å; F35-F151 HydrophobicContact CB-CE2 3.71Å; F35-F151 HydrophobicContact CB-CZ 4.16Å; F35-F151 HydrophobicContact CD1-CZ 4.4Å; F35-N174 WeakPolarHBondContact CB-O 3.45Å; F35-N174 HydrophobicContact CD2-CB 3.8Å; F35-N174 HydrophobicContact CE2-CB 4.25Å; F35-N174 HydrophobicContact CG-CB 4.5Å; F35-F175 WeakPolarHBondContact O-CD2 3.28Å
36	A	96.9	Very high	94.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	176.5	168.3	0	0	0	0	0	110.2	I42 I119 N145 V146 S147 F151 F175	A36-I42 HydrophobicContact CB-CB 4.27Å; A36-I42 HydrophobicContact CB-CD1 3.92Å; A36-I42 HydrophobicContact CB-CG1 4.4Å; A36-I119 HydrophobicContact CB-CD1 4.39Å; A36-I119 HydrophobicContact CB-CG2 3.81Å; A36-N145 PolarHBondContact N-O 2.78Å; A36-N145 VanDerWaalsContact N-O 3.07Å; A36-V146 VanDerWaalsContact O-CA 3.28Å; A36-V146 WeakPolarHBondContact O-CA 3.34Å; A36-S147 PolarHBondContact O-N 3.43Å; A36-S147 VanDerWaalsContact O-N 3.07Å; A36-S147 PolarHBondContact O-OG 2.89Å; A36-F151 WeakPolarHBondContact O-CE2 3.32Å; A36-F151 WeakPolarHBondContact O-CZ 2.79Å; A36-F175 HydrophobicContact CB-CD2 4.3Å; A36-F175 HydrophobicContact CB-CE2 4.1Å
37	W	97.2	Very high	94.5	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	163.1	172.8	54.2	89.5	0	0	0	110.7	G39 A40 I119 S147 P150 F151 L173 F175 Y180 I182 L244	W37-G39 PolarHBondContact O-N 2.77Å; W37-A40 HydrophobicContact CD2-CB 4.24Å; W37-A40 HydrophobicContact CG-CB 4.26Å; W37-A40 HydrophobicContact CZ2-CB 4.49Å; W37-A40 VanDerWaalsContact O-CB 3.29Å; W37-A40 WeakPolarHBondContact O-CB 3.4Å; W37-A40 PolarHBondContact O-N 3.24Å; W37-A40 VanDerWaalsContact O-N 3.11Å; W37-I119 WeakPolarHBondContact O-CG2 3.44Å; W37-S147 CarbonylContact C-O 3.59Å; W37-S147 WeakPolarHBondContact CA-O 3.25Å; W37-P150 HydrophobicContact CD2-CB 3.9Å; W37-P150 HydrophobicContact CD2-CG 4.24Å; W37-P150 HydrophobicContact CE3-CB 4.38Å; W37-P150 HydrophobicContact CG-CB 4.08Å; W37-P150 HydrophobicContact CG-CG 4Å; W37-P150 HydrophobicContact CZ2-CB 4.43Å; W37-F151 AromaticContact CE3-CD2 3.81Å; W37-F151 HydrophobicContact CE3-CD2 3.81Å; W37-F151 HydrophobicContact CE3-CE2 4.09Å; W37-F151 HydrophobicContact CZ3-CD2 4.2Å; W37-L173 HydrophobicContact CH2-CD2 3.98Å; W37-L173 HydrophobicContact CZ3-CD2 4.02Å; W37-F175 HydrophobicContact CE3-CD2 4.16Å; W37-F175 HydrophobicContact CE3-CE2 4.42Å; W37-F175 HydrophobicContact CE3-CG 4.49Å; W37-F175 HydrophobicContact CH2-CB 4.27Å; W37-F175 AromaticContact CH2-CD1 3.46Å; W37-F175 HydrophobicContact CH2-CD1 3.46Å; W37-F175 VanDerWaalsContact CH2-CD1 3.46Å; W37-F175 AromaticContact CH2-CD2 3.88Å; W37-F175 HydrophobicContact CH2-CD2 3.88Å; W37-F175 AromaticContact CH2-CE1 3.64Å; W37-F175 HydrophobicContact CH2-CE1 3.64Å; W37-F175 HydrophobicContact CH2-CE2 4.04Å; W37-F175 AromaticContact CH2-CG 3.58Å; W37-F175 HydrophobicContact CH2-CG 3.58Å; W37-F175 AromaticContact CH2-CZ 3.92Å; W37-F175 HydrophobicContact CH2-CZ 3.92Å; W37-F175 HydrophobicContact CZ2-CD1 4.37Å; W37-F175 HydrophobicContact CZ2-CE1 4.12Å; W37-F175 HydrophobicContact CZ2-CE2 4.49Å; W37-F175 HydrophobicContact CZ2-CZ 4.18Å; W37-F175 HydrophobicContact CZ3-CB 3.87Å; W37-F175 AromaticContact CZ3-CD1 3.88Å; W37-F175 HydrophobicContact CZ3-CD1 3.88Å; W37-F175 AromaticContact CZ3-CD2 3.53Å; W37-F175 HydrophobicContact CZ3-CD2 3.53Å; W37-F175 HydrophobicContact CZ3-CE1 4.3Å; W37-F175 AromaticContact CZ3-CE2 3.99Å; W37-F175 HydrophobicContact CZ3-CE2 3.99Å; W37-F175 AromaticContact CZ3-CG 3.46Å; W37-F175 HydrophobicContact CZ3-CG 3.46Å; W37-F175 VanDerWaalsContact CZ3-CG 3.46Å; W37-F175 HydrophobicContact CZ3-CZ 4.35Å; W37-Y180 HydrophobicContact CZ2-CD1 4.45Å; W37-Y180 AromaticContact CZ2-CE1 3.69Å; W37-Y180 HydrophobicContact CZ2-CE1 3.69Å; W37-Y180 AromaticContact NE1-CZ 3.93Å; W37-Y180 PolarHBondContact NE1-OH 2.89Å; W37-I182 HydrophobicContact CH2-CG2 4.31Å; W37-I182 HydrophobicContact CZ2-CG2 4.28Å; W37-L244 HydrophobicContact CZ2-CD1 3.56Å
38	E	96.3	Very high	94.5	Very high	100 Å²	100	36.6 Å²	36.6	47%	0.467	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	130.5	-179.6	-177	153.8	-157.7	0	0	112.5	A40 A121 S147	E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.88Å; E38-A121 HydrophobicContact CB-CB 4.47Å; E38-S147 PolarHBondContact N-O 3.34Å
39	G	93.7	Very high	94.4	Very high	39 Å²	39	42.7 Å²	42.7	40%	0.402	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	-10.7	-179.5	0	0	0	0	0	115.2	W37 I119	W37-G39 PolarHBondContact O-N 2.77Å; G39-I119 PolarHBondContact N-O 2.85Å
40	A	95.8	Very high	94.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-78	-157.6	174.3	0	0	0	0	0	111.9	W37 E38 H117 P118 I119 F175 Y180	W37-A40 HydrophobicContact CD2-CB 4.24Å; W37-A40 HydrophobicContact CG-CB 4.26Å; W37-A40 HydrophobicContact CZ2-CB 4.49Å; W37-A40 VanDerWaalsContact O-CB 3.29Å; W37-A40 WeakPolarHBondContact O-CB 3.4Å; W37-A40 PolarHBondContact O-N 3.24Å; W37-A40 VanDerWaalsContact O-N 3.11Å; E38-A40 VanDerWaalsContact C-N 3.3Å; E38-A40 PolarHBondContact O-N 2.88Å; A40-H117 PolarHBondContact O-ND1 3.5Å; A40-P118 VanDerWaalsContact O-CA 3.27Å; A40-P118 WeakPolarHBondContact O-CA 3.46Å; A40-I119 HydrophobicContact CB-CG2 4.45Å; A40-I119 PolarHBondContact O-N 2.89Å; A40-F175 HydrophobicContact CB-CE2 4.14Å; A40-F175 HydrophobicContact CB-CZ 4.09Å; A40-Y180 HydrophobicContact CB-CD1 4.18Å; A40-Y180 HydrophobicContact CB-CD2 4.3Å; A40-Y180 HydrophobicContact CB-CE1 4.07Å; A40-Y180 HydrophobicContact CB-CE2 4.14Å; A40-Y180 HydrophobicContact CB-CG 4.32Å
41	C	94.6	Very high	93.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.196	C	C	.	.			trans	-131	161.8	162.7	59.7	0	0	0	0	111.5	I116 H117 F175 C177 Y180	C41-I116 VanDerWaalsContact CA-O 3.28Å; C41-I116 WeakPolarHBondContact CA-O 3.48Å; C41-I116 WeakPolarHBondContact CB-O 3.39Å; C41-H117 HydrophobicContact CB-CB 3.61Å; C41-H117 WeakPolarHBondContact CB-ND1 3.31Å; C41-F175 WeakPolarHBondContact O-CE2 3.25Å; C41-C177 HydrophobicContact CB-CB 4.15Å; C41-C177 WeakPolarHBondContact CB-SG 3.09Å; C41-C177 WeakPolarHBondContact O-CB 3.25Å; C41-C177 WeakPolarHBondContact SG-CB 3.35Å; C41-C177 CovalentContact SG-SG 2.01Å; C41-C177 PolarHBondContact SG-SG 2.88Å; C41-Y180 VanDerWaalsContact SG-CB 3.5Å
42	I	94.6	Very high	93.4	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.1	169.5	-157.7	154.6	0	0	0	108.5	L34 A36 I44 K115 I116 I119 L144	L34-I42 HydrophobicContact CB-CD1 3.73Å; L34-I42 HydrophobicContact CB-CG1 4.24Å; A36-I42 HydrophobicContact CB-CB 4.27Å; A36-I42 HydrophobicContact CB-CD1 3.92Å; A36-I42 HydrophobicContact CB-CG1 4.4Å; I42-I44 HydrophobicContact CG2-CG1 4.34Å; I42-K115 CarbonylContact O-C 3.1Å; I42-K115 VanDerWaalsContact O-CA 3.29Å; I42-K115 WeakPolarHBondContact O-CA 3.15Å; I42-I116 HydrophobicContact CG2-CB 3.81Å; I42-I116 HydrophobicContact CG2-CD1 4.13Å; I42-I116 HydrophobicContact CG2-CG1 3.96Å; I42-I116 PolarHBondContact N-O 3.42Å; I42-I116 PolarHBondContact O-N 2.75Å; I42-I119 HydrophobicContact CB-CD1 3.78Å; I42-I119 HydrophobicContact CD1-CD1 4.01Å; I42-I119 HydrophobicContact CG2-CD1 3.48Å; I42-I119 VanDerWaalsContact CG2-CD1 3.48Å; I42-L144 HydrophobicContact CD1-CD1 4.39Å; I42-L144 HydrophobicContact CD1-CD2 3.78Å
43	R	94.1	Very high	93	Very high	69 Å²	69	39.7 Å²	39.7	26%	0.26	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.2	165.3	-177.1	177.5	176.5	130.7	-0.7	106.9	P45 L105 T113 L114	R43-P45 VanDerWaalsContact O-CD 3.29Å; R43-P45 WeakPolarHBondContact O-CD 3.1Å; R43-L105 HydrophobicContact CG-CD1 4.49Å; R43-T113 HydrophobicContact CG-CG2 4.09Å; R43-L114 WeakPolarHBondContact CA-O 3.37Å
44	I	94.9	Very high	92.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	89.7	-178.2	-53.3	172.5	0	0	0	106.7	L34 I42 C46 T113 L114 I142 L144	L34-I44 HydrophobicContact CD1-CB 3.95Å; L34-I44 HydrophobicContact CD1-CG1 3.74Å; L34-I44 HydrophobicContact CD1-CG2 3.72Å; I42-I44 HydrophobicContact CG2-CG1 4.34Å; I44-C46 PolarHBondContact O-N 2.82Å; I44-T113 VanDerWaalsContact O-CA 3.29Å; I44-T113 WeakPolarHBondContact O-CA 3.23Å; I44-T113 WeakPolarHBondContact O-CG2 3.31Å; I44-L114 HydrophobicContact CD1-CB 4.44Å; I44-L114 PolarHBondContact N-O 2.78Å; I44-L114 PolarHBondContact O-N 3.14Å; I44-I142 HydrophobicContact CD1-CG2 4.4Å; I44-I142 HydrophobicContact CG2-CD1 4.21Å; I44-I142 HydrophobicContact CG2-CG2 4.14Å; I44-L144 HydrophobicContact CD1-CD2 4.33Å
45	P	95.4	Very high	92.2	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.052	25%	0.245	C	C	.	.			trans	-62.4	124.2	175	-18	31.9	0	0	0	109	H30 P31 R43 I211 V214	H30-P45 WeakPolarHBondContact CA-O 3.38Å; H30-P45 VanDerWaalsContact CB-O 3.28Å; H30-P45 WeakPolarHBondContact CB-O 3.24Å; P31-P45 VanDerWaalsContact CD-O 3.32Å; P31-P45 WeakPolarHBondContact CD-O 3.36Å; R43-P45 VanDerWaalsContact O-CD 3.29Å; R43-P45 WeakPolarHBondContact O-CD 3.1Å; P45-I211 HydrophobicContact CB-CG2 4.3Å; P45-V214 HydrophobicContact CG-CG2 3.94Å
46	C	95.8	Very high	91.9	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.007	26%	0.263	C	S	.	.			trans	-145.3	131.7	-172.9	-179.1	0	0	0	0	109.9	D29 H30 I44 N111 C112 T113	D29-C46 WeakPolarHBondContact O-CA 3.32Å; H30-C46 HydrophobicContact CB-CB 4.3Å; I44-C46 PolarHBondContact O-N 2.82Å; C46-N111 PolarHBondContact O-OD1 3.07Å; C46-C112 HydrophobicContact CB-CB 3.85Å; C46-C112 WeakPolarHBondContact CB-SG 3.38Å; C46-C112 PolarHBondContact O-N 2.77Å; C46-C112 PolarHBondContact O-SG 3.42Å; C46-C112 WeakPolarHBondContact SG-CB 3.38Å; C46-C112 CovalentContact SG-SG 2.03Å; C46-C112 PolarHBondContact SG-SG 2.82Å; C46-T113 PolarHBondContact N-OG1 3.12Å; C46-T113 PolarHBondContact O-OG1 2.88Å
47	K	96.2	Very high	91.5	Very high	106 Å²	106	53.4 Å²	53.4	46%	0.461	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.9	167.8	-74.2	-166.7	176.6	-165.4	0	110.1	V28 D29 D110 C112 I211	V28-K47 CarbonylContact C-O 3.56Å; V28-K47 WeakPolarHBondContact CA-O 3.22Å; D29-K47 PolarHBondContact N-O 2.96Å; D29-K47 PolarHBondContact O-N 3.1Å; K47-D110 CarbonylContact C-O 3.54Å; K47-D110 VanDerWaalsContact CA-O 3.24Å; K47-D110 WeakPolarHBondContact CA-O 3.29Å; K47-C112 PolarHBondContact N-SG 3.04Å; K47-I211 HydrophobicContact CB-CG2 4.43Å; K47-I211 HydrophobicContact CD-CD1 4.46Å; K47-I211 HydrophobicContact CG-CG2 4.09Å
48	Y	94.2	Very high	91.1	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.5	176.1	73.8	-85.6	0	0	0	112	W26 T27 T50 L57 R108 I109 D110 C112 M131	W26-Y48 HydrophobicContact CZ3-CD2 4.02Å; T27-Y48 CarbonylContact O-C 3.57Å; T27-Y48 WeakPolarHBondContact O-CA 3.43Å; Y48-T50 HydrophobicContact CD2-CG2 4.04Å; Y48-T50 HydrophobicContact CE2-CG2 3.78Å; Y48-L57 HydrophobicContact CD1-CD1 4.23Å; Y48-L57 HydrophobicContact CE1-CD1 3.44Å; Y48-L57 VanDerWaalsContact CE1-CD1 3.44Å; Y48-L57 HydrophobicContact CE1-CG 4.21Å; Y48-L57 HydrophobicContact CE2-CD1 3.86Å; Y48-L57 HydrophobicContact CE2-CD2 4.2Å; Y48-L57 HydrophobicContact CE2-CG 3.73Å; Y48-L57 VanDerWaalsContact CZ-CG 3.48Å; Y48-L57 VanDerWaalsContact OH-CD1 3.27Å; Y48-L57 WeakPolarHBondContact OH-CD1 3.38Å; Y48-L57 VanDerWaalsContact OH-CG 3.24Å; Y48-L57 WeakPolarHBondContact OH-CG 2.98Å; Y48-R108 PolarHBondContact OH-O 3.35Å; Y48-R108 VanDerWaalsContact OH-O 3.12Å; Y48-I109 WeakPolarHBondContact CE2-O 3.22Å; Y48-I109 VanDerWaalsContact CZ-C 3.5Å; Y48-I109 WeakPolarHBondContact OH-CA 3.35Å; Y48-I109 PolarHBondContact OH-N 2.74Å; Y48-I109 PolarHBondContact OH-O 3Å; Y48-D110 VanDerWaalsContact CE1-C 3.49Å; Y48-D110 PolarHBondContact N-O 3.43Å; Y48-D110 WeakPolarHBondContact O-CA 3.45Å; Y48-D110 PolarHBondContact OH-N 2.79Å; Y48-C112 HydrophobicContact CD1-CB 3.75Å; Y48-C112 HydrophobicContact CE1-CB 4.38Å; Y48-M131 HydrophobicContact CD1-SD 4.29Å; Y48-M131 HydrophobicContact CG-SD 4.09Å
49	K	93.4	Very high	90.7	Very high	146 Å²	146	52 Å²	52	64%	0.635	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.7	164.3	-56.1	177.9	-180	173.1	0	109.3	T27	T27-K49 PolarHBondContact N-O 2.83Å; T27-K49 VanDerWaalsContact N-O 3.15Å; T27-K49 PolarHBondContact O-N 2.78Å; T27-K49 VanDerWaalsContact OG1-CB 3.3Å; T27-K49 WeakPolarHBondContact OG1-CB 3.35Å
50	T	90.6	Very high	90.6	Very high	26 Å²	26	50.2 Å²	50.2	16%	0.16	24%	0.24	C	C	.	.			trans	-91.1	148	179	57.9	0	0	0	0	110.8	W26 Y48 L52 A133	W26-T50 HydrophobicContact CE3-CG2 4.36Å; W26-T50 HydrophobicContact CH2-CG2 3.67Å; W26-T50 HydrophobicContact CZ2-CG2 4.3Å; W26-T50 HydrophobicContact CZ3-CG2 3.7Å; Y48-T50 HydrophobicContact CD2-CG2 4.04Å; Y48-T50 HydrophobicContact CE2-CG2 3.78Å; T50-L52 PolarHBondContact O-N 2.83Å; T50-L52 PolarHBondContact OG1-O 3.26Å; T50-A133 HydrophobicContact CG2-CB 4.06Å
51	P	89.1	Confident	90.4	Very high	22 Å²	22	51.3 Å²	51.3	14%	0.143	25%	0.246	C	C	.	.	S	Bend	trans	-53.9	-34.9	168.3	-31.5	38	0	0	0	113.8	N24 W26 P53 E136	N24-P51 VanDerWaalsContact O-CB 3.22Å; N24-P51 WeakPolarHBondContact O-CB 3.39Å; W26-P51 VanDerWaalsContact CD1-CD 3.4Å; W26-P51 HydrophobicContact CD2-CG 4.48Å; W26-P51 HydrophobicContact CG-CG 3.99Å; W26-P51 VanDerWaalsContact NE1-CD 3.34Å; P51-P53 WeakPolarHBondContact O-CD 3.42Å; P51-E136 HydrophobicContact CB-CG 4.26Å; P51-E136 HydrophobicContact CG-CG 4.29Å
52	L	85.4	Confident	90.3	Very high	63 Å²	63	51.3 Å²	51.3	33%	0.33	25%	0.246	S	C	.	.	S	Bend	trans	-84.7	116.8	-178.4	-65.6	175.8	0	0	0	110.1	T50 K54 A55 E136	T50-L52 PolarHBondContact O-N 2.83Å; T50-L52 PolarHBondContact OG1-O 3.26Å; L52-K54 PolarHBondContact O-N 2.8Å; L52-A55 HydrophobicContact CB-CB 3.54Å; L52-A55 HydrophobicContact CD1-CB 4.39Å; L52-A55 WeakPolarHBondContact O-CB 3.38Å; L52-A55 PolarHBondContact O-N 2.88Å; L52-E136 HydrophobicContact CD1-CG 3.75Å; L52-E136 HydrophobicContact CG-CG 3.76Å
53	P	78.9	Confident	90.2	Very high	120 Å²	120	52 Å²	52	78%	0.779	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	130.6	179.1	-22.4	33.3	0	0	0	111.2	P51 A55	P51-P53 WeakPolarHBondContact O-CD 3.42Å; P53-A55 PolarHBondContact O-N 2.91Å
54	K	81.3	Confident	90	Very high	211 Å²	211	49.3 Å²	49.3	92%	0.917	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	8.6	-179.7	-50.1	176.4	-179.9	176.2	0	115.4	L52	L52-K54 PolarHBondContact O-N 2.8Å
55	A	83.8	Confident	89.6	Confident	24 Å²	24	54.2 Å²	54.2	20%	0.198	27%	0.266	C	S	.	.			trans	-65.3	147.1	172.9	0	0	0	0	0	110.8	L52 P53 A133	L52-A55 HydrophobicContact CB-CB 3.54Å; L52-A55 HydrophobicContact CD1-CB 4.39Å; L52-A55 WeakPolarHBondContact O-CB 3.38Å; L52-A55 PolarHBondContact O-N 2.88Å; P53-A55 PolarHBondContact O-N 2.91Å; A55-A133 HydrophobicContact CB-CB 4.3Å
56	R	87.5	Confident	89.4	Confident	171 Å²	171	56.5 Å²	56.5	65%	0.645	27%	0.274	S	S	*	.			trans	-110.3	149.7	175.2	-66	-175.7	-178.7	178.6	-0.1	109.3	D58 R108	R56-D58 PolarHBondContact O-N 2.83Å; R56-R108 WeakPolarHBondContact CA-O 3.21Å; R56-R108 HydrophobicContact CB-CB 4.45Å; R56-R108 WeakPolarHBondContact CB-O 3.05Å
57	L	88.6	Confident	89.2	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.016	31%	0.305	C	S	.	.			trans	-64.8	126.2	175	-76.9	175.9	0	0	0	110.8	W26 Y48 R108 M131 A133	W26-L57 HydrophobicContact CH2-CD2 3.87Å; W26-L57 HydrophobicContact CZ3-CD2 4.15Å; Y48-L57 HydrophobicContact CD1-CD1 4.23Å; Y48-L57 HydrophobicContact CE1-CD1 3.44Å; Y48-L57 VanDerWaalsContact CE1-CD1 3.44Å; Y48-L57 HydrophobicContact CE1-CG 4.21Å; Y48-L57 HydrophobicContact CE2-CD1 3.86Å; Y48-L57 HydrophobicContact CE2-CD2 4.2Å; Y48-L57 HydrophobicContact CE2-CG 3.73Å; Y48-L57 VanDerWaalsContact CZ-CG 3.48Å; Y48-L57 VanDerWaalsContact OH-CD1 3.27Å; Y48-L57 WeakPolarHBondContact OH-CD1 3.38Å; Y48-L57 VanDerWaalsContact OH-CG 3.24Å; Y48-L57 WeakPolarHBondContact OH-CG 2.98Å; L57-R108 HydrophobicContact CB-CB 4.31Å; L57-R108 HydrophobicContact CB-CG 4.45Å; L57-R108 PolarHBondContact N-O 2.97Å; L57-R108 VanDerWaalsContact N-O 3.09Å; L57-R108 WeakPolarHBondContact O-CD 3.11Å; L57-R108 PolarHBondContact O-NH1 3.05Å; L57-M131 HydrophobicContact CD1-CG 4.34Å; L57-M131 HydrophobicContact CD1-SD 4.21Å; L57-M131 HydrophobicContact CD2-CB 3.75Å; L57-M131 HydrophobicContact CD2-CG 4.12Å; L57-M131 HydrophobicContact CD2-SD 4.45Å; L57-A133 HydrophobicContact CD2-CB 4.39Å
58	D	88.9	Confident	89	Confident	41 Å²	41	63.3 Å²	63.3	22%	0.219	31%	0.305	C	S	.	.	S	Bend	trans	-86	-39.2	172.4	-60.4	-54.7	0	0	0	111	R56 T84 K85 R108 T132 G134	R56-D58 PolarHBondContact O-N 2.83Å; D58-T84 CarbonylContact O-C 3.58Å; D58-K85 WeakPolarHBondContact O-CB 3.42Å; D58-K85 PolarHBondContact O-N 2.61Å; D58-K85 VanDerWaalsContact OD1-CD 3.29Å; D58-K85 WeakPolarHBondContact OD1-CD 3.17Å; D58-K85 IonicContact OD1-NZ 3.28Å; D58-K85 PolarHBondContact OD1-NZ 3.08Å; D58-R108 PolarHBondContact O-NH1 3.46Å; D58-T132 PolarHBondContact N-O 2.86Å; D58-G134 PolarHBondContact OD2-N 3.3Å
59	N	88.6	Confident	88.9	Confident	32 Å²	32	65.7 Å²	65.7	17%	0.171	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.1	178.2	-160.3	0.3	0	0	0	111.5	L61 N82 A83 T132	N59-L61 HydrophobicContact CB-CD1 4.42Å; N59-L61 WeakPolarHBondContact ND2-CD1 3.35Å; N59-N82 PolarHBondContact ND2-OD1 3.24Å; N59-N82 PolarHBondContact OD1-OD1 3.23Å; N59-A83 WeakPolarHBondContact CA-O 3.33Å; N59-A83 PolarHBondContact OD1-O 3.07Å; N59-T132 VanDerWaalsContact CB-OG1 3.24Å; N59-T132 WeakPolarHBondContact CB-OG1 3.33Å; N59-T132 PolarHBondContact N-O 3.48Å; N59-T132 PolarHBondContact N-OG1 2.87Å; N59-T132 PolarHBondContact O-N 2.81Å
60	I	90.3	Very high	88.8	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.7	170.7	-169.7	172.1	0	0	0	108.4	Y81 N82 A83 F104 L129 R130 M131	I60-Y81 HydrophobicContact CG2-CE1 4.04Å; I60-N82 WeakPolarHBondContact O-CA 3.44Å; I60-A83 HydrophobicContact CG2-CB 3.79Å; I60-A83 PolarHBondContact N-O 2.96Å; I60-A83 PolarHBondContact O-N 3.02Å; I60-F104 HydrophobicContact CD1-CD2 3.84Å; I60-F104 HydrophobicContact CD1-CE2 3.4Å; I60-F104 HydrophobicContact CD1-CZ 4.11Å; I60-L129 HydrophobicContact CD1-CD1 3.87Å; I60-L129 HydrophobicContact CG1-CD1 3.63Å; I60-L129 HydrophobicContact CG1-CG 4.49Å; I60-R130 WeakPolarHBondContact CA-O 3.4Å; I60-M131 HydrophobicContact CG1-CG 4.34Å
61	L	91.8	Very high	88.9	Confident	24 Å²	24	70.3 Å²	70.3	13%	0.126	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.8	173.7	-52.2	91.3	0	0	0	110.5	N59 F63 V79 Y81 N82 R130	N59-L61 HydrophobicContact CB-CD1 4.42Å; N59-L61 WeakPolarHBondContact ND2-CD1 3.35Å; L61-F63 HydrophobicContact CB-CD2 4.24Å; L61-F63 HydrophobicContact CB-CE2 3.82Å; L61-F63 HydrophobicContact CD2-CE2 4.21Å; L61-F63 HydrophobicContact CD2-CZ 4.25Å; L61-V79 HydrophobicContact CD2-CG1 4.33Å; L61-Y81 CarbonylContact C-O 3.59Å; L61-Y81 WeakPolarHBondContact CA-O 3.28Å; L61-N82 HydrophobicContact CD2-CB 4.22Å; L61-N82 HydrophobicContact CG-CB 4.31Å; L61-R130 HydrophobicContact CB-CB 4.2Å; L61-R130 HydrophobicContact CD1-CB 4.32Å; L61-R130 HydrophobicContact CD1-CG 4.06Å; L61-R130 PolarHBondContact N-O 2.96Å; L61-R130 PolarHBondContact O-N 2.78Å
62	L	93.1	Very high	89	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.7	170.2	-171.6	65.8	0	0	0	108.6	L80 Y81 V102 L114 I116 L127 L129	L62-L80 HydrophobicContact CB-CB 4.4Å; L62-L80 HydrophobicContact CD2-CB 4.25Å; L62-L80 HydrophobicContact CD2-CD1 4.28Å; L62-L80 HydrophobicContact CG-CB 4.38Å; L62-L80 PolarHBondContact O-N 2.89Å; L62-Y81 PolarHBondContact N-O 2.84Å; L62-Y81 PolarHBondContact O-N 3.16Å; L62-V102 HydrophobicContact CD2-CG1 3.96Å; L62-V102 HydrophobicContact CD2-CG2 4.5Å; L62-L114 HydrophobicContact CD1-CD1 4.06Å; L62-L114 HydrophobicContact CD2-CD1 4.32Å; L62-I116 HydrophobicContact CD2-CD1 4.15Å; L62-L127 HydrophobicContact CD1-CB 4Å; L62-L127 HydrophobicContact CD1-CD1 4.07Å; L62-L127 HydrophobicContact CD2-CD1 4.11Å; L62-L127 HydrophobicContact CG-CD1 4.31Å; L62-L129 HydrophobicContact CD1-CD1 4.34Å
63	F	92.6	Very high	89.2	Confident	18 Å²	18	77.9 Å²	77.9	8%	0.079	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.8	173.8	-72.2	-94	0	0	0	111.5	L61 Y66 T78 V79 L127 G128 R130 M139	L61-F63 HydrophobicContact CB-CD2 4.24Å; L61-F63 HydrophobicContact CB-CE2 3.82Å; L61-F63 HydrophobicContact CD2-CE2 4.21Å; L61-F63 HydrophobicContact CD2-CZ 4.25Å; F63-Y66 HydrophobicContact CB-CD1 4.46Å; F63-Y66 HydrophobicContact CB-CG 4.39Å; F63-T78 CarbonylContact C-O 3.55Å; F63-T78 WeakPolarHBondContact CA-O 2.94Å; F63-V79 HydrophobicContact CD1-CG2 4.02Å; F63-V79 HydrophobicContact CE1-CG2 3.56Å; F63-V79 HydrophobicContact CZ-CG2 4Å; F63-L127 CarbonylContact O-C 3.54Å; F63-L127 VanDerWaalsContact O-CA 3.27Å; F63-L127 WeakPolarHBondContact O-CA 3.41Å; F63-G128 PolarHBondContact N-O 2.84Å; F63-G128 PolarHBondContact O-N 2.82Å; F63-R130 HydrophobicContact CD2-CB 3.96Å; F63-R130 HydrophobicContact CE2-CB 3.76Å; F63-R130 HydrophobicContact CE2-CG 4.16Å; F63-M139 HydrophobicContact CD2-CE 4.02Å; F63-M139 HydrophobicContact CE2-CE 4.36Å
64	Q	90.5	Very high	89.6	Confident	13 Å²	13	78.9 Å²	78.9	6%	0.061	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.7	164.7	-176.4	-178.2	28.5	0	0	109.2	Y66 T78 L80 N122 L127	Q64-Y66 VanDerWaalsContact C-N 3.31Å; Q64-Y66 PolarHBondContact O-N 3.41Å; Q64-T78 PolarHBondContact N-O 3.03Å; Q64-T78 PolarHBondContact O-N 3.36Å; Q64-L80 HydrophobicContact CB-CD1 3.85Å; Q64-L80 HydrophobicContact CB-CD2 4.26Å; Q64-L80 HydrophobicContact CB-CG 3.93Å; Q64-N122 PolarHBondContact NE2-O 3.39Å; Q64-L127 HydrophobicContact CB-CD2 3.95Å; Q64-L127 HydrophobicContact CG-CD2 4.06Å
65	N	85.7	Confident	90.1	Very high	104 Å²	104	71.2 Å²	71.2	56%	0.556	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.3	51.6	-179.6	-57.5	-27.2	0	0	0	111.2
66	Y	90.8	Very high	90.3	Very high	57 Å²	57	73.4 Å²	73.4	22%	0.224	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.4	-175.7	71.6	-85.8	0	0	0	111.7	F63 Q64 F75 T76 G128 M139	F63-Y66 HydrophobicContact CB-CD1 4.46Å; F63-Y66 HydrophobicContact CB-CG 4.39Å; Q64-Y66 VanDerWaalsContact C-N 3.31Å; Q64-Y66 PolarHBondContact O-N 3.41Å; Y66-F75 AromaticContact CD2-CD1 3.73Å; Y66-F75 HydrophobicContact CD2-CD1 3.73Å; Y66-F75 AromaticContact CD2-CE1 3.9Å; Y66-F75 HydrophobicContact CD2-CE1 3.9Å; Y66-F75 HydrophobicContact CE2-CD1 4.34Å; Y66-F75 HydrophobicContact CE2-CE1 4.04Å; Y66-T76 CarbonylContact C-O 3.49Å; Y66-T76 WeakPolarHBondContact CA-O 3.33Å; Y66-G128 VanDerWaalsContact CD1-CA 3.47Å; Y66-M139 HydrophobicContact CD2-CE 4.01Å; Y66-M139 HydrophobicContact CD2-CG 4.25Å; Y66-M139 HydrophobicContact CD2-SD 4.29Å; Y66-M139 HydrophobicContact CE2-CE 4.4Å; Y66-M139 HydrophobicContact CE2-CG 3.69Å; Y66-M139 HydrophobicContact CE2-SD 4.2Å; Y66-M139 HydrophobicContact CG-CE 4.38Å
67	E	92.1	Very high	90.3	Very high	141 Å²	141	67.1 Å²	67.1	66%	0.659	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.9	175.5	-67	-172.3	176.5	0	0	110.4	F75 T76	E67-F75 CarbonylContact O-C 3.41Å; E67-F75 WeakPolarHBondContact O-CA 3Å; E67-T76 PolarHBondContact N-O 2.91Å; E67-T76 PolarHBondContact O-N 2.91Å
68	F	92.3	Very high	90.3	Very high	108 Å²	108	70 Å²	70	47%	0.474	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.6	175.2	-175.1	-104.1	0	0	0	110.5	K70 K73 F75	F68-K70 HydrophobicContact CD1-CG 4.12Å; F68-K70 HydrophobicContact CE1-CG 4.23Å; F68-K70 PolarHBondContact O-N 2.76Å; F68-K73 HydrophobicContact CZ-CB 4.35Å; F68-F75 HydrophobicContact CB-CD1 3.98Å; F68-F75 HydrophobicContact CB-CE1 3.68Å; F68-F75 HydrophobicContact CB-CZ 4.37Å; F68-F75 HydrophobicContact CD2-CD1 4.02Å; F68-F75 HydrophobicContact CD2-CD2 4.19Å; F68-F75 AromaticContact CD2-CE1 3.73Å; F68-F75 HydrophobicContact CD2-CE1 3.73Å; F68-F75 AromaticContact CD2-CE2 3.89Å; F68-F75 HydrophobicContact CD2-CE2 3.89Å; F68-F75 HydrophobicContact CD2-CG 4.27Å; F68-F75 AromaticContact CD2-CZ 3.66Å; F68-F75 HydrophobicContact CD2-CZ 3.66Å; F68-F75 HydrophobicContact CE2-CE2 4.35Å; F68-F75 HydrophobicContact CE2-CZ 4.43Å; F68-F75 HydrophobicContact CG-CE1 4.15Å; F68-F75 HydrophobicContact CG-CZ 4.38Å
69	D	91.7	Very high	90.3	Very high	54 Å²	54	70.5 Å²	70.5	29%	0.289	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	113	172.2	176.4	-3.9	0	0	0	109.8	A71 T72 K73 K74	D69-A71 VanDerWaalsContact C-N 3.33Å; D69-A71 PolarHBondContact O-N 2.84Å; D69-A71 WeakPolarHBondContact OD1-CA 3.29Å; D69-A71 WeakPolarHBondContact OD1-CB 3.09Å; D69-A71 PolarHBondContact OD1-N 2.01Å; D69-T72 WeakPolarHBondContact CB-OG1 3.34Å; D69-T72 PolarHBondContact OD1-N 3.4Å; D69-T72 WeakPolarHBondContact OD2-CB 3.28Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.46Å; D69-T72 PolarHBondContact OD2-OG1 2.84Å; D69-K73 WeakPolarHBondContact O-CA 3.37Å; D69-K73 PolarHBondContact O-N 3.48Å; D69-K74 WeakPolarHBondContact CB-O 3.44Å; D69-K74 PolarHBondContact N-O 2.68Å; D69-K74 PolarHBondContact O-N 3.4Å
70	K	91.3	Very high	90.2	Very high	177 Å²	177	69.5 Å²	69.5	77%	0.77	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-29.3	-179.7	-65.7	-178.4	-178.9	177.1	0	113.1	F68	F68-K70 HydrophobicContact CD1-CG 4.12Å; F68-K70 HydrophobicContact CE1-CG 4.23Å; F68-K70 PolarHBondContact O-N 2.76Å
71	A	93.2	Very high	90.1	Very high	92 Å²	92	69.8 Å²	69.8	76%	0.76	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-48	-178.3	0	0	0	0	0	110.8	D69	D69-A71 VanDerWaalsContact C-N 3.33Å; D69-A71 PolarHBondContact O-N 2.84Å; D69-A71 WeakPolarHBondContact OD1-CA 3.29Å; D69-A71 WeakPolarHBondContact OD1-CB 3.09Å; D69-A71 PolarHBondContact OD1-N 2.01Å
72	T	91.4	Very high	89.8	Confident	75 Å²	75	70.5 Å²	70.5	46%	0.46	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.6	179.5	64.1	0	0	0	0	113.5	D69 K74	D69-T72 WeakPolarHBondContact CB-OG1 3.34Å; D69-T72 PolarHBondContact OD1-N 3.4Å; D69-T72 WeakPolarHBondContact OD2-CB 3.28Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.46Å; D69-T72 PolarHBondContact OD2-OG1 2.84Å; T72-K74 PolarHBondContact O-N 2.86Å
73	K	88.6	Confident	89.2	Confident	168 Å²	168	70.7 Å²	70.7	73%	0.73	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	35.2	-172.3	-58.6	-176.7	178.9	179.7	0	112.2	F68 D69	F68-K73 HydrophobicContact CZ-CB 4.35Å; D69-K73 WeakPolarHBondContact O-CA 3.37Å; D69-K73 PolarHBondContact O-N 3.48Å
74	K	88.8	Confident	88.7	Confident	141 Å²	141	71.8 Å²	71.8	61%	0.613	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	154.8	-178.5	-70.3	177.7	-177.2	-179.7	0	110.8	D69 T72	D69-K74 WeakPolarHBondContact CB-O 3.44Å; D69-K74 PolarHBondContact N-O 2.68Å; D69-K74 PolarHBondContact O-N 3.4Å; T72-K74 PolarHBondContact O-N 2.86Å
75	F	90.1	Very high	87.6	Confident	51 Å²	51	77.6 Å²	77.6	22%	0.224	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.8	167.9	-71	-80.1	0	0	0	109.6	Y66 E67 F68 M139	Y66-F75 AromaticContact CD2-CD1 3.73Å; Y66-F75 HydrophobicContact CD2-CD1 3.73Å; Y66-F75 AromaticContact CD2-CE1 3.9Å; Y66-F75 HydrophobicContact CD2-CE1 3.9Å; Y66-F75 HydrophobicContact CE2-CD1 4.34Å; Y66-F75 HydrophobicContact CE2-CE1 4.04Å; E67-F75 CarbonylContact O-C 3.41Å; E67-F75 WeakPolarHBondContact O-CA 3Å; F68-F75 HydrophobicContact CB-CD1 3.98Å; F68-F75 HydrophobicContact CB-CE1 3.68Å; F68-F75 HydrophobicContact CB-CZ 4.37Å; F68-F75 HydrophobicContact CD2-CD1 4.02Å; F68-F75 HydrophobicContact CD2-CD2 4.19Å; F68-F75 AromaticContact CD2-CE1 3.73Å; F68-F75 HydrophobicContact CD2-CE1 3.73Å; F68-F75 AromaticContact CD2-CE2 3.89Å; F68-F75 HydrophobicContact CD2-CE2 3.89Å; F68-F75 HydrophobicContact CD2-CG 4.27Å; F68-F75 AromaticContact CD2-CZ 3.66Å; F68-F75 HydrophobicContact CD2-CZ 3.66Å; F68-F75 HydrophobicContact CE2-CE2 4.35Å; F68-F75 HydrophobicContact CE2-CZ 4.43Å; F68-F75 HydrophobicContact CG-CE1 4.15Å; F68-F75 HydrophobicContact CG-CZ 4.38Å; F75-M139 HydrophobicContact CB-CE 3.86Å; F75-M139 HydrophobicContact CD1-CE 3.57Å; F75-M139 HydrophobicContact CD2-CE 3.54Å; F75-M139 HydrophobicContact CE1-CB 4.39Å; F75-M139 HydrophobicContact CE1-CE 3.89Å; F75-M139 HydrophobicContact CE1-CG 4.04Å; F75-M139 HydrophobicContact CE2-CB 3.97Å; F75-M139 HydrophobicContact CE2-CE 3.88Å; F75-M139 HydrophobicContact CE2-CG 4.37Å; F75-M139 HydrophobicContact CG-CE 3.36Å; F75-M139 HydrophobicContact CZ-CB 3.72Å; F75-M139 HydrophobicContact CZ-CE 4.03Å; F75-M139 HydrophobicContact CZ-CG 3.89Å
76	T	89.1	Confident	86.2	Confident	70 Å²	70	78.5 Å²	78.5	43%	0.429	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	161.1	169.2	64.9	0	0	0	0	108.7	Y66 E67	Y66-T76 CarbonylContact C-O 3.49Å; Y66-T76 WeakPolarHBondContact CA-O 3.33Å; E67-T76 PolarHBondContact N-O 2.91Å; E67-T76 PolarHBondContact O-N 2.91Å
77	G	87.7	Confident	84.5	Confident	39 Å²	39	79.3 Å²	79.3	40%	0.402	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.5	178	-178.1	0	0	0	0	0	112	V79	G77-V79 PolarHBondContact O-N 2.84Å
78	T	88.4	Confident	82.3	Confident	62 Å²	62	82.9 Å²	82.9	38%	0.38	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.2	177.8	-60.8	0	0	0	0	109.6	F63 Q64 L80	F63-T78 CarbonylContact C-O 3.55Å; F63-T78 WeakPolarHBondContact CA-O 2.94Å; Q64-T78 PolarHBondContact N-O 3.03Å; Q64-T78 PolarHBondContact O-N 3.36Å; T78-L80 HydrophobicContact CG2-CD2 4.15Å; T78-L80 PolarHBondContact O-N 3.03Å
79	V	88.3	Confident	80.1	Confident	53 Å²	53	81.6 Å²	81.6	32%	0.321	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.7	173.5	-178.3	0	0	0	0	108.9	L61 F63 G77 Y81 N82	L61-V79 HydrophobicContact CD2-CG1 4.33Å; F63-V79 HydrophobicContact CD1-CG2 4.02Å; F63-V79 HydrophobicContact CE1-CG2 3.56Å; F63-V79 HydrophobicContact CZ-CG2 4Å; G77-V79 PolarHBondContact O-N 2.84Å; V79-Y81 WeakPolarHBondContact CG1-O 3.39Å; V79-N82 HydrophobicContact CG1-CB 4.1Å
80	L	87.2	Confident	78.1	Confident	10 Å²	10	84.3 Å²	84.3	5%	0.052	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-31.1	176	-62.2	-173.9	0	0	0	112.2	L62 Q64 T78 V102 L127	L62-L80 HydrophobicContact CB-CB 4.4Å; L62-L80 HydrophobicContact CD2-CB 4.25Å; L62-L80 HydrophobicContact CD2-CD1 4.28Å; L62-L80 HydrophobicContact CG-CB 4.38Å; L62-L80 PolarHBondContact O-N 2.89Å; Q64-L80 HydrophobicContact CB-CD1 3.85Å; Q64-L80 HydrophobicContact CB-CD2 4.26Å; Q64-L80 HydrophobicContact CB-CG 3.93Å; T78-L80 HydrophobicContact CG2-CD2 4.15Å; T78-L80 PolarHBondContact O-N 3.03Å; L80-V102 HydrophobicContact CB-CG2 4.19Å; L80-L127 HydrophobicContact CD1-CD2 4.03Å
81	Y	87.7	Confident	75.8	Confident	8 Å²	8	82.2 Å²	82.2	3%	0.031	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.7	-179.3	-174.7	-99.8	0	0	0	110.4	I60 L61 L62 V79 A83 V102 F104 L114	I60-Y81 HydrophobicContact CG2-CE1 4.04Å; L61-Y81 CarbonylContact C-O 3.59Å; L61-Y81 WeakPolarHBondContact CA-O 3.28Å; L62-Y81 PolarHBondContact N-O 2.84Å; L62-Y81 PolarHBondContact O-N 3.16Å; V79-Y81 WeakPolarHBondContact CG1-O 3.39Å; Y81-A83 HydrophobicContact CD1-CB 4.45Å; Y81-A83 HydrophobicContact CE1-CB 3.44Å; Y81-A83 VanDerWaalsContact CE1-CB 3.44Å; Y81-A83 WeakPolarHBondContact OH-CB 2.97Å; Y81-V102 HydrophobicContact CD2-CB 4.08Å; Y81-V102 HydrophobicContact CD2-CG1 4Å; Y81-V102 HydrophobicContact CG-CB 4.4Å; Y81-V102 HydrophobicContact CG-CG1 3.97Å; Y81-F104 HydrophobicContact CE1-CB 3.76Å; Y81-F104 HydrophobicContact CE1-CG 4.46Å; Y81-F104 HydrophobicContact CE2-CB 4.46Å; Y81-F104 WeakPolarHBondContact OH-CB 3.3Å; Y81-L114 HydrophobicContact CD1-CD2 4.39Å
82	N	86.3	Confident	73.5	Confident	39 Å²	39	78.7 Å²	78.7	21%	0.209	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	120.6	176.5	178.8	18.7	0	0	0	108.9	N59 I60 L61 V79	N59-N82 PolarHBondContact ND2-OD1 3.24Å; N59-N82 PolarHBondContact OD1-OD1 3.23Å; I60-N82 WeakPolarHBondContact O-CA 3.44Å; L61-N82 HydrophobicContact CD2-CB 4.22Å; L61-N82 HydrophobicContact CG-CB 4.31Å; V79-N82 HydrophobicContact CG1-CB 4.1Å
83	A	80.4	Confident	71.4	Confident	5 Å²	5	80.5 Å²	80.5	4%	0.041	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	107.4	176.8	0	0	0	0	0	112.2	N59 I60 Y81 R108	N59-A83 WeakPolarHBondContact CA-O 3.33Å; N59-A83 PolarHBondContact OD1-O 3.07Å; I60-A83 HydrophobicContact CG2-CB 3.79Å; I60-A83 PolarHBondContact N-O 2.96Å; I60-A83 PolarHBondContact O-N 3.02Å; Y81-A83 HydrophobicContact CD1-CB 4.45Å; Y81-A83 HydrophobicContact CE1-CB 3.44Å; Y81-A83 VanDerWaalsContact CE1-CB 3.44Å; Y81-A83 WeakPolarHBondContact OH-CB 2.97Å; A83-R108 PolarHBondContact O-NH2 2.88Å
84	T	80.3	Confident	69.4	Low	40 Å²	40	78.6 Å²	78.6	25%	0.245	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	156.3	-179.7	70.3	0	0	0	0	111.7	D58 T86 R108	D58-T84 CarbonylContact O-C 3.58Å; T84-T86 PolarHBondContact O-N 2.85Å; T84-T86 PolarHBondContact OG1-OG1 3.35Å; T84-R108 PolarHBondContact O-NH2 2.85Å
85	K	67.7	Low	67.2	Low	135 Å²	135	81 Å²	81	59%	0.587	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-17.9	-179.5	-169.5	178.6	-169.2	166	0	114.6	D58	D58-K85 WeakPolarHBondContact O-CB 3.42Å; D58-K85 PolarHBondContact O-N 2.61Å; D58-K85 VanDerWaalsContact OD1-CD 3.29Å; D58-K85 WeakPolarHBondContact OD1-CD 3.17Å; D58-K85 IonicContact OD1-NZ 3.28Å; D58-K85 PolarHBondContact OD1-NZ 3.08Å
86	T	57.3	Low	65.2	Low	124 Å²	124	81.6 Å²	81.6	76%	0.761	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.9	-165.8	25.4	0	0	0	0	116	T84 K88	T84-T86 PolarHBondContact O-N 2.85Å; T84-T86 PolarHBondContact OG1-OG1 3.35Å; T86-K88 PolarHBondContact O-N 3.05Å
87	E	54.9	Low	63.5	Low	74 Å²	74	78.6 Å²	78.6	35%	0.346	41%	0.407	S	S	.	.			trans	-94.1	94.8	178.2	-78.7	173.3	-175.7	0	0	110.8	D89 S92 L96	E87-D89 PolarHBondContact O-N 2.83Å; E87-S92 VanDerWaalsContact CB-OG 3.29Å; E87-S92 WeakPolarHBondContact CB-OG 3.11Å; E87-S92 VanDerWaalsContact CD-CB 3.44Å; E87-S92 WeakPolarHBondContact CG-OG 3.08Å; E87-S92 PolarHBondContact OE2-OG 3.34Å; E87-L96 VanDerWaalsContact OE1-CD1 3.32Å; E87-L96 WeakPolarHBondContact OE1-CD1 3.33Å; E87-L96 VanDerWaalsContact OE2-CD1 3.27Å; E87-L96 WeakPolarHBondContact OE2-CD1 3.42Å
88	K	45.4	Very low	61.7	Low	215 Å²	215	83.9 Å²	83.9	94%	0.935	42%	0.419	S	S	*	.			trans	-81.2	14.5	162.3	-88.8	-171.5	176.4	-177.4	0	112	T86	T86-K88 PolarHBondContact O-N 3.05Å
89	D	45.8	Very low	60	Low	82 Å²	82	87.3 Å²	87.3	44%	0.439	43%	0.431	S	S	.	.			trans	-115.4	109.7	-174.9	-171.4	4.2	0	0	0	110.8	E87 E91 S92	E87-D89 PolarHBondContact O-N 2.83Å; D89-E91 PolarHBondContact O-N 3.42Å; D89-E91 VanDerWaalsContact O-N 3.13Å; D89-E91 PolarHBondContact OD1-N 3.03Å; D89-S92 PolarHBondContact O-N 2.79Å; D89-S92 PolarHBondContact O-OG 3.08Å
90	P	49.6	Very low	59.2	Low	110 Å²	110	86.7 Å²	86.7	71%	0.714	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.1	176.2	-22.7	31.8	0	0	0	114
91	E	44	Very low	59.2	Low	134 Å²	134	87.2 Å²	87.2	63%	0.626	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-32.1	176.9	-73.7	-169	153.1	0	0	112.1	D89 L94 Y95	D89-E91 PolarHBondContact O-N 3.42Å; D89-E91 VanDerWaalsContact O-N 3.13Å; D89-E91 PolarHBondContact OD1-N 3.03Å; E91-L94 WeakPolarHBondContact O-CB 3.41Å; E91-L94 PolarHBondContact O-N 2.81Å; E91-Y95 WeakPolarHBondContact O-CD2 3.29Å
92	S	45.2	Very low	59.3	Low	18 Å²	18	87.2 Å²	87.2	13%	0.126	44%	0.437	C	S	.	.	H	α-helix	trans	-73.8	-27.4	-176.5	58.7	0	0	0	0	115.2	E87 D89 L94 Y95	E87-S92 VanDerWaalsContact CB-OG 3.29Å; E87-S92 WeakPolarHBondContact CB-OG 3.11Å; E87-S92 VanDerWaalsContact CD-CB 3.44Å; E87-S92 WeakPolarHBondContact CG-OG 3.08Å; E87-S92 PolarHBondContact OE2-OG 3.34Å; D89-S92 PolarHBondContact O-N 2.79Å; D89-S92 PolarHBondContact O-OG 3.08Å; S92-L94 PolarHBondContact O-N 2.79Å; S92-Y95 PolarHBondContact O-N 2.7Å
93	E	47.4	Very low	59.4	Low	112 Å²	112	88.5 Å²	88.5	52%	0.523	45%	0.446	S	S	.	.	H	α-helix	trans	-62.8	-27	171.6	-76.2	-170.9	154.6	0	0	112.5
94	L	45.3	Very low	59.8	Low	128 Å²	128	90.2 Å²	90.2	67%	0.67	45%	0.453	S	S	*	.	H	α-helix	trans	-77.5	-32.2	179.9	-159.5	73	0	0	0	112.4	E91 S92	E91-L94 WeakPolarHBondContact O-CB 3.41Å; E91-L94 PolarHBondContact O-N 2.81Å; S92-L94 PolarHBondContact O-N 2.79Å
95	Y	42.3	Very low	60.3	Low	192 Å²	192	91.3 Å²	91.3	75%	0.753	46%	0.457	S	S	*	.	H	α-helix	trans	-80.1	-26.1	-175.5	-75.5	-79.1	0	0	0	114.4	E91 S92	E91-Y95 WeakPolarHBondContact O-CD2 3.29Å; S92-Y95 PolarHBondContact O-N 2.7Å
96	L	49.2	Very low	61.3	Low	64 Å²	64	85.9 Å²	85.9	34%	0.335	44%	0.439	S	S	.	.	S	Bend	trans	-90.8	-13.2	-171.7	-82.5	160.8	0	0	0	115.4	E87	E87-L96 VanDerWaalsContact OE1-CD1 3.32Å; E87-L96 WeakPolarHBondContact OE1-CD1 3.33Å; E87-L96 VanDerWaalsContact OE2-CD1 3.27Å; E87-L96 WeakPolarHBondContact OE2-CD1 3.42Å
97	S	53.7	Low	62.8	Low	7 Å²	7	82.6 Å²	82.6	5%	0.049	42%	0.417	C	S	.	.	S	Bend	trans	-79.3	121.8	164.6	67.3	0	0	0	0	107.7	Q99 G100	S97-Q99 VanDerWaalsContact C-N 3.34Å; S97-Q99 PolarHBondContact O-N 3.19Å; S97-G100 PolarHBondContact O-N 2.92Å; S97-G100 WeakPolarHBondContact OG-CA 3.5Å; S97-G100 PolarHBondContact OG-N 3.44Å
98	K	48.7	Very low	64.4	Low	150 Å²	150	82.2 Å²	82.2	65%	0.652	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	103.6	169.8	-100.5	-175.4	173.6	-177.8	0	107.3
99	Q	54.4	Low	66.5	Low	134 Å²	134	77.1 Å²	77.1	63%	0.626	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	13.4	178.6	-53.2	166.9	-30.8	0	0	118.7	S97 R101 R120	S97-Q99 VanDerWaalsContact C-N 3.34Å; S97-Q99 PolarHBondContact O-N 3.19Å; Q99-R101 VanDerWaalsContact C-N 3.26Å; Q99-R101 HydrophobicContact CB-CG 4.22Å; Q99-R101 PolarHBondContact O-N 3.27Å; Q99-R120 VanDerWaalsContact OE1-CZ 3.26Å
100	G	70.4	Confident	68.7	Low	40 Å²	40	76.4 Å²	76.4	41%	0.412	39%	0.39	S	S	.	.	S	Bend	trans	77.3	3.9	176.5	0	0	0	0	0	115.4	S97	S97-G100 PolarHBondContact O-N 2.92Å; S97-G100 WeakPolarHBondContact OG-CA 3.5Å; S97-G100 PolarHBondContact OG-N 3.44Å
101	R	87.4	Confident	70.8	Confident	20 Å²	20	73 Å²	73	8%	0.075	37%	0.367	C	S	.	.			trans	-86.5	-21.9	-167.2	-60.2	-170.3	-60.4	116.9	0.1	115.2	Q99 I116 H117 P118 D123	Q99-R101 VanDerWaalsContact C-N 3.26Å; Q99-R101 HydrophobicContact CB-CG 4.22Å; Q99-R101 PolarHBondContact O-N 3.27Å; R101-I116 CarbonylContact O-C 3.56Å; R101-I116 VanDerWaalsContact O-CA 3.3Å; R101-I116 WeakPolarHBondContact O-CA 3.29Å; R101-H117 VanDerWaalsContact CA-O 3.29Å; R101-H117 WeakPolarHBondContact CA-O 3.48Å; R101-H117 WeakPolarHBondContact CB-O 3.14Å; R101-H117 PolarHBondContact O-N 3.19Å; R101-P118 PolarHBondContact NH1-O 2.75Å; R101-D123 IonicContact CZ-OD2 3.42Å; R101-D123 IonicContact NH1-OD1 3.7Å; R101-D123 IonicContact NH1-OD2 2.74Å; R101-D123 PolarHBondContact NH1-OD2 2.91Å; R101-D123 IonicContact NH2-OD1 2.87Å; R101-D123 IonicContact NH2-OD2 2.77Å
102	V	89.9	Confident	73.2	Confident	8 Å²	8	66.7 Å²	66.7	5%	0.048	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.6	-177.3	-172.9	0	0	0	0	109.1	L62 L80 Y81 L114 K115 I116	L62-V102 HydrophobicContact CD2-CG1 3.96Å; L62-V102 HydrophobicContact CD2-CG2 4.5Å; L80-V102 HydrophobicContact CB-CG2 4.19Å; Y81-V102 HydrophobicContact CD2-CB 4.08Å; Y81-V102 HydrophobicContact CD2-CG1 4Å; Y81-V102 HydrophobicContact CG-CB 4.4Å; Y81-V102 HydrophobicContact CG-CG1 3.97Å; V102-L114 HydrophobicContact CG1-CD2 4.13Å; V102-K115 CarbonylContact C-O 3.57Å; V102-K115 WeakPolarHBondContact CA-O 3.29Å; V102-I116 HydrophobicContact CG1-CG1 4.4Å; V102-I116 HydrophobicContact CG2-CG1 4.2Å; V102-I116 HydrophobicContact CG2-CG2 4.2Å
103	T	87.9	Confident	75.5	Confident	67 Å²	67	66.2 Å²	66.2	41%	0.411	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.6	179.2	-45.8	0	0	0	0	109.9	L105 L114 K115	T103-L105 HydrophobicContact CG2-CD2 3.82Å; T103-L114 CarbonylContact O-C 3.58Å; T103-L114 WeakPolarHBondContact O-CA 3.35Å; T103-K115 PolarHBondContact N-O 3.06Å; T103-K115 PolarHBondContact O-N 2.73Å
104	F	89.2	Confident	77.7	Confident	41 Å²	41	60.9 Å²	60.9	18%	0.18	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.6	168.8	-177.4	-119.8	0	0	0	110.3	I60 Y81 G106 N107 L114	I60-F104 HydrophobicContact CD1-CD2 3.84Å; I60-F104 HydrophobicContact CD1-CE2 3.4Å; I60-F104 HydrophobicContact CD1-CZ 4.11Å; Y81-F104 HydrophobicContact CE1-CB 3.76Å; Y81-F104 HydrophobicContact CE1-CG 4.46Å; Y81-F104 HydrophobicContact CE2-CB 4.46Å; Y81-F104 WeakPolarHBondContact OH-CB 3.3Å; F104-G106 VanDerWaalsContact CE1-C 3.47Å; F104-G106 VanDerWaalsContact CZ-C 3.47Å; F104-N107 WeakPolarHBondContact CZ-O 3.43Å; F104-L114 HydrophobicContact CB-CD2 4.19Å; F104-L114 HydrophobicContact CD2-CD2 3.93Å; F104-L114 HydrophobicContact CD2-CG 4.42Å
105	L	90	Very high	80	Confident	63 Å²	63	56.9 Å²	56.9	33%	0.33	29%	0.286	S	S	.	.			trans	-104	0.9	178.9	-55.8	-178.6	0	0	0	112.1	R43 T103 T113 K115	R43-L105 HydrophobicContact CG-CD1 4.49Å; T103-L105 HydrophobicContact CG2-CD2 3.82Å; L105-T113 WeakPolarHBondContact CA-O 3.34Å; L105-T113 HydrophobicContact CB-CG2 4.06Å; L105-T113 HydrophobicContact CD1-CG2 4.34Å; L105-T113 PolarHBondContact N-O 2.7Å; L105-K115 HydrophobicContact CD1-CB 3.74Å; L105-K115 HydrophobicContact CG-CB 4.2Å
106	G	89.7	Confident	82.4	Confident	21 Å²	21	47.8 Å²	47.8	22%	0.216	25%	0.25	C	C	.	.	S	Bend	trans	-85.4	-157	-176.4	0	0	0	0	0	113.4	F104 N111 T113	F104-G106 VanDerWaalsContact CE1-C 3.47Å; F104-G106 VanDerWaalsContact CZ-C 3.47Å; G106-N111 CarbonylContact C-O 3.51Å; G106-N111 WeakPolarHBondContact CA-O 3.4Å; G106-T113 PolarHBondContact N-O 3.42Å; G106-T113 VanDerWaalsContact N-O 3.16Å
107	N	88.6	Confident	84.5	Confident	54 Å²	54	48.7 Å²	48.7	29%	0.289	25%	0.252	S	S	.	.			trans	-143	173.2	175.1	66.7	39.9	0	0	0	109.3	F104 I109 D110 N111	F104-N107 WeakPolarHBondContact CZ-O 3.43Å; N107-I109 VanDerWaalsContact C-N 3.26Å; N107-I109 PolarHBondContact O-N 2.83Å; N107-I109 WeakPolarHBondContact OD1-CA 3.34Å; N107-I109 WeakPolarHBondContact OD1-CB 3.35Å; N107-I109 PolarHBondContact OD1-N 3.28Å; N107-D110 PolarHBondContact ND2-OD1 3.31Å; N107-D110 PolarHBondContact OD1-N 3.2Å; N107-D110 PolarHBondContact OD1-OD1 2.82Å; N107-N111 PolarHBondContact N-O 2.77Å; N107-N111 PolarHBondContact OD1-N 2.68Å; N107-N111 VanDerWaalsContact OD1-N 3.12Å
108	R	88.9	Confident	86.3	Confident	67 Å²	67	51 Å²	51	25%	0.253	27%	0.267	S	S	.	.	S	Bend	trans	-88.8	17.6	178.3	-62.8	-179.4	177.1	-83.7	-6.4	113.6	Y48 R56 L57 D58 A83 T84	Y48-R108 PolarHBondContact OH-O 3.35Å; Y48-R108 VanDerWaalsContact OH-O 3.12Å; R56-R108 WeakPolarHBondContact CA-O 3.21Å; R56-R108 HydrophobicContact CB-CB 4.45Å; R56-R108 WeakPolarHBondContact CB-O 3.05Å; L57-R108 HydrophobicContact CB-CB 4.31Å; L57-R108 HydrophobicContact CB-CG 4.45Å; L57-R108 PolarHBondContact N-O 2.97Å; L57-R108 VanDerWaalsContact N-O 3.09Å; L57-R108 WeakPolarHBondContact O-CD 3.11Å; L57-R108 PolarHBondContact O-NH1 3.05Å; D58-R108 PolarHBondContact O-NH1 3.46Å; A83-R108 PolarHBondContact O-NH2 2.88Å; T84-R108 PolarHBondContact O-NH2 2.85Å
109	I	89.8	Confident	88.5	Confident	108 Å²	108	43.8 Å²	43.8	55%	0.554	24%	0.236	S	C	*	.	S	Bend	trans	-110.9	-60.3	-175.9	-55.6	175	0	0	0	111.1	Y48 N107	Y48-I109 WeakPolarHBondContact CE2-O 3.22Å; Y48-I109 VanDerWaalsContact CZ-C 3.5Å; Y48-I109 WeakPolarHBondContact OH-CA 3.35Å; Y48-I109 PolarHBondContact OH-N 2.74Å; Y48-I109 PolarHBondContact OH-O 3Å; N107-I109 VanDerWaalsContact C-N 3.26Å; N107-I109 PolarHBondContact O-N 2.83Å; N107-I109 WeakPolarHBondContact OD1-CA 3.34Å; N107-I109 WeakPolarHBondContact OD1-CB 3.35Å; N107-I109 PolarHBondContact OD1-N 3.28Å
110	D	91.6	Very high	90.4	Very high	66 Å²	66	42 Å²	42	35%	0.353	22%	0.223	S	C	.	.	S	Bend	trans	-151.7	-1.9	-169.8	70.5	-22	0	0	0	114.9	K47 Y48 N107	K47-D110 CarbonylContact C-O 3.54Å; K47-D110 VanDerWaalsContact CA-O 3.24Å; K47-D110 WeakPolarHBondContact CA-O 3.29Å; Y48-D110 VanDerWaalsContact CE1-C 3.49Å; Y48-D110 PolarHBondContact N-O 3.43Å; Y48-D110 WeakPolarHBondContact O-CA 3.45Å; Y48-D110 PolarHBondContact OH-N 2.79Å; N107-D110 PolarHBondContact ND2-OD1 3.31Å; N107-D110 PolarHBondContact OD1-N 3.2Å; N107-D110 PolarHBondContact OD1-OD1 2.82Å
111	N	93.4	Very high	91.5	Very high	40 Å²	40	41.1 Å²	41.1	21%	0.214	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-119.8	117.8	-173.5	-176.6	-9.5	0	0	0	110.6	C46 G106 N107 T113	C46-N111 PolarHBondContact O-OD1 3.07Å; G106-N111 CarbonylContact C-O 3.51Å; G106-N111 WeakPolarHBondContact CA-O 3.4Å; N107-N111 PolarHBondContact N-O 2.77Å; N107-N111 PolarHBondContact OD1-N 2.68Å; N107-N111 VanDerWaalsContact OD1-N 3.12Å; N111-T113 WeakPolarHBondContact OD1-CB 3.48Å; N111-T113 PolarHBondContact OD1-N 3.05Å; N111-T113 PolarHBondContact OD1-OG1 3.02Å
112	C	94.1	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.			trans	-106.8	18.2	-179.9	39	0	0	0	0	113	C46 K47 Y48 L114 L129 M131	C46-C112 HydrophobicContact CB-CB 3.85Å; C46-C112 WeakPolarHBondContact CB-SG 3.38Å; C46-C112 PolarHBondContact O-N 2.77Å; C46-C112 PolarHBondContact O-SG 3.42Å; C46-C112 WeakPolarHBondContact SG-CB 3.38Å; C46-C112 CovalentContact SG-SG 2.03Å; C46-C112 PolarHBondContact SG-SG 2.82Å; K47-C112 PolarHBondContact N-SG 3.04Å; Y48-C112 HydrophobicContact CD1-CB 3.75Å; Y48-C112 HydrophobicContact CE1-CB 4.38Å; C112-L114 PolarHBondContact O-N 2.88Å; C112-L129 HydrophobicContact CB-CD2 3.91Å; C112-M131 HydrophobicContact CB-SD 4.31Å
113	T	94.7	Very high	91.8	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.049	24%	0.239	C	C	.	.			trans	-61.2	131.4	-172.5	-61.2	0	0	0	0	111.9	R43 I44 C46 L105 G106 N111	R43-T113 HydrophobicContact CG-CG2 4.09Å; I44-T113 VanDerWaalsContact O-CA 3.29Å; I44-T113 WeakPolarHBondContact O-CA 3.23Å; I44-T113 WeakPolarHBondContact O-CG2 3.31Å; C46-T113 PolarHBondContact N-OG1 3.12Å; C46-T113 PolarHBondContact O-OG1 2.88Å; L105-T113 WeakPolarHBondContact CA-O 3.34Å; L105-T113 HydrophobicContact CB-CG2 4.06Å; L105-T113 HydrophobicContact CD1-CG2 4.34Å; L105-T113 PolarHBondContact N-O 2.7Å; G106-T113 PolarHBondContact N-O 3.42Å; G106-T113 VanDerWaalsContact N-O 3.16Å; N111-T113 WeakPolarHBondContact OD1-CB 3.48Å; N111-T113 PolarHBondContact OD1-N 3.05Å; N111-T113 PolarHBondContact OD1-OG1 3.02Å
114	L	93	Very high	92.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153.1	178.7	-72.3	159.4	0	0	0	110.7	R43 I44 L62 Y81 V102 T103 F104 C112 L129	R43-L114 WeakPolarHBondContact CA-O 3.37Å; I44-L114 HydrophobicContact CD1-CB 4.44Å; I44-L114 PolarHBondContact N-O 2.78Å; I44-L114 PolarHBondContact O-N 3.14Å; L62-L114 HydrophobicContact CD1-CD1 4.06Å; L62-L114 HydrophobicContact CD2-CD1 4.32Å; Y81-L114 HydrophobicContact CD1-CD2 4.39Å; V102-L114 HydrophobicContact CG1-CD2 4.13Å; T103-L114 CarbonylContact O-C 3.58Å; T103-L114 WeakPolarHBondContact O-CA 3.35Å; F104-L114 HydrophobicContact CB-CD2 4.19Å; F104-L114 HydrophobicContact CD2-CD2 3.93Å; F104-L114 HydrophobicContact CD2-CG 4.42Å; C112-L114 PolarHBondContact O-N 2.88Å; L114-L129 HydrophobicContact CD1-CD1 3.66Å
115	K	92.8	Very high	92.2	Very high	44 Å²	44	44 Å²	44	19%	0.191	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.6	167.9	176.7	174.6	175.4	174.7	0	109.4	I42 V102 T103 L105 F178	I42-K115 CarbonylContact O-C 3.1Å; I42-K115 VanDerWaalsContact O-CA 3.29Å; I42-K115 WeakPolarHBondContact O-CA 3.15Å; V102-K115 CarbonylContact C-O 3.57Å; V102-K115 WeakPolarHBondContact CA-O 3.29Å; T103-K115 PolarHBondContact N-O 3.06Å; T103-K115 PolarHBondContact O-N 2.73Å; L105-K115 HydrophobicContact CD1-CB 3.74Å; L105-K115 HydrophobicContact CG-CB 4.2Å; K115-F178 PolarHBondContact NZ-O 3.29Å
116	I	93.1	Very high	92.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.3	170	-45.2	176.7	0	0	0	107.9	C41 I42 L62 R101 V102 L127 L144	C41-I116 VanDerWaalsContact CA-O 3.28Å; C41-I116 WeakPolarHBondContact CA-O 3.48Å; C41-I116 WeakPolarHBondContact CB-O 3.39Å; I42-I116 HydrophobicContact CG2-CB 3.81Å; I42-I116 HydrophobicContact CG2-CD1 4.13Å; I42-I116 HydrophobicContact CG2-CG1 3.96Å; I42-I116 PolarHBondContact N-O 3.42Å; I42-I116 PolarHBondContact O-N 2.75Å; L62-I116 HydrophobicContact CD2-CD1 4.15Å; R101-I116 CarbonylContact O-C 3.56Å; R101-I116 VanDerWaalsContact O-CA 3.3Å; R101-I116 WeakPolarHBondContact O-CA 3.29Å; V102-I116 HydrophobicContact CG1-CG1 4.4Å; V102-I116 HydrophobicContact CG2-CG1 4.2Å; V102-I116 HydrophobicContact CG2-CG2 4.2Å; I116-L127 HydrophobicContact CD1-CD1 3.93Å; I116-L144 HydrophobicContact CD1-CD1 4.38Å
117	H	92.3	Very high	92.5	Very high	83 Å²	83	44.2 Å²	44.2	38%	0.384	23%	0.233	S	C	.	.	S	Bend	trans	-150.6	128.3	179	-177.3	50.9	0	0	0	112.4	A40 C41 R101	A40-H117 PolarHBondContact O-ND1 3.5Å; C41-H117 HydrophobicContact CB-CB 3.61Å; C41-H117 WeakPolarHBondContact CB-ND1 3.31Å; R101-H117 VanDerWaalsContact CA-O 3.29Å; R101-H117 WeakPolarHBondContact CA-O 3.48Å; R101-H117 WeakPolarHBondContact CB-O 3.14Å; R101-H117 PolarHBondContact O-N 3.19Å
118	P	93.1	Very high	92.8	Very high	55 Å²	55	41.6 Å²	41.6	36%	0.357	22%	0.219	S	C	.	.	S	Bend	cis	-68.8	146.7	-14	29.5	-34.4	0	0	0	111.4	A40 R101	A40-P118 VanDerWaalsContact O-CA 3.27Å; A40-P118 WeakPolarHBondContact O-CA 3.46Å; R101-P118 PolarHBondContact NH1-O 2.75Å
119	I	93.8	Very high	93	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.208	C	C	.	.			trans	-85.4	143.5	169.9	-166.8	156.2	0	0	0	110.5	A36 W37 G39 A40 I42 D123 L144 V146	A36-I119 HydrophobicContact CB-CD1 4.39Å; A36-I119 HydrophobicContact CB-CG2 3.81Å; W37-I119 WeakPolarHBondContact O-CG2 3.44Å; G39-I119 PolarHBondContact N-O 2.85Å; A40-I119 HydrophobicContact CB-CG2 4.45Å; A40-I119 PolarHBondContact O-N 2.89Å; I42-I119 HydrophobicContact CB-CD1 3.78Å; I42-I119 HydrophobicContact CD1-CD1 4.01Å; I42-I119 HydrophobicContact CG2-CD1 3.48Å; I42-I119 VanDerWaalsContact CG2-CD1 3.48Å; I119-D123 HydrophobicContact CD1-CB 4.37Å; I119-D123 HydrophobicContact CG1-CB 3.88Å; I119-L144 HydrophobicContact CD1-CD1 4.14Å; I119-V146 HydrophobicContact CD1-CG2 3.54Å; I119-V146 HydrophobicContact CG1-CG1 4.13Å; I119-V146 HydrophobicContact CG1-CG2 3.88Å; I119-V146 HydrophobicContact CG2-CG1 4.3Å
120	R	93.7	Very high	93.3	Very high	96 Å²	96	35.5 Å²	35.5	36%	0.362	19%	0.189	S	C	.	.			trans	-111	153.2	-178.9	-61.9	179.3	177.2	150.8	5.4	110.6	Q99 N122 D123 V146	Q99-R120 VanDerWaalsContact OE1-CZ 3.26Å; R120-N122 PolarHBondContact O-N 2.99Å; R120-D123 PolarHBondContact N-OD2 3.27Å; R120-D123 WeakPolarHBondContact O-CA 3.27Å; R120-D123 VanDerWaalsContact O-CB 3.25Å; R120-D123 WeakPolarHBondContact O-CB 3.32Å; R120-D123 PolarHBondContact O-N 3.31Å; R120-V146 WeakPolarHBondContact O-CG1 3.25Å
121	A	94.9	Very high	93.4	Very high	21 Å²	21	32.3 Å²	32.3	17%	0.174	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-56.5	-36.3	175.3	0	0	0	0	0	112.3	E38 D123 S124 E148	E38-A121 HydrophobicContact CB-CB 4.47Å; A121-D123 PolarHBondContact O-N 3.38Å; A121-S124 WeakPolarHBondContact O-CB 3.27Å; A121-S124 PolarHBondContact O-N 3.33Å; A121-E148 HydrophobicContact CB-CG 3.94Å
122	N	91.8	Very high	93.3	Very high	125 Å²	125	31.7 Å²	31.7	67%	0.668	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-68.1	-13.5	175.1	-168.8	51.9	0	0	0	114	Q64 R120 S124	Q64-N122 PolarHBondContact NE2-O 3.39Å; R120-N122 PolarHBondContact O-N 2.99Å; N122-S124 PolarHBondContact O-N 2.82Å
123	D	92.3	Very high	93.2	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.021	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-75.5	-7.4	172	-59.6	-32.1	0	0	0	111.8	R101 I119 R120 A121	R101-D123 IonicContact CZ-OD2 3.42Å; R101-D123 IonicContact NH1-OD1 3.7Å; R101-D123 IonicContact NH1-OD2 2.74Å; R101-D123 PolarHBondContact NH1-OD2 2.91Å; R101-D123 IonicContact NH2-OD1 2.87Å; R101-D123 IonicContact NH2-OD2 2.77Å; I119-D123 HydrophobicContact CD1-CB 4.37Å; I119-D123 HydrophobicContact CG1-CB 3.88Å; R120-D123 PolarHBondContact N-OD2 3.27Å; R120-D123 WeakPolarHBondContact O-CA 3.27Å; R120-D123 VanDerWaalsContact O-CB 3.25Å; R120-D123 WeakPolarHBondContact O-CB 3.32Å; R120-D123 PolarHBondContact O-N 3.31Å; A121-D123 PolarHBondContact O-N 3.38Å
124	S	94.2	Very high	92.9	Very high	46 Å²	46	33.8 Å²	33.8	32%	0.322	19%	0.194	S	C	.	.			trans	-63.6	145.3	175	-165.7	0	0	0	0	112.2	A121 N122 L144 V146	A121-S124 WeakPolarHBondContact O-CB 3.27Å; A121-S124 PolarHBondContact O-N 3.33Å; N122-S124 PolarHBondContact O-N 2.82Å; S124-L144 PolarHBondContact OG-O 2.89Å; S124-V146 PolarHBondContact OG-N 2.84Å; S124-V146 VanDerWaalsContact OG-N 3.11Å
125	G	91.4	Very high	92.7	Very high	22 Å²	22	38.9 Å²	38.9	23%	0.227	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	119	-151.5	-179.4	0	0	0	0	0	112.9	L144	G125-L144 PolarHBondContact N-O 3.43Å; G125-L144 PolarHBondContact O-N 2.86Å
126	N	90.9	Very high	92.6	Very high	87 Å²	87	39.8 Å²	39.8	47%	0.465	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.5	-176.6	-64.6	-31.3	0	0	0	110.6	H143	N126-H143 PolarHBondContact OD1-ND1 2.92Å
127	L	93.3	Very high	92.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148.6	164.8	-59.3	-172	0	0	0	110	L62 F63 Q64 L80 I116 P141 I142 L144	L62-L127 HydrophobicContact CD1-CB 4Å; L62-L127 HydrophobicContact CD1-CD1 4.07Å; L62-L127 HydrophobicContact CD2-CD1 4.11Å; L62-L127 HydrophobicContact CG-CD1 4.31Å; F63-L127 CarbonylContact O-C 3.54Å; F63-L127 VanDerWaalsContact O-CA 3.27Å; F63-L127 WeakPolarHBondContact O-CA 3.41Å; Q64-L127 HydrophobicContact CB-CD2 3.95Å; Q64-L127 HydrophobicContact CG-CD2 4.06Å; L80-L127 HydrophobicContact CD1-CD2 4.03Å; I116-L127 HydrophobicContact CD1-CD1 3.93Å; L127-P141 CarbonylContact O-C 3.55Å; L127-P141 WeakPolarHBondContact O-CA 3.34Å; L127-I142 HydrophobicContact CB-CB 4.33Å; L127-I142 PolarHBondContact N-O 2.89Å; L127-I142 PolarHBondContact O-N 3.39Å; L127-L144 HydrophobicContact CD1-CD1 3.35Å; L127-L144 HydrophobicContact CD1-CG 3.99Å; L127-L144 HydrophobicContact CG-CD1 3.88Å; L127-L144 HydrophobicContact CG-CG 4.14Å
128	G	94.8	Very high	92.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.4	175.5	0	0	0	0	0	110.4	F63 Y66 R130 M139	F63-G128 PolarHBondContact N-O 2.84Å; F63-G128 PolarHBondContact O-N 2.82Å; Y66-G128 VanDerWaalsContact CD1-CA 3.47Å; G128-R130 PolarHBondContact O-N 2.85Å; G128-M139 VanDerWaalsContact C-SD 3.58Å; G128-M139 VanDerWaalsContact CA-SD 3.57Å
129	L	95.1	Very high	92.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	100.8	172.7	-175.1	64.5	0	0	0	109.7	I60 L62 C112 L114 M131 E140 I142	I60-L129 HydrophobicContact CD1-CD1 3.87Å; I60-L129 HydrophobicContact CG1-CD1 3.63Å; I60-L129 HydrophobicContact CG1-CG 4.49Å; L62-L129 HydrophobicContact CD1-CD1 4.34Å; C112-L129 HydrophobicContact CB-CD2 3.91Å; L114-L129 HydrophobicContact CD1-CD1 3.66Å; L129-M131 HydrophobicContact CD2-CE 4.25Å; L129-M131 HydrophobicContact CD2-SD 4.17Å; L129-M131 HydrophobicContact CG-CG 4.23Å; L129-M131 HydrophobicContact CG-SD 4.49Å; L129-E140 HydrophobicContact CB-CB 4.25Å; L129-E140 PolarHBondContact N-O 3.39Å; L129-E140 PolarHBondContact O-N 3.11Å; L129-I142 HydrophobicContact CB-CD1 3.79Å; L129-I142 HydrophobicContact CD2-CD1 4.27Å
130	R	94.8	Very high	92.7	Very high	45 Å²	45	47.2 Å²	47.2	17%	0.17	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.7	179.1	-179.6	48.9	161.4	-172.9	-2.8	110.1	I60 L61 F63 G128 R137 W138 M139	I60-R130 WeakPolarHBondContact CA-O 3.4Å; L61-R130 HydrophobicContact CB-CB 4.2Å; L61-R130 HydrophobicContact CD1-CB 4.32Å; L61-R130 HydrophobicContact CD1-CG 4.06Å; L61-R130 PolarHBondContact N-O 2.96Å; L61-R130 PolarHBondContact O-N 2.78Å; F63-R130 HydrophobicContact CD2-CB 3.96Å; F63-R130 HydrophobicContact CE2-CB 3.76Å; F63-R130 HydrophobicContact CE2-CG 4.16Å; G128-R130 PolarHBondContact O-N 2.85Å; R130-R137 VanDerWaalsContact NH2-CB 3.32Å; R130-W138 WeakPolarHBondContact CA-O 3.25Å; R130-W138 WeakPolarHBondContact CD-O 3.25Å; R130-W138 PolarHBondContact NH1-O 2.83Å; R130-M139 HydrophobicContact CB-CE 3.87Å; R130-M139 HydrophobicContact CB-SD 4.04Å; R130-M139 HydrophobicContact CG-CE 4.31Å
131	M	93.8	Very high	92.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.8	179.2	-72.5	-180	-69.3	0	0	111.1	W26 V28 Y48 L57 I60 C112 L129 R137 W138 E140	W26-M131 HydrophobicContact CE3-CE 4.4Å; W26-M131 HydrophobicContact CH2-CB 4.05Å; W26-M131 HydrophobicContact CZ3-CB 3.95Å; W26-M131 HydrophobicContact CZ3-CE 4.34Å; W26-M131 HydrophobicContact CZ3-SD 4.33Å; V28-M131 HydrophobicContact CB-CE 4.48Å; V28-M131 HydrophobicContact CG1-CE 4.1Å; V28-M131 HydrophobicContact CG2-CE 3.49Å; V28-M131 VanDerWaalsContact CG2-CE 3.49Å; Y48-M131 HydrophobicContact CD1-SD 4.29Å; Y48-M131 HydrophobicContact CG-SD 4.09Å; L57-M131 HydrophobicContact CD1-CG 4.34Å; L57-M131 HydrophobicContact CD1-SD 4.21Å; L57-M131 HydrophobicContact CD2-CB 3.75Å; L57-M131 HydrophobicContact CD2-CG 4.12Å; L57-M131 HydrophobicContact CD2-SD 4.45Å; I60-M131 HydrophobicContact CG1-CG 4.34Å; C112-M131 HydrophobicContact CB-SD 4.31Å; L129-M131 HydrophobicContact CD2-CE 4.25Å; L129-M131 HydrophobicContact CD2-SD 4.17Å; L129-M131 HydrophobicContact CG-CG 4.23Å; L129-M131 HydrophobicContact CG-SD 4.49Å; M131-R137 WeakPolarHBondContact O-CA 3.46Å; M131-W138 PolarHBondContact N-O 3.38Å; M131-W138 PolarHBondContact O-N 2.74Å; M131-E140 HydrophobicContact CE-CB 4.5Å
132	T	92.4	Very high	92.7	Very high	26 Å²	26	44.8 Å²	44.8	16%	0.16	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.8	174.8	64.7	0	0	0	0	111.6	D58 N59 E136 R137	D58-T132 PolarHBondContact N-O 2.86Å; N59-T132 VanDerWaalsContact CB-OG1 3.24Å; N59-T132 WeakPolarHBondContact CB-OG1 3.33Å; N59-T132 PolarHBondContact N-O 3.48Å; N59-T132 PolarHBondContact N-OG1 2.87Å; N59-T132 PolarHBondContact O-N 2.81Å; T132-E136 WeakPolarHBondContact CA-O 3.45Å; T132-R137 HydrophobicContact CG2-CB 4.26Å; T132-R137 HydrophobicContact CG2-CG 4Å
133	A	91.4	Very high	92.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	106.5	175.7	0	0	0	0	0	109.9	W26 T50 A55 L57 T135 E136	W26-A133 HydrophobicContact CH2-CB 3.99Å; W26-A133 HydrophobicContact CZ2-CB 4.2Å; T50-A133 HydrophobicContact CG2-CB 4.06Å; A55-A133 HydrophobicContact CB-CB 4.3Å; L57-A133 HydrophobicContact CD2-CB 4.39Å; A133-T135 PolarHBondContact O-N 3.04Å; A133-E136 PolarHBondContact N-O 3.27Å; A133-E136 WeakPolarHBondContact O-CB 3.35Å; A133-E136 PolarHBondContact O-N 2.96Å
134	G	88.3	Confident	92.8	Very high	53 Å²	53	42.3 Å²	42.3	55%	0.546	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-119.3	-172.4	0	0	0	0	0	111.5	D58	D58-G134 PolarHBondContact OD2-N 3.3Å
135	T	87.9	Confident	92.9	Very high	107 Å²	107	43 Å²	43	66%	0.656	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.6	176	51.1	0	0	0	0	113.1	A133	A133-T135 PolarHBondContact O-N 3.04Å
136	E	91.3	Very high	93.1	Very high	64 Å²	64	42.4 Å²	42.4	30%	0.299	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.3	-173.8	-64.9	-52.8	128.5	0	0	112	W26 P51 L52 T132 A133	W26-E136 HydrophobicContact CZ2-CB 3.72Å; P51-E136 HydrophobicContact CB-CG 4.26Å; P51-E136 HydrophobicContact CG-CG 4.29Å; L52-E136 HydrophobicContact CD1-CG 3.75Å; L52-E136 HydrophobicContact CG-CG 3.76Å; T132-E136 WeakPolarHBondContact CA-O 3.45Å; A133-E136 PolarHBondContact N-O 3.27Å; A133-E136 WeakPolarHBondContact O-CB 3.35Å; A133-E136 PolarHBondContact O-N 2.96Å
137	R	91.5	Very high	93.4	Very high	166 Å²	166	39.4 Å²	39.4	63%	0.626	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.6	-179.9	-46.7	-177.3	178.5	122.8	-1.8	110.9	R130 M131 T132	R130-R137 VanDerWaalsContact NH2-CB 3.32Å; M131-R137 WeakPolarHBondContact O-CA 3.46Å; T132-R137 HydrophobicContact CG2-CB 4.26Å; T132-R137 HydrophobicContact CG2-CG 4Å
138	W	94	Very high	93.6	Very high	76 Å²	76	46.5 Å²	46.5	29%	0.288	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.4	-179	-171.5	-108	0	0	0	112	W26 R130 M131 E140	W26-W138 HydrophobicContact CB-CB 4.23Å; W26-W138 HydrophobicContact CB-CD2 3.67Å; W26-W138 HydrophobicContact CB-CE3 3.9Å; W26-W138 HydrophobicContact CB-CG 3.8Å; W26-W138 AromaticContact CD1-CE3 3.93Å; W26-W138 HydrophobicContact CD2-CB 3.51Å; W26-W138 HydrophobicContact CD2-CG 4.03Å; W26-W138 HydrophobicContact CE3-CB 3.95Å; W26-W138 HydrophobicContact CE3-CG 4.41Å; W26-W138 HydrophobicContact CG-CB 3.62Å; W26-W138 AromaticContact CG-CD2 3.94Å; W26-W138 HydrophobicContact CG-CD2 3.94Å; W26-W138 HydrophobicContact CG-CE3 4.06Å; W26-W138 AromaticContact CG-CG 3.75Å; W26-W138 HydrophobicContact CG-CG 3.75Å; W26-W138 HydrophobicContact CZ2-CB 4.35Å; R130-W138 WeakPolarHBondContact CA-O 3.25Å; R130-W138 WeakPolarHBondContact CD-O 3.25Å; R130-W138 PolarHBondContact NH1-O 2.83Å; M131-W138 PolarHBondContact N-O 3.38Å; M131-W138 PolarHBondContact O-N 2.74Å; W138-E140 PolarHBondContact NE1-OE2 3.13Å
139	M	94.1	Very high	93.6	Very high	22 Å²	22	54.1 Å²	54.1	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	104.2	173.5	178.6	65.3	85.2	0	0	107.8	F63 Y66 F75 G128 R130	F63-M139 HydrophobicContact CD2-CE 4.02Å; F63-M139 HydrophobicContact CE2-CE 4.36Å; Y66-M139 HydrophobicContact CD2-CE 4.01Å; Y66-M139 HydrophobicContact CD2-CG 4.25Å; Y66-M139 HydrophobicContact CD2-SD 4.29Å; Y66-M139 HydrophobicContact CE2-CE 4.4Å; Y66-M139 HydrophobicContact CE2-CG 3.69Å; Y66-M139 HydrophobicContact CE2-SD 4.2Å; Y66-M139 HydrophobicContact CG-CE 4.38Å; F75-M139 HydrophobicContact CB-CE 3.86Å; F75-M139 HydrophobicContact CD1-CE 3.57Å; F75-M139 HydrophobicContact CD2-CE 3.54Å; F75-M139 HydrophobicContact CE1-CB 4.39Å; F75-M139 HydrophobicContact CE1-CE 3.89Å; F75-M139 HydrophobicContact CE1-CG 4.04Å; F75-M139 HydrophobicContact CE2-CB 3.97Å; F75-M139 HydrophobicContact CE2-CE 3.88Å; F75-M139 HydrophobicContact CE2-CG 4.37Å; F75-M139 HydrophobicContact CG-CE 3.36Å; F75-M139 HydrophobicContact CZ-CB 3.72Å; F75-M139 HydrophobicContact CZ-CE 4.03Å; F75-M139 HydrophobicContact CZ-CG 3.89Å; G128-M139 VanDerWaalsContact C-SD 3.58Å; G128-M139 VanDerWaalsContact CA-SD 3.57Å; R130-M139 HydrophobicContact CB-CE 3.87Å; R130-M139 HydrophobicContact CB-SD 4.04Å; R130-M139 HydrophobicContact CG-CE 4.31Å
140	E	95.1	Very high	93.7	Very high	30 Å²	30	55.9 Å²	55.9	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	120.8	178.8	-171.9	63.2	-145.6	0	0	110.6	V28 H30 L129 M131 W138	V28-E140 HydrophobicContact CB-CB 4.34Å; V28-E140 HydrophobicContact CB-CG 3.83Å; V28-E140 HydrophobicContact CG1-CB 4.27Å; V28-E140 HydrophobicContact CG1-CG 3.81Å; V28-E140 HydrophobicContact CG2-CB 4.24Å; V28-E140 HydrophobicContact CG2-CG 4.25Å; H30-E140 WeakPolarHBondContact NE2-CG 3.41Å; H30-E140 IonicContact NE2-OE1 2.79Å; H30-E140 PolarHBondContact NE2-OE1 2.82Å; L129-E140 HydrophobicContact CB-CB 4.25Å; L129-E140 PolarHBondContact N-O 3.39Å; L129-E140 PolarHBondContact O-N 3.11Å; M131-E140 HydrophobicContact CE-CB 4.5Å; W138-E140 PolarHBondContact NE1-OE2 3.13Å
141	P	94.4	Very high	93.7	Very high	64 Å²	64	56.1 Å²	56.1	42%	0.416	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.8	173.2	29.7	-32.5	0	0	0	111.5	H30 L127	H30-P141 PolarHBondContact CE1-O 3.3Å; H30-P141 PolarHBondContact NE2-O 2.78Å; L127-P141 CarbonylContact O-C 3.55Å; L127-P141 WeakPolarHBondContact O-CA 3.34Å
142	I	93.8	Very high	93.8	Very high	1 Å²	1	62 Å²	62	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.3	175.4	-58	167.5	0	0	0	108.5	I44 L127 L129 L144	I44-I142 HydrophobicContact CD1-CG2 4.4Å; I44-I142 HydrophobicContact CG2-CD1 4.21Å; I44-I142 HydrophobicContact CG2-CG2 4.14Å; L127-I142 HydrophobicContact CB-CB 4.33Å; L127-I142 PolarHBondContact N-O 2.89Å; L127-I142 PolarHBondContact O-N 3.39Å; L129-I142 HydrophobicContact CB-CD1 3.79Å; L129-I142 HydrophobicContact CD2-CD1 4.27Å; I142-L144 HydrophobicContact CG2-CD2 3.97Å
143	H	93.3	Very high	94.1	Very high	77 Å²	77	61 Å²	61	36%	0.356	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.6	179.7	-167.6	63.5	0	0	0	111.3	L34 N126	L34-H143 PolarHBondContact N-O 3.12Å; N126-H143 PolarHBondContact OD1-ND1 2.92Å
144	L	94	Very high	94.4	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136	174.3	-57.4	-167.2	0	0	0	110.1	L34 I42 I44 I116 I119 S124 G125 L127 I142 V146	L34-L144 HydrophobicContact CB-CD2 4Å; L34-L144 HydrophobicContact CD1-CD2 4.21Å; I42-L144 HydrophobicContact CD1-CD1 4.39Å; I42-L144 HydrophobicContact CD1-CD2 3.78Å; I44-L144 HydrophobicContact CD1-CD2 4.33Å; I116-L144 HydrophobicContact CD1-CD1 4.38Å; I119-L144 HydrophobicContact CD1-CD1 4.14Å; S124-L144 PolarHBondContact OG-O 2.89Å; G125-L144 PolarHBondContact N-O 3.43Å; G125-L144 PolarHBondContact O-N 2.86Å; L127-L144 HydrophobicContact CD1-CD1 3.35Å; L127-L144 HydrophobicContact CD1-CG 3.99Å; L127-L144 HydrophobicContact CG-CD1 3.88Å; L127-L144 HydrophobicContact CG-CG 4.14Å; I142-L144 HydrophobicContact CG2-CD2 3.97Å; L144-V146 HydrophobicContact CB-CG2 4.27Å
145	N	95.3	Very high	94.9	Very high	61 Å²	61	63.3 Å²	63.3	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	99.8	169.2	-173.6	-21.7	0	0	0	108.4	T33 L34 F35 A36	T33-N145 HydrophobicContact CG2-CB 4.21Å; L34-N145 PolarHBondContact O-N 3.43Å; F35-N145 WeakPolarHBondContact CA-O 3.46Å; F35-N145 HydrophobicContact CD1-CB 3.75Å; F35-N145 HydrophobicContact CE1-CB 4Å; A36-N145 PolarHBondContact N-O 2.78Å; A36-N145 VanDerWaalsContact N-O 3.07Å
146	V	96.4	Very high	95.4	Very high	9 Å²	9	63.4 Å²	63.4	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.9	179.7	-165.1	0	0	0	0	109.7	A36 I119 R120 S124 L144	A36-V146 VanDerWaalsContact O-CA 3.28Å; A36-V146 WeakPolarHBondContact O-CA 3.34Å; I119-V146 HydrophobicContact CD1-CG2 3.54Å; I119-V146 HydrophobicContact CG1-CG1 4.13Å; I119-V146 HydrophobicContact CG1-CG2 3.88Å; I119-V146 HydrophobicContact CG2-CG1 4.3Å; R120-V146 WeakPolarHBondContact O-CG1 3.25Å; S124-V146 PolarHBondContact OG-N 2.84Å; S124-V146 VanDerWaalsContact OG-N 3.11Å; L144-V146 HydrophobicContact CB-CG2 4.27Å
147	S	96.9	Very high	95.7	Very high	25 Å²	25	64.1 Å²	64.1	18%	0.175	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	158.2	177.6	54.8	0	0	0	0	111.8	A36 W37 E38 K149 F151	A36-S147 PolarHBondContact O-N 3.43Å; A36-S147 VanDerWaalsContact O-N 3.07Å; A36-S147 PolarHBondContact O-OG 2.89Å; W37-S147 CarbonylContact C-O 3.59Å; W37-S147 WeakPolarHBondContact CA-O 3.25Å; E38-S147 PolarHBondContact N-O 3.34Å; S147-K149 PolarHBondContact O-N 2.61Å; S147-K149 PolarHBondContact OG-O 2.01Å; S147-F151 VanDerWaalsContact CB-CE1 3.46Å; S147-F151 WeakPolarHBondContact OG-CE1 3.47Å; S147-F151 WeakPolarHBondContact OG-CZ 3.4Å
148	E	96.6	Very high	95.9	Very high	150 Å²	150	58.7 Å²	58.7	70%	0.701	29%	0.285	S	S	*	.	S	Bend	trans	-69.3	-23.9	172.8	-64.3	-179.1	178.7	0	0	112.5	A121	A121-E148 HydrophobicContact CB-CG 3.94Å
149	K	95.8	Very high	96	Very high	160 Å²	160	61.7 Å²	61.7	70%	0.696	32%	0.318	S	S	*	.	S	Bend	trans	-131	147.1	-174.6	-63.9	-177.9	-176.3	176.5	0	111.3	S147 F151	S147-K149 PolarHBondContact O-N 2.61Å; S147-K149 PolarHBondContact OG-O 2.01Å; K149-F151 PolarHBondContact O-N 3.36Å
150	P	96.1	Very high	96.1	Very high	37 Å²	37	64.7 Å²	64.7	24%	0.24	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-54.2	135.5	177.3	-22	30.3	0	0	0	113	W37 L244	W37-P150 HydrophobicContact CD2-CB 3.9Å; W37-P150 HydrophobicContact CD2-CG 4.24Å; W37-P150 HydrophobicContact CE3-CB 4.38Å; W37-P150 HydrophobicContact CG-CB 4.08Å; W37-P150 HydrophobicContact CG-CG 4Å; W37-P150 HydrophobicContact CZ2-CB 4.43Å; P150-L244 HydrophobicContact CB-CB 3.82Å; P150-L244 HydrophobicContact CG-CB 3.85Å; P150-L244 HydrophobicContact CG-CD2 4.27Å; P150-L244 HydrophobicContact CG-CG 4.46Å
151	F	94.8	Very high	96.2	Very high	51 Å²	51	63.5 Å²	63.5	22%	0.224	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-68.8	149.9	178.6	-50	-76.8	0	0	0	111.5	F35 A36 W37 S147 K149 L173 S245	F35-F151 HydrophobicContact CB-CD2 4.36Å; F35-F151 HydrophobicContact CB-CE2 3.71Å; F35-F151 HydrophobicContact CB-CZ 4.16Å; F35-F151 HydrophobicContact CD1-CZ 4.4Å; A36-F151 WeakPolarHBondContact O-CE2 3.32Å; A36-F151 WeakPolarHBondContact O-CZ 2.79Å; W37-F151 AromaticContact CE3-CD2 3.81Å; W37-F151 HydrophobicContact CE3-CD2 3.81Å; W37-F151 HydrophobicContact CE3-CE2 4.09Å; W37-F151 HydrophobicContact CZ3-CD2 4.2Å; S147-F151 VanDerWaalsContact CB-CE1 3.46Å; S147-F151 WeakPolarHBondContact OG-CE1 3.47Å; S147-F151 WeakPolarHBondContact OG-CZ 3.4Å; K149-F151 PolarHBondContact O-N 3.36Å; F151-L173 HydrophobicContact CB-CD1 4.18Å; F151-S245 VanDerWaalsContact O-CB 3.23Å; F151-S245 WeakPolarHBondContact O-CB 3.33Å; F151-S245 PolarHBondContact O-OG 2.8Å
152	Q	96.9	Very high	96.3	Very high	124 Å²	124	65.2 Å²	65.2	58%	0.579	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-70.8	141.4	169.7	-67	179.1	23.8	0	0	110.4
153	P	98	Very high	96.5	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.026	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-70.2	160.4	171.4	31.6	-33.7	0	0	0	110.7	G172 L173 V237 R247	P153-G172 CarbonylContact C-O 3.57Å; P153-G172 WeakPolarHBondContact CA-O 3.19Å; P153-G172 WeakPolarHBondContact CB-O 3.39Å; P153-L173 HydrophobicContact CB-CD1 4.31Å; P153-V237 HydrophobicContact CB-CG2 3.97Å; P153-V237 HydrophobicContact CG-CG2 3.71Å; P153-R247 HydrophobicContact CG-CB 3.84Å; P153-R247 VanDerWaalsContact O-CB 3.25Å; P153-R247 WeakPolarHBondContact O-CB 3.33Å; P153-R247 WeakPolarHBondContact O-CG 3.03Å
154	Y	98	Very high	96.5	Very high	77 Å²	77	67.7 Å²	67.7	30%	0.302	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	148.5	167.6	61.7	-98.9	0	0	0	110.2	Q156 C171 G172	Y154-Q156 HydrophobicContact CD2-CG 3.94Å; Y154-Q156 HydrophobicContact CE2-CG 4.15Å; Y154-C171 CarbonylContact O-C 3.57Å; Y154-C171 VanDerWaalsContact O-CA 3.29Å; Y154-C171 WeakPolarHBondContact O-CA 3.42Å; Y154-G172 WeakPolarHBondContact CD1-O 3.44Å; Y154-G172 WeakPolarHBondContact CE1-O 3.44Å; Y154-G172 VanDerWaalsContact CZ-CA 3.46Å; Y154-G172 PolarHBondContact N-O 2.85Å; Y154-G172 PolarHBondContact O-N 3.22Å
155	I	98.4	Very high	96.5	Very high	24 Å²	24	72.5 Å²	72.5	12%	0.123	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.4	171.1	-60.6	174.6	0	0	0	107.9	M157 T170 W186 C235 R247 V249	I155-M157 HydrophobicContact CG2-CG 4.13Å; I155-T170 CarbonylContact C-O 3.55Å; I155-T170 WeakPolarHBondContact CA-O 2.98Å; I155-W186 HydrophobicContact CD1-CZ3 4.3Å; I155-W186 HydrophobicContact CG1-CZ3 4.47Å; I155-W186 HydrophobicContact CG2-CH2 4.12Å; I155-W186 HydrophobicContact CG2-CZ3 4.19Å; I155-C235 HydrophobicContact CD1-CB 3.74Å; I155-C235 HydrophobicContact CG1-CB 3.94Å; I155-R247 HydrophobicContact CD1-CB 4.12Å; I155-R247 HydrophobicContact CD1-CG 4.05Å; I155-R247 WeakPolarHBondContact CD1-O 3.12Å; I155-R247 HydrophobicContact CG1-CB 4.3Å; I155-R247 HydrophobicContact CG1-CG 4.12Å; I155-V249 HydrophobicContact CB-CG1 4.07Å; I155-V249 HydrophobicContact CB-CG2 4.32Å; I155-V249 HydrophobicContact CD1-CG1 4.25Å; I155-V249 HydrophobicContact CD1-CG2 4Å; I155-V249 HydrophobicContact CG2-CG1 4.38Å; I155-V249 HydrophobicContact CG2-CG2 3.82Å
156	Q	98.3	Very high	96.6	Very high	110 Å²	110	72.4 Å²	72.4	51%	0.514	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.5	172.5	-70.7	170.3	-22.4	0	0	109	Y154 T170	Y154-Q156 HydrophobicContact CD2-CG 3.94Å; Y154-Q156 HydrophobicContact CE2-CG 4.15Å; Q156-T170 PolarHBondContact N-O 2.86Å; Q156-T170 PolarHBondContact O-N 2.82Å
157	M	97.1	Very high	96.6	Very high	79 Å²	79	72.4 Å²	72.4	39%	0.389	37%	0.373	S	S	.	.			trans	-118.5	152.2	177.1	-54.5	-169.9	-74.8	0	0	109.3	I155 L169 V249	I155-M157 HydrophobicContact CG2-CG 4.13Å; M157-L169 HydrophobicContact CB-CD2 4.15Å; M157-L169 HydrophobicContact CG-CD2 4Å; M157-V249 HydrophobicContact CE-CB 4.05Å; M157-V249 HydrophobicContact CE-CG1 4.47Å; M157-V249 HydrophobicContact CE-CG2 4.24Å; M157-V249 HydrophobicContact SD-CB 4.13Å; M157-V249 HydrophobicContact SD-CG2 3.64Å
158	P	97.1	Very high	96.6	Very high	51 Å²	51	73.8 Å²	73.8	33%	0.331	38%	0.38	S	S	.	.			trans	-56.9	155.1	167.2	-22.1	33.5	0	0	0	111.4	E160 I161 V167	P158-E160 PolarHBondContact O-N 2.87Å; P158-I161 HydrophobicContact CB-CG1 4.48Å; P158-I161 HydrophobicContact CG-CG1 4.49Å; P158-V167 HydrophobicContact CG-CB 4.27Å
159	S	95.8	Very high	96.7	Very high	139 Å²	139	66.7 Å²	66.7	97%	0.972	35%	0.347	S	S	*	.	S	Bend	trans	-62.6	-29	177.9	54.7	0	0	0	0	113.1
160	E	96.1	Very high	96.8	Very high	85 Å²	85	59.9 Å²	59.9	40%	0.397	32%	0.319	S	S	.	.			trans	-141.7	136.3	176.5	-171.1	174.9	88.9	0	0	109.6	P158 R162 K254	P158-E160 PolarHBondContact O-N 2.87Å; E160-R162 HydrophobicContact CG-CG 4.39Å; E160-R162 IonicContact OE1-CZ 2.7Å; E160-R162 IonicContact OE1-NE 3.35Å; E160-R162 PolarHBondContact OE1-NE 2.84Å; E160-R162 IonicContact OE1-NH2 3.6Å; E160-R162 PolarHBondContact OE1-NH2 2.95Å; E160-K254 HydrophobicContact CG-CG 4Å
161	I	97.6	Very high	96.9	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.7	177.4	-61.8	176.2	0	0	0	107	P158 V167 L169 P224 L251 V253 K254	P158-I161 HydrophobicContact CB-CG1 4.48Å; P158-I161 HydrophobicContact CG-CG1 4.49Å; I161-V167 HydrophobicContact CG2-CG1 4.26Å; I161-V167 HydrophobicContact CG2-CG2 4.12Å; I161-L169 HydrophobicContact CD1-CD2 4.27Å; I161-P224 HydrophobicContact CG2-CB 4.27Å; I161-P224 HydrophobicContact CG2-CG 3.61Å; I161-L251 HydrophobicContact CD1-CD2 4.19Å; I161-V253 HydrophobicContact CG2-CG1 4.43Å; I161-V253 HydrophobicContact CG2-CG2 4.15Å; I161-V253 CarbonylContact O-C 3.59Å; I161-V253 WeakPolarHBondContact O-CA 3.29Å; I161-K254 WeakPolarHBondContact O-CB 3.25Å; I161-K254 PolarHBondContact O-N 3.38Å
162	R	96.8	Very high	97	Very high	100 Å²	100	55.7 Å²	55.7	38%	0.377	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.6	178.4	-61.1	-175	179	-156.1	-4.2	111.1	E160 Q165 P224 K254	E160-R162 HydrophobicContact CG-CG 4.39Å; E160-R162 IonicContact OE1-CZ 2.7Å; E160-R162 IonicContact OE1-NE 3.35Å; E160-R162 PolarHBondContact OE1-NE 2.84Å; E160-R162 IonicContact OE1-NH2 3.6Å; E160-R162 PolarHBondContact OE1-NH2 2.95Å; R162-Q165 HydrophobicContact CB-CB 4.14Å; R162-Q165 PolarHBondContact O-N 3.07Å; R162-P224 VanDerWaalsContact O-CG 3.26Å; R162-P224 WeakPolarHBondContact O-CG 3.5Å; R162-K254 CarbonylContact C-O 3.53Å; R162-K254 WeakPolarHBondContact CA-O 3.29Å; R162-K254 HydrophobicContact CG-CB 4.34Å
163	E	96.5	Very high	97.1	Very high	42 Å²	42	50 Å²	50	20%	0.196	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	145	174.1	71.7	177.4	150.5	0	0	111.5	Q165 P224 V253 K254 Y255 T256 K258	E163-Q165 PolarHBondContact O-N 2.96Å; E163-P224 CarbonylContact C-O 3.49Å; E163-P224 WeakPolarHBondContact CA-O 3.35Å; E163-V253 HydrophobicContact CB-CG1 4.29Å; E163-K254 PolarHBondContact N-O 3.27Å; E163-Y255 VanDerWaalsContact OE1-CB 3.25Å; E163-Y255 WeakPolarHBondContact OE1-CB 3.18Å; E163-T256 PolarHBondContact OE1-N 2.84Å; E163-K258 IonicContact OE1-NZ 3.87Å; E163-K258 PolarHBondContact OE1-NZ 2.64Å; E163-K258 WeakPolarHBondContact OE2-CE 3.36Å; E163-K258 IonicContact OE2-NZ 3.1Å; E163-K258 PolarHBondContact OE2-NZ 3.04Å
164	S	93.7	Very high	96.9	Very high	88 Å²	88	53.6 Å²	53.6	62%	0.615	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	-3.3	179	-52.7	0	0	0	0	115.6	P224	S164-P224 PolarHBondContact N-O 3.04Å
165	Q	94.9	Very high	96.8	Very high	100 Å²	100	50 Å²	50	47%	0.467	28%	0.275	S	S	.	.	S	Bend	trans	-87.5	127.5	174.1	-174.1	179.8	-10.8	0	0	109.8	R162 E163 V167 P224	R162-Q165 HydrophobicContact CB-CB 4.14Å; R162-Q165 PolarHBondContact O-N 3.07Å; E163-Q165 PolarHBondContact O-N 2.96Å; Q165-V167 PolarHBondContact O-N 3.26Å; Q165-P224 WeakPolarHBondContact O-CD 3.35Å
166	S	95.7	Very high	96.6	Very high	59 Å²	59	49.3 Å²	49.3	41%	0.413	27%	0.273	S	S	.	.			trans	-63.3	124	174.7	-169.7	0	0	0	0	110.6	T221	S166-T221 WeakPolarHBondContact OG-CG2 3.19Å
167	V	96.8	Very high	96.2	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	153.2	178.6	-65.4	0	0	0	0	110.8	P158 I161 Q165 T221 F222 P224	P158-V167 HydrophobicContact CG-CB 4.27Å; I161-V167 HydrophobicContact CG2-CG1 4.26Å; I161-V167 HydrophobicContact CG2-CG2 4.12Å; Q165-V167 PolarHBondContact O-N 3.26Å; V167-T221 CarbonylContact O-C 3.58Å; V167-T221 VanDerWaalsContact O-CA 3.26Å; V167-T221 WeakPolarHBondContact O-CA 3.23Å; V167-F222 HydrophobicContact CG2-CD1 4.21Å; V167-F222 HydrophobicContact CG2-CE1 3.92Å; V167-F222 HydrophobicContact CG2-CZ 4.37Å; V167-F222 PolarHBondContact N-O 2.01Å; V167-F222 PolarHBondContact O-N 2.86Å; V167-P224 HydrophobicContact CG2-CG 4.29Å
168	T	97.8	Very high	95.7	Very high	55 Å²	55	45.8 Å²	45.8	34%	0.337	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.7	177.9	-57.2	0	0	0	0	110.9	K219 L220 T221	T168-K219 HydrophobicContact CG2-CB 3.86Å; T168-K219 HydrophobicContact CG2-CD 4.49Å; T168-K219 HydrophobicContact CG2-CG 4.27Å; T168-L220 CarbonylContact C-O 3.48Å; T168-L220 VanDerWaalsContact CA-O 3.28Å; T168-L220 WeakPolarHBondContact CA-O 3.21Å; T168-T221 PolarHBondContact OG1-OG1 3.22Å
169	L	98	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.2	168.6	-48.4	-175	0	0	0	109.1	M157 I161 W186 K219 L220 F222 V233 L251	M157-L169 HydrophobicContact CB-CD2 4.15Å; M157-L169 HydrophobicContact CG-CD2 4Å; I161-L169 HydrophobicContact CD1-CD2 4.27Å; L169-W186 HydrophobicContact CB-CH2 3.63Å; L169-W186 HydrophobicContact CB-CZ2 4.25Å; L169-W186 HydrophobicContact CB-CZ3 4.12Å; L169-W186 HydrophobicContact CD1-CZ3 4.35Å; L169-K219 VanDerWaalsContact O-CA 3.32Å; L169-K219 WeakPolarHBondContact O-CA 3.21Å; L169-L220 PolarHBondContact N-O 3.29Å; L169-L220 PolarHBondContact O-N 3.31Å; L169-F222 HydrophobicContact CD1-CE1 3.85Å; L169-F222 HydrophobicContact CD1-CZ 4.45Å; L169-F222 HydrophobicContact CG-CE1 3.92Å; L169-V233 HydrophobicContact CD1-CB 4.48Å; L169-V233 HydrophobicContact CD1-CG1 3.99Å; L169-V233 HydrophobicContact CD1-CG2 4.36Å; L169-L251 HydrophobicContact CD1-CD2 4.22Å
170	T	98.4	Very high	94.9	Very high	17 Å²	17	40.7 Å²	40.7	10%	0.104	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.1	176.9	-55.9	0	0	0	0	109.6	I155 Q156 E217 K219	I155-T170 CarbonylContact C-O 3.55Å; I155-T170 WeakPolarHBondContact CA-O 2.98Å; Q156-T170 PolarHBondContact N-O 2.86Å; Q156-T170 PolarHBondContact O-N 2.82Å; T170-E217 HydrophobicContact CG2-CB 4.38Å; T170-K219 HydrophobicContact CG2-CG 4.12Å
171	C	98.4	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.3	168.1	177.6	0	0	0	0	108.3	Y154 W186 E217 S218 C235	Y154-C171 CarbonylContact O-C 3.57Å; Y154-C171 VanDerWaalsContact O-CA 3.29Å; Y154-C171 WeakPolarHBondContact O-CA 3.42Å; C171-W186 HydrophobicContact CB-CH2 3.54Å; C171-W186 HydrophobicContact CB-CZ2 3.31Å; C171-W186 HydrophobicContact CB-CZ3 4.3Å; C171-W186 VanDerWaalsContact N-CZ2 3.27Å; C171-E217 CarbonylContact O-C 3.6Å; C171-E217 WeakPolarHBondContact O-CA 3.29Å; C171-S218 PolarHBondContact N-O 3.17Å; C171-S218 PolarHBondContact O-N 2.8Å; C171-C235 HydrophobicContact CB-CB 3.6Å; C171-C235 WeakPolarHBondContact CB-SG 3.33Å; C171-C235 WeakPolarHBondContact SG-CB 2.97Å; C171-C235 CovalentContact SG-SG 2.01Å; C171-C235 PolarHBondContact SG-SG 2.81Å
172	G	97.8	Very high	94.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.7	179.4	0	0	0	0	0	113.4	P153 Y154 T216	P153-G172 CarbonylContact C-O 3.57Å; P153-G172 WeakPolarHBondContact CA-O 3.19Å; P153-G172 WeakPolarHBondContact CB-O 3.39Å; Y154-G172 WeakPolarHBondContact CD1-O 3.44Å; Y154-G172 WeakPolarHBondContact CE1-O 3.44Å; Y154-G172 VanDerWaalsContact CZ-CA 3.46Å; Y154-G172 PolarHBondContact N-O 2.85Å; Y154-G172 PolarHBondContact O-N 3.22Å; G172-T216 WeakPolarHBondContact CA-O 3.26Å
173	L	97.1	Very high	94.5	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.2	174.4	-166.5	72.4	0	0	0	108.2	W37 F151 P153 F175 I182 Y215 T216 V237	W37-L173 HydrophobicContact CH2-CD2 3.98Å; W37-L173 HydrophobicContact CZ3-CD2 4.02Å; F151-L173 HydrophobicContact CB-CD1 4.18Å; P153-L173 HydrophobicContact CB-CD1 4.31Å; L173-F175 HydrophobicContact CD2-CB 4.01Å; L173-F175 HydrophobicContact CG-CB 4.12Å; L173-F175 PolarHBondContact O-N 3.41Å; L173-I182 HydrophobicContact CD2-CD1 3.64Å; L173-Y215 CarbonylContact O-C 3.56Å; L173-Y215 VanDerWaalsContact O-CA 3.26Å; L173-Y215 WeakPolarHBondContact O-CA 3.45Å; L173-Y215 WeakPolarHBondContact O-CB 3.49Å; L173-T216 PolarHBondContact N-O 2.85Å; L173-T216 PolarHBondContact O-N 3.07Å; L173-V237 HydrophobicContact CD2-CG1 4.05Å; L173-V237 HydrophobicContact CD2-CG2 4.28Å
174	N	95.4	Very high	94.5	Very high	79 Å²	79	41.2 Å²	41.2	42%	0.422	24%	0.238	S	C	.	.	S	Bend	trans	-76.7	50.6	179.7	-67.1	-16.9	0	0	0	111.9	F35 V214	F35-N174 WeakPolarHBondContact CB-O 3.45Å; F35-N174 HydrophobicContact CD2-CB 3.8Å; F35-N174 HydrophobicContact CE2-CB 4.25Å; F35-N174 HydrophobicContact CG-CB 4.5Å; N174-V214 CarbonylContact C-O 3.54Å
175	F	95.6	Very high	94.6	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	22%	0.22	C	C	.	.			trans	-144.9	138.3	-176.7	172.7	-90.2	0	0	0	109.3	F35 A36 W37 A40 C41 L173 C177 Y180 I182 T216	F35-F175 WeakPolarHBondContact O-CD2 3.28Å; A36-F175 HydrophobicContact CB-CD2 4.3Å; A36-F175 HydrophobicContact CB-CE2 4.1Å; W37-F175 HydrophobicContact CE3-CD2 4.16Å; W37-F175 HydrophobicContact CE3-CE2 4.42Å; W37-F175 HydrophobicContact CE3-CG 4.49Å; W37-F175 HydrophobicContact CH2-CB 4.27Å; W37-F175 AromaticContact CH2-CD1 3.46Å; W37-F175 HydrophobicContact CH2-CD1 3.46Å; W37-F175 VanDerWaalsContact CH2-CD1 3.46Å; W37-F175 AromaticContact CH2-CD2 3.88Å; W37-F175 HydrophobicContact CH2-CD2 3.88Å; W37-F175 AromaticContact CH2-CE1 3.64Å; W37-F175 HydrophobicContact CH2-CE1 3.64Å; W37-F175 HydrophobicContact CH2-CE2 4.04Å; W37-F175 AromaticContact CH2-CG 3.58Å; W37-F175 HydrophobicContact CH2-CG 3.58Å; W37-F175 AromaticContact CH2-CZ 3.92Å; W37-F175 HydrophobicContact CH2-CZ 3.92Å; W37-F175 HydrophobicContact CZ2-CD1 4.37Å; W37-F175 HydrophobicContact CZ2-CE1 4.12Å; W37-F175 HydrophobicContact CZ2-CE2 4.49Å; W37-F175 HydrophobicContact CZ2-CZ 4.18Å; W37-F175 HydrophobicContact CZ3-CB 3.87Å; W37-F175 AromaticContact CZ3-CD1 3.88Å; W37-F175 HydrophobicContact CZ3-CD1 3.88Å; W37-F175 AromaticContact CZ3-CD2 3.53Å; W37-F175 HydrophobicContact CZ3-CD2 3.53Å; W37-F175 HydrophobicContact CZ3-CE1 4.3Å; W37-F175 AromaticContact CZ3-CE2 3.99Å; W37-F175 HydrophobicContact CZ3-CE2 3.99Å; W37-F175 AromaticContact CZ3-CG 3.46Å; W37-F175 HydrophobicContact CZ3-CG 3.46Å; W37-F175 VanDerWaalsContact CZ3-CG 3.46Å; W37-F175 HydrophobicContact CZ3-CZ 4.35Å; A40-F175 HydrophobicContact CB-CE2 4.14Å; A40-F175 HydrophobicContact CB-CZ 4.09Å; C41-F175 WeakPolarHBondContact O-CE2 3.25Å; L173-F175 HydrophobicContact CD2-CB 4.01Å; L173-F175 HydrophobicContact CG-CB 4.12Å; L173-F175 PolarHBondContact O-N 3.41Å; F175-C177 HydrophobicContact CE1-CB 4.42Å; F175-C177 HydrophobicContact CE2-CB 4.37Å; F175-C177 HydrophobicContact CZ-CB 3.88Å; F175-Y180 AromaticContact CE1-CD1 3.99Å; F175-Y180 HydrophobicContact CE1-CD1 3.99Å; F175-Y180 AromaticContact CZ-CD1 3.84Å; F175-Y180 HydrophobicContact CZ-CD1 3.84Å; F175-Y180 HydrophobicContact CZ-CE1 4.48Å; F175-I182 HydrophobicContact CD1-CD1 3.78Å; F175-I182 HydrophobicContact CD1-CG1 4.21Å; F175-I182 HydrophobicContact CD1-CG2 4.31Å; F175-I182 HydrophobicContact CE1-CD1 4.45Å; F175-I182 HydrophobicContact CE1-CG1 4.45Å; F175-I182 HydrophobicContact CE1-CG2 3.97Å; F175-T216 PolarHBondContact O-N 3.23Å; F175-T216 PolarHBondContact O-OG1 2.87Å; F175-T216 VanDerWaalsContact O-OG1 3.04Å
176	S	93.6	Very high	94.8	Very high	9 Å²	9	35 Å²	35	6%	0.063	20%	0.198	C	C	.	.			trans	-157.9	131.3	166.5	155.8	0	0	0	0	108.3	V207	S176-V207 WeakPolarHBondContact OG-CG1 3.26Å
177	C	90.7	Very high	94.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.027	18%	0.184	C	C	.	.			trans	-149	116.7	173.2	-170.7	0	0	0	0	111.9	C41 F175 G179 Y180	C41-C177 HydrophobicContact CB-CB 4.15Å; C41-C177 WeakPolarHBondContact CB-SG 3.09Å; C41-C177 WeakPolarHBondContact O-CB 3.25Å; C41-C177 WeakPolarHBondContact SG-CB 3.35Å; C41-C177 CovalentContact SG-SG 2.01Å; C41-C177 PolarHBondContact SG-SG 2.88Å; F175-C177 HydrophobicContact CE1-CB 4.42Å; F175-C177 HydrophobicContact CE2-CB 4.37Å; F175-C177 HydrophobicContact CZ-CB 3.88Å; C177-G179 PolarHBondContact O-N 2.74Å; C177-Y180 CarbonylContact O-C 3.55Å; C177-Y180 PolarHBondContact O-N 2.69Å; C177-Y180 VanDerWaalsContact O-O 3.14Å
178	F	85	Confident	94.6	Very high	111 Å²	111	35.2 Å²	35.2	49%	0.487	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	126.3	177.8	-63.8	-68.5	0	0	0	111.6	K115	K115-F178 PolarHBondContact NZ-O 3.29Å
179	G	84.5	Confident	94.4	Very high	56 Å²	56	36.3 Å²	36.3	58%	0.577	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.8	-0.3	-173.4	0	0	0	0	0	114	C177	C177-G179 PolarHBondContact O-N 2.74Å
180	Y	92.2	Very high	94	Very high	27 Å²	27	43 Å²	43	11%	0.106	23%	0.23	C	C	.	.	S	Bend	trans	-131.5	71.3	164.1	-166.2	-80.8	0	0	0	107.2	W37 A40 C41 F175 C177 I182 H239 L244	W37-Y180 HydrophobicContact CZ2-CD1 4.45Å; W37-Y180 AromaticContact CZ2-CE1 3.69Å; W37-Y180 HydrophobicContact CZ2-CE1 3.69Å; W37-Y180 AromaticContact NE1-CZ 3.93Å; W37-Y180 PolarHBondContact NE1-OH 2.89Å; A40-Y180 HydrophobicContact CB-CD1 4.18Å; A40-Y180 HydrophobicContact CB-CD2 4.3Å; A40-Y180 HydrophobicContact CB-CE1 4.07Å; A40-Y180 HydrophobicContact CB-CE2 4.14Å; A40-Y180 HydrophobicContact CB-CG 4.32Å; C41-Y180 VanDerWaalsContact SG-CB 3.5Å; F175-Y180 AromaticContact CE1-CD1 3.99Å; F175-Y180 HydrophobicContact CE1-CD1 3.99Å; F175-Y180 AromaticContact CZ-CD1 3.84Å; F175-Y180 HydrophobicContact CZ-CD1 3.84Å; F175-Y180 HydrophobicContact CZ-CE1 4.48Å; C177-Y180 CarbonylContact O-C 3.55Å; C177-Y180 PolarHBondContact O-N 2.69Å; C177-Y180 VanDerWaalsContact O-O 3.14Å; Y180-I182 HydrophobicContact CD1-CG2 4.14Å; Y180-I182 HydrophobicContact CE1-CG2 4.1Å; Y180-I182 PolarHBondContact O-N 2.9Å; Y180-H239 AromaticContact CD1-CD2 3.53Å; Y180-H239 AromaticContact CD1-NE2 3.83Å; Y180-H239 AromaticContact CD2-CE1 3.71Å; Y180-H239 AromaticContact CD2-NE2 3.46Å; Y180-H239 WeakPolarHBondContact CD2-NE2 3.25Å; Y180-H239 HydrophobicContact CE1-CB 4.05Å; Y180-H239 AromaticContact CE1-CD2 3.51Å; Y180-H239 AromaticContact CE1-CG 3.63Å; Y180-H239 AromaticContact CE1-NE2 3.98Å; Y180-H239 AromaticContact CE2-CE1 3.51Å; Y180-H239 AromaticContact CE2-ND1 3.79Å; Y180-H239 AromaticContact CE2-NE2 3.68Å; Y180-H239 AromaticContact CG-CD2 3.79Å; Y180-H239 AromaticContact CG-NE2 3.55Å; Y180-H239 AromaticContact CZ-CD2 3.81Å; Y180-H239 AromaticContact CZ-CE1 3.83Å; Y180-H239 AromaticContact CZ-CG 3.65Å; Y180-H239 AromaticContact CZ-ND1 3.65Å; Y180-H239 AromaticContact CZ-NE2 3.93Å; Y180-L244 HydrophobicContact CE1-CD1 4.13Å
181	D	91.6	Very high	93.6	Very high	107 Å²	107	46.3 Å²	46.3	57%	0.572	25%	0.254	S	S	*	.			trans	-80.9	118.3	-168.9	-58.7	-41.9	0	0	0	110.6	H239	D181-H239 PolarHBondContact O-CD2 3.3Å; D181-H239 VanDerWaalsContact O-CD2 3.22Å
182	I	95.5	Very high	93.4	Very high	17 Å²	17	49.8 Å²	49.8	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.5	175.8	60.7	161.4	0	0	0	111.1	W37 L173 F175 Y180 T216 V237 Q238 H239 L244	W37-I182 HydrophobicContact CH2-CG2 4.31Å; W37-I182 HydrophobicContact CZ2-CG2 4.28Å; L173-I182 HydrophobicContact CD2-CD1 3.64Å; F175-I182 HydrophobicContact CD1-CD1 3.78Å; F175-I182 HydrophobicContact CD1-CG1 4.21Å; F175-I182 HydrophobicContact CD1-CG2 4.31Å; F175-I182 HydrophobicContact CE1-CD1 4.45Å; F175-I182 HydrophobicContact CE1-CG1 4.45Å; F175-I182 HydrophobicContact CE1-CG2 3.97Å; Y180-I182 HydrophobicContact CD1-CG2 4.14Å; Y180-I182 HydrophobicContact CE1-CG2 4.1Å; Y180-I182 PolarHBondContact O-N 2.9Å; I182-T216 HydrophobicContact CD1-CG2 4.29Å; I182-T216 HydrophobicContact CG1-CG2 4.33Å; I182-V237 HydrophobicContact CB-CG1 4.1Å; I182-V237 HydrophobicContact CD1-CG1 4.08Å; I182-V237 HydrophobicContact CG2-CG1 4.28Å; I182-Q238 CarbonylContact C-O 3.58Å; I182-Q238 VanDerWaalsContact CA-O 3.25Å; I182-Q238 WeakPolarHBondContact CA-O 3.3Å; I182-H239 HydrophobicContact CG2-CB 4.39Å; I182-L244 HydrophobicContact CG2-CD1 4.27Å
183	L	95.4	Very high	93.1	Very high	107 Å²	107	51.2 Å²	51.2	56%	0.56	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.8	173.1	-62.2	176.9	0	0	0	109.5	V237 Q238	L183-V237 WeakPolarHBondContact O-CA 3.4Å; L183-Q238 PolarHBondContact N-O 3.27Å; L183-Q238 PolarHBondContact O-N 3.28Å
184	L	97.2	Very high	92.4	Very high	13 Å²	13	56 Å²	56	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114	171.3	-60	179.4	0	0	0	108.2	T216 Q236 V237	L184-T216 HydrophobicContact CD1-CG2 3.97Å; L184-T216 HydrophobicContact CG-CG2 4.22Å; L184-Q236 WeakPolarHBondContact CA-O 3.26Å; L184-V237 HydrophobicContact CD2-CB 4.3Å; L184-V237 HydrophobicContact CD2-CG1 4.26Å; L184-V237 HydrophobicContact CD2-CG2 3.71Å
185	K	96.1	Very high	91.4	Very high	54 Å²	54	55.4 Å²	55.4	24%	0.235	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.5	-178.2	-72.1	-174.5	167.2	-151.6	0	111.3	F187 E192 C235 Q236 Q238	K185-F187 HydrophobicContact CB-CD2 4.49Å; K185-F187 HydrophobicContact CB-CE2 3.82Å; K185-E192 VanDerWaalsContact CD-OE1 3.25Å; K185-E192 WeakPolarHBondContact CD-OE1 3.28Å; K185-E192 VanDerWaalsContact CE-OE1 3.25Å; K185-E192 WeakPolarHBondContact CE-OE1 3.16Å; K185-E192 IonicContact NZ-OE1 3.62Å; K185-E192 PolarHBondContact NZ-OE1 2.83Å; K185-E192 IonicContact NZ-OE2 3.14Å; K185-E192 PolarHBondContact NZ-OE2 2.78Å; K185-C235 CarbonylContact O-C 3.57Å; K185-C235 WeakPolarHBondContact O-CA 3.39Å; K185-Q236 PolarHBondContact N-O 3.24Å; K185-Q236 PolarHBondContact O-N 2.99Å; K185-Q238 VanDerWaalsContact CE-OE1 3.3Å
186	W	97.6	Very high	90.6	Very high	3 Å²	3	61.2 Å²	61.2	1%	0.011	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.3	178.1	-67.7	97.4	0	0	0	111.3	I155 L169 C171 I193 S218 L220 V233 K234 C235	I155-W186 HydrophobicContact CD1-CZ3 4.3Å; I155-W186 HydrophobicContact CG1-CZ3 4.47Å; I155-W186 HydrophobicContact CG2-CH2 4.12Å; I155-W186 HydrophobicContact CG2-CZ3 4.19Å; L169-W186 HydrophobicContact CB-CH2 3.63Å; L169-W186 HydrophobicContact CB-CZ2 4.25Å; L169-W186 HydrophobicContact CB-CZ3 4.12Å; L169-W186 HydrophobicContact CD1-CZ3 4.35Å; C171-W186 HydrophobicContact CB-CH2 3.54Å; C171-W186 HydrophobicContact CB-CZ2 3.31Å; C171-W186 HydrophobicContact CB-CZ3 4.3Å; C171-W186 VanDerWaalsContact N-CZ2 3.27Å; W186-I193 HydrophobicContact CB-CB 4.33Å; W186-I193 HydrophobicContact CB-CD1 4.1Å; W186-I193 HydrophobicContact CB-CG1 4.42Å; W186-I193 PolarHBondContact O-N 2.9Å; W186-S218 WeakPolarHBondContact CZ2-O 3.38Å; W186-S218 PolarHBondContact NE1-OG 3.04Å; W186-L220 HydrophobicContact CB-CD2 4.17Å; W186-L220 HydrophobicContact CD2-CB 3.85Å; W186-L220 HydrophobicContact CD2-CD2 3.98Å; W186-L220 HydrophobicContact CE3-CB 4.5Å; W186-L220 HydrophobicContact CE3-CD2 4.09Å; W186-L220 HydrophobicContact CG-CB 4Å; W186-L220 HydrophobicContact CG-CD2 4.05Å; W186-L220 HydrophobicContact CZ2-CB 4.02Å; W186-V233 HydrophobicContact CE3-CG1 3.55Å; W186-V233 HydrophobicContact CZ3-CG1 3.61Å; W186-K234 CarbonylContact C-O 3.54Å; W186-K234 WeakPolarHBondContact CA-O 3.49Å; W186-C235 HydrophobicContact CE3-CB 4.22Å; W186-C235 HydrophobicContact CZ3-CB 4.19Å
187	F	95.9	Very high	90	Very high	27 Å²	27	63.9 Å²	63.9	12%	0.118	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.6	174.5	-67.2	-107.1	0	0	0	108.7	K185 S191 E192 V233 K234 Q236	K185-F187 HydrophobicContact CB-CD2 4.49Å; K185-F187 HydrophobicContact CB-CE2 3.82Å; F187-S191 CarbonylContact C-O 3.51Å; F187-S191 VanDerWaalsContact CA-O 3.23Å; F187-S191 WeakPolarHBondContact CA-O 3.4Å; F187-E192 VanDerWaalsContact CD1-CA 3.48Å; F187-E192 HydrophobicContact CD1-CB 3.84Å; F187-E192 HydrophobicContact CD1-CG 4.4Å; F187-E192 HydrophobicContact CE1-CB 3.46Å; F187-E192 VanDerWaalsContact CE1-CB 3.46Å; F187-E192 HydrophobicContact CE1-CG 3.91Å; F187-E192 HydrophobicContact CE2-CG 4.16Å; F187-E192 HydrophobicContact CZ-CB 3.87Å; F187-E192 HydrophobicContact CZ-CG 3.76Å; F187-V233 WeakPolarHBondContact O-CA 3.35Å; F187-K234 HydrophobicContact CB-CB 4.11Å; F187-K234 PolarHBondContact N-O 3.23Å; F187-K234 PolarHBondContact O-N 2.93Å; F187-Q236 HydrophobicContact CD2-CB 4.27Å; F187-Q236 HydrophobicContact CE2-CB 3.93Å
188	L	93.9	Very high	89.1	Confident	45 Å²	45	69.4 Å²	69.4	24%	0.236	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119	167.7	-178.4	66.9	0	0	0	107.3	D190 S191 I193 K231 V233 L251	L188-D190 PolarHBondContact O-N 3.37Å; L188-S191 PolarHBondContact N-O 2.9Å; L188-S191 PolarHBondContact O-N 3.11Å; L188-I193 HydrophobicContact CB-CD1 4.14Å; L188-I193 HydrophobicContact CB-CG1 4.39Å; L188-K231 HydrophobicContact CD1-CB 4.11Å; L188-K231 HydrophobicContact CD1-CD 4.37Å; L188-K231 HydrophobicContact CG-CD 4.48Å; L188-V233 HydrophobicContact CD1-CG2 3.69Å; L188-L251 HydrophobicContact CD1-CD1 4.11Å
189	E	92	Very high	89	Confident	79 Å²	79	65.8 Å²	65.8	37%	0.369	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-118.2	-160.1	-62.1	-64.2	135.5	0	0	109.7	K231 S232	E189-K231 HydrophobicContact CG-CB 4.44Å; E189-K231 HydrophobicContact CG-CD 4.29Å; E189-K231 HydrophobicContact CG-CG 4.38Å; E189-K231 WeakPolarHBondContact OE1-CA 3.15Å; E189-K231 WeakPolarHBondContact OE1-CB 3.19Å; E189-S232 PolarHBondContact N-O 2.82Å; E189-S232 PolarHBondContact OE1-N 2.85Å
190	D	89.7	Confident	89.3	Confident	141 Å²	141	63.5 Å²	63.5	75%	0.754	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	1.8	178.3	-61.3	-49.2	0	0	0	113.2	L188	L188-D190 PolarHBondContact O-N 3.37Å
191	S	91.5	Very high	89.2	Confident	86 Å²	86	65.6 Å²	65.6	60%	0.601	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.6	-179.2	-58.8	0	0	0	0	111.5	F187 L188	F187-S191 CarbonylContact C-O 3.51Å; F187-S191 VanDerWaalsContact CA-O 3.23Å; F187-S191 WeakPolarHBondContact CA-O 3.4Å; L188-S191 PolarHBondContact N-O 2.9Å; L188-S191 PolarHBondContact O-N 3.11Å
192	E	92.9	Very high	89.2	Confident	73 Å²	73	62.3 Å²	62.3	34%	0.341	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	133.2	173.1	-167.7	177.8	157.1	0	0	110.5	K185 F187 T194	K185-E192 VanDerWaalsContact CD-OE1 3.25Å; K185-E192 WeakPolarHBondContact CD-OE1 3.28Å; K185-E192 VanDerWaalsContact CE-OE1 3.25Å; K185-E192 WeakPolarHBondContact CE-OE1 3.16Å; K185-E192 IonicContact NZ-OE1 3.62Å; K185-E192 PolarHBondContact NZ-OE1 2.83Å; K185-E192 IonicContact NZ-OE2 3.14Å; K185-E192 PolarHBondContact NZ-OE2 2.78Å; F187-E192 VanDerWaalsContact CD1-CA 3.48Å; F187-E192 HydrophobicContact CD1-CB 3.84Å; F187-E192 HydrophobicContact CD1-CG 4.4Å; F187-E192 HydrophobicContact CE1-CB 3.46Å; F187-E192 VanDerWaalsContact CE1-CB 3.46Å; F187-E192 HydrophobicContact CE1-CG 3.91Å; F187-E192 HydrophobicContact CE2-CG 4.16Å; F187-E192 HydrophobicContact CZ-CB 3.87Å; F187-E192 HydrophobicContact CZ-CG 3.76Å; E192-T194 HydrophobicContact CB-CG2 3.91Å; E192-T194 HydrophobicContact CG-CG2 3.58Å; E192-T194 PolarHBondContact O-N 2.94Å
193	I	91.8	Very high	89.1	Confident	30 Å²	30	64.3 Å²	64.3	15%	0.154	37%	0.368	C	S	.	.			trans	-88	85.5	173.6	-48.5	179.6	0	0	0	108	W186 L188 V200 I203 L220	W186-I193 HydrophobicContact CB-CB 4.33Å; W186-I193 HydrophobicContact CB-CD1 4.1Å; W186-I193 HydrophobicContact CB-CG1 4.42Å; W186-I193 PolarHBondContact O-N 2.9Å; L188-I193 HydrophobicContact CB-CD1 4.14Å; L188-I193 HydrophobicContact CB-CG1 4.39Å; I193-V200 HydrophobicContact CG2-CG1 4.29Å; I193-V200 HydrophobicContact CG2-CG2 3.84Å; I193-I203 HydrophobicContact CB-CD1 4.44Å; I193-I203 HydrophobicContact CG2-CD1 3.78Å; I193-I203 WeakPolarHBondContact O-CD1 3.08Å; I193-L220 HydrophobicContact CD1-CD1 4.23Å; I193-L220 HydrophobicContact CD1-CD2 3.7Å; I193-L220 HydrophobicContact CG2-CD1 4.36Å
194	T	81.7	Confident	89.1	Confident	105 Å²	105	62.8 Å²	62.8	64%	0.644	36%	0.363	S	S	*	.			trans	-89.8	-20.1	-174.5	53.4	0	0	0	0	114.1	E192	E192-T194 HydrophobicContact CB-CG2 3.91Å; E192-T194 HydrophobicContact CG-CG2 3.58Å; E192-T194 PolarHBondContact O-N 2.94Å
195	S	75.8	Confident	89	Confident	67 Å²	67	66.3 Å²	66.3	47%	0.469	39%	0.389	S	S	.	.	S	Bend	trans	-144.4	163.3	-174.1	66.6	0	0	0	0	113.1	T197	S195-T197 PolarHBondContact O-N 2.97Å
196	I	78.5	Confident	88.9	Confident	124 Å²	124	65.8 Å²	65.8	64%	0.636	39%	0.393	S	S	*	.			trans	-67.5	117.1	169.9	-59.7	175.1	0	0	0	107	V200	I196-V200 WeakPolarHBondContact CG2-O 3.12Å
197	T	80.9	Confident	88.8	Confident	66 Å²	66	69.6 Å²	69.6	41%	0.405	42%	0.416	S	S	.	.			trans	-111.4	177.5	175.4	57.1	0	0	0	0	109.2	S195 S199 V200	S195-T197 PolarHBondContact O-N 2.97Å; T197-S199 PolarHBondContact O-N 3.19Å; T197-S199 VanDerWaalsContact O-N 3.13Å; T197-S199 PolarHBondContact OG1-OG 2.81Å; T197-V200 PolarHBondContact O-N 2.92Å; T197-V200 VanDerWaalsContact O-N 3.11Å; T197-V200 WeakPolarHBondContact OG1-CG2 3.13Å; T197-V200 PolarHBondContact OG1-N 2.84Å
198	S	72.3	Confident	88.7	Confident	120 Å²	120	69.9 Å²	69.9	84%	0.839	42%	0.42	S	S	*	.	S	Bend	trans	-58.1	-28.6	178.2	53.8	0	0	0	0	113.8
199	S	82.7	Confident	88.7	Confident	34 Å²	34	69.4 Å²	69.4	24%	0.238	42%	0.42	C	S	.	.	S	Bend	trans	-90.7	-26.6	175.1	46.8	0	0	0	0	113.7	T197 F222 Q223	T197-S199 PolarHBondContact O-N 3.19Å; T197-S199 VanDerWaalsContact O-N 3.13Å; T197-S199 PolarHBondContact OG1-OG 2.81Å; S199-F222 CarbonylContact O-C 3.51Å; S199-F222 WeakPolarHBondContact O-CA 3.06Å; S199-F222 VanDerWaalsContact O-CB 3.25Å; S199-F222 WeakPolarHBondContact O-CB 3.32Å; S199-Q223 PolarHBondContact O-N 2.84Å
200	V	90.1	Very high	88.7	Confident	9 Å²	9	67.5 Å²	67.5	6%	0.055	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.1	-175.7	176.4	0	0	0	0	109.7	I193 I196 T197 I203 L220 F222	I193-V200 HydrophobicContact CG2-CG1 4.29Å; I193-V200 HydrophobicContact CG2-CG2 3.84Å; I196-V200 WeakPolarHBondContact CG2-O 3.12Å; T197-V200 PolarHBondContact O-N 2.92Å; T197-V200 VanDerWaalsContact O-N 3.11Å; T197-V200 WeakPolarHBondContact OG1-CG2 3.13Å; T197-V200 PolarHBondContact OG1-N 2.84Å; V200-I203 HydrophobicContact CG1-CD1 4.24Å; V200-I203 HydrophobicContact CG1-CG1 4.02Å; V200-L220 HydrophobicContact CG1-CD1 3.9Å; V200-L220 HydrophobicContact CG2-CD1 4.5Å; V200-F222 HydrophobicContact CG2-CB 4.21Å
201	T	89.6	Confident	88.8	Confident	71 Å²	71	63.4 Å²	63.4	44%	0.436	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-45.5	-177.8	-50.6	0	0	0	0	112.2	T221	T201-T221 PolarHBondContact N-O 2.8Å
202	S	92.3	Very high	88.9	Confident	38 Å²	38	67.8 Å²	67.8	27%	0.266	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	150.2	-178.6	67.1	0	0	0	0	112.4	T221	S202-T221 PolarHBondContact N-O 2.98Å; S202-T221 PolarHBondContact O-N 2.76Å; S202-T221 WeakPolarHBondContact OG-CB 3.32Å; S202-T221 PolarHBondContact OG-OG1 2.93Å
203	I	93.8	Very high	88.8	Confident	59 Å²	59	67.7 Å²	67.7	30%	0.303	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.4	168.9	-54.1	173.6	0	0	0	106.2	I193 V200 K219 L220	I193-I203 HydrophobicContact CB-CD1 4.44Å; I193-I203 HydrophobicContact CG2-CD1 3.78Å; I193-I203 WeakPolarHBondContact O-CD1 3.08Å; V200-I203 HydrophobicContact CG1-CD1 4.24Å; V200-I203 HydrophobicContact CG1-CG1 4.02Å; I203-K219 WeakPolarHBondContact CA-O 3.29Å; I203-L220 HydrophobicContact CD1-CD1 4.28Å; I203-L220 HydrophobicContact CG1-CD1 3.87Å
204	T	94.9	Very high	89	Confident	74 Å²	74	67 Å²	67	45%	0.454	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.7	-179.8	56.3	0	0	0	0	109.6	S218 K219	T204-S218 CarbonylContact O-C 3.54Å; T204-S218 WeakPolarHBondContact O-CA 3.46Å; T204-S218 PolarHBondContact O-OG 2.89Å; T204-K219 PolarHBondContact N-O 3.39Å; T204-K219 PolarHBondContact O-N 2.94Å
205	S	94.8	Very high	89.6	Confident	87 Å²	87	64.6 Å²	64.6	61%	0.608	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.3	177	-61.7	0	0	0	0	108.8	E217	S205-E217 CarbonylContact C-O 3.54Å; S205-E217 WeakPolarHBondContact CA-O 3.37Å
206	S	95.3	Very high	90.6	Very high	44 Å²	44	61.8 Å²	61.8	31%	0.308	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.8	177.5	85.7	0	0	0	0	110.4	E217	S206-E217 PolarHBondContact N-O 3.07Å; S206-E217 PolarHBondContact O-N 2.86Å; S206-E217 WeakPolarHBondContact OG-CG 3.27Å; S206-E217 PolarHBondContact OG-OE1 2.87Å; S206-E217 VanDerWaalsContact OG-OE1 3.06Å
207	V	95.3	Very high	91.5	Very high	82 Å²	82	57.2 Å²	57.2	50%	0.497	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.6	178.7	-179.3	0	0	0	0	107.4	S176 T216	S176-V207 WeakPolarHBondContact OG-CG1 3.26Å; V207-T216 HydrophobicContact CG2-CG2 4.07Å
208	T	93.9	Very high	92.3	Very high	34 Å²	34	54.1 Å²	54.1	21%	0.209	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.6	174.1	-60.3	0	0	0	0	108.9	N213 V214 Y215	T208-N213 WeakPolarHBondContact CG2-OD1 3.39Å; T208-V214 CarbonylContact O-C 3.59Å; T208-V214 VanDerWaalsContact O-CA 3.26Å; T208-V214 WeakPolarHBondContact O-CA 3.38Å; T208-Y215 VanDerWaalsContact CB-CE1 3.41Å; T208-Y215 HydrophobicContact CG2-CD1 4.33Å; T208-Y215 HydrophobicContact CG2-CE1 3.75Å; T208-Y215 PolarHBondContact N-O 3.43Å; T208-Y215 PolarHBondContact O-N 2.78Å; T208-Y215 VanDerWaalsContact OG1-CZ 3.3Å; T208-Y215 PolarHBondContact OG1-OH 3.06Å
209	S	92	Very high	93.6	Very high	34 Å²	34	51.7 Å²	51.7	24%	0.238	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	71	175.7	172.3	0	0	0	0	109.3
210	S	92.3	Very high	94.2	Very high	40 Å²	40	50.1 Å²	50.1	28%	0.28	28%	0.281	S	S	.	.	S	Bend	trans	-113.1	171.3	-175.5	80.5	0	0	0	0	112.1	P31 K212 N213	P31-S210 WeakPolarHBondContact CG-O 3.39Å; S210-K212 PolarHBondContact O-N 3.16Å; S210-K212 PolarHBondContact OG-N 3.02Å; S210-N213 PolarHBondContact N-O 3.31Å; S210-N213 PolarHBondContact OG-N 3.41Å; S210-N213 PolarHBondContact OG-O 3.11Å; S210-N213 PolarHBondContact OG-OD1 2.89Å; S210-N213 VanDerWaalsContact OG-OD1 3.12Å
211	I	93.2	Very high	94.6	Very high	54 Å²	54	50.6 Å²	50.6	28%	0.277	28%	0.284	S	S	.	.	S	Bend	trans	-65.3	-16.2	173.1	60.5	176.5	0	0	0	113.3	D29 H30 P31 P45 K47	D29-I211 HydrophobicContact CB-CB 4.47Å; D29-I211 HydrophobicContact CB-CD1 3.98Å; H30-I211 CarbonylContact C-O 3.53Å; P31-I211 WeakPolarHBondContact CD-O 3.32Å; P31-I211 VanDerWaalsContact N-O 3.1Å; P45-I211 HydrophobicContact CB-CG2 4.3Å; K47-I211 HydrophobicContact CB-CG2 4.43Å; K47-I211 HydrophobicContact CD-CD1 4.46Å; K47-I211 HydrophobicContact CG-CG2 4.09Å
212	K	92.1	Very high	94.8	Very high	178 Å²	178	47.7 Å²	47.7	77%	0.774	27%	0.265	S	S	*	.	S	Bend	trans	-90.4	-43.4	-179.7	-64.7	-174.7	178.5	-177.4	0	111.9	S210	S210-K212 PolarHBondContact O-N 3.16Å; S210-K212 PolarHBondContact OG-N 3.02Å
213	N	91.9	Very high	95	Very high	71 Å²	71	50.1 Å²	50.1	38%	0.38	27%	0.272	S	S	.	.			trans	-157.6	152.7	-173.6	52.5	18.5	0	0	0	111.5	T208 S210 Y215	T208-N213 WeakPolarHBondContact CG2-OD1 3.39Å; S210-N213 PolarHBondContact N-O 3.31Å; S210-N213 PolarHBondContact OG-N 3.41Å; S210-N213 PolarHBondContact OG-O 3.11Å; S210-N213 PolarHBondContact OG-OD1 2.89Å; S210-N213 VanDerWaalsContact OG-OD1 3.12Å; N213-Y215 HydrophobicContact CB-CD1 4.17Å; N213-Y215 HydrophobicContact CB-CE1 4.3Å
214	V	94.8	Very high	95.1	Very high	17 Å²	17	47.4 Å²	47.4	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	115.2	178	-179.5	0	0	0	0	108.2	P31 L34 P45 N174 T208	P31-V214 HydrophobicContact CG-CG2 3.86Å; L34-V214 HydrophobicContact CD2-CB 3.95Å; L34-V214 HydrophobicContact CD2-CG2 3.64Å; P45-V214 HydrophobicContact CG-CG2 3.94Å; N174-V214 CarbonylContact C-O 3.54Å; T208-V214 CarbonylContact O-C 3.59Å; T208-V214 VanDerWaalsContact O-CA 3.26Å; T208-V214 WeakPolarHBondContact O-CA 3.38Å
215	Y	95.6	Very high	95.1	Very high	53 Å²	53	49.1 Å²	49.1	21%	0.208	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	157.2	179.2	64.9	-84.3	0	0	0	111.1	L173 T208 N213 E217	L173-Y215 CarbonylContact O-C 3.56Å; L173-Y215 VanDerWaalsContact O-CA 3.26Å; L173-Y215 WeakPolarHBondContact O-CA 3.45Å; L173-Y215 WeakPolarHBondContact O-CB 3.49Å; T208-Y215 VanDerWaalsContact CB-CE1 3.41Å; T208-Y215 HydrophobicContact CG2-CD1 4.33Å; T208-Y215 HydrophobicContact CG2-CE1 3.75Å; T208-Y215 PolarHBondContact N-O 3.43Å; T208-Y215 PolarHBondContact O-N 2.78Å; T208-Y215 VanDerWaalsContact OG1-CZ 3.3Å; T208-Y215 PolarHBondContact OG1-OH 3.06Å; N213-Y215 HydrophobicContact CB-CD1 4.17Å; N213-Y215 HydrophobicContact CB-CE1 4.3Å; Y215-E217 HydrophobicContact CD2-CB 4.21Å; Y215-E217 HydrophobicContact CD2-CG 4.19Å; Y215-E217 HydrophobicContact CE2-CB 4.31Å; Y215-E217 HydrophobicContact CE2-CG 3.84Å
216	T	96.9	Very high	95.2	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.055	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.6	167	-65.6	0	0	0	0	107.6	G172 L173 F175 I182 L184 V207	G172-T216 WeakPolarHBondContact CA-O 3.26Å; L173-T216 PolarHBondContact N-O 2.85Å; L173-T216 PolarHBondContact O-N 3.07Å; F175-T216 PolarHBondContact O-N 3.23Å; F175-T216 PolarHBondContact O-OG1 2.87Å; F175-T216 VanDerWaalsContact O-OG1 3.04Å; I182-T216 HydrophobicContact CD1-CG2 4.29Å; I182-T216 HydrophobicContact CG1-CG2 4.33Å; L184-T216 HydrophobicContact CD1-CG2 3.97Å; L184-T216 HydrophobicContact CG-CG2 4.22Å; V207-T216 HydrophobicContact CG2-CG2 4.07Å
217	E	97.5	Very high	95.2	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.126	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	154	176.8	63	168.7	-149.9	0	0	111.9	T170 C171 S205 S206 Y215 K219	T170-E217 HydrophobicContact CG2-CB 4.38Å; C171-E217 CarbonylContact O-C 3.6Å; C171-E217 WeakPolarHBondContact O-CA 3.29Å; S205-E217 CarbonylContact C-O 3.54Å; S205-E217 WeakPolarHBondContact CA-O 3.37Å; S206-E217 PolarHBondContact N-O 3.07Å; S206-E217 PolarHBondContact O-N 2.86Å; S206-E217 WeakPolarHBondContact OG-CG 3.27Å; S206-E217 PolarHBondContact OG-OE1 2.87Å; S206-E217 VanDerWaalsContact OG-OE1 3.06Å; Y215-E217 HydrophobicContact CD2-CB 4.21Å; Y215-E217 HydrophobicContact CD2-CG 4.19Å; Y215-E217 HydrophobicContact CE2-CB 4.31Å; Y215-E217 HydrophobicContact CE2-CG 3.84Å; E217-K219 WeakPolarHBondContact OE1-CE 3.46Å; E217-K219 IonicContact OE1-NZ 3.49Å; E217-K219 PolarHBondContact OE1-NZ 2.89Å; E217-K219 IonicContact OE2-NZ 2.78Å
218	S	98	Very high	95.2	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.8	167.4	178.2	0	0	0	0	109.6	C171 W186 T204	C171-S218 PolarHBondContact N-O 3.17Å; C171-S218 PolarHBondContact O-N 2.8Å; W186-S218 WeakPolarHBondContact CZ2-O 3.38Å; W186-S218 PolarHBondContact NE1-OG 3.04Å; T204-S218 CarbonylContact O-C 3.54Å; T204-S218 WeakPolarHBondContact O-CA 3.46Å; T204-S218 PolarHBondContact O-OG 2.89Å
219	K	97.7	Very high	95.4	Very high	69 Å²	69	48.9 Å²	48.9	30%	0.3	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.8	179.6	-69.3	176.9	179.2	151.8	0	109.8	T168 L169 T170 I203 T204 E217	T168-K219 HydrophobicContact CG2-CB 3.86Å; T168-K219 HydrophobicContact CG2-CD 4.49Å; T168-K219 HydrophobicContact CG2-CG 4.27Å; L169-K219 VanDerWaalsContact O-CA 3.32Å; L169-K219 WeakPolarHBondContact O-CA 3.21Å; T170-K219 HydrophobicContact CG2-CG 4.12Å; I203-K219 WeakPolarHBondContact CA-O 3.29Å; T204-K219 PolarHBondContact N-O 3.39Å; T204-K219 PolarHBondContact O-N 2.94Å; E217-K219 WeakPolarHBondContact OE1-CE 3.46Å; E217-K219 IonicContact OE1-NZ 3.49Å; E217-K219 PolarHBondContact OE1-NZ 2.89Å; E217-K219 IonicContact OE2-NZ 2.78Å
220	L	97.2	Very high	95.6	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.6	174.5	171.2	65.3	0	0	0	108.8	T168 L169 W186 I193 V200 I203 F222	T168-L220 CarbonylContact C-O 3.48Å; T168-L220 VanDerWaalsContact CA-O 3.28Å; T168-L220 WeakPolarHBondContact CA-O 3.21Å; L169-L220 PolarHBondContact N-O 3.29Å; L169-L220 PolarHBondContact O-N 3.31Å; W186-L220 HydrophobicContact CB-CD2 4.17Å; W186-L220 HydrophobicContact CD2-CB 3.85Å; W186-L220 HydrophobicContact CD2-CD2 3.98Å; W186-L220 HydrophobicContact CE3-CB 4.5Å; W186-L220 HydrophobicContact CE3-CD2 4.09Å; W186-L220 HydrophobicContact CG-CB 4Å; W186-L220 HydrophobicContact CG-CD2 4.05Å; W186-L220 HydrophobicContact CZ2-CB 4.02Å; I193-L220 HydrophobicContact CD1-CD1 4.23Å; I193-L220 HydrophobicContact CD1-CD2 3.7Å; I193-L220 HydrophobicContact CG2-CD1 4.36Å; V200-L220 HydrophobicContact CG1-CD1 3.9Å; V200-L220 HydrophobicContact CG2-CD1 4.5Å; I203-L220 HydrophobicContact CD1-CD1 4.28Å; I203-L220 HydrophobicContact CG1-CD1 3.87Å; L220-F222 HydrophobicContact CD2-CD1 4.28Å; L220-F222 HydrophobicContact CG-CD1 4.1Å
221	T	96.8	Very high	95.8	Very high	19 Å²	19	50.3 Å²	50.3	12%	0.117	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.6	175.3	-53	0	0	0	0	109.9	S166 V167 T168 T201 S202	S166-T221 WeakPolarHBondContact OG-CG2 3.19Å; V167-T221 CarbonylContact O-C 3.58Å; V167-T221 VanDerWaalsContact O-CA 3.26Å; V167-T221 WeakPolarHBondContact O-CA 3.23Å; T168-T221 PolarHBondContact OG1-OG1 3.22Å; T201-T221 PolarHBondContact N-O 2.8Å; S202-T221 PolarHBondContact N-O 2.98Å; S202-T221 PolarHBondContact O-N 2.76Å; S202-T221 WeakPolarHBondContact OG-CB 3.32Å; S202-T221 PolarHBondContact OG-OG1 2.93Å
222	F	95.5	Very high	96	Very high	10 Å²	10	49 Å²	49	4%	0.044	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	161.6	-176.6	77.4	-70.8	0	0	0	111.7	V167 L169 S199 V200 L220 P224 L251	V167-F222 HydrophobicContact CG2-CD1 4.21Å; V167-F222 HydrophobicContact CG2-CE1 3.92Å; V167-F222 HydrophobicContact CG2-CZ 4.37Å; V167-F222 PolarHBondContact N-O 2.01Å; V167-F222 PolarHBondContact O-N 2.86Å; L169-F222 HydrophobicContact CD1-CE1 3.85Å; L169-F222 HydrophobicContact CD1-CZ 4.45Å; L169-F222 HydrophobicContact CG-CE1 3.92Å; S199-F222 CarbonylContact O-C 3.51Å; S199-F222 WeakPolarHBondContact O-CA 3.06Å; S199-F222 VanDerWaalsContact O-CB 3.25Å; S199-F222 WeakPolarHBondContact O-CB 3.32Å; V200-F222 HydrophobicContact CG2-CB 4.21Å; L220-F222 HydrophobicContact CD2-CD1 4.28Å; L220-F222 HydrophobicContact CG-CD1 4.1Å; F222-P224 HydrophobicContact CD2-CB 4.29Å; F222-P224 HydrophobicContact CE2-CB 3.64Å; F222-P224 HydrophobicContact CZ-CB 4.21Å; F222-L251 HydrophobicContact CE2-CD1 4.45Å; F222-L251 HydrophobicContact CZ-CD1 4.09Å; F222-L251 HydrophobicContact CZ-CD2 4.33Å
223	Q	95.9	Very high	96.3	Very high	89 Å²	89	40.6 Å²	40.6	42%	0.416	20%	0.204	S	C	.	.			trans	-101.6	108.1	171.8	-68	178.9	18.3	0	0	108.5	S199	S199-Q223 PolarHBondContact O-N 2.84Å
224	P	95.4	Very high	96.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	19%	0.194	C	C	.	.			trans	-75.2	148.1	-176.3	31.4	-31.8	0	0	0	110.6	I161 R162 E163 S164 Q165 V167 F222 V253	I161-P224 HydrophobicContact CG2-CB 4.27Å; I161-P224 HydrophobicContact CG2-CG 3.61Å; R162-P224 VanDerWaalsContact O-CG 3.26Å; R162-P224 WeakPolarHBondContact O-CG 3.5Å; E163-P224 CarbonylContact C-O 3.49Å; E163-P224 WeakPolarHBondContact CA-O 3.35Å; S164-P224 PolarHBondContact N-O 3.04Å; Q165-P224 WeakPolarHBondContact O-CD 3.35Å; V167-P224 HydrophobicContact CG2-CG 4.29Å; F222-P224 HydrophobicContact CD2-CB 4.29Å; F222-P224 HydrophobicContact CE2-CB 3.64Å; F222-P224 HydrophobicContact CZ-CB 4.21Å; P224-V253 HydrophobicContact CB-CG1 4.12Å; P224-V253 HydrophobicContact CB-CG2 3.96Å; P224-V253 HydrophobicContact CG-CG1 4.19Å
225	K	95.4	Very high	96.7	Very high	111 Å²	111	38.4 Å²	38.4	48%	0.483	19%	0.189	S	C	.	.			trans	-95.9	159.4	170.7	-63.2	178.2	-178	178	0	110	T227 D228	K225-T227 PolarHBondContact O-N 3.29Å; K225-D228 PolarHBondContact N-OD2 2.78Å; K225-D228 WeakPolarHBondContact O-CB 3.41Å; K225-D228 PolarHBondContact O-N 2.92Å
226	W	96.3	Very high	96.8	Very high	96 Å²	96	36.9 Å²	36.9	36%	0.364	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-57.2	-31.6	172.1	71.5	-91.8	0	0	0	112.5	D228 H229 Y255 K258	W226-D228 PolarHBondContact O-N 3.06Å; W226-H229 VanDerWaalsContact O-CB 3.29Å; W226-H229 WeakPolarHBondContact O-CB 3.45Å; W226-H229 PolarHBondContact O-N 3.31Å; W226-Y255 HydrophobicContact CB-CD1 3.75Å; W226-Y255 HydrophobicContact CB-CD2 3.7Å; W226-Y255 HydrophobicContact CB-CE1 4.19Å; W226-Y255 HydrophobicContact CB-CE2 4.14Å; W226-Y255 HydrophobicContact CB-CG 3.51Å; W226-Y255 HydrophobicContact CE3-CE2 4.29Å; W226-K258 HydrophobicContact CD2-CG 3.93Å; W226-K258 HydrophobicContact CE3-CG 4.27Å; W226-K258 HydrophobicContact CG-CD 4.43Å; W226-K258 HydrophobicContact CG-CG 4.18Å; W226-K258 HydrophobicContact CZ2-CG 4.48Å
227	T	95.8	Very high	96.9	Very high	63 Å²	63	36.5 Å²	36.5	39%	0.387	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-70.5	-10.3	176	54	0	0	0	0	113.7	K225 H229 K231	K225-T227 PolarHBondContact O-N 3.29Å; T227-H229 VanDerWaalsContact C-N 3.32Å; T227-K231 WeakPolarHBondContact O-CE 3.48Å; T227-K231 PolarHBondContact O-NZ 2.84Å
228	D	95.8	Very high	96.8	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-85.5	-8.5	174	-59	-37.3	0	0	0	112.5	K225 W226 G230 K231 L251 V253	K225-D228 PolarHBondContact N-OD2 2.78Å; K225-D228 WeakPolarHBondContact O-CB 3.41Å; K225-D228 PolarHBondContact O-N 2.92Å; W226-D228 PolarHBondContact O-N 3.06Å; D228-G230 PolarHBondContact O-N 2.89Å; D228-K231 HydrophobicContact CB-CD 4.41Å; D228-K231 WeakPolarHBondContact O-CB 3.15Å; D228-K231 PolarHBondContact O-N 2.85Å; D228-K231 VanDerWaalsContact O-N 3.08Å; D228-K231 IonicContact OD1-NZ 3.57Å; D228-K231 PolarHBondContact OD1-NZ 2.82Å; D228-L251 HydrophobicContact CB-CD1 4.16Å; D228-V253 HydrophobicContact CB-CG2 4.31Å
229	H	97.4	Very high	96.7	Very high	72 Å²	72	38 Å²	38	33%	0.333	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	129.8	172.7	177.4	68.1	0	0	0	111.4	W226 T227 K231 D252 V253 Y255 N284	W226-H229 VanDerWaalsContact O-CB 3.29Å; W226-H229 WeakPolarHBondContact O-CB 3.45Å; W226-H229 PolarHBondContact O-N 3.31Å; T227-H229 VanDerWaalsContact C-N 3.32Å; H229-K231 PolarHBondContact O-N 3.24Å; H229-D252 IonicContact CE1-OD1 2.69Å; H229-D252 PolarHBondContact CE1-OD1 3.28Å; H229-D252 IonicContact ND1-OD1 2.74Å; H229-V253 HydrophobicContact CB-CB 4.16Å; H229-V253 PolarHBondContact ND1-N 3.24Å; H229-V253 PolarHBondContact ND1-O 3.28Å; H229-Y255 HydrophobicContact CB-CE1 3.68Å; H229-Y255 AromaticContact CG-CE1 3.94Å; H229-N284 PolarHBondContact CE1-ND2 2.82Å; H229-N284 PolarHBondContact ND1-ND2 2.84Å
230	G	96.7	Very high	96.5	Very high	40 Å²	40	39.5 Å²	39.5	41%	0.412	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-12.3	-178.1	0	0	0	0	0	114.3	D228 L251	D228-G230 PolarHBondContact O-N 2.89Å; G230-L251 PolarHBondContact N-O 2.83Å
231	K	96.8	Very high	96.2	Very high	63 Å²	63	44.8 Å²	44.8	27%	0.274	25%	0.245	S	C	.	.			trans	-67.3	150	176	-68	-170.3	-173	155.2	0	111.9	L188 E189 T227 D228 H229 R250 L251	L188-K231 HydrophobicContact CD1-CB 4.11Å; L188-K231 HydrophobicContact CD1-CD 4.37Å; L188-K231 HydrophobicContact CG-CD 4.48Å; E189-K231 HydrophobicContact CG-CB 4.44Å; E189-K231 HydrophobicContact CG-CD 4.29Å; E189-K231 HydrophobicContact CG-CG 4.38Å; E189-K231 WeakPolarHBondContact OE1-CA 3.15Å; E189-K231 WeakPolarHBondContact OE1-CB 3.19Å; T227-K231 WeakPolarHBondContact O-CE 3.48Å; T227-K231 PolarHBondContact O-NZ 2.84Å; D228-K231 HydrophobicContact CB-CD 4.41Å; D228-K231 WeakPolarHBondContact O-CB 3.15Å; D228-K231 PolarHBondContact O-N 2.85Å; D228-K231 VanDerWaalsContact O-N 3.08Å; D228-K231 IonicContact OD1-NZ 3.57Å; D228-K231 PolarHBondContact OD1-NZ 2.82Å; H229-K231 PolarHBondContact O-N 3.24Å; K231-R250 WeakPolarHBondContact O-CA 3.25Å; K231-L251 PolarHBondContact O-N 2.91Å
232	S	97.6	Very high	96.1	Very high	27 Å²	27	51 Å²	51	19%	0.189	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.4	179.4	-60.2	0	0	0	0	110.5	E189 V249	E189-S232 PolarHBondContact N-O 2.82Å; E189-S232 PolarHBondContact OE1-N 2.85Å; S232-V249 CarbonylContact C-O 3.59Å; S232-V249 WeakPolarHBondContact CA-O 3.34Å
233	V	97.3	Very high	96.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127	166.9	174	0	0	0	0	108.3	L169 W186 F187 L188 T248 V249 L251	L169-V233 HydrophobicContact CD1-CB 4.48Å; L169-V233 HydrophobicContact CD1-CG1 3.99Å; L169-V233 HydrophobicContact CD1-CG2 4.36Å; W186-V233 HydrophobicContact CE3-CG1 3.55Å; W186-V233 HydrophobicContact CZ3-CG1 3.61Å; F187-V233 WeakPolarHBondContact O-CA 3.35Å; L188-V233 HydrophobicContact CD1-CG2 3.69Å; V233-T248 CarbonylContact O-C 3.35Å; V233-T248 WeakPolarHBondContact O-CA 2.95Å; V233-V249 HydrophobicContact CB-CG2 4.27Å; V233-V249 PolarHBondContact N-O 2.8Å; V233-V249 PolarHBondContact O-N 3.45Å; V233-L251 HydrophobicContact CG2-CD1 3.67Å; V233-L251 HydrophobicContact CG2-CD2 3.83Å; V233-L251 HydrophobicContact CG2-CG 3.67Å
234	K	98	Very high	96.2	Very high	42 Å²	42	50.8 Å²	50.8	18%	0.183	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.8	179.9	175.4	-170.6	-58.8	-159	0	109.8	W186 F187 E246 R247 T248	W186-K234 CarbonylContact C-O 3.54Å; W186-K234 WeakPolarHBondContact CA-O 3.49Å; F187-K234 HydrophobicContact CB-CB 4.11Å; F187-K234 PolarHBondContact N-O 3.23Å; F187-K234 PolarHBondContact O-N 2.93Å; K234-E246 HydrophobicContact CD-CB 4.4Å; K234-E246 WeakPolarHBondContact CE-OE1 2.97Å; K234-E246 HydrophobicContact CG-CB 4.27Å; K234-E246 IonicContact NZ-OE1 2.74Å; K234-E246 PolarHBondContact NZ-OE1 2.83Å; K234-E246 IonicContact NZ-OE2 3.42Å; K234-R247 CarbonylContact C-O 3.53Å; K234-R247 VanDerWaalsContact CA-O 3.27Å; K234-R247 WeakPolarHBondContact CA-O 3.21Å; K234-T248 HydrophobicContact CB-CG2 4.46Å
235	C	98.1	Very high	96.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125	165.5	-178.7	0	0	0	0	109.3	I155 C171 K185 W186 E246 R247	I155-C235 HydrophobicContact CD1-CB 3.74Å; I155-C235 HydrophobicContact CG1-CB 3.94Å; C171-C235 HydrophobicContact CB-CB 3.6Å; C171-C235 WeakPolarHBondContact CB-SG 3.33Å; C171-C235 WeakPolarHBondContact SG-CB 2.97Å; C171-C235 CovalentContact SG-SG 2.01Å; C171-C235 PolarHBondContact SG-SG 2.81Å; K185-C235 CarbonylContact O-C 3.57Å; K185-C235 WeakPolarHBondContact O-CA 3.39Å; W186-C235 HydrophobicContact CE3-CB 4.22Å; W186-C235 HydrophobicContact CZ3-CB 4.19Å; C235-E246 CarbonylContact O-C 3.43Å; C235-E246 VanDerWaalsContact O-CA 3.27Å; C235-E246 WeakPolarHBondContact O-CA 3.01Å; C235-R247 PolarHBondContact N-O 2.93Å; C235-R247 PolarHBondContact O-N 3.49Å
236	Q	97.8	Very high	96.5	Very high	22 Å²	22	49.3 Å²	49.3	10%	0.103	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132	-176.8	-171.3	174.2	66.5	0	0	110.7	L184 K185 F187 Q238 V243 E246	L184-Q236 WeakPolarHBondContact CA-O 3.26Å; K185-Q236 PolarHBondContact N-O 3.24Å; K185-Q236 PolarHBondContact O-N 2.99Å; F187-Q236 HydrophobicContact CD2-CB 4.27Å; F187-Q236 HydrophobicContact CE2-CB 3.93Å; Q236-Q238 HydrophobicContact CG-CG 4.2Å; Q236-V243 VanDerWaalsContact CD-CG2 3.45Å; Q236-V243 HydrophobicContact CG-CG1 3.72Å; Q236-V243 HydrophobicContact CG-CG2 4.21Å; Q236-V243 VanDerWaalsContact NE2-CG1 3.32Å; Q236-E246 HydrophobicContact CB-CB 4.33Å; Q236-E246 HydrophobicContact CG-CB 4.28Å; Q236-E246 PolarHBondContact NE2-OE2 3.39Å; Q236-E246 VanDerWaalsContact NE2-OE2 3.08Å
237	V	98.1	Very high	96.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.3	174	-169.1	0	0	0	0	108.3	P153 L173 I182 L183 L184 L244 S245	P153-V237 HydrophobicContact CB-CG2 3.97Å; P153-V237 HydrophobicContact CG-CG2 3.71Å; L173-V237 HydrophobicContact CD2-CG1 4.05Å; L173-V237 HydrophobicContact CD2-CG2 4.28Å; I182-V237 HydrophobicContact CB-CG1 4.1Å; I182-V237 HydrophobicContact CD1-CG1 4.08Å; I182-V237 HydrophobicContact CG2-CG1 4.28Å; L183-V237 WeakPolarHBondContact O-CA 3.4Å; L184-V237 HydrophobicContact CD2-CB 4.3Å; L184-V237 HydrophobicContact CD2-CG1 4.26Å; L184-V237 HydrophobicContact CD2-CG2 3.71Å; V237-L244 HydrophobicContact CB-CB 4.46Å; V237-L244 HydrophobicContact CG1-CB 4.44Å; V237-L244 HydrophobicContact CG1-CD1 4.47Å; V237-L244 PolarHBondContact O-N 3.43Å; V237-S245 WeakPolarHBondContact CG2-OG 3.28Å; V237-S245 PolarHBondContact N-O 2.81Å
238	Q	96.5	Very high	96.7	Very high	21 Å²	21	50.2 Å²	50.2	10%	0.098	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.4	177.5	-64.9	-171.8	-9.9	0	0	111.4	I182 L183 K185 Q236 K242 V243	I182-Q238 CarbonylContact C-O 3.58Å; I182-Q238 VanDerWaalsContact CA-O 3.25Å; I182-Q238 WeakPolarHBondContact CA-O 3.3Å; L183-Q238 PolarHBondContact N-O 3.27Å; L183-Q238 PolarHBondContact O-N 3.28Å; K185-Q238 VanDerWaalsContact CE-OE1 3.3Å; Q236-Q238 HydrophobicContact CG-CG 4.2Å; Q238-K242 CarbonylContact C-O 3.53Å; Q238-K242 VanDerWaalsContact CA-O 3.25Å; Q238-K242 WeakPolarHBondContact CA-O 3.29Å; Q238-V243 HydrophobicContact CG-CG2 4.41Å
239	H	95.2	Very high	96.8	Very high	38 Å²	38	50.9 Å²	50.9	18%	0.176	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.7	168.1	175	-96.2	0	0	0	108.2	Y180 D181 I182 S241 K242 L244	Y180-H239 AromaticContact CD1-CD2 3.53Å; Y180-H239 AromaticContact CD1-NE2 3.83Å; Y180-H239 AromaticContact CD2-CE1 3.71Å; Y180-H239 AromaticContact CD2-NE2 3.46Å; Y180-H239 WeakPolarHBondContact CD2-NE2 3.25Å; Y180-H239 HydrophobicContact CE1-CB 4.05Å; Y180-H239 AromaticContact CE1-CD2 3.51Å; Y180-H239 AromaticContact CE1-CG 3.63Å; Y180-H239 AromaticContact CE1-NE2 3.98Å; Y180-H239 AromaticContact CE2-CE1 3.51Å; Y180-H239 AromaticContact CE2-ND1 3.79Å; Y180-H239 AromaticContact CE2-NE2 3.68Å; Y180-H239 AromaticContact CG-CD2 3.79Å; Y180-H239 AromaticContact CG-NE2 3.55Å; Y180-H239 AromaticContact CZ-CD2 3.81Å; Y180-H239 AromaticContact CZ-CE1 3.83Å; Y180-H239 AromaticContact CZ-CG 3.65Å; Y180-H239 AromaticContact CZ-ND1 3.65Å; Y180-H239 AromaticContact CZ-NE2 3.93Å; D181-H239 PolarHBondContact O-CD2 3.3Å; D181-H239 VanDerWaalsContact O-CD2 3.22Å; I182-H239 HydrophobicContact CG2-CB 4.39Å; H239-S241 VanDerWaalsContact C-N 3.27Å; H239-S241 PolarHBondContact O-N 3.4Å; H239-K242 PolarHBondContact N-O 2.84Å; H239-K242 WeakPolarHBondContact O-CB 3.45Å; H239-K242 PolarHBondContact O-N 3.01Å; H239-L244 HydrophobicContact CB-CD1 3.56Å; H239-L244 HydrophobicContact CB-CD2 4.27Å; H239-L244 HydrophobicContact CB-CG 3.98Å
240	S	92.6	Very high	96.8	Very high	101 Å²	101	56.5 Å²	56.5	71%	0.706	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	46.5	-176.2	-49.7	0	0	0	0	113.1	K242	S240-K242 PolarHBondContact O-N 3.48Å
241	S	90.7	Very high	96.8	Very high	113 Å²	113	54.8 Å²	54.8	79%	0.79	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-0.6	-176.9	-50.5	0	0	0	0	116.1	H239	H239-S241 VanDerWaalsContact C-N 3.27Å; H239-S241 PolarHBondContact O-N 3.4Å
242	K	95.3	Very high	96.9	Very high	150 Å²	150	55.4 Å²	55.4	65%	0.652	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.9	172.7	-175.9	179	176.9	-179	0	110	Q238 H239 S240 L244	Q238-K242 CarbonylContact C-O 3.53Å; Q238-K242 VanDerWaalsContact CA-O 3.25Å; Q238-K242 WeakPolarHBondContact CA-O 3.29Å; H239-K242 PolarHBondContact N-O 2.84Å; H239-K242 WeakPolarHBondContact O-CB 3.45Å; H239-K242 PolarHBondContact O-N 3.01Å; S240-K242 PolarHBondContact O-N 3.48Å; K242-L244 PolarHBondContact O-N 2.86Å
243	V	96.9	Very high	96.9	Very high	66 Å²	66	54.1 Å²	54.1	40%	0.4	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	122.5	170.6	-179.3	0	0	0	0	109.3	Q236 Q238	Q236-V243 VanDerWaalsContact CD-CG2 3.45Å; Q236-V243 HydrophobicContact CG-CG1 3.72Å; Q236-V243 HydrophobicContact CG-CG2 4.21Å; Q236-V243 VanDerWaalsContact NE2-CG1 3.32Å; Q238-V243 HydrophobicContact CG-CG2 4.41Å
244	L	97.4	Very high	97	Very high	29 Å²	29	55.6 Å²	55.6	15%	0.152	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-46.8	178.5	-64.8	-169.6	0	0	0	111.5	W37 P150 Y180 I182 V237 H239 K242	W37-L244 HydrophobicContact CZ2-CD1 3.56Å; P150-L244 HydrophobicContact CB-CB 3.82Å; P150-L244 HydrophobicContact CG-CB 3.85Å; P150-L244 HydrophobicContact CG-CD2 4.27Å; P150-L244 HydrophobicContact CG-CG 4.46Å; Y180-L244 HydrophobicContact CE1-CD1 4.13Å; I182-L244 HydrophobicContact CG2-CD1 4.27Å; V237-L244 HydrophobicContact CB-CB 4.46Å; V237-L244 HydrophobicContact CG1-CB 4.44Å; V237-L244 HydrophobicContact CG1-CD1 4.47Å; V237-L244 PolarHBondContact O-N 3.43Å; H239-L244 HydrophobicContact CB-CD1 3.56Å; H239-L244 HydrophobicContact CB-CD2 4.27Å; H239-L244 HydrophobicContact CB-CG 3.98Å; K242-L244 PolarHBondContact O-N 2.86Å
245	S	97.9	Very high	97	Very high	13 Å²	13	53.9 Å²	53.9	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	166.2	-179.7	62.4	0	0	0	0	110.1	F151 V237	F151-S245 VanDerWaalsContact O-CB 3.23Å; F151-S245 WeakPolarHBondContact O-CB 3.33Å; F151-S245 PolarHBondContact O-OG 2.8Å; V237-S245 WeakPolarHBondContact CG2-OG 3.28Å; V237-S245 PolarHBondContact N-O 2.81Å
246	E	97.9	Very high	96.9	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	161.3	176.6	60.2	-176.3	-132.8	0	0	111.9	K234 C235 Q236	K234-E246 HydrophobicContact CD-CB 4.4Å; K234-E246 WeakPolarHBondContact CE-OE1 2.97Å; K234-E246 HydrophobicContact CG-CB 4.27Å; K234-E246 IonicContact NZ-OE1 2.74Å; K234-E246 PolarHBondContact NZ-OE1 2.83Å; K234-E246 IonicContact NZ-OE2 3.42Å; C235-E246 CarbonylContact O-C 3.43Å; C235-E246 VanDerWaalsContact O-CA 3.27Å; C235-E246 WeakPolarHBondContact O-CA 3.01Å; Q236-E246 HydrophobicContact CB-CB 4.33Å; Q236-E246 HydrophobicContact CG-CB 4.28Å; Q236-E246 PolarHBondContact NE2-OE2 3.39Å; Q236-E246 VanDerWaalsContact NE2-OE2 3.08Å
247	R	98.2	Very high	96.8	Very high	118 Å²	118	54.4 Å²	54.4	45%	0.445	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	138	171.8	-176.2	66.3	-178.5	178.9	0.9	109.3	P153 I155 K234 C235	P153-R247 HydrophobicContact CG-CB 3.84Å; P153-R247 VanDerWaalsContact O-CB 3.25Å; P153-R247 WeakPolarHBondContact O-CB 3.33Å; P153-R247 WeakPolarHBondContact O-CG 3.03Å; I155-R247 HydrophobicContact CD1-CB 4.12Å; I155-R247 HydrophobicContact CD1-CG 4.05Å; I155-R247 WeakPolarHBondContact CD1-O 3.12Å; I155-R247 HydrophobicContact CG1-CB 4.3Å; I155-R247 HydrophobicContact CG1-CG 4.12Å; K234-R247 CarbonylContact C-O 3.53Å; K234-R247 VanDerWaalsContact CA-O 3.27Å; K234-R247 WeakPolarHBondContact CA-O 3.21Å; C235-R247 PolarHBondContact N-O 2.93Å; C235-R247 PolarHBondContact O-N 3.49Å
248	T	98.1	Very high	96.7	Very high	59 Å²	59	56.8 Å²	56.8	36%	0.362	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.8	176.4	-56.6	0	0	0	0	110.5	V233 K234	V233-T248 CarbonylContact O-C 3.35Å; V233-T248 WeakPolarHBondContact O-CA 2.95Å; K234-T248 HydrophobicContact CB-CG2 4.46Å
249	V	97.8	Very high	96.6	Very high	25 Å²	25	56.8 Å²	56.8	15%	0.152	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.5	173.5	-64.6	0	0	0	0	109.1	I155 M157 S232 V233	I155-V249 HydrophobicContact CB-CG1 4.07Å; I155-V249 HydrophobicContact CB-CG2 4.32Å; I155-V249 HydrophobicContact CD1-CG1 4.25Å; I155-V249 HydrophobicContact CD1-CG2 4Å; I155-V249 HydrophobicContact CG2-CG1 4.38Å; I155-V249 HydrophobicContact CG2-CG2 3.82Å; M157-V249 HydrophobicContact CE-CB 4.05Å; M157-V249 HydrophobicContact CE-CG1 4.47Å; M157-V249 HydrophobicContact CE-CG2 4.24Å; M157-V249 HydrophobicContact SD-CB 4.13Å; M157-V249 HydrophobicContact SD-CG2 3.64Å; S232-V249 CarbonylContact C-O 3.59Å; S232-V249 WeakPolarHBondContact CA-O 3.34Å; V233-V249 HydrophobicContact CB-CG2 4.27Å; V233-V249 PolarHBondContact N-O 2.8Å; V233-V249 PolarHBondContact O-N 3.45Å
250	R	97.9	Very high	96.6	Very high	191 Å²	191	58.5 Å²	58.5	72%	0.721	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	138	174.9	-69.9	-175.8	177.7	171.4	-1.6	110.4	K231	K231-R250 WeakPolarHBondContact O-CA 3.25Å
251	L	97.8	Very high	96.8	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	27%	0.268	C	S	.	.			trans	-76.5	127.4	176.9	-66.4	176.7	0	0	0	110.8	I161 L169 L188 F222 D228 G230 K231 V233 V253	I161-L251 HydrophobicContact CD1-CD2 4.19Å; L169-L251 HydrophobicContact CD1-CD2 4.22Å; L188-L251 HydrophobicContact CD1-CD1 4.11Å; F222-L251 HydrophobicContact CE2-CD1 4.45Å; F222-L251 HydrophobicContact CZ-CD1 4.09Å; F222-L251 HydrophobicContact CZ-CD2 4.33Å; D228-L251 HydrophobicContact CB-CD1 4.16Å; G230-L251 PolarHBondContact N-O 2.83Å; K231-L251 PolarHBondContact O-N 2.91Å; V233-L251 HydrophobicContact CG2-CD1 3.67Å; V233-L251 HydrophobicContact CG2-CD2 3.83Å; V233-L251 HydrophobicContact CG2-CG 3.67Å; L251-V253 HydrophobicContact CB-CG2 4.06Å
252	D	97.8	Very high	97	Very high	76 Å²	76	55.4 Å²	55.4	41%	0.406	26%	0.258	S	S	.	.			trans	-105	76.3	168.7	-175.7	16.6	0	0	0	109.8	H229 K254 N284	H229-D252 IonicContact CE1-OD1 2.69Å; H229-D252 PolarHBondContact CE1-OD1 3.28Å; H229-D252 IonicContact ND1-OD1 2.74Å; D252-K254 IonicContact OD1-NZ 3.71Å; D252-K254 PolarHBondContact OD1-NZ 3.25Å; D252-K254 WeakPolarHBondContact OD2-CE 3.26Å; D252-K254 IonicContact OD2-NZ 2.81Å; D252-K254 PolarHBondContact OD2-NZ 3.12Å; D252-N284 PolarHBondContact OD1-ND2 3.18Å
253	V	98.3	Very high	97	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.9	178.8	-171.6	0	0	0	0	110.2	I161 E163 P224 D228 H229 L251 Y255 N284	I161-V253 HydrophobicContact CG2-CG1 4.43Å; I161-V253 HydrophobicContact CG2-CG2 4.15Å; I161-V253 CarbonylContact O-C 3.59Å; I161-V253 WeakPolarHBondContact O-CA 3.29Å; E163-V253 HydrophobicContact CB-CG1 4.29Å; P224-V253 HydrophobicContact CB-CG1 4.12Å; P224-V253 HydrophobicContact CB-CG2 3.96Å; P224-V253 HydrophobicContact CG-CG1 4.19Å; D228-V253 HydrophobicContact CB-CG2 4.31Å; H229-V253 HydrophobicContact CB-CB 4.16Å; H229-V253 PolarHBondContact ND1-N 3.24Å; H229-V253 PolarHBondContact ND1-O 3.28Å; L251-V253 HydrophobicContact CB-CG2 4.06Å; V253-Y255 WeakPolarHBondContact O-CD1 3.47Å; V253-Y255 WeakPolarHBondContact O-CE1 3.09Å; V253-N284 PolarHBondContact O-ND2 3.49Å
254	K	98.1	Very high	96.8	Very high	33 Å²	33	52 Å²	52	14%	0.143	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.2	174.1	-55.3	-52.1	-179.4	-163.3	0	111.1	E160 I161 R162 E163 D252 N284 P285 I336	E160-K254 HydrophobicContact CG-CG 4Å; I161-K254 WeakPolarHBondContact O-CB 3.25Å; I161-K254 PolarHBondContact O-N 3.38Å; R162-K254 CarbonylContact C-O 3.53Å; R162-K254 WeakPolarHBondContact CA-O 3.29Å; R162-K254 HydrophobicContact CG-CB 4.34Å; E163-K254 PolarHBondContact N-O 3.27Å; D252-K254 IonicContact OD1-NZ 3.71Å; D252-K254 PolarHBondContact OD1-NZ 3.25Å; D252-K254 WeakPolarHBondContact OD2-CE 3.26Å; D252-K254 IonicContact OD2-NZ 2.81Å; D252-K254 PolarHBondContact OD2-NZ 3.12Å; K254-N284 WeakPolarHBondContact CA-O 3.37Å; K254-N284 PolarHBondContact NZ-OD1 3.32Å; K254-P285 HydrophobicContact CD-CG 4.3Å; K254-I336 HydrophobicContact CB-CD1 3.68Å; K254-I336 HydrophobicContact CB-CG1 3.99Å; K254-I336 HydrophobicContact CG-CD1 4.25Å
255	Y	97.8	Very high	96.6	Very high	6 Å²	6	53 Å²	53	2%	0.024	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.3	-176.1	52.9	-88.1	0	0	0	111.5	E163 W226 H229 V253 K258 S282 N284 N334	E163-Y255 VanDerWaalsContact OE1-CB 3.25Å; E163-Y255 WeakPolarHBondContact OE1-CB 3.18Å; W226-Y255 HydrophobicContact CB-CD1 3.75Å; W226-Y255 HydrophobicContact CB-CD2 3.7Å; W226-Y255 HydrophobicContact CB-CE1 4.19Å; W226-Y255 HydrophobicContact CB-CE2 4.14Å; W226-Y255 HydrophobicContact CB-CG 3.51Å; W226-Y255 HydrophobicContact CE3-CE2 4.29Å; H229-Y255 HydrophobicContact CB-CE1 3.68Å; H229-Y255 AromaticContact CG-CE1 3.94Å; V253-Y255 WeakPolarHBondContact O-CD1 3.47Å; V253-Y255 WeakPolarHBondContact O-CE1 3.09Å; Y255-K258 HydrophobicContact CD2-CG 4.4Å; Y255-S282 PolarHBondContact OH-OG 3.15Å; Y255-N284 HydrophobicContact CD1-CB 3.99Å; Y255-N284 HydrophobicContact CE1-CB 3.44Å; Y255-N284 VanDerWaalsContact CE1-CB 3.44Å; Y255-N284 HydrophobicContact CE2-CB 4.48Å; Y255-N284 PolarHBondContact N-O 3.26Å; Y255-N334 PolarHBondContact O-ND2 3.16Å
256	T	96.6	Very high	96.3	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	155.6	174.9	58.7	0	0	0	0	111	E163 K258 I336 P338	E163-T256 PolarHBondContact OE1-N 2.84Å; T256-K258 PolarHBondContact O-N 2.67Å; T256-I336 HydrophobicContact CG2-CB 4.4Å; T256-I336 HydrophobicContact CG2-CG2 4.06Å; T256-P338 WeakPolarHBondContact CB-O 3.4Å; T256-P338 WeakPolarHBondContact CG2-O 3.18Å
257	P	95.5	Very high	96	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	137.3	-179.6	-25.2	35.5	0	0	0	112.6	L259 V280 S282 L287 A332 N334 G337 G339	P257-L259 HydrophobicContact CB-CD1 4.08Å; P257-L259 WeakPolarHBondContact O-CD1 3.21Å; P257-V280 HydrophobicContact CB-CG1 4.05Å; P257-S282 CarbonylContact C-O 3.6Å; P257-S282 WeakPolarHBondContact CA-O 3.49Å; P257-L287 HydrophobicContact CG-CD2 3.78Å; P257-A332 HydrophobicContact CB-CB 4.25Å; P257-A332 HydrophobicContact CG-CB 4.36Å; P257-A332 WeakPolarHBondContact CG-O 3.27Å; P257-N334 HydrophobicContact CG-CB 4.16Å; P257-G337 WeakPolarHBondContact CD-O 3.46Å; P257-G339 WeakPolarHBondContact O-CA 3.35Å
258	K	96.1	Very high	95.7	Very high	50 Å²	50	53.2 Å²	53.2	22%	0.217	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.9	173.8	-54.7	-51.7	179.4	-163.7	0	108.5	E163 W226 Y255 T256 N281 S282	E163-K258 IonicContact OE1-NZ 3.87Å; E163-K258 PolarHBondContact OE1-NZ 2.64Å; E163-K258 WeakPolarHBondContact OE2-CE 3.36Å; E163-K258 IonicContact OE2-NZ 3.1Å; E163-K258 PolarHBondContact OE2-NZ 3.04Å; W226-K258 HydrophobicContact CD2-CG 3.93Å; W226-K258 HydrophobicContact CE3-CG 4.27Å; W226-K258 HydrophobicContact CG-CD 4.43Å; W226-K258 HydrophobicContact CG-CG 4.18Å; W226-K258 HydrophobicContact CZ2-CG 4.48Å; Y255-K258 HydrophobicContact CD2-CG 4.4Å; T256-K258 PolarHBondContact O-N 2.67Å; K258-N281 PolarHBondContact O-N 3.25Å; K258-S282 PolarHBondContact N-O 2.93Å; K258-S282 PolarHBondContact O-N 3.47Å
259	L	95.1	Very high	95.4	Very high	20 Å²	20	54.9 Å²	54.9	11%	0.105	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150.9	-172.7	-57.9	95.2	0	0	0	112	P257 C278 R279 V280 A332 G339	P257-L259 HydrophobicContact CB-CD1 4.08Å; P257-L259 WeakPolarHBondContact O-CD1 3.21Å; L259-C278 VanDerWaalsContact CD2-SG 3.55Å; L259-R279 CarbonylContact C-O 3.5Å; L259-R279 VanDerWaalsContact CA-O 3.28Å; L259-R279 WeakPolarHBondContact CA-O 3.38Å; L259-V280 HydrophobicContact CD2-CG2 4.03Å; L259-V280 HydrophobicContact CG-CG2 4.23Å; L259-A332 HydrophobicContact CD2-CB 3.82Å; L259-G339 WeakPolarHBondContact CD1-O 3.3Å
260	E	95.6	Very high	95.1	Very high	74 Å²	74	58.5 Å²	58.5	35%	0.346	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.1	173.8	-179.5	-176.8	172.3	0	0	109.1	K262 C278 R279 N281	E260-K262 WeakPolarHBondContact OE1-CE 3.32Å; E260-K262 IonicContact OE1-NZ 3.59Å; E260-K262 PolarHBondContact OE1-NZ 3.13Å; E260-K262 VanDerWaalsContact OE1-NZ 3.1Å; E260-C278 CarbonylContact O-C 3.55Å; E260-C278 WeakPolarHBondContact O-CA 3.32Å; E260-R279 PolarHBondContact N-O 2.92Å; E260-R279 PolarHBondContact O-N 3.3Å; E260-N281 WeakPolarHBondContact CB-ND2 3.12Å; E260-N281 PolarHBondContact OE2-ND2 2.92Å
261	I	96	Very high	94.8	Very high	18 Å²	18	53.9 Å²	53.9	9%	0.092	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.8	176.6	-177.9	171.7	0	0	0	109.7	V263 T277 W294 E342 V344	I261-V263 HydrophobicContact CD1-CG2 4.32Å; I261-V263 HydrophobicContact CG1-CG2 4.24Å; I261-T277 CarbonylContact C-O 3.51Å; I261-T277 WeakPolarHBondContact CA-O 3.16Å; I261-W294 HydrophobicContact CD1-CH2 4.3Å; I261-W294 HydrophobicContact CD1-CZ3 3.62Å; I261-W294 HydrophobicContact CG1-CH2 4.32Å; I261-W294 HydrophobicContact CG1-CZ3 4.13Å; I261-E342 WeakPolarHBondContact CG2-O 3.4Å; I261-V344 HydrophobicContact CD1-CG2 4.46Å; I261-V344 HydrophobicContact CG1-CG2 4.42Å; I261-V344 HydrophobicContact CG2-CG2 3.57Å
262	K	95.8	Very high	94.5	Very high	132 Å²	132	57.5 Å²	57.5	57%	0.574	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.2	172	-65.1	-173.9	-178.2	177.5	0	109.2	E260 M276 T277	E260-K262 WeakPolarHBondContact OE1-CE 3.32Å; E260-K262 IonicContact OE1-NZ 3.59Å; E260-K262 PolarHBondContact OE1-NZ 3.13Å; E260-K262 VanDerWaalsContact OE1-NZ 3.1Å; K262-M276 CarbonylContact O-C 3.51Å; K262-M276 VanDerWaalsContact O-CA 3.32Å; K262-M276 WeakPolarHBondContact O-CA 3.5Å; K262-T277 PolarHBondContact N-O 2.91Å; K262-T277 PolarHBondContact O-N 2.93Å
263	V	94.5	Very high	94.2	Very high	20 Å²	20	56.8 Å²	56.8	12%	0.121	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.2	179.7	178.6	0	0	0	0	108.4	I261 T266 V274 M276 V344	I261-V263 HydrophobicContact CD1-CG2 4.32Å; I261-V263 HydrophobicContact CG1-CG2 4.24Å; V263-T266 HydrophobicContact CB-CG2 3.94Å; V263-T266 HydrophobicContact CG1-CG2 4.04Å; V263-V274 HydrophobicContact CG1-CG1 3.88Å; V263-M276 HydrophobicContact CB-CG 4.39Å; V263-M276 HydrophobicContact CG1-CE 4.05Å; V263-M276 HydrophobicContact CG1-CG 4.09Å; V263-M276 HydrophobicContact CG2-CB 4.31Å; V263-M276 HydrophobicContact CG2-CE 4.43Å; V263-M276 HydrophobicContact CG2-CG 3.88Å; V263-M276 HydrophobicContact CG2-SD 4.05Å; V263-V344 HydrophobicContact CB-CG1 3.88Å; V263-V344 HydrophobicContact CG2-CB 3.79Å; V263-V344 HydrophobicContact CG2-CG1 3.51Å; V263-V344 HydrophobicContact CG2-CG2 4.38Å
264	N	93.1	Very high	94	Very high	125 Å²	125	56.8 Å²	56.8	67%	0.668	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.5	119.4	178.5	-173.2	30.2	0	0	0	111.9	T275	N264-T275 PolarHBondContact N-O 2.03Å; N264-T275 PolarHBondContact O-N 2.78Å
265	P	92.8	Very high	93.8	Very high	49 Å²	49	57.8 Å²	57.8	32%	0.318	30%	0.299	S	S	.	.			cis	-75.9	159.2	-15	33.9	-35.7	0	0	0	111.9	E267 V268	P265-E267 WeakPolarHBondContact CB-O 3.36Å; P265-V268 HydrophobicContact CG-CB 4.03Å; P265-V268 HydrophobicContact CG-CG2 4.06Å
266	T	90.6	Very high	93.7	Very high	65 Å²	65	57.5 Å²	57.5	40%	0.399	30%	0.298	S	S	.	.	S	Bend	trans	-80.9	-22.5	172.6	47.2	0	0	0	0	113.1	V263 V344 T347	V263-T266 HydrophobicContact CB-CG2 3.94Å; V263-T266 HydrophobicContact CG1-CG2 4.04Å; T266-V344 HydrophobicContact CG2-CG1 4.07Å; T266-T347 PolarHBondContact O-N 3.18Å; T266-T347 PolarHBondContact O-OG1 2.92Å
267	E	92.1	Very high	93.6	Very high	132 Å²	132	57.8 Å²	57.8	62%	0.617	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.2	173	-47.6	-168.5	160.9	0	0	107.8	P265 T347	P265-E267 WeakPolarHBondContact CB-O 3.36Å; E267-T347 WeakPolarHBondContact CA-OG1 3.32Å; E267-T347 WeakPolarHBondContact CB-OG1 3.27Å; E267-T347 WeakPolarHBondContact CG-OG1 3.47Å
268	V	92.9	Very high	93.5	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142.9	-172.6	72	0	0	0	0	111.2	P265 N272 V274 V320 L346 T347 V348 H349	P265-V268 HydrophobicContact CG-CB 4.03Å; P265-V268 HydrophobicContact CG-CG2 4.06Å; V268-N272 HydrophobicContact CG2-CB 3.63Å; V268-V274 HydrophobicContact CB-CG2 3.77Å; V268-V274 HydrophobicContact CG1-CG2 3.64Å; V268-V274 HydrophobicContact CG2-CG2 3.81Å; V268-V320 HydrophobicContact CG1-CB 4.22Å; V268-V320 HydrophobicContact CG1-CG1 3.86Å; V268-V320 HydrophobicContact CG1-CG2 4.41Å; V268-L346 HydrophobicContact CG1-CD1 3.94Å; V268-T347 PolarHBondContact N-O 3.19Å; V268-V348 HydrophobicContact CG1-CG1 4.49Å; V268-V348 HydrophobicContact CG1-CG2 4.04Å; V268-V348 CarbonylContact O-C 3.57Å; V268-V348 VanDerWaalsContact O-CA 3.24Å; V268-V348 WeakPolarHBondContact O-CA 3.47Å; V268-H349 PolarHBondContact O-N 2.87Å
269	E	91.6	Very high	93.4	Very high	94 Å²	94	61.3 Å²	61.3	44%	0.439	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	151.2	170.4	-66	175	164	0	0	111	N272 H349	E269-N272 WeakPolarHBondContact O-CB 3.43Å; E269-N272 PolarHBondContact O-N 3.37Å; E269-H349 CarbonylContact C-O 3.59Å; E269-H349 WeakPolarHBondContact CA-O 3.29Å
270	K	91.8	Very high	93.3	Very high	101 Å²	101	60.4 Å²	60.4	44%	0.439	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	143.2	176.7	-170.6	-171.9	171.9	-173.7	0	111.1	N272 V320 H349	K270-N272 PolarHBondContact O-N 3.49Å; K270-V320 WeakPolarHBondContact CA-O 3.49Å; K270-V320 WeakPolarHBondContact CG-O 3Å; K270-H349 PolarHBondContact N-O 2.82Å
271	N	90.1	Very high	93.2	Very high	94 Å²	94	60.2 Å²	60.2	50%	0.503	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	-5.9	-178.5	-47.7	-43.4	0	0	0	115.8	V320	N271-V320 PolarHBondContact N-O 2.93Å
272	N	91.9	Very high	93.1	Very high	79 Å²	79	60.8 Å²	60.8	42%	0.422	31%	0.314	S	S	.	.			trans	-79.6	174.8	167.9	-70.4	-28.2	0	0	0	110.9	V268 E269 K270 S319 V320	V268-N272 HydrophobicContact CG2-CB 3.63Å; E269-N272 WeakPolarHBondContact O-CB 3.43Å; E269-N272 PolarHBondContact O-N 3.37Å; K270-N272 PolarHBondContact O-N 3.49Å; N272-S319 PolarHBondContact O-N 3.47Å; N272-V320 VanDerWaalsContact O-CG2 3.32Å; N272-V320 WeakPolarHBondContact O-CG2 3.42Å; N272-V320 PolarHBondContact O-N 3.49Å
273	S	92.3	Very high	93.1	Very high	60 Å²	60	55.2 Å²	55.2	42%	0.42	29%	0.292	S	S	.	.			trans	-112.2	148.2	-178.1	-57.5	0	0	0	0	111.8	L317	S273-L317 CarbonylContact C-O 3.48Å; S273-L317 WeakPolarHBondContact CA-O 3.16Å
274	V	94.1	Very high	93.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.8	176.6	175.2	0	0	0	0	109	V263 V268 M276 L317 V320 L346	V263-V274 HydrophobicContact CG1-CG1 3.88Å; V268-V274 HydrophobicContact CB-CG2 3.77Å; V268-V274 HydrophobicContact CG1-CG2 3.64Å; V268-V274 HydrophobicContact CG2-CG2 3.81Å; V274-M276 HydrophobicContact CG1-CE 3.98Å; V274-M276 HydrophobicContact CG1-CG 4.13Å; V274-L317 HydrophobicContact CB-CB 4.41Å; V274-L317 PolarHBondContact N-O 2.86Å; V274-L317 PolarHBondContact O-N 3.12Å; V274-V320 HydrophobicContact CB-CG2 4.44Å; V274-V320 HydrophobicContact CG2-CG2 3.97Å; V274-L346 HydrophobicContact CG1-CD1 4.19Å; V274-L346 HydrophobicContact CG2-CD1 3.84Å; V274-L346 HydrophobicContact CG2-CD2 4.39Å
275	T	94.4	Very high	93.2	Very high	54 Å²	54	50.7 Å²	50.7	33%	0.331	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.3	170.9	-57.7	0	0	0	0	109.7	N264 K314 I316	N264-T275 PolarHBondContact N-O 2.03Å; N264-T275 PolarHBondContact O-N 2.78Å; T275-K314 HydrophobicContact CG2-CD 4.47Å; T275-I316 HydrophobicContact CG2-CG1 4.44Å
276	M	95.2	Very high	93.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.9	171.5	-50.8	-172.5	179.6	0	0	108.9	K262 V263 V274 W294 K314 L315 L317 Y328 L346	K262-M276 CarbonylContact O-C 3.51Å; K262-M276 VanDerWaalsContact O-CA 3.32Å; K262-M276 WeakPolarHBondContact O-CA 3.5Å; V263-M276 HydrophobicContact CB-CG 4.39Å; V263-M276 HydrophobicContact CG1-CE 4.05Å; V263-M276 HydrophobicContact CG1-CG 4.09Å; V263-M276 HydrophobicContact CG2-CB 4.31Å; V263-M276 HydrophobicContact CG2-CE 4.43Å; V263-M276 HydrophobicContact CG2-CG 3.88Å; V263-M276 HydrophobicContact CG2-SD 4.05Å; V274-M276 HydrophobicContact CG1-CE 3.98Å; V274-M276 HydrophobicContact CG1-CG 4.13Å; M276-W294 HydrophobicContact CB-CH2 3.51Å; M276-W294 HydrophobicContact CB-CZ2 4.41Å; M276-W294 HydrophobicContact CB-CZ3 3.66Å; M276-W294 HydrophobicContact SD-CZ3 4.25Å; M276-K314 CarbonylContact O-C 3.58Å; M276-K314 WeakPolarHBondContact O-CA 3.49Å; M276-L315 HydrophobicContact CB-CB 4.29Å; M276-L315 PolarHBondContact N-O 3.46Å; M276-L315 PolarHBondContact O-N 3.15Å; M276-L315 HydrophobicContact SD-CD2 4.15Å; M276-L317 HydrophobicContact CE-CD1 3.84Å; M276-Y328 HydrophobicContact CE-CD1 3.88Å; M276-Y328 HydrophobicContact CE-CD2 3.62Å; M276-Y328 HydrophobicContact CE-CE1 4.04Å; M276-Y328 HydrophobicContact CE-CE2 3.82Å; M276-Y328 HydrophobicContact CE-CG 3.65Å; M276-Y328 HydrophobicContact SD-CD1 3.58Å; M276-Y328 VanDerWaalsContact SD-CD1 3.58Å; M276-Y328 HydrophobicContact SD-CD2 4.16Å; M276-Y328 HydrophobicContact SD-CE1 4.19Å; M276-Y328 HydrophobicContact SD-CG 3.54Å; M276-Y328 VanDerWaalsContact SD-CG 3.54Å; M276-L346 HydrophobicContact CE-CB 4.15Å; M276-L346 HydrophobicContact CE-CD2 3.84Å; M276-L346 HydrophobicContact CE-CG 4.44Å
277	T	94.3	Very high	92.9	Very high	37 Å²	37	55.1 Å²	55.1	23%	0.227	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.3	177	-52.8	0	0	0	0	109	I261 K262 M312 K314	I261-T277 CarbonylContact C-O 3.51Å; I261-T277 WeakPolarHBondContact CA-O 3.16Å; K262-T277 PolarHBondContact N-O 2.91Å; K262-T277 PolarHBondContact O-N 2.93Å; T277-M312 HydrophobicContact CG2-CG 3.58Å; T277-M312 HydrophobicContact CG2-SD 3.58Å; T277-M312 VanDerWaalsContact CG2-SD 3.58Å; T277-K314 HydrophobicContact CG2-CG 4.27Å
278	C	94.2	Very high	92.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.3	173	178.1	0	0	0	0	109.6	L259 E260 V292 W294 M312 S313 C330	L259-C278 VanDerWaalsContact CD2-SG 3.55Å; E260-C278 CarbonylContact O-C 3.55Å; E260-C278 WeakPolarHBondContact O-CA 3.32Å; C278-V292 HydrophobicContact CB-CG1 4.11Å; C278-W294 HydrophobicContact CB-CH2 3.63Å; C278-W294 HydrophobicContact CB-CZ2 3.45Å; C278-W294 VanDerWaalsContact CB-CZ2 3.45Å; C278-W294 HydrophobicContact CB-CZ3 4.49Å; C278-M312 CarbonylContact O-C 3.48Å; C278-M312 VanDerWaalsContact O-CA 3.29Å; C278-M312 WeakPolarHBondContact O-CA 3.44Å; C278-S313 PolarHBondContact N-O 2.83Å; C278-S313 PolarHBondContact O-N 2.99Å; C278-C330 HydrophobicContact CB-CB 3.51Å; C278-C330 WeakPolarHBondContact CB-SG 3.37Å; C278-C330 WeakPolarHBondContact SG-CB 3.42Å; C278-C330 CovalentContact SG-SG 2.01Å; C278-C330 PolarHBondContact SG-SG 3.04Å
279	R	93.1	Very high	91.2	Very high	126 Å²	126	62.6 Å²	62.6	48%	0.475	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.7	179.9	-178.9	-178.1	169	116.7	2.9	110.3	L259 E260 N281 Q311	L259-R279 CarbonylContact C-O 3.5Å; L259-R279 VanDerWaalsContact CA-O 3.28Å; L259-R279 WeakPolarHBondContact CA-O 3.38Å; E260-R279 PolarHBondContact N-O 2.92Å; E260-R279 PolarHBondContact O-N 3.3Å; R279-N281 WeakPolarHBondContact CD-OD1 3.28Å; R279-N281 PolarHBondContact NE-OD1 3.48Å; R279-N281 PolarHBondContact O-N 3.29Å; R279-Q311 CarbonylContact C-O 3.59Å; R279-Q311 WeakPolarHBondContact CA-O 3.2Å
280	V	93.2	Very high	90	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	106.1	167.8	-176.7	0	0	0	0	108.2	P257 L259 L287 V292 Q311 A332	P257-V280 HydrophobicContact CB-CG1 4.05Å; L259-V280 HydrophobicContact CD2-CG2 4.03Å; L259-V280 HydrophobicContact CG-CG2 4.23Å; V280-L287 HydrophobicContact CB-CD1 4.26Å; V280-L287 HydrophobicContact CG1-CD1 3.96Å; V280-L287 HydrophobicContact CG2-CD1 3.92Å; V280-V292 HydrophobicContact CG2-CG2 4.32Å; V280-Q311 HydrophobicContact CB-CB 4.24Å; V280-Q311 PolarHBondContact N-O 2.86Å; V280-A332 HydrophobicContact CG2-CB 4.05Å
281	N	93.2	Very high	89.3	Confident	71 Å²	71	58.3 Å²	58.3	38%	0.38	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-38.5	-177.4	-78.7	-18	0	0	0	112.8	K258 E260 R279	K258-N281 PolarHBondContact O-N 3.25Å; E260-N281 WeakPolarHBondContact CB-ND2 3.12Å; E260-N281 PolarHBondContact OE2-ND2 2.92Å; R279-N281 WeakPolarHBondContact CD-OD1 3.28Å; R279-N281 PolarHBondContact NE-OD1 3.48Å; R279-N281 PolarHBondContact O-N 3.29Å
282	S	94.3	Very high	89.2	Confident	30 Å²	30	54 Å²	54	21%	0.21	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	147.8	177.8	-154.4	0	0	0	0	111.7	Y255 P257 K258	Y255-S282 PolarHBondContact OH-OG 3.15Å; P257-S282 CarbonylContact C-O 3.6Å; P257-S282 WeakPolarHBondContact CA-O 3.49Å; K258-S282 PolarHBondContact N-O 2.93Å; K258-S282 PolarHBondContact O-N 3.47Å
283	S	94.4	Very high	89.1	Confident	15 Å²	15	53.1 Å²	53.1	11%	0.105	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	132.8	176	-174.3	0	0	0	0	110.8	P285 N334	S283-P285 CarbonylContact C-O 3.49Å; S283-P285 PolarHBondContact OG-O 3.48Å; S283-N334 PolarHBondContact OG-ND2 3.31Å
284	N	96.3	Very high	89.2	Confident	18 Å²	18	50.6 Å²	50.6	10%	0.096	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	115.3	172	-175.6	26.8	0	0	0	111.2	H229 D252 V253 K254 Y255	H229-N284 PolarHBondContact CE1-ND2 2.82Å; H229-N284 PolarHBondContact ND1-ND2 2.84Å; D252-N284 PolarHBondContact OD1-ND2 3.18Å; V253-N284 PolarHBondContact O-ND2 3.49Å; K254-N284 WeakPolarHBondContact CA-O 3.37Å; K254-N284 PolarHBondContact NZ-OD1 3.32Å; Y255-N284 HydrophobicContact CD1-CB 3.99Å; Y255-N284 HydrophobicContact CE1-CB 3.44Å; Y255-N284 VanDerWaalsContact CE1-CB 3.44Å; Y255-N284 HydrophobicContact CE2-CB 4.48Å; Y255-N284 PolarHBondContact N-O 3.26Å
285	P	94.4	Very high	89.3	Confident	31 Å²	31	51.9 Å²	51.9	20%	0.201	27%	0.269	C	S	.	.	S	Bend	cis	-65.5	161.9	3.7	-22	36.2	0	0	0	113.5	K254 S283 N334 D335	K254-P285 HydrophobicContact CD-CG 4.3Å; S283-P285 CarbonylContact C-O 3.49Å; S283-P285 PolarHBondContact OG-O 3.48Å; P285-N334 PolarHBondContact O-ND2 2.66Å; P285-D335 HydrophobicContact CG-CB 4.26Å
286	K	90.2	Very high	89.3	Confident	177 Å²	177	51.1 Å²	51.1	77%	0.77	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-58.7	147	175.1	-66.8	-174.4	179.4	-177.5	0	110.3	R288	K286-R288 PolarHBondContact O-N 3.26Å
287	L	86.7	Confident	89.3	Confident	31 Å²	31	55.2 Å²	55.2	16%	0.162	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-58.5	132	173.3	-65.6	171.3	0	0	0	110.4	P257 V280 A332 S333 N334	P257-L287 HydrophobicContact CG-CD2 3.78Å; V280-L287 HydrophobicContact CB-CD1 4.26Å; V280-L287 HydrophobicContact CG1-CD1 3.96Å; V280-L287 HydrophobicContact CG2-CD1 3.92Å; L287-A332 HydrophobicContact CD2-CB 4.39Å; L287-S333 WeakPolarHBondContact CD2-O 3.46Å; L287-N334 HydrophobicContact CD2-CB 4.05Å
288	R	76.9	Confident	89.3	Confident	198 Å²	198	55.6 Å²	55.6	75%	0.747	30%	0.295	S	S	*	.	S	Bend	trans	-79.9	-32.3	174.3	-65.5	179.7	-176.5	-103.4	-2.4	111.8	K286 D335	K286-R288 PolarHBondContact O-N 3.26Å; R288-D335 IonicContact CZ-OD1 2.75Å; R288-D335 IonicContact CZ-OD2 3.97Å; R288-D335 IonicContact NE-OD1 3.39Å; R288-D335 PolarHBondContact NE-OD1 2.81Å; R288-D335 IonicContact NE-OD2 3.82Å; R288-D335 PolarHBondContact NE-OD2 3.28Å; R288-D335 VanDerWaalsContact NE-OD2 3.12Å; R288-D335 IonicContact NH2-OD1 2.91Å; R288-D335 IonicContact NH2-OD2 3.82Å; R288-D335 PolarHBondContact NH2-OD2 3.01Å
289	T	72.6	Confident	89.3	Confident	98 Å²	98	64.8 Å²	64.8	60%	0.601	33%	0.329	S	S	*	.	S	Bend	trans	-130.3	145.1	176.5	56.7	0	0	0	0	109.1	A291	T289-A291 PolarHBondContact O-N 2.87Å
290	V	67	Low	89.3	Confident	52 Å²	52	62.5 Å²	62.5	32%	0.315	33%	0.331	S	S	.	.			trans	-80.4	10.2	-178.6	-177.1	0	0	0	0	112	V292 Q308 Q310	V290-V292 PolarHBondContact O-N 3.48Å; V290-Q308 PolarHBondContact O-OE1 3.41Å; V290-Q310 WeakPolarHBondContact CG1-O 3.37Å; V290-Q310 WeakPolarHBondContact CG2-O 3.43Å
291	A	75.8	Confident	89.2	Confident	53 Å²	53	64.8 Å²	64.8	44%	0.438	34%	0.343	S	S	.	.			trans	-66.5	97.9	-173	0	0	0	0	0	110.9	T289	T289-A291 PolarHBondContact O-N 2.87Å
292	V	88.4	Confident	88.5	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.024	36%	0.358	C	S	.	.			trans	-91.7	122.9	167.9	176.8	0	0	0	0	107.6	C278 V280 V290 Q308 C330 Q331 A332	C278-V292 HydrophobicContact CB-CG1 4.11Å; V280-V292 HydrophobicContact CG2-CG2 4.32Å; V290-V292 PolarHBondContact O-N 3.48Å; V292-Q308 PolarHBondContact O-NE2 2.92Å; V292-C330 HydrophobicContact CG1-CB 3.78Å; V292-Q331 WeakPolarHBondContact CA-O 3.07Å; V292-A332 HydrophobicContact CG2-CB 4.44Å
293	S	90.8	Very high	87.1	Confident	60 Å²	60	75 Å²	75	42%	0.42	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.5	176.7	-59.8	0	0	0	0	110.3	C330 Q331	S293-C330 CarbonylContact O-C 3.58Å; S293-C330 VanDerWaalsContact O-CA 3.3Å; S293-C330 WeakPolarHBondContact O-CA 3.44Å; S293-Q331 PolarHBondContact N-O 3.34Å; S293-Q331 PolarHBondContact O-N 2.87Å
294	W	93.9	Very high	85.9	Confident	6 Å²	6	78 Å²	78	2%	0.023	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.6	177.8	-71.4	89.2	0	0	0	111.2	I261 M276 C278 L301 L306 S313 L315 C330	I261-W294 HydrophobicContact CD1-CH2 4.3Å; I261-W294 HydrophobicContact CD1-CZ3 3.62Å; I261-W294 HydrophobicContact CG1-CH2 4.32Å; I261-W294 HydrophobicContact CG1-CZ3 4.13Å; M276-W294 HydrophobicContact CB-CH2 3.51Å; M276-W294 HydrophobicContact CB-CZ2 4.41Å; M276-W294 HydrophobicContact CB-CZ3 3.66Å; M276-W294 HydrophobicContact SD-CZ3 4.25Å; C278-W294 HydrophobicContact CB-CH2 3.63Å; C278-W294 HydrophobicContact CB-CZ2 3.45Å; C278-W294 VanDerWaalsContact CB-CZ2 3.45Å; C278-W294 HydrophobicContact CB-CZ3 4.49Å; W294-L301 HydrophobicContact CB-CB 4.38Å; W294-L301 HydrophobicContact CB-CD1 4.06Å; W294-L301 PolarHBondContact O-N 3.33Å; W294-L306 VanDerWaalsContact CD1-CD2 3.44Å; W294-L306 HydrophobicContact CG-CD2 4.37Å; W294-S313 PolarHBondContact NE1-OG 3.12Å; W294-L315 HydrophobicContact CB-CD2 4.37Å; W294-L315 HydrophobicContact CD2-CB 3.87Å; W294-L315 HydrophobicContact CD2-CD2 4Å; W294-L315 HydrophobicContact CE3-CB 4.26Å; W294-L315 HydrophobicContact CE3-CD2 3.91Å; W294-L315 HydrophobicContact CG-CB 4.3Å; W294-L315 HydrophobicContact CG-CD2 4.22Å; W294-L315 HydrophobicContact CH2-CB 4.31Å; W294-L315 HydrophobicContact CZ2-CB 3.92Å; W294-L315 HydrophobicContact CZ3-CB 4.46Å; W294-L315 HydrophobicContact CZ3-CD2 4.48Å; W294-C330 HydrophobicContact CD2-CB 4.2Å; W294-C330 HydrophobicContact CE3-CB 4.15Å; W294-C330 HydrophobicContact CZ3-CB 4.34Å
295	F	95.3	Very high	84.8	Confident	28 Å²	28	82.2 Å²	82.2	12%	0.123	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.7	178.8	-65.9	-104	0	0	0	110.3	R299 P300 Y328 R329 Q331	F295-R299 CarbonylContact C-O 3.49Å; F295-R299 WeakPolarHBondContact CA-O 3.24Å; F295-P300 HydrophobicContact CD1-CB 4.21Å; F295-P300 HydrophobicContact CE1-CB 3.95Å; F295-P300 HydrophobicContact CZ-CB 4.48Å; F295-Y328 WeakPolarHBondContact O-CA 3.5Å; F295-R329 HydrophobicContact CB-CG 3.78Å; F295-R329 PolarHBondContact N-O 3.05Å; F295-R329 PolarHBondContact O-N 2.94Å; F295-Q331 HydrophobicContact CD2-CB 4.37Å; F295-Q331 HydrophobicContact CE2-CB 3.83Å
296	K	95.6	Very high	84.1	Confident	38 Å²	38	84.2 Å²	84.2	17%	0.165	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.5	170.7	179.5	-170.8	-177.7	-71.6	0	109.1	G298 R299 L301 D323 M324 R325 K327 Y328	K296-G298 PolarHBondContact O-N 2.72Å; K296-G298 VanDerWaalsContact O-N 3.16Å; K296-R299 PolarHBondContact N-O 3.02Å; K296-R299 PolarHBondContact O-N 3.25Å; K296-L301 HydrophobicContact CB-CD1 4.26Å; K296-L301 HydrophobicContact CB-CD2 3.79Å; K296-L301 HydrophobicContact CB-CG 4.12Å; K296-L301 HydrophobicContact CD-CD2 4.46Å; K296-D323 VanDerWaalsContact CE-O 3.28Å; K296-D323 WeakPolarHBondContact CE-O 3.21Å; K296-D323 PolarHBondContact NZ-O 2.99Å; K296-D323 VanDerWaalsContact NZ-O 3.07Å; K296-M324 VanDerWaalsContact CE-O 3.29Å; K296-M324 WeakPolarHBondContact CE-O 3.35Å; K296-R325 WeakPolarHBondContact CE-O 3.29Å; K296-R325 PolarHBondContact NZ-O 3.03Å; K296-K327 CarbonylContact C-O 3.56Å; K296-K327 WeakPolarHBondContact CA-O 3.24Å; K296-Y328 HydrophobicContact CB-CD1 4.21Å; K296-Y328 HydrophobicContact CB-CE1 3.95Å; K296-Y328 HydrophobicContact CD-CE1 4.18Å; K296-Y328 HydrophobicContact CD-CE2 4.38Å; K296-Y328 WeakPolarHBondContact CD-OH 3.19Å; K296-Y328 HydrophobicContact CG-CE1 4.04Å; K296-Y328 HydrophobicContact CG-CE2 4.12Å
297	D	95.3	Very high	83.5	Confident	85 Å²	85	79.5 Å²	79.5	46%	0.455	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	40.5	179.8	-53.6	-47.1	0	0	0	112.3	R299 G326 K327	D297-R299 VanDerWaalsContact C-N 3.28Å; D297-R299 PolarHBondContact O-N 2.79Å; D297-G326 WeakPolarHBondContact OD1-CA 3.27Å; D297-K327 PolarHBondContact N-O 3.12Å; D297-K327 PolarHBondContact OD1-N 2.79Å
298	G	93.1	Very high	83.1	Confident	46 Å²	46	82.1 Å²	82.1	47%	0.474	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	-1.6	-178.1	0	0	0	0	0	115.9	K296	K296-G298 PolarHBondContact O-N 2.72Å; K296-G298 VanDerWaalsContact O-N 3.16Å
299	R	94.4	Very high	82.9	Confident	193 Å²	193	79.1 Å²	79.1	73%	0.728	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.9	137.8	179.5	-60.6	-176.2	-177.6	-173.9	0.3	111.4	F295 K296 D297	F295-R299 CarbonylContact C-O 3.49Å; F295-R299 WeakPolarHBondContact CA-O 3.24Å; K296-R299 PolarHBondContact N-O 3.02Å; K296-R299 PolarHBondContact O-N 3.25Å; D297-R299 VanDerWaalsContact C-N 3.28Å; D297-R299 PolarHBondContact O-N 2.79Å
300	P	93.3	Very high	83	Confident	78 Å²	78	82.5 Å²	82.5	51%	0.506	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.9	176.3	27.9	-33.8	0	0	0	110.3	F295	F295-P300 HydrophobicContact CD1-CB 4.21Å; F295-P300 HydrophobicContact CE1-CB 3.95Å; F295-P300 HydrophobicContact CZ-CB 4.48Å
301	L	90.8	Very high	83.8	Confident	48 Å²	48	84.2 Å²	84.2	25%	0.251	43%	0.43	S	S	.	.			trans	-89.4	114.2	171.5	-67.3	175.2	0	0	0	109	W294 K296 Q304 L315 Y328	W294-L301 HydrophobicContact CB-CB 4.38Å; W294-L301 HydrophobicContact CB-CD1 4.06Å; W294-L301 PolarHBondContact O-N 3.33Å; K296-L301 HydrophobicContact CB-CD1 4.26Å; K296-L301 HydrophobicContact CB-CD2 3.79Å; K296-L301 HydrophobicContact CB-CG 4.12Å; K296-L301 HydrophobicContact CD-CD2 4.46Å; L301-Q304 HydrophobicContact CB-CG 4.24Å; L301-L315 HydrophobicContact CD1-CD2 3.69Å; L301-Y328 HydrophobicContact CD1-CD1 4.09Å; L301-Y328 HydrophobicContact CD1-CE1 3.83Å
302	E	79.4	Confident	84.3	Confident	152 Å²	152	84.6 Å²	84.6	71%	0.71	42%	0.424	S	S	*	.			trans	-96.1	151.1	171.3	-65.9	175.7	-179.1	0	0	109	Q304	E302-Q304 PolarHBondContact O-N 2.82Å
303	D	64.5	Low	84.5	Confident	165 Å²	165	84.4 Å²	84.4	88%	0.882	42%	0.423	S	S	*	.	S	Bend	trans	58.6	42.5	171.5	-53.8	-33.2	0	0	0	116.7
304	Q	68.8	Low	84.5	Confident	76 Å²	76	84.6 Å²	84.6	36%	0.355	42%	0.416	S	S	.	.			trans	-104.7	154.1	172.5	-66.7	-63.6	-44.8	0	0	112.3	L301 E302 L306 L315	L301-Q304 HydrophobicContact CB-CG 4.24Å; E302-Q304 PolarHBondContact O-N 2.82Å; Q304-L306 PolarHBondContact O-N 3.36Å; Q304-L315 HydrophobicContact CB-CD1 3.49Å; Q304-L315 VanDerWaalsContact CB-CD1 3.49Å; Q304-L315 HydrophobicContact CG-CD1 3.82Å
305	E	73.8	Confident	84.4	Confident	108 Å²	108	84.3 Å²	84.3	51%	0.505	42%	0.415	S	S	.	.			trans	-68.5	105.5	170.9	-170.4	172.4	-161.7	0	0	109	H318	E305-H318 IonicContact OE2-CD2 2.82Å; E305-H318 IonicContact OE2-CE1 2.68Å; E305-H318 IonicContact OE2-NE2 2.78Å; E305-H318 PolarHBondContact OE2-NE2 2.98Å
306	L	79.8	Confident	84.3	Confident	73 Å²	73	84.2 Å²	84.2	38%	0.382	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.1	-179.2	-64.8	177.9	0	0	0	110	W294 Q304 K314 L315	W294-L306 VanDerWaalsContact CD1-CD2 3.44Å; W294-L306 HydrophobicContact CG-CD2 4.37Å; Q304-L306 PolarHBondContact O-N 3.36Å; L306-K314 WeakPolarHBondContact CA-O 3.48Å; L306-L315 HydrophobicContact CD2-CB 4.16Å; L306-L315 HydrophobicContact CD2-CD1 4.05Å
307	E	77.8	Confident	84.1	Confident	78 Å²	78	82.6 Å²	82.6	36%	0.364	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.8	166.5	-62.6	179.8	177.5	0	0	108.6	S313 K314	E307-S313 CarbonylContact O-C 3.51Å; E307-S313 VanDerWaalsContact O-CA 3.31Å; E307-S313 WeakPolarHBondContact O-CA 3.17Å; E307-K314 HydrophobicContact CB-CB 4.25Å; E307-K314 PolarHBondContact N-O 3.01Å; E307-K314 VanDerWaalsContact N-O 3.12Å; E307-K314 PolarHBondContact O-N 2.82Å; E307-K314 IonicContact OE2-NZ 2.81Å; E307-K314 PolarHBondContact OE2-NZ 3.09Å
308	Q	76.9	Confident	83.9	Confident	85 Å²	85	83.1 Å²	83.1	40%	0.397	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.7	177.3	-65	-169.4	2.8	0	0	111.3	V290 V292	V290-Q308 PolarHBondContact O-OE1 3.41Å; V292-Q308 PolarHBondContact O-NE2 2.92Å
309	E	74	Confident	83.8	Confident	136 Å²	136	84.4 Å²	84.4	64%	0.636	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	114	176.5	-69.9	-174.5	173.3	0	0	110.1	Q311 M312	E309-Q311 PolarHBondContact O-N 3.04Å; E309-M312 PolarHBondContact N-O 3.4Å; E309-M312 PolarHBondContact O-N 2.91Å
310	Q	75.1	Confident	83.7	Confident	169 Å²	169	75.2 Å²	75.2	79%	0.79	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-79.3	173.6	-59.2	178.2	-1.9	0	0	117.2	V290	V290-Q310 WeakPolarHBondContact CG1-O 3.37Å; V290-Q310 WeakPolarHBondContact CG2-O 3.43Å
311	Q	82.3	Confident	83.6	Confident	88 Å²	88	73.8 Å²	73.8	41%	0.411	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	17.2	-178.8	-75	-174.7	-33.5	0	0	110.7	R279 V280 E309	R279-Q311 CarbonylContact C-O 3.59Å; R279-Q311 WeakPolarHBondContact CA-O 3.2Å; V280-Q311 HydrophobicContact CB-CB 4.24Å; V280-Q311 PolarHBondContact N-O 2.86Å; E309-Q311 PolarHBondContact O-N 3.04Å
312	M	87.6	Confident	83.6	Confident	61 Å²	61	77.1 Å²	77.1	30%	0.3	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	-176.1	-167.2	177	-61.2	0	0	109.6	T277 C278 E309	T277-M312 HydrophobicContact CG2-CG 3.58Å; T277-M312 HydrophobicContact CG2-SD 3.58Å; T277-M312 VanDerWaalsContact CG2-SD 3.58Å; C278-M312 CarbonylContact O-C 3.48Å; C278-M312 VanDerWaalsContact O-CA 3.29Å; C278-M312 WeakPolarHBondContact O-CA 3.44Å; E309-M312 PolarHBondContact N-O 3.4Å; E309-M312 PolarHBondContact O-N 2.91Å
313	S	91.3	Very high	84.1	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.9	172.9	178	0	0	0	0	108.4	C278 W294 E307	C278-S313 PolarHBondContact N-O 2.83Å; C278-S313 PolarHBondContact O-N 2.99Å; W294-S313 PolarHBondContact NE1-OG 3.12Å; E307-S313 CarbonylContact O-C 3.51Å; E307-S313 VanDerWaalsContact O-CA 3.31Å; E307-S313 WeakPolarHBondContact O-CA 3.17Å
314	K	92.4	Very high	85.4	Confident	63 Å²	63	71 Å²	71	27%	0.274	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.8	171.4	-56.7	-176.7	-153.2	142.1	0	110.1	T275 M276 T277 L306 E307	T275-K314 HydrophobicContact CG2-CD 4.47Å; M276-K314 CarbonylContact O-C 3.58Å; M276-K314 WeakPolarHBondContact O-CA 3.49Å; T277-K314 HydrophobicContact CG2-CG 4.27Å; L306-K314 WeakPolarHBondContact CA-O 3.48Å; E307-K314 HydrophobicContact CB-CB 4.25Å; E307-K314 PolarHBondContact N-O 3.01Å; E307-K314 VanDerWaalsContact N-O 3.12Å; E307-K314 PolarHBondContact O-N 2.82Å; E307-K314 IonicContact OE2-NZ 2.81Å; E307-K314 PolarHBondContact OE2-NZ 3.09Å
315	L	92	Very high	86.6	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.8	168.8	169.2	65.7	0	0	0	107.7	M276 W294 L301 Q304 L306 L317 Y328	M276-L315 HydrophobicContact CB-CB 4.29Å; M276-L315 PolarHBondContact N-O 3.46Å; M276-L315 PolarHBondContact O-N 3.15Å; M276-L315 HydrophobicContact SD-CD2 4.15Å; W294-L315 HydrophobicContact CB-CD2 4.37Å; W294-L315 HydrophobicContact CD2-CB 3.87Å; W294-L315 HydrophobicContact CD2-CD2 4Å; W294-L315 HydrophobicContact CE3-CB 4.26Å; W294-L315 HydrophobicContact CE3-CD2 3.91Å; W294-L315 HydrophobicContact CG-CB 4.3Å; W294-L315 HydrophobicContact CG-CD2 4.22Å; W294-L315 HydrophobicContact CH2-CB 4.31Å; W294-L315 HydrophobicContact CZ2-CB 3.92Å; W294-L315 HydrophobicContact CZ3-CB 4.46Å; W294-L315 HydrophobicContact CZ3-CD2 4.48Å; L301-L315 HydrophobicContact CD1-CD2 3.69Å; Q304-L315 HydrophobicContact CB-CD1 3.49Å; Q304-L315 VanDerWaalsContact CB-CD1 3.49Å; Q304-L315 HydrophobicContact CG-CD1 3.82Å; L306-L315 HydrophobicContact CD2-CB 4.16Å; L306-L315 HydrophobicContact CD2-CD1 4.05Å; L315-L317 HydrophobicContact CD1-CD2 4.05Å; L315-L317 HydrophobicContact CD2-CD2 4.28Å; L315-L317 HydrophobicContact CG-CD2 4.09Å; L315-L317 HydrophobicContact CG-CG 4.42Å; L315-Y328 HydrophobicContact CD2-CD1 4.14Å; L315-Y328 HydrophobicContact CD2-CE1 4.2Å
316	I	92.5	Very high	87.6	Confident	26 Å²	26	69.6 Å²	69.6	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	118.3	178	-53.5	173.7	0	0	0	108.3	T275 H318	T275-I316 HydrophobicContact CG2-CG1 4.44Å; I316-H318 WeakPolarHBondContact CG2-CE1 3.19Å
317	L	92	Very high	88.4	Confident	5 Å²	5	70.5 Å²	70.5	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.6	174	-56.7	179.7	0	0	0	108.2	S273 V274 M276 L315 V320 Y328 L346	S273-L317 CarbonylContact C-O 3.48Å; S273-L317 WeakPolarHBondContact CA-O 3.16Å; V274-L317 HydrophobicContact CB-CB 4.41Å; V274-L317 PolarHBondContact N-O 2.86Å; V274-L317 PolarHBondContact O-N 3.12Å; M276-L317 HydrophobicContact CE-CD1 3.84Å; L315-L317 HydrophobicContact CD1-CD2 4.05Å; L315-L317 HydrophobicContact CD2-CD2 4.28Å; L315-L317 HydrophobicContact CG-CD2 4.09Å; L315-L317 HydrophobicContact CG-CG 4.42Å; L317-V320 HydrophobicContact CB-CG2 3.96Å; L317-Y328 HydrophobicContact CD1-CE1 4.14Å; L317-L346 HydrophobicContact CD1-CD2 3.88Å
318	H	91.1	Very high	89.3	Confident	96 Å²	96	66.9 Å²	66.9	44%	0.444	32%	0.322	S	S	.	.			trans	-86.1	147.8	175.2	-58.2	-73.7	0	0	0	110.8	E305 I316 V320	E305-H318 IonicContact OE2-CD2 2.82Å; E305-H318 IonicContact OE2-CE1 2.68Å; E305-H318 IonicContact OE2-NE2 2.78Å; E305-H318 PolarHBondContact OE2-NE2 2.98Å; I316-H318 WeakPolarHBondContact CG2-CE1 3.19Å; H318-V320 PolarHBondContact O-N 3.28Å
319	S	90.9	Very high	90.3	Very high	72 Å²	72	65.1 Å²	65.1	50%	0.503	31%	0.312	S	S	.	.	S	Bend	trans	49.7	56.1	172.7	-59.7	0	0	0	0	113.4	N272 T321	N272-S319 PolarHBondContact O-N 3.47Å; S319-T321 PolarHBondContact O-N 2.85Å
320	V	91.8	Very high	91.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.281	C	S	.	.			trans	-57.9	135.2	-168.1	176.2	0	0	0	0	112.3	V268 K270 N271 N272 V274 L317 H318 M324 V348	V268-V320 HydrophobicContact CG1-CB 4.22Å; V268-V320 HydrophobicContact CG1-CG1 3.86Å; V268-V320 HydrophobicContact CG1-CG2 4.41Å; K270-V320 WeakPolarHBondContact CA-O 3.49Å; K270-V320 WeakPolarHBondContact CG-O 3Å; N271-V320 PolarHBondContact N-O 2.93Å; N272-V320 VanDerWaalsContact O-CG2 3.32Å; N272-V320 WeakPolarHBondContact O-CG2 3.42Å; N272-V320 PolarHBondContact O-N 3.49Å; V274-V320 HydrophobicContact CB-CG2 4.44Å; V274-V320 HydrophobicContact CG2-CG2 3.97Å; L317-V320 HydrophobicContact CB-CG2 3.96Å; H318-V320 PolarHBondContact O-N 3.28Å; V320-M324 HydrophobicContact CB-SD 4.35Å; V320-M324 HydrophobicContact CG1-CB 4.1Å; V320-M324 HydrophobicContact CG1-SD 4.25Å; V320-M324 HydrophobicContact CG2-SD 4.4Å; V320-V348 HydrophobicContact CG1-CB 4.34Å; V320-V348 HydrophobicContact CG1-CG1 3.91Å; V320-V348 HydrophobicContact CG1-CG2 3.43Å; V320-V348 VanDerWaalsContact CG1-CG2 3.43Å
321	T	91.9	Very high	92.2	Very high	48 Å²	48	52.4 Å²	52.4	29%	0.294	25%	0.252	S	S	.	.			trans	-111.7	166.6	176.6	72.4	0	0	0	0	111.7	S319 D323 M324	S319-T321 PolarHBondContact O-N 2.85Å; T321-D323 PolarHBondContact O-N 2.96Å; T321-M324 WeakPolarHBondContact O-CB 3.24Å; T321-M324 PolarHBondContact O-N 3.3Å; T321-M324 VanDerWaalsContact O-N 3.09Å
322	K	89.8	Confident	92.7	Very high	119 Å²	119	48.3 Å²	48.3	52%	0.517	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.7	-28.5	179.3	-169	176.4	-179.2	177.9	0	113.1	M324 R325	K322-M324 VanDerWaalsContact C-N 3.27Å; K322-M324 PolarHBondContact O-N 3.1Å; K322-R325 WeakPolarHBondContact O-CB 3.13Å; K322-R325 VanDerWaalsContact O-CD 3.25Å; K322-R325 WeakPolarHBondContact O-CD 3.46Å; K322-R325 WeakPolarHBondContact O-CG 3.46Å; K322-R325 PolarHBondContact O-N 3.11Å
323	D	90.6	Very high	92.9	Very high	135 Å²	135	48.5 Å²	48.5	72%	0.722	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-75.3	-19.2	179.7	-58.2	-54.8	0	0	0	112.8	K296 T321 R325	K296-D323 VanDerWaalsContact CE-O 3.28Å; K296-D323 WeakPolarHBondContact CE-O 3.21Å; K296-D323 PolarHBondContact NZ-O 2.99Å; K296-D323 VanDerWaalsContact NZ-O 3.07Å; T321-D323 PolarHBondContact O-N 2.96Å; D323-R325 PolarHBondContact O-N 2.97Å
324	M	91.8	Very high	93	Very high	53 Å²	53	49.2 Å²	49.2	26%	0.261	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-77.1	-8.5	173.3	-63	178.3	178.8	0	0	112.7	K296 V320 T321 K322 Y328	K296-M324 VanDerWaalsContact CE-O 3.29Å; K296-M324 WeakPolarHBondContact CE-O 3.35Å; V320-M324 HydrophobicContact CB-SD 4.35Å; V320-M324 HydrophobicContact CG1-CB 4.1Å; V320-M324 HydrophobicContact CG1-SD 4.25Å; V320-M324 HydrophobicContact CG2-SD 4.4Å; T321-M324 WeakPolarHBondContact O-CB 3.24Å; T321-M324 PolarHBondContact O-N 3.3Å; T321-M324 VanDerWaalsContact O-N 3.09Å; K322-M324 VanDerWaalsContact C-N 3.27Å; K322-M324 PolarHBondContact O-N 3.1Å; M324-Y328 WeakPolarHBondContact O-CE2 3.33Å; M324-Y328 PolarHBondContact O-OH 2.9Å
325	R	93.8	Very high	93	Very high	145 Å²	145	50.4 Å²	50.4	55%	0.547	25%	0.254	S	S	.	.			trans	-59.8	147.1	170.1	82	-171.1	178.3	165.3	2.8	110.7	K296 K322 D323 L346 V348	K296-R325 WeakPolarHBondContact CE-O 3.29Å; K296-R325 PolarHBondContact NZ-O 3.03Å; K322-R325 WeakPolarHBondContact O-CB 3.13Å; K322-R325 VanDerWaalsContact O-CD 3.25Å; K322-R325 WeakPolarHBondContact O-CD 3.46Å; K322-R325 WeakPolarHBondContact O-CG 3.46Å; K322-R325 PolarHBondContact O-N 3.11Å; D323-R325 PolarHBondContact O-N 2.97Å; R325-L346 WeakPolarHBondContact CA-O 3.41Å; R325-V348 HydrophobicContact CB-CG2 4.22Å
326	G	94.6	Very high	93.2	Very high	9 Å²	9	52.5 Å²	52.5	9%	0.093	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.8	-172.3	175.5	0	0	0	0	0	112.8	D297 Y328 E345 L346	D297-G326 WeakPolarHBondContact OD1-CA 3.27Å; G326-Y328 WeakPolarHBondContact O-CD2 3.4Å; G326-E345 WeakPolarHBondContact O-CA 3.38Å; G326-L346 PolarHBondContact N-O 3.24Å; G326-L346 PolarHBondContact O-N 3.19Å
327	K	97.2	Very high	93.2	Very high	92 Å²	92	52 Å²	52	40%	0.4	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.5	-179.1	-63.3	-169.3	-177.6	-177.4	0	110.9	K296 D297 E343 E345	K296-K327 CarbonylContact C-O 3.56Å; K296-K327 WeakPolarHBondContact CA-O 3.24Å; D297-K327 PolarHBondContact N-O 3.12Å; D297-K327 PolarHBondContact OD1-N 2.79Å; K327-E343 HydrophobicContact CB-CB 4.36Å; K327-E343 HydrophobicContact CD-CB 4.37Å; K327-E343 WeakPolarHBondContact CD-OE2 3.38Å; K327-E343 IonicContact NZ-OE2 3.61Å; K327-E345 HydrophobicContact CG-CB 4.41Å
328	Y	96.4	Very high	93.3	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.012	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.4	179.3	-70.2	-101.1	0	0	0	110.5	M276 F295 K296 L301 L315 L317 M324 G326 E343 V344 L346	M276-Y328 HydrophobicContact CE-CD1 3.88Å; M276-Y328 HydrophobicContact CE-CD2 3.62Å; M276-Y328 HydrophobicContact CE-CE1 4.04Å; M276-Y328 HydrophobicContact CE-CE2 3.82Å; M276-Y328 HydrophobicContact CE-CG 3.65Å; M276-Y328 HydrophobicContact SD-CD1 3.58Å; M276-Y328 VanDerWaalsContact SD-CD1 3.58Å; M276-Y328 HydrophobicContact SD-CD2 4.16Å; M276-Y328 HydrophobicContact SD-CE1 4.19Å; M276-Y328 HydrophobicContact SD-CG 3.54Å; M276-Y328 VanDerWaalsContact SD-CG 3.54Å; F295-Y328 WeakPolarHBondContact O-CA 3.5Å; K296-Y328 HydrophobicContact CB-CD1 4.21Å; K296-Y328 HydrophobicContact CB-CE1 3.95Å; K296-Y328 HydrophobicContact CD-CE1 4.18Å; K296-Y328 HydrophobicContact CD-CE2 4.38Å; K296-Y328 WeakPolarHBondContact CD-OH 3.19Å; K296-Y328 HydrophobicContact CG-CE1 4.04Å; K296-Y328 HydrophobicContact CG-CE2 4.12Å; L301-Y328 HydrophobicContact CD1-CD1 4.09Å; L301-Y328 HydrophobicContact CD1-CE1 3.83Å; L315-Y328 HydrophobicContact CD2-CD1 4.14Å; L315-Y328 HydrophobicContact CD2-CE1 4.2Å; L317-Y328 HydrophobicContact CD1-CE1 4.14Å; M324-Y328 WeakPolarHBondContact O-CE2 3.33Å; M324-Y328 PolarHBondContact O-OH 2.9Å; G326-Y328 WeakPolarHBondContact O-CD2 3.4Å; Y328-E343 WeakPolarHBondContact O-CA 3.49Å; Y328-V344 PolarHBondContact N-O 2.95Å; Y328-V344 PolarHBondContact O-N 2.96Å; Y328-L346 HydrophobicContact CD2-CB 4.06Å; Y328-L346 HydrophobicContact CE2-CB 3.85Å; Y328-L346 HydrophobicContact CE2-CD2 4.06Å
329	R	96.6	Very high	93.5	Very high	47 Å²	47	51.1 Å²	51.1	18%	0.177	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	157.3	172.8	66.5	-175.1	-162.5	150.6	18.6	110	F295 E340 E343	F295-R329 HydrophobicContact CB-CG 3.78Å; F295-R329 PolarHBondContact N-O 3.05Å; F295-R329 PolarHBondContact O-N 2.94Å; R329-E340 IonicContact CZ-OE1 3.85Å; R329-E340 IonicContact CZ-OE2 3.39Å; R329-E340 VanDerWaalsContact NH1-CD 3.29Å; R329-E340 IonicContact NH1-OE1 3.91Å; R329-E340 PolarHBondContact NH1-OE1 3.48Å; R329-E340 IonicContact NH1-OE2 2.78Å; R329-E340 PolarHBondContact NH1-OE2 2.99Å; R329-E340 IonicContact NH2-OE1 2.92Å; R329-E340 PolarHBondContact NH2-OE1 2.87Å; R329-E340 IonicContact NH2-OE2 3.12Å; R329-E343 HydrophobicContact CB-CG 4.27Å
330	C	94.6	Very high	93.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	155.5	174.1	59.8	0	0	0	0	111.5	C278 V292 S293 W294 E340 S341	C278-C330 HydrophobicContact CB-CB 3.51Å; C278-C330 WeakPolarHBondContact CB-SG 3.37Å; C278-C330 WeakPolarHBondContact SG-CB 3.42Å; C278-C330 CovalentContact SG-SG 2.01Å; C278-C330 PolarHBondContact SG-SG 3.04Å; V292-C330 HydrophobicContact CG1-CB 3.78Å; S293-C330 CarbonylContact O-C 3.58Å; S293-C330 VanDerWaalsContact O-CA 3.3Å; S293-C330 WeakPolarHBondContact O-CA 3.44Å; W294-C330 HydrophobicContact CD2-CB 4.2Å; W294-C330 HydrophobicContact CE3-CB 4.15Å; W294-C330 HydrophobicContact CZ3-CB 4.34Å; C330-E340 WeakPolarHBondContact O-CA 3.43Å; C330-S341 PolarHBondContact N-OG 3.33Å; C330-S341 PolarHBondContact O-N 3.25Å; C330-S341 VanDerWaalsContact SG-CB 3.55Å; C330-S341 PolarHBondContact SG-OG 3.15Å; C330-S341 VanDerWaalsContact SG-OG 3.4Å
331	Q	94.3	Very high	93.9	Very high	38 Å²	38	52.5 Å²	52.5	18%	0.178	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142	-177.1	-173.3	-178.2	44	0	0	110.2	V292 S293 F295 P338 G339 E340	V292-Q331 WeakPolarHBondContact CA-O 3.07Å; S293-Q331 PolarHBondContact N-O 3.34Å; S293-Q331 PolarHBondContact O-N 2.87Å; F295-Q331 HydrophobicContact CD2-CB 4.37Å; F295-Q331 HydrophobicContact CE2-CB 3.83Å; Q331-P338 HydrophobicContact CG-CB 4.14Å; Q331-P338 VanDerWaalsContact NE2-CB 3.32Å; Q331-G339 VanDerWaalsContact CA-O 3.29Å; Q331-G339 WeakPolarHBondContact CA-O 3.29Å; Q331-G339 VanDerWaalsContact CG-O 3.29Å; Q331-G339 WeakPolarHBondContact CG-O 3.22Å; Q331-E340 HydrophobicContact CB-CG 4.36Å; Q331-E340 HydrophobicContact CG-CG 4Å; Q331-E340 PolarHBondContact NE2-OE1 3.5Å
332	A	92.8	Very high	94.1	Very high	2 Å²	2	57.8 Å²	57.8	2%	0.017	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.6	168.7	0	0	0	0	0	109.8	P257 L259 V280 L287 V292 G339	P257-A332 HydrophobicContact CB-CB 4.25Å; P257-A332 HydrophobicContact CG-CB 4.36Å; P257-A332 WeakPolarHBondContact CG-O 3.27Å; L259-A332 HydrophobicContact CD2-CB 3.82Å; V280-A332 HydrophobicContact CG2-CB 4.05Å; L287-A332 HydrophobicContact CD2-CB 4.39Å; V292-A332 HydrophobicContact CG2-CB 4.44Å; A332-G339 PolarHBondContact N-O 3.2Å; A332-G339 PolarHBondContact O-N 2.82Å
333	S	92	Very high	94.4	Very high	65 Å²	65	56.5 Å²	56.5	46%	0.455	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.3	-175.5	-61.8	0	0	0	0	111.6	L287 G337 P338	L287-S333 WeakPolarHBondContact CD2-O 3.46Å; S333-G337 WeakPolarHBondContact CA-O 3.38Å; S333-P338 WeakPolarHBondContact OG-CA 3.35Å
334	N	93.4	Very high	94.7	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-173.9	166.6	71.6	-1.6	0	0	0	110.6	Y255 P257 S283 P285 L287 I336 G337	Y255-N334 PolarHBondContact O-ND2 3.16Å; P257-N334 HydrophobicContact CG-CB 4.16Å; S283-N334 PolarHBondContact OG-ND2 3.31Å; P285-N334 PolarHBondContact O-ND2 2.66Å; L287-N334 HydrophobicContact CD2-CB 4.05Å; N334-I336 PolarHBondContact O-N 3.32Å; N334-I336 VanDerWaalsContact OD1-CB 3.31Å; N334-I336 WeakPolarHBondContact OD1-CB 3.38Å; N334-I336 PolarHBondContact OD1-N 2.79Å; N334-G337 PolarHBondContact N-O 2.72Å; N334-G337 VanDerWaalsContact N-O 3.14Å; N334-G337 PolarHBondContact O-N 2.8Å; N334-G337 PolarHBondContact OD1-N 3.44Å; N334-G337 PolarHBondContact OD1-O 3.24Å
335	D	93.3	Very high	95	Very high	89 Å²	89	54.9 Å²	54.9	48%	0.476	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.3	-180	-65.6	-6.2	0	0	0	113.6	P285 R288	P285-D335 HydrophobicContact CG-CB 4.26Å; R288-D335 IonicContact CZ-OD1 2.75Å; R288-D335 IonicContact CZ-OD2 3.97Å; R288-D335 IonicContact NE-OD1 3.39Å; R288-D335 PolarHBondContact NE-OD1 2.81Å; R288-D335 IonicContact NE-OD2 3.82Å; R288-D335 PolarHBondContact NE-OD2 3.28Å; R288-D335 VanDerWaalsContact NE-OD2 3.12Å; R288-D335 IonicContact NH2-OD1 2.91Å; R288-D335 IonicContact NH2-OD2 3.82Å; R288-D335 PolarHBondContact NH2-OD2 3.01Å
336	I	95	Very high	95	Very high	43 Å²	43	48 Å²	48	22%	0.221	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-36.6	175.3	-53.7	-55.2	0	0	0	111.5	K254 T256 N334	K254-I336 HydrophobicContact CB-CD1 3.68Å; K254-I336 HydrophobicContact CB-CG1 3.99Å; K254-I336 HydrophobicContact CG-CD1 4.25Å; T256-I336 HydrophobicContact CG2-CB 4.4Å; T256-I336 HydrophobicContact CG2-CG2 4.06Å; N334-I336 PolarHBondContact O-N 3.32Å; N334-I336 VanDerWaalsContact OD1-CB 3.31Å; N334-I336 WeakPolarHBondContact OD1-CB 3.38Å; N334-I336 PolarHBondContact OD1-N 2.79Å
337	G	93.6	Very high	95	Very high	17 Å²	17	49.6 Å²	49.6	18%	0.175	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.3	-172.9	179.9	0	0	0	0	0	113.4	P257 S333 N334	P257-G337 WeakPolarHBondContact CD-O 3.46Å; S333-G337 WeakPolarHBondContact CA-O 3.38Å; N334-G337 PolarHBondContact N-O 2.72Å; N334-G337 VanDerWaalsContact N-O 3.14Å; N334-G337 PolarHBondContact O-N 2.8Å; N334-G337 PolarHBondContact OD1-N 3.44Å; N334-G337 PolarHBondContact OD1-O 3.24Å
338	P	93.6	Very high	94.8	Very high	76 Å²	76	46.4 Å²	46.4	49%	0.494	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	141.6	177.2	29.9	-32.9	0	0	0	111.9	T256 Q331 S333	T256-P338 WeakPolarHBondContact CB-O 3.4Å; T256-P338 WeakPolarHBondContact CG2-O 3.18Å; Q331-P338 HydrophobicContact CG-CB 4.14Å; Q331-P338 VanDerWaalsContact NE2-CB 3.32Å; S333-P338 WeakPolarHBondContact OG-CA 3.35Å
339	G	94.6	Very high	94.4	Very high	5 Å²	5	50.4 Å²	50.4	5%	0.052	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.4	163.8	0	0	0	0	0	109.7	P257 L259 Q331 A332	P257-G339 WeakPolarHBondContact O-CA 3.35Å; L259-G339 WeakPolarHBondContact CD1-O 3.3Å; Q331-G339 VanDerWaalsContact CA-O 3.29Å; Q331-G339 WeakPolarHBondContact CA-O 3.29Å; Q331-G339 VanDerWaalsContact CG-O 3.29Å; Q331-G339 WeakPolarHBondContact CG-O 3.22Å; A332-G339 PolarHBondContact N-O 3.2Å; A332-G339 PolarHBondContact O-N 2.82Å
340	E	95.5	Very high	93.4	Very high	91 Å²	91	52 Å²	52	43%	0.425	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.9	-177.6	-61.7	-177.3	160.1	0	0	109.9	R329 C330 Q331	R329-E340 IonicContact CZ-OE1 3.85Å; R329-E340 IonicContact CZ-OE2 3.39Å; R329-E340 VanDerWaalsContact NH1-CD 3.29Å; R329-E340 IonicContact NH1-OE1 3.91Å; R329-E340 PolarHBondContact NH1-OE1 3.48Å; R329-E340 IonicContact NH1-OE2 2.78Å; R329-E340 PolarHBondContact NH1-OE2 2.99Å; R329-E340 IonicContact NH2-OE1 2.92Å; R329-E340 PolarHBondContact NH2-OE1 2.87Å; R329-E340 IonicContact NH2-OE2 3.12Å; C330-E340 WeakPolarHBondContact O-CA 3.43Å; Q331-E340 HydrophobicContact CB-CG 4.36Å; Q331-E340 HydrophobicContact CG-CG 4Å; Q331-E340 PolarHBondContact NE2-OE1 3.5Å
341	S	96.9	Very high	92	Very high	10 Å²	10	58.6 Å²	58.6	7%	0.07	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-77.6	168.8	165.9	71.5	0	0	0	0	111	C330	C330-S341 PolarHBondContact N-OG 3.33Å; C330-S341 PolarHBondContact O-N 3.25Å; C330-S341 VanDerWaalsContact SG-CB 3.55Å; C330-S341 PolarHBondContact SG-OG 3.15Å; C330-S341 VanDerWaalsContact SG-OG 3.4Å
342	E	96.4	Very high	90.2	Very high	159 Å²	159	66.3 Å²	66.3	74%	0.743	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-58.2	161.8	160.7	-61.4	-58.9	139.2	0	0	111.3	I261	I261-E342 WeakPolarHBondContact CG2-O 3.4Å
343	E	96.5	Very high	88.4	Confident	92 Å²	92	75.4 Å²	75.4	43%	0.43	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-88	134.2	172.9	-65.8	-170.2	147.9	0	0	110.9	K327 Y328 R329	K327-E343 HydrophobicContact CB-CB 4.36Å; K327-E343 HydrophobicContact CD-CB 4.37Å; K327-E343 WeakPolarHBondContact CD-OE2 3.38Å; K327-E343 IonicContact NZ-OE2 3.61Å; Y328-E343 WeakPolarHBondContact O-CA 3.49Å; R329-E343 HydrophobicContact CB-CG 4.27Å
344	V	96.6	Very high	88.2	Confident	33 Å²	33	76 Å²	76	20%	0.2	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.1	172.4	-177.8	0	0	0	0	109.4	I261 V263 T266 Y328	I261-V344 HydrophobicContact CD1-CG2 4.46Å; I261-V344 HydrophobicContact CG1-CG2 4.42Å; I261-V344 HydrophobicContact CG2-CG2 3.57Å; V263-V344 HydrophobicContact CB-CG1 3.88Å; V263-V344 HydrophobicContact CG2-CB 3.79Å; V263-V344 HydrophobicContact CG2-CG1 3.51Å; V263-V344 HydrophobicContact CG2-CG2 4.38Å; T266-V344 HydrophobicContact CG2-CG1 4.07Å; Y328-V344 PolarHBondContact N-O 2.95Å; Y328-V344 PolarHBondContact O-N 2.96Å
345	E	96.4	Very high	87.9	Confident	121 Å²	121	79.2 Å²	79.2	57%	0.565	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	126.8	179	-172.4	167.5	-170.4	0	0	110.9	G326 K327 T347	G326-E345 WeakPolarHBondContact O-CA 3.38Å; K327-E345 HydrophobicContact CG-CB 4.41Å; E345-T347 HydrophobicContact CG-CG2 4.49Å
346	L	95.5	Very high	87.6	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.005	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	169.6	175.3	65.2	0	0	0	109.4	V268 V274 M276 L317 R325 G326 Y328 V348	V268-L346 HydrophobicContact CG1-CD1 3.94Å; V274-L346 HydrophobicContact CG1-CD1 4.19Å; V274-L346 HydrophobicContact CG2-CD1 3.84Å; V274-L346 HydrophobicContact CG2-CD2 4.39Å; M276-L346 HydrophobicContact CE-CB 4.15Å; M276-L346 HydrophobicContact CE-CD2 3.84Å; M276-L346 HydrophobicContact CE-CG 4.44Å; L317-L346 HydrophobicContact CD1-CD2 3.88Å; R325-L346 WeakPolarHBondContact CA-O 3.41Å; G326-L346 PolarHBondContact N-O 3.24Å; G326-L346 PolarHBondContact O-N 3.19Å; Y328-L346 HydrophobicContact CD2-CB 4.06Å; Y328-L346 HydrophobicContact CE2-CB 3.85Å; Y328-L346 HydrophobicContact CE2-CD2 4.06Å; L346-V348 HydrophobicContact CG-CG2 4.38Å
347	T	94.3	Very high	87.2	Confident	42 Å²	42	80.7 Å²	80.7	26%	0.258	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.7	172.9	62.9	0	0	0	0	110.7	T266 E267 V268 E345	T266-T347 PolarHBondContact O-N 3.18Å; T266-T347 PolarHBondContact O-OG1 2.92Å; E267-T347 WeakPolarHBondContact CA-OG1 3.32Å; E267-T347 WeakPolarHBondContact CB-OG1 3.27Å; E267-T347 WeakPolarHBondContact CG-OG1 3.47Å; V268-T347 PolarHBondContact N-O 3.19Å; E345-T347 HydrophobicContact CG-CG2 4.49Å
348	V	91.9	Very high	86.8	Confident	25 Å²	25	84.7 Å²	84.7	15%	0.152	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.7	-178.6	-173	0	0	0	0	109.5	V268 V320 R325 L346	V268-V348 HydrophobicContact CG1-CG1 4.49Å; V268-V348 HydrophobicContact CG1-CG2 4.04Å; V268-V348 CarbonylContact O-C 3.57Å; V268-V348 VanDerWaalsContact O-CA 3.24Å; V268-V348 WeakPolarHBondContact O-CA 3.47Å; V320-V348 HydrophobicContact CG1-CB 4.34Å; V320-V348 HydrophobicContact CG1-CG1 3.91Å; V320-V348 HydrophobicContact CG1-CG2 3.43Å; V320-V348 VanDerWaalsContact CG1-CG2 3.43Å; R325-V348 HydrophobicContact CB-CG2 4.22Å; L346-V348 HydrophobicContact CG-CG2 4.38Å
349	H	88.1	Confident	86.3	Confident	88 Å²	88	85.3 Å²	85.3	41%	0.407	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.1	177.8	-59.7	-75.5	0	0	0	110.8	V268 E269 K270	V268-H349 PolarHBondContact O-N 2.87Å; E269-H349 CarbonylContact C-O 3.59Å; E269-H349 WeakPolarHBondContact CA-O 3.29Å; K270-H349 PolarHBondContact N-O 2.82Å
350	C	76.4	Confident	85.7	Confident	81 Å²	81	91 Å²	91	55%	0.547	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-81.2	142.3	165.3	-62.8	0	0	0	0	108.2	F352	C350-F352 PolarHBondContact O-N 3.47Å
351	E	64.5	Low	85	Confident	137 Å²	137	91 Å²	91	64%	0.64	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-55.5	125	160.3	-77.4	176.6	145	0	0	108.1
352	F	57.3	Low	84	Confident	200 Å²	200	97.8 Å²	97.8	88%	0.877	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-75.5	127.6	167	-81	-87	0	0	0	107.7	C350	C350-F352 PolarHBondContact O-N 3.47Å
353	P	53.5	Low	82.8	Confident	194 Å²	194	92.2 Å²	92.2	100%	1.26	49%	0.486	S	S	*	.			trans	-67.7	0	-179.1	28	-34.6	0	0	0	113.7

Retrieved 353 of 353 residues in 572.2 ms (Link to these results)

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