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Cleavage and polyadenylation specificity factor subunit 5

Component of the cleavage factor Im (CFIm) complex that functions as an activator of the pre-mRNA 3'-end cleavage and polyadenylation processing required for the maturation of pre-mRNA into functional mRNAs. CFIm contributes to the recruitment of multiprotein complexes on specific sequences on the pre-mRNA 3'-end, so called cleavage and polyadenylation signals (pA signals). Most pre-mRNAs contain multiple pA signals, resulting in alternative cleavage and polyadenylation (APA) producing mRNAs with variable 3'-end formation. The CFIm complex acts as a key regulator of cleavage and polyadenylation site choice during APA through its binding to 5'-UGUA-3' elements localized in the 3'-untranslated region (UTR) for a huge number of pre-mRNAs.

AlphaFold DB , UniProt , Accession A0A077YWI5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	39.4	Very low	238 Å²	238	142.1 Å²	142.1	100%	1.172	81%	0.812	S	S	*	*				0	98	0	-159.8	179.2	-81.8	0	0	106	V3	M1-V3 PolarHBondContact O-N 2.98Å
2	Q	33.3	Very low	40.5	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	81%	0.808	S	S	*	*			trans	-84.5	110	-169.1	-137.2	170	4.2	0	0	107.8	L4	Q2-L4 PolarHBondContact O-N 3.37Å; Q2-L4 VanDerWaalsContact O-N 3.13Å
3	V	32.8	Very low	41.6	Very low	140 Å²	140	131.2 Å²	131.2	85%	0.848	78%	0.778	S	S	*	*			trans	-80.1	93.8	177.1	-172.5	0	0	0	0	107.4	M1	M1-V3 PolarHBondContact O-N 2.98Å
4	L	32.7	Very low	42.3	Very low	163 Å²	163	130.2 Å²	130.2	85%	0.853	78%	0.777	S	S	*	*			trans	-82.1	107.3	166.6	-85.1	152.2	0	0	0	107.6	Q2	Q2-L4 PolarHBondContact O-N 3.37Å; Q2-L4 VanDerWaalsContact O-N 3.13Å
5	G	33.6	Very low	43.3	Very low	70 Å²	70	129.4 Å²	129.4	72%	0.722	77%	0.766	S	S	*	*			trans	164.9	53.8	178.1	0	0	0	0	0	114.5
6	C	36.7	Very low	44	Very low	114 Å²	114	127.2 Å²	127.2	77%	0.77	75%	0.749	S	S	*	*			trans	-149.6	105	156.1	-141.9	0	0	0	0	107.4	Q8	C6-Q8 VanDerWaalsContact C-N 3.25Å; C6-Q8 PolarHBondContact O-N 3.26Å
7	S	40.6	Very low	44.8	Very low	111 Å²	111	123.9 Å²	123.9	78%	0.776	74%	0.74	S	S	*	*			trans	-68.8	87.4	172.8	173.3	0	0	0	0	108.1	V9	S7-V9 VanDerWaalsContact C-N 3.32Å; S7-V9 PolarHBondContact O-N 2.75Å; S7-V9 VanDerWaalsContact O-N 3.12Å
8	Q	40.9	Very low	45.2	Very low	173 Å²	173	126.1 Å²	126.1	81%	0.808	74%	0.738	S	S	*	*			trans	-76.7	88	165.8	-69.1	-169.2	-11.5	0	0	107.6	C6 P10	C6-Q8 VanDerWaalsContact C-N 3.25Å; C6-Q8 PolarHBondContact O-N 3.26Å; Q8-P10 VanDerWaalsContact O-CD 3.28Å; Q8-P10 WeakPolarHBondContact O-CD 3.44Å
9	V	52	Low	45.6	Very low	99 Å²	99	127.8 Å²	127.8	60%	0.6	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-70.4	118.8	163.6	-176.4	0	0	0	0	106.4	S7 T13	S7-V9 VanDerWaalsContact C-N 3.32Å; S7-V9 PolarHBondContact O-N 2.75Å; S7-V9 VanDerWaalsContact O-N 3.12Å; V9-T13 HydrophobicContact CG1-CG2 4.36Å; V9-T13 WeakPolarHBondContact CG1-OG1 3.46Å
10	P	43.1	Very low	46	Very low	93 Å²	93	125.6 Å²	125.6	60%	0.604	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-59.2	142.1	179.8	-22	32.6	0	0	0	111.3	Q8 G12 T13	Q8-P10 VanDerWaalsContact O-CD 3.28Å; Q8-P10 WeakPolarHBondContact O-CD 3.44Å; P10-G12 PolarHBondContact O-N 3.41Å; P10-T13 WeakPolarHBondContact CD-OG1 3.31Å; P10-T13 PolarHBondContact O-N 3.3Å; P10-T13 PolarHBondContact O-OG1 3.46Å
11	I	49.7	Very low	46.4	Very low	180 Å²	180	123.5 Å²	123.5	92%	0.923	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	122.2	172.2	-63.8	169.9	0	0	0	108.3
12	G	53.1	Low	47.3	Very low	75 Å²	75	114.6 Å²	114.6	77%	0.773	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.6	4	-179.7	0	0	0	0	0	116	P10	P10-G12 PolarHBondContact O-N 3.41Å
13	T	54.3	Low	48.8	Very low	68 Å²	68	112.9 Å²	112.9	42%	0.417	67%	0.674	S	S	.	*			trans	-70.9	123.9	172.5	-37.6	0	0	0	0	109.5	V9 P10 I15	V9-T13 HydrophobicContact CG1-CG2 4.36Å; V9-T13 WeakPolarHBondContact CG1-OG1 3.46Å; P10-T13 WeakPolarHBondContact CD-OG1 3.31Å; P10-T13 PolarHBondContact O-N 3.3Å; P10-T13 PolarHBondContact O-OG1 3.46Å; T13-I15 PolarHBondContact O-N 2.91Å
14	P	52.3	Low	50.8	Low	117 Å²	117	108 Å²	108	76%	0.76	65%	0.646	S	S	*	*			trans	-60.6	124.2	178.3	19.7	-27.5	0	0	0	109.7	D16	P14-D16 PolarHBondContact O-N 2.87Å
15	I	57	Low	52.9	Low	118 Å²	118	106.6 Å²	106.6	61%	0.605	64%	0.639	S	S	*	*			trans	-64.5	108	178.2	-58	174.3	0	0	0	107.1	T13 A17 L20	T13-I15 PolarHBondContact O-N 2.91Å; I15-A17 PolarHBondContact O-N 3.17Å; I15-A17 VanDerWaalsContact O-N 3.17Å; I15-L20 HydrophobicContact CG2-CD1 4.22Å; I15-L20 HydrophobicContact CG2-CG 4.22Å
16	D	54.2	Low	55.1	Low	94 Å²	94	108.5 Å²	108.5	50%	0.503	64%	0.636	S	S	.	*			trans	-63.6	117.9	175.6	-167.3	-8.7	0	0	0	107.8	P14 K18 Y19	P14-D16 PolarHBondContact O-N 2.87Å; D16-K18 PolarHBondContact O-N 3.04Å; D16-Y19 HydrophobicContact CB-CD2 3.88Å; D16-Y19 HydrophobicContact CB-CE2 4.04Å; D16-Y19 PolarHBondContact O-N 3.31Å
17	A	58.3	Low	57.1	Low	72 Å²	72	108.4 Å²	108.4	60%	0.595	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-57	-16.9	-169.7	0	0	0	0	0	113.5	I15 Y19 L20	I15-A17 PolarHBondContact O-N 3.17Å; I15-A17 VanDerWaalsContact O-N 3.17Å; A17-Y19 VanDerWaalsContact C-N 3.32Å; A17-Y19 PolarHBondContact O-N 3.28Å; A17-L20 PolarHBondContact O-N 3.1Å
18	K	51.9	Low	59.1	Low	162 Å²	162	108.3 Å²	108.3	70%	0.704	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-63	-32.3	172.4	-73.3	-178.9	177.6	176.4	0	113.6	D16 L20 S21	D16-K18 PolarHBondContact O-N 3.04Å; K18-L20 VanDerWaalsContact C-N 3.26Å; K18-L20 PolarHBondContact O-N 2.95Å; K18-S21 PolarHBondContact O-N 3.29Å; K18-S21 PolarHBondContact O-OG 3.42Å
19	Y	51.8	Low	61.5	Low	159 Å²	159	103.2 Å²	103.2	62%	0.624	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-73.6	-17.4	177.8	-68.3	-78.1	0	0	0	113.3	D16 A17 S21	D16-Y19 HydrophobicContact CB-CD2 3.88Å; D16-Y19 HydrophobicContact CB-CE2 4.04Å; D16-Y19 PolarHBondContact O-N 3.31Å; A17-Y19 VanDerWaalsContact C-N 3.32Å; A17-Y19 PolarHBondContact O-N 3.28Å; Y19-S21 PolarHBondContact O-N 3.37Å
20	L	54.6	Low	63.4	Low	84 Å²	84	100.4 Å²	100.4	44%	0.44	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-78.7	-3.7	174.3	-69	163.4	0	0	0	112.6	I15 A17 K18 I219	I15-L20 HydrophobicContact CG2-CD1 4.22Å; I15-L20 HydrophobicContact CG2-CG 4.22Å; A17-L20 PolarHBondContact O-N 3.1Å; K18-L20 VanDerWaalsContact C-N 3.26Å; K18-L20 PolarHBondContact O-N 2.95Å; L20-I219 HydrophobicContact CD2-CD1 3.77Å
21	S	54.4	Low	65.9	Low	82 Å²	82	96.1 Å²	96.1	57%	0.573	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-105.4	29.8	-173.4	74.4	0	0	0	0	114.6	K18 Y19 T23	K18-S21 PolarHBondContact O-N 3.29Å; K18-S21 PolarHBondContact O-OG 3.42Å; Y19-S21 PolarHBondContact O-N 3.37Å; S21-T23 PolarHBondContact O-N 2.83Å
22	S	55.7	Low	68.1	Low	50 Å²	50	90.3 Å²	90.3	35%	0.35	51%	0.514	S	S	.	.			trans	-56.7	113.6	169.4	177.1	0	0	0	0	109.2	S24 L27	S22-S24 PolarHBondContact O-N 3.2Å; S22-S24 PolarHBondContact OG-N 2.71Å; S22-S24 PolarHBondContact OG-O 3.18Å; S22-L27 PolarHBondContact OG-O 3Å
23	T	65.3	Low	70.3	Confident	147 Å²	147	86.8 Å²	86.8	90%	0.902	48%	0.477	S	S	*	.			trans	-74.8	-9.2	176.3	51.5	0	0	0	0	112.3	S21	S21-T23 PolarHBondContact O-N 2.83Å
24	S	74.4	Confident	72.4	Confident	38 Å²	38	85.1 Å²	85.1	27%	0.266	46%	0.464	S	S	.	.			trans	-96.9	118.3	-179.5	-176.7	0	0	0	0	110.3	S22 T26 L27	S22-S24 PolarHBondContact O-N 3.2Å; S22-S24 PolarHBondContact OG-N 2.71Å; S22-S24 PolarHBondContact OG-O 3.18Å; S24-T26 PolarHBondContact O-N 2.71Å; S24-T26 VanDerWaalsContact O-N 3.1Å; S24-T26 PolarHBondContact OG-N 2.94Å; S24-T26 PolarHBondContact OG-OG1 3.25Å; S24-L27 PolarHBondContact O-N 3.03Å; S24-L27 VanDerWaalsContact O-O 3.05Å
25	L	76.4	Confident	74.6	Confident	133 Å²	133	81.1 Å²	81.1	70%	0.696	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.3	172.4	-65.3	173.8	0	0	0	112.9	R29	L25-R29 VanDerWaalsContact O-CD 3.31Å; L25-R29 WeakPolarHBondContact O-CD 3.32Å
26	T	79.7	Confident	76.5	Confident	110 Å²	110	77.2 Å²	77.2	68%	0.675	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-13.4	-179.4	61.4	0	0	0	0	114	S24	S24-T26 PolarHBondContact O-N 2.71Å; S24-T26 VanDerWaalsContact O-N 3.1Å; S24-T26 PolarHBondContact OG-N 2.94Å; S24-T26 PolarHBondContact OG-OG1 3.25Å
27	L	80.6	Confident	78.6	Confident	112 Å²	112	78.7 Å²	78.7	59%	0.586	43%	0.431	S	S	*	.	S	Bend	trans	-114.8	128.2	-179.5	-64.7	171.5	0	0	0	110	S22 S24 R29	S22-L27 PolarHBondContact OG-O 3Å; S24-L27 PolarHBondContact O-N 3.03Å; S24-L27 VanDerWaalsContact O-O 3.05Å; L27-R29 PolarHBondContact O-N 2.96Å
28	E	81.1	Confident	80.4	Confident	109 Å²	109	77.1 Å²	77.1	51%	0.509	41%	0.412	S	S	.	.	S	Bend	trans	53.2	40.3	178.2	-58.1	-178.7	170.1	0	0	112.6	V30	E28-V30 PolarHBondContact O-N 3.33Å
29	R	90.7	Very high	82.5	Confident	65 Å²	65	69.8 Å²	69.8	25%	0.245	38%	0.38	C	S	.	.			trans	-54.7	117.6	-178.4	-176.7	74.3	-177.2	100.8	0.4	109.4	L25 L27 I31 E136 F216 N217	L25-R29 VanDerWaalsContact O-CD 3.31Å; L25-R29 WeakPolarHBondContact O-CD 3.32Å; L27-R29 PolarHBondContact O-N 2.96Å; R29-I31 HydrophobicContact CG-CD1 4.39Å; R29-E136 IonicContact CZ-OE2 3.6Å; R29-E136 IonicContact NE-OE2 3.69Å; R29-E136 IonicContact NH2-OE1 2.77Å; R29-E136 IonicContact NH2-OE2 3.3Å; R29-E136 PolarHBondContact NH2-OE2 2.81Å; R29-F216 HydrophobicContact CB-CD1 3.92Å; R29-F216 HydrophobicContact CB-CE1 4.2Å; R29-F216 HydrophobicContact CG-CD1 4.15Å; R29-F216 HydrophobicContact CG-CE1 4.2Å; R29-F216 WeakPolarHBondContact O-CA 3.49Å; R29-N217 PolarHBondContact O-N 2.82Å
30	V	93	Very high	84.4	Confident	41 Å²	41	66.3 Å²	66.3	25%	0.248	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.9	179.5	178.4	0	0	0	0	110.2	E28 N217 I219	E28-V30 PolarHBondContact O-N 3.33Å; V30-N217 WeakPolarHBondContact CA-O 3.39Å; V30-N217 HydrophobicContact CG2-CB 4.26Å; V30-I219 HydrophobicContact CG1-CD1 4.24Å; V30-I219 HydrophobicContact CG1-CG1 3.54Å
31	I	95.2	Very high	86.3	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.015	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	128.2	177.4	-60.9	-67	0	0	0	107.9	R29 L33 E136 L170 F216 N217 F218 I219	R29-I31 HydrophobicContact CG-CD1 4.39Å; I31-L33 HydrophobicContact CG2-CD2 4.16Å; I31-E136 HydrophobicContact CD1-CB 4.17Å; I31-E136 HydrophobicContact CD1-CG 3.96Å; I31-L170 HydrophobicContact CD1-CD2 3.68Å; I31-L170 HydrophobicContact CG1-CD2 3.73Å; I31-L170 HydrophobicContact CG2-CD2 4.24Å; I31-F216 HydrophobicContact CD1-CD1 4.19Å; I31-F216 HydrophobicContact CD1-CE1 4.46Å; I31-F216 HydrophobicContact CG1-CB 4.15Å; I31-F216 HydrophobicContact CG1-CD1 3.53Å; I31-F216 HydrophobicContact CG1-CE1 4.24Å; I31-F216 HydrophobicContact CG1-CG 4.05Å; I31-N217 PolarHBondContact N-O 3.03Å; I31-F218 HydrophobicContact CB-CD1 3.84Å; I31-F218 HydrophobicContact CB-CE1 3.96Å; I31-F218 HydrophobicContact CG2-CD1 3.96Å; I31-F218 HydrophobicContact CG2-CE1 3.89Å; I31-F218 WeakPolarHBondContact O-CA 3.28Å; I31-I219 PolarHBondContact O-N 2.96Å
32	N	96.7	Very high	88	Confident	57 Å²	57	63.6 Å²	63.6	31%	0.305	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.1	179.3	-66.6	-28.1	0	0	0	109.2	Y34 Q172 I221	N32-Y34 HydrophobicContact CB-CE2 4.07Å; N32-Q172 VanDerWaalsContact N-OE1 3.17Å; N32-Q172 PolarHBondContact O-NE2 2.84Å; N32-Q172 PolarHBondContact O-OE1 2.86Å; N32-I221 HydrophobicContact CB-CG1 4.28Å
33	L	98.2	Very high	89.8	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.1	169.7	-57.7	-172.7	0	0	0	108.1	I31 M79 H81 P86 F218 I219 Y220 I221	I31-L33 HydrophobicContact CG2-CD2 4.16Å; L33-M79 HydrophobicContact CD2-CB 3.4Å; L33-M79 HydrophobicContact CD2-CG 4.49Å; L33-H81 VanDerWaalsContact C-CD2 3.44Å; L33-H81 HydrophobicContact CB-CB 4.2Å; L33-H81 HydrophobicContact CD1-CB 4.46Å; L33-H81 PolarHBondContact O-CD2 3.5Å; L33-H81 PolarHBondContact O-NE2 3.12Å; L33-P86 HydrophobicContact CD1-CB 3.75Å; L33-F218 HydrophobicContact CD1-CB 3.85Å; L33-F218 HydrophobicContact CD1-CD1 3.69Å; L33-F218 HydrophobicContact CD1-CD2 4.39Å; L33-F218 HydrophobicContact CD1-CE1 4.35Å; L33-F218 HydrophobicContact CD1-CG 3.72Å; L33-F218 HydrophobicContact CD2-CD1 3.91Å; L33-F218 HydrophobicContact CD2-CE1 4.22Å; L33-F218 HydrophobicContact CG-CB 4.16Å; L33-F218 HydrophobicContact CG-CD1 3.73Å; L33-F218 HydrophobicContact CG-CE1 4.49Å; L33-F218 HydrophobicContact CG-CG 4.15Å; L33-I219 PolarHBondContact N-O 3.41Å; L33-Y220 HydrophobicContact CB-CD1 4.5Å; L33-Y220 HydrophobicContact CD1-CD1 4.33Å; L33-Y220 HydrophobicContact CD1-CE1 3.92Å; L33-I221 PolarHBondContact O-N 3.35Å
34	Y	98.4	Very high	91.1	Very high	33 Å²	33	60.7 Å²	60.7	13%	0.129	34%	0.335	C	S	.	.			trans	-109	156.3	174.5	-56.4	-83.5	0	0	0	110.8	N32 H81 L173 E175 I221	N32-Y34 HydrophobicContact CB-CE2 4.07Å; Y34-H81 PolarHBondContact O-CD2 3.06Å; Y34-H81 PolarHBondContact O-N 3.01Å; Y34-L173 WeakPolarHBondContact CE2-O 3.45Å; Y34-E175 HydrophobicContact CD1-CB 3.96Å; Y34-E175 HydrophobicContact CD1-CG 3.65Å; Y34-E175 HydrophobicContact CE1-CB 3.66Å; Y34-E175 HydrophobicContact CE1-CG 3.61Å; Y34-E175 HydrophobicContact CE2-CB 4.36Å; Y34-E175 HydrophobicContact CG-CB 4.4Å; Y34-E175 HydrophobicContact CG-CG 4.38Å; Y34-I221 HydrophobicContact CD1-CB 3.73Å; Y34-I221 HydrophobicContact CD1-CG1 4.2Å; Y34-I221 HydrophobicContact CD1-CG2 3.9Å; Y34-I221 HydrophobicContact CE1-CB 3.86Å; Y34-I221 HydrophobicContact CE1-CG1 3.92Å; Y34-I221 HydrophobicContact CE1-CG2 3.81Å
35	P	98.4	Very high	92	Very high	33 Å²	33	64.5 Å²	64.5	21%	0.214	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-58.4	142.9	-178.7	-24.5	35	0	0	0	111.6	T37 N38 Y39 H81 I221	P35-T37 PolarHBondContact O-N 3.19Å; P35-T37 VanDerWaalsContact O-N 3.09Å; P35-N38 WeakPolarHBondContact O-CB 3.48Å; P35-N38 PolarHBondContact O-N 2.89Å; P35-Y39 WeakPolarHBondContact O-CD2 3.18Å; P35-Y39 WeakPolarHBondContact O-CE2 3.35Å; P35-H81 CarbonylContact C-O 3.58Å; P35-H81 VanDerWaalsContact CA-O 3.31Å; P35-H81 WeakPolarHBondContact CA-O 3.48Å; P35-I221 WeakPolarHBondContact CD-O 3.38Å
36	L	98	Very high	92.8	Very high	37 Å²	37	61.1 Å²	61.1	19%	0.194	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-52.9	-33.9	175.5	174.6	61.3	0	0	0	112	N38 Y39 F41 V80 H81 A189	L36-N38 PolarHBondContact O-N 3.16Å; L36-Y39 PolarHBondContact O-N 2.91Å; L36-Y39 VanDerWaalsContact O-N 3.15Å; L36-F41 HydrophobicContact CD1-CE2 4.01Å; L36-F41 HydrophobicContact CD1-CZ 3.72Å; L36-V80 HydrophobicContact CB-CG2 4.21Å; L36-V80 HydrophobicContact CD1-CG2 4.01Å; L36-H81 PolarHBondContact N-O 3.33Å; L36-A189 HydrophobicContact CD1-CB 3.99Å; L36-A189 HydrophobicContact CD2-CB 3.92Å
37	T	97.3	Very high	93.2	Very high	125 Å²	125	58.7 Å²	58.7	77%	0.767	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65	-16.9	178.4	51.4	0	0	0	0	114.6	P35 Y39	P35-T37 PolarHBondContact O-N 3.19Å; P35-T37 VanDerWaalsContact O-N 3.09Å; T37-Y39 PolarHBondContact O-N 2.84Å
38	N	96.6	Very high	93.4	Very high	38 Å²	38	57.8 Å²	57.8	20%	0.203	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-76	-11.5	176	-70.9	24.6	0	0	0	112.8	P35 L36 E175	P35-N38 WeakPolarHBondContact O-CB 3.48Å; P35-N38 PolarHBondContact O-N 2.89Å; L36-N38 PolarHBondContact O-N 3.16Å; N38-E175 WeakPolarHBondContact CB-O 3.42Å; N38-E175 PolarHBondContact ND2-O 3.01Å
39	Y	95.5	Very high	93.7	Very high	8 Å²	8	56 Å²	56	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.1	-177	-54.8	-77.5	0	0	0	110.4	P35 L36 T37 V80 L173 P174 A177 F179	P35-Y39 WeakPolarHBondContact O-CD2 3.18Å; P35-Y39 WeakPolarHBondContact O-CE2 3.35Å; L36-Y39 PolarHBondContact O-N 2.91Å; L36-Y39 VanDerWaalsContact O-N 3.15Å; T37-Y39 PolarHBondContact O-N 2.84Å; Y39-V80 HydrophobicContact CD2-CB 4.42Å; Y39-V80 HydrophobicContact CD2-CG1 3.62Å; Y39-V80 HydrophobicContact CE2-CB 4.04Å; Y39-V80 HydrophobicContact CE2-CG1 3.31Å; Y39-L173 HydrophobicContact CD1-CD1 4.4Å; Y39-L173 HydrophobicContact CE1-CB 3.9Å; Y39-L173 HydrophobicContact CE1-CD1 3.76Å; Y39-L173 HydrophobicContact CE1-CG 4.33Å; Y39-L173 HydrophobicContact CE2-CD1 4.4Å; Y39-L173 VanDerWaalsContact OH-CB 3.24Å; Y39-L173 WeakPolarHBondContact OH-CB 3.18Å; Y39-P174 PolarHBondContact OH-O 2.94Å; Y39-A177 WeakPolarHBondContact CA-O 3.34Å; Y39-A177 HydrophobicContact CD1-CB 3.97Å; Y39-A177 HydrophobicContact CE1-CB 4.27Å; Y39-F179 AromaticContact CD1-CE2 3.69Å; Y39-F179 HydrophobicContact CD1-CE2 3.69Å; Y39-F179 HydrophobicContact CD1-CZ 4.01Å; Y39-F179 HydrophobicContact CE1-CZ 4.49Å; Y39-F179 AromaticContact CG-CE2 3.98Å; Y39-F179 HydrophobicContact CG-CE2 3.98Å
40	T	93.2	Very high	93.6	Very high	86 Å²	86	59.9 Å²	59.9	53%	0.528	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.9	175.4	-57.3	0	0	0	0	109.7	A177 L178 F179	T40-A177 PolarHBondContact N-O 3.15Å; T40-L178 HydrophobicContact CG2-CD1 3.54Å; T40-L178 WeakPolarHBondContact O-CA 3.42Å; T40-F179 PolarHBondContact O-N 2.89Å
41	F	92.7	Very high	93.5	Very high	85 Å²	85	59.2 Å²	59.2	37%	0.373	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	95.8	-179.4	-51.7	-66.5	0	0	0	110	L36 F179 L187	L36-F41 HydrophobicContact CD1-CE2 4.01Å; L36-F41 HydrophobicContact CD1-CZ 3.72Å; F41-F179 HydrophobicContact CD1-CB 4.3Å; F41-F179 AromaticContact CD1-CD2 3.82Å; F41-F179 HydrophobicContact CD1-CD2 3.82Å; F41-F179 AromaticContact CE1-CD2 3.59Å; F41-F179 HydrophobicContact CE1-CD2 3.59Å; F41-F179 HydrophobicContact CE1-CE2 4.14Å; F41-L187 HydrophobicContact CD1-CD2 3.65Å; F41-L187 HydrophobicContact CD1-CG 4.43Å; F41-L187 HydrophobicContact CE1-CD2 3.59Å; F41-L187 HydrophobicContact CE1-CG 4.28Å
42	G	92.2	Very high	93.3	Very high	25 Å²	25	68.3 Å²	68.3	26%	0.258	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	172.9	168.9	0	0	0	0	0	112	F179 V181	G42-F179 WeakPolarHBondContact CA-O 3.35Å; G42-F179 PolarHBondContact N-O 2.96Å; G42-V181 PolarHBondContact O-N 3.11Å
43	T	92	Very high	93.1	Very high	110 Å²	110	69 Å²	69	68%	0.675	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	145	175.5	59	0	0	0	0	110.9	V181	T43-V181 CarbonylContact C-O 3.6Å; T43-V181 VanDerWaalsContact CA-O 3.31Å; T43-V181 WeakPolarHBondContact CA-O 3.15Å
44	K	93.4	Very high	92.7	Very high	26 Å²	26	73.4 Å²	73.4	11%	0.113	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	177.4	171.7	69.6	178.4	178.4	-169.6	0	111.6	E121 C122 G124 A180 V181 P182 K183	K44-E121 PolarHBondContact NZ-O 2.91Å; K44-C122 WeakPolarHBondContact CE-O 3.48Å; K44-C122 VanDerWaalsContact NZ-C 3.27Å; K44-C122 PolarHBondContact NZ-O 2.7Å; K44-G124 PolarHBondContact NZ-O 2.9Å; K44-G124 VanDerWaalsContact NZ-O 3.1Å; K44-A180 HydrophobicContact CB-CB 4.24Å; K44-A180 HydrophobicContact CD-CB 3.98Å; K44-A180 VanDerWaalsContact CD-O 3.28Å; K44-A180 WeakPolarHBondContact CD-O 3.41Å; K44-A180 WeakPolarHBondContact CE-O 3.34Å; K44-A180 HydrophobicContact CG-CB 4.32Å; K44-V181 PolarHBondContact N-O 2.57Å; K44-P182 HydrophobicContact CG-CG 4.48Å; K44-K183 WeakPolarHBondContact O-CG 3.35Å; K44-K183 PolarHBondContact O-N 3.38Å
45	E	93.5	Very high	92.6	Very high	118 Å²	118	78.7 Å²	78.7	55%	0.551	43%	0.433	S	S	*	.			trans	-55.4	147.4	178.4	-69.3	-51.6	123.8	0	0	112.9	K183	E45-K183 IonicContact OE1-NZ 2.74Å; E45-K183 PolarHBondContact OE1-NZ 2.84Å; E45-K183 IonicContact OE2-NZ 3.54Å
46	A	92.3	Very high	92.5	Very high	62 Å²	62	79 Å²	79	51%	0.512	44%	0.438	S	S	.	.			trans	-62.9	140.1	-175.4	0	0	0	0	0	111.2	N184	A46-N184 WeakPolarHBondContact CA-OD1 3.36Å; A46-N184 HydrophobicContact CB-CB 4.18Å
47	M	88.5	Confident	92.5	Very high	59 Å²	59	80.4 Å²	80.4	29%	0.291	44%	0.441	S	S	.	.			trans	-97.7	112.2	176.8	-169.8	176.9	-172.9	0	0	108.6	E121 P182 N184	M47-E121 HydrophobicContact CE-CG 4.05Å; M47-E121 WeakPolarHBondContact CE-OE1 3.5Å; M47-P182 HydrophobicContact CB-CB 3.89Å; M47-P182 HydrophobicContact CB-CG 3.97Å; M47-N184 PolarHBondContact N-OD1 2.73Å; M47-N184 PolarHBondContact O-ND2 3.45Å
48	A	85.1	Confident	92.4	Very high	92 Å²	92	75.5 Å²	75.5	76%	0.76	41%	0.409	S	S	*	.			trans	-69.2	133.5	-179.6	0	0	0	0	0	111
49	E	86.7	Confident	92.5	Very high	73 Å²	73	78.5 Å²	78.5	34%	0.341	42%	0.422	S	S	.	.			trans	-65.7	134.5	169	-76.5	-72.3	115.5	0	0	109.8	D51 R99 Y185	E49-D51 PolarHBondContact O-N 2.86Å; E49-R99 IonicContact OE1-CZ 3.87Å; E49-R99 IonicContact OE1-NH1 3.63Å; E49-R99 PolarHBondContact OE1-NH1 3.37Å; E49-R99 IonicContact OE2-CZ 3.21Å; E49-R99 IonicContact OE2-NH1 2.99Å; E49-R99 PolarHBondContact OE2-NH1 2.97Å; E49-R99 IonicContact OE2-NH2 2.8Å; E49-R99 PolarHBondContact OE2-NH2 3.18Å; E49-Y185 PolarHBondContact OE1-OH 3.17Å
50	R	88.9	Confident	92.6	Very high	145 Å²	145	80.4 Å²	80.4	55%	0.547	43%	0.429	S	S	.	.	S	Bend	trans	-60.3	-35.9	178.6	-71.2	-172.8	178.8	-169	-8.5	112.3	E104	R50-E104 IonicContact CZ-OE2 2.83Å; R50-E104 IonicContact NH1-OE2 3.39Å; R50-E104 PolarHBondContact NH1-OE2 2.89Å
51	D	92	Very high	92.8	Very high	28 Å²	28	76.4 Å²	76.4	15%	0.15	40%	0.404	C	S	.	.			trans	-119.7	122.6	-176	-54.5	-61.7	0	0	0	110.4	E49 T53 A56 R57 R60	E49-D51 PolarHBondContact O-N 2.86Å; D51-T53 VanDerWaalsContact C-N 3.34Å; D51-A56 HydrophobicContact CB-CB 4.44Å; D51-R57 HydrophobicContact CB-CB 3.76Å; D51-R57 WeakPolarHBondContact OD2-CA 3.46Å; D51-R57 WeakPolarHBondContact OD2-CB 3.33Å; D51-R57 WeakPolarHBondContact OD2-CG 3.39Å; D51-R60 VanDerWaalsContact CG-NE 3.34Å; D51-R60 WeakPolarHBondContact OD1-CD 3.42Å; D51-R60 IonicContact OD1-CZ 3.89Å; D51-R60 IonicContact OD1-NE 2.84Å; D51-R60 PolarHBondContact OD1-NE 3.13Å; D51-R60 IonicContact OD1-NH2 2.73Å; D51-R60 IonicContact OD2-CZ 3.88Å; D51-R60 VanDerWaalsContact OD2-CZ 3.3Å; D51-R60 IonicContact OD2-NE 3Å; D51-R60 PolarHBondContact OD2-NE 3.44Å; D51-R60 VanDerWaalsContact OD2-NE 3.13Å; D51-R60 IonicContact OD2-NH2 3.91Å; D51-R60 PolarHBondContact OD2-NH2 3.12Å
52	Q	89.1	Confident	93.1	Very high	194 Å²	194	77.3 Å²	77.3	91%	0.907	41%	0.405	S	S	*	.	S	Bend	trans	-75.4	-23.7	179.8	-63.2	-178.4	11.4	0	0	113.3
53	T	92.6	Very high	93.3	Very high	71 Å²	71	79.1 Å²	79.1	44%	0.436	41%	0.409	S	S	.	.	S	Bend	trans	-135.4	156.4	-177.5	70.3	0	0	0	0	111.1	D51 Q55 A56 R57	D51-T53 VanDerWaalsContact C-N 3.34Å; T53-Q55 PolarHBondContact O-N 3.44Å; T53-A56 PolarHBondContact O-N 2.77Å; T53-A56 WeakPolarHBondContact OG1-CB 3.31Å; T53-A56 PolarHBondContact OG1-N 2.85Å; T53-A56 VanDerWaalsContact OG1-N 3.07Å; T53-R57 PolarHBondContact O-N 3.18Å
54	V	91.4	Very high	93.6	Very high	94 Å²	94	75.3 Å²	75.3	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-60.3	-37.5	175.6	176.8	0	0	0	0	110.8	R57 F58	V54-R57 WeakPolarHBondContact O-CB 3.42Å; V54-R57 PolarHBondContact O-N 2.81Å; V54-F58 HydrophobicContact CG1-CD2 3.79Å; V54-F58 HydrophobicContact CG1-CE2 3.49Å; V54-F58 VanDerWaalsContact CG1-CE2 3.49Å; V54-F58 VanDerWaalsContact O-CD2 3.22Å; V54-F58 WeakPolarHBondContact O-CD2 3.44Å; V54-F58 PolarHBondContact O-N 3.19Å; V54-F58 VanDerWaalsContact O-N 3.14Å
55	Q	95.5	Very high	93.8	Very high	143 Å²	143	76.4 Å²	76.4	67%	0.668	39%	0.388	S	S	*	.	H	α-helix	trans	-63.4	-47.1	176.8	-63.8	83.5	-10.4	0	0	111.3	T53 R57 F58 Q59	T53-Q55 PolarHBondContact O-N 3.44Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 3.44Å; Q55-F58 PolarHBondContact O-N 2.81Å; Q55-Q59 PolarHBondContact O-N 3.34Å
56	A	97	Very high	94	Very high	39 Å²	39	78.4 Å²	78.4	32%	0.322	40%	0.397	S	S	.	.	H	α-helix	trans	-60.4	-41.3	177.1	0	0	0	0	0	111.5	D51 T53 F58 Q59 R60	D51-A56 HydrophobicContact CB-CB 4.44Å; T53-A56 PolarHBondContact O-N 2.77Å; T53-A56 WeakPolarHBondContact OG1-CB 3.31Å; T53-A56 PolarHBondContact OG1-N 2.85Å; T53-A56 VanDerWaalsContact OG1-N 3.07Å; A56-F58 PolarHBondContact O-N 3.45Å; A56-Q59 PolarHBondContact O-N 3.17Å; A56-R60 WeakPolarHBondContact O-CB 3.44Å; A56-R60 PolarHBondContact O-N 3.27Å
57	R	96.3	Very high	94.2	Very high	68 Å²	68	83 Å²	83	26%	0.257	41%	0.406	S	S	.	.	H	α-helix	trans	-57.9	-47	176	-178	178.7	177.2	-151.5	0.9	112.7	D51 T53 V54 Q55 M61	D51-R57 HydrophobicContact CB-CB 3.76Å; D51-R57 WeakPolarHBondContact OD2-CA 3.46Å; D51-R57 WeakPolarHBondContact OD2-CB 3.33Å; D51-R57 WeakPolarHBondContact OD2-CG 3.39Å; T53-R57 PolarHBondContact O-N 3.18Å; V54-R57 WeakPolarHBondContact O-CB 3.42Å; V54-R57 PolarHBondContact O-N 2.81Å; Q55-R57 VanDerWaalsContact C-N 3.3Å; Q55-R57 PolarHBondContact O-N 3.44Å; R57-M61 WeakPolarHBondContact O-CB 3.22Å; R57-M61 PolarHBondContact O-N 3.31Å
58	F	97.1	Very high	94.5	Very high	22 Å²	22	87.1 Å²	87.1	10%	0.096	42%	0.418	C	S	.	.	H	α-helix	trans	-73.5	-30.7	179	-72.3	-59.1	0	0	0	112.9	V54 Q55 A56 M61 R62 F147 P149	V54-F58 HydrophobicContact CG1-CD2 3.79Å; V54-F58 HydrophobicContact CG1-CE2 3.49Å; V54-F58 VanDerWaalsContact CG1-CE2 3.49Å; V54-F58 VanDerWaalsContact O-CD2 3.22Å; V54-F58 WeakPolarHBondContact O-CD2 3.44Å; V54-F58 PolarHBondContact O-N 3.19Å; V54-F58 VanDerWaalsContact O-N 3.14Å; Q55-F58 PolarHBondContact O-N 2.81Å; A56-F58 PolarHBondContact O-N 3.45Å; F58-M61 HydrophobicContact CD1-SD 4.28Å; F58-M61 PolarHBondContact O-N 2.93Å; F58-R62 WeakPolarHBondContact O-CG 3.37Å; F58-R62 PolarHBondContact O-N 3.11Å; F58-F147 VanDerWaalsContact CD1-C 3.43Å; F58-F147 HydrophobicContact CD1-CB 4.46Å; F58-F147 WeakPolarHBondContact CD1-O 3.42Å; F58-P149 HydrophobicContact CE2-CG 3.99Å; F58-P149 HydrophobicContact CZ-CB 4.48Å; F58-P149 HydrophobicContact CZ-CG 3.93Å
59	Q	97.8	Very high	95	Very high	100 Å²	100	84.1 Å²	84.1	47%	0.467	40%	0.396	S	S	.	.	H	α-helix	trans	-65	-50.7	172.8	-171.8	58.3	48.1	0	0	111	Q55 A56 M61 R62 D63	Q55-Q59 PolarHBondContact O-N 3.34Å; A56-Q59 PolarHBondContact O-N 3.17Å; Q59-M61 PolarHBondContact O-N 3.03Å; Q59-R62 WeakPolarHBondContact O-CA 3.31Å; Q59-R62 WeakPolarHBondContact O-CB 3.24Å; Q59-R62 PolarHBondContact O-N 3.01Å; Q59-D63 PolarHBondContact NE2-OD1 3.1Å; Q59-D63 VanDerWaalsContact O-CG 3.29Å; Q59-D63 PolarHBondContact O-N 2.84Å
60	R	97.5	Very high	95.6	Very high	49 Å²	49	84 Å²	84	19%	0.185	40%	0.396	C	S	.	.	H	α-helix	trans	-56	-40.4	174.7	-176	172.2	66.8	101.4	4.2	111.6	D51 A56 R62 D63 D64 E104	D51-R60 VanDerWaalsContact CG-NE 3.34Å; D51-R60 WeakPolarHBondContact OD1-CD 3.42Å; D51-R60 IonicContact OD1-CZ 3.89Å; D51-R60 IonicContact OD1-NE 2.84Å; D51-R60 PolarHBondContact OD1-NE 3.13Å; D51-R60 IonicContact OD1-NH2 2.73Å; D51-R60 IonicContact OD2-CZ 3.88Å; D51-R60 VanDerWaalsContact OD2-CZ 3.3Å; D51-R60 IonicContact OD2-NE 3Å; D51-R60 PolarHBondContact OD2-NE 3.44Å; D51-R60 VanDerWaalsContact OD2-NE 3.13Å; D51-R60 IonicContact OD2-NH2 3.91Å; D51-R60 PolarHBondContact OD2-NH2 3.12Å; A56-R60 WeakPolarHBondContact O-CB 3.44Å; A56-R60 PolarHBondContact O-N 3.27Å; R60-R62 VanDerWaalsContact C-N 3.34Å; R60-R62 PolarHBondContact O-N 3.21Å; R60-D63 PolarHBondContact O-N 2.83Å; R60-D64 WeakPolarHBondContact O-CB 3.23Å; R60-D64 PolarHBondContact O-N 3.4Å; R60-E104 IonicContact CZ-OE1 2.86Å; R60-E104 IonicContact CZ-OE2 2.7Å; R60-E104 IonicContact NH1-OE1 3.37Å; R60-E104 PolarHBondContact NH1-OE1 3Å; R60-E104 IonicContact NH1-OE2 3.86Å; R60-E104 PolarHBondContact NH1-OE2 3.23Å; R60-E104 IonicContact NH2-OE1 2.97Å; R60-E104 PolarHBondContact NH2-OE1 2.76Å; R60-E104 IonicContact NH2-OE2 2.72Å
61	M	97.7	Very high	96	Very high	2 Å²	2	78 Å²	78	1%	0.01	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-39.3	175.6	-170.2	-177.1	-72	0	0	112.6	R57 F58 Q59 Y65 F147 K163 E164	R57-M61 WeakPolarHBondContact O-CB 3.22Å; R57-M61 PolarHBondContact O-N 3.31Å; F58-M61 HydrophobicContact CD1-SD 4.28Å; F58-M61 PolarHBondContact O-N 2.93Å; Q59-M61 PolarHBondContact O-N 3.03Å; M61-Y65 WeakPolarHBondContact O-CB 3.41Å; M61-Y65 PolarHBondContact O-N 3.01Å; M61-F147 HydrophobicContact CB-CD1 4.15Å; M61-F147 HydrophobicContact CB-CE1 4.48Å; M61-F147 HydrophobicContact CG-CD1 3.79Å; M61-F147 HydrophobicContact CG-CE1 3.96Å; M61-F147 WeakPolarHBondContact O-CE1 3.48Å; M61-F147 HydrophobicContact SD-CD1 3.96Å; M61-K163 HydrophobicContact SD-CB 4.27Å; M61-E164 WeakPolarHBondContact CE-OE2 3.37Å
62	R	98	Very high	96.3	Very high	104 Å²	104	80.3 Å²	80.3	39%	0.392	38%	0.38	S	S	.	.	H	α-helix	trans	-64	-50.6	174	-70.7	172.6	-166.6	-95.2	4.1	111	F58 Q59 R60 D64 Y65 E66 F147	F58-R62 WeakPolarHBondContact O-CG 3.37Å; F58-R62 PolarHBondContact O-N 3.11Å; Q59-R62 WeakPolarHBondContact O-CA 3.31Å; Q59-R62 WeakPolarHBondContact O-CB 3.24Å; Q59-R62 PolarHBondContact O-N 3.01Å; R60-R62 VanDerWaalsContact C-N 3.34Å; R60-R62 PolarHBondContact O-N 3.21Å; R62-D64 VanDerWaalsContact C-N 3.33Å; R62-D64 PolarHBondContact O-N 2.97Å; R62-Y65 WeakPolarHBondContact O-CB 3.41Å; R62-Y65 PolarHBondContact O-N 3.15Å; R62-Y65 VanDerWaalsContact O-N 3.08Å; R62-E66 PolarHBondContact O-N 2.96Å; R62-F147 VanDerWaalsContact CA-CE1 3.49Å; R62-F147 HydrophobicContact CB-CD1 4.39Å; R62-F147 HydrophobicContact CB-CE1 4.19Å; R62-F147 HydrophobicContact CB-CZ 4.26Å; R62-F147 HydrophobicContact CG-CB 4.06Å; R62-F147 HydrophobicContact CG-CD1 3.51Å; R62-F147 HydrophobicContact CG-CD2 3.6Å; R62-F147 HydrophobicContact CG-CE1 3.71Å; R62-F147 HydrophobicContact CG-CE2 3.77Å; R62-F147 HydrophobicContact CG-CG 3.45Å; R62-F147 VanDerWaalsContact CG-CG 3.45Å; R62-F147 HydrophobicContact CG-CZ 3.81Å
63	D	97.7	Very high	96.8	Very high	63 Å²	63	71.6 Å²	71.6	34%	0.337	34%	0.34	S	S	.	.	H	α-helix	trans	-62.1	-40.3	-176.9	-56.9	-14.1	0	0	0	112	Q59 R60 K67	Q59-D63 PolarHBondContact NE2-OD1 3.1Å; Q59-D63 VanDerWaalsContact O-CG 3.29Å; Q59-D63 PolarHBondContact O-N 2.84Å; R60-D63 PolarHBondContact O-N 2.83Å; D63-K67 WeakPolarHBondContact O-CD 3.45Å; D63-K67 WeakPolarHBondContact O-CG 3.49Å
64	D	96.9	Very high	97.1	Very high	30 Å²	30	68.2 Å²	68.2	16%	0.16	32%	0.32	C	S	.	.	H	α-helix	trans	-67.4	-39.5	174.8	-77.1	-33.3	0	0	0	111.7	R60 R62 E66 K67 R68 R71	R60-D64 WeakPolarHBondContact O-CB 3.23Å; R60-D64 PolarHBondContact O-N 3.4Å; R62-D64 VanDerWaalsContact C-N 3.33Å; R62-D64 PolarHBondContact O-N 2.97Å; D64-E66 VanDerWaalsContact C-N 3.34Å; D64-E66 PolarHBondContact O-N 3.22Å; D64-K67 PolarHBondContact O-N 2.95Å; D64-R68 PolarHBondContact O-N 2.84Å; D64-R68 IonicContact OD1-CZ 3.77Å; D64-R68 IonicContact OD1-NE 3.18Å; D64-R68 IonicContact OD1-NH2 2.8Å; D64-R68 PolarHBondContact OD1-NH2 2.99Å; D64-R71 IonicContact OD2-NH2 2.88Å; D64-R71 PolarHBondContact OD2-NH2 3.41Å
65	Y	97.8	Very high	97.4	Very high	48 Å²	48	65 Å²	65	19%	0.188	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-39.7	-177.9	-169.8	-89.9	0	0	0	112.3	M61 R62 K67 G69 M70 F147 K161 P162 K163	M61-Y65 WeakPolarHBondContact O-CB 3.41Å; M61-Y65 PolarHBondContact O-N 3.01Å; R62-Y65 WeakPolarHBondContact O-CB 3.41Å; R62-Y65 PolarHBondContact O-N 3.15Å; R62-Y65 VanDerWaalsContact O-N 3.08Å; Y65-K67 VanDerWaalsContact C-N 3.28Å; Y65-K67 PolarHBondContact O-N 3.09Å; Y65-G69 WeakPolarHBondContact CA-O 3.48Å; Y65-G69 VanDerWaalsContact CD2-C 3.41Å; Y65-G69 WeakPolarHBondContact CD2-O 3.22Å; Y65-G69 WeakPolarHBondContact O-CA 3.24Å; Y65-G69 PolarHBondContact O-N 3.06Å; Y65-M70 HydrophobicContact CE2-CB 4.19Å; Y65-F147 HydrophobicContact CD1-CZ 4.02Å; Y65-F147 HydrophobicContact CG-CE1 4.19Å; Y65-F147 AromaticContact CG-CZ 3.88Å; Y65-F147 HydrophobicContact CG-CZ 3.88Å; Y65-K161 WeakPolarHBondContact OH-CB 3.35Å; Y65-K161 PolarHBondContact OH-O 3.43Å; Y65-P162 VanDerWaalsContact CE2-O 3.22Å; Y65-P162 WeakPolarHBondContact CE2-O 3.47Å; Y65-P162 PolarHBondContact OH-O 2.86Å; Y65-K163 HydrophobicContact CD1-CD 4.3Å; Y65-K163 HydrophobicContact CD2-CB 4.42Å; Y65-K163 HydrophobicContact CD2-CD 3.94Å; Y65-K163 HydrophobicContact CE1-CD 4.09Å; Y65-K163 HydrophobicContact CE2-CD 3.74Å; Y65-K163 HydrophobicContact CG-CD 4.23Å
66	E	97.4	Very high	97.6	Very high	160 Å²	160	58.1 Å²	58.1	75%	0.748	27%	0.266	S	S	*	.	H	α-helix	trans	-63.4	-35.1	175.8	-70.9	177.4	-177.1	0	0	112.3	R62 D64	R62-E66 PolarHBondContact O-N 2.96Å; D64-E66 VanDerWaalsContact C-N 3.34Å; D64-E66 PolarHBondContact O-N 3.22Å
67	K	97	Very high	97.7	Very high	158 Å²	158	56.3 Å²	56.3	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-85	-38.3	-176.5	-65.7	170.3	-171.9	170.6	0	113.2	D63 D64 Y65	D63-K67 WeakPolarHBondContact O-CD 3.45Å; D63-K67 WeakPolarHBondContact O-CG 3.49Å; D64-K67 PolarHBondContact O-N 2.95Å; Y65-K67 VanDerWaalsContact C-N 3.28Å; Y65-K67 PolarHBondContact O-N 3.09Å
68	R	94.7	Very high	97.8	Very high	147 Å²	147	53 Å²	53	56%	0.555	24%	0.239	S	C	*	.	H	α-helix	trans	-133.2	-3.7	-163.9	-63.1	-178.6	-94.4	-173	-1.1	113.9	D64	D64-R68 PolarHBondContact O-N 2.84Å; D64-R68 IonicContact OD1-CZ 3.77Å; D64-R68 IonicContact OD1-NE 3.18Å; D64-R68 IonicContact OD1-NH2 2.8Å; D64-R68 PolarHBondContact OD1-NH2 2.99Å
69	G	96.9	Very high	97.8	Very high	28 Å²	28	52.3 Å²	52.3	29%	0.289	24%	0.235	S	C	.	.			trans	79.1	-150.6	-179.3	0	0	0	0	0	113.5	Y65 R71	Y65-G69 WeakPolarHBondContact CA-O 3.48Å; Y65-G69 VanDerWaalsContact CD2-C 3.41Å; Y65-G69 WeakPolarHBondContact CD2-O 3.22Å; Y65-G69 WeakPolarHBondContact O-CA 3.24Å; Y65-G69 PolarHBondContact O-N 3.06Å; G69-R71 PolarHBondContact O-N 3.02Å
70	M	98	Very high	97.8	Very high	70 Å²	70	47.5 Å²	47.5	35%	0.345	21%	0.213	S	C	.	.	S	Bend	trans	-59.2	126.8	-172.7	-175.7	-177.4	69.5	0	0	112.5	Y65 R72 P162 H165	Y65-M70 HydrophobicContact CE2-CB 4.19Å; M70-R72 PolarHBondContact O-N 2.8Å; M70-P162 WeakPolarHBondContact CG-O 3.32Å; M70-P162 HydrophobicContact SD-CB 4.29Å; M70-P162 HydrophobicContact SD-CG 3.7Å; M70-H165 HydrophobicContact CE-CB 3.51Å; M70-H165 HydrophobicContact CG-CB 4.48Å; M70-H165 HydrophobicContact SD-CB 3.63Å
71	R	98.3	Very high	97.9	Very high	19 Å²	19	45.7 Å²	45.7	7%	0.072	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	133.1	171.5	179.7	172.7	-70.6	-176.2	3.8	109.8	D64 G69 E104 K163 E164 H165	D64-R71 IonicContact OD2-NH2 2.88Å; D64-R71 PolarHBondContact OD2-NH2 3.41Å; G69-R71 PolarHBondContact O-N 3.02Å; R71-E104 HydrophobicContact CG-CG 4.39Å; R71-E104 IonicContact CZ-OE1 3.96Å; R71-E104 IonicContact NE-OE1 2.84Å; R71-E104 IonicContact NH1-OE1 4Å; R71-E104 PolarHBondContact NH1-OE1 3.2Å; R71-E104 IonicContact NH2-OE1 3.78Å; R71-K163 PolarHBondContact N-O 3.44Å; R71-E164 HydrophobicContact CB-CB 4.24Å; R71-E164 HydrophobicContact CB-CG 4.15Å; R71-E164 HydrophobicContact CG-CG 4.16Å; R71-E164 CarbonylContact O-C 3.52Å; R71-E164 VanDerWaalsContact O-CA 3.3Å; R71-E164 WeakPolarHBondContact O-CA 3.3Å; R71-H165 PolarHBondContact O-N 3.07Å
72	R	98.6	Very high	97.9	Very high	78 Å²	78	49.5 Å²	49.5	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	122	173.5	-66.6	172.3	60.4	-153.9	-5.2	108.7	M70 L105 E109 S111	M70-R72 PolarHBondContact O-N 2.8Å; R72-L105 HydrophobicContact CB-CB 4.19Å; R72-L105 HydrophobicContact CB-CD1 4Å; R72-L105 HydrophobicContact CB-CG 4.41Å; R72-L105 PolarHBondContact O-N 3.49Å; R72-E109 VanDerWaalsContact CZ-O 3.32Å; R72-E109 PolarHBondContact NH1-O 2.69Å; R72-E109 PolarHBondContact NH2-O 3.23Å; R72-S111 PolarHBondContact NH2-OG 3.3Å
73	T	98.7	Very high	97.8	Very high	10 Å²	10	52.5 Å²	52.5	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.1	179.8	-54.7	0	0	0	0	108.6	E75 G103 E164 H165 T166 R167	T73-E75 HydrophobicContact CG2-CG 4.48Å; T73-G103 CarbonylContact C-O 3.59Å; T73-G103 WeakPolarHBondContact CA-O 3.19Å; T73-G103 WeakPolarHBondContact CG2-O 3.49Å; T73-E164 PolarHBondContact OG1-OE1 2.82Å; T73-H165 PolarHBondContact N-O 3.39Å; T73-T166 HydrophobicContact CG2-CG2 3.97Å; T73-T166 CarbonylContact O-C 3.46Å; T73-T166 VanDerWaalsContact O-CA 3.31Å; T73-T166 WeakPolarHBondContact O-CA 3.44Å; T73-R167 PolarHBondContact O-N 3.1Å
74	V	98.8	Very high	97.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	137.8	173.8	-63.3	0	0	0	0	109.9	G102 G103 L105 L115 L118 R167 Y169	V74-G102 CarbonylContact O-C 3.55Å; V74-G102 VanDerWaalsContact O-CA 3.24Å; V74-G102 WeakPolarHBondContact O-CA 3.2Å; V74-G103 PolarHBondContact N-O 3.49Å; V74-G103 PolarHBondContact O-N 3.15Å; V74-L105 HydrophobicContact CG1-CD1 3.77Å; V74-L105 HydrophobicContact CG1-CD2 4.09Å; V74-L105 HydrophobicContact CG1-CG 3.98Å; V74-L105 HydrophobicContact CG2-CD2 3.64Å; V74-L105 HydrophobicContact CG2-CG 4.16Å; V74-L115 HydrophobicContact CB-CB 4.26Å; V74-L115 HydrophobicContact CB-CD1 4.38Å; V74-L115 HydrophobicContact CG2-CB 3.8Å; V74-L115 HydrophobicContact CG2-CD1 4.07Å; V74-L118 HydrophobicContact CG2-CD1 3.58Å; V74-R167 CarbonylContact C-O 3.57Å; V74-R167 WeakPolarHBondContact CA-O 3.33Å; V74-Y169 HydrophobicContact CB-CE2 4.19Å; V74-Y169 HydrophobicContact CG1-CE2 3.89Å
75	E	98.7	Very high	97.8	Very high	25 Å²	25	55.8 Å²	55.8	12%	0.117	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.3	179.3	-68.8	-177.2	173.8	0	0	109.4	T73 L100 T166 R167 L168 Y169 L205	T73-E75 HydrophobicContact CG2-CG 4.48Å; E75-L100 HydrophobicContact CB-CB 3.93Å; E75-L100 HydrophobicContact CB-CD1 4.07Å; E75-L100 HydrophobicContact CG-CB 4.35Å; E75-T166 HydrophobicContact CG-CG2 4.2Å; E75-R167 PolarHBondContact N-O 3.41Å; E75-L168 HydrophobicContact CB-CG 4.39Å; E75-L168 CarbonylContact O-C 3.54Å; E75-L168 WeakPolarHBondContact O-CA 3.31Å; E75-Y169 PolarHBondContact O-N 2.78Å; E75-L205 WeakPolarHBondContact OE2-CD2 3.41Å
76	G	98.5	Very high	97.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.5	179.1	0	0	0	0	0	110.9	P101	G76-P101 PolarHBondContact N-O 3.13Å; G76-P101 WeakPolarHBondContact O-CD 3.39Å
77	V	98.7	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	110	171.3	-179.9	0	0	0	0	107.2	M79 V88 L100 L139 L168 Y169 V171 L209 L213	V77-M79 HydrophobicContact CG1-CG 4.31Å; V77-M79 HydrophobicContact CG1-SD 4.04Å; V77-V88 HydrophobicContact CG1-CG1 4.1Å; V77-V88 HydrophobicContact CG1-CG2 4.44Å; V77-L100 HydrophobicContact CG2-CD1 3.82Å; V77-L100 HydrophobicContact CG2-CD2 4.02Å; V77-L139 HydrophobicContact CB-CD1 3.58Å; V77-L139 HydrophobicContact CG1-CD1 3.97Å; V77-L139 HydrophobicContact CG2-CD1 3.52Å; V77-L168 HydrophobicContact CG2-CD2 4.42Å; V77-Y169 PolarHBondContact N-O 3.15Å; V77-V171 PolarHBondContact O-N 3Å; V77-L209 HydrophobicContact CG1-CD1 4.41Å; V77-L209 HydrophobicContact CG2-CD1 4.24Å; V77-L209 HydrophobicContact CG2-CD2 3.74Å; V77-L213 HydrophobicContact CG1-CD1 4.47Å; V77-L213 HydrophobicContact CG1-CD2 4.38Å
78	L	98.4	Very high	97.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	133.3	176.2	-51	99.5	0	0	0	108.6	L89 P101 L119 L123 W133 V171 L173	L78-L89 HydrophobicContact CB-CB 4.3Å; L78-L89 HydrophobicContact CB-CD1 4.12Å; L78-L89 HydrophobicContact CB-CG 4.4Å; L78-L89 PolarHBondContact O-N 2.81Å; L78-P101 HydrophobicContact CD1-CG 3.27Å; L78-L119 HydrophobicContact CD1-CD2 4.32Å; L78-L123 HydrophobicContact CD1-CD1 4.49Å; L78-W133 HydrophobicContact CD2-CE3 4.26Å; L78-W133 HydrophobicContact CD2-CH2 4.16Å; L78-W133 HydrophobicContact CD2-CZ3 3.49Å; L78-W133 VanDerWaalsContact CD2-CZ3 3.49Å; L78-V171 HydrophobicContact CD2-CB 4.39Å; L78-V171 HydrophobicContact CD2-CG1 4.28Å; L78-V171 HydrophobicContact CG-CB 4.19Å; L78-L173 HydrophobicContact CB-CD1 4.14Å; L78-L173 HydrophobicContact CB-CD2 4.49Å; L78-L173 HydrophobicContact CB-CG 4.29Å; L78-L173 HydrophobicContact CD2-CD2 3.51Å; L78-L173 HydrophobicContact CD2-CG 4.19Å
79	M	98.1	Very high	98.1	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.03	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	138.9	-172.4	-64.6	-67.8	-60	0	0	110.6	L33 V77 P86 H87 V88 L170 V192 L213 F218	L33-M79 HydrophobicContact CD2-CB 3.4Å; L33-M79 HydrophobicContact CD2-CG 4.49Å; V77-M79 HydrophobicContact CG1-CG 4.31Å; V77-M79 HydrophobicContact CG1-SD 4.04Å; M79-P86 HydrophobicContact CE-CB 3.58Å; M79-H87 WeakPolarHBondContact CA-O 3.3Å; M79-V88 HydrophobicContact CE-CG2 4.32Å; M79-V88 HydrophobicContact SD-CB 4.22Å; M79-V88 HydrophobicContact SD-CG2 3.47Å; M79-V88 WeakPolarHBondContact SD-CG2 3.5Å; M79-L170 HydrophobicContact CG-CD1 3.81Å; M79-V192 HydrophobicContact CE-CG1 4.25Å; M79-L213 HydrophobicContact CE-CD1 3.97Å; M79-L213 HydrophobicContact CG-CD2 4.47Å; M79-L213 HydrophobicContact SD-CD1 3.62Å; M79-L213 HydrophobicContact SD-CD2 4.32Å; M79-F218 HydrophobicContact CE-CZ 4.46Å
80	V	98.4	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	176.9	170.5	-57.2	0	0	0	0	108.5	L36 Y39 P86 H87 L89 L173 A189	L36-V80 HydrophobicContact CB-CG2 4.21Å; L36-V80 HydrophobicContact CD1-CG2 4.01Å; Y39-V80 HydrophobicContact CD2-CB 4.42Å; Y39-V80 HydrophobicContact CD2-CG1 3.62Å; Y39-V80 HydrophobicContact CE2-CB 4.04Å; Y39-V80 HydrophobicContact CE2-CG1 3.31Å; V80-P86 WeakPolarHBondContact O-CA 2.93Å; V80-H87 HydrophobicContact CG2-CB 3.91Å; V80-H87 PolarHBondContact N-O 2.97Å; V80-H87 PolarHBondContact O-N 3.44Å; V80-L89 HydrophobicContact CG1-CD1 4.13Å; V80-L89 HydrophobicContact CG1-CD2 4.19Å; V80-L89 HydrophobicContact CG1-CG 4.21Å; V80-L89 HydrophobicContact CG2-CD2 3.99Å; V80-L173 HydrophobicContact CG1-CD1 3.82Å; V80-A189 HydrophobicContact CG2-CB 4.31Å
81	H	98.5	Very high	98.2	Very high	11 Å²	11	28.4 Å²	28.4	5%	0.051	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	155	167.4	78.2	94.4	0	0	0	112.9	L33 Y34 P35 L36 L85 Y220 I221	L33-H81 VanDerWaalsContact C-CD2 3.44Å; L33-H81 HydrophobicContact CB-CB 4.2Å; L33-H81 HydrophobicContact CD1-CB 4.46Å; L33-H81 PolarHBondContact O-CD2 3.5Å; L33-H81 PolarHBondContact O-NE2 3.12Å; Y34-H81 PolarHBondContact O-CD2 3.06Å; Y34-H81 PolarHBondContact O-N 3.01Å; P35-H81 CarbonylContact C-O 3.58Å; P35-H81 VanDerWaalsContact CA-O 3.31Å; P35-H81 WeakPolarHBondContact CA-O 3.48Å; L36-H81 PolarHBondContact N-O 3.33Å; H81-L85 VanDerWaalsContact CA-O 3.24Å; H81-L85 WeakPolarHBondContact CA-O 3.08Å; H81-L85 WeakPolarHBondContact CB-O 3.34Å; H81-Y220 HydrophobicContact CB-CD1 3.57Å; H81-Y220 HydrophobicContact CB-CE1 3.98Å; H81-Y220 AromaticContact CG-CD1 3.68Å; H81-I221 PolarHBondContact CE1-O 2.86Å; H81-I221 PolarHBondContact NE2-O 3.07Å
82	E	97.7	Very high	98.1	Very high	82 Å²	82	29.2 Å²	29.2	38%	0.383	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128.2	167.3	-163.3	-174.4	163.2	0	0	106.9	N84 L85	E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 2.89Å; E82-L85 PolarHBondContact N-O 2.79Å; E82-L85 VanDerWaalsContact O-CB 3.3Å; E82-L85 WeakPolarHBondContact O-CB 3.45Å; E82-L85 PolarHBondContact O-N 2.95Å
83	H	96.5	Very high	97.8	Very high	167 Å²	167	28 Å²	28	77%	0.773	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	40.1	-175.1	-51.9	106.7	0	0	0	113.9	L85	H83-L85 PolarHBondContact O-N 3.29Å
84	N	96.1	Very high	97.4	Very high	106 Å²	106	30.4 Å²	30.4	57%	0.567	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	24	-175.6	-55.7	-34	0	0	0	114.2	E82 Y220	E82-N84 VanDerWaalsContact C-N 3.27Å; E82-N84 PolarHBondContact O-N 2.89Å; N84-Y220 HydrophobicContact CB-CD1 4.28Å; N84-Y220 HydrophobicContact CB-CD2 4.36Å; N84-Y220 HydrophobicContact CB-CG 4.09Å; N84-Y220 WeakPolarHBondContact O-CE1 3.22Å; N84-Y220 WeakPolarHBondContact OD1-CB 3.39Å
85	L	97.6	Very high	96.8	Very high	56 Å²	56	35.1 Å²	35.1	29%	0.293	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.2	172.6	-174.2	76.7	0	0	0	109.3	H81 E82 H83 H87 P191 F193	H81-L85 VanDerWaalsContact CA-O 3.24Å; H81-L85 WeakPolarHBondContact CA-O 3.08Å; H81-L85 WeakPolarHBondContact CB-O 3.34Å; E82-L85 PolarHBondContact N-O 2.79Å; E82-L85 VanDerWaalsContact O-CB 3.3Å; E82-L85 WeakPolarHBondContact O-CB 3.45Å; E82-L85 PolarHBondContact O-N 2.95Å; H83-L85 PolarHBondContact O-N 3.29Å; L85-H87 PolarHBondContact O-CE1 3.01Å; L85-H87 PolarHBondContact O-ND1 2.92Å; L85-P191 HydrophobicContact CD2-CB 3.63Å; L85-F193 HydrophobicContact CD1-CD1 4.29Å; L85-F193 HydrophobicContact CD2-CD1 3.64Å; L85-F193 HydrophobicContact CD2-CE1 3.34Å
86	P	98.4	Very high	96.4	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	136.2	-179.7	27.9	-29.8	0	0	0	110.6	L33 M79 V80 V192 Y220	L33-P86 HydrophobicContact CD1-CB 3.75Å; M79-P86 HydrophobicContact CE-CB 3.58Å; V80-P86 WeakPolarHBondContact O-CA 2.93Å; P86-V192 HydrophobicContact CB-CG1 4.29Å; P86-V192 HydrophobicContact CG-CG1 4.09Å; P86-V192 HydrophobicContact CG-CG2 3.79Å; P86-V192 PolarHBondContact O-N 3.46Å; P86-V192 VanDerWaalsContact O-N 3.15Å; P86-Y220 HydrophobicContact CB-CE1 4.45Å; P86-Y220 WeakPolarHBondContact CD-OH 3.35Å
87	H	98.7	Very high	96.1	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.069	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.4	177.3	-67.4	66.6	0	0	0	110	M79 V80 L85 A189 A190 P191	M79-H87 WeakPolarHBondContact CA-O 3.3Å; V80-H87 HydrophobicContact CG2-CB 3.91Å; V80-H87 PolarHBondContact N-O 2.97Å; V80-H87 PolarHBondContact O-N 3.44Å; L85-H87 PolarHBondContact O-CE1 3.01Å; L85-H87 PolarHBondContact O-ND1 2.92Å; H87-A189 HydrophobicContact CB-CB 3.98Å; H87-A190 CarbonylContact C-O 3.55Å; H87-A190 VanDerWaalsContact CA-O 3.29Å; H87-A190 WeakPolarHBondContact CA-O 3.16Å; H87-P191 VanDerWaalsContact CD2-CA 3.46Å; H87-P191 WeakPolarHBondContact CD2-CA 3.49Å; H87-P191 WeakPolarHBondContact NE2-CB 3.19Å
88	V	98.7	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.1	171.9	-179.7	0	0	0	0	108.6	V77 M79 L90 L100 A190 L195 L209 L213	V77-V88 HydrophobicContact CG1-CG1 4.1Å; V77-V88 HydrophobicContact CG1-CG2 4.44Å; M79-V88 HydrophobicContact CE-CG2 4.32Å; M79-V88 HydrophobicContact SD-CB 4.22Å; M79-V88 HydrophobicContact SD-CG2 3.47Å; M79-V88 WeakPolarHBondContact SD-CG2 3.5Å; V88-L90 HydrophobicContact CG1-CD2 3.76Å; V88-L90 HydrophobicContact CG1-CG 4.21Å; V88-L100 HydrophobicContact CG1-CD2 4.01Å; V88-A190 PolarHBondContact N-O 3.15Å; V88-A190 PolarHBondContact O-N 2.96Å; V88-L195 HydrophobicContact CB-CD1 3.92Å; V88-L195 HydrophobicContact CG2-CD1 3.65Å; V88-L209 HydrophobicContact CG1-CD1 4.04Å; V88-L209 HydrophobicContact CG2-CD1 4.19Å; V88-L213 HydrophobicContact CG2-CD1 4.1Å
89	L	98.4	Very high	95.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122.7	170.5	-59.5	-176.7	0	0	0	110.5	L78 V80 L173 F179 L187 V188 A189	L78-L89 HydrophobicContact CB-CB 4.3Å; L78-L89 HydrophobicContact CB-CD1 4.12Å; L78-L89 HydrophobicContact CB-CG 4.4Å; L78-L89 PolarHBondContact O-N 2.81Å; V80-L89 HydrophobicContact CG1-CD1 4.13Å; V80-L89 HydrophobicContact CG1-CD2 4.19Å; V80-L89 HydrophobicContact CG1-CG 4.21Å; V80-L89 HydrophobicContact CG2-CD2 3.99Å; L89-L173 HydrophobicContact CD1-CD1 4.07Å; L89-F179 HydrophobicContact CD1-CE2 4.03Å; L89-F179 HydrophobicContact CD1-CZ 4.33Å; L89-L187 HydrophobicContact CB-CD1 4.17Å; L89-V188 CarbonylContact C-O 3.53Å; L89-V188 WeakPolarHBondContact CA-O 3.11Å; L89-A189 HydrophobicContact CD2-CB 3.94Å
90	L	98.4	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.5	-179.6	-61	179.5	0	0	0	111.3	V88 F98 L100 L187 V188 A190 L195 Y202 I206	V88-L90 HydrophobicContact CG1-CD2 3.76Å; V88-L90 HydrophobicContact CG1-CG 4.21Å; L90-F98 HydrophobicContact CB-CD1 4.43Å; L90-F98 HydrophobicContact CD1-CB 4.36Å; L90-F98 HydrophobicContact CD1-CD1 4.41Å; L90-L100 HydrophobicContact CD2-CD2 3.62Å; L90-L100 HydrophobicContact CD2-CG 4.25Å; L90-L187 WeakPolarHBondContact O-CA 3.22Å; L90-V188 HydrophobicContact CB-CG2 3.98Å; L90-V188 PolarHBondContact N-O 3.44Å; L90-V188 WeakPolarHBondContact O-CG2 3.41Å; L90-V188 PolarHBondContact O-N 3.2Å; L90-A190 HydrophobicContact CD1-CB 3.81Å; L90-A190 HydrophobicContact CG-CB 4.41Å; L90-L195 HydrophobicContact CD1-CD2 4Å; L90-Y202 HydrophobicContact CD1-CD1 3.9Å; L90-Y202 HydrophobicContact CD1-CE1 3.78Å; L90-I206 HydrophobicContact CD1-CG2 3.99Å; L90-I206 HydrophobicContact CD2-CD1 4.13Å; L90-I206 HydrophobicContact CD2-CG2 4.11Å
91	L	97.1	Very high	95.8	Very high	7 Å²	7	48 Å²	48	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.8	168.3	-65.9	168.5	0	0	0	109.2	F98 R99 P101 C122 L123 Y185 L187	L91-F98 CarbonylContact O-C 3.59Å; L91-F98 WeakPolarHBondContact O-CA 3.34Å; L91-R99 PolarHBondContact N-O 2.83Å; L91-R99 PolarHBondContact O-N 3.45Å; L91-P101 HydrophobicContact CD1-CB 3.99Å; L91-C122 VanDerWaalsContact CD1-SG 3.53Å; L91-L123 HydrophobicContact CD2-CD2 4.21Å; L91-Y185 HydrophobicContact CB-CD1 3.84Å; L91-Y185 HydrophobicContact CB-CE1 4.21Å; L91-Y185 HydrophobicContact CB-CG 4.48Å; L91-Y185 HydrophobicContact CD2-CG 4.4Å; L91-L187 HydrophobicContact CD2-CD1 3.96Å; L91-L187 HydrophobicContact CG-CD1 4.43Å
92	Q	96.4	Very high	95.8	Very high	36 Å²	36	48.7 Å²	48.7	17%	0.168	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126	174.6	-174.3	-175.2	27.6	0	0	110.3	S95 F97 F98 Y185 K186 V188	Q92-S95 PolarHBondContact NE2-O 3.28Å; Q92-S95 VanDerWaalsContact NE2-O 3.1Å; Q92-F97 WeakPolarHBondContact CA-O 3.42Å; Q92-F98 HydrophobicContact CB-CD1 3.94Å; Q92-F98 HydrophobicContact CB-CE1 3.83Å; Q92-F98 HydrophobicContact CG-CD1 4.05Å; Q92-F98 HydrophobicContact CG-CE1 3.6Å; Q92-F98 HydrophobicContact CG-CZ 4.1Å; Q92-Y185 WeakPolarHBondContact O-CA 3.33Å; Q92-K186 HydrophobicContact CB-CB 4.32Å; Q92-K186 PolarHBondContact N-O 3.42Å; Q92-K186 PolarHBondContact O-N 2.85Å; Q92-V188 HydrophobicContact CB-CG1 4.31Å; Q92-V188 HydrophobicContact CB-CG2 4.45Å
93	L	92.4	Very high	95.8	Very high	52 Å²	52	45.8 Å²	45.8	27%	0.272	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.3	171.6	-173.8	63.5	0	0	0	109	F97 N184 Y185	L93-F97 HydrophobicContact CB-CB 4.49Å; L93-F97 HydrophobicContact CB-CD1 3.92Å; L93-F97 HydrophobicContact CD2-CD1 4.22Å; L93-F97 HydrophobicContact CD2-CE1 4.47Å; L93-F97 PolarHBondContact N-O 2.97Å; L93-F97 WeakPolarHBondContact O-CB 3.38Å; L93-N184 VanDerWaalsContact CD1-O 3.27Å; L93-N184 WeakPolarHBondContact CD1-O 3.37Å; L93-Y185 HydrophobicContact CB-CD1 4.08Å; L93-Y185 HydrophobicContact CB-CE1 3.72Å; L93-Y185 HydrophobicContact CD1-CD1 4.38Å; L93-Y185 HydrophobicContact CD1-CE1 4.15Å; L93-Y185 HydrophobicContact CD2-CE1 4.4Å; L93-Y185 HydrophobicContact CG-CE1 4.31Å
94	G	90.1	Very high	95.9	Very high	61 Å²	61	39.4 Å²	39.4	63%	0.629	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	-137.5	-173	0	0	0	0	0	111.7
95	S	88.1	Confident	96	Very high	100 Å²	100	35.2 Å²	35.2	70%	0.699	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-37.3	-175.5	53.8	0	0	0	0	114.5	Q92	Q92-S95 PolarHBondContact NE2-O 3.28Å; Q92-S95 VanDerWaalsContact NE2-O 3.1Å
96	S	88.8	Confident	95.9	Very high	91 Å²	91	36.6 Å²	36.6	64%	0.636	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.1	3.2	-167.1	57.8	0	0	0	0	114.8
97	F	92.8	Very high	95.7	Very high	91 Å²	91	40.1 Å²	40.1	40%	0.399	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	116.1	-173.4	-170	-96.6	0	0	0	111.1	Q92 L93 R99	Q92-F97 WeakPolarHBondContact CA-O 3.42Å; L93-F97 HydrophobicContact CB-CB 4.49Å; L93-F97 HydrophobicContact CB-CD1 3.92Å; L93-F97 HydrophobicContact CD2-CD1 4.22Å; L93-F97 HydrophobicContact CD2-CE1 4.47Å; L93-F97 PolarHBondContact N-O 2.97Å; L93-F97 WeakPolarHBondContact O-CB 3.38Å; F97-R99 HydrophobicContact CD1-CG 4.29Å; F97-R99 HydrophobicContact CE1-CG 3.64Å; F97-R99 VanDerWaalsContact CE1-CZ 3.43Å; F97-R99 VanDerWaalsContact CE1-NH2 3.31Å; F97-R99 HydrophobicContact CZ-CG 4.11Å; F97-R99 VanDerWaalsContact CZ-NH2 3.27Å
98	F	96.8	Very high	95.6	Very high	35 Å²	35	43.1 Å²	43.1	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	142.6	-177.2	-59.9	-87.4	0	0	0	110.6	L90 L91 Q92 V188 Y202 I206	L90-F98 HydrophobicContact CB-CD1 4.43Å; L90-F98 HydrophobicContact CD1-CB 4.36Å; L90-F98 HydrophobicContact CD1-CD1 4.41Å; L91-F98 CarbonylContact O-C 3.59Å; L91-F98 WeakPolarHBondContact O-CA 3.34Å; Q92-F98 HydrophobicContact CB-CD1 3.94Å; Q92-F98 HydrophobicContact CB-CE1 3.83Å; Q92-F98 HydrophobicContact CG-CD1 4.05Å; Q92-F98 HydrophobicContact CG-CE1 3.6Å; Q92-F98 HydrophobicContact CG-CZ 4.1Å; F98-V188 HydrophobicContact CD1-CG2 4.26Å; F98-V188 HydrophobicContact CE1-CG2 4.09Å; F98-Y202 HydrophobicContact CB-CD1 4.09Å; F98-Y202 HydrophobicContact CB-CE1 4.38Å; F98-Y202 HydrophobicContact CD1-CE1 4.06Å; F98-Y202 AromaticContact CD2-CD1 3.9Å; F98-Y202 HydrophobicContact CD2-CD1 3.9Å; F98-Y202 AromaticContact CD2-CE1 3.76Å; F98-Y202 HydrophobicContact CD2-CE1 3.76Å; F98-Y202 HydrophobicContact CE1-CE1 4.26Å; F98-Y202 AromaticContact CE2-CE1 3.99Å; F98-Y202 HydrophobicContact CE2-CE1 3.99Å; F98-Y202 AromaticContact CG-CD1 3.95Å; F98-Y202 HydrophobicContact CG-CD1 3.95Å; F98-Y202 AromaticContact CG-CE1 3.8Å; F98-Y202 HydrophobicContact CG-CE1 3.8Å; F98-Y202 HydrophobicContact CZ-CE1 4.23Å; F98-I206 HydrophobicContact CB-CD1 4.31Å
99	R	96.1	Very high	95.5	Very high	77 Å²	77	45 Å²	45	29%	0.291	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.8	174.4	-67.3	-167.7	-179.2	159.1	18.4	111.1	E49 L91 F97	E49-R99 IonicContact OE1-CZ 3.87Å; E49-R99 IonicContact OE1-NH1 3.63Å; E49-R99 PolarHBondContact OE1-NH1 3.37Å; E49-R99 IonicContact OE2-CZ 3.21Å; E49-R99 IonicContact OE2-NH1 2.99Å; E49-R99 PolarHBondContact OE2-NH1 2.97Å; E49-R99 IonicContact OE2-NH2 2.8Å; E49-R99 PolarHBondContact OE2-NH2 3.18Å; L91-R99 PolarHBondContact N-O 2.83Å; L91-R99 PolarHBondContact O-N 3.45Å; F97-R99 HydrophobicContact CD1-CG 4.29Å; F97-R99 HydrophobicContact CE1-CG 3.64Å; F97-R99 VanDerWaalsContact CE1-CZ 3.43Å; F97-R99 VanDerWaalsContact CE1-NH2 3.31Å; F97-R99 HydrophobicContact CZ-CG 4.11Å; F97-R99 VanDerWaalsContact CZ-NH2 3.27Å
100	L	98.2	Very high	95.5	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.031	31%	0.309	C	S	.	.			trans	-77.8	147.3	160.9	-69.1	168.7	0	0	0	109.5	E75 V77 V88 L90 L168 L205 I206 L209	E75-L100 HydrophobicContact CB-CB 3.93Å; E75-L100 HydrophobicContact CB-CD1 4.07Å; E75-L100 HydrophobicContact CG-CB 4.35Å; V77-L100 HydrophobicContact CG2-CD1 3.82Å; V77-L100 HydrophobicContact CG2-CD2 4.02Å; V88-L100 HydrophobicContact CG1-CD2 4.01Å; L90-L100 HydrophobicContact CD2-CD2 3.62Å; L90-L100 HydrophobicContact CD2-CG 4.25Å; L100-L168 HydrophobicContact CD1-CD2 3.97Å; L100-L168 HydrophobicContact CD1-CG 4.36Å; L100-L205 HydrophobicContact CD1-CD2 3.81Å; L100-I206 HydrophobicContact CG-CG1 4.36Å; L100-L209 HydrophobicContact CD1-CD1 4.38Å; L100-L209 HydrophobicContact CD2-CD1 4.25Å
101	P	97	Very high	95.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	31%	0.31	C	S	.	.	S	Bend	trans	-65.6	140.8	169	30.4	-35.4	0	0	0	110	G76 L78 L91 L119 L123	G76-P101 PolarHBondContact N-O 3.13Å; G76-P101 WeakPolarHBondContact O-CD 3.39Å; L78-P101 HydrophobicContact CD1-CG 3.27Å; L91-P101 HydrophobicContact CD1-CB 3.99Å; P101-L119 HydrophobicContact CB-CD2 3.81Å; P101-L119 HydrophobicContact CG-CD2 3.83Å; P101-L123 HydrophobicContact CB-CD1 4.11Å; P101-L123 HydrophobicContact CG-CD1 4.18Å
102	G	97.6	Very high	95.5	Very high	26 Å²	26	51.1 Å²	51.1	27%	0.268	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-159.8	-171.1	0	0	0	0	0	111.4	V74	V74-G102 CarbonylContact O-C 3.55Å; V74-G102 VanDerWaalsContact O-CA 3.24Å; V74-G102 WeakPolarHBondContact O-CA 3.2Å
103	G	97.4	Very high	95.6	Very high	20 Å²	20	54.3 Å²	54.3	21%	0.206	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-162.8	-176.7	0	0	0	0	0	114.7	T73 V74	T73-G103 CarbonylContact C-O 3.59Å; T73-G103 WeakPolarHBondContact CA-O 3.19Å; T73-G103 WeakPolarHBondContact CG2-O 3.49Å; V74-G103 PolarHBondContact N-O 3.49Å; V74-G103 PolarHBondContact O-N 3.15Å
104	E	97.9	Very high	95.8	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.154	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	134.2	-175.7	-63.9	168.6	-179.3	0	0	110.1	R50 R60 R71	R50-E104 IonicContact CZ-OE2 2.83Å; R50-E104 IonicContact NH1-OE2 3.39Å; R50-E104 PolarHBondContact NH1-OE2 2.89Å; R60-E104 IonicContact CZ-OE1 2.86Å; R60-E104 IonicContact CZ-OE2 2.7Å; R60-E104 IonicContact NH1-OE1 3.37Å; R60-E104 PolarHBondContact NH1-OE1 3Å; R60-E104 IonicContact NH1-OE2 3.86Å; R60-E104 PolarHBondContact NH1-OE2 3.23Å; R60-E104 IonicContact NH2-OE1 2.97Å; R60-E104 PolarHBondContact NH2-OE1 2.76Å; R60-E104 IonicContact NH2-OE2 2.72Å; R71-E104 HydrophobicContact CG-CG 4.39Å; R71-E104 IonicContact CZ-OE1 3.96Å; R71-E104 IonicContact NE-OE1 2.84Å; R71-E104 IonicContact NH1-OE1 4Å; R71-E104 PolarHBondContact NH1-OE1 3.2Å; R71-E104 IonicContact NH2-OE1 3.78Å
105	L	98.3	Very high	96.2	Very high	18 Å²	18	48.9 Å²	48.9	9%	0.094	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-79.1	147.5	172.3	-65.7	-178.9	0	0	0	110.9	R72 V74 E109 S111 L118	R72-L105 HydrophobicContact CB-CB 4.19Å; R72-L105 HydrophobicContact CB-CD1 4Å; R72-L105 HydrophobicContact CB-CG 4.41Å; R72-L105 PolarHBondContact O-N 3.49Å; V74-L105 HydrophobicContact CG1-CD1 3.77Å; V74-L105 HydrophobicContact CG1-CD2 4.09Å; V74-L105 HydrophobicContact CG1-CG 3.98Å; V74-L105 HydrophobicContact CG2-CD2 3.64Å; V74-L105 HydrophobicContact CG2-CG 4.16Å; L105-E109 WeakPolarHBondContact CA-OE2 3.49Å; L105-E109 HydrophobicContact CB-CB 4.38Å; L105-E109 HydrophobicContact CD2-CG 4.43Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.44Å; L105-S111 WeakPolarHBondContact CD1-OG 3.34Å; L105-L118 HydrophobicContact CD2-CD1 4.46Å
106	E	96.5	Very high	96.7	Very high	85 Å²	85	46.7 Å²	46.7	40%	0.397	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-72.5	157	168.8	-66.3	-57.5	150.5	0	0	111.4	G108 E109	E106-G108 PolarHBondContact O-N 2.88Å; E106-E109 HydrophobicContact CB-CB 4.18Å; E106-E109 PolarHBondContact N-OE2 2.8Å; E106-E109 WeakPolarHBondContact O-CB 3.29Å; E106-E109 PolarHBondContact O-N 3.18Å
107	P	94.8	Very high	97	Very high	88 Å²	88	46.1 Å²	46.1	57%	0.571	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	125.6	177.9	-26.3	36.7	0	0	0	112	E109	P107-E109 PolarHBondContact O-N 2.81Å
108	G	95	Very high	97.2	Very high	78 Å²	78	42.3 Å²	42.3	80%	0.804	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	-2	-178.7	0	0	0	0	0	115.1	E106	E106-G108 PolarHBondContact O-N 2.88Å
109	E	97.9	Very high	97.2	Very high	40 Å²	40	40.7 Å²	40.7	19%	0.187	23%	0.231	C	C	.	.			trans	-66.4	140	179.3	-165.9	177.1	-148.3	0	0	111.3	R72 L105 E106 P107 G114 R117	R72-E109 VanDerWaalsContact CZ-O 3.32Å; R72-E109 PolarHBondContact NH1-O 2.69Å; R72-E109 PolarHBondContact NH2-O 3.23Å; L105-E109 WeakPolarHBondContact CA-OE2 3.49Å; L105-E109 HydrophobicContact CB-CB 4.38Å; L105-E109 HydrophobicContact CD2-CG 4.43Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.44Å; E106-E109 HydrophobicContact CB-CB 4.18Å; E106-E109 PolarHBondContact N-OE2 2.8Å; E106-E109 WeakPolarHBondContact O-CB 3.29Å; E106-E109 PolarHBondContact O-N 3.18Å; P107-E109 PolarHBondContact O-N 2.81Å; E109-G114 VanDerWaalsContact CD-CA 3.45Å; E109-G114 WeakPolarHBondContact OE1-CA 3.31Å; E109-R117 IonicContact OE1-CZ 3.8Å; E109-R117 IonicContact OE1-NE 2.81Å; E109-R117 PolarHBondContact OE1-NE 3.43Å; E109-R117 IonicContact OE1-NH2 2.86Å; E109-R117 PolarHBondContact OE1-NH2 3.22Å; E109-R117 IonicContact OE2-CZ 3.94Å; E109-R117 IonicContact OE2-NE 3.99Å; E109-R117 IonicContact OE2-NH2 3.29Å; E109-R117 PolarHBondContact OE2-NH2 3.18Å
110	D	98.1	Very high	97.1	Very high	89 Å²	89	39.6 Å²	39.6	48%	0.476	23%	0.233	S	C	.	.			trans	-66.7	144.2	170.6	175.3	-103.3	0	0	0	110.3	V112 E113 G114	D110-V112 WeakPolarHBondContact OD1-CA 3.48Å; D110-V112 WeakPolarHBondContact OD1-CB 3.46Å; D110-V112 PolarHBondContact OD1-N 2.91Å; D110-E113 HydrophobicContact CB-CB 4.26Å; D110-E113 HydrophobicContact CB-CG 4.4Å; D110-E113 PolarHBondContact OD1-N 2.84Å; D110-G114 PolarHBondContact O-N 3.37Å
111	S	98	Very high	96.8	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.028	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-34.9	-175.7	-76.6	0	0	0	0	113.9	R72 L105 L115 R167 Y169	R72-S111 PolarHBondContact NH2-OG 3.3Å; L105-S111 WeakPolarHBondContact CD1-OG 3.34Å; S111-L115 WeakPolarHBondContact O-CB 3.11Å; S111-L115 PolarHBondContact O-N 3.04Å; S111-L115 VanDerWaalsContact O-N 3.15Å; S111-R167 PolarHBondContact OG-NH1 2.81Å; S111-Y169 WeakPolarHBondContact CB-OH 3.49Å
112	V	97.8	Very high	96.7	Very high	43 Å²	43	44.2 Å²	44.2	26%	0.261	26%	0.255	S	S	.	.	H	α-helix	trans	-76	-50.1	-180	172.3	0	0	0	0	109.2	D110 G114 L115 K116 V135	D110-V112 WeakPolarHBondContact OD1-CA 3.48Å; D110-V112 WeakPolarHBondContact OD1-CB 3.46Å; D110-V112 PolarHBondContact OD1-N 2.91Å; V112-G114 VanDerWaalsContact C-N 3.33Å; V112-G114 PolarHBondContact O-N 2.98Å; V112-L115 WeakPolarHBondContact O-CB 3.34Å; V112-L115 PolarHBondContact O-N 2.78Å; V112-L115 VanDerWaalsContact O-N 3.1Å; V112-K116 WeakPolarHBondContact O-CG 3.39Å; V112-K116 PolarHBondContact O-N 2.92Å; V112-V135 HydrophobicContact CG1-CB 3.93Å; V112-V135 HydrophobicContact CG1-CG1 4.4Å; V112-V135 HydrophobicContact CG1-CG2 3.93Å; V112-V135 HydrophobicContact CG2-CG1 4.41Å
113	E	97.6	Very high	96.5	Very high	102 Å²	102	43 Å²	43	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-39.6	179.9	-63.8	-55.1	124.6	0	0	112.2	D110 L115 K116 R117	D110-E113 HydrophobicContact CB-CB 4.26Å; D110-E113 HydrophobicContact CB-CG 4.4Å; D110-E113 PolarHBondContact OD1-N 2.84Å; E113-L115 VanDerWaalsContact C-N 3.34Å; E113-L115 PolarHBondContact O-N 3.23Å; E113-K116 PolarHBondContact O-N 3.14Å; E113-K116 IonicContact OE1-NZ 2.79Å; E113-K116 PolarHBondContact OE1-NZ 2.87Å; E113-K116 IonicContact OE2-NZ 3.13Å; E113-R117 PolarHBondContact O-N 2.87Å
114	G	97.8	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-35.8	173.7	0	0	0	0	0	113	E109 D110 V112 R117 L118	E109-G114 VanDerWaalsContact CD-CA 3.45Å; E109-G114 WeakPolarHBondContact OE1-CA 3.31Å; D110-G114 PolarHBondContact O-N 3.37Å; V112-G114 VanDerWaalsContact C-N 3.33Å; V112-G114 PolarHBondContact O-N 2.98Å; G114-R117 PolarHBondContact O-N 3.24Å; G114-L118 WeakPolarHBondContact O-CB 3.14Å; G114-L118 WeakPolarHBondContact O-CD1 3.46Å; G114-L118 WeakPolarHBondContact O-CG 3.28Å; G114-L118 PolarHBondContact O-N 3.03Å
115	L	98.3	Very high	95.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-47	172.5	178.5	62.2	0	0	0	111	V74 S111 V112 E113 R117 L118 L119 V135 Y169 V171	V74-L115 HydrophobicContact CB-CB 4.26Å; V74-L115 HydrophobicContact CB-CD1 4.38Å; V74-L115 HydrophobicContact CG2-CB 3.8Å; V74-L115 HydrophobicContact CG2-CD1 4.07Å; S111-L115 WeakPolarHBondContact O-CB 3.11Å; S111-L115 PolarHBondContact O-N 3.04Å; S111-L115 VanDerWaalsContact O-N 3.15Å; V112-L115 WeakPolarHBondContact O-CB 3.34Å; V112-L115 PolarHBondContact O-N 2.78Å; V112-L115 VanDerWaalsContact O-N 3.1Å; E113-L115 VanDerWaalsContact C-N 3.34Å; E113-L115 PolarHBondContact O-N 3.23Å; L115-R117 VanDerWaalsContact C-N 3.3Å; L115-R117 PolarHBondContact O-N 3.49Å; L115-L118 PolarHBondContact O-N 2.93Å; L115-L118 VanDerWaalsContact O-N 3.13Å; L115-L119 HydrophobicContact CD1-CD1 4.17Å; L115-L119 HydrophobicContact CD1-CD2 4.33Å; L115-L119 HydrophobicContact CD1-CG 3.95Å; L115-L119 HydrophobicContact CD2-CD1 4.46Å; L115-L119 HydrophobicContact CG-CD1 3.91Å; L115-L119 HydrophobicContact CG-CG 4.15Å; L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 2.74Å; L115-V135 HydrophobicContact CD2-CG1 4.39Å; L115-V135 HydrophobicContact CD2-CG2 4.16Å; L115-Y169 HydrophobicContact CD2-CD2 3.75Å; L115-Y169 HydrophobicContact CD2-CG 3.99Å; L115-V171 HydrophobicContact CD2-CG2 4.15Å
116	K	97.4	Very high	94.1	Very high	53 Å²	53	50.1 Å²	50.1	23%	0.23	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-43.2	177.3	-62.6	-177.4	-178.1	161.9	0	111.7	V112 E113 L119 T120 W133 V135	V112-K116 WeakPolarHBondContact O-CG 3.39Å; V112-K116 PolarHBondContact O-N 2.92Å; E113-K116 PolarHBondContact O-N 3.14Å; E113-K116 IonicContact OE1-NZ 2.79Å; E113-K116 PolarHBondContact OE1-NZ 2.87Å; E113-K116 IonicContact OE2-NZ 3.13Å; K116-L119 PolarHBondContact O-N 3.48Å; K116-T120 WeakPolarHBondContact O-CB 3.03Å; K116-T120 PolarHBondContact O-N 3.06Å; K116-T120 PolarHBondContact O-OG1 3.1Å; K116-W133 HydrophobicContact CB-CB 4.37Å; K116-W133 WeakPolarHBondContact CE-O 3.34Å; K116-W133 HydrophobicContact CG-CB 3.96Å; K116-V135 HydrophobicContact CG-CG2 4.26Å
117	R	96	Very high	92.4	Very high	79 Å²	79	54.7 Å²	54.7	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-58.1	-50.4	173.7	179.1	-176	57.6	69.7	-1.2	111.3	E109 E113 G114 L115 L119 T120 E121	E109-R117 IonicContact OE1-CZ 3.8Å; E109-R117 IonicContact OE1-NE 2.81Å; E109-R117 PolarHBondContact OE1-NE 3.43Å; E109-R117 IonicContact OE1-NH2 2.86Å; E109-R117 PolarHBondContact OE1-NH2 3.22Å; E109-R117 IonicContact OE2-CZ 3.94Å; E109-R117 IonicContact OE2-NE 3.99Å; E109-R117 IonicContact OE2-NH2 3.29Å; E109-R117 PolarHBondContact OE2-NH2 3.18Å; E113-R117 PolarHBondContact O-N 2.87Å; G114-R117 PolarHBondContact O-N 3.24Å; L115-R117 VanDerWaalsContact C-N 3.3Å; L115-R117 PolarHBondContact O-N 3.49Å; R117-L119 PolarHBondContact O-N 3.49Å; R117-T120 PolarHBondContact O-N 3.1Å; R117-E121 IonicContact NH1-OE2 2.85Å; R117-E121 WeakPolarHBondContact O-CB 3.17Å; R117-E121 PolarHBondContact O-N 3.39Å
118	L	96.5	Very high	90.4	Very high	12 Å²	12	54.1 Å²	54.1	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-37.3	-178.5	-72.4	161.8	0	0	0	112.5	V74 L105 G114 L115 C122	V74-L118 HydrophobicContact CG2-CD1 3.58Å; L105-L118 HydrophobicContact CD2-CD1 4.46Å; G114-L118 WeakPolarHBondContact O-CB 3.14Å; G114-L118 WeakPolarHBondContact O-CD1 3.46Å; G114-L118 WeakPolarHBondContact O-CG 3.28Å; G114-L118 PolarHBondContact O-N 3.03Å; L115-L118 PolarHBondContact O-N 2.93Å; L115-L118 VanDerWaalsContact O-N 3.13Å; L118-C122 WeakPolarHBondContact O-CB 3.09Å; L118-C122 PolarHBondContact O-N 2.8Å
119	L	96.2	Very high	88.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-45.1	174.3	-69.4	174.3	0	0	0	111.3	L78 P101 L115 K116 R117 E121 C122 L123 G124 W133 V171	L78-L119 HydrophobicContact CD1-CD2 4.32Å; P101-L119 HydrophobicContact CB-CD2 3.81Å; P101-L119 HydrophobicContact CG-CD2 3.83Å; L115-L119 HydrophobicContact CD1-CD1 4.17Å; L115-L119 HydrophobicContact CD1-CD2 4.33Å; L115-L119 HydrophobicContact CD1-CG 3.95Å; L115-L119 HydrophobicContact CD2-CD1 4.46Å; L115-L119 HydrophobicContact CG-CD1 3.91Å; L115-L119 HydrophobicContact CG-CG 4.15Å; L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 VanDerWaalsContact O-CG 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 2.74Å; K116-L119 PolarHBondContact O-N 3.48Å; R117-L119 PolarHBondContact O-N 3.49Å; L119-E121 PolarHBondContact O-N 2.93Å; L119-C122 PolarHBondContact O-N 3.31Å; L119-L123 PolarHBondContact O-N 2.86Å; L119-G124 PolarHBondContact O-N 3.49Å; L119-W133 HydrophobicContact CB-CD2 3.92Å; L119-W133 HydrophobicContact CB-CG 4.21Å; L119-W133 HydrophobicContact CB-CH2 4.47Å; L119-W133 HydrophobicContact CB-CZ2 3.81Å; L119-W133 HydrophobicContact CD1-CB 4.37Å; L119-W133 HydrophobicContact CD1-CD2 3.92Å; L119-W133 HydrophobicContact CD1-CE3 4.09Å; L119-W133 HydrophobicContact CD1-CG 4.08Å; L119-V171 HydrophobicContact CD1-CG1 4.13Å; L119-V171 HydrophobicContact CD1-CG2 3.93Å
120	T	94.7	Very high	86.9	Confident	55 Å²	55	58.4 Å²	58.4	34%	0.337	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-43.4	176	-53.1	0	0	0	0	111	K116 R117 C122 G124 W133	K116-T120 WeakPolarHBondContact O-CB 3.03Å; K116-T120 PolarHBondContact O-N 3.06Å; K116-T120 PolarHBondContact O-OG1 3.1Å; R117-T120 PolarHBondContact O-N 3.1Å; T120-C122 VanDerWaalsContact C-N 3.32Å; T120-C122 PolarHBondContact O-N 3.43Å; T120-G124 WeakPolarHBondContact O-CA 3.31Å; T120-G124 PolarHBondContact O-N 2.87Å; T120-W133 PolarHBondContact OG1-NE1 2.85Å
121	E	92.8	Very high	85.6	Confident	96 Å²	96	55.8 Å²	55.8	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-41.6	175.5	-174.2	-178.5	165.3	0	0	111.5	K44 M47 R117 L119	K44-E121 PolarHBondContact NZ-O 2.91Å; M47-E121 HydrophobicContact CE-CG 4.05Å; M47-E121 WeakPolarHBondContact CE-OE1 3.5Å; R117-E121 IonicContact NH1-OE2 2.85Å; R117-E121 WeakPolarHBondContact O-CB 3.17Å; R117-E121 PolarHBondContact O-N 3.39Å; L119-E121 PolarHBondContact O-N 2.93Å
122	C	93.8	Very high	85	Confident	8 Å²	8	61.9 Å²	61.9	5%	0.054	33%	0.329	C	S	.	.	H	α-helix	trans	-80.1	-48.5	-175.1	-171.2	0	0	0	0	113.4	K44 L91 L118 L119 T120 P182	K44-C122 WeakPolarHBondContact CE-O 3.48Å; K44-C122 VanDerWaalsContact NZ-C 3.27Å; K44-C122 PolarHBondContact NZ-O 2.7Å; L91-C122 VanDerWaalsContact CD1-SG 3.53Å; L118-C122 WeakPolarHBondContact O-CB 3.09Å; L118-C122 PolarHBondContact O-N 2.8Å; L119-C122 PolarHBondContact O-N 3.31Å; T120-C122 VanDerWaalsContact C-N 3.32Å; T120-C122 PolarHBondContact O-N 3.43Å; C122-P182 VanDerWaalsContact O-CD 3.31Å; C122-P182 WeakPolarHBondContact O-CD 3.33Å; C122-P182 WeakPolarHBondContact O-CG 3.31Å
123	L	94.4	Very high	84.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-117.4	-10.2	-170.2	-63.7	177.7	0	0	0	114	L78 L91 P101 L119 W133 F179 A180 V181 L187	L78-L123 HydrophobicContact CD1-CD1 4.49Å; L91-L123 HydrophobicContact CD2-CD2 4.21Å; P101-L123 HydrophobicContact CB-CD1 4.11Å; P101-L123 HydrophobicContact CG-CD1 4.18Å; L119-L123 PolarHBondContact O-N 2.86Å; L123-W133 HydrophobicContact CB-CH2 4.37Å; L123-W133 HydrophobicContact CB-CZ2 4.38Å; L123-F179 HydrophobicContact CB-CD1 4.17Å; L123-F179 HydrophobicContact CD1-CD1 4.45Å; L123-A180 PolarHBondContact O-N 2.97Å; L123-V181 HydrophobicContact CD2-CG2 4.42Å; L123-L187 HydrophobicContact CD2-CD1 4.45Å; L123-L187 HydrophobicContact CD2-CD2 4.17Å
124	G	91.5	Very high	84.9	Confident	3 Å²	3	58.4 Å²	58.4	3%	0.031	31%	0.314	C	S	.	.			trans	-75.8	153.6	-176.3	0	0	0	0	0	114.9	K44 L119 T120 E131	K44-G124 PolarHBondContact NZ-O 2.9Å; K44-G124 VanDerWaalsContact NZ-O 3.1Å; L119-G124 PolarHBondContact O-N 3.49Å; T120-G124 WeakPolarHBondContact O-CA 3.31Å; T120-G124 PolarHBondContact O-N 2.87Å; G124-E131 VanDerWaalsContact CA-CD 3.49Å; G124-E131 WeakPolarHBondContact CA-OE1 3.38Å; G124-E131 WeakPolarHBondContact CA-OE2 3.24Å
125	Q	83.5	Confident	84.8	Confident	71 Å²	71	59.9 Å²	59.9	33%	0.332	32%	0.323	S	S	.	.			trans	-68.7	146.9	177.8	-61	179.6	30.6	0	0	111.9	E127 A129 L178	Q125-E127 VanDerWaalsContact C-N 3.32Å; Q125-E127 PolarHBondContact O-N 2.89Å; Q125-A129 HydrophobicContact CB-CB 4.48Å; Q125-L178 HydrophobicContact CG-CD2 4.48Å; Q125-L178 PolarHBondContact NE2-O 2.76Å
126	Q	68	Low	84.7	Confident	147 Å²	147	62.6 Å²	62.6	69%	0.687	34%	0.335	S	S	*	.	S	Bend	trans	-71.1	-24.4	-178.7	-73.2	-172.1	-19	0	0	113.6
127	E	60.9	Low	84.6	Confident	181 Å²	181	62 Å²	62	85%	0.846	34%	0.335	S	S	*	.	S	Bend	trans	-114.7	74.1	-169.9	-68.5	-170.3	162.2	0	0	113.1	Q125 A129	Q125-E127 VanDerWaalsContact C-N 3.32Å; Q125-E127 PolarHBondContact O-N 2.89Å; E127-A129 VanDerWaalsContact C-N 3.26Å; E127-A129 PolarHBondContact O-N 2.92Å
128	G	52.8	Low	84.6	Confident	75 Å²	75	60.9 Å²	60.9	77%	0.773	34%	0.336	S	S	*	.	S	Bend	trans	73.5	-0.1	153.2	0	0	0	0	0	117.9	I130	G128-I130 PolarHBondContact O-N 2.92Å; G128-I130 VanDerWaalsContact O-N 3.12Å
129	A	62.7	Low	84.6	Confident	44 Å²	44	61.2 Å²	61.2	36%	0.364	34%	0.338	S	S	.	.			trans	-70.4	106.3	167.4	0	0	0	0	0	108.8	Q125 E127 E131	Q125-A129 HydrophobicContact CB-CB 4.48Å; E127-A129 VanDerWaalsContact C-N 3.26Å; E127-A129 PolarHBondContact O-N 2.92Å; A129-E131 PolarHBondContact O-N 2.91Å; A129-E131 VanDerWaalsContact O-N 3.11Å
130	I	56.6	Low	84.7	Confident	164 Å²	164	62.2 Å²	62.2	84%	0.841	35%	0.345	S	S	*	.			trans	-68.8	107.4	169.2	-59.6	174.1	0	0	0	106.5	G128 D132	G128-I130 PolarHBondContact O-N 2.92Å; G128-I130 VanDerWaalsContact O-N 3.12Å; I130-D132 PolarHBondContact O-N 2.82Å
131	E	70.4	Confident	84.9	Confident	34 Å²	34	62 Å²	62	16%	0.159	34%	0.342	C	S	.	.			trans	-78.6	107	172	-71.8	173.4	175.8	0	0	108.3	G124 A129 W133	G124-E131 VanDerWaalsContact CA-CD 3.49Å; G124-E131 WeakPolarHBondContact CA-OE1 3.38Å; G124-E131 WeakPolarHBondContact CA-OE2 3.24Å; A129-E131 PolarHBondContact O-N 2.91Å; A129-E131 VanDerWaalsContact O-N 3.11Å; E131-W133 HydrophobicContact CB-CD2 4.43Å; E131-W133 HydrophobicContact CB-CZ2 4.29Å; E131-W133 VanDerWaalsContact O-CD1 3.24Å; E131-W133 PolarHBondContact O-N 2.87Å; E131-W133 WeakPolarHBondContact OE2-CZ2 3.41Å; E131-W133 PolarHBondContact OE2-NE1 2.82Å
132	D	86.4	Confident	85.1	Confident	132 Å²	132	58.1 Å²	58.1	71%	0.706	32%	0.323	S	S	*	.			trans	-77.4	77.9	176.6	-168.9	18.9	0	0	0	109.9	I130 V134	I130-D132 PolarHBondContact O-N 2.82Å; D132-V134 PolarHBondContact O-N 2.84Å; D132-V134 VanDerWaalsContact O-N 3.16Å
133	W	95.2	Very high	85.4	Confident	11 Å²	11	60 Å²	60	4%	0.042	33%	0.329	C	S	.	.			trans	-64.7	111.6	178.5	-64.5	107.7	0	0	0	111	L78 K116 L119 T120 L123 E131 V135 V171 L173 F179	L78-W133 HydrophobicContact CD2-CE3 4.26Å; L78-W133 HydrophobicContact CD2-CH2 4.16Å; L78-W133 HydrophobicContact CD2-CZ3 3.49Å; L78-W133 VanDerWaalsContact CD2-CZ3 3.49Å; K116-W133 HydrophobicContact CB-CB 4.37Å; K116-W133 WeakPolarHBondContact CE-O 3.34Å; K116-W133 HydrophobicContact CG-CB 3.96Å; L119-W133 HydrophobicContact CB-CD2 3.92Å; L119-W133 HydrophobicContact CB-CG 4.21Å; L119-W133 HydrophobicContact CB-CH2 4.47Å; L119-W133 HydrophobicContact CB-CZ2 3.81Å; L119-W133 HydrophobicContact CD1-CB 4.37Å; L119-W133 HydrophobicContact CD1-CD2 3.92Å; L119-W133 HydrophobicContact CD1-CE3 4.09Å; L119-W133 HydrophobicContact CD1-CG 4.08Å; T120-W133 PolarHBondContact OG1-NE1 2.85Å; L123-W133 HydrophobicContact CB-CH2 4.37Å; L123-W133 HydrophobicContact CB-CZ2 4.38Å; E131-W133 HydrophobicContact CB-CD2 4.43Å; E131-W133 HydrophobicContact CB-CZ2 4.29Å; E131-W133 VanDerWaalsContact O-CD1 3.24Å; E131-W133 PolarHBondContact O-N 2.87Å; E131-W133 WeakPolarHBondContact OE2-CZ2 3.41Å; E131-W133 PolarHBondContact OE2-NE1 2.82Å; W133-V135 PolarHBondContact O-N 2.8Å; W133-V171 HydrophobicContact CE3-CG1 3.87Å; W133-L173 HydrophobicContact CZ3-CD2 3.96Å; W133-F179 HydrophobicContact CH2-CD1 4.12Å; W133-F179 AromaticContact CH2-CE1 3.71Å; W133-F179 HydrophobicContact CH2-CE1 3.71Å; W133-F179 HydrophobicContact CZ3-CE1 4.07Å
134	V	96.8	Very high	85.6	Confident	62 Å²	62	60 Å²	60	38%	0.376	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.8	176.8	-177.7	0	0	0	0	109.7	D132 E136 V171 Q172	D132-V134 PolarHBondContact O-N 2.84Å; D132-V134 VanDerWaalsContact O-N 3.16Å; V134-E136 HydrophobicContact CG1-CG 4.37Å; V134-V171 CarbonylContact O-C 3.55Å; V134-V171 WeakPolarHBondContact O-CA 3.49Å; V134-Q172 HydrophobicContact CB-CB 4.16Å; V134-Q172 HydrophobicContact CG1-CB 4.2Å; V134-Q172 PolarHBondContact O-N 2.89Å
135	V	96.9	Very high	85.9	Confident	31 Å²	31	60.5 Å²	60.5	19%	0.188	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	109.1	175.8	-175.1	0	0	0	0	109	V112 L115 K116 W133 Y169	V112-V135 HydrophobicContact CG1-CB 3.93Å; V112-V135 HydrophobicContact CG1-CG1 4.4Å; V112-V135 HydrophobicContact CG1-CG2 3.93Å; V112-V135 HydrophobicContact CG2-CG1 4.41Å; L115-V135 HydrophobicContact CD2-CG1 4.39Å; L115-V135 HydrophobicContact CD2-CG2 4.16Å; K116-V135 HydrophobicContact CG-CG2 4.26Å; W133-V135 PolarHBondContact O-N 2.8Å; V135-Y169 HydrophobicContact CG1-CD1 3.87Å; V135-Y169 HydrophobicContact CG1-CG 3.94Å
136	E	94.8	Very high	86.6	Confident	57 Å²	57	60.5 Å²	60.5	27%	0.266	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-48	-169.8	-76.8	-70.1	168.4	0	0	113.3	R29 I31 V134 L170 Q172	R29-E136 IonicContact CZ-OE2 3.6Å; R29-E136 IonicContact NE-OE2 3.69Å; R29-E136 IonicContact NH2-OE1 2.77Å; R29-E136 IonicContact NH2-OE2 3.3Å; R29-E136 PolarHBondContact NH2-OE2 2.81Å; I31-E136 HydrophobicContact CD1-CB 4.17Å; I31-E136 HydrophobicContact CD1-CG 3.96Å; V134-E136 HydrophobicContact CG1-CG 4.37Å; E136-L170 PolarHBondContact N-O 2.84Å; E136-Q172 HydrophobicContact CG-CB 3.57Å
137	D	95.4	Very high	88	Confident	41 Å²	41	55 Å²	55	22%	0.219	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	157.3	-166	-151.4	-39	0	0	0	111.9	Y169 L170 R215 F216	D137-Y169 CarbonylContact O-C 3.52Å; D137-Y169 VanDerWaalsContact O-CA 3.23Å; D137-Y169 WeakPolarHBondContact O-CA 3.36Å; D137-L170 PolarHBondContact O-N 3.02Å; D137-R215 IonicContact OD1-CZ 3.58Å; D137-R215 IonicContact OD1-NH2 3.48Å; D137-R215 PolarHBondContact OD1-NH2 3.42Å; D137-R215 IonicContact OD2-CZ 3.88Å; D137-R215 VanDerWaalsContact OD2-CZ 3.29Å; D137-R215 IonicContact OD2-NH1 2.71Å; D137-R215 PolarHBondContact OD2-NH1 2.92Å; D137-R215 IonicContact OD2-NH2 3.58Å; D137-R215 PolarHBondContact OD2-NH2 3.43Å; D137-F216 HydrophobicContact CB-CE1 4.11Å; D137-F216 HydrophobicContact CB-CZ 4.04Å
138	T	96.9	Very high	89.7	Confident	54 Å²	54	51.3 Å²	51.3	33%	0.331	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.3	169.9	-56.6	0	0	0	0	109.5	Y169 R215	T138-Y169 HydrophobicContact CG2-CE1 4.5Å; T138-Y169 VanDerWaalsContact OG1-CE1 3.31Å; T138-Y169 WeakPolarHBondContact OG1-CE1 3.3Å; T138-R215 PolarHBondContact O-NH2 3.27Å
139	L	96.8	Very high	91.7	Very high	19 Å²	19	52 Å²	52	10%	0.099	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-48.8	-179.4	-67.4	178.5	0	0	0	112.5	V77 L168 L170 A212 L213 F216	V77-L139 HydrophobicContact CB-CD1 3.58Å; V77-L139 HydrophobicContact CG1-CD1 3.97Å; V77-L139 HydrophobicContact CG2-CD1 3.52Å; L139-L168 HydrophobicContact CB-CB 4.16Å; L139-L168 PolarHBondContact N-O 3.48Å; L139-L170 HydrophobicContact CD1-CB 4.07Å; L139-L170 HydrophobicContact CD2-CB 4.02Å; L139-L170 HydrophobicContact CG-CB 4Å; L139-A212 HydrophobicContact CB-CB 4.47Å; L139-L213 HydrophobicContact CD1-CD2 4.01Å; L139-L213 HydrophobicContact CD2-CD2 4.03Å; L139-F216 HydrophobicContact CD2-CD2 4.47Å; L139-F216 HydrophobicContact CD2-CE2 3.31Å; L139-F216 HydrophobicContact CD2-CZ 3.65Å
140	S	97.4	Very high	93.3	Very high	22 Å²	22	52.8 Å²	52.8	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	164.4	-178.8	66.4	0	0	0	0	112.5	W142 L168	S140-W142 PolarHBondContact OG-NE1 3.37Å; S140-W142 VanDerWaalsContact OG-NE1 3.14Å; S140-L168 PolarHBondContact O-N 2.87Å; S140-L168 WeakPolarHBondContact OG-CD1 3.46Å; S140-L168 WeakPolarHBondContact OG-CD2 3.2Å
141	N	98.5	Very high	95.2	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.262	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	135.3	176.7	-70.3	-97.8	0	0	0	108.7	W143 P153 H165 T166 R167	N141-W143 HydrophobicContact CB-CE3 4.46Å; N141-W143 HydrophobicContact CB-CH2 3.31Å; N141-W143 HydrophobicContact CB-CZ2 3.84Å; N141-W143 HydrophobicContact CB-CZ3 3.65Å; N141-W143 WeakPolarHBondContact O-CZ3 3.29Å; N141-P153 WeakPolarHBondContact O-CA 3.5Å; N141-H165 PolarHBondContact OD1-CE1 2.89Å; N141-H165 PolarHBondContact OD1-NE2 3.46Å; N141-T166 WeakPolarHBondContact CA-O 3.22Å; N141-R167 WeakPolarHBondContact OD1-CG 3.42Å
142	W	98.6	Very high	96.5	Very high	15 Å²	15	50 Å²	50	6%	0.057	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.9	-179.4	-69.2	76.4	0	0	0	110.7	S140 R151 Y152 P153 H165 T166 P204 L205 S208	S140-W142 PolarHBondContact OG-NE1 3.37Å; S140-W142 VanDerWaalsContact OG-NE1 3.14Å; W142-R151 HydrophobicContact CE3-CB 3.99Å; W142-Y152 CarbonylContact C-O 3.56Å; W142-Y152 WeakPolarHBondContact CA-O 3.48Å; W142-P153 HydrophobicContact CD2-CB 4.36Å; W142-P153 HydrophobicContact CE3-CB 4.46Å; W142-P153 HydrophobicContact CH2-CB 4.38Å; W142-P153 HydrophobicContact CH2-CG 4.41Å; W142-P153 HydrophobicContact CZ2-CB 4.24Å; W142-P153 HydrophobicContact CZ3-CB 4.49Å; W142-P153 HydrophobicContact CZ3-CG 4.47Å; W142-H165 CarbonylContact O-C 3.59Å; W142-H165 WeakPolarHBondContact O-CA 3.34Å; W142-T166 PolarHBondContact N-O 2.85Å; W142-T166 PolarHBondContact O-N 2.7Å; W142-P204 HydrophobicContact CH2-CB 4.06Å; W142-P204 HydrophobicContact CZ3-CB 4.18Å; W142-P204 HydrophobicContact CZ3-CG 4.43Å; W142-L205 HydrophobicContact CD2-CB 4.41Å; W142-L205 HydrophobicContact CD2-CD1 4.4Å; W142-L205 HydrophobicContact CD2-CG 4.46Å; W142-L205 HydrophobicContact CG-CD1 4.1Å; W142-L205 HydrophobicContact CZ2-CB 4.25Å; W142-S208 WeakPolarHBondContact CZ2-OG 3.46Å
143	W	98.7	Very high	97.1	Very high	47 Å²	47	47.3 Å²	47.3	18%	0.178	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.9	-179.8	-65.8	-89.9	0	0	0	111.3	N141 R151 Y152 Y154 I155 E164 H165	N141-W143 HydrophobicContact CB-CE3 4.46Å; N141-W143 HydrophobicContact CB-CH2 3.31Å; N141-W143 HydrophobicContact CB-CZ2 3.84Å; N141-W143 HydrophobicContact CB-CZ3 3.65Å; N141-W143 WeakPolarHBondContact O-CZ3 3.29Å; W143-R151 CarbonylContact O-C 3.57Å; W143-R151 WeakPolarHBondContact O-CA 3.48Å; W143-Y152 PolarHBondContact N-O 3.3Å; W143-Y152 PolarHBondContact O-N 2.73Å; W143-Y154 VanDerWaalsContact CE3-CA 3.48Å; W143-I155 HydrophobicContact CD2-CG1 3.65Å; W143-I155 HydrophobicContact CE3-CG1 4.29Å; W143-I155 HydrophobicContact CG-CG1 3.75Å; W143-I155 HydrophobicContact CZ2-CD1 4.44Å; W143-I155 HydrophobicContact CZ2-CG1 4.19Å; W143-E164 WeakPolarHBondContact CA-O 3.5Å; W143-H165 AromaticContact CE2-CD2 3.76Å; W143-H165 AromaticContact CE2-NE2 3.9Å; W143-H165 AromaticContact CZ2-NE2 3.83Å; W143-H165 AromaticContact NE1-CD2 3.53Å; W143-H165 AromaticContact NE1-CG 3.62Å; W143-H165 AromaticContact NE1-NE2 3.93Å
144	R	98.4	Very high	97.2	Very high	2 Å²	2	53 Å²	53	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.7	169.7	-170.1	-169.3	-62.8	-72.1	-0.8	109.1	N146 E148 P149 R151 P162 K163 E164	R144-N146 WeakPolarHBondContact CD-O 3.37Å; R144-N146 WeakPolarHBondContact CG-O 3.38Å; R144-E148 WeakPolarHBondContact CD-O 3.34Å; R144-E148 PolarHBondContact NH1-O 3.36Å; R144-P149 VanDerWaalsContact NH1-CA 3.35Å; R144-P149 PolarHBondContact NH1-O 3.1Å; R144-R151 HydrophobicContact CB-CG 4.4Å; R144-R151 VanDerWaalsContact NH2-CZ 3.33Å; R144-P162 CarbonylContact O-C 3.58Å; R144-K163 PolarHBondContact O-N 2.86Å; R144-E164 HydrophobicContact CB-CB 3.76Å; R144-E164 IonicContact CZ-OE2 3.14Å; R144-E164 PolarHBondContact N-O 3.4Å; R144-E164 IonicContact NE-OE2 2.71Å; R144-E164 PolarHBondContact NE-OE2 3.44Å; R144-E164 IonicContact NH2-OE2 3.84Å; R144-E164 PolarHBondContact NH2-OE2 2.93Å; R144-E164 PolarHBondContact O-N 2.88Å
145	P	98.2	Very high	97.3	Very high	12 Å²	12	54.2 Å²	54.2	8%	0.078	28%	0.276	C	S	.	.			trans	-76.2	-34.2	-176.3	28.7	-34	0	0	0	113.1	Y152 I159 K163	P145-Y152 HydrophobicContact CG-CD2 4.04Å; P145-Y152 HydrophobicContact CG-CE2 3.74Å; P145-I159 HydrophobicContact CB-CD1 4Å; P145-I159 HydrophobicContact CB-CG1 3.85Å; P145-I159 HydrophobicContact CB-CG2 4.06Å; P145-K163 WeakPolarHBondContact O-CG 3.17Å; P145-K163 PolarHBondContact O-NZ 3Å
146	N	97.9	Very high	97.3	Very high	71 Å²	71	54 Å²	54	38%	0.38	28%	0.277	S	S	.	.	S	Bend	trans	-127.9	172.3	-172.2	-63	-39.4	0	0	0	111.5	R144 E148	R144-N146 WeakPolarHBondContact CD-O 3.37Å; R144-N146 WeakPolarHBondContact CG-O 3.38Å; N146-E148 HydrophobicContact CB-CB 4.32Å; N146-E148 HydrophobicContact CB-CG 4.29Å; N146-E148 PolarHBondContact O-N 3.23Å
147	F	97.6	Very high	97.3	Very high	33 Å²	33	56.9 Å²	56.9	15%	0.145	30%	0.299	C	S	.	.	S	Bend	trans	-80.6	53.6	173.4	-58.8	-73.8	0	0	0	111.2	F58 M61 R62 Y65 K163	F58-F147 VanDerWaalsContact CD1-C 3.43Å; F58-F147 HydrophobicContact CD1-CB 4.46Å; F58-F147 WeakPolarHBondContact CD1-O 3.42Å; M61-F147 HydrophobicContact CB-CD1 4.15Å; M61-F147 HydrophobicContact CB-CE1 4.48Å; M61-F147 HydrophobicContact CG-CD1 3.79Å; M61-F147 HydrophobicContact CG-CE1 3.96Å; M61-F147 WeakPolarHBondContact O-CE1 3.48Å; M61-F147 HydrophobicContact SD-CD1 3.96Å; R62-F147 VanDerWaalsContact CA-CE1 3.49Å; R62-F147 HydrophobicContact CB-CD1 4.39Å; R62-F147 HydrophobicContact CB-CE1 4.19Å; R62-F147 HydrophobicContact CB-CZ 4.26Å; R62-F147 HydrophobicContact CG-CB 4.06Å; R62-F147 HydrophobicContact CG-CD1 3.51Å; R62-F147 HydrophobicContact CG-CD2 3.6Å; R62-F147 HydrophobicContact CG-CE1 3.71Å; R62-F147 HydrophobicContact CG-CE2 3.77Å; R62-F147 HydrophobicContact CG-CG 3.45Å; R62-F147 VanDerWaalsContact CG-CG 3.45Å; R62-F147 HydrophobicContact CG-CZ 3.81Å; Y65-F147 HydrophobicContact CD1-CZ 4.02Å; Y65-F147 HydrophobicContact CG-CE1 4.19Å; Y65-F147 AromaticContact CG-CZ 3.88Å; Y65-F147 HydrophobicContact CG-CZ 3.88Å; F147-K163 HydrophobicContact CD1-CB 4.15Å; F147-K163 HydrophobicContact CD1-CD 4.41Å; F147-K163 HydrophobicContact CD1-CG 3.97Å; F147-K163 HydrophobicContact CD2-CD 4.33Å; F147-K163 HydrophobicContact CD2-CG 4.29Å; F147-K163 HydrophobicContact CE1-CB 3.99Å; F147-K163 HydrophobicContact CE1-CD 3.81Å; F147-K163 HydrophobicContact CE1-CG 3.83Å; F147-K163 HydrophobicContact CE2-CD 3.75Å; F147-K163 HydrophobicContact CE2-CG 4.18Å; F147-K163 HydrophobicContact CG-CG 4.21Å; F147-K163 HydrophobicContact CZ-CD 3.47Å; F147-K163 VanDerWaalsContact CZ-CD 3.47Å; F147-K163 HydrophobicContact CZ-CG 3.97Å
148	E	96.6	Very high	97.3	Very high	103 Å²	103	63.6 Å²	63.6	48%	0.481	33%	0.329	S	S	.	.	S	Bend	trans	-143	159.9	-172.2	-68.9	175.1	-178.6	0	0	109.9	R144 N146	R144-E148 WeakPolarHBondContact CD-O 3.34Å; R144-E148 PolarHBondContact NH1-O 3.36Å; N146-E148 HydrophobicContact CB-CB 4.32Å; N146-E148 HydrophobicContact CB-CG 4.29Å; N146-E148 PolarHBondContact O-N 3.23Å
149	P	95.6	Very high	97.4	Very high	90 Å²	90	63.3 Å²	63.3	58%	0.584	33%	0.325	S	S	*	.	S	Bend	trans	-55	-37.2	-175.2	-28	36	0	0	0	118.5	F58 R144	F58-P149 HydrophobicContact CE2-CG 3.99Å; F58-P149 HydrophobicContact CZ-CB 4.48Å; F58-P149 HydrophobicContact CZ-CG 3.93Å; R144-P149 VanDerWaalsContact NH1-CA 3.35Å; R144-P149 PolarHBondContact NH1-O 3.1Å
150	P	95.8	Very high	97.4	Very high	59 Å²	59	68.6 Å²	68.6	38%	0.383	36%	0.358	S	S	.	.			trans	-58.7	138.3	-174	-27.2	36.1	0	0	0	114	Y152	P150-Y152 HydrophobicContact CB-CE2 4Å
151	R	96.9	Very high	97.4	Very high	56 Å²	56	74.3 Å²	74.3	21%	0.211	38%	0.38	C	S	.	.			trans	-130.7	149.3	170.7	-53.9	-172.7	-147.7	-170.9	7.3	108.9	W142 W143 R144 E164 T166	W142-R151 HydrophobicContact CE3-CB 3.99Å; W143-R151 CarbonylContact O-C 3.57Å; W143-R151 WeakPolarHBondContact O-CA 3.48Å; R144-R151 HydrophobicContact CB-CG 4.4Å; R144-R151 VanDerWaalsContact NH2-CZ 3.33Å; R151-E164 IonicContact NH1-OE1 3.51Å; R151-T166 PolarHBondContact NH1-OG1 2.98Å; R151-T166 VanDerWaalsContact NH1-OG1 3.15Å
152	Y	98	Very high	97.4	Very high	84 Å²	84	72.7 Å²	72.7	33%	0.329	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-129	144.4	-177.1	-57.3	-83.3	0	0	0	110.8	W142 W143 P145 P150 Y154	W142-Y152 CarbonylContact C-O 3.56Å; W142-Y152 WeakPolarHBondContact CA-O 3.48Å; W143-Y152 PolarHBondContact N-O 3.3Å; W143-Y152 PolarHBondContact O-N 2.73Å; P145-Y152 HydrophobicContact CG-CD2 4.04Å; P145-Y152 HydrophobicContact CG-CE2 3.74Å; P150-Y152 HydrophobicContact CB-CE2 4Å; Y152-Y154 WeakPolarHBondContact CB-O 3.36Å; Y152-Y154 PolarHBondContact O-N 3.04Å
153	P	98	Very high	97.4	Very high	75 Å²	75	73.4 Å²	73.4	49%	0.487	38%	0.376	S	S	.	.	S	Bend	trans	-77.8	22.6	176.5	33.9	-35.4	0	0	0	112.9	N141 W142	N141-P153 WeakPolarHBondContact O-CA 3.5Å; W142-P153 HydrophobicContact CD2-CB 4.36Å; W142-P153 HydrophobicContact CE3-CB 4.46Å; W142-P153 HydrophobicContact CH2-CB 4.38Å; W142-P153 HydrophobicContact CH2-CG 4.41Å; W142-P153 HydrophobicContact CZ2-CB 4.24Å; W142-P153 HydrophobicContact CZ3-CB 4.49Å; W142-P153 HydrophobicContact CZ3-CG 4.47Å
154	Y	98	Very high	97.4	Very high	132 Å²	132	71.3 Å²	71.3	52%	0.518	37%	0.368	S	S	.	.	S	Bend	trans	-155.8	162.5	176	56.8	-90.7	0	0	0	109	W143 Y152 A156	W143-Y154 VanDerWaalsContact CE3-CA 3.48Å; Y152-Y154 WeakPolarHBondContact CB-O 3.36Å; Y152-Y154 PolarHBondContact O-N 3.04Å; Y154-A156 HydrophobicContact CE2-CB 4.39Å; Y154-A156 PolarHBondContact O-N 3.15Å
155	I	98.2	Very high	97.4	Very high	87 Å²	87	72.1 Å²	72.1	45%	0.446	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-78.5	116.5	170.1	-58.7	175.2	0	0	0	107.9	W143 I159	W143-I155 HydrophobicContact CD2-CG1 3.65Å; W143-I155 HydrophobicContact CE3-CG1 4.29Å; W143-I155 HydrophobicContact CG-CG1 3.75Å; W143-I155 HydrophobicContact CZ2-CD1 4.44Å; W143-I155 HydrophobicContact CZ2-CG1 4.19Å; I155-I159 HydrophobicContact CG2-CB 4.38Å; I155-I159 VanDerWaalsContact CG2-O 3.29Å; I155-I159 WeakPolarHBondContact CG2-O 3.17Å
156	A	96.2	Very high	97.4	Very high	25 Å²	25	71.6 Å²	71.6	21%	0.207	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-60.5	152.5	-178.9	0	0	0	0	0	112.4	Y154 I159	Y154-A156 HydrophobicContact CE2-CB 4.39Å; Y154-A156 PolarHBondContact O-N 3.15Å; A156-I159 HydrophobicContact CB-CG1 3.89Å; A156-I159 WeakPolarHBondContact O-CB 3.35Å; A156-I159 PolarHBondContact O-N 3.16Å; A156-I159 VanDerWaalsContact O-N 3.15Å
157	T	95.9	Very high	97.4	Very high	118 Å²	118	72 Å²	72	72%	0.724	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	141.3	-178.2	51.6	0	0	0	0	111.5	I159	T157-I159 PolarHBondContact O-N 3.27Å
158	H	96	Very high	97.5	Very high	183 Å²	183	70.4 Å²	70.4	85%	0.847	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	0.4	-178	-45.7	-71.8	0	0	0	115.9	T160	H158-T160 PolarHBondContact O-N 3.13Å
159	I	97.3	Very high	97.6	Very high	48 Å²	48	66.2 Å²	66.2	25%	0.246	34%	0.337	C	S	.	.			trans	-84.8	101.4	173.8	-57.2	-60.2	0	0	0	109.6	P145 I155 A156 T157 P162	P145-I159 HydrophobicContact CB-CD1 4Å; P145-I159 HydrophobicContact CB-CG1 3.85Å; P145-I159 HydrophobicContact CB-CG2 4.06Å; I155-I159 HydrophobicContact CG2-CB 4.38Å; I155-I159 VanDerWaalsContact CG2-O 3.29Å; I155-I159 WeakPolarHBondContact CG2-O 3.17Å; A156-I159 HydrophobicContact CB-CG1 3.89Å; A156-I159 WeakPolarHBondContact O-CB 3.35Å; A156-I159 PolarHBondContact O-N 3.16Å; A156-I159 VanDerWaalsContact O-N 3.15Å; T157-I159 PolarHBondContact O-N 3.27Å; I159-P162 HydrophobicContact CG2-CB 4.27Å
160	T	96.9	Very high	97.7	Very high	130 Å²	130	62 Å²	62	80%	0.798	31%	0.31	S	S	*	.	S	Bend	trans	-90.8	-16.7	174.7	55.2	0	0	0	0	113.4	H158	H158-T160 PolarHBondContact O-N 3.13Å
161	K	98	Very high	97.8	Very high	142 Å²	142	59.2 Å²	59.2	62%	0.617	29%	0.292	S	S	*	.	S	Bend	trans	-134.8	68.4	-171.7	-75.7	-170.2	-175.7	-176.9	0	111.2	Y65 K163	Y65-K161 WeakPolarHBondContact OH-CB 3.35Å; Y65-K161 PolarHBondContact OH-O 3.43Å; K161-K163 PolarHBondContact O-NZ 2.89Å
162	P	98.3	Very high	97.8	Very high	14 Å²	14	58 Å²	58	9%	0.091	29%	0.288	C	S	.	.			trans	-60	152.1	173.5	25.3	-32	0	0	0	110.9	Y65 M70 R144 I159	Y65-P162 VanDerWaalsContact CE2-O 3.22Å; Y65-P162 WeakPolarHBondContact CE2-O 3.47Å; Y65-P162 PolarHBondContact OH-O 2.86Å; M70-P162 WeakPolarHBondContact CG-O 3.32Å; M70-P162 HydrophobicContact SD-CB 4.29Å; M70-P162 HydrophobicContact SD-CG 3.7Å; R144-P162 CarbonylContact O-C 3.58Å; I159-P162 HydrophobicContact CG2-CB 4.27Å
163	K	98.5	Very high	97.8	Very high	31 Å²	31	54.1 Å²	54.1	14%	0.135	27%	0.274	C	S	.	.	S	Bend	trans	-89.1	-30.5	-175.7	-52.3	-49.3	177.5	-75.6	0	112.9	M61 Y65 R71 R144 P145 F147 K161	M61-K163 HydrophobicContact SD-CB 4.27Å; Y65-K163 HydrophobicContact CD1-CD 4.3Å; Y65-K163 HydrophobicContact CD2-CB 4.42Å; Y65-K163 HydrophobicContact CD2-CD 3.94Å; Y65-K163 HydrophobicContact CE1-CD 4.09Å; Y65-K163 HydrophobicContact CE2-CD 3.74Å; Y65-K163 HydrophobicContact CG-CD 4.23Å; R71-K163 PolarHBondContact N-O 3.44Å; R144-K163 PolarHBondContact O-N 2.86Å; P145-K163 WeakPolarHBondContact O-CG 3.17Å; P145-K163 PolarHBondContact O-NZ 3Å; F147-K163 HydrophobicContact CD1-CB 4.15Å; F147-K163 HydrophobicContact CD1-CD 4.41Å; F147-K163 HydrophobicContact CD1-CG 3.97Å; F147-K163 HydrophobicContact CD2-CD 4.33Å; F147-K163 HydrophobicContact CD2-CG 4.29Å; F147-K163 HydrophobicContact CE1-CB 3.99Å; F147-K163 HydrophobicContact CE1-CD 3.81Å; F147-K163 HydrophobicContact CE1-CG 3.83Å; F147-K163 HydrophobicContact CE2-CD 3.75Å; F147-K163 HydrophobicContact CE2-CG 4.18Å; F147-K163 HydrophobicContact CG-CG 4.21Å; F147-K163 HydrophobicContact CZ-CD 3.47Å; F147-K163 VanDerWaalsContact CZ-CD 3.47Å; F147-K163 HydrophobicContact CZ-CG 3.97Å; K161-K163 PolarHBondContact O-NZ 2.89Å
164	E	98.6	Very high	97.6	Very high	3 Å²	3	53.9 Å²	53.9	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	140.5	178.5	-174.1	-179	-173.7	0	0	109.9	M61 R71 T73 W143 R144 R151	M61-E164 WeakPolarHBondContact CE-OE2 3.37Å; R71-E164 HydrophobicContact CB-CB 4.24Å; R71-E164 HydrophobicContact CB-CG 4.15Å; R71-E164 HydrophobicContact CG-CG 4.16Å; R71-E164 CarbonylContact O-C 3.52Å; R71-E164 VanDerWaalsContact O-CA 3.3Å; R71-E164 WeakPolarHBondContact O-CA 3.3Å; T73-E164 PolarHBondContact OG1-OE1 2.82Å; W143-E164 WeakPolarHBondContact CA-O 3.5Å; R144-E164 HydrophobicContact CB-CB 3.76Å; R144-E164 IonicContact CZ-OE2 3.14Å; R144-E164 PolarHBondContact N-O 3.4Å; R144-E164 IonicContact NE-OE2 2.71Å; R144-E164 PolarHBondContact NE-OE2 3.44Å; R144-E164 IonicContact NH2-OE2 3.84Å; R144-E164 PolarHBondContact NH2-OE2 2.93Å; R144-E164 PolarHBondContact O-N 2.88Å; R151-E164 IonicContact NH1-OE1 3.51Å
165	H	98.7	Very high	97.5	Very high	18 Å²	18	52.8 Å²	52.8	8%	0.083	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	116.8	165.5	175.7	-159.7	0	0	0	108.6	M70 R71 T73 N141 W142 W143 R167	M70-H165 HydrophobicContact CE-CB 3.51Å; M70-H165 HydrophobicContact CG-CB 4.48Å; M70-H165 HydrophobicContact SD-CB 3.63Å; R71-H165 PolarHBondContact O-N 3.07Å; T73-H165 PolarHBondContact N-O 3.39Å; N141-H165 PolarHBondContact OD1-CE1 2.89Å; N141-H165 PolarHBondContact OD1-NE2 3.46Å; W142-H165 CarbonylContact O-C 3.59Å; W142-H165 WeakPolarHBondContact O-CA 3.34Å; W143-H165 AromaticContact CE2-CD2 3.76Å; W143-H165 AromaticContact CE2-NE2 3.9Å; W143-H165 AromaticContact CZ2-NE2 3.83Å; W143-H165 AromaticContact NE1-CD2 3.53Å; W143-H165 AromaticContact NE1-CG 3.62Å; W143-H165 AromaticContact NE1-NE2 3.93Å; H165-R167 PolarHBondContact CE1-NE 3.31Å
166	T	98.7	Very high	97.3	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126.5	175.1	-47.7	0	0	0	0	109.4	T73 E75 N141 W142 R151 L168 L205	T73-T166 HydrophobicContact CG2-CG2 3.97Å; T73-T166 CarbonylContact O-C 3.46Å; T73-T166 VanDerWaalsContact O-CA 3.31Å; T73-T166 WeakPolarHBondContact O-CA 3.44Å; E75-T166 HydrophobicContact CG-CG2 4.2Å; N141-T166 WeakPolarHBondContact CA-O 3.22Å; W142-T166 PolarHBondContact N-O 2.85Å; W142-T166 PolarHBondContact O-N 2.7Å; R151-T166 PolarHBondContact NH1-OG1 2.98Å; R151-T166 VanDerWaalsContact NH1-OG1 3.15Å; T166-L168 HydrophobicContact CG2-CD1 4.21Å; T166-L205 HydrophobicContact CG2-CD1 4.28Å
167	R	98.7	Very high	97.2	Very high	80 Å²	80	53.4 Å²	53.4	30%	0.302	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.1	172	-67.8	-170.5	176.1	144.4	-0.8	110.2	T73 V74 E75 S111 N141 H165 Y169	T73-R167 PolarHBondContact O-N 3.1Å; V74-R167 CarbonylContact C-O 3.57Å; V74-R167 WeakPolarHBondContact CA-O 3.33Å; E75-R167 PolarHBondContact N-O 3.41Å; S111-R167 PolarHBondContact OG-NH1 2.81Å; N141-R167 WeakPolarHBondContact OD1-CG 3.42Å; H165-R167 PolarHBondContact CE1-NE 3.31Å; R167-Y169 HydrophobicContact CB-CD2 4.42Å; R167-Y169 HydrophobicContact CB-CE2 3.62Å; R167-Y169 WeakPolarHBondContact CD-OH 3.35Å
168	L	98.8	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136	174.5	-69.9	69.4	0	0	0	109.3	E75 V77 L100 L139 S140 T166 L205 L209	E75-L168 HydrophobicContact CB-CG 4.39Å; E75-L168 CarbonylContact O-C 3.54Å; E75-L168 WeakPolarHBondContact O-CA 3.31Å; V77-L168 HydrophobicContact CG2-CD2 4.42Å; L100-L168 HydrophobicContact CD1-CD2 3.97Å; L100-L168 HydrophobicContact CD1-CG 4.36Å; L139-L168 HydrophobicContact CB-CB 4.16Å; L139-L168 PolarHBondContact N-O 3.48Å; S140-L168 PolarHBondContact O-N 2.87Å; S140-L168 WeakPolarHBondContact OG-CD1 3.46Å; S140-L168 WeakPolarHBondContact OG-CD2 3.2Å; T166-L168 HydrophobicContact CG2-CD1 4.21Å; L168-L205 HydrophobicContact CD1-CD1 3.88Å; L168-L205 HydrophobicContact CD1-CD2 4.34Å; L168-L205 HydrophobicContact CD1-CG 4.12Å; L168-L205 HydrophobicContact CD2-CD2 3.57Å; L168-L205 HydrophobicContact CD2-CG 3.98Å; L168-L205 HydrophobicContact CG-CD2 4.24Å; L168-L209 HydrophobicContact CD2-CD2 3.72Å
169	Y	98.7	Very high	97	Very high	14 Å²	14	42.4 Å²	42.4	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.1	177.1	-60.7	-89.5	0	0	0	111.3	V74 E75 V77 S111 L115 V135 D137 T138 R167	V74-Y169 HydrophobicContact CB-CE2 4.19Å; V74-Y169 HydrophobicContact CG1-CE2 3.89Å; E75-Y169 PolarHBondContact O-N 2.78Å; V77-Y169 PolarHBondContact N-O 3.15Å; S111-Y169 WeakPolarHBondContact CB-OH 3.49Å; L115-Y169 HydrophobicContact CD2-CD2 3.75Å; L115-Y169 HydrophobicContact CD2-CG 3.99Å; V135-Y169 HydrophobicContact CG1-CD1 3.87Å; V135-Y169 HydrophobicContact CG1-CG 3.94Å; D137-Y169 CarbonylContact O-C 3.52Å; D137-Y169 VanDerWaalsContact O-CA 3.23Å; D137-Y169 WeakPolarHBondContact O-CA 3.36Å; T138-Y169 HydrophobicContact CG2-CE1 4.5Å; T138-Y169 VanDerWaalsContact OG1-CE1 3.31Å; T138-Y169 WeakPolarHBondContact OG1-CE1 3.3Å; R167-Y169 HydrophobicContact CB-CD2 4.42Å; R167-Y169 HydrophobicContact CB-CE2 3.62Å; R167-Y169 WeakPolarHBondContact CD-OH 3.35Å
170	L	98.2	Very high	96.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129	167.7	-176.4	62.2	0	0	0	108.8	I31 M79 E136 D137 L139 L213 F216	I31-L170 HydrophobicContact CD1-CD2 3.68Å; I31-L170 HydrophobicContact CG1-CD2 3.73Å; I31-L170 HydrophobicContact CG2-CD2 4.24Å; M79-L170 HydrophobicContact CG-CD1 3.81Å; E136-L170 PolarHBondContact N-O 2.84Å; D137-L170 PolarHBondContact O-N 3.02Å; L139-L170 HydrophobicContact CD1-CB 4.07Å; L139-L170 HydrophobicContact CD2-CB 4.02Å; L139-L170 HydrophobicContact CG-CB 4Å; L170-L213 HydrophobicContact CD1-CD2 4.08Å; L170-F216 HydrophobicContact CD2-CD1 4.02Å; L170-F216 HydrophobicContact CD2-CD2 4.27Å; L170-F216 HydrophobicContact CD2-CE1 3.72Å; L170-F216 HydrophobicContact CD2-CE2 4.03Å; L170-F216 HydrophobicContact CD2-CG 4.28Å; L170-F216 HydrophobicContact CD2-CZ 3.72Å
171	V	98.1	Very high	96.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118	179.3	-174.6	0	0	0	0	108.3	V77 L78 L115 L119 W133 V134 L173	V77-V171 PolarHBondContact O-N 3Å; L78-V171 HydrophobicContact CD2-CB 4.39Å; L78-V171 HydrophobicContact CD2-CG1 4.28Å; L78-V171 HydrophobicContact CG-CB 4.19Å; L115-V171 HydrophobicContact CD2-CG2 4.15Å; L119-V171 HydrophobicContact CD1-CG1 4.13Å; L119-V171 HydrophobicContact CD1-CG2 3.93Å; W133-V171 HydrophobicContact CE3-CG1 3.87Å; V134-V171 CarbonylContact O-C 3.55Å; V134-V171 WeakPolarHBondContact O-CA 3.49Å; V171-L173 PolarHBondContact O-N 2.77Å
172	Q	96.9	Very high	96.6	Very high	29 Å²	29	28.1 Å²	28.1	14%	0.136	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.3	177.1	176.8	64.1	68.8	0	0	109.1	N32 V134 E136	N32-Q172 VanDerWaalsContact N-OE1 3.17Å; N32-Q172 PolarHBondContact O-NE2 2.84Å; N32-Q172 PolarHBondContact O-OE1 2.86Å; V134-Q172 HydrophobicContact CB-CB 4.16Å; V134-Q172 HydrophobicContact CG1-CB 4.2Å; V134-Q172 PolarHBondContact O-N 2.89Å; E136-Q172 HydrophobicContact CG-CB 3.57Å
173	L	96.3	Very high	96.4	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.021	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-80.8	145.3	173.3	-71.8	179.4	0	0	0	110.6	Y34 Y39 L78 V80 L89 W133 V171 F179	Y34-L173 WeakPolarHBondContact CE2-O 3.45Å; Y39-L173 HydrophobicContact CD1-CD1 4.4Å; Y39-L173 HydrophobicContact CE1-CB 3.9Å; Y39-L173 HydrophobicContact CE1-CD1 3.76Å; Y39-L173 HydrophobicContact CE1-CG 4.33Å; Y39-L173 HydrophobicContact CE2-CD1 4.4Å; Y39-L173 VanDerWaalsContact OH-CB 3.24Å; Y39-L173 WeakPolarHBondContact OH-CB 3.18Å; L78-L173 HydrophobicContact CB-CD1 4.14Å; L78-L173 HydrophobicContact CB-CD2 4.49Å; L78-L173 HydrophobicContact CB-CG 4.29Å; L78-L173 HydrophobicContact CD2-CD2 3.51Å; L78-L173 HydrophobicContact CD2-CG 4.19Å; V80-L173 HydrophobicContact CG1-CD1 3.82Å; L89-L173 HydrophobicContact CD1-CD1 4.07Å; W133-L173 HydrophobicContact CZ3-CD2 3.96Å; V171-L173 PolarHBondContact O-N 2.77Å; L173-F179 HydrophobicContact CD1-CZ 4Å; L173-F179 HydrophobicContact CD2-CE1 4.01Å; L173-F179 HydrophobicContact CD2-CZ 3.61Å; L173-F179 HydrophobicContact CG-CZ 4.47Å
174	P	95.2	Very high	96.1	Very high	70 Å²	70	34.4 Å²	34.4	46%	0.455	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-68.6	169.1	168.1	33.3	-36.9	0	0	0	110.3	Y39 N176 A177	Y39-P174 PolarHBondContact OH-O 2.94Å; P174-N176 WeakPolarHBondContact CG-O 3.47Å; P174-N176 PolarHBondContact O-N 3.31Å; P174-A177 HydrophobicContact CG-CB 4.05Å
175	E	95.6	Very high	96	Very high	108 Å²	108	35.1 Å²	35.1	51%	0.505	18%	0.178	S	C	.	.	S	Bend	trans	-56.5	-35.3	-178.8	-174.7	178.9	170.2	0	0	113.6	Y34 N38	Y34-E175 HydrophobicContact CD1-CB 3.96Å; Y34-E175 HydrophobicContact CD1-CG 3.65Å; Y34-E175 HydrophobicContact CE1-CB 3.66Å; Y34-E175 HydrophobicContact CE1-CG 3.61Å; Y34-E175 HydrophobicContact CE2-CB 4.36Å; Y34-E175 HydrophobicContact CG-CB 4.4Å; Y34-E175 HydrophobicContact CG-CG 4.38Å; N38-E175 WeakPolarHBondContact CB-O 3.42Å; N38-E175 PolarHBondContact ND2-O 3.01Å
176	N	94.5	Very high	95.8	Very high	97 Å²	97	41 Å²	41	52%	0.519	20%	0.204	S	C	.	.	S	Bend	trans	-138.4	139.9	176.4	-61.6	-84.6	0	0	0	109.2	P174	P174-N176 WeakPolarHBondContact CG-O 3.47Å; P174-N176 PolarHBondContact O-N 3.31Å
177	A	93.2	Very high	95.7	Very high	28 Å²	28	42.1 Å²	42.1	23%	0.231	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	155.7	171.5	0	0	0	0	0	111.9	Y39 T40 P174 F179	Y39-A177 WeakPolarHBondContact CA-O 3.34Å; Y39-A177 HydrophobicContact CD1-CB 3.97Å; Y39-A177 HydrophobicContact CE1-CB 4.27Å; T40-A177 PolarHBondContact N-O 3.15Å; P174-A177 HydrophobicContact CG-CB 4.05Å; A177-F179 HydrophobicContact CB-CE1 4.34Å; A177-F179 HydrophobicContact CB-CZ 4.21Å
178	L	92.6	Very high	95.6	Very high	68 Å²	68	40.2 Å²	40.2	36%	0.356	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.1	170.2	168.9	71.4	0	0	0	108	T40 Q125	T40-L178 HydrophobicContact CG2-CD1 3.54Å; T40-L178 WeakPolarHBondContact O-CA 3.42Å; Q125-L178 HydrophobicContact CG-CD2 4.48Å; Q125-L178 PolarHBondContact NE2-O 2.76Å
179	F	94.2	Very high	95.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.3	174.4	-57.5	-64.3	0	0	0	110.5	Y39 T40 F41 G42 L89 L123 W133 L173 A177 V181 L187	Y39-F179 AromaticContact CD1-CE2 3.69Å; Y39-F179 HydrophobicContact CD1-CE2 3.69Å; Y39-F179 HydrophobicContact CD1-CZ 4.01Å; Y39-F179 HydrophobicContact CE1-CZ 4.49Å; Y39-F179 AromaticContact CG-CE2 3.98Å; Y39-F179 HydrophobicContact CG-CE2 3.98Å; T40-F179 PolarHBondContact O-N 2.89Å; F41-F179 HydrophobicContact CD1-CB 4.3Å; F41-F179 AromaticContact CD1-CD2 3.82Å; F41-F179 HydrophobicContact CD1-CD2 3.82Å; F41-F179 AromaticContact CE1-CD2 3.59Å; F41-F179 HydrophobicContact CE1-CD2 3.59Å; F41-F179 HydrophobicContact CE1-CE2 4.14Å; G42-F179 WeakPolarHBondContact CA-O 3.35Å; G42-F179 PolarHBondContact N-O 2.96Å; L89-F179 HydrophobicContact CD1-CE2 4.03Å; L89-F179 HydrophobicContact CD1-CZ 4.33Å; L123-F179 HydrophobicContact CB-CD1 4.17Å; L123-F179 HydrophobicContact CD1-CD1 4.45Å; W133-F179 HydrophobicContact CH2-CD1 4.12Å; W133-F179 AromaticContact CH2-CE1 3.71Å; W133-F179 HydrophobicContact CH2-CE1 3.71Å; W133-F179 HydrophobicContact CZ3-CE1 4.07Å; L173-F179 HydrophobicContact CD1-CZ 4Å; L173-F179 HydrophobicContact CD2-CE1 4.01Å; L173-F179 HydrophobicContact CD2-CZ 3.61Å; L173-F179 HydrophobicContact CG-CZ 4.47Å; A177-F179 HydrophobicContact CB-CE1 4.34Å; A177-F179 HydrophobicContact CB-CZ 4.21Å; F179-V181 HydrophobicContact CB-CG2 4.42Å; F179-L187 HydrophobicContact CB-CD2 4.33Å; F179-L187 HydrophobicContact CD2-CD2 4.17Å; F179-L187 HydrophobicContact CG-CD2 4.35Å
180	A	94.3	Very high	95.6	Very high	12 Å²	12	41.1 Å²	41.1	10%	0.099	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	97.7	171.7	0	0	0	0	0	109.8	K44 L123	K44-A180 HydrophobicContact CB-CB 4.24Å; K44-A180 HydrophobicContact CD-CB 3.98Å; K44-A180 VanDerWaalsContact CD-O 3.28Å; K44-A180 WeakPolarHBondContact CD-O 3.41Å; K44-A180 WeakPolarHBondContact CE-O 3.34Å; K44-A180 HydrophobicContact CG-CB 4.32Å; L123-A180 PolarHBondContact O-N 2.97Å
181	V	94.7	Very high	95.6	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.9	-173.9	-173	0	0	0	0	110.5	G42 T43 K44 L123 F179 K183 L187	G42-V181 PolarHBondContact O-N 3.11Å; T43-V181 CarbonylContact C-O 3.6Å; T43-V181 VanDerWaalsContact CA-O 3.31Å; T43-V181 WeakPolarHBondContact CA-O 3.15Å; K44-V181 PolarHBondContact N-O 2.57Å; L123-V181 HydrophobicContact CD2-CG2 4.42Å; F179-V181 HydrophobicContact CB-CG2 4.42Å; V181-K183 PolarHBondContact O-N 3.45Å; V181-L187 HydrophobicContact CG1-CB 4.13Å; V181-L187 HydrophobicContact CG2-CB 3.75Å; V181-L187 HydrophobicContact CG2-CD2 3.96Å
182	P	94.9	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	135	176.3	-20.6	31.6	0	0	0	111.5	K44 M47 C122 N184 Y185	K44-P182 HydrophobicContact CG-CG 4.48Å; M47-P182 HydrophobicContact CB-CB 3.89Å; M47-P182 HydrophobicContact CB-CG 3.97Å; C122-P182 VanDerWaalsContact O-CD 3.31Å; C122-P182 WeakPolarHBondContact O-CD 3.33Å; C122-P182 WeakPolarHBondContact O-CG 3.31Å; P182-N184 WeakPolarHBondContact CB-OD1 3.28Å; P182-N184 PolarHBondContact O-N 3.23Å; P182-Y185 HydrophobicContact CB-CD2 4.22Å; P182-Y185 HydrophobicContact CG-CD2 4.44Å; P182-Y185 PolarHBondContact O-N 3.38Å; P182-Y185 VanDerWaalsContact O-O 3.13Å
183	K	94.4	Very high	95.6	Very high	122 Å²	122	48.1 Å²	48.1	53%	0.53	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.7	-174.9	-81.5	160.8	-174.4	173.3	0	116	K44 E45 V181 Y185	K44-K183 WeakPolarHBondContact O-CG 3.35Å; K44-K183 PolarHBondContact O-N 3.38Å; E45-K183 IonicContact OE1-NZ 2.74Å; E45-K183 PolarHBondContact OE1-NZ 2.84Å; E45-K183 IonicContact OE2-NZ 3.54Å; V181-K183 PolarHBondContact O-N 3.45Å; K183-Y185 VanDerWaalsContact C-N 3.31Å
184	N	93.7	Very high	95.6	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9	177.9	59.9	-50.2	0	0	0	113.8	A46 M47 L93 P182	A46-N184 WeakPolarHBondContact CA-OD1 3.36Å; A46-N184 HydrophobicContact CB-CB 4.18Å; M47-N184 PolarHBondContact N-OD1 2.73Å; M47-N184 PolarHBondContact O-ND2 3.45Å; L93-N184 VanDerWaalsContact CD1-O 3.27Å; L93-N184 WeakPolarHBondContact CD1-O 3.37Å; P182-N184 WeakPolarHBondContact CB-OD1 3.28Å; P182-N184 PolarHBondContact O-N 3.23Å
185	Y	95.3	Very high	95.8	Very high	18 Å²	18	48.5 Å²	48.5	7%	0.071	25%	0.246	C	C	.	.			trans	-112.3	153.2	177.2	-75.9	-77.1	0	0	0	111	E49 L91 Q92 L93 P182 K183	E49-Y185 PolarHBondContact OE1-OH 3.17Å; L91-Y185 HydrophobicContact CB-CD1 3.84Å; L91-Y185 HydrophobicContact CB-CE1 4.21Å; L91-Y185 HydrophobicContact CB-CG 4.48Å; L91-Y185 HydrophobicContact CD2-CG 4.4Å; Q92-Y185 WeakPolarHBondContact O-CA 3.33Å; L93-Y185 HydrophobicContact CB-CD1 4.08Å; L93-Y185 HydrophobicContact CB-CE1 3.72Å; L93-Y185 HydrophobicContact CD1-CD1 4.38Å; L93-Y185 HydrophobicContact CD1-CE1 4.15Å; L93-Y185 HydrophobicContact CD2-CE1 4.4Å; L93-Y185 HydrophobicContact CG-CE1 4.31Å; P182-Y185 HydrophobicContact CB-CD2 4.22Å; P182-Y185 HydrophobicContact CG-CD2 4.44Å; P182-Y185 PolarHBondContact O-N 3.38Å; P182-Y185 VanDerWaalsContact O-O 3.13Å; K183-Y185 VanDerWaalsContact C-N 3.31Å
186	K	95	Very high	95.9	Very high	142 Å²	142	48.6 Å²	48.6	62%	0.617	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.2	161	-64.8	-179.6	178.9	-178.8	0	108.3	Q92 V188	Q92-K186 HydrophobicContact CB-CB 4.32Å; Q92-K186 PolarHBondContact N-O 3.42Å; Q92-K186 PolarHBondContact O-N 2.85Å; K186-V188 HydrophobicContact CB-CG1 4.44Å
187	L	96.3	Very high	96	Very high	24 Å²	24	50.2 Å²	50.2	13%	0.126	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.3	170	-168.4	62.7	0	0	0	107.9	F41 L89 L90 L91 L123 F179 V181	F41-L187 HydrophobicContact CD1-CD2 3.65Å; F41-L187 HydrophobicContact CD1-CG 4.43Å; F41-L187 HydrophobicContact CE1-CD2 3.59Å; F41-L187 HydrophobicContact CE1-CG 4.28Å; L89-L187 HydrophobicContact CB-CD1 4.17Å; L90-L187 WeakPolarHBondContact O-CA 3.22Å; L91-L187 HydrophobicContact CD2-CD1 3.96Å; L91-L187 HydrophobicContact CG-CD1 4.43Å; L123-L187 HydrophobicContact CD2-CD1 4.45Å; L123-L187 HydrophobicContact CD2-CD2 4.17Å; F179-L187 HydrophobicContact CB-CD2 4.33Å; F179-L187 HydrophobicContact CD2-CD2 4.17Å; F179-L187 HydrophobicContact CG-CD2 4.35Å; V181-L187 HydrophobicContact CG1-CB 4.13Å; V181-L187 HydrophobicContact CG2-CB 3.75Å; V181-L187 HydrophobicContact CG2-CD2 3.96Å
188	V	97.1	Very high	96.2	Very high	40 Å²	40	51 Å²	51	24%	0.242	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.9	-178.6	-59.5	0	0	0	0	110.1	L89 L90 Q92 F98 K186	L89-V188 CarbonylContact C-O 3.53Å; L89-V188 WeakPolarHBondContact CA-O 3.11Å; L90-V188 HydrophobicContact CB-CG2 3.98Å; L90-V188 PolarHBondContact N-O 3.44Å; L90-V188 WeakPolarHBondContact O-CG2 3.41Å; L90-V188 PolarHBondContact O-N 3.2Å; Q92-V188 HydrophobicContact CB-CG1 4.31Å; Q92-V188 HydrophobicContact CB-CG2 4.45Å; F98-V188 HydrophobicContact CD1-CG2 4.26Å; F98-V188 HydrophobicContact CE1-CG2 4.09Å; K186-V188 HydrophobicContact CB-CG1 4.44Å
189	A	98.1	Very high	96.3	Very high	30 Å²	30	51 Å²	51	25%	0.248	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109	171.1	0	0	0	0	0	108.4	L36 V80 H87 L89	L36-A189 HydrophobicContact CD1-CB 3.99Å; L36-A189 HydrophobicContact CD2-CB 3.92Å; V80-A189 HydrophobicContact CG2-CB 4.31Å; H87-A189 HydrophobicContact CB-CB 3.98Å; L89-A189 HydrophobicContact CD2-CB 3.94Å
190	A	98.1	Very high	96.4	Very high	3 Å²	3	59.4 Å²	59.4	3%	0.025	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.8	-179.5	0	0	0	0	0	110.1	H87 V88 L90 L195	H87-A190 CarbonylContact C-O 3.55Å; H87-A190 VanDerWaalsContact CA-O 3.29Å; H87-A190 WeakPolarHBondContact CA-O 3.16Å; V88-A190 PolarHBondContact N-O 3.15Å; V88-A190 PolarHBondContact O-N 2.96Å; L90-A190 HydrophobicContact CD1-CB 3.81Å; L90-A190 HydrophobicContact CG-CB 4.41Å; A190-L195 HydrophobicContact CB-CD1 4.49Å; A190-L195 HydrophobicContact CB-CD2 3.75Å; A190-L195 HydrophobicContact CB-CG 4.28Å
191	P	98.3	Very high	96.5	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.9	178.5	22.5	-28.8	0	0	0	110.8	L85 H87 F193 E194 L195	L85-P191 HydrophobicContact CD2-CB 3.63Å; H87-P191 VanDerWaalsContact CD2-CA 3.46Å; H87-P191 WeakPolarHBondContact CD2-CA 3.49Å; H87-P191 WeakPolarHBondContact NE2-CB 3.19Å; P191-F193 HydrophobicContact CB-CD1 3.82Å; P191-F193 HydrophobicContact CB-CE1 3.54Å; P191-F193 HydrophobicContact CB-CE2 4.5Å; P191-F193 HydrophobicContact CB-CG 4.43Å; P191-F193 HydrophobicContact CB-CZ 3.88Å; P191-F193 HydrophobicContact CG-CD1 4.37Å; P191-F193 HydrophobicContact CG-CE1 3.81Å; P191-F193 HydrophobicContact CG-CE2 4.03Å; P191-F193 HydrophobicContact CG-CZ 3.58Å; P191-F193 PolarHBondContact O-N 3.07Å; P191-E194 WeakPolarHBondContact CD-OE2 3.27Å; P191-E194 HydrophobicContact CG-CB 3.95Å; P191-E194 WeakPolarHBondContact O-CB 3.44Å; P191-E194 PolarHBondContact O-N 3.47Å; P191-L195 PolarHBondContact O-N 3.08Å
192	V	97.9	Very high	96.6	Very high	26 Å²	26	62 Å²	62	16%	0.158	31%	0.311	C	S	.	.	H	α-helix	trans	-56.3	-30.3	-176.6	-68.4	0	0	0	0	113.9	M79 P86 E194 L195 F196 P210 L213	M79-V192 HydrophobicContact CE-CG1 4.25Å; P86-V192 HydrophobicContact CB-CG1 4.29Å; P86-V192 HydrophobicContact CG-CG1 4.09Å; P86-V192 HydrophobicContact CG-CG2 3.79Å; P86-V192 PolarHBondContact O-N 3.46Å; P86-V192 VanDerWaalsContact O-N 3.15Å; V192-E194 VanDerWaalsContact C-N 3.29Å; V192-E194 PolarHBondContact O-N 3.05Å; V192-L195 PolarHBondContact O-N 3.38Å; V192-F196 PolarHBondContact O-N 2.89Å; V192-F196 VanDerWaalsContact O-N 3.1Å; V192-P210 HydrophobicContact CB-CB 4.32Å; V192-P210 HydrophobicContact CB-CG 4.18Å; V192-P210 WeakPolarHBondContact O-CG 3.49Å; V192-L213 HydrophobicContact CG1-CD1 4.5Å
193	F	97.3	Very high	96.6	Very high	138 Å²	138	63 Å²	63	61%	0.605	32%	0.323	S	S	*	.	H	α-helix	trans	-69.3	-26.9	178.4	69.7	-110.2	0	0	0	112.8	L85 P191	L85-F193 HydrophobicContact CD1-CD1 4.29Å; L85-F193 HydrophobicContact CD2-CD1 3.64Å; L85-F193 HydrophobicContact CD2-CE1 3.34Å; P191-F193 HydrophobicContact CB-CD1 3.82Å; P191-F193 HydrophobicContact CB-CE1 3.54Å; P191-F193 HydrophobicContact CB-CE2 4.5Å; P191-F193 HydrophobicContact CB-CG 4.43Å; P191-F193 HydrophobicContact CB-CZ 3.88Å; P191-F193 HydrophobicContact CG-CD1 4.37Å; P191-F193 HydrophobicContact CG-CE1 3.81Å; P191-F193 HydrophobicContact CG-CE2 4.03Å; P191-F193 HydrophobicContact CG-CZ 3.58Å; P191-F193 PolarHBondContact O-N 3.07Å
194	E	97.7	Very high	96.7	Very high	82 Å²	82	60.9 Å²	60.9	38%	0.383	32%	0.321	S	S	.	.	H	α-helix	trans	-77.7	-30.3	179.3	-170.9	-173	158.1	0	0	111.3	P191 V192 N198 Y202	P191-E194 WeakPolarHBondContact CD-OE2 3.27Å; P191-E194 HydrophobicContact CG-CB 3.95Å; P191-E194 WeakPolarHBondContact O-CB 3.44Å; P191-E194 PolarHBondContact O-N 3.47Å; V192-E194 VanDerWaalsContact C-N 3.29Å; V192-E194 PolarHBondContact O-N 3.05Å; E194-N198 WeakPolarHBondContact O-CB 3.38Å; E194-N198 PolarHBondContact O-ND2 2.99Å; E194-N198 VanDerWaalsContact O-ND2 3.13Å; E194-Y202 VanDerWaalsContact CD-OH 3.24Å; E194-Y202 HydrophobicContact CG-CE2 4.05Å; E194-Y202 PolarHBondContact OE1-OH 2.7Å
195	L	98.2	Very high	96.9	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-75.5	-38	176.1	-54	-175.1	0	0	0	111.6	V88 L90 A190 P191 V192 D197 N198 Y202 I206 A207 P210	V88-L195 HydrophobicContact CB-CD1 3.92Å; V88-L195 HydrophobicContact CG2-CD1 3.65Å; L90-L195 HydrophobicContact CD1-CD2 4Å; A190-L195 HydrophobicContact CB-CD1 4.49Å; A190-L195 HydrophobicContact CB-CD2 3.75Å; A190-L195 HydrophobicContact CB-CG 4.28Å; P191-L195 PolarHBondContact O-N 3.08Å; V192-L195 PolarHBondContact O-N 3.38Å; L195-D197 PolarHBondContact O-N 2.77Å; L195-N198 PolarHBondContact O-N 3.48Å; L195-N198 VanDerWaalsContact O-N 3.16Å; L195-Y202 HydrophobicContact CD2-CD1 3.62Å; L195-Y202 HydrophobicContact CD2-CD2 3.8Å; L195-Y202 HydrophobicContact CD2-CE1 3.62Å; L195-Y202 HydrophobicContact CD2-CE2 3.81Å; L195-Y202 HydrophobicContact CD2-CG 3.71Å; L195-I206 HydrophobicContact CD1-CG2 4.16Å; L195-I206 HydrophobicContact CD2-CG2 3.95Å; L195-A207 WeakPolarHBondContact O-CA 3.4Å; L195-A207 WeakPolarHBondContact O-CB 3.11Å; L195-P210 HydrophobicContact CB-CG 3.94Å
196	F	98.2	Very high	97	Very high	111 Å²	111	58.5 Å²	58.5	49%	0.487	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	125.2	-172.2	179.5	-102.2	0	0	0	111.8	V192 N198 P210 Q211	V192-F196 PolarHBondContact O-N 2.89Å; V192-F196 VanDerWaalsContact O-N 3.1Å; F196-N198 PolarHBondContact O-N 3.13Å; F196-N198 VanDerWaalsContact O-N 3.15Å; F196-P210 HydrophobicContact CB-CB 4.15Å; F196-P210 HydrophobicContact CB-CG 3.91Å; F196-P210 HydrophobicContact CD2-CB 4.07Å; F196-Q211 HydrophobicContact CE2-CG 4.24Å
197	D	95.7	Very high	97.2	Very high	130 Å²	130	52 Å²	52	70%	0.695	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	30	177.9	-158.7	29.1	0	0	0	113.8	L195 P199	L195-D197 PolarHBondContact O-N 2.77Å; D197-P199 VanDerWaalsContact O-CD 3.28Å; D197-P199 WeakPolarHBondContact O-CD 3.48Å
198	N	97.3	Very high	97.3	Very high	44 Å²	44	52.2 Å²	52.2	24%	0.235	29%	0.286	C	S	.	.			trans	-119.2	57.2	179.5	-168.2	1.9	0	0	0	113.5	E194 L195 F196 H200 S201 Y202	E194-N198 WeakPolarHBondContact O-CB 3.38Å; E194-N198 PolarHBondContact O-ND2 2.99Å; E194-N198 VanDerWaalsContact O-ND2 3.13Å; L195-N198 PolarHBondContact O-N 3.48Å; L195-N198 VanDerWaalsContact O-N 3.16Å; F196-N198 PolarHBondContact O-N 3.13Å; F196-N198 VanDerWaalsContact O-N 3.15Å; N198-H200 PolarHBondContact O-N 2.71Å; N198-S201 PolarHBondContact O-N 2.79Å; N198-S201 PolarHBondContact OD1-N 2.82Å; N198-S201 PolarHBondContact OD1-OG 2.94Å; N198-Y202 HydrophobicContact CB-CD2 4.18Å; N198-Y202 PolarHBondContact O-N 2.88Å; N198-Y202 VanDerWaalsContact O-N 3.11Å
199	P	96.5	Very high	97.3	Very high	68 Å²	68	50.3 Å²	50.3	44%	0.442	27%	0.274	S	S	.	.	H	α-helix	trans	-69.4	-15.6	-179.8	31	-36.9	0	0	0	113	D197 G203 A207	D197-P199 VanDerWaalsContact O-CD 3.28Å; D197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-G203 WeakPolarHBondContact O-CA 3.43Å; P199-G203 PolarHBondContact O-N 2.72Å; P199-A207 HydrophobicContact CB-CB 4.24Å
200	H	95.5	Very high	97.3	Very high	180 Å²	180	49.8 Å²	49.8	83%	0.833	27%	0.268	S	S	*	.	H	α-helix	trans	-66.9	-45	177.6	-174.7	68	0	0	0	111.5	N198	N198-H200 PolarHBondContact O-N 2.71Å
201	S	95.8	Very high	97.3	Very high	54 Å²	54	53.9 Å²	53.9	38%	0.378	29%	0.287	S	S	.	.	H	α-helix	trans	-86.7	-39.6	179.3	-60.6	0	0	0	0	112.8	N198	N198-S201 PolarHBondContact O-N 2.79Å; N198-S201 PolarHBondContact OD1-N 2.82Å; N198-S201 PolarHBondContact OD1-OG 2.94Å
202	Y	97.2	Very high	97.2	Very high	20 Å²	20	54.3 Å²	54.3	8%	0.078	29%	0.291	C	S	.	.	H	α-helix	trans	-106.9	-7.3	-169.2	-68.7	-73.5	0	0	0	114.2	L90 F98 E194 L195 N198 I206	L90-Y202 HydrophobicContact CD1-CD1 3.9Å; L90-Y202 HydrophobicContact CD1-CE1 3.78Å; F98-Y202 HydrophobicContact CB-CD1 4.09Å; F98-Y202 HydrophobicContact CB-CE1 4.38Å; F98-Y202 HydrophobicContact CD1-CE1 4.06Å; F98-Y202 AromaticContact CD2-CD1 3.9Å; F98-Y202 HydrophobicContact CD2-CD1 3.9Å; F98-Y202 AromaticContact CD2-CE1 3.76Å; F98-Y202 HydrophobicContact CD2-CE1 3.76Å; F98-Y202 HydrophobicContact CE1-CE1 4.26Å; F98-Y202 AromaticContact CE2-CE1 3.99Å; F98-Y202 HydrophobicContact CE2-CE1 3.99Å; F98-Y202 AromaticContact CG-CD1 3.95Å; F98-Y202 HydrophobicContact CG-CD1 3.95Å; F98-Y202 AromaticContact CG-CE1 3.8Å; F98-Y202 HydrophobicContact CG-CE1 3.8Å; F98-Y202 HydrophobicContact CZ-CE1 4.23Å; E194-Y202 VanDerWaalsContact CD-OH 3.24Å; E194-Y202 HydrophobicContact CG-CE2 4.05Å; E194-Y202 PolarHBondContact OE1-OH 2.7Å; L195-Y202 HydrophobicContact CD2-CD1 3.62Å; L195-Y202 HydrophobicContact CD2-CD2 3.8Å; L195-Y202 HydrophobicContact CD2-CE1 3.62Å; L195-Y202 HydrophobicContact CD2-CE2 3.81Å; L195-Y202 HydrophobicContact CD2-CG 3.71Å; N198-Y202 HydrophobicContact CB-CD2 4.18Å; N198-Y202 PolarHBondContact O-N 2.88Å; N198-Y202 VanDerWaalsContact O-N 3.11Å; Y202-I206 HydrophobicContact CD1-CG2 4.1Å; Y202-I206 HydrophobicContact CG-CG2 4.28Å; Y202-I206 WeakPolarHBondContact O-CB 3.08Å
203	G	95.8	Very high	97.2	Very high	23 Å²	23	53.2 Å²	53.2	24%	0.237	28%	0.284	C	S	.	.	H	α-helix	trans	72.6	161.8	-170.5	0	0	0	0	0	112.6	P199 L205 A207	P199-G203 WeakPolarHBondContact O-CA 3.43Å; P199-G203 PolarHBondContact O-N 2.72Å; G203-L205 VanDerWaalsContact C-N 3.27Å; G203-L205 PolarHBondContact O-N 2.8Å; G203-A207 WeakPolarHBondContact O-CB 3.46Å; G203-A207 PolarHBondContact O-N 2.68Å
204	P	96.8	Very high	97.1	Very high	76 Å²	76	51.1 Å²	51.1	49%	0.494	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-29.7	-171.1	25.2	-35.1	0	0	0	113.8	W142 S208	W142-P204 HydrophobicContact CH2-CB 4.06Å; W142-P204 HydrophobicContact CZ3-CB 4.18Å; W142-P204 HydrophobicContact CZ3-CG 4.43Å; P204-S208 WeakPolarHBondContact O-CB 3.45Å; P204-S208 PolarHBondContact O-N 2.97Å; P204-S208 PolarHBondContact O-OG 2.67Å
205	L	96.8	Very high	96.9	Very high	16 Å²	16	52 Å²	52	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-70.8	-55.3	-178.2	-179.9	158.6	0	0	0	111.1	E75 L100 W142 T166 L168 G203 S208	E75-L205 WeakPolarHBondContact OE2-CD2 3.41Å; L100-L205 HydrophobicContact CD1-CD2 3.81Å; W142-L205 HydrophobicContact CD2-CB 4.41Å; W142-L205 HydrophobicContact CD2-CD1 4.4Å; W142-L205 HydrophobicContact CD2-CG 4.46Å; W142-L205 HydrophobicContact CG-CD1 4.1Å; W142-L205 HydrophobicContact CZ2-CB 4.25Å; T166-L205 HydrophobicContact CG2-CD1 4.28Å; L168-L205 HydrophobicContact CD1-CD1 3.88Å; L168-L205 HydrophobicContact CD1-CD2 4.34Å; L168-L205 HydrophobicContact CD1-CG 4.12Å; L168-L205 HydrophobicContact CD2-CD2 3.57Å; L168-L205 HydrophobicContact CD2-CG 3.98Å; L168-L205 HydrophobicContact CG-CD2 4.24Å; G203-L205 VanDerWaalsContact C-N 3.27Å; G203-L205 PolarHBondContact O-N 2.8Å; L205-S208 PolarHBondContact O-N 2.81Å; L205-S208 PolarHBondContact O-OG 3.1Å
206	I	98.3	Very high	96.8	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-68.3	-39.7	-179.3	-61.4	173.6	0	0	0	110.3	L90 F98 L100 L195 Y202 S208 L209	L90-I206 HydrophobicContact CD1-CG2 3.99Å; L90-I206 HydrophobicContact CD2-CD1 4.13Å; L90-I206 HydrophobicContact CD2-CG2 4.11Å; F98-I206 HydrophobicContact CB-CD1 4.31Å; L100-I206 HydrophobicContact CG-CG1 4.36Å; L195-I206 HydrophobicContact CD1-CG2 4.16Å; L195-I206 HydrophobicContact CD2-CG2 3.95Å; Y202-I206 HydrophobicContact CD1-CG2 4.1Å; Y202-I206 HydrophobicContact CG-CG2 4.28Å; Y202-I206 WeakPolarHBondContact O-CB 3.08Å; I206-S208 PolarHBondContact O-N 2.84Å; I206-S208 VanDerWaalsContact O-N 3.1Å; I206-L209 HydrophobicContact CG2-CD1 4.13Å; I206-L209 VanDerWaalsContact O-CB 3.31Å; I206-L209 WeakPolarHBondContact O-CB 3.4Å; I206-L209 WeakPolarHBondContact O-CG 3.39Å; I206-L209 PolarHBondContact O-N 2.99Å
207	A	98.1	Very high	96.6	Very high	6 Å²	6	49.7 Å²	49.7	5%	0.05	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-15.8	179.4	0	0	0	0	0	114.4	L195 P199 G203 Q211	L195-A207 WeakPolarHBondContact O-CA 3.4Å; L195-A207 WeakPolarHBondContact O-CB 3.11Å; P199-A207 HydrophobicContact CB-CB 4.24Å; G203-A207 WeakPolarHBondContact O-CB 3.46Å; G203-A207 PolarHBondContact O-N 2.68Å; A207-Q211 PolarHBondContact O-OE1 3.04Å
208	S	97.9	Very high	96.6	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-6.4	176.1	75	0	0	0	0	114.3	W142 P204 L205 I206 P210 Q211 A212	W142-S208 WeakPolarHBondContact CZ2-OG 3.46Å; P204-S208 WeakPolarHBondContact O-CB 3.45Å; P204-S208 PolarHBondContact O-N 2.97Å; P204-S208 PolarHBondContact O-OG 2.67Å; L205-S208 PolarHBondContact O-N 2.81Å; L205-S208 PolarHBondContact O-OG 3.1Å; I206-S208 PolarHBondContact O-N 2.84Å; I206-S208 VanDerWaalsContact O-N 3.1Å; S208-P210 VanDerWaalsContact C-CD 3.45Å; S208-Q211 VanDerWaalsContact C-OE1 3.24Å; S208-Q211 VanDerWaalsContact CA-OE1 3.27Å; S208-Q211 PolarHBondContact O-N 2.91Å; S208-Q211 PolarHBondContact O-OE1 2.76Å; S208-A212 PolarHBondContact O-N 3.25Å
209	L	98.4	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-40.5	-178.9	-71.4	177.7	0	0	0	113.3	V77 V88 L100 L168 I206 Q211 A212 L213	V77-L209 HydrophobicContact CG1-CD1 4.41Å; V77-L209 HydrophobicContact CG2-CD1 4.24Å; V77-L209 HydrophobicContact CG2-CD2 3.74Å; V88-L209 HydrophobicContact CG1-CD1 4.04Å; V88-L209 HydrophobicContact CG2-CD1 4.19Å; L100-L209 HydrophobicContact CD1-CD1 4.38Å; L100-L209 HydrophobicContact CD2-CD1 4.25Å; L168-L209 HydrophobicContact CD2-CD2 3.72Å; I206-L209 HydrophobicContact CG2-CD1 4.13Å; I206-L209 VanDerWaalsContact O-CB 3.31Å; I206-L209 WeakPolarHBondContact O-CB 3.4Å; I206-L209 WeakPolarHBondContact O-CG 3.39Å; I206-L209 PolarHBondContact O-N 2.99Å; L209-Q211 PolarHBondContact O-N 3.36Å; L209-A212 PolarHBondContact O-N 3.43Å; L209-L213 HydrophobicContact CB-CD1 4.14Å; L209-L213 VanDerWaalsContact O-CB 3.32Å; L209-L213 WeakPolarHBondContact O-CB 3.45Å; L209-L213 WeakPolarHBondContact O-CG 3.49Å; L209-L213 PolarHBondContact O-N 3.02Å
210	P	98.3	Very high	96.6	Very high	18 Å²	18	45 Å²	45	12%	0.117	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-38.4	178.8	-27	37.9	0	0	0	112.7	V192 L195 F196 S208 S214	V192-P210 HydrophobicContact CB-CB 4.32Å; V192-P210 HydrophobicContact CB-CG 4.18Å; V192-P210 WeakPolarHBondContact O-CG 3.49Å; L195-P210 HydrophobicContact CB-CG 3.94Å; F196-P210 HydrophobicContact CB-CB 4.15Å; F196-P210 HydrophobicContact CB-CG 3.91Å; F196-P210 HydrophobicContact CD2-CB 4.07Å; S208-P210 VanDerWaalsContact C-CD 3.45Å; P210-S214 PolarHBondContact O-N 2.87Å; P210-S214 VanDerWaalsContact O-N 3.1Å
211	Q	97.6	Very high	96.4	Very high	90 Å²	90	41.8 Å²	41.8	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-66.5	-45.8	174.7	-64.2	86.9	-21	0	0	111.2	F196 A207 S208 L209 L213 S214	F196-Q211 HydrophobicContact CE2-CG 4.24Å; A207-Q211 PolarHBondContact O-OE1 3.04Å; S208-Q211 VanDerWaalsContact C-OE1 3.24Å; S208-Q211 VanDerWaalsContact CA-OE1 3.27Å; S208-Q211 PolarHBondContact O-N 2.91Å; S208-Q211 PolarHBondContact O-OE1 2.76Å; L209-Q211 PolarHBondContact O-N 3.36Å; Q211-L213 VanDerWaalsContact C-N 3.28Å; Q211-L213 PolarHBondContact O-N 3.46Å; Q211-S214 WeakPolarHBondContact O-CB 3.43Å; Q211-S214 PolarHBondContact O-N 3.32Å; Q211-S214 PolarHBondContact O-OG 2.97Å
212	A	96.4	Very high	96.5	Very high	22 Å²	22	41.2 Å²	41.2	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-31.8	-179.6	0	0	0	0	0	113	L139 S208 L209	L139-A212 HydrophobicContact CB-CB 4.47Å; S208-A212 PolarHBondContact O-N 3.25Å; L209-A212 PolarHBondContact O-N 3.43Å
213	L	96.9	Very high	96.4	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-83.3	-17.1	179.8	-67.4	167	0	0	0	112.8	V77 M79 V88 L139 L170 V192 L209 Q211 R215 F216 F218	V77-L213 HydrophobicContact CG1-CD1 4.47Å; V77-L213 HydrophobicContact CG1-CD2 4.38Å; M79-L213 HydrophobicContact CE-CD1 3.97Å; M79-L213 HydrophobicContact CG-CD2 4.47Å; M79-L213 HydrophobicContact SD-CD1 3.62Å; M79-L213 HydrophobicContact SD-CD2 4.32Å; V88-L213 HydrophobicContact CG2-CD1 4.1Å; L139-L213 HydrophobicContact CD1-CD2 4.01Å; L139-L213 HydrophobicContact CD2-CD2 4.03Å; L170-L213 HydrophobicContact CD1-CD2 4.08Å; V192-L213 HydrophobicContact CG1-CD1 4.5Å; L209-L213 HydrophobicContact CB-CD1 4.14Å; L209-L213 VanDerWaalsContact O-CB 3.32Å; L209-L213 WeakPolarHBondContact O-CB 3.45Å; L209-L213 WeakPolarHBondContact O-CG 3.49Å; L209-L213 PolarHBondContact O-N 3.02Å; Q211-L213 VanDerWaalsContact C-N 3.28Å; Q211-L213 PolarHBondContact O-N 3.46Å; L213-R215 PolarHBondContact O-N 3.24Å; L213-F216 HydrophobicContact CD2-CD2 4.39Å; L213-F216 HydrophobicContact CD2-CE2 4.45Å; L213-F216 WeakPolarHBondContact O-CD2 3.41Å; L213-F216 PolarHBondContact O-N 3.14Å; L213-F218 HydrophobicContact CB-CE2 4.39Å; L213-F218 HydrophobicContact CB-CZ 4.19Å; L213-F218 HydrophobicContact CD2-CZ 4.23Å
214	S	95.7	Very high	96.5	Very high	95 Å²	95	43.4 Å²	43.4	66%	0.664	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16	-174.5	67.8	0	0	0	0	115.4	P210 Q211	P210-S214 PolarHBondContact O-N 2.87Å; P210-S214 VanDerWaalsContact O-N 3.1Å; Q211-S214 WeakPolarHBondContact O-CB 3.43Å; Q211-S214 PolarHBondContact O-N 3.32Å; Q211-S214 PolarHBondContact O-OG 2.97Å
215	R	94.6	Very high	96.4	Very high	99 Å²	99	41.5 Å²	41.5	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.3	179.1	70.8	172.6	176.3	100.3	-12.1	115	D137 T138 L213	D137-R215 IonicContact OD1-CZ 3.58Å; D137-R215 IonicContact OD1-NH2 3.48Å; D137-R215 PolarHBondContact OD1-NH2 3.42Å; D137-R215 IonicContact OD2-CZ 3.88Å; D137-R215 VanDerWaalsContact OD2-CZ 3.29Å; D137-R215 IonicContact OD2-NH1 2.71Å; D137-R215 PolarHBondContact OD2-NH1 2.92Å; D137-R215 IonicContact OD2-NH2 3.58Å; D137-R215 PolarHBondContact OD2-NH2 3.43Å; T138-R215 PolarHBondContact O-NH2 3.27Å; L213-R215 PolarHBondContact O-N 3.24Å
216	F	94.7	Very high	96.4	Very high	15 Å²	15	43.1 Å²	43.1	7%	0.066	22%	0.224	C	C	.	.	S	Bend	trans	-86.6	145.5	-177.7	-63.9	-81.8	0	0	0	110.7	R29 I31 D137 L139 L170 L213 F218	R29-F216 HydrophobicContact CB-CD1 3.92Å; R29-F216 HydrophobicContact CB-CE1 4.2Å; R29-F216 HydrophobicContact CG-CD1 4.15Å; R29-F216 HydrophobicContact CG-CE1 4.2Å; R29-F216 WeakPolarHBondContact O-CA 3.49Å; I31-F216 HydrophobicContact CD1-CD1 4.19Å; I31-F216 HydrophobicContact CD1-CE1 4.46Å; I31-F216 HydrophobicContact CG1-CB 4.15Å; I31-F216 HydrophobicContact CG1-CD1 3.53Å; I31-F216 HydrophobicContact CG1-CE1 4.24Å; I31-F216 HydrophobicContact CG1-CG 4.05Å; D137-F216 HydrophobicContact CB-CE1 4.11Å; D137-F216 HydrophobicContact CB-CZ 4.04Å; L139-F216 HydrophobicContact CD2-CD2 4.47Å; L139-F216 HydrophobicContact CD2-CE2 3.31Å; L139-F216 HydrophobicContact CD2-CZ 3.65Å; L170-F216 HydrophobicContact CD2-CD1 4.02Å; L170-F216 HydrophobicContact CD2-CD2 4.27Å; L170-F216 HydrophobicContact CD2-CE1 3.72Å; L170-F216 HydrophobicContact CD2-CE2 4.03Å; L170-F216 HydrophobicContact CD2-CG 4.28Å; L170-F216 HydrophobicContact CD2-CZ 3.72Å; L213-F216 HydrophobicContact CD2-CD2 4.39Å; L213-F216 HydrophobicContact CD2-CE2 4.45Å; L213-F216 WeakPolarHBondContact O-CD2 3.41Å; L213-F216 PolarHBondContact O-N 3.14Å; F216-F218 HydrophobicContact CB-CD1 4.37Å; F216-F218 HydrophobicContact CB-CE1 3.87Å; F216-F218 HydrophobicContact CB-CE2 4.28Å; F216-F218 HydrophobicContact CB-CZ 3.82Å; F216-F218 HydrophobicContact CD2-CZ 4.41Å; F216-F218 HydrophobicContact CG-CZ 4.44Å; F216-F218 PolarHBondContact O-N 3.38Å
217	N	94.4	Very high	96.3	Very high	48 Å²	48	45.5 Å²	45.5	26%	0.257	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	99	170	-176.4	7.6	0	0	0	108.5	R29 V30 I31	R29-N217 PolarHBondContact O-N 2.82Å; V30-N217 WeakPolarHBondContact CA-O 3.39Å; V30-N217 HydrophobicContact CG2-CB 4.26Å; I31-N217 PolarHBondContact N-O 3.03Å
218	F	95.8	Very high	96.2	Very high	28 Å²	28	48.3 Å²	48.3	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.8	180	-65.2	-57.7	0	0	0	111.4	I31 L33 M79 L213 F216 Y220	I31-F218 HydrophobicContact CB-CD1 3.84Å; I31-F218 HydrophobicContact CB-CE1 3.96Å; I31-F218 HydrophobicContact CG2-CD1 3.96Å; I31-F218 HydrophobicContact CG2-CE1 3.89Å; I31-F218 WeakPolarHBondContact O-CA 3.28Å; L33-F218 HydrophobicContact CD1-CB 3.85Å; L33-F218 HydrophobicContact CD1-CD1 3.69Å; L33-F218 HydrophobicContact CD1-CD2 4.39Å; L33-F218 HydrophobicContact CD1-CE1 4.35Å; L33-F218 HydrophobicContact CD1-CG 3.72Å; L33-F218 HydrophobicContact CD2-CD1 3.91Å; L33-F218 HydrophobicContact CD2-CE1 4.22Å; L33-F218 HydrophobicContact CG-CB 4.16Å; L33-F218 HydrophobicContact CG-CD1 3.73Å; L33-F218 HydrophobicContact CG-CE1 4.49Å; L33-F218 HydrophobicContact CG-CG 4.15Å; M79-F218 HydrophobicContact CE-CZ 4.46Å; L213-F218 HydrophobicContact CB-CE2 4.39Å; L213-F218 HydrophobicContact CB-CZ 4.19Å; L213-F218 HydrophobicContact CD2-CZ 4.23Å; F216-F218 HydrophobicContact CB-CD1 4.37Å; F216-F218 HydrophobicContact CB-CE1 3.87Å; F216-F218 HydrophobicContact CB-CE2 4.28Å; F216-F218 HydrophobicContact CB-CZ 3.82Å; F216-F218 HydrophobicContact CD2-CZ 4.41Å; F216-F218 HydrophobicContact CG-CZ 4.44Å; F216-F218 PolarHBondContact O-N 3.38Å; F218-Y220 HydrophobicContact CB-CE1 4.5Å; F218-Y220 HydrophobicContact CB-CE2 4.33Å
219	I	96.6	Very high	96	Very high	32 Å²	32	49.8 Å²	49.8	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	115.4	170.3	-49.5	-59.1	0	0	0	107.7	L20 V30 I31 L33 I221	L20-I219 HydrophobicContact CD2-CD1 3.77Å; V30-I219 HydrophobicContact CG1-CD1 4.24Å; V30-I219 HydrophobicContact CG1-CG1 3.54Å; I31-I219 PolarHBondContact O-N 2.96Å; L33-I219 PolarHBondContact N-O 3.41Å; I219-I221 HydrophobicContact CB-CD1 4.37Å; I219-I221 HydrophobicContact CG2-CD1 3.55Å; I219-I221 HydrophobicContact CG2-CG1 4.36Å; I219-I221 PolarHBondContact O-N 3.24Å
220	Y	96.7	Very high	95.9	Very high	84 Å²	84	53.9 Å²	53.9	33%	0.329	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	100.9	175	-53.1	-82.7	0	0	0	108	L33 H81 N84 P86 F218	L33-Y220 HydrophobicContact CB-CD1 4.5Å; L33-Y220 HydrophobicContact CD1-CD1 4.33Å; L33-Y220 HydrophobicContact CD1-CE1 3.92Å; H81-Y220 HydrophobicContact CB-CD1 3.57Å; H81-Y220 HydrophobicContact CB-CE1 3.98Å; H81-Y220 AromaticContact CG-CD1 3.68Å; N84-Y220 HydrophobicContact CB-CD1 4.28Å; N84-Y220 HydrophobicContact CB-CD2 4.36Å; N84-Y220 HydrophobicContact CB-CG 4.09Å; N84-Y220 WeakPolarHBondContact O-CE1 3.22Å; N84-Y220 WeakPolarHBondContact OD1-CB 3.39Å; P86-Y220 HydrophobicContact CB-CE1 4.45Å; P86-Y220 WeakPolarHBondContact CD-OH 3.35Å; F218-Y220 HydrophobicContact CB-CE1 4.5Å; F218-Y220 HydrophobicContact CB-CE2 4.33Å
221	I	92.5	Very high	95.6	Very high	113 Å²	113	57.2 Å²	57.2	58%	0.579	29%	0.289	S	S	*	.			trans	-81.3	0	178.5	-53.4	-66.2	0	0	0	110.1	N32 L33 Y34 P35 H81 I219	N32-I221 HydrophobicContact CB-CG1 4.28Å; L33-I221 PolarHBondContact O-N 3.35Å; Y34-I221 HydrophobicContact CD1-CB 3.73Å; Y34-I221 HydrophobicContact CD1-CG1 4.2Å; Y34-I221 HydrophobicContact CD1-CG2 3.9Å; Y34-I221 HydrophobicContact CE1-CB 3.86Å; Y34-I221 HydrophobicContact CE1-CG1 3.92Å; Y34-I221 HydrophobicContact CE1-CG2 3.81Å; P35-I221 WeakPolarHBondContact CD-O 3.38Å; H81-I221 PolarHBondContact CE1-O 2.86Å; H81-I221 PolarHBondContact NE2-O 3.07Å; I219-I221 HydrophobicContact CB-CD1 4.37Å; I219-I221 HydrophobicContact CG2-CD1 3.55Å; I219-I221 HydrophobicContact CG2-CG1 4.36Å; I219-I221 PolarHBondContact O-N 3.24Å

Retrieved 221 of 221 residues in 88.7 ms (Link to these results)

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