A0A087YAZ6_POEFO Loading...

rRNA methyltransferase 2, mitochondrial

S-adenosyl-L-methionine-dependent 2'-O-ribose methyltransferase that catalyzes the formation of 2'-O-methyluridine at position 1369 (Um1369) in the 16S mitochondrial large subunit ribosomal RNA (mtLSU rRNA), a universally conserved modification in the peptidyl transferase domain of the mtLSU rRNA. This activity may require prior 2'-O-methylguanosine modification at position 1370 (Gm1370) by MRM3. Essential for late-stage assembly of mtLSU required for efficient translation of mitochondrial DNA encoded proteins; methyltransferase activity is not required for this function. Essential for mitochondrial respiratory function.

AlphaFold DB , UniProt , Accession A0A087YAZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 239 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	39.5	Very low	230 Å²	230	182.5 Å²	182.5	100%	1.133	85%	0.854	S	S	*	*				0	89.7	0	-164.1	168.7	167.1	0	0	107.2
2	W	29.8	Very low	39.2	Very low	255 Å²	255	183 Å²	183	97%	0.966	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-104	119.5	-179.1	-79.1	79.2	0	0	0	108.2
3	I	33.8	Very low	39.4	Very low	155 Å²	155	176.5 Å²	176.5	80%	0.795	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-81.7	130.1	-172.8	-67.8	167.1	0	0	0	109.4	S5	I3-S5 PolarHBondContact O-N 2.94Å
4	F	38	Very low	40.4	Very low	193 Å²	193	168.4 Å²	168.4	85%	0.846	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-63.8	119.5	170.4	-83.5	-95	0	0	0	110.6
5	S	37	Very low	41.1	Very low	102 Å²	102	165.3 Å²	165.3	71%	0.713	80%	0.801	S	S	*	*			trans	-101.6	103	161.7	169.2	0	0	0	0	108.8	I3 Q7	I3-S5 PolarHBondContact O-N 2.94Å; S5-Q7 PolarHBondContact O-N 2.62Å
6	V	47.2	Very low	42.3	Very low	129 Å²	129	158.9 Å²	158.9	78%	0.782	78%	0.779	S	S	*	*			trans	-75.2	97.1	167.2	175	0	0	0	0	107.6	R8	V6-R8 PolarHBondContact O-N 3.45Å
7	Q	40.3	Very low	43.6	Very low	176 Å²	176	151.6 Å²	151.6	82%	0.822	75%	0.745	S	S	*	*			trans	-85.4	114.3	170.3	-142.5	167	1.7	0	0	109.2	S5 R9	S5-Q7 PolarHBondContact O-N 2.62Å; Q7-R9 PolarHBondContact O-N 2.81Å
8	R	38.5	Very low	44.8	Very low	238 Å²	238	147.8 Å²	147.8	90%	0.898	73%	0.732	S	S	*	*			trans	-54.1	117.5	-179.2	-68.5	179.6	173.4	-155.2	-1.7	111.1	V6	V6-R8 PolarHBondContact O-N 3.45Å
9	R	48.8	Very low	46.1	Very low	229 Å²	229	149.1 Å²	149.1	86%	0.864	73%	0.733	S	S	*	*			trans	-80.2	158.1	160.6	-91.5	-175.9	173.6	-173.5	-0.6	110.3	Q7	Q7-R9 PolarHBondContact O-N 2.81Å
10	C	47.1	Very low	47.4	Very low	109 Å²	109	147.6 Å²	147.6	74%	0.736	72%	0.722	S	S	*	*			trans	90	100.2	163.1	-63.3	0	0	0	0	116.6
11	F	39.8	Very low	48.9	Very low	191 Å²	191	141.8 Å²	141.8	84%	0.838	69%	0.694	S	S	*	*	S	Bend	trans	-158.7	15	137.2	-91.1	-64.2	0	0	0	114.6
12	H	36.7	Very low	51.1	Low	189 Å²	189	139.7 Å²	139.7	88%	0.875	68%	0.679	S	S	*	*	S	Bend	trans	-105.8	1.3	-178	-117.6	68.3	0	0	0	115.9
13	C	41.6	Very low	53.7	Low	99 Å²	99	131.7 Å²	131.7	67%	0.669	68%	0.675	S	S	*	*	S	Bend	trans	-103.9	-9.1	-178.1	-152.7	0	0	0	0	114	V17	C13-V17 WeakPolarHBondContact O-CG2 3.49Å
14	S	52.8	Low	56.2	Low	63 Å²	63	128 Å²	128	44%	0.441	65%	0.653	S	S	.	*	H	α-helix	trans	-82.2	-40.7	-173.6	59.3	0	0	0	0	113.3	S16 V17 T18	S14-S16 PolarHBondContact O-N 3.02Å; S14-V17 PolarHBondContact O-N 3.09Å; S14-T18 WeakPolarHBondContact O-CG2 3.24Å; S14-T18 PolarHBondContact O-N 3.46Å; S14-T18 PolarHBondContact O-OG1 3Å; S14-T18 VanDerWaalsContact O-OG1 3.1Å
15	L	50.7	Low	58.6	Low	122 Å²	122	122.7 Å²	122.7	64%	0.639	64%	0.637	S	S	*	*	H	α-helix	trans	-69.4	-33.1	-173.9	-73.5	166.2	0	0	0	113.8	T18 K19	L15-T18 WeakPolarHBondContact CA-OG1 3.42Å; L15-T18 PolarHBondContact O-OG1 3.34Å; L15-T18 VanDerWaalsContact O-OG1 3.05Å; L15-K19 WeakPolarHBondContact O-CG 3.47Å; L15-K19 PolarHBondContact O-N 3.2Å
16	S	61.5	Low	61	Low	63 Å²	63	121 Å²	121	44%	0.441	63%	0.629	S	S	.	*	H	α-helix	trans	-74.4	-34.6	178.4	63	0	0	0	0	111.9	S14 K20	S14-S16 PolarHBondContact O-N 3.02Å; S16-K20 WeakPolarHBondContact O-CG 3.48Å; S16-K20 PolarHBondContact O-N 3.28Å
17	V	64.4	Low	62.7	Low	35 Å²	35	119.1 Å²	119.1	21%	0.212	62%	0.618	C	S	.	*	H	α-helix	trans	-73.1	-43.8	177.2	176.6	0	0	0	0	110.6	C13 S14 K19 K20 L21 L33 L36	C13-V17 WeakPolarHBondContact O-CG2 3.49Å; S14-V17 PolarHBondContact O-N 3.09Å; V17-K19 VanDerWaalsContact C-N 3.32Å; V17-K19 PolarHBondContact O-N 3.09Å; V17-K20 PolarHBondContact O-N 3.08Å; V17-K20 VanDerWaalsContact O-N 3.08Å; V17-L21 HydrophobicContact CG1-CD1 3.71Å; V17-L21 HydrophobicContact CG1-CG 4.33Å; V17-L21 VanDerWaalsContact O-CG 3.26Å; V17-L21 WeakPolarHBondContact O-CG 3.21Å; V17-L21 PolarHBondContact O-N 3.2Å; V17-L21 VanDerWaalsContact O-N 3.14Å; V17-L33 HydrophobicContact CG1-CD2 3.99Å; V17-L36 HydrophobicContact CG1-CD1 4.38Å; V17-L36 HydrophobicContact CG2-CD1 4.21Å
18	T	64.1	Low	64.8	Low	82 Å²	82	114.8 Å²	114.8	50%	0.503	60%	0.598	S	S	.	*	H	α-helix	trans	-62	-38.6	177.1	50.7	0	0	0	0	112.3	S14 L15 K20 L21 K22	S14-T18 WeakPolarHBondContact O-CG2 3.24Å; S14-T18 PolarHBondContact O-N 3.46Å; S14-T18 PolarHBondContact O-OG1 3Å; S14-T18 VanDerWaalsContact O-OG1 3.1Å; L15-T18 WeakPolarHBondContact CA-OG1 3.42Å; L15-T18 PolarHBondContact O-OG1 3.34Å; L15-T18 VanDerWaalsContact O-OG1 3.05Å; T18-K20 PolarHBondContact O-N 2.99Å; T18-L21 PolarHBondContact O-N 3.46Å; T18-K22 PolarHBondContact O-N 3.16Å; T18-K22 VanDerWaalsContact O-N 3.16Å
19	K	70.1	Confident	67.1	Low	172 Å²	172	106.9 Å²	106.9	75%	0.748	57%	0.571	S	S	*	*	H	α-helix	trans	-60	-41.9	171.1	-77.8	-177.7	-179.8	-176.9	0	112.7	L15 V17 L21	L15-K19 WeakPolarHBondContact O-CG 3.47Å; L15-K19 PolarHBondContact O-N 3.2Å; V17-K19 VanDerWaalsContact C-N 3.32Å; V17-K19 PolarHBondContact O-N 3.09Å; K19-L21 VanDerWaalsContact C-N 3.25Å; K19-L21 PolarHBondContact O-N 3.15Å
20	K	73.1	Confident	68.9	Low	119 Å²	119	103.7 Å²	103.7	52%	0.517	56%	0.559	S	S	.	*	H	α-helix	trans	-69.3	-18.8	178.5	-76.5	-176.5	178.1	-174.4	0	114.1	S16 V17 T18 K24 V32	S16-K20 WeakPolarHBondContact O-CG 3.48Å; S16-K20 PolarHBondContact O-N 3.28Å; V17-K20 PolarHBondContact O-N 3.08Å; V17-K20 VanDerWaalsContact O-N 3.08Å; T18-K20 PolarHBondContact O-N 2.99Å; K20-K24 VanDerWaalsContact O-CD 3.27Å; K20-K24 WeakPolarHBondContact O-CD 3.33Å; K20-K24 WeakPolarHBondContact O-CE 3.45Å; K20-V32 HydrophobicContact CB-CG1 4.35Å
21	L	78.3	Confident	70.7	Confident	27 Å²	27	105.7 Å²	105.7	14%	0.141	55%	0.551	C	S	.	*	H	α-helix	trans	-101.8	-15.4	-176.5	-63.6	172.7	0	0	0	113.9	V17 T18 K19 G23 K24 Q29 V32 L33	V17-L21 HydrophobicContact CG1-CD1 3.71Å; V17-L21 HydrophobicContact CG1-CG 4.33Å; V17-L21 VanDerWaalsContact O-CG 3.26Å; V17-L21 WeakPolarHBondContact O-CG 3.21Å; V17-L21 PolarHBondContact O-N 3.2Å; V17-L21 VanDerWaalsContact O-N 3.14Å; T18-L21 PolarHBondContact O-N 3.46Å; K19-L21 VanDerWaalsContact C-N 3.25Å; K19-L21 PolarHBondContact O-N 3.15Å; L21-G23 PolarHBondContact O-N 3.3Å; L21-K24 PolarHBondContact O-N 3.44Å; L21-Q29 HydrophobicContact CB-CG 4.23Å; L21-Q29 HydrophobicContact CD2-CB 3.86Å; L21-Q29 HydrophobicContact CD2-CG 3.89Å; L21-Q29 PolarHBondContact O-NE2 3.01Å; L21-Q29 VanDerWaalsContact O-NE2 3.13Å; L21-V32 HydrophobicContact CD2-CB 4Å; L21-V32 HydrophobicContact CD2-CG1 3.96Å; L21-L33 HydrophobicContact CD1-CD2 4.09Å; L21-L33 HydrophobicContact CD1-CG 4.35Å; L21-L33 HydrophobicContact CD2-CG 4.16Å
22	K	80.2	Confident	72.9	Confident	186 Å²	186	97.3 Å²	97.3	81%	0.809	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	130.5	-178.2	-166.5	176.7	-179.3	-177.9	0	110.7	T18 K24	T18-K22 PolarHBondContact O-N 3.16Å; T18-K22 VanDerWaalsContact O-N 3.16Å; K22-K24 VanDerWaalsContact C-N 3.29Å; K22-K24 PolarHBondContact O-N 3.44Å
23	G	83.7	Confident	75.3	Confident	86 Å²	86	91.5 Å²	91.5	89%	0.887	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	2.5	178.9	0	0	0	0	0	115.8	L21	L21-G23 PolarHBondContact O-N 3.3Å
24	K	86.3	Confident	77.4	Confident	78 Å²	78	92.4 Å²	92.4	34%	0.339	48%	0.48	S	S	.	.			trans	-94	144.5	178.1	-70.2	-177.4	178.6	-72.8	0	111.9	K20 L21 K22 E28 Q29 V32	K20-K24 VanDerWaalsContact O-CD 3.27Å; K20-K24 WeakPolarHBondContact O-CD 3.33Å; K20-K24 WeakPolarHBondContact O-CE 3.45Å; L21-K24 PolarHBondContact O-N 3.44Å; K22-K24 VanDerWaalsContact C-N 3.29Å; K22-K24 PolarHBondContact O-N 3.44Å; K24-E28 HydrophobicContact CB-CB 3.86Å; K24-E28 HydrophobicContact CD-CB 4.27Å; K24-E28 HydrophobicContact CG-CB 4.28Å; K24-Q29 HydrophobicContact CB-CG 3.81Å; K24-Q29 PolarHBondContact O-NE2 3.4Å; K24-V32 HydrophobicContact CD-CG2 3.89Å
25	T	89.7	Confident	79	Confident	82 Å²	82	91.1 Å²	91.1	50%	0.503	47%	0.467	S	S	.	.			trans	-61.5	160.2	169.7	64.4	0	0	0	0	111.4	T27 E28 Q29	T25-T27 PolarHBondContact O-N 3.47Å; T25-E28 WeakPolarHBondContact CB-OE2 3.34Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.42Å; T25-E28 PolarHBondContact N-OE2 3.39Å; T25-E28 PolarHBondContact O-N 2.64Å; T25-E28 VanDerWaalsContact O-N 3.13Å; T25-E28 VanDerWaalsContact OG1-CG 3.23Å; T25-E28 WeakPolarHBondContact OG1-CG 3.21Å; T25-E28 PolarHBondContact OG1-N 2.9Å; T25-E28 PolarHBondContact OG1-OE2 3.1Å; T25-Q29 WeakPolarHBondContact O-CG 3.06Å; T25-Q29 PolarHBondContact O-N 2.82Å
26	A	86	Confident	80.7	Confident	65 Å²	65	88.1 Å²	88.1	54%	0.537	45%	0.451	S	S	.	.	H	α-helix	trans	-57.5	-34	178.9	0	0	0	0	0	113.1	R30	A26-R30 WeakPolarHBondContact O-CB 3.4Å; A26-R30 VanDerWaalsContact O-CG 3.3Å; A26-R30 WeakPolarHBondContact O-CG 3.3Å; A26-R30 PolarHBondContact O-N 3.2Å; A26-R30 PolarHBondContact O-NE 2.92Å
27	T	82.9	Confident	82	Confident	91 Å²	91	93.1 Å²	93.1	56%	0.558	47%	0.465	S	S	*	.	H	α-helix	trans	-70.7	-43.8	177.1	-61	0	0	0	0	111.6	T25 R30 W31	T25-T27 PolarHBondContact O-N 3.47Å; T27-R30 PolarHBondContact O-N 3.35Å; T27-R30 PolarHBondContact OG1-NH2 3.18Å; T27-R30 VanDerWaalsContact OG1-NH2 3.08Å; T27-W31 PolarHBondContact O-N 2.95Å
28	E	85.1	Confident	83.2	Confident	85 Å²	85	91.9 Å²	91.9	40%	0.397	46%	0.457	S	S	.	.	H	α-helix	trans	-64.4	-40.3	174.7	-70.4	170.3	114.6	0	0	112	K24 T25 W31 V32	K24-E28 HydrophobicContact CB-CB 3.86Å; K24-E28 HydrophobicContact CD-CB 4.27Å; K24-E28 HydrophobicContact CG-CB 4.28Å; T25-E28 WeakPolarHBondContact CB-OE2 3.34Å; T25-E28 WeakPolarHBondContact CG2-OE2 3.42Å; T25-E28 PolarHBondContact N-OE2 3.39Å; T25-E28 PolarHBondContact O-N 2.64Å; T25-E28 VanDerWaalsContact O-N 3.13Å; T25-E28 VanDerWaalsContact OG1-CG 3.23Å; T25-E28 WeakPolarHBondContact OG1-CG 3.21Å; T25-E28 PolarHBondContact OG1-N 2.9Å; T25-E28 PolarHBondContact OG1-OE2 3.1Å; E28-W31 WeakPolarHBondContact O-CB 3.48Å; E28-W31 PolarHBondContact O-N 3.31Å; E28-V32 WeakPolarHBondContact O-CG2 3.42Å; E28-V32 PolarHBondContact O-N 3.27Å
29	Q	85.9	Confident	84.7	Confident	72 Å²	72	92 Å²	92	34%	0.336	46%	0.459	S	S	.	.	H	α-helix	trans	-60.7	-46.3	175.5	-72.5	-178.9	-7.5	0	0	111.4	L21 K24 T25 W31 V32 L33	L21-Q29 HydrophobicContact CB-CG 4.23Å; L21-Q29 HydrophobicContact CD2-CB 3.86Å; L21-Q29 HydrophobicContact CD2-CG 3.89Å; L21-Q29 PolarHBondContact O-NE2 3.01Å; L21-Q29 VanDerWaalsContact O-NE2 3.13Å; K24-Q29 HydrophobicContact CB-CG 3.81Å; K24-Q29 PolarHBondContact O-NE2 3.4Å; T25-Q29 WeakPolarHBondContact O-CG 3.06Å; T25-Q29 PolarHBondContact O-N 2.82Å; Q29-W31 VanDerWaalsContact C-N 3.31Å; Q29-W31 PolarHBondContact O-N 3.07Å; Q29-V32 PolarHBondContact O-N 3.43Å; Q29-L33 WeakPolarHBondContact O-CB 3.22Å; Q29-L33 WeakPolarHBondContact O-CG 3.49Å; Q29-L33 PolarHBondContact O-N 2.8Å
30	R	86.5	Confident	85.9	Confident	162 Å²	162	86.4 Å²	86.4	61%	0.611	43%	0.434	S	S	*	.	H	α-helix	trans	-59.6	-41.8	174.3	-76.2	-176.8	-65.6	168.3	0.6	111.8	A26 T27 R34	A26-R30 WeakPolarHBondContact O-CB 3.4Å; A26-R30 VanDerWaalsContact O-CG 3.3Å; A26-R30 WeakPolarHBondContact O-CG 3.3Å; A26-R30 PolarHBondContact O-N 3.2Å; A26-R30 PolarHBondContact O-NE 2.92Å; T27-R30 PolarHBondContact O-N 3.35Å; T27-R30 PolarHBondContact OG1-NH2 3.18Å; T27-R30 VanDerWaalsContact OG1-NH2 3.08Å; R30-R34 VanDerWaalsContact O-CB 3.29Å; R30-R34 WeakPolarHBondContact O-CB 3.25Å; R30-R34 PolarHBondContact O-N 2.69Å
31	W	84.9	Confident	87	Confident	151 Å²	151	81.8 Å²	81.8	57%	0.572	42%	0.416	S	S	*	.	H	α-helix	trans	-62.1	-48.8	176	-179.2	96.9	0	0	0	111.5	T27 E28 Q29 L33 R34 Q35	T27-W31 PolarHBondContact O-N 2.95Å; E28-W31 WeakPolarHBondContact O-CB 3.48Å; E28-W31 PolarHBondContact O-N 3.31Å; Q29-W31 VanDerWaalsContact C-N 3.31Å; Q29-W31 PolarHBondContact O-N 3.07Å; W31-L33 PolarHBondContact O-N 3.03Å; W31-R34 WeakPolarHBondContact O-CB 3.38Å; W31-R34 PolarHBondContact O-N 2.99Å; W31-R34 VanDerWaalsContact O-N 3.17Å; W31-Q35 HydrophobicContact CD2-CG 3.9Å; W31-Q35 HydrophobicContact CE3-CG 4Å; W31-Q35 HydrophobicContact CH2-CG 3.85Å; W31-Q35 HydrophobicContact CZ2-CG 3.74Å; W31-Q35 HydrophobicContact CZ3-CG 3.97Å; W31-Q35 WeakPolarHBondContact O-CG 3.46Å; W31-Q35 PolarHBondContact O-N 3.06Å
32	V	85.7	Confident	87.8	Confident	14 Å²	14	86.9 Å²	86.9	9%	0.085	44%	0.437	C	S	.	.	H	α-helix	trans	-59.8	-48.3	179	170.8	0	0	0	0	110.9	K20 L21 K24 E28 Q29 R34 Q35 L36	K20-V32 HydrophobicContact CB-CG1 4.35Å; L21-V32 HydrophobicContact CD2-CB 4Å; L21-V32 HydrophobicContact CD2-CG1 3.96Å; K24-V32 HydrophobicContact CD-CG2 3.89Å; E28-V32 WeakPolarHBondContact O-CG2 3.42Å; E28-V32 PolarHBondContact O-N 3.27Å; Q29-V32 PolarHBondContact O-N 3.43Å; V32-R34 VanDerWaalsContact C-N 3.26Å; V32-R34 PolarHBondContact O-N 3.15Å; V32-Q35 PolarHBondContact O-N 2.86Å; V32-L36 HydrophobicContact CG1-CD1 3.99Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CG 3.3Å; V32-L36 PolarHBondContact O-N 2.9Å
33	L	87.9	Confident	88.5	Confident	67 Å²	67	79.1 Å²	79.1	35%	0.351	41%	0.407	S	S	.	.	H	α-helix	trans	-60.2	-38.3	178	-73.3	173.2	0	0	0	111.9	V17 L21 Q29 W31 K37	V17-L33 HydrophobicContact CG1-CD2 3.99Å; L21-L33 HydrophobicContact CD1-CD2 4.09Å; L21-L33 HydrophobicContact CD1-CG 4.35Å; L21-L33 HydrophobicContact CD2-CG 4.16Å; Q29-L33 WeakPolarHBondContact O-CB 3.22Å; Q29-L33 WeakPolarHBondContact O-CG 3.49Å; Q29-L33 PolarHBondContact O-N 2.8Å; W31-L33 PolarHBondContact O-N 3.03Å; L33-K37 WeakPolarHBondContact O-CG 3.27Å; L33-K37 PolarHBondContact O-N 2.92Å
34	R	85.8	Confident	89.1	Confident	118 Å²	118	75.1 Å²	75.1	45%	0.445	37%	0.366	S	S	.	.	H	α-helix	trans	-63.1	-47.7	175	-174.3	-177.6	-67.9	-148.2	-9.5	111.1	R30 W31 V32 L36 K37 D38 D223	R30-R34 VanDerWaalsContact O-CB 3.29Å; R30-R34 WeakPolarHBondContact O-CB 3.25Å; R30-R34 PolarHBondContact O-N 2.69Å; W31-R34 WeakPolarHBondContact O-CB 3.38Å; W31-R34 PolarHBondContact O-N 2.99Å; W31-R34 VanDerWaalsContact O-N 3.17Å; V32-R34 VanDerWaalsContact C-N 3.26Å; V32-R34 PolarHBondContact O-N 3.15Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-L36 PolarHBondContact O-N 2.72Å; R34-K37 PolarHBondContact O-N 3.19Å; R34-D38 WeakPolarHBondContact O-CB 3.34Å; R34-D38 PolarHBondContact O-N 3.43Å; R34-D223 IonicContact CZ-OD2 2.78Å; R34-D223 IonicContact NH1-OD1 3.08Å; R34-D223 IonicContact NH1-OD2 2.9Å; R34-D223 PolarHBondContact NH1-OD2 3.21Å; R34-D223 IonicContact NH2-OD2 3.97Å; R34-D223 PolarHBondContact NH2-OD2 3.48Å
35	Q	86.4	Confident	89.5	Confident	37 Å²	37	77.8 Å²	77.8	17%	0.173	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-40.9	178.3	-62.7	-60.7	-21.6	0	0	112.2	W31 V32 K37 D38 V41	W31-Q35 HydrophobicContact CD2-CG 3.9Å; W31-Q35 HydrophobicContact CE3-CG 4Å; W31-Q35 HydrophobicContact CH2-CG 3.85Å; W31-Q35 HydrophobicContact CZ2-CG 3.74Å; W31-Q35 HydrophobicContact CZ3-CG 3.97Å; W31-Q35 WeakPolarHBondContact O-CG 3.46Å; W31-Q35 PolarHBondContact O-N 3.06Å; V32-Q35 PolarHBondContact O-N 2.86Å; Q35-K37 VanDerWaalsContact C-N 3.26Å; Q35-K37 PolarHBondContact O-N 3.13Å; Q35-D38 WeakPolarHBondContact O-CB 3.36Å; Q35-D38 PolarHBondContact O-N 2.87Å; Q35-V41 VanDerWaalsContact OE1-CG2 3.22Å
36	L	85.6	Confident	89.8	Confident	59 Å²	59	77.8 Å²	77.8	31%	0.309	39%	0.388	S	S	.	.	H	α-helix	trans	-64.5	-30	179.4	-71.4	171.7	0	0	0	113.4	V17 V32 R34 K42	V17-L36 HydrophobicContact CG1-CD1 4.38Å; V17-L36 HydrophobicContact CG2-CD1 4.21Å; V32-L36 HydrophobicContact CG1-CD1 3.99Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CG 3.3Å; V32-L36 PolarHBondContact O-N 2.9Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-L36 PolarHBondContact O-N 2.72Å; L36-K42 WeakPolarHBondContact O-CE 3.5Å
37	K	89.3	Confident	90.3	Very high	167 Å²	167	79.8 Å²	79.8	73%	0.726	39%	0.386	S	S	*	.	H	α-helix	trans	-87.6	-10.9	178.6	-69.4	-179.9	-179.8	-175.8	0	113.1	L33 R34 Q35 P39	L33-K37 WeakPolarHBondContact O-CG 3.27Å; L33-K37 PolarHBondContact O-N 2.92Å; R34-K37 PolarHBondContact O-N 3.19Å; Q35-K37 VanDerWaalsContact C-N 3.26Å; Q35-K37 PolarHBondContact O-N 3.13Å; K37-P39 WeakPolarHBondContact O-CD 3.43Å
38	D	90.8	Very high	91	Very high	10 Å²	10	81.9 Å²	81.9	5%	0.053	39%	0.393	C	S	.	.			trans	-75	114.6	-172.2	-156.7	-38.3	0	0	0	111.3	R34 Q35 Y40 V41 K42 R52 R221	R34-D38 WeakPolarHBondContact O-CB 3.34Å; R34-D38 PolarHBondContact O-N 3.43Å; Q35-D38 WeakPolarHBondContact O-CB 3.36Å; Q35-D38 PolarHBondContact O-N 2.87Å; D38-Y40 VanDerWaalsContact C-N 3.25Å; D38-Y40 PolarHBondContact O-N 3.5Å; D38-Y40 PolarHBondContact OD1-N 3.32Å; D38-V41 HydrophobicContact CB-CB 3.96Å; D38-V41 HydrophobicContact CB-CG2 3.55Å; D38-V41 PolarHBondContact O-N 2.87Å; D38-K42 PolarHBondContact O-N 3.23Å; D38-R52 IonicContact OD1-CZ 3.92Å; D38-R52 IonicContact OD1-NE 3.87Å; D38-R52 IonicContact OD1-NH1 2.83Å; D38-R52 PolarHBondContact OD1-NH1 2.87Å; D38-R52 IonicContact OD1-NH2 3.99Å; D38-R52 IonicContact OD2-CZ 2.72Å; D38-R52 IonicContact OD2-NE 2.9Å; D38-R52 IonicContact OD2-NH1 2.82Å; D38-R52 PolarHBondContact OD2-NH1 3.43Å; D38-R221 IonicContact OD2-CZ 3.75Å; D38-R221 IonicContact OD2-NE 3.64Å; D38-R221 PolarHBondContact OD2-NE 3.33Å; D38-R221 IonicContact OD2-NH2 3.21Å; D38-R221 PolarHBondContact OD2-NH2 3.05Å
39	P	94.5	Very high	91.6	Very high	84 Å²	84	78.5 Å²	78.5	55%	0.545	38%	0.377	S	S	.	.	H	α-helix	trans	-62.9	-34.7	-176.7	24.8	-32.9	0	0	0	111.9	K37 V41 K42 A43	K37-P39 WeakPolarHBondContact O-CD 3.43Å; P39-V41 VanDerWaalsContact C-N 3.35Å; P39-V41 PolarHBondContact O-N 3.4Å; P39-K42 PolarHBondContact O-N 2.99Å; P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 2.81Å
40	Y	96.4	Very high	92.2	Very high	54 Å²	54	78.7 Å²	78.7	21%	0.212	38%	0.375	C	S	.	.	H	α-helix	trans	-74.9	-23.9	-178.6	-60.8	-76.9	0	0	0	113.2	D38 S44 F55 E59 D218 A219	D38-Y40 VanDerWaalsContact C-N 3.25Å; D38-Y40 PolarHBondContact O-N 3.5Å; D38-Y40 PolarHBondContact OD1-N 3.32Å; Y40-S44 WeakPolarHBondContact O-CB 3.47Å; Y40-S44 PolarHBondContact O-N 2.76Å; Y40-S44 PolarHBondContact O-OG 3.04Å; Y40-F55 HydrophobicContact CD1-CB 3.65Å; Y40-F55 HydrophobicContact CD1-CD1 4.21Å; Y40-F55 AromaticContact CD1-CD2 3.96Å; Y40-F55 HydrophobicContact CD1-CD2 3.96Å; Y40-F55 AromaticContact CD1-CG 3.66Å; Y40-F55 HydrophobicContact CD1-CG 3.66Å; Y40-F55 HydrophobicContact CE1-CB 4.12Å; Y40-F55 HydrophobicContact CE1-CG 4.4Å; Y40-F55 HydrophobicContact CG-CD2 4.49Å; Y40-F55 WeakPolarHBondContact O-CE2 3.37Å; Y40-E59 WeakPolarHBondContact CE1-OE1 3.22Å; Y40-E59 PolarHBondContact OH-OE1 2.73Å; Y40-D218 WeakPolarHBondContact CE2-O 3.39Å; Y40-D218 PolarHBondContact OH-O 3.29Å; Y40-A219 HydrophobicContact CD1-CB 3.98Å; Y40-A219 HydrophobicContact CD2-CB 4.44Å; Y40-A219 HydrophobicContact CE1-CB 3.79Å; Y40-A219 HydrophobicContact CE2-CB 4.26Å; Y40-A219 HydrophobicContact CG-CB 4.29Å; Y40-A219 PolarHBondContact OH-N 2.73Å
41	V	94.9	Very high	92.7	Very high	23 Å²	23	72.6 Å²	72.6	14%	0.139	36%	0.357	C	S	.	.	H	α-helix	trans	-70.6	-44.1	170.2	175.8	0	0	0	0	109.9	Q35 D38 P39 A43 S44 H45 R52	Q35-V41 VanDerWaalsContact OE1-CG2 3.22Å; D38-V41 HydrophobicContact CB-CB 3.96Å; D38-V41 HydrophobicContact CB-CG2 3.55Å; D38-V41 PolarHBondContact O-N 2.87Å; P39-V41 VanDerWaalsContact C-N 3.35Å; P39-V41 PolarHBondContact O-N 3.4Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 2.82Å; V41-S44 PolarHBondContact O-N 2.81Å; V41-S44 PolarHBondContact O-OG 3.23Å; V41-H45 PolarHBondContact O-CD2 3.24Å; V41-H45 PolarHBondContact O-N 2.86Å; V41-R52 HydrophobicContact CG2-CB 4.1Å; V41-R52 HydrophobicContact CG2-CG 4.21Å
42	K	94.4	Very high	93.2	Very high	133 Å²	133	67 Å²	67	58%	0.578	34%	0.336	S	S	*	.	H	α-helix	trans	-62.3	-44.1	174.8	-63.9	178.9	-176.6	175.7	0	111	L36 D38 P39 S44 H45 A46	L36-K42 WeakPolarHBondContact O-CE 3.5Å; D38-K42 PolarHBondContact O-N 3.23Å; P39-K42 PolarHBondContact O-N 2.99Å; K42-S44 VanDerWaalsContact C-N 3.35Å; K42-S44 PolarHBondContact O-N 3.42Å; K42-H45 PolarHBondContact O-N 3.41Å; K42-A46 PolarHBondContact O-N 3.07Å
43	A	95.7	Very high	93.8	Very high	23 Å²	23	67.2 Å²	67.2	19%	0.19	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-37.8	177.8	0	0	0	0	0	112	P39 V41 H45 A46 Q47 F55	P39-A43 WeakPolarHBondContact O-CB 3.47Å; P39-A43 PolarHBondContact O-N 2.81Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 2.82Å; A43-H45 VanDerWaalsContact C-N 3.32Å; A43-H45 PolarHBondContact O-N 3.47Å; A43-A46 PolarHBondContact O-N 3.4Å; A43-Q47 WeakPolarHBondContact O-CB 3.42Å; A43-Q47 WeakPolarHBondContact O-CG 3.43Å; A43-Q47 PolarHBondContact O-N 3.42Å; A43-F55 HydrophobicContact CB-CE1 4.02Å; A43-F55 HydrophobicContact CB-CE2 3.76Å; A43-F55 HydrophobicContact CB-CZ 3.37Å
44	S	96.4	Very high	94.3	Very high	3 Å²	3	64 Å²	64	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-40.1	178.2	62.1	0	0	0	0	111.4	Y40 V41 K42 N48 F49	Y40-S44 WeakPolarHBondContact O-CB 3.47Å; Y40-S44 PolarHBondContact O-N 2.76Å; Y40-S44 PolarHBondContact O-OG 3.04Å; V41-S44 PolarHBondContact O-N 2.81Å; V41-S44 PolarHBondContact O-OG 3.23Å; K42-S44 VanDerWaalsContact C-N 3.35Å; K42-S44 PolarHBondContact O-N 3.42Å; S44-N48 CarbonylContact O-C 3.44Å; S44-N48 WeakPolarHBondContact O-CA 3.25Å; S44-N48 PolarHBondContact O-N 3.34Å; S44-F49 PolarHBondContact O-N 3.48Å
45	H	94.8	Very high	94.9	Very high	134 Å²	134	59.3 Å²	59.3	62%	0.62	30%	0.304	S	S	*	.	H	α-helix	trans	-65.9	-44.2	173.4	-68.7	-61.9	0	0	0	112.2	V41 K42 A43 Q47 N48	V41-H45 PolarHBondContact O-CD2 3.24Å; V41-H45 PolarHBondContact O-N 2.86Å; K42-H45 PolarHBondContact O-N 3.41Å; A43-H45 VanDerWaalsContact C-N 3.32Å; A43-H45 PolarHBondContact O-N 3.47Å; H45-Q47 VanDerWaalsContact C-N 3.3Å; H45-Q47 PolarHBondContact O-N 2.86Å; H45-N48 PolarHBondContact O-N 3.46Å
46	A	96.3	Very high	95.5	Very high	82 Å²	82	58.4 Å²	58.4	68%	0.678	30%	0.299	S	S	*	.	H	α-helix	trans	-65	-33.1	-180	0	0	0	0	0	113.2	K42 A43	K42-A46 PolarHBondContact O-N 3.07Å; A43-A46 PolarHBondContact O-N 3.4Å
47	Q	96.5	Very high	96.1	Very high	107 Å²	107	55.6 Å²	55.6	50%	0.5	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	9.9	-178.3	-60.4	-178.5	27.4	0	0	113.2	A43 H45 F49	A43-Q47 WeakPolarHBondContact O-CB 3.42Å; A43-Q47 WeakPolarHBondContact O-CG 3.43Å; A43-Q47 PolarHBondContact O-N 3.42Å; H45-Q47 VanDerWaalsContact C-N 3.3Å; H45-Q47 PolarHBondContact O-N 2.86Å; Q47-F49 HydrophobicContact CB-CD2 3.79Å; Q47-F49 HydrophobicContact CB-CE2 3.93Å; Q47-F49 PolarHBondContact O-N 3.23Å
48	N	96.5	Very high	96.5	Very high	134 Å²	134	48.6 Å²	48.6	72%	0.717	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	31	179.9	-60.6	-53.3	0	0	0	115.2	S44 H45 Q85	S44-N48 CarbonylContact O-C 3.44Å; S44-N48 WeakPolarHBondContact O-CA 3.25Å; S44-N48 PolarHBondContact O-N 3.34Å; H45-N48 PolarHBondContact O-N 3.46Å; N48-Q85 PolarHBondContact O-NE2 2.95Å; N48-Q85 VanDerWaalsContact O-NE2 3.07Å
49	F	98.2	Very high	96.9	Very high	14 Å²	14	50.7 Å²	50.7	6%	0.061	26%	0.264	C	S	.	.			trans	-80.4	139.8	165.8	-71.4	-65.9	0	0	0	110.4	S44 Q47 C51 A54 F55 L58 Q85 V86	S44-F49 PolarHBondContact O-N 3.48Å; Q47-F49 HydrophobicContact CB-CD2 3.79Å; Q47-F49 HydrophobicContact CB-CE2 3.93Å; Q47-F49 PolarHBondContact O-N 3.23Å; F49-C51 PolarHBondContact O-N 2.88Å; F49-A54 HydrophobicContact CB-CB 3.86Å; F49-A54 HydrophobicContact CD1-CB 3.56Å; F49-A54 HydrophobicContact CD2-CB 4.15Å; F49-A54 HydrophobicContact CE1-CB 4.13Å; F49-A54 HydrophobicContact CG-CB 3.59Å; F49-F55 HydrophobicContact CD2-CE2 4.35Å; F49-F55 HydrophobicContact CD2-CZ 4.03Å; F49-F55 HydrophobicContact CE2-CZ 4.48Å; F49-L58 HydrophobicContact CE2-CD1 3.77Å; F49-L58 HydrophobicContact CZ-CD1 3.79Å; F49-Q85 HydrophobicContact CD1-CB 4.08Å; F49-Q85 HydrophobicContact CE1-CB 4.23Å; F49-V86 HydrophobicContact CD1-CG2 4.45Å; F49-V86 HydrophobicContact CE1-CG2 3.83Å; F49-V86 HydrophobicContact CZ-CG2 4.34Å
50	R	97.9	Very high	97.1	Very high	76 Å²	76	46.8 Å²	46.8	29%	0.287	24%	0.239	S	C	.	.	S	Bend	trans	-58.9	-34.3	-178.9	-73	177.1	-175.8	-168.4	-4.7	112.5	P80 A82 Q85 P114 P115	R50-P80 HydrophobicContact CB-CG 4.11Å; R50-P80 WeakPolarHBondContact CD-O 3.33Å; R50-P80 PolarHBondContact NH1-O 2.86Å; R50-A82 HydrophobicContact CB-CB 4.33Å; R50-Q85 VanDerWaalsContact CG-OE1 3.27Å; R50-P114 VanDerWaalsContact CZ-O 3.29Å; R50-P114 PolarHBondContact NH1-O 3.3Å; R50-P114 PolarHBondContact NH2-O 3.23Å; R50-P115 PolarHBondContact NH2-O 2.79Å
51	C	96.9	Very high	97.2	Very high	34 Å²	34	44.2 Å²	44.2	23%	0.23	23%	0.229	C	C	.	.	S	Bend	trans	-156.4	171.3	172	71.1	0	0	0	0	112.3	F49 S53 A54 P80 A82	F49-C51 PolarHBondContact O-N 2.88Å; C51-S53 PolarHBondContact O-N 2.96Å; C51-S53 VanDerWaalsContact O-N 3.16Å; C51-S53 PolarHBondContact SG-OG 3.32Å; C51-A54 PolarHBondContact O-N 3Å; C51-P80 HydrophobicContact CB-CG 4.29Å; C51-A82 WeakPolarHBondContact SG-CB 3.3Å
52	R	97	Very high	97.4	Very high	34 Å²	34	47 Å²	47	13%	0.128	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	-176.9	69.5	157.9	-66	178.7	5.9	115.2	D38 V41 A54 F55 A219 R221	D38-R52 IonicContact OD1-CZ 3.92Å; D38-R52 IonicContact OD1-NE 3.87Å; D38-R52 IonicContact OD1-NH1 2.83Å; D38-R52 PolarHBondContact OD1-NH1 2.87Å; D38-R52 IonicContact OD1-NH2 3.99Å; D38-R52 IonicContact OD2-CZ 2.72Å; D38-R52 IonicContact OD2-NE 2.9Å; D38-R52 IonicContact OD2-NH1 2.82Å; D38-R52 PolarHBondContact OD2-NH1 3.43Å; V41-R52 HydrophobicContact CG2-CB 4.1Å; V41-R52 HydrophobicContact CG2-CG 4.21Å; R52-A54 PolarHBondContact O-N 2.82Å; R52-F55 WeakPolarHBondContact O-CD2 3.11Å; R52-F55 PolarHBondContact O-N 2.64Å; R52-A219 PolarHBondContact NH2-O 3.4Å; R52-R221 VanDerWaalsContact NH1-NE 3.17Å
53	S	97.3	Very high	97.6	Very high	18 Å²	18	48.2 Å²	48.2	13%	0.126	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.2	-177.6	63.8	0	0	0	0	112.5	C51 F55 K56 W83 D151	C51-S53 PolarHBondContact O-N 2.96Å; C51-S53 VanDerWaalsContact O-N 3.16Å; C51-S53 PolarHBondContact SG-OG 3.32Å; S53-F55 PolarHBondContact O-N 2.85Å; S53-K56 VanDerWaalsContact O-CB 3.31Å; S53-K56 WeakPolarHBondContact O-CB 3.12Å; S53-K56 PolarHBondContact O-N 3.46Å; S53-W83 PolarHBondContact O-NE1 3.29Å; S53-D151 WeakPolarHBondContact CB-OD2 3.48Å
54	A	98.6	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-50.5	-41.1	172.1	0	0	0	0	0	112.3	F49 C51 R52 K56 L57 L58 A82 V86	F49-A54 HydrophobicContact CB-CB 3.86Å; F49-A54 HydrophobicContact CD1-CB 3.56Å; F49-A54 HydrophobicContact CD2-CB 4.15Å; F49-A54 HydrophobicContact CE1-CB 4.13Å; F49-A54 HydrophobicContact CG-CB 3.59Å; C51-A54 PolarHBondContact O-N 3Å; R52-A54 PolarHBondContact O-N 2.82Å; A54-K56 PolarHBondContact O-N 3.34Å; A54-L57 PolarHBondContact O-N 2.88Å; A54-L57 VanDerWaalsContact O-N 3.13Å; A54-L58 WeakPolarHBondContact O-CG 3.5Å; A54-L58 PolarHBondContact O-N 2.86Å; A54-A82 HydrophobicContact CB-CB 4.18Å; A54-V86 HydrophobicContact CB-CG2 3.86Å
55	F	98.5	Very high	97.8	Very high	19 Å²	19	56 Å²	56	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-63.2	-28	179.9	-65.5	-78.1	0	0	0	113.5	Y40 A43 F49 R52 S53 L58 E59 A219	Y40-F55 HydrophobicContact CD1-CB 3.65Å; Y40-F55 HydrophobicContact CD1-CD1 4.21Å; Y40-F55 AromaticContact CD1-CD2 3.96Å; Y40-F55 HydrophobicContact CD1-CD2 3.96Å; Y40-F55 AromaticContact CD1-CG 3.66Å; Y40-F55 HydrophobicContact CD1-CG 3.66Å; Y40-F55 HydrophobicContact CE1-CB 4.12Å; Y40-F55 HydrophobicContact CE1-CG 4.4Å; Y40-F55 HydrophobicContact CG-CD2 4.49Å; Y40-F55 WeakPolarHBondContact O-CE2 3.37Å; A43-F55 HydrophobicContact CB-CE1 4.02Å; A43-F55 HydrophobicContact CB-CE2 3.76Å; A43-F55 HydrophobicContact CB-CZ 3.37Å; F49-F55 HydrophobicContact CD2-CE2 4.35Å; F49-F55 HydrophobicContact CD2-CZ 4.03Å; F49-F55 HydrophobicContact CE2-CZ 4.48Å; R52-F55 WeakPolarHBondContact O-CD2 3.11Å; R52-F55 PolarHBondContact O-N 2.64Å; S53-F55 PolarHBondContact O-N 2.85Å; F55-L58 HydrophobicContact CD1-CD1 4.05Å; F55-L58 HydrophobicContact CE1-CD1 4.34Å; F55-E59 WeakPolarHBondContact O-CB 3.29Å; F55-E59 VanDerWaalsContact O-CG 3.23Å; F55-E59 WeakPolarHBondContact O-CG 3.38Å; F55-E59 PolarHBondContact O-N 2.93Å; F55-A219 HydrophobicContact CB-CB 3.61Å
56	K	98.4	Very high	97.9	Very high	19 Å²	19	49.8 Å²	49.8	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-47.2	174.5	-55.1	-179.6	-164.6	170.5	0	110.6	S53 A54 I60 W83 D151 P217 A219 E226 Y228	S53-K56 VanDerWaalsContact O-CB 3.31Å; S53-K56 WeakPolarHBondContact O-CB 3.12Å; S53-K56 PolarHBondContact O-N 3.46Å; A54-K56 PolarHBondContact O-N 3.34Å; K56-I60 WeakPolarHBondContact O-CB 3.48Å; K56-I60 WeakPolarHBondContact O-CD1 3.39Å; K56-I60 WeakPolarHBondContact O-CG1 3.22Å; K56-I60 PolarHBondContact O-N 2.85Å; K56-W83 HydrophobicContact CB-CZ2 4.32Å; K56-D151 IonicContact NZ-OD1 3.41Å; K56-D151 IonicContact NZ-OD2 3.7Å; K56-P217 HydrophobicContact CB-CB 4.4Å; K56-P217 HydrophobicContact CB-CG 3.89Å; K56-P217 HydrophobicContact CG-CG 4.12Å; K56-A219 HydrophobicContact CB-CB 4.42Å; K56-A219 HydrophobicContact CG-CB 3.77Å; K56-E226 WeakPolarHBondContact CE-OE1 3.31Å; K56-E226 IonicContact NZ-OE1 2.73Å; K56-E226 PolarHBondContact NZ-OE1 2.61Å; K56-E226 IonicContact NZ-OE2 2.73Å; K56-E226 PolarHBondContact NZ-OE2 2.7Å; K56-Y228 HydrophobicContact CD-CE2 4.09Å; K56-Y228 WeakPolarHBondContact CD-OH 3.38Å; K56-Y228 PolarHBondContact NZ-OH 3.19Å
57	L	98.8	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.7	-39.2	179	-176.6	57.8	0	0	0	111.4	A54 I60 D61 L67 W83 V86 L149 L189	A54-L57 PolarHBondContact O-N 2.88Å; A54-L57 VanDerWaalsContact O-N 3.13Å; L57-I60 PolarHBondContact O-N 2.74Å; L57-D61 VanDerWaalsContact O-CB 3.24Å; L57-D61 WeakPolarHBondContact O-CB 3.25Å; L57-D61 PolarHBondContact O-N 3.41Å; L57-L67 HydrophobicContact CD2-CD1 4.41Å; L57-W83 HydrophobicContact CB-CD2 3.9Å; L57-W83 HydrophobicContact CB-CG 4.03Å; L57-W83 HydrophobicContact CB-CZ2 4.16Å; L57-W83 HydrophobicContact CD1-CE3 4.43Å; L57-W83 HydrophobicContact CD1-CZ3 4.44Å; L57-W83 HydrophobicContact CD2-CB 3.74Å; L57-W83 HydrophobicContact CD2-CD2 3.84Å; L57-W83 HydrophobicContact CD2-CE3 4.06Å; L57-W83 HydrophobicContact CD2-CG 3.74Å; L57-W83 HydrophobicContact CG-CD2 4.34Å; L57-V86 HydrophobicContact CB-CG1 4.43Å; L57-V86 HydrophobicContact CD2-CB 3.99Å; L57-V86 HydrophobicContact CD2-CG1 4.03Å; L57-V86 HydrophobicContact CG-CB 4.37Å; L57-V86 HydrophobicContact CG-CG1 3.97Å; L57-L149 HydrophobicContact CD1-CD1 4.36Å; L57-L149 HydrophobicContact CD1-CD2 4.09Å; L57-L149 HydrophobicContact CD2-CD1 3.72Å; L57-L189 HydrophobicContact CD1-CD2 3.81Å
58	L	98.7	Very high	98	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.105	21%	0.21	C	C	.	.	H	α-helix	trans	-56.5	-51.9	173.8	-72.7	167.5	0	0	0	111.4	F49 A54 F55 I60 D61 D62 V86 R90	F49-L58 HydrophobicContact CE2-CD1 3.77Å; F49-L58 HydrophobicContact CZ-CD1 3.79Å; A54-L58 WeakPolarHBondContact O-CG 3.5Å; A54-L58 PolarHBondContact O-N 2.86Å; F55-L58 HydrophobicContact CD1-CD1 4.05Å; F55-L58 HydrophobicContact CE1-CD1 4.34Å; L58-I60 PolarHBondContact O-N 3.07Å; L58-D61 PolarHBondContact O-N 2.81Å; L58-D62 VanDerWaalsContact O-CB 3.29Å; L58-D62 WeakPolarHBondContact O-CB 3.45Å; L58-D62 PolarHBondContact O-N 2.96Å; L58-V86 HydrophobicContact CD1-CG2 4.35Å; L58-V86 HydrophobicContact CD2-CB 4.46Å; L58-V86 HydrophobicContact CD2-CG1 3.65Å; L58-V86 HydrophobicContact CD2-CG2 4.04Å; L58-V86 HydrophobicContact CG-CG1 4.02Å; L58-V86 HydrophobicContact CG-CG2 3.79Å; L58-R90 VanDerWaalsContact CD2-NH2 3.31Å
59	E	98.6	Very high	98.1	Very high	53 Å²	53	41.6 Å²	41.6	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-41.7	179.7	-73.7	169.1	-162.7	0	0	112.5	Y40 F55 K63 P217 D218 A219	Y40-E59 WeakPolarHBondContact CE1-OE1 3.22Å; Y40-E59 PolarHBondContact OH-OE1 2.73Å; F55-E59 WeakPolarHBondContact O-CB 3.29Å; F55-E59 VanDerWaalsContact O-CG 3.23Å; F55-E59 WeakPolarHBondContact O-CG 3.38Å; F55-E59 PolarHBondContact O-N 2.93Å; E59-K63 WeakPolarHBondContact O-CB 3.45Å; E59-K63 PolarHBondContact O-N 2.8Å; E59-P217 HydrophobicContact CB-CB 4.33Å; E59-P217 WeakPolarHBondContact OE2-CB 3.24Å; E59-D218 PolarHBondContact OE2-N 2.74Å; E59-A219 VanDerWaalsContact OE1-CB 3.3Å; E59-A219 WeakPolarHBondContact OE1-CB 3.47Å; E59-A219 PolarHBondContact OE1-N 3.39Å; E59-A219 PolarHBondContact OE2-N 3.03Å
60	I	98.7	Very high	98.2	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-48.4	177	-68.5	166.9	0	0	0	110	K56 L57 L58 K63 F64 L189 I215 P217 Y228	K56-I60 WeakPolarHBondContact O-CB 3.48Å; K56-I60 WeakPolarHBondContact O-CD1 3.39Å; K56-I60 WeakPolarHBondContact O-CG1 3.22Å; K56-I60 PolarHBondContact O-N 2.85Å; L57-I60 PolarHBondContact O-N 2.74Å; L58-I60 PolarHBondContact O-N 3.07Å; I60-K63 PolarHBondContact O-N 3.31Å; I60-F64 HydrophobicContact CG2-CD2 4.09Å; I60-F64 WeakPolarHBondContact O-CB 3.4Å; I60-F64 VanDerWaalsContact O-CD2 3.23Å; I60-F64 WeakPolarHBondContact O-CD2 3.03Å; I60-F64 PolarHBondContact O-N 3.45Å; I60-L189 HydrophobicContact CD1-CD1 4.34Å; I60-L189 HydrophobicContact CD1-CD2 4.08Å; I60-L189 HydrophobicContact CG2-CD1 4.1Å; I60-L189 HydrophobicContact CG2-CD2 3.84Å; I60-I215 HydrophobicContact CD1-CG2 4.49Å; I60-I215 HydrophobicContact CG1-CG2 4.01Å; I60-I215 HydrophobicContact CG2-CD1 4.14Å; I60-P217 HydrophobicContact CD1-CG 4.19Å; I60-P217 HydrophobicContact CG1-CB 4.34Å; I60-P217 HydrophobicContact CG1-CG 4.49Å; I60-Y228 HydrophobicContact CD1-CD1 4.44Å; I60-Y228 HydrophobicContact CD1-CD2 4.15Å; I60-Y228 HydrophobicContact CD1-CG 4.06Å
61	D	98.7	Very high	98.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-39.1	-178	-174.5	58	0	0	0	112.7	L57 L58 K63 F64 R65 L66 L67 R90	L57-D61 VanDerWaalsContact O-CB 3.24Å; L57-D61 WeakPolarHBondContact O-CB 3.25Å; L57-D61 PolarHBondContact O-N 3.41Å; L58-D61 PolarHBondContact O-N 2.81Å; D61-K63 PolarHBondContact O-N 3.14Å; D61-F64 PolarHBondContact O-N 3.06Å; D61-R65 VanDerWaalsContact O-CA 3.25Å; D61-R65 WeakPolarHBondContact O-CA 3.47Å; D61-R65 PolarHBondContact O-N 3.06Å; D61-L66 WeakPolarHBondContact OD1-CA 3.44Å; D61-L66 PolarHBondContact OD1-N 3.07Å; D61-L67 HydrophobicContact CB-CD1 4.45Å; D61-L67 WeakPolarHBondContact OD1-CB 3.47Å; D61-L67 PolarHBondContact OD1-N 3.34Å; D61-R90 VanDerWaalsContact OD2-CD 3.3Å; D61-R90 WeakPolarHBondContact OD2-CD 3.38Å; D61-R90 IonicContact OD2-CZ 3.5Å; D61-R90 IonicContact OD2-NE 3.62Å; D61-R90 IonicContact OD2-NH1 3.16Å; D61-R90 PolarHBondContact OD2-NH1 3.43Å
62	D	98.4	Very high	98.3	Very high	82 Å²	82	40 Å²	40	44%	0.439	19%	0.191	S	C	.	.	H	α-helix	trans	-59.7	-36	176.2	-76.4	-26.4	0	0	0	111.7	L58 R90	L58-D62 VanDerWaalsContact O-CB 3.29Å; L58-D62 WeakPolarHBondContact O-CB 3.45Å; L58-D62 PolarHBondContact O-N 2.96Å; D62-R90 IonicContact OD1-CZ 3.93Å; D62-R90 IonicContact OD1-NH1 2.53Å; D62-R90 PolarHBondContact OD1-NH1 3.33Å; D62-R90 IonicContact OD1-NH2 3.46Å; D62-R90 PolarHBondContact OD1-NH2 3.33Å; D62-R90 IonicContact OD2-NH2 3.4Å
63	K	98.3	Very high	98.4	Very high	157 Å²	157	38.4 Å²	38.4	68%	0.683	19%	0.185	S	C	*	.	H	α-helix	trans	-81.3	-40	178.8	-174.1	168.6	-179.3	172.8	0	113.5	E59 I60 D61	E59-K63 WeakPolarHBondContact O-CB 3.45Å; E59-K63 PolarHBondContact O-N 2.8Å; I60-K63 PolarHBondContact O-N 3.31Å; D61-K63 PolarHBondContact O-N 3.14Å
64	F	98.2	Very high	98.5	Very high	40 Å²	40	37.5 Å²	37.5	18%	0.175	18%	0.179	C	C	.	.	H	α-helix	trans	-111.1	-8.1	-167.2	-64	-71.8	0	0	0	114.7	I60 D61 L66 I215 L230 R232	I60-F64 HydrophobicContact CG2-CD2 4.09Å; I60-F64 WeakPolarHBondContact O-CB 3.4Å; I60-F64 VanDerWaalsContact O-CD2 3.23Å; I60-F64 WeakPolarHBondContact O-CD2 3.03Å; I60-F64 PolarHBondContact O-N 3.45Å; D61-F64 PolarHBondContact O-N 3.06Å; F64-L66 PolarHBondContact O-N 3.36Å; F64-I215 HydrophobicContact CD2-CD1 3.69Å; F64-I215 HydrophobicContact CE2-CD1 3.31Å; F64-I215 HydrophobicContact CE2-CG1 3.77Å; F64-I215 HydrophobicContact CE2-CG2 4.24Å; F64-I215 HydrophobicContact CZ-CD1 3.89Å; F64-I215 HydrophobicContact CZ-CG1 4.03Å; F64-L230 HydrophobicContact CB-CD2 3.72Å; F64-L230 HydrophobicContact CD1-CD2 3.84Å; F64-L230 HydrophobicContact CD2-CD2 3.96Å; F64-L230 HydrophobicContact CE1-CD2 4.45Å; F64-L230 HydrophobicContact CG-CD2 3.56Å; F64-R232 PolarHBondContact O-NH1 3.45Å
65	R	97.7	Very high	98.5	Very high	150 Å²	150	37.6 Å²	37.6	57%	0.566	18%	0.179	S	C	*	.			trans	48.4	59.2	-179.5	-56.5	-60.9	-165.7	175.9	2.2	110.8	D61	D61-R65 VanDerWaalsContact O-CA 3.25Å; D61-R65 WeakPolarHBondContact O-CA 3.47Å; D61-R65 PolarHBondContact O-N 3.06Å
66	L	97	Very high	98.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	18%	0.175	C	C	.	.			trans	-77.9	-35.4	-177.8	178.5	63.4	0	0	0	110.8	D61 F64 V147 L149 L189 L230	D61-L66 WeakPolarHBondContact OD1-CA 3.44Å; D61-L66 PolarHBondContact OD1-N 3.07Å; F64-L66 PolarHBondContact O-N 3.36Å; L66-V147 HydrophobicContact CD1-CG1 3.9Å; L66-V147 HydrophobicContact CD1-CG2 3.99Å; L66-V147 HydrophobicContact CD2-CG1 3.83Å; L66-V147 HydrophobicContact CG-CG1 3.78Å; L66-V147 HydrophobicContact CG-CG2 4.14Å; L66-V147 WeakPolarHBondContact O-CG2 3.27Å; L66-L149 HydrophobicContact CD2-CD2 3.59Å; L66-L189 HydrophobicContact CD2-CB 3.95Å; L66-L189 HydrophobicContact CD2-CD2 4.05Å; L66-L230 HydrophobicContact CD1-CD1 4.03Å; L66-L230 HydrophobicContact CD2-CD1 4.47Å
67	L	98.6	Very high	98.4	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.047	18%	0.179	C	C	.	.			trans	-106.6	135.1	-174.2	-55.5	174.9	0	0	0	109.6	L57 D61 V73 R90 I91 V147	L57-L67 HydrophobicContact CD2-CD1 4.41Å; D61-L67 HydrophobicContact CB-CD1 4.45Å; D61-L67 WeakPolarHBondContact OD1-CB 3.47Å; D61-L67 PolarHBondContact OD1-N 3.34Å; L67-V73 HydrophobicContact CD2-CG1 4.25Å; L67-V73 HydrophobicContact CD2-CG2 3.78Å; L67-R90 HydrophobicContact CB-CB 3.62Å; L67-R90 HydrophobicContact CB-CG 4.38Å; L67-R90 HydrophobicContact CD1-CB 3.88Å; L67-R90 HydrophobicContact CD1-CG 4.03Å; L67-R90 HydrophobicContact CG-CB 4.42Å; L67-I91 HydrophobicContact CB-CG2 3.99Å; L67-I91 HydrophobicContact CD2-CG2 4.38Å; L67-V147 HydrophobicContact CD2-CB 4.46Å; L67-V147 HydrophobicContact CD2-CG1 4.31Å; L67-V147 HydrophobicContact CD2-CG2 4.38Å
68	Q	98.1	Very high	98.4	Very high	88 Å²	88	36.8 Å²	36.8	41%	0.411	18%	0.181	S	C	.	.			trans	-138.8	151	178.3	-60.4	-175.5	-9.9	0	0	110.1	G70 Y71 I91	Q68-G70 PolarHBondContact O-N 3.31Å; Q68-Y71 HydrophobicContact CB-CD1 3.92Å; Q68-Y71 HydrophobicContact CB-CD2 4.24Å; Q68-Y71 HydrophobicContact CB-CE1 3.73Å; Q68-Y71 HydrophobicContact CB-CE2 4.07Å; Q68-Y71 HydrophobicContact CB-CG 4.18Å; Q68-Y71 VanDerWaalsContact CD-OH 3.3Å; Q68-Y71 HydrophobicContact CG-CE1 4.33Å; Q68-Y71 HydrophobicContact CG-CE2 4.12Å; Q68-Y71 VanDerWaalsContact O-CB 3.3Å; Q68-Y71 WeakPolarHBondContact O-CB 3.41Å; Q68-Y71 PolarHBondContact O-N 2.81Å; Q68-Y71 VanDerWaalsContact O-N 3.15Å; Q68-Y71 VanDerWaalsContact OE1-CZ 3.31Å; Q68-Y71 PolarHBondContact OE1-OH 3.38Å; Q68-I91 WeakPolarHBondContact O-CA 3.42Å; Q68-I91 WeakPolarHBondContact O-CB 3.39Å; Q68-I91 WeakPolarHBondContact O-CG2 3.38Å
69	P	98.6	Very high	98.4	Very high	55 Å²	55	37.2 Å²	37.2	36%	0.357	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	138.1	172.2	-28.7	36.4	0	0	0	112.6	Y71 I91 N92 P101	P69-Y71 VanDerWaalsContact C-N 3.3Å; P69-Y71 PolarHBondContact O-N 3.19Å; P69-I91 WeakPolarHBondContact CA-O 3.49Å; P69-N92 HydrophobicContact CB-CB 4.39Å; P69-P101 HydrophobicContact CB-CG 4.04Å
70	G	98.3	Very high	98.3	Very high	25 Å²	25	37.3 Å²	37.3	26%	0.258	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-6.9	-179.3	0	0	0	0	0	115.4	Q68 I91 P101	Q68-G70 PolarHBondContact O-N 3.31Å; G70-I91 PolarHBondContact N-O 3.13Å; G70-I91 VanDerWaalsContact N-O 3.15Å; G70-P101 PolarHBondContact N-O 3.07Å; G70-P101 VanDerWaalsContact N-O 3.09Å
71	Y	98.7	Very high	98.3	Very high	61 Å²	61	37.2 Å²	37.2	24%	0.239	19%	0.192	C	C	.	.			trans	-71	153.5	179.4	-81.1	20.9	0	0	0	112.2	Q68 P69 I91 G103 T104 H146 V147	Q68-Y71 HydrophobicContact CB-CD1 3.92Å; Q68-Y71 HydrophobicContact CB-CD2 4.24Å; Q68-Y71 HydrophobicContact CB-CE1 3.73Å; Q68-Y71 HydrophobicContact CB-CE2 4.07Å; Q68-Y71 HydrophobicContact CB-CG 4.18Å; Q68-Y71 VanDerWaalsContact CD-OH 3.3Å; Q68-Y71 HydrophobicContact CG-CE1 4.33Å; Q68-Y71 HydrophobicContact CG-CE2 4.12Å; Q68-Y71 VanDerWaalsContact O-CB 3.3Å; Q68-Y71 WeakPolarHBondContact O-CB 3.41Å; Q68-Y71 PolarHBondContact O-N 2.81Å; Q68-Y71 VanDerWaalsContact O-N 3.15Å; Q68-Y71 VanDerWaalsContact OE1-CZ 3.31Å; Q68-Y71 PolarHBondContact OE1-OH 3.38Å; P69-Y71 VanDerWaalsContact C-N 3.3Å; P69-Y71 PolarHBondContact O-N 3.19Å; Y71-I91 WeakPolarHBondContact O-CD1 3.43Å; Y71-G103 CarbonylContact O-C 3.54Å; Y71-G103 WeakPolarHBondContact O-CA 3.45Å; Y71-T104 PolarHBondContact O-N 2.85Å; Y71-H146 HydrophobicContact CD1-CB 4.5Å; Y71-H146 AromaticContact CD1-CD2 3.93Å; Y71-H146 HydrophobicContact CD2-CB 3.64Å; Y71-H146 HydrophobicContact CE2-CB 4.13Å; Y71-H146 HydrophobicContact CG-CB 3.84Å; Y71-H146 AromaticContact CG-CG 3.89Å; Y71-V147 HydrophobicContact CD2-CG2 4.1Å
72	S	98.9	Very high	98.3	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.9	167	-50.3	0	0	0	0	108.8	T104 R144 H146 V147	S72-T104 CarbonylContact C-O 3.53Å; S72-T104 WeakPolarHBondContact CA-O 3.31Å; S72-R144 WeakPolarHBondContact CB-O 3.31Å; S72-H146 PolarHBondContact N-ND1 3.31Å; S72-H146 PolarHBondContact O-N 2.84Å; S72-V147 PolarHBondContact O-N 3.15Å
73	V	98.9	Very high	98.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.1	-173.2	-178	0	0	0	0	109.7	L67 A87 I91 T104 V105 I106 V147 L149	L67-V73 HydrophobicContact CD2-CG1 4.25Å; L67-V73 HydrophobicContact CD2-CG2 3.78Å; V73-A87 HydrophobicContact CG1-CB 4.2Å; V73-I91 HydrophobicContact CB-CD1 4.19Å; V73-I91 HydrophobicContact CG2-CD1 3.71Å; V73-I91 HydrophobicContact CG2-CG2 3.86Å; V73-T104 PolarHBondContact N-O 2.92Å; V73-V105 WeakPolarHBondContact O-CA 3.25Å; V73-I106 PolarHBondContact O-N 2.89Å; V73-V147 WeakPolarHBondContact CA-O 3.29Å; V73-V147 HydrophobicContact CG1-CB 4.44Å; V73-V147 HydrophobicContact CG2-CB 4.32Å; V73-L149 HydrophobicContact CG1-CD1 3.61Å; V73-L149 HydrophobicContact CG1-CG 3.92Å
74	V	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.3	171.6	179.6	0	0	0	0	109.4	I106 I108 L136 L140 A145 V147 I148 L149 I181	V74-I106 CarbonylContact C-O 3.47Å; V74-I106 VanDerWaalsContact CA-O 3.3Å; V74-I106 WeakPolarHBondContact CA-O 3.41Å; V74-I108 HydrophobicContact CG1-CD1 3.66Å; V74-I108 HydrophobicContact CG1-CG1 4.36Å; V74-L136 HydrophobicContact CG1-CD1 4.5Å; V74-L136 HydrophobicContact CG1-CD2 4.16Å; V74-L136 HydrophobicContact CG2-CD2 4.37Å; V74-L140 HydrophobicContact CG2-CD1 4.09Å; V74-L140 HydrophobicContact CG2-CD2 4.02Å; V74-A145 HydrophobicContact CG2-CB 4.03Å; V74-V147 PolarHBondContact N-O 2.82Å; V74-I148 HydrophobicContact CB-CG1 4.44Å; V74-I148 CarbonylContact O-C 3.54Å; V74-I148 WeakPolarHBondContact O-CA 3.36Å; V74-L149 PolarHBondContact O-N 3.35Å; V74-I181 HydrophobicContact CB-CD1 4.31Å; V74-I181 HydrophobicContact CG1-CD1 4.49Å; V74-I181 HydrophobicContact CG2-CD1 3.73Å
75	D	98.9	Very high	98.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	103.5	-179.8	-173.2	17.9	0	0	0	109.8	A78 W83 S84 I106 G107 I108	D75-A78 HydrophobicContact CB-CB 4.13Å; D75-A78 WeakPolarHBondContact O-CB 3.4Å; D75-W83 WeakPolarHBondContact OD2-CB 3.25Å; D75-S84 PolarHBondContact OD2-N 3.31Å; D75-S84 PolarHBondContact OD2-OG 3.33Å; D75-I106 PolarHBondContact N-O 3.19Å; D75-G107 CarbonylContact O-C 3.52Å; D75-G107 WeakPolarHBondContact O-CA 3.16Å; D75-I108 PolarHBondContact O-N 3.36Å
76	C	98.6	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.9	-177.6	-58.7	0	0	0	0	110.9	V127 L149 S150 D151 M152 L174	C76-V127 HydrophobicContact CB-CG2 4.14Å; C76-L149 WeakPolarHBondContact CB-O 3.28Å; C76-L149 PolarHBondContact N-O 2.83Å; C76-S150 WeakPolarHBondContact O-CA 3.39Å; C76-D151 PolarHBondContact O-N 2.89Å; C76-M152 HydrophobicContact CB-CE 4.26Å; C76-M152 HydrophobicContact CB-SD 4.3Å; C76-L174 HydrophobicContact CB-CD2 3.92Å
77	G	97.6	Very high	98.5	Very high	17 Å²	17	18.1 Å²	18.1	18%	0.175	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	40.6	-169.1	0	0	0	0	0	111	A79 I108 D109 M152	G77-A79 VanDerWaalsContact C-N 3.3Å; G77-A79 PolarHBondContact O-N 2.9Å; G77-I108 PolarHBondContact N-O 3.27Å; G77-D109 WeakPolarHBondContact CA-OD2 3.41Å; G77-M152 VanDerWaalsContact CA-CG 3.48Å
78	A	98.3	Very high	98.5	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.033	11%	0.111	C	C	.	.			trans	-69.1	-24.2	-168.6	0	0	0	0	0	113.1	D75 P80 G81 I108 D109 I113	D75-A78 HydrophobicContact CB-CB 4.13Å; D75-A78 WeakPolarHBondContact O-CB 3.4Å; A78-P80 CarbonylContact O-C 3.6Å; A78-G81 WeakPolarHBondContact O-CA 3.35Å; A78-G81 PolarHBondContact O-N 3.49Å; A78-I108 PolarHBondContact N-O 3.36Å; A78-D109 PolarHBondContact N-OD2 3.49Å; A78-D109 VanDerWaalsContact N-OD2 3.1Å; A78-I113 HydrophobicContact CB-CD1 3.68Å
79	A	97.8	Very high	98.5	Very high	30 Å²	30	19.7 Å²	19.7	25%	0.248	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	130.8	-173	0	0	0	0	0	111.6	G77 D109 L111 I113	G77-A79 VanDerWaalsContact C-N 3.3Å; G77-A79 PolarHBondContact O-N 2.9Å; A79-D109 HydrophobicContact CB-CB 3.96Å; A79-D109 VanDerWaalsContact CB-CG 3.4Å; A79-D109 VanDerWaalsContact CB-OD2 3.25Å; A79-D109 WeakPolarHBondContact CB-OD2 3.1Å; A79-D109 PolarHBondContact N-OD2 3.33Å; A79-L111 HydrophobicContact CB-CB 4Å; A79-L111 HydrophobicContact CB-CD1 4.42Å; A79-I113 HydrophobicContact CB-CG1 4.11Å
80	P	97.9	Very high	98.5	Very high	54 Å²	54	20 Å²	20	35%	0.351	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90	3.6	9.9	36.5	-37.8	0	0	0	114.9	R50 C51 A78	R50-P80 HydrophobicContact CB-CG 4.11Å; R50-P80 WeakPolarHBondContact CD-O 3.33Å; R50-P80 PolarHBondContact NH1-O 2.86Å; C51-P80 HydrophobicContact CB-CG 4.29Å; A78-P80 CarbonylContact O-C 3.6Å
81	G	98	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.			trans	113.9	17.4	175.6	0	0	0	0	0	113.8	A78 S84 Q85	A78-G81 WeakPolarHBondContact O-CA 3.35Å; A78-G81 PolarHBondContact O-N 3.49Å; G81-S84 WeakPolarHBondContact O-CB 3.26Å; G81-S84 PolarHBondContact O-N 3.48Å; G81-Q85 WeakPolarHBondContact O-CG 3.48Å; G81-Q85 PolarHBondContact O-N 3.37Å
82	A	98.4	Very high	98.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-71.2	-36.2	-173.8	0	0	0	0	0	113.1	R50 C51 A54 Q85 V86	R50-A82 HydrophobicContact CB-CB 4.33Å; C51-A82 WeakPolarHBondContact SG-CB 3.3Å; A54-A82 HydrophobicContact CB-CB 4.18Å; A82-Q85 PolarHBondContact O-N 2.97Å; A82-V86 PolarHBondContact O-N 2.99Å
83	W	98.8	Very high	98.5	Very high	6 Å²	6	16.3 Å²	16.3	2%	0.023	9%	0.091	C	C	.	.	H	α-helix	trans	-71.7	-40.7	173.3	-82.9	28	0	0	0	111.2	S53 K56 L57 D75 Q85 V86 A87 L149 D151 L189 Y228	S53-W83 PolarHBondContact O-NE1 3.29Å; K56-W83 HydrophobicContact CB-CZ2 4.32Å; L57-W83 HydrophobicContact CB-CD2 3.9Å; L57-W83 HydrophobicContact CB-CG 4.03Å; L57-W83 HydrophobicContact CB-CZ2 4.16Å; L57-W83 HydrophobicContact CD1-CE3 4.43Å; L57-W83 HydrophobicContact CD1-CZ3 4.44Å; L57-W83 HydrophobicContact CD2-CB 3.74Å; L57-W83 HydrophobicContact CD2-CD2 3.84Å; L57-W83 HydrophobicContact CD2-CE3 4.06Å; L57-W83 HydrophobicContact CD2-CG 3.74Å; L57-W83 HydrophobicContact CG-CD2 4.34Å; D75-W83 WeakPolarHBondContact OD2-CB 3.25Å; W83-Q85 VanDerWaalsContact C-N 3.3Å; W83-Q85 PolarHBondContact O-N 2.93Å; W83-V86 WeakPolarHBondContact O-CB 3.4Å; W83-V86 PolarHBondContact O-N 3.3Å; W83-A87 PolarHBondContact O-N 3.38Å; W83-L149 HydrophobicContact CE3-CB 3.82Å; W83-L149 HydrophobicContact CE3-CD1 4.36Å; W83-L149 HydrophobicContact CZ3-CB 3.97Å; W83-D151 HydrophobicContact CD2-CB 4Å; W83-D151 HydrophobicContact CE3-CB 4.13Å; W83-D151 HydrophobicContact CH2-CB 4.18Å; W83-D151 HydrophobicContact CZ2-CB 3.99Å; W83-D151 HydrophobicContact CZ3-CB 4.23Å; W83-L189 HydrophobicContact CH2-CD2 3.81Å; W83-L189 HydrophobicContact CH2-CG 4.36Å; W83-L189 HydrophobicContact CZ3-CD2 3.95Å; W83-L189 HydrophobicContact CZ3-CG 4.47Å; W83-Y228 AromaticContact CH2-CD1 3.88Å; W83-Y228 HydrophobicContact CH2-CD1 3.88Å; W83-Y228 AromaticContact CH2-CE1 3.38Å; W83-Y228 HydrophobicContact CH2-CE1 3.38Å; W83-Y228 HydrophobicContact CZ2-CD1 4.44Å; W83-Y228 AromaticContact CZ2-CE1 3.61Å; W83-Y228 HydrophobicContact CZ2-CE1 3.61Å
84	S	98.8	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-54.6	-40.6	169.2	-65.5	0	0	0	0	113	D75 G81 V86 A87 V88	D75-S84 PolarHBondContact OD2-N 3.31Å; D75-S84 PolarHBondContact OD2-OG 3.33Å; G81-S84 WeakPolarHBondContact O-CB 3.26Å; G81-S84 PolarHBondContact O-N 3.48Å; S84-V86 VanDerWaalsContact C-N 3.34Å; S84-V86 PolarHBondContact O-N 2.8Å; S84-A87 PolarHBondContact O-N 3.05Å; S84-V88 VanDerWaalsContact O-CG2 3.27Å; S84-V88 WeakPolarHBondContact O-CG2 3.43Å; S84-V88 PolarHBondContact O-N 3.25Å
85	Q	98.8	Very high	98.3	Very high	25 Å²	25	19.2 Å²	19.2	12%	0.117	12%	0.117	C	C	.	.	H	α-helix	trans	-58.5	-43.9	173.5	-75.5	-179.7	-68.8	0	0	112.8	N48 F49 R50 G81 A82 W83 Q89 L116	N48-Q85 PolarHBondContact O-NE2 2.95Å; N48-Q85 VanDerWaalsContact O-NE2 3.07Å; F49-Q85 HydrophobicContact CD1-CB 4.08Å; F49-Q85 HydrophobicContact CE1-CB 4.23Å; R50-Q85 VanDerWaalsContact CG-OE1 3.27Å; G81-Q85 WeakPolarHBondContact O-CG 3.48Å; G81-Q85 PolarHBondContact O-N 3.37Å; A82-Q85 PolarHBondContact O-N 2.97Å; W83-Q85 VanDerWaalsContact C-N 3.3Å; W83-Q85 PolarHBondContact O-N 2.93Å; Q85-Q89 WeakPolarHBondContact O-CG 3.46Å; Q85-Q89 PolarHBondContact O-N 3.25Å; Q85-L116 HydrophobicContact CB-CD2 4.37Å; Q85-L116 HydrophobicContact CG-CD1 3.79Å; Q85-L116 HydrophobicContact CG-CD2 3.77Å; Q85-L116 HydrophobicContact CG-CG 4.46Å
86	V	98.8	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-65.1	-45.9	176.3	176.4	0	0	0	0	109.9	F49 A54 L57 L58 A82 W83 S84 V88 Q89 R90	F49-V86 HydrophobicContact CD1-CG2 4.45Å; F49-V86 HydrophobicContact CE1-CG2 3.83Å; F49-V86 HydrophobicContact CZ-CG2 4.34Å; A54-V86 HydrophobicContact CB-CG2 3.86Å; L57-V86 HydrophobicContact CB-CG1 4.43Å; L57-V86 HydrophobicContact CD2-CB 3.99Å; L57-V86 HydrophobicContact CD2-CG1 4.03Å; L57-V86 HydrophobicContact CG-CB 4.37Å; L57-V86 HydrophobicContact CG-CG1 3.97Å; L58-V86 HydrophobicContact CD1-CG2 4.35Å; L58-V86 HydrophobicContact CD2-CB 4.46Å; L58-V86 HydrophobicContact CD2-CG1 3.65Å; L58-V86 HydrophobicContact CD2-CG2 4.04Å; L58-V86 HydrophobicContact CG-CG1 4.02Å; L58-V86 HydrophobicContact CG-CG2 3.79Å; A82-V86 PolarHBondContact O-N 2.99Å; W83-V86 WeakPolarHBondContact O-CB 3.4Å; W83-V86 PolarHBondContact O-N 3.3Å; S84-V86 VanDerWaalsContact C-N 3.34Å; S84-V86 PolarHBondContact O-N 2.8Å; V86-V88 PolarHBondContact O-N 3.42Å; V86-Q89 PolarHBondContact O-N 3.03Å; V86-R90 HydrophobicContact CG1-CG 3.98Å; V86-R90 WeakPolarHBondContact O-CB 3.23Å; V86-R90 WeakPolarHBondContact O-CG 3.5Å; V86-R90 PolarHBondContact O-N 3.43Å
87	A	98.8	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.4	-46.8	179	0	0	0	0	0	112.1	V73 W83 S84 Q89 R90 I91 V105	V73-A87 HydrophobicContact CG1-CB 4.2Å; W83-A87 PolarHBondContact O-N 3.38Å; S84-A87 PolarHBondContact O-N 3.05Å; A87-Q89 VanDerWaalsContact C-N 3.29Å; A87-Q89 PolarHBondContact O-N 2.86Å; A87-R90 PolarHBondContact O-N 3.16Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.34Å; A87-I91 PolarHBondContact O-N 2.89Å; A87-V105 HydrophobicContact CB-CG1 4.32Å; A87-V105 HydrophobicContact CB-CG2 3.82Å
88	V	98.8	Very high	97.9	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-53.7	-47.2	178.2	165.7	0	0	0	0	111.4	S84 V86 N92 S93 A94 V105 L116 D117 A119	S84-V88 VanDerWaalsContact O-CG2 3.27Å; S84-V88 WeakPolarHBondContact O-CG2 3.43Å; S84-V88 PolarHBondContact O-N 3.25Å; V86-V88 PolarHBondContact O-N 3.42Å; V88-N92 PolarHBondContact O-N 3.26Å; V88-S93 WeakPolarHBondContact CA-OG 3.33Å; V88-S93 WeakPolarHBondContact CG1-OG 3.5Å; V88-S93 WeakPolarHBondContact CG2-OG 3.43Å; V88-S93 PolarHBondContact O-N 2.83Å; V88-S93 VanDerWaalsContact O-N 3.16Å; V88-A94 HydrophobicContact CG1-CB 3.92Å; V88-V105 HydrophobicContact CG2-CB 4.26Å; V88-V105 HydrophobicContact CG2-CG2 3.84Å; V88-L116 HydrophobicContact CG2-CD2 3.92Å; V88-L116 HydrophobicContact CG2-CG 4.43Å; V88-D117 WeakPolarHBondContact CG1-O 3.35Å; V88-A119 HydrophobicContact CG2-CB 3.92Å
89	Q	98.3	Very high	97.8	Very high	117 Å²	117	40.6 Å²	40.6	55%	0.547	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-48	179	-67.8	174.1	4.9	0	0	111.4	Q85 V86 A87 I91	Q85-Q89 WeakPolarHBondContact O-CG 3.46Å; Q85-Q89 PolarHBondContact O-N 3.25Å; V86-Q89 PolarHBondContact O-N 3.03Å; A87-Q89 VanDerWaalsContact C-N 3.29Å; A87-Q89 PolarHBondContact O-N 2.86Å; Q89-I91 PolarHBondContact O-N 3.38Å
90	R	98.6	Very high	97.7	Very high	61 Å²	61	40.8 Å²	40.8	23%	0.23	24%	0.242	C	C	.	.	H	α-helix	trans	-70.6	-30.7	-173.3	-64.8	-67.2	177.5	148.7	-2.4	113.7	L58 D61 D62 L67 V86 A87	L58-R90 VanDerWaalsContact CD2-NH2 3.31Å; D61-R90 VanDerWaalsContact OD2-CD 3.3Å; D61-R90 WeakPolarHBondContact OD2-CD 3.38Å; D61-R90 IonicContact OD2-CZ 3.5Å; D61-R90 IonicContact OD2-NE 3.62Å; D61-R90 IonicContact OD2-NH1 3.16Å; D61-R90 PolarHBondContact OD2-NH1 3.43Å; D62-R90 IonicContact OD1-CZ 3.93Å; D62-R90 IonicContact OD1-NH1 2.53Å; D62-R90 PolarHBondContact OD1-NH1 3.33Å; D62-R90 IonicContact OD1-NH2 3.46Å; D62-R90 PolarHBondContact OD1-NH2 3.33Å; D62-R90 IonicContact OD2-NH2 3.4Å; L67-R90 HydrophobicContact CB-CB 3.62Å; L67-R90 HydrophobicContact CB-CG 4.38Å; L67-R90 HydrophobicContact CD1-CB 3.88Å; L67-R90 HydrophobicContact CD1-CG 4.03Å; L67-R90 HydrophobicContact CG-CB 4.42Å; V86-R90 HydrophobicContact CG1-CG 3.98Å; V86-R90 WeakPolarHBondContact O-CB 3.23Å; V86-R90 WeakPolarHBondContact O-CG 3.5Å; V86-R90 PolarHBondContact O-N 3.43Å; A87-R90 PolarHBondContact O-N 3.16Å
91	I	98.7	Very high	97.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4.7	-178.1	82.3	-171.3	0	0	0	113.5	L67 Q68 P69 G70 Y71 V73 A87 Q89 S93 G103 T104 V105	L67-I91 HydrophobicContact CB-CG2 3.99Å; L67-I91 HydrophobicContact CD2-CG2 4.38Å; Q68-I91 WeakPolarHBondContact O-CA 3.42Å; Q68-I91 WeakPolarHBondContact O-CB 3.39Å; Q68-I91 WeakPolarHBondContact O-CG2 3.38Å; P69-I91 WeakPolarHBondContact CA-O 3.49Å; G70-I91 PolarHBondContact N-O 3.13Å; G70-I91 VanDerWaalsContact N-O 3.15Å; Y71-I91 WeakPolarHBondContact O-CD1 3.43Å; V73-I91 HydrophobicContact CB-CD1 4.19Å; V73-I91 HydrophobicContact CG2-CD1 3.71Å; V73-I91 HydrophobicContact CG2-CG2 3.86Å; A87-I91 VanDerWaalsContact O-CG1 3.25Å; A87-I91 WeakPolarHBondContact O-CG1 3.34Å; A87-I91 PolarHBondContact O-N 2.89Å; Q89-I91 PolarHBondContact O-N 3.38Å; I91-S93 VanDerWaalsContact C-N 3.28Å; I91-S93 PolarHBondContact O-N 3.21Å; I91-G103 PolarHBondContact O-N 3.17Å; I91-T104 WeakPolarHBondContact CD1-O 3.36Å; I91-V105 HydrophobicContact CD1-CG2 3.32Å; I91-V105 HydrophobicContact CG1-CG2 4.15Å
92	N	98.5	Very high	97.8	Very high	7 Å²	7	50 Å²	50	4%	0.037	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.3	-178.8	-171.7	40.5	0	0	0	113.4	P69 V88 A94 G95 T96 D97 S100 P101 R102	P69-N92 HydrophobicContact CB-CB 4.39Å; V88-N92 PolarHBondContact O-N 3.26Å; N92-A94 VanDerWaalsContact C-N 3.35Å; N92-A94 PolarHBondContact O-N 2.78Å; N92-G95 PolarHBondContact O-N 2.89Å; N92-G95 VanDerWaalsContact O-N 3.08Å; N92-G95 WeakPolarHBondContact OD1-CA 3.23Å; N92-T96 PolarHBondContact OD1-N 2.97Å; N92-T96 VanDerWaalsContact OD1-N 3.09Å; N92-D97 PolarHBondContact ND2-O 2.92Å; N92-D97 PolarHBondContact OD1-N 2.77Å; N92-S100 PolarHBondContact ND2-O 3.16Å; N92-P101 PolarHBondContact ND2-O 3.18Å; N92-R102 WeakPolarHBondContact O-CA 3.15Å
93	S	98.3	Very high	97.8	Very high	7 Å²	7	50.3 Å²	50.3	5%	0.049	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-33.3	-176.1	65.8	0	0	0	0	112.7	V88 I91 G95 R102 G103 G118	V88-S93 WeakPolarHBondContact CA-OG 3.33Å; V88-S93 WeakPolarHBondContact CG1-OG 3.5Å; V88-S93 WeakPolarHBondContact CG2-OG 3.43Å; V88-S93 PolarHBondContact O-N 2.83Å; V88-S93 VanDerWaalsContact O-N 3.16Å; I91-S93 VanDerWaalsContact C-N 3.28Å; I91-S93 PolarHBondContact O-N 3.21Å; S93-G95 PolarHBondContact O-N 2.97Å; S93-R102 PolarHBondContact O-NH2 2.81Å; S93-G103 WeakPolarHBondContact CA-O 3.45Å; S93-G103 WeakPolarHBondContact CB-O 3.31Å; S93-G118 WeakPolarHBondContact CB-O 3.48Å; S93-G118 PolarHBondContact OG-O 3.13Å
94	A	97.5	Very high	97.8	Very high	38 Å²	38	51.9 Å²	51.9	31%	0.314	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-16.3	171.6	0	0	0	0	0	113	V88 N92 T96 R102	V88-A94 HydrophobicContact CG1-CB 3.92Å; N92-A94 VanDerWaalsContact C-N 3.35Å; N92-A94 PolarHBondContact O-N 2.78Å; A94-T96 HydrophobicContact CB-CG2 4.13Å; A94-R102 PolarHBondContact O-NH2 2.9Å
95	G	96.8	Very high	97.8	Very high	23 Å²	23	52 Å²	52	24%	0.237	30%	0.295	C	S	.	.			trans	69.9	31.7	-179.7	0	0	0	0	0	113.6	N92 S93 D97	N92-G95 PolarHBondContact O-N 2.89Å; N92-G95 VanDerWaalsContact O-N 3.08Å; N92-G95 WeakPolarHBondContact OD1-CA 3.23Å; S93-G95 PolarHBondContact O-N 2.97Å; G95-D97 VanDerWaalsContact C-N 3.3Å
96	T	95.2	Very high	97.8	Very high	122 Å²	122	50.9 Å²	50.9	75%	0.748	29%	0.29	S	S	*	.			trans	-70.6	-28.6	178.5	52.8	0	0	0	0	112.3	N92 A94	N92-T96 PolarHBondContact OD1-N 2.97Å; N92-T96 VanDerWaalsContact OD1-N 3.09Å; A94-T96 HydrophobicContact CB-CG2 4.13Å
97	D	95.6	Very high	97.8	Very high	78 Å²	78	50.9 Å²	50.9	42%	0.417	29%	0.29	S	S	.	.			trans	-100.6	111.8	171.2	178	11.8	0	0	0	110.3	N92 G95 G99 S100	N92-D97 PolarHBondContact ND2-O 2.92Å; N92-D97 PolarHBondContact OD1-N 2.77Å; G95-D97 VanDerWaalsContact C-N 3.3Å; D97-G99 VanDerWaalsContact C-N 3.28Å; D97-G99 PolarHBondContact O-N 2.83Å; D97-G99 PolarHBondContact OD1-N 3.1Å; D97-S100 VanDerWaalsContact OD2-CB 3.24Å; D97-S100 WeakPolarHBondContact OD2-CB 3.37Å; D97-S100 PolarHBondContact OD2-OG 3.37Å
98	Q	94.9	Very high	97.7	Very high	196 Å²	196	51 Å²	51	92%	0.916	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-19.2	-179.9	-64.9	-173.9	-8	0	0	113.3	S100	Q98-S100 VanDerWaalsContact C-N 3.33Å
99	G	96.4	Very high	97.7	Very high	74 Å²	74	51.4 Å²	51.4	76%	0.763	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.8	179.4	0	0	0	0	0	114	D97	D97-G99 VanDerWaalsContact C-N 3.28Å; D97-G99 PolarHBondContact O-N 2.83Å; D97-G99 PolarHBondContact OD1-N 3.1Å
100	S	96.9	Very high	97.7	Very high	34 Å²	34	51 Å²	51	24%	0.238	29%	0.293	C	S	.	.	S	Bend	trans	-115.9	146.4	-174.3	-70.2	0	0	0	0	112.1	N92 D97 Q98	N92-S100 PolarHBondContact ND2-O 3.16Å; D97-S100 VanDerWaalsContact OD2-CB 3.24Å; D97-S100 WeakPolarHBondContact OD2-CB 3.37Å; D97-S100 PolarHBondContact OD2-OG 3.37Å; Q98-S100 VanDerWaalsContact C-N 3.33Å
101	P	97.9	Very high	97.6	Very high	82 Å²	82	53.4 Å²	53.4	53%	0.532	31%	0.31	S	S	.	.			trans	-62	147.1	175.3	26	-33.5	0	0	0	111.3	P69 G70 N92	P69-P101 HydrophobicContact CB-CG 4.04Å; G70-P101 PolarHBondContact N-O 3.07Å; G70-P101 VanDerWaalsContact N-O 3.09Å; N92-P101 PolarHBondContact ND2-O 3.18Å
102	R	98.1	Very high	97.6	Very high	165 Å²	165	58.6 Å²	58.6	62%	0.623	34%	0.338	S	S	*	.			trans	-87.7	126	179.1	-63.5	-178.1	68.5	167.4	4.3	110.5	N92 S93 A94	N92-R102 WeakPolarHBondContact O-CA 3.15Å; S93-R102 PolarHBondContact O-NH2 2.81Å; A94-R102 PolarHBondContact O-NH2 2.9Å
103	G	98.4	Very high	97.6	Very high	9 Å²	9	58.5 Å²	58.5	9%	0.093	34%	0.337	C	S	.	.			trans	-88.1	-176	173.6	0	0	0	0	0	113.8	Y71 I91 S93	Y71-G103 CarbonylContact O-C 3.54Å; Y71-G103 WeakPolarHBondContact O-CA 3.45Å; I91-G103 PolarHBondContact O-N 3.17Å; S93-G103 WeakPolarHBondContact CA-O 3.45Å; S93-G103 WeakPolarHBondContact CB-O 3.31Å
104	T	98.8	Very high	97.6	Very high	39 Å²	39	61 Å²	61	24%	0.239	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.3	176.7	-58.6	0	0	0	0	109.6	Y71 S72 V73 I91 I106 P141	Y71-T104 PolarHBondContact O-N 2.85Å; S72-T104 CarbonylContact C-O 3.53Å; S72-T104 WeakPolarHBondContact CA-O 3.31Å; V73-T104 PolarHBondContact N-O 2.92Å; I91-T104 WeakPolarHBondContact CD1-O 3.36Å; T104-I106 HydrophobicContact CG2-CD1 4.39Å; T104-I106 HydrophobicContact CG2-CG1 4.12Å; T104-P141 WeakPolarHBondContact OG1-CG 3.5Å
105	V	98.9	Very high	97.6	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.012	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128	170.9	-179.4	0	0	0	0	108.9	V73 A87 V88 I91 A119 H120	V73-V105 WeakPolarHBondContact O-CA 3.25Å; A87-V105 HydrophobicContact CB-CG1 4.32Å; A87-V105 HydrophobicContact CB-CG2 3.82Å; V88-V105 HydrophobicContact CG2-CB 4.26Å; V88-V105 HydrophobicContact CG2-CG2 3.84Å; I91-V105 HydrophobicContact CD1-CG2 3.32Å; I91-V105 HydrophobicContact CG1-CG2 4.15Å; V105-A119 HydrophobicContact CB-CB 3.9Å; V105-A119 HydrophobicContact CG1-CB 3.86Å; V105-A119 WeakPolarHBondContact O-CA 3.42Å; V105-H120 PolarHBondContact O-N 3.04Å
106	I	98.9	Very high	97.7	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.9	168.7	-55.1	164.2	0	0	0	108.8	V73 V74 D75 T104 H120 L122 L136 L139 L140	V73-I106 PolarHBondContact O-N 2.89Å; V74-I106 CarbonylContact C-O 3.47Å; V74-I106 VanDerWaalsContact CA-O 3.3Å; V74-I106 WeakPolarHBondContact CA-O 3.41Å; D75-I106 PolarHBondContact N-O 3.19Å; T104-I106 HydrophobicContact CG2-CD1 4.39Å; T104-I106 HydrophobicContact CG2-CG1 4.12Å; I106-H120 CarbonylContact C-O 3.58Å; I106-H120 VanDerWaalsContact CA-O 3.26Å; I106-H120 WeakPolarHBondContact CA-O 3.41Å; I106-H120 HydrophobicContact CG1-CB 4.46Å; I106-L122 HydrophobicContact CG2-CD1 4.42Å; I106-L122 HydrophobicContact CG2-CG 4.33Å; I106-L136 HydrophobicContact CB-CD2 4.26Å; I106-L136 HydrophobicContact CD1-CD2 4.39Å; I106-L136 HydrophobicContact CG2-CD2 3.62Å; I106-L139 HydrophobicContact CD1-CB 3.49Å; I106-L139 VanDerWaalsContact CD1-CB 3.49Å; I106-L139 HydrophobicContact CG1-CB 4.36Å; I106-L139 HydrophobicContact CG2-CD1 4.41Å; I106-L140 HydrophobicContact CD1-CB 4.49Å; I106-L140 HydrophobicContact CD1-CD2 3.61Å; I106-L140 HydrophobicContact CD1-CG 3.61Å
107	G	98.8	Very high	97.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142.9	173	0	0	0	0	0	111.7	D75 H120 F121 L122	D75-G107 CarbonylContact O-C 3.52Å; D75-G107 WeakPolarHBondContact O-CA 3.16Å; G107-H120 PolarHBondContact N-O 3.44Å; G107-F121 WeakPolarHBondContact O-CA 3.47Å; G107-L122 PolarHBondContact O-N 2.95Å
108	I	98.6	Very high	97.9	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.7	179.8	-47.3	161.8	0	0	0	108	V74 D75 G77 A78 L122 H125 V127 T132 L136	V74-I108 HydrophobicContact CG1-CD1 3.66Å; V74-I108 HydrophobicContact CG1-CG1 4.36Å; D75-I108 PolarHBondContact O-N 3.36Å; G77-I108 PolarHBondContact N-O 3.27Å; A78-I108 PolarHBondContact N-O 3.36Å; I108-L122 HydrophobicContact CG1-CB 4.43Å; I108-L122 HydrophobicContact CG1-CD1 4.45Å; I108-L122 HydrophobicContact CG2-CB 4.45Å; I108-H125 HydrophobicContact CG2-CB 4.06Å; I108-V127 HydrophobicContact CD1-CG2 4.41Å; I108-T132 HydrophobicContact CD1-CG2 4.36Å; I108-T132 HydrophobicContact CG2-CG2 3.99Å; I108-L136 HydrophobicContact CD1-CD1 3.45Å; I108-L136 VanDerWaalsContact CD1-CD1 3.45Å; I108-L136 HydrophobicContact CD1-CD2 3.59Å; I108-L136 HydrophobicContact CD1-CG 3.96Å; I108-L136 HydrophobicContact CG1-CD2 3.93Å
109	D	98.4	Very high	98.1	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.118	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	153.7	172.2	-154.5	-69.6	0	0	0	110.8	G77 A78 A79 L111 I113 L122 S123 N124 H125	G77-D109 WeakPolarHBondContact CA-OD2 3.41Å; A78-D109 PolarHBondContact N-OD2 3.49Å; A78-D109 VanDerWaalsContact N-OD2 3.1Å; A79-D109 HydrophobicContact CB-CB 3.96Å; A79-D109 VanDerWaalsContact CB-CG 3.4Å; A79-D109 VanDerWaalsContact CB-OD2 3.25Å; A79-D109 WeakPolarHBondContact CB-OD2 3.1Å; A79-D109 PolarHBondContact N-OD2 3.33Å; D109-L111 PolarHBondContact O-N 3.08Å; D109-L111 WeakPolarHBondContact OD1-CB 3.36Å; D109-L111 WeakPolarHBondContact OD1-CG 3.48Å; D109-L111 PolarHBondContact OD1-N 3.25Å; D109-I113 HydrophobicContact CB-CD1 3.79Å; D109-I113 HydrophobicContact CB-CG1 3.89Å; D109-L122 PolarHBondContact N-O 2.87Å; D109-S123 CarbonylContact O-C 3.56Å; D109-N124 WeakPolarHBondContact O-CA 3.14Å; D109-N124 PolarHBondContact O-N 2.84Å; D109-H125 CarbonylContact C-O 3.52Å; D109-H125 VanDerWaalsContact C-O 3.29Å; D109-H125 PolarHBondContact O-N 3.26Å
110	L	97.6	Very high	98.2	Very high	108 Å²	108	56.6 Å²	56.6	57%	0.565	32%	0.316	S	S	*	.	S	Bend	trans	-68.1	-23.1	169.4	-66.8	174.5	0	0	0	111.5	N124 D126	L110-N124 WeakPolarHBondContact O-CA 3.3Å; L110-N124 PolarHBondContact O-OD1 3.23Å; L110-D126 HydrophobicContact CD2-CB 3.79Å
111	L	97.5	Very high	98.3	Very high	113 Å²	113	56.4 Å²	56.4	59%	0.592	31%	0.312	S	S	*	.	S	Bend	trans	-93.8	160.9	177.4	-55.4	-179.2	0	0	0	111.3	A79 D109 I113	A79-L111 HydrophobicContact CB-CB 4Å; A79-L111 HydrophobicContact CB-CD1 4.42Å; D109-L111 PolarHBondContact O-N 3.08Å; D109-L111 WeakPolarHBondContact OD1-CB 3.36Å; D109-L111 WeakPolarHBondContact OD1-CG 3.48Å; D109-L111 PolarHBondContact OD1-N 3.25Å; L111-I113 PolarHBondContact O-N 3.32Å
112	N	97.9	Very high	98.3	Very high	109 Å²	109	53.1 Å²	53.1	58%	0.583	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-67.2	126.9	170.1	-179.5	64.7	0	0	0	111.3
113	I	98.4	Very high	98.3	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.026	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-101.5	123.2	173.5	-49.1	165.2	0	0	0	108.5	A78 A79 D109 L111 F121 S123	A78-I113 HydrophobicContact CB-CD1 3.68Å; A79-I113 HydrophobicContact CB-CG1 4.11Å; D109-I113 HydrophobicContact CB-CD1 3.79Å; D109-I113 HydrophobicContact CB-CG1 3.89Å; L111-I113 PolarHBondContact O-N 3.32Å; I113-F121 HydrophobicContact CB-CB 4.25Å; I113-F121 HydrophobicContact CB-CD1 4.17Å; I113-F121 HydrophobicContact CB-CD2 4.09Å; I113-F121 HydrophobicContact CB-CG 3.92Å; I113-F121 HydrophobicContact CD1-CB 4.14Å; I113-F121 HydrophobicContact CD1-CD1 3.6Å; I113-F121 HydrophobicContact CD1-CE1 4.27Å; I113-F121 HydrophobicContact CD1-CG 4.01Å; I113-F121 HydrophobicContact CG2-CD1 3.85Å; I113-F121 HydrophobicContact CG2-CD2 3.77Å; I113-F121 HydrophobicContact CG2-CE1 3.8Å; I113-F121 HydrophobicContact CG2-CE2 3.68Å; I113-F121 HydrophobicContact CG2-CG 3.86Å; I113-F121 HydrophobicContact CG2-CZ 3.71Å; I113-S123 PolarHBondContact N-OG 3.47Å
114	P	97.6	Very high	98.2	Very high	58 Å²	58	51.3 Å²	51.3	38%	0.377	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-58.2	143	174	-25	34.3	0	0	0	111.8	R50 F121	R50-P114 VanDerWaalsContact CZ-O 3.29Å; R50-P114 PolarHBondContact NH1-O 3.3Å; R50-P114 PolarHBondContact NH2-O 3.23Å; P114-F121 WeakPolarHBondContact O-CE2 3.48Å
115	P	98	Very high	98.2	Very high	118 Å²	118	51.5 Å²	51.5	77%	0.766	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-59.1	145.2	-176.9	25.3	-34.9	0	0	0	112	R50	R50-P115 PolarHBondContact NH2-O 2.79Å
116	L	98.1	Very high	98.1	Very high	33 Å²	33	54.4 Å²	54.4	17%	0.173	31%	0.305	C	S	.	.			trans	-139.6	124.1	-179.1	178.6	66.9	0	0	0	109	Q85 V88 G118 A119 F121	Q85-L116 HydrophobicContact CB-CD2 4.37Å; Q85-L116 HydrophobicContact CG-CD1 3.79Å; Q85-L116 HydrophobicContact CG-CD2 3.77Å; Q85-L116 HydrophobicContact CG-CG 4.46Å; V88-L116 HydrophobicContact CG2-CD2 3.92Å; V88-L116 HydrophobicContact CG2-CG 4.43Å; L116-G118 PolarHBondContact O-N 3.43Å; L116-A119 HydrophobicContact CB-CB 4.26Å; L116-A119 HydrophobicContact CD2-CB 4.09Å; L116-A119 HydrophobicContact CG-CB 4.38Å; L116-A119 PolarHBondContact O-N 3.38Å; L116-F121 HydrophobicContact CB-CE2 3.5Å; L116-F121 VanDerWaalsContact CB-CE2 3.5Å; L116-F121 HydrophobicContact CB-CZ 3.73Å; L116-F121 HydrophobicContact CD2-CZ 4.13Å
117	D	98.1	Very high	98	Very high	145 Å²	145	54.9 Å²	54.9	78%	0.775	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	133.6	177	-64.4	-19.4	0	0	0	111	V88 A119	V88-D117 WeakPolarHBondContact CG1-O 3.35Å; D117-A119 VanDerWaalsContact C-N 3.33Å
118	G	97.9	Very high	97.8	Very high	31 Å²	31	58.4 Å²	58.4	32%	0.32	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	2.4	-175.9	0	0	0	0	0	115.1	S93 L116	S93-G118 WeakPolarHBondContact CB-O 3.48Å; S93-G118 PolarHBondContact OG-O 3.13Å; L116-G118 PolarHBondContact O-N 3.43Å
119	A	98.6	Very high	97.7	Very high	22 Å²	22	61.7 Å²	61.7	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.7	172.9	0	0	0	0	0	112.1	V88 V105 L116 D117 F121	V88-A119 HydrophobicContact CG2-CB 3.92Å; V105-A119 HydrophobicContact CB-CB 3.9Å; V105-A119 HydrophobicContact CG1-CB 3.86Å; V105-A119 WeakPolarHBondContact O-CA 3.42Å; L116-A119 HydrophobicContact CB-CB 4.26Å; L116-A119 HydrophobicContact CD2-CB 4.09Å; L116-A119 HydrophobicContact CG-CB 4.38Å; L116-A119 PolarHBondContact O-N 3.38Å; D117-A119 VanDerWaalsContact C-N 3.33Å; A119-F121 HydrophobicContact CB-CE1 4.09Å; A119-F121 HydrophobicContact CB-CE2 4.31Å; A119-F121 HydrophobicContact CB-CZ 3.81Å
120	H	98.4	Very high	97.6	Very high	90 Å²	90	65.3 Å²	65.3	42%	0.417	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.7	168.7	-170.1	84.6	0	0	0	109.5	V105 I106 G107 L139	V105-H120 PolarHBondContact O-N 3.04Å; I106-H120 CarbonylContact C-O 3.58Å; I106-H120 VanDerWaalsContact CA-O 3.26Å; I106-H120 WeakPolarHBondContact CA-O 3.41Å; I106-H120 HydrophobicContact CG1-CB 4.46Å; G107-H120 PolarHBondContact N-O 3.44Å; H120-L139 WeakPolarHBondContact CD2-CD1 3.42Å
121	F	98.6	Very high	97.6	Very high	31 Å²	31	62.9 Å²	62.9	14%	0.136	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123.9	-177.4	-67	-51.1	0	0	0	112.4	G107 I113 P114 L116 A119 S123	G107-F121 WeakPolarHBondContact O-CA 3.47Å; I113-F121 HydrophobicContact CB-CB 4.25Å; I113-F121 HydrophobicContact CB-CD1 4.17Å; I113-F121 HydrophobicContact CB-CD2 4.09Å; I113-F121 HydrophobicContact CB-CG 3.92Å; I113-F121 HydrophobicContact CD1-CB 4.14Å; I113-F121 HydrophobicContact CD1-CD1 3.6Å; I113-F121 HydrophobicContact CD1-CE1 4.27Å; I113-F121 HydrophobicContact CD1-CG 4.01Å; I113-F121 HydrophobicContact CG2-CD1 3.85Å; I113-F121 HydrophobicContact CG2-CD2 3.77Å; I113-F121 HydrophobicContact CG2-CE1 3.8Å; I113-F121 HydrophobicContact CG2-CE2 3.68Å; I113-F121 HydrophobicContact CG2-CG 3.86Å; I113-F121 HydrophobicContact CG2-CZ 3.71Å; P114-F121 WeakPolarHBondContact O-CE2 3.48Å; L116-F121 HydrophobicContact CB-CE2 3.5Å; L116-F121 VanDerWaalsContact CB-CE2 3.5Å; L116-F121 HydrophobicContact CB-CZ 3.73Å; L116-F121 HydrophobicContact CD2-CZ 4.13Å; A119-F121 HydrophobicContact CB-CE1 4.09Å; A119-F121 HydrophobicContact CB-CE2 4.31Å; A119-F121 HydrophobicContact CB-CZ 3.81Å; F121-S123 VanDerWaalsContact C-N 3.34Å; F121-S123 PolarHBondContact O-N 3.42Å
122	L	98.3	Very high	97.6	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.068	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	73.4	165.2	-62.4	-178	0	0	0	108.6	I106 G107 I108 D109 H125 T132 K135 L136 L139	I106-L122 HydrophobicContact CG2-CD1 4.42Å; I106-L122 HydrophobicContact CG2-CG 4.33Å; G107-L122 PolarHBondContact O-N 2.95Å; I108-L122 HydrophobicContact CG1-CB 4.43Å; I108-L122 HydrophobicContact CG1-CD1 4.45Å; I108-L122 HydrophobicContact CG2-CB 4.45Å; D109-L122 PolarHBondContact N-O 2.87Å; L122-H125 HydrophobicContact CB-CB 4.12Å; L122-T132 HydrophobicContact CD1-CG2 4.3Å; L122-K135 HydrophobicContact CD1-CB 4.07Å; L122-L136 HydrophobicContact CD1-CD2 3.94Å; L122-L136 HydrophobicContact CD1-CG 4.18Å; L122-L139 HydrophobicContact CD1-CD1 4.19Å; L122-L139 HydrophobicContact CD2-CD1 3.83Å; L122-L139 HydrophobicContact CG-CD1 4.14Å
123	S	97.9	Very high	97.6	Very high	23 Å²	23	53.3 Å²	53.3	16%	0.161	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.2	174.1	-68	0	0	0	0	111.2	D109 I113 F121 H125	D109-S123 CarbonylContact O-C 3.56Å; I113-S123 PolarHBondContact N-OG 3.47Å; F121-S123 VanDerWaalsContact C-N 3.34Å; F121-S123 PolarHBondContact O-N 3.42Å; S123-H125 VanDerWaalsContact C-N 3.27Å; S123-H125 PolarHBondContact O-N 3.35Å; S123-H125 PolarHBondContact O-ND1 3Å
124	N	97.7	Very high	97.5	Very high	113 Å²	113	54.3 Å²	54.3	60%	0.604	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	34.6	-178	-42.1	-65.1	0	0	0	113.7	D109 L110	D109-N124 WeakPolarHBondContact O-CA 3.14Å; D109-N124 PolarHBondContact O-N 2.84Å; L110-N124 WeakPolarHBondContact O-CA 3.3Å; L110-N124 PolarHBondContact O-OD1 3.23Å
125	H	97.7	Very high	97.5	Very high	43 Å²	43	55.7 Å²	55.7	20%	0.199	33%	0.328	C	S	.	.			trans	-117.3	140.1	175.9	-72.8	67.4	0	0	0	110.3	I108 D109 L122 S123 T132 K135	I108-H125 HydrophobicContact CG2-CB 4.06Å; D109-H125 CarbonylContact C-O 3.52Å; D109-H125 VanDerWaalsContact C-O 3.29Å; D109-H125 PolarHBondContact O-N 3.26Å; L122-H125 HydrophobicContact CB-CB 4.12Å; S123-H125 VanDerWaalsContact C-N 3.27Å; S123-H125 PolarHBondContact O-N 3.35Å; S123-H125 PolarHBondContact O-ND1 3Å; H125-T132 HydrophobicContact CB-CG2 4.09Å; H125-K135 PolarHBondContact NE2-NZ 3.43Å
126	D	96.8	Very high	97.5	Very high	62 Å²	62	50.1 Å²	50.1	33%	0.332	29%	0.292	S	S	.	.			trans	-87.7	128.4	174.2	-165.8	-34.4	0	0	0	109.8	L110 T128 D129 T132	L110-D126 HydrophobicContact CD2-CB 3.79Å; D126-T128 PolarHBondContact O-N 2.75Å; D126-T128 WeakPolarHBondContact OD1-CB 3.4Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.44Å; D126-T128 PolarHBondContact OD1-N 2.98Å; D126-T128 PolarHBondContact OD1-OG1 3.5Å; D126-T128 PolarHBondContact OD2-OG1 3.18Å; D126-D129 HydrophobicContact CB-CB 4.17Å; D126-D129 PolarHBondContact O-N 3.22Å; D126-T132 WeakPolarHBondContact O-CB 3.49Å; D126-T132 WeakPolarHBondContact O-CG2 3.43Å; D126-T132 PolarHBondContact O-OG1 3.18Å
127	V	96.4	Very high	97.5	Very high	12 Å²	12	52.2 Å²	52.2	7%	0.073	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.8	177	71.8	0	0	0	0	112.6	C76 I108 H133 M152 L174 L177	C76-V127 HydrophobicContact CB-CG2 4.14Å; I108-V127 HydrophobicContact CD1-CG2 4.41Å; V127-H133 PolarHBondContact O-CD2 3.34Å; V127-H133 PolarHBondContact O-NE2 2.85Å; V127-M152 HydrophobicContact CG1-CE 4.21Å; V127-M152 HydrophobicContact CG1-SD 3.88Å; V127-L174 HydrophobicContact CG2-CD2 4.2Å; V127-L177 HydrophobicContact CG2-CD2 3.77Å
128	T	95.6	Very high	97.5	Very high	73 Å²	73	53 Å²	53	45%	0.448	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.1	179.6	68.7	0	0	0	0	112.8	D126 P130	D126-T128 PolarHBondContact O-N 2.75Å; D126-T128 WeakPolarHBondContact OD1-CB 3.4Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.44Å; D126-T128 PolarHBondContact OD1-N 2.98Å; D126-T128 PolarHBondContact OD1-OG1 3.5Å; D126-T128 PolarHBondContact OD2-OG1 3.18Å; T128-P130 WeakPolarHBondContact O-CD 3.47Å
129	D	96.9	Very high	97.5	Very high	71 Å²	71	54.5 Å²	54.5	38%	0.38	30%	0.3	S	S	.	.			trans	-76	124.2	-178.2	-175.8	-8.7	0	0	0	111.3	D126 A131 T132 H133	D126-D129 HydrophobicContact CB-CB 4.17Å; D126-D129 PolarHBondContact O-N 3.22Å; D129-A131 PolarHBondContact O-N 3.49Å; D129-A131 WeakPolarHBondContact OD1-CB 3.49Å; D129-A131 PolarHBondContact OD1-N 3.37Å; D129-T132 WeakPolarHBondContact O-CA 3.2Å; D129-T132 VanDerWaalsContact O-CB 3.3Å; D129-T132 WeakPolarHBondContact O-CB 3.3Å; D129-T132 PolarHBondContact O-N 3.29Å; D129-H133 PolarHBondContact O-CD2 3.24Å; D129-H133 PolarHBondContact O-N 2.78Å
130	P	95.8	Very high	97.5	Very high	98 Å²	98	53.7 Å²	53.7	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-54.2	-31.2	173.3	-26.8	35.5	0	0	0	114.4	T128 T132 H133 G134	T128-P130 WeakPolarHBondContact O-CD 3.47Å; P130-T132 VanDerWaalsContact C-N 3.32Å; P130-T132 PolarHBondContact O-N 3.47Å; P130-H133 WeakPolarHBondContact O-CB 3.36Å; P130-H133 PolarHBondContact O-N 2.92Å; P130-G134 PolarHBondContact O-N 3.22Å
131	A	97.1	Very high	97.4	Very high	57 Å²	57	52.4 Å²	52.4	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-37.2	175.9	0	0	0	0	0	111.5	D129 H133 G134 K135	D129-A131 PolarHBondContact O-N 3.49Å; D129-A131 WeakPolarHBondContact OD1-CB 3.49Å; D129-A131 PolarHBondContact OD1-N 3.37Å; A131-H133 VanDerWaalsContact C-N 3.31Å; A131-G134 PolarHBondContact O-N 3.18Å; A131-K135 PolarHBondContact O-N 3.2Å; A131-K135 VanDerWaalsContact O-N 3.14Å
132	T	97.6	Very high	97.3	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-39.1	172.2	-57.4	0	0	0	0	110.9	I108 L122 H125 D126 D129 P130 G134 K135 L136	I108-T132 HydrophobicContact CD1-CG2 4.36Å; I108-T132 HydrophobicContact CG2-CG2 3.99Å; L122-T132 HydrophobicContact CD1-CG2 4.3Å; H125-T132 HydrophobicContact CB-CG2 4.09Å; D126-T132 WeakPolarHBondContact O-CB 3.49Å; D126-T132 WeakPolarHBondContact O-CG2 3.43Å; D126-T132 PolarHBondContact O-OG1 3.18Å; D129-T132 WeakPolarHBondContact O-CA 3.2Å; D129-T132 VanDerWaalsContact O-CB 3.3Å; D129-T132 WeakPolarHBondContact O-CB 3.3Å; D129-T132 PolarHBondContact O-N 3.29Å; P130-T132 VanDerWaalsContact C-N 3.32Å; P130-T132 PolarHBondContact O-N 3.47Å; T132-G134 VanDerWaalsContact C-N 3.34Å; T132-G134 PolarHBondContact O-N 3.42Å; T132-K135 PolarHBondContact O-N 3.32Å; T132-L136 HydrophobicContact CG2-CD1 4.41Å; T132-L136 WeakPolarHBondContact O-CG 3.5Å; T132-L136 PolarHBondContact O-N 3.32Å
133	H	97.6	Very high	97.2	Very high	20 Å²	20	62.7 Å²	62.7	9%	0.093	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-40.8	177.4	-60.1	-179.6	0	0	0	111.8	V127 D129 P130 A131 L136 Q137	V127-H133 PolarHBondContact O-CD2 3.34Å; V127-H133 PolarHBondContact O-NE2 2.85Å; D129-H133 PolarHBondContact O-CD2 3.24Å; D129-H133 PolarHBondContact O-N 2.78Å; P130-H133 WeakPolarHBondContact O-CB 3.36Å; P130-H133 PolarHBondContact O-N 2.92Å; A131-H133 VanDerWaalsContact C-N 3.31Å; H133-L136 WeakPolarHBondContact O-CB 3.07Å; H133-L136 PolarHBondContact O-N 2.82Å; H133-Q137 WeakPolarHBondContact O-CG 3.41Å; H133-Q137 PolarHBondContact O-N 2.64Å
134	G	97.4	Very high	97.2	Very high	26 Å²	26	65.6 Å²	65.6	27%	0.268	34%	0.34	S	S	.	.	H	α-helix	trans	-59.5	-49.2	173.9	0	0	0	0	0	112.3	P130 A131 T132 L136 Q137 E138	P130-G134 PolarHBondContact O-N 3.22Å; A131-G134 PolarHBondContact O-N 3.18Å; T132-G134 VanDerWaalsContact C-N 3.34Å; T132-G134 PolarHBondContact O-N 3.42Å; G134-L136 VanDerWaalsContact C-N 3.3Å; G134-L136 PolarHBondContact O-N 3.4Å; G134-Q137 WeakPolarHBondContact O-CB 3.4Å; G134-Q137 PolarHBondContact O-N 2.91Å; G134-E138 WeakPolarHBondContact O-CG 3.47Å; G134-E138 PolarHBondContact O-N 3.41Å
135	K	97.8	Very high	97.3	Very high	88 Å²	88	60.2 Å²	60.2	38%	0.383	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-38.9	176.2	-68.6	-178.6	-174.5	-176.6	0	112.7	L122 H125 A131 T132 Q137 E138 L139	L122-K135 HydrophobicContact CD1-CB 4.07Å; H125-K135 PolarHBondContact NE2-NZ 3.43Å; A131-K135 PolarHBondContact O-N 3.2Å; A131-K135 VanDerWaalsContact O-N 3.14Å; T132-K135 PolarHBondContact O-N 3.32Å; K135-Q137 VanDerWaalsContact C-N 3.33Å; K135-Q137 PolarHBondContact O-N 3.27Å; K135-E138 PolarHBondContact O-N 3.28Å; K135-L139 WeakPolarHBondContact O-CB 3.36Å; K135-L139 VanDerWaalsContact O-CG 3.31Å; K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 3.26Å
136	L	98	Very high	97.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-42.9	174.6	-70.9	167.6	0	0	0	111.6	V74 I106 I108 L122 T132 H133 G134 E138 L139 L140 L177 I181	V74-L136 HydrophobicContact CG1-CD1 4.5Å; V74-L136 HydrophobicContact CG1-CD2 4.16Å; V74-L136 HydrophobicContact CG2-CD2 4.37Å; I106-L136 HydrophobicContact CB-CD2 4.26Å; I106-L136 HydrophobicContact CD1-CD2 4.39Å; I106-L136 HydrophobicContact CG2-CD2 3.62Å; I108-L136 HydrophobicContact CD1-CD1 3.45Å; I108-L136 VanDerWaalsContact CD1-CD1 3.45Å; I108-L136 HydrophobicContact CD1-CD2 3.59Å; I108-L136 HydrophobicContact CD1-CG 3.96Å; I108-L136 HydrophobicContact CG1-CD2 3.93Å; L122-L136 HydrophobicContact CD1-CD2 3.94Å; L122-L136 HydrophobicContact CD1-CG 4.18Å; T132-L136 HydrophobicContact CG2-CD1 4.41Å; T132-L136 WeakPolarHBondContact O-CG 3.5Å; T132-L136 PolarHBondContact O-N 3.32Å; H133-L136 WeakPolarHBondContact O-CB 3.07Å; H133-L136 PolarHBondContact O-N 2.82Å; G134-L136 VanDerWaalsContact C-N 3.3Å; G134-L136 PolarHBondContact O-N 3.4Å; L136-E138 VanDerWaalsContact C-N 3.29Å; L136-E138 PolarHBondContact O-N 2.53Å; L136-L139 PolarHBondContact O-N 2.9Å; L136-L140 HydrophobicContact CB-CD1 4.34Å; L136-L140 WeakPolarHBondContact O-CB 3.08Å; L136-L140 WeakPolarHBondContact O-CD1 3.21Å; L136-L140 WeakPolarHBondContact O-CG 3.14Å; L136-L140 PolarHBondContact O-N 3.05Å; L136-L177 HydrophobicContact CD1-CD1 3.8Å; L136-L177 HydrophobicContact CD1-CD2 4.5Å; L136-I181 HydrophobicContact CD1-CD1 4.34Å
137	Q	97.9	Very high	97.4	Very high	78 Å²	78	58 Å²	58	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-33.8	178.1	-71.2	176.2	-35.4	0	0	112.5	H133 G134 K135 G143 K180 I181	H133-Q137 WeakPolarHBondContact O-CG 3.41Å; H133-Q137 PolarHBondContact O-N 2.64Å; G134-Q137 WeakPolarHBondContact O-CB 3.4Å; G134-Q137 PolarHBondContact O-N 2.91Å; K135-Q137 VanDerWaalsContact C-N 3.33Å; K135-Q137 PolarHBondContact O-N 3.27Å; Q137-G143 WeakPolarHBondContact O-CA 3.37Å; Q137-K180 PolarHBondContact NE2-O 3.39Å; Q137-I181 HydrophobicContact CG-CG2 3.73Å
138	E	97.9	Very high	97.5	Very high	160 Å²	160	57.4 Å²	57.4	75%	0.748	30%	0.295	S	S	*	.	H	α-helix	trans	-68.5	-41.5	175.2	-69.1	168.8	-174.6	0	0	112.2	G134 K135 L136	G134-E138 WeakPolarHBondContact O-CG 3.47Å; G134-E138 PolarHBondContact O-N 3.41Å; K135-E138 PolarHBondContact O-N 3.28Å; L136-E138 VanDerWaalsContact C-N 3.29Å; L136-E138 PolarHBondContact O-N 2.53Å
139	L	97.8	Very high	97.7	Very high	63 Å²	63	53.9 Å²	53.9	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-80.2	-28.3	-177.3	-69.5	168.8	0	0	0	113.5	I106 H120 L122 K135 L136	I106-L139 HydrophobicContact CD1-CB 3.49Å; I106-L139 VanDerWaalsContact CD1-CB 3.49Å; I106-L139 HydrophobicContact CG1-CB 4.36Å; I106-L139 HydrophobicContact CG2-CD1 4.41Å; H120-L139 WeakPolarHBondContact CD2-CD1 3.42Å; L122-L139 HydrophobicContact CD1-CD1 4.19Å; L122-L139 HydrophobicContact CD2-CD1 3.83Å; L122-L139 HydrophobicContact CG-CD1 4.14Å; K135-L139 WeakPolarHBondContact O-CB 3.36Å; K135-L139 VanDerWaalsContact O-CG 3.31Å; K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 3.26Å; L136-L139 PolarHBondContact O-N 2.9Å
140	L	98.3	Very high	97.8	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	26%	0.256	C	S	.	.	S	Bend	trans	-76.7	138.5	-179.4	-75.5	167	0	0	0	111	V74 I106 L136 R142 G143 A145 I181	V74-L140 HydrophobicContact CG2-CD1 4.09Å; V74-L140 HydrophobicContact CG2-CD2 4.02Å; I106-L140 HydrophobicContact CD1-CB 4.49Å; I106-L140 HydrophobicContact CD1-CD2 3.61Å; I106-L140 HydrophobicContact CD1-CG 3.61Å; L136-L140 HydrophobicContact CB-CD1 4.34Å; L136-L140 WeakPolarHBondContact O-CB 3.08Å; L136-L140 WeakPolarHBondContact O-CD1 3.21Å; L136-L140 WeakPolarHBondContact O-CG 3.14Å; L136-L140 PolarHBondContact O-N 3.05Å; L140-R142 PolarHBondContact O-N 2.7Å; L140-R142 VanDerWaalsContact O-N 3.1Å; L140-G143 PolarHBondContact O-N 3.25Å; L140-A145 HydrophobicContact CD1-CB 4.15Å; L140-A145 HydrophobicContact CD2-CB 4.32Å; L140-I181 HydrophobicContact CD1-CB 4.06Å; L140-I181 HydrophobicContact CD1-CD1 4.03Å; L140-I181 HydrophobicContact CD1-CG2 4.22Å
141	P	96.7	Very high	97.8	Very high	62 Å²	62	47 Å²	47	40%	0.403	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-53.4	121.5	167.8	-25.8	33.8	0	0	0	111	T104 G143 R144	T104-P141 WeakPolarHBondContact OG1-CG 3.5Å; P141-G143 PolarHBondContact O-N 2.98Å; P141-G143 VanDerWaalsContact O-N 3.13Å; P141-R144 PolarHBondContact O-N 3.2Å
142	R	95.6	Very high	97.7	Very high	249 Å²	249	45 Å²	45	94%	0.94	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	58.5	18.5	-176.1	-53.1	177.5	177	176.7	-1.3	114.1	L140 R144	L140-R142 PolarHBondContact O-N 2.7Å; L140-R142 VanDerWaalsContact O-N 3.1Å; R142-R144 VanDerWaalsContact C-N 3.28Å; R142-R144 WeakPolarHBondContact O-CG 3.48Å; R142-R144 PolarHBondContact O-N 2.72Å
143	G	97	Very high	97.6	Very high	11 Å²	11	47.2 Å²	47.2	11%	0.113	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	65.6	26.7	-175.8	0	0	0	0	0	114.5	Q137 L140 P141	Q137-G143 WeakPolarHBondContact O-CA 3.37Å; L140-G143 PolarHBondContact O-N 3.25Å; P141-G143 PolarHBondContact O-N 2.98Å; P141-G143 VanDerWaalsContact O-N 3.13Å
144	R	98	Very high	97.4	Very high	84 Å²	84	47.3 Å²	47.3	32%	0.317	23%	0.234	S	C	.	.			trans	-133.6	145.6	-172.5	-61.9	-65.9	179.1	-148.7	-7.9	114.2	S72 P141 R142 K180 I181 L183	S72-R144 WeakPolarHBondContact CB-O 3.31Å; P141-R144 PolarHBondContact O-N 3.2Å; R142-R144 VanDerWaalsContact C-N 3.28Å; R142-R144 WeakPolarHBondContact O-CG 3.48Å; R142-R144 PolarHBondContact O-N 2.72Å; R144-K180 PolarHBondContact NH1-O 2.93Å; R144-I181 CarbonylContact C-O 3.56Å; R144-I181 VanDerWaalsContact CA-O 3.25Å; R144-I181 WeakPolarHBondContact CA-O 3.27Å; R144-L183 HydrophobicContact CB-CD1 4.31Å; R144-L183 HydrophobicContact CB-CD2 3.5Å; R144-L183 HydrophobicContact CB-CG 3.74Å; R144-L183 HydrophobicContact CG-CD2 3.57Å; R144-L183 HydrophobicContact CG-CG 4.32Å
145	A	98.6	Very high	97.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.3	175.6	0	0	0	0	0	111.1	V74 L140 I181 L183	V74-A145 HydrophobicContact CG2-CB 4.03Å; L140-A145 HydrophobicContact CD1-CB 4.15Å; L140-A145 HydrophobicContact CD2-CB 4.32Å; A145-I181 HydrophobicContact CB-CD1 4.13Å; A145-I181 HydrophobicContact CB-CG1 4.47Å; A145-I181 PolarHBondContact N-O 2.82Å; A145-L183 WeakPolarHBondContact O-CG 3.49Å; A145-L183 PolarHBondContact O-N 3.04Å
146	H	98.8	Very high	96.7	Very high	57 Å²	57	53.3 Å²	53.3	26%	0.264	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-35.6	170.7	-62	75.7	0	0	0	110.5	Y71 S72 G186 S187	Y71-H146 HydrophobicContact CD1-CB 4.5Å; Y71-H146 AromaticContact CD1-CD2 3.93Å; Y71-H146 HydrophobicContact CD2-CB 3.64Å; Y71-H146 HydrophobicContact CE2-CB 4.13Å; Y71-H146 HydrophobicContact CG-CB 3.84Å; Y71-H146 AromaticContact CG-CG 3.89Å; S72-H146 PolarHBondContact N-ND1 3.31Å; S72-H146 PolarHBondContact O-N 2.84Å; H146-G186 VanDerWaalsContact O-CA 3.25Å; H146-G186 WeakPolarHBondContact O-CA 3.42Å; H146-S187 PolarHBondContact O-N 2.82Å
147	V	98.9	Very high	96.4	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	134.2	-176.2	-176.6	0	0	0	0	110.4	L66 L67 Y71 S72 V73 V74 L149 S187	L66-V147 HydrophobicContact CD1-CG1 3.9Å; L66-V147 HydrophobicContact CD1-CG2 3.99Å; L66-V147 HydrophobicContact CD2-CG1 3.83Å; L66-V147 HydrophobicContact CG-CG1 3.78Å; L66-V147 HydrophobicContact CG-CG2 4.14Å; L66-V147 WeakPolarHBondContact O-CG2 3.27Å; L67-V147 HydrophobicContact CD2-CB 4.46Å; L67-V147 HydrophobicContact CD2-CG1 4.31Å; L67-V147 HydrophobicContact CD2-CG2 4.38Å; Y71-V147 HydrophobicContact CD2-CG2 4.1Å; S72-V147 PolarHBondContact O-N 3.15Å; V73-V147 WeakPolarHBondContact CA-O 3.29Å; V73-V147 HydrophobicContact CG1-CB 4.44Å; V73-V147 HydrophobicContact CG2-CB 4.32Å; V74-V147 PolarHBondContact N-O 2.82Å; V147-L149 HydrophobicContact CG1-CD2 3.54Å; V147-L149 HydrophobicContact CG1-CG 3.96Å; V147-S187 VanDerWaalsContact CA-O 3.31Å; V147-S187 WeakPolarHBondContact CA-O 3.5Å
148	I	98.9	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.4	162.7	-63.6	164.6	0	0	0	107.7	V74 L174 L177 A178 I181 L182 S187 L188 L189	V74-I148 HydrophobicContact CB-CG1 4.44Å; V74-I148 CarbonylContact O-C 3.54Å; V74-I148 WeakPolarHBondContact O-CA 3.36Å; I148-L174 HydrophobicContact CG2-CD2 4.26Å; I148-L177 HydrophobicContact CD1-CD2 4.41Å; I148-L177 HydrophobicContact CD1-CG 4.24Å; I148-A178 HydrophobicContact CD1-CB 4Å; I148-I181 HydrophobicContact CD1-CD1 4.14Å; I148-I181 HydrophobicContact CD1-CG1 4.08Å; I148-I181 HydrophobicContact CG1-CD1 4.26Å; I148-L182 HydrophobicContact CD1-CB 4.21Å; I148-L182 HydrophobicContact CD1-CD1 4.21Å; I148-L182 HydrophobicContact CG1-CD1 4.16Å; I148-S187 PolarHBondContact N-O 2.81Å; I148-L188 HydrophobicContact CB-CD1 3.71Å; I148-L188 HydrophobicContact CG2-CD1 3.52Å; I148-L188 CarbonylContact O-C 3.54Å; I148-L188 WeakPolarHBondContact O-CA 3.37Å; I148-L189 PolarHBondContact O-N 3.48Å
149	L	98.9	Very high	95.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.2	175.4	-56.1	176.4	0	0	0	108.9	L57 L66 V73 V74 C76 W83 V147 L189	L57-L149 HydrophobicContact CD1-CD1 4.36Å; L57-L149 HydrophobicContact CD1-CD2 4.09Å; L57-L149 HydrophobicContact CD2-CD1 3.72Å; L66-L149 HydrophobicContact CD2-CD2 3.59Å; V73-L149 HydrophobicContact CG1-CD1 3.61Å; V73-L149 HydrophobicContact CG1-CG 3.92Å; V74-L149 PolarHBondContact O-N 3.35Å; C76-L149 WeakPolarHBondContact CB-O 3.28Å; C76-L149 PolarHBondContact N-O 2.83Å; W83-L149 HydrophobicContact CE3-CB 3.82Å; W83-L149 HydrophobicContact CE3-CD1 4.36Å; W83-L149 HydrophobicContact CZ3-CB 3.97Å; V147-L149 HydrophobicContact CG1-CD2 3.54Å; V147-L149 HydrophobicContact CG1-CG 3.96Å; L149-L189 CarbonylContact C-O 3.29Å; L149-L189 WeakPolarHBondContact CA-O 3.37Å; L149-L189 HydrophobicContact CD2-CB 3.95Å; L149-L189 HydrophobicContact CD2-CD2 4.08Å
150	S	98.5	Very high	95.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	117.2	172	172.7	0	0	0	0	111.7	C76 M152 L189 K191	C76-S150 WeakPolarHBondContact O-CA 3.39Å; S150-M152 WeakPolarHBondContact OG-CE 3.32Å; S150-M152 PolarHBondContact OG-N 2.85Å; S150-L189 PolarHBondContact N-O 2.66Å; S150-K191 PolarHBondContact O-N 3.2Å
151	D	96.9	Very high	95.2	Very high	23 Å²	23	67.1 Å²	67.1	12%	0.123	35%	0.354	C	S	.	.			trans	-109.2	28.1	164	-159.5	27.2	0	0	0	110.7	S53 K56 C76 W83 K191 Y228	S53-D151 WeakPolarHBondContact CB-OD2 3.48Å; K56-D151 IonicContact NZ-OD1 3.41Å; K56-D151 IonicContact NZ-OD2 3.7Å; C76-D151 PolarHBondContact O-N 2.89Å; W83-D151 HydrophobicContact CD2-CB 4Å; W83-D151 HydrophobicContact CE3-CB 4.13Å; W83-D151 HydrophobicContact CH2-CB 4.18Å; W83-D151 HydrophobicContact CZ2-CB 3.99Å; W83-D151 HydrophobicContact CZ3-CB 4.23Å; D151-K191 WeakPolarHBondContact O-CE 3.18Å; D151-K191 PolarHBondContact O-NZ 3.45Å; D151-K191 VanDerWaalsContact OD1-CD 3.27Å; D151-K191 WeakPolarHBondContact OD1-CD 3.33Å; D151-K191 VanDerWaalsContact OD1-CE 3.29Å; D151-K191 WeakPolarHBondContact OD1-CE 3.35Å; D151-K191 IonicContact OD1-NZ 3.32Å; D151-K191 PolarHBondContact OD1-NZ 2.78Å; D151-K191 IonicContact OD2-NZ 3.4Å; D151-Y228 PolarHBondContact OD1-OH 3.24Å
152	M	95.3	Very high	95.1	Very high	15 Å²	15	68.7 Å²	68.7	7%	0.074	36%	0.357	C	S	.	.			trans	-59.6	143.3	176.8	-72.2	-170.8	-64.6	0	0	112.2	C76 G77 V127 S150 L167 M170 L174 K191	C76-M152 HydrophobicContact CB-CE 4.26Å; C76-M152 HydrophobicContact CB-SD 4.3Å; G77-M152 VanDerWaalsContact CA-CG 3.48Å; V127-M152 HydrophobicContact CG1-CE 4.21Å; V127-M152 HydrophobicContact CG1-SD 3.88Å; S150-M152 WeakPolarHBondContact OG-CE 3.32Å; S150-M152 PolarHBondContact OG-N 2.85Å; M152-L167 VanDerWaalsContact O-CD1 3.3Å; M152-L167 WeakPolarHBondContact O-CD1 3.42Å; M152-M170 HydrophobicContact CB-CE 3.72Å; M152-M170 HydrophobicContact CE-CB 4.22Å; M152-M170 HydrophobicContact CE-CE 4.46Å; M152-M170 HydrophobicContact CG-CE 4.11Å; M152-M170 HydrophobicContact SD-CE 3.68Å; M152-L174 HydrophobicContact CE-CD1 3.86Å; M152-L174 HydrophobicContact CE-CD2 3.77Å; M152-L174 HydrophobicContact CE-CG 3.89Å; M152-K191 WeakPolarHBondContact O-CE 3.41Å; M152-K191 PolarHBondContact O-NZ 2.98Å
153	A	93.9	Very high	95.1	Very high	49 Å²	49	57.3 Å²	57.3	41%	0.405	32%	0.315	S	S	.	.			trans	-143.2	141.7	167.8	0	0	0	0	0	109.4	W193	A153-W193 HydrophobicContact CB-CH2 4.44Å; A153-W193 HydrophobicContact CB-CZ2 4.19Å
154	P	93.8	Very high	95	Very high	21 Å²	21	57.5 Å²	57.5	14%	0.136	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-70.3	159.2	173.5	30.8	-35.2	0	0	0	110.8	A156 D163 K166 L167 M170 W193	P154-A156 PolarHBondContact O-N 2.91Å; P154-D163 WeakPolarHBondContact CG-O 3.42Å; P154-K166 HydrophobicContact CB-CB 3.94Å; P154-K166 HydrophobicContact CB-CD 4.25Å; P154-K166 HydrophobicContact CG-CB 4.07Å; P154-L167 HydrophobicContact CG-CB 4.23Å; P154-M170 HydrophobicContact CB-SD 4.32Å; P154-W193 HydrophobicContact CG-CH2 3.87Å; P154-W193 HydrophobicContact CG-CZ3 3.64Å
155	N	91.9	Very high	94.9	Very high	155 Å²	155	58.9 Å²	58.9	83%	0.829	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-59.8	126.3	165.6	-71.8	-33	0	0	0	109.2	S157	N155-S157 PolarHBondContact O-N 3.37Å
156	A	88.6	Confident	94.9	Very high	85 Å²	85	63.2 Å²	63.2	70%	0.702	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-65.2	118	-178.9	0	0	0	0	0	110.2	P154 G158 D163	P154-A156 PolarHBondContact O-N 2.91Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-D163 WeakPolarHBondContact CA-OD2 3.5Å
157	S	91.9	Very high	94.8	Very high	50 Å²	50	60.5 Å²	60.5	35%	0.35	33%	0.33	S	S	.	.			trans	-82.3	-18.1	173	65.4	0	0	0	0	112.4	N155 F159 D163	N155-S157 PolarHBondContact O-N 3.37Å; S157-F159 VanDerWaalsContact C-N 3.33Å; S157-F159 PolarHBondContact OG-N 3.19Å; S157-D163 VanDerWaalsContact CB-OD1 3.27Å; S157-D163 WeakPolarHBondContact CB-OD1 3.29Å; S157-D163 PolarHBondContact N-OD1 3.35Å; S157-D163 PolarHBondContact N-OD2 2.8Å; S157-D163 VanDerWaalsContact OG-CG 3.25Å; S157-D163 PolarHBondContact OG-OD1 2.74Å; S157-D163 PolarHBondContact OG-OD2 3.1Å
158	G	88.9	Confident	94.7	Very high	66 Å²	66	60.7 Å²	60.7	68%	0.68	33%	0.331	S	S	*	.	S	Bend	trans	94	-12.5	-172.5	0	0	0	0	0	113.2	A156 D163	A156-G158 VanDerWaalsContact C-N 3.34Å; G158-D163 PolarHBondContact N-OD2 3.18Å
159	F	92.6	Very high	94.6	Very high	140 Å²	140	64.8 Å²	64.8	61%	0.614	36%	0.356	S	S	*	.			trans	-99.2	104.4	174.5	-60.2	-80.6	0	0	0	109.7	S157 D161 M162 D163	S157-F159 VanDerWaalsContact C-N 3.33Å; S157-F159 PolarHBondContact OG-N 3.19Å; F159-D161 VanDerWaalsContact C-N 3.29Å; F159-D161 PolarHBondContact O-N 3.23Å; F159-M162 HydrophobicContact CB-CB 4.15Å; F159-M162 HydrophobicContact CB-CG 4.13Å; F159-M162 HydrophobicContact CB-SD 4.01Å; F159-M162 HydrophobicContact CD2-SD 4.32Å; F159-M162 HydrophobicContact CG-SD 4.28Å; F159-M162 PolarHBondContact O-N 2.75Å; F159-D163 WeakPolarHBondContact O-CB 3.23Å; F159-D163 PolarHBondContact O-N 3.04Å
160	R	91.6	Very high	94.6	Very high	216 Å²	216	67.3 Å²	67.3	82%	0.815	37%	0.368	S	S	*	.	H	α-helix	trans	-56.2	-41.1	-171.4	-66.7	-176.5	-177.3	178.8	1.7	113.3	D163 Q164	R160-D163 PolarHBondContact O-N 3.38Å; R160-Q164 WeakPolarHBondContact O-CB 3.43Å; R160-Q164 PolarHBondContact O-N 3.43Å
161	D	93.1	Very high	94.5	Very high	125 Å²	125	67.3 Å²	67.3	67%	0.668	37%	0.368	S	S	*	.	H	α-helix	trans	-70.1	-42.4	-176	-57.6	-21.2	0	0	0	111.2	F159 Q164 E165	F159-D161 VanDerWaalsContact C-N 3.29Å; F159-D161 PolarHBondContact O-N 3.23Å; D161-Q164 WeakPolarHBondContact O-CB 3.48Å; D161-Q164 PolarHBondContact O-N 3.03Å; D161-E165 WeakPolarHBondContact O-CB 3.48Å; D161-E165 PolarHBondContact O-N 3.45Å
162	M	94.6	Very high	94.6	Very high	95 Å²	95	68.4 Å²	68.4	47%	0.468	37%	0.374	S	S	.	.	H	α-helix	trans	-65.3	-41.1	174.5	-66.3	-177.9	72	0	0	112	F159 Q164 E165 K166	F159-M162 HydrophobicContact CB-CB 4.15Å; F159-M162 HydrophobicContact CB-CG 4.13Å; F159-M162 HydrophobicContact CB-SD 4.01Å; F159-M162 HydrophobicContact CD2-SD 4.32Å; F159-M162 HydrophobicContact CG-SD 4.28Å; F159-M162 PolarHBondContact O-N 2.75Å; M162-Q164 VanDerWaalsContact C-N 3.31Å; M162-E165 PolarHBondContact O-N 2.83Å; M162-K166 WeakPolarHBondContact O-CG 3.39Å; M162-K166 PolarHBondContact O-N 3.47Å
163	D	95.4	Very high	94.7	Very high	11 Å²	11	68.5 Å²	68.5	6%	0.059	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-38.7	177	-75.2	-10.5	0	0	0	110.3	P154 A156 S157 G158 F159 R160 L167 W193	P154-D163 WeakPolarHBondContact CG-O 3.42Å; A156-D163 WeakPolarHBondContact CA-OD2 3.5Å; S157-D163 VanDerWaalsContact CB-OD1 3.27Å; S157-D163 WeakPolarHBondContact CB-OD1 3.29Å; S157-D163 PolarHBondContact N-OD1 3.35Å; S157-D163 PolarHBondContact N-OD2 2.8Å; S157-D163 VanDerWaalsContact OG-CG 3.25Å; S157-D163 PolarHBondContact OG-OD1 2.74Å; S157-D163 PolarHBondContact OG-OD2 3.1Å; G158-D163 PolarHBondContact N-OD2 3.18Å; F159-D163 WeakPolarHBondContact O-CB 3.23Å; F159-D163 PolarHBondContact O-N 3.04Å; R160-D163 PolarHBondContact O-N 3.38Å; D163-L167 PolarHBondContact O-N 2.85Å; D163-W193 HydrophobicContact CB-CE3 4.35Å; D163-W193 HydrophobicContact CB-CZ3 3.7Å; D163-W193 WeakPolarHBondContact O-CZ3 3.26Å
164	Q	96	Very high	94.9	Very high	14 Å²	14	66.1 Å²	66.1	7%	0.065	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-50.6	172.1	-173.2	-173.7	21.6	0	0	111.5	R160 D161 M162 K166 L167 I168 W193 G195 S198	R160-Q164 WeakPolarHBondContact O-CB 3.43Å; R160-Q164 PolarHBondContact O-N 3.43Å; D161-Q164 WeakPolarHBondContact O-CB 3.48Å; D161-Q164 PolarHBondContact O-N 3.03Å; M162-Q164 VanDerWaalsContact C-N 3.31Å; Q164-K166 VanDerWaalsContact C-N 3.32Å; Q164-K166 PolarHBondContact O-N 3.47Å; Q164-L167 PolarHBondContact O-N 3.1Å; Q164-L167 VanDerWaalsContact O-N 3.11Å; Q164-I168 HydrophobicContact CG-CG1 4.3Å; Q164-I168 WeakPolarHBondContact O-CG1 3.39Å; Q164-I168 PolarHBondContact O-N 3.41Å; Q164-W193 PolarHBondContact NE2-O 3Å; Q164-G195 VanDerWaalsContact NE2-N 3.17Å; Q164-S198 PolarHBondContact NE2-OG 2.97Å
165	E	96.6	Very high	95	Very high	113 Å²	113	66.2 Å²	66.2	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-56.4	-45.9	-178.9	-174.1	-179.6	178.9	0	0	111.6	D161 M162 L167 I168 T169 L197	D161-E165 WeakPolarHBondContact O-CB 3.48Å; D161-E165 PolarHBondContact O-N 3.45Å; M162-E165 PolarHBondContact O-N 2.83Å; E165-L167 VanDerWaalsContact C-N 3.35Å; E165-L167 PolarHBondContact O-N 2.69Å; E165-I168 PolarHBondContact O-N 2.77Å; E165-T169 PolarHBondContact O-N 3.39Å; E165-T169 PolarHBondContact O-OG1 2.61Å; E165-L197 HydrophobicContact CB-CD1 4Å; E165-L197 HydrophobicContact CG-CD1 4.05Å
166	K	96.8	Very high	95.2	Very high	91 Å²	91	63.3 Å²	63.3	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-57.4	-46.4	174.9	-73.2	171.8	-176.3	171.6	0	112.1	P154 M162 Q164 I168 T169 M170	P154-K166 HydrophobicContact CB-CB 3.94Å; P154-K166 HydrophobicContact CB-CD 4.25Å; P154-K166 HydrophobicContact CG-CB 4.07Å; M162-K166 WeakPolarHBondContact O-CG 3.39Å; M162-K166 PolarHBondContact O-N 3.47Å; Q164-K166 VanDerWaalsContact C-N 3.32Å; Q164-K166 PolarHBondContact O-N 3.47Å; K166-I168 VanDerWaalsContact C-N 3.33Å; K166-I168 PolarHBondContact O-N 2.82Å; K166-T169 PolarHBondContact O-N 3.14Å; K166-M170 VanDerWaalsContact O-CG 3.27Å; K166-M170 WeakPolarHBondContact O-CG 3.24Å; K166-M170 PolarHBondContact O-N 2.94Å
167	L	97.1	Very high	95.6	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-37.6	179.5	-178	52.9	0	0	0	112	M152 P154 D163 Q164 E165 M170 C171 W193	M152-L167 VanDerWaalsContact O-CD1 3.3Å; M152-L167 WeakPolarHBondContact O-CD1 3.42Å; P154-L167 HydrophobicContact CG-CB 4.23Å; D163-L167 PolarHBondContact O-N 2.85Å; Q164-L167 PolarHBondContact O-N 3.1Å; Q164-L167 VanDerWaalsContact O-N 3.11Å; E165-L167 VanDerWaalsContact C-N 3.35Å; E165-L167 PolarHBondContact O-N 2.69Å; L167-M170 PolarHBondContact O-N 2.84Å; L167-C171 PolarHBondContact O-N 3.19Å; L167-C171 PolarHBondContact O-SG 3.17Å; L167-W193 HydrophobicContact CB-CE3 4.26Å; L167-W193 HydrophobicContact CB-CZ3 4.48Å; L167-W193 HydrophobicContact CD2-CB 4.19Å; L167-W193 HydrophobicContact CD2-CD2 3.53Å; L167-W193 HydrophobicContact CD2-CE3 3.74Å; L167-W193 HydrophobicContact CD2-CG 3.71Å; L167-W193 HydrophobicContact CD2-CZ3 4.28Å
168	I	97.5	Very high	95.9	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-45.5	174.5	-65.7	-64.7	0	0	0	110.4	Q164 E165 K166 M170 C171 L172 L197 L201	Q164-I168 HydrophobicContact CG-CG1 4.3Å; Q164-I168 WeakPolarHBondContact O-CG1 3.39Å; Q164-I168 PolarHBondContact O-N 3.41Å; E165-I168 PolarHBondContact O-N 2.77Å; K166-I168 VanDerWaalsContact C-N 3.33Å; K166-I168 PolarHBondContact O-N 2.82Å; I168-M170 VanDerWaalsContact C-N 3.33Å; I168-M170 PolarHBondContact O-N 2.9Å; I168-C171 CarbonylContact O-C 3.59Å; I168-C171 WeakPolarHBondContact O-CA 3.31Å; I168-C171 WeakPolarHBondContact O-CB 3.4Å; I168-C171 PolarHBondContact O-N 3.35Å; I168-L172 HydrophobicContact CG2-CD1 4.2Å; I168-L172 HydrophobicContact CG2-CG 4.39Å; I168-L172 WeakPolarHBondContact O-CG 3.29Å; I168-L172 PolarHBondContact O-N 2.96Å; I168-L197 HydrophobicContact CG1-CB 3.89Å; I168-L197 HydrophobicContact CG2-CB 4.49Å; I168-L201 HydrophobicContact CD1-CB 3.94Å; I168-L201 HydrophobicContact CD1-CD2 3.74Å; I168-L201 HydrophobicContact CD1-CG 4.48Å; I168-L201 HydrophobicContact CG2-CB 4.35Å
169	T	97.4	Very high	96.2	Very high	86 Å²	86	57.1 Å²	57.1	53%	0.528	27%	0.273	S	S	.	.	H	α-helix	trans	-57.9	-43.8	175.3	-60.6	0	0	0	0	112	E165 K166 C171 L172 S173	E165-T169 PolarHBondContact O-N 3.39Å; E165-T169 PolarHBondContact O-OG1 2.61Å; K166-T169 PolarHBondContact O-N 3.14Å; T169-C171 VanDerWaalsContact C-N 3.27Å; T169-C171 PolarHBondContact O-N 2.94Å; T169-L172 PolarHBondContact O-N 3.31Å; T169-S173 PolarHBondContact O-N 3.08Å; T169-S173 VanDerWaalsContact O-N 3.07Å
170	M	97.2	Very high	96.4	Very high	52 Å²	52	54.6 Å²	54.6	26%	0.256	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-32.1	174	-65.2	171.3	81.7	0	0	112.8	M152 P154 K166 L167 I168 S173	M152-M170 HydrophobicContact CB-CE 3.72Å; M152-M170 HydrophobicContact CE-CB 4.22Å; M152-M170 HydrophobicContact CE-CE 4.46Å; M152-M170 HydrophobicContact CG-CE 4.11Å; M152-M170 HydrophobicContact SD-CE 3.68Å; P154-M170 HydrophobicContact CB-SD 4.32Å; K166-M170 VanDerWaalsContact O-CG 3.27Å; K166-M170 WeakPolarHBondContact O-CG 3.24Å; K166-M170 PolarHBondContact O-N 2.94Å; L167-M170 PolarHBondContact O-N 2.84Å; I168-M170 VanDerWaalsContact C-N 3.33Å; I168-M170 PolarHBondContact O-N 2.9Å; M170-S173 PolarHBondContact O-OG 3.45Å
171	C	97.8	Very high	96.7	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-74.2	-35.7	174.9	-67.6	0	0	0	0	112.1	L167 I168 T169 S173 L174 K191 L201	L167-C171 PolarHBondContact O-N 3.19Å; L167-C171 PolarHBondContact O-SG 3.17Å; I168-C171 CarbonylContact O-C 3.59Å; I168-C171 WeakPolarHBondContact O-CA 3.31Å; I168-C171 WeakPolarHBondContact O-CB 3.4Å; I168-C171 PolarHBondContact O-N 3.35Å; T169-C171 VanDerWaalsContact C-N 3.27Å; T169-C171 PolarHBondContact O-N 2.94Å; C171-S173 VanDerWaalsContact C-N 3.34Å; C171-L174 WeakPolarHBondContact O-CB 3.06Å; C171-L174 PolarHBondContact O-N 2.85Å; C171-K191 PolarHBondContact SG-O 3.19Å; C171-L201 HydrophobicContact CB-CD1 3.66Å; C171-L201 HydrophobicContact CB-CD2 3.49Å; C171-L201 VanDerWaalsContact CB-CD2 3.49Å; C171-L201 HydrophobicContact CB-CG 4.25Å
172	L	97.7	Very high	96.9	Very high	45 Å²	45	38.6 Å²	38.6	24%	0.236	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-39.7	176	-67.7	172.7	0	0	0	111	I168 T169 L174 I175 D176 L201 K204	I168-L172 HydrophobicContact CG2-CD1 4.2Å; I168-L172 HydrophobicContact CG2-CG 4.39Å; I168-L172 WeakPolarHBondContact O-CG 3.29Å; I168-L172 PolarHBondContact O-N 2.96Å; T169-L172 PolarHBondContact O-N 3.31Å; L172-L174 PolarHBondContact O-N 3.37Å; L172-I175 HydrophobicContact CD2-CD1 4.11Å; L172-I175 WeakPolarHBondContact O-CA 3.15Å; L172-I175 VanDerWaalsContact O-CB 3.25Å; L172-I175 WeakPolarHBondContact O-CB 3.38Å; L172-I175 PolarHBondContact O-N 2.91Å; L172-D176 PolarHBondContact O-N 2.87Å; L172-L201 HydrophobicContact CD2-CD1 3.85Å; L172-L201 HydrophobicContact CG-CD1 4.31Å; L172-K204 HydrophobicContact CD2-CB 3.88Å; L172-K204 HydrophobicContact CD2-CG 3.86Å
173	S	97.8	Very high	97.1	Very high	17 Å²	17	36.6 Å²	36.6	12%	0.119	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-21.1	175.2	66.1	0	0	0	0	113.7	T169 M170 C171 I175 D176 L177	T169-S173 PolarHBondContact O-N 3.08Å; T169-S173 VanDerWaalsContact O-N 3.07Å; M170-S173 PolarHBondContact O-OG 3.45Å; C171-S173 VanDerWaalsContact C-N 3.34Å; S173-I175 VanDerWaalsContact C-N 3.27Å; S173-D176 PolarHBondContact O-N 2.91Å; S173-L177 PolarHBondContact O-N 2.69Å
174	L	98.2	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.2	-24.4	171.7	-63	170.6	0	0	0	112.4	C76 V127 I148 M152 C171 L172 L177 A178 L188 C190	C76-L174 HydrophobicContact CB-CD2 3.92Å; V127-L174 HydrophobicContact CG2-CD2 4.2Å; I148-L174 HydrophobicContact CG2-CD2 4.26Å; M152-L174 HydrophobicContact CE-CD1 3.86Å; M152-L174 HydrophobicContact CE-CD2 3.77Å; M152-L174 HydrophobicContact CE-CG 3.89Å; C171-L174 WeakPolarHBondContact O-CB 3.06Å; C171-L174 PolarHBondContact O-N 2.85Å; L172-L174 PolarHBondContact O-N 3.37Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 3.16Å; L174-L188 HydrophobicContact CB-CD1 4.15Å; L174-L188 HydrophobicContact CB-CD2 4.21Å; L174-L188 HydrophobicContact CD1-CD1 4.23Å; L174-C190 HydrophobicContact CD1-CB 3.79Å
175	I	97.3	Very high	97.2	Very high	23 Å²	23	41.2 Å²	41.2	12%	0.118	22%	0.222	C	C	.	.	H	α-helix	trans	-70	-41.4	172.9	-56.4	177.1	0	0	0	109.5	L172 S173 A178 E179 K204 L205 V208	L172-I175 HydrophobicContact CD2-CD1 4.11Å; L172-I175 WeakPolarHBondContact O-CA 3.15Å; L172-I175 VanDerWaalsContact O-CB 3.25Å; L172-I175 WeakPolarHBondContact O-CB 3.38Å; L172-I175 PolarHBondContact O-N 2.91Å; S173-I175 VanDerWaalsContact C-N 3.27Å; I175-A178 WeakPolarHBondContact O-CB 3.26Å; I175-A178 PolarHBondContact O-N 3.25Å; I175-E179 PolarHBondContact O-N 2.84Å; I175-E179 VanDerWaalsContact O-N 3.08Å; I175-K204 HydrophobicContact CD1-CB 3.83Å; I175-L205 HydrophobicContact CD1-CD2 3.92Å; I175-L205 HydrophobicContact CD1-CG 4.26Å; I175-L205 HydrophobicContact CG1-CD2 3.92Å; I175-V208 HydrophobicContact CG2-CG2 3.99Å
176	D	95.6	Very high	97.3	Very high	93 Å²	93	36.1 Å²	36.1	50%	0.497	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-45.1	174.7	-58.3	-36.7	0	0	0	111	L172 S173 A178 E179 K180	L172-D176 PolarHBondContact O-N 2.87Å; S173-D176 PolarHBondContact O-N 2.91Å; D176-A178 VanDerWaalsContact C-N 3.32Å; D176-A178 PolarHBondContact O-N 3.45Å; D176-E179 WeakPolarHBondContact O-CB 3.33Å; D176-E179 PolarHBondContact O-N 3.17Å; D176-K180 PolarHBondContact O-N 3.47Å
177	L	97.6	Very high	97.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-42.4	173.3	178.4	62.5	0	0	0	111.5	V127 L136 I148 S173 L174 E179 K180 I181	V127-L177 HydrophobicContact CG2-CD2 3.77Å; L136-L177 HydrophobicContact CD1-CD1 3.8Å; L136-L177 HydrophobicContact CD1-CD2 4.5Å; I148-L177 HydrophobicContact CD1-CD2 4.41Å; I148-L177 HydrophobicContact CD1-CG 4.24Å; S173-L177 PolarHBondContact O-N 2.69Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; L177-E179 VanDerWaalsContact C-N 3.26Å; L177-E179 PolarHBondContact O-N 3.26Å; L177-K180 PolarHBondContact O-N 2.71Å; L177-I181 HydrophobicContact CD1-CD1 3.79Å; L177-I181 HydrophobicContact CD1-CG1 3.87Å; L177-I181 HydrophobicContact CD1-CG2 4.43Å; L177-I181 HydrophobicContact CD2-CD1 4.26Å; L177-I181 HydrophobicContact CG-CD1 3.91Å; L177-I181 HydrophobicContact CG-CG1 3.99Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.28Å
178	A	97.6	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-38.4	178.2	0	0	0	0	0	112	I148 L174 I175 D176 K180 I181 L182 Y234	I148-A178 HydrophobicContact CD1-CB 4Å; L174-A178 WeakPolarHBondContact O-CB 3.42Å; L174-A178 PolarHBondContact O-N 3.16Å; I175-A178 WeakPolarHBondContact O-CB 3.26Å; I175-A178 PolarHBondContact O-N 3.25Å; D176-A178 VanDerWaalsContact C-N 3.32Å; D176-A178 PolarHBondContact O-N 3.45Å; A178-K180 PolarHBondContact O-N 3.17Å; A178-I181 PolarHBondContact O-N 3.13Å; A178-L182 HydrophobicContact CB-CB 3.92Å; A178-L182 HydrophobicContact CB-CD2 3.89Å; A178-L182 WeakPolarHBondContact O-CA 3.37Å; A178-L182 WeakPolarHBondContact O-CB 3.39Å; A178-L182 PolarHBondContact O-N 2.86Å; A178-Y234 HydrophobicContact CB-CE2 4.35Å
179	E	95.7	Very high	97.5	Very high	72 Å²	72	31.9 Å²	31.9	34%	0.336	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-34.2	173.5	-160.2	-157.5	143.7	0	0	112.8	I175 D176 L177 Y234	I175-E179 PolarHBondContact O-N 2.84Å; I175-E179 VanDerWaalsContact O-N 3.08Å; D176-E179 WeakPolarHBondContact O-CB 3.33Å; D176-E179 PolarHBondContact O-N 3.17Å; L177-E179 VanDerWaalsContact C-N 3.26Å; L177-E179 PolarHBondContact O-N 3.26Å; E179-Y234 VanDerWaalsContact CA-OH 3.23Å; E179-Y234 WeakPolarHBondContact CA-OH 3.36Å
180	K	96.2	Very high	97.6	Very high	87 Å²	87	27.9 Å²	27.9	38%	0.378	16%	0.157	S	C	.	.	H	α-helix	trans	-79.8	-38.1	-178.2	-55.9	-47.3	179.6	-163.3	0	113.4	Q137 R144 D176 L177 A178	Q137-K180 PolarHBondContact NE2-O 3.39Å; R144-K180 PolarHBondContact NH1-O 2.93Å; D176-K180 PolarHBondContact O-N 3.47Å; L177-K180 PolarHBondContact O-N 2.71Å; A178-K180 PolarHBondContact O-N 3.17Å
181	I	97.5	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-127.4	-21.3	-168.1	64.6	162.2	0	0	0	115.3	V74 L136 Q137 L140 R144 A145 I148 L177 A178	V74-I181 HydrophobicContact CB-CD1 4.31Å; V74-I181 HydrophobicContact CG1-CD1 4.49Å; V74-I181 HydrophobicContact CG2-CD1 3.73Å; L136-I181 HydrophobicContact CD1-CD1 4.34Å; Q137-I181 HydrophobicContact CG-CG2 3.73Å; L140-I181 HydrophobicContact CD1-CB 4.06Å; L140-I181 HydrophobicContact CD1-CD1 4.03Å; L140-I181 HydrophobicContact CD1-CG2 4.22Å; R144-I181 CarbonylContact C-O 3.56Å; R144-I181 VanDerWaalsContact CA-O 3.25Å; R144-I181 WeakPolarHBondContact CA-O 3.27Å; A145-I181 HydrophobicContact CB-CD1 4.13Å; A145-I181 HydrophobicContact CB-CG1 4.47Å; A145-I181 PolarHBondContact N-O 2.82Å; I148-I181 HydrophobicContact CD1-CD1 4.14Å; I148-I181 HydrophobicContact CD1-CG1 4.08Å; I148-I181 HydrophobicContact CG1-CD1 4.26Å; L177-I181 HydrophobicContact CD1-CD1 3.79Å; L177-I181 HydrophobicContact CD1-CG1 3.87Å; L177-I181 HydrophobicContact CD1-CG2 4.43Å; L177-I181 HydrophobicContact CD2-CD1 4.26Å; L177-I181 HydrophobicContact CG-CD1 3.91Å; L177-I181 HydrophobicContact CG-CG1 3.99Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.28Å; A178-I181 PolarHBondContact O-N 3.13Å
182	L	98.2	Very high	97.6	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	133.2	-173.7	-163.5	64.3	0	0	0	110.9	I148 A178 F209 Y234	I148-L182 HydrophobicContact CD1-CB 4.21Å; I148-L182 HydrophobicContact CD1-CD1 4.21Å; I148-L182 HydrophobicContact CG1-CD1 4.16Å; A178-L182 HydrophobicContact CB-CB 3.92Å; A178-L182 HydrophobicContact CB-CD2 3.89Å; A178-L182 WeakPolarHBondContact O-CA 3.37Å; A178-L182 WeakPolarHBondContact O-CB 3.39Å; A178-L182 PolarHBondContact O-N 2.86Å; L182-F209 HydrophobicContact CD2-CE1 3.72Å; L182-F209 HydrophobicContact CD2-CZ 3.75Å; L182-Y234 HydrophobicContact CB-CD1 4.05Å; L182-Y234 HydrophobicContact CB-CE1 4.34Å; L182-Y234 HydrophobicContact CB-CG 4.5Å; L182-Y234 HydrophobicContact CD2-CD1 4.14Å; L182-Y234 HydrophobicContact CD2-CD2 4.16Å; L182-Y234 HydrophobicContact CD2-CG 3.75Å; L182-Y234 HydrophobicContact CG-CD1 4.16Å; L182-Y234 HydrophobicContact CG-CG 4.23Å
183	L	97.4	Very high	97.6	Very high	52 Å²	52	26.7 Å²	26.7	27%	0.272	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	148.1	174	-71.4	170.6	0	0	0	111.2	R144 A145 G185 G186	R144-L183 HydrophobicContact CB-CD1 4.31Å; R144-L183 HydrophobicContact CB-CD2 3.5Å; R144-L183 HydrophobicContact CB-CG 3.74Å; R144-L183 HydrophobicContact CG-CD2 3.57Å; R144-L183 HydrophobicContact CG-CG 4.32Å; A145-L183 WeakPolarHBondContact O-CG 3.49Å; A145-L183 PolarHBondContact O-N 3.04Å; L183-G185 PolarHBondContact O-N 2.98Å; L183-G186 WeakPolarHBondContact O-CA 3.26Å; L183-G186 PolarHBondContact O-N 3.41Å
184	P	97.2	Very high	97.5	Very high	87 Å²	87	29.8 Å²	29.8	57%	0.565	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.9	133.2	160.6	-22.6	32.7	0	0	0	110.3	G186 Y234 K236	P184-G186 VanDerWaalsContact C-N 3.26Å; P184-G186 PolarHBondContact O-N 2.88Å; P184-Y234 WeakPolarHBondContact CA-O 3.29Å; P184-K236 HydrophobicContact CG-CB 4.22Å
185	G	97.4	Very high	97.2	Very high	35 Å²	35	31.6 Å²	31.6	36%	0.361	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84.7	-10.9	-172.9	0	0	0	0	0	115	L183 Y234	L183-G185 PolarHBondContact O-N 2.98Å; G185-Y234 PolarHBondContact N-O 2.83Å
186	G	98.3	Very high	97	Very high	6 Å²	6	36.7 Å²	36.7	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	172.7	178.2	0	0	0	0	0	113.9	H146 L183 P184 M233 Y234	H146-G186 VanDerWaalsContact O-CA 3.25Å; H146-G186 WeakPolarHBondContact O-CA 3.42Å; L183-G186 WeakPolarHBondContact O-CA 3.26Å; L183-G186 PolarHBondContact O-N 3.41Å; P184-G186 VanDerWaalsContact C-N 3.26Å; P184-G186 PolarHBondContact O-N 2.88Å; G186-M233 PolarHBondContact O-N 2.99Å; G186-Y234 PolarHBondContact O-N 2.95Å
187	S	98.8	Very high	97	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.5	-175.7	-60.1	0	0	0	0	112.7	H146 V147 I148 A231	H146-S187 PolarHBondContact O-N 2.82Å; V147-S187 VanDerWaalsContact CA-O 3.31Å; V147-S187 WeakPolarHBondContact CA-O 3.5Å; I148-S187 PolarHBondContact N-O 2.81Å; S187-A231 CarbonylContact C-O 3.58Å; S187-A231 VanDerWaalsContact CA-O 3.27Å; S187-A231 WeakPolarHBondContact CA-O 3.42Å; S187-A231 WeakPolarHBondContact CB-O 3.17Å
188	L	98.8	Very high	96.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.7	173.6	170.4	64.3	0	0	0	108.6	I148 L174 L205 F209 A231	I148-L188 HydrophobicContact CB-CD1 3.71Å; I148-L188 HydrophobicContact CG2-CD1 3.52Å; I148-L188 CarbonylContact O-C 3.54Å; I148-L188 WeakPolarHBondContact O-CA 3.37Å; L174-L188 HydrophobicContact CB-CD1 4.15Å; L174-L188 HydrophobicContact CB-CD2 4.21Å; L174-L188 HydrophobicContact CD1-CD1 4.23Å; L188-L205 HydrophobicContact CD2-CD2 3.71Å; L188-F209 HydrophobicContact CB-CE1 4.09Å; L188-F209 HydrophobicContact CB-CE2 4.28Å; L188-F209 HydrophobicContact CB-CZ 3.61Å; L188-F209 HydrophobicContact CD2-CE2 4.15Å; L188-F209 HydrophobicContact CD2-CZ 4.17Å; L188-A231 HydrophobicContact CB-CB 4.38Å; L188-A231 PolarHBondContact N-O 3.08Å; L188-A231 PolarHBondContact O-N 3.08Å
189	L	98.9	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	115.3	170.2	179.8	70.7	0	0	0	108.5	L57 I60 L66 W83 I148 L149 S150 Y228 F229 L230	L57-L189 HydrophobicContact CD1-CD2 3.81Å; I60-L189 HydrophobicContact CD1-CD1 4.34Å; I60-L189 HydrophobicContact CD1-CD2 4.08Å; I60-L189 HydrophobicContact CG2-CD1 4.1Å; I60-L189 HydrophobicContact CG2-CD2 3.84Å; L66-L189 HydrophobicContact CD2-CB 3.95Å; L66-L189 HydrophobicContact CD2-CD2 4.05Å; W83-L189 HydrophobicContact CH2-CD2 3.81Å; W83-L189 HydrophobicContact CH2-CG 4.36Å; W83-L189 HydrophobicContact CZ3-CD2 3.95Å; W83-L189 HydrophobicContact CZ3-CG 4.47Å; I148-L189 PolarHBondContact O-N 3.48Å; L149-L189 CarbonylContact C-O 3.29Å; L149-L189 WeakPolarHBondContact CA-O 3.37Å; L149-L189 HydrophobicContact CD2-CB 3.95Å; L149-L189 HydrophobicContact CD2-CD2 4.08Å; S150-L189 PolarHBondContact N-O 2.66Å; L189-Y228 HydrophobicContact CD1-CD1 4.5Å; L189-Y228 HydrophobicContact CG-CD1 4.44Å; L189-F229 WeakPolarHBondContact CA-O 3.39Å; L189-L230 HydrophobicContact CD1-CB 4.02Å; L189-L230 HydrophobicContact CD1-CD1 4.37Å
190	C	98.5	Very high	96.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.5	179.7	60.4	0	0	0	0	112.6	L174 Y228 F229	L174-C190 HydrophobicContact CD1-CB 3.79Å; C190-Y228 CarbonylContact O-C 3.55Å; C190-Y228 VanDerWaalsContact O-CA 3.26Å; C190-Y228 WeakPolarHBondContact O-CA 3.43Å; C190-F229 PolarHBondContact N-O 2.9Å; C190-F229 PolarHBondContact O-N 3.37Å
191	K	98.4	Very high	97	Very high	13 Å²	13	37 Å²	37	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	139.2	168.4	-180	171.7	57.8	-157.2	0	110.2	S150 D151 M152 C171 E226 R227 Y228	S150-K191 PolarHBondContact O-N 3.2Å; D151-K191 WeakPolarHBondContact O-CE 3.18Å; D151-K191 PolarHBondContact O-NZ 3.45Å; D151-K191 VanDerWaalsContact OD1-CD 3.27Å; D151-K191 WeakPolarHBondContact OD1-CD 3.33Å; D151-K191 VanDerWaalsContact OD1-CE 3.29Å; D151-K191 WeakPolarHBondContact OD1-CE 3.35Å; D151-K191 IonicContact OD1-NZ 3.32Å; D151-K191 PolarHBondContact OD1-NZ 2.78Å; D151-K191 IonicContact OD2-NZ 3.4Å; M152-K191 WeakPolarHBondContact O-CE 3.41Å; M152-K191 PolarHBondContact O-NZ 2.98Å; C171-K191 PolarHBondContact SG-O 3.19Å; K191-E226 HydrophobicContact CD-CG 3.66Å; K191-E226 VanDerWaalsContact CD-OE2 3.26Å; K191-E226 WeakPolarHBondContact CD-OE2 3.23Å; K191-E226 HydrophobicContact CG-CG 3.91Å; K191-R227 WeakPolarHBondContact CA-O 3.42Å; K191-Y228 HydrophobicContact CB-CD1 3.93Å; K191-Y228 HydrophobicContact CB-CE1 3.5Å; K191-Y228 VanDerWaalsContact CB-CE1 3.5Å; K191-Y228 HydrophobicContact CG-CE1 4.14Å
192	Y	97.7	Very high	97	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	168.6	164.5	72.6	-79.2	0	0	0	110.6	D194 S198 T214 R227 F229	Y192-D194 HydrophobicContact CE2-CB 4.42Å; Y192-S198 WeakPolarHBondContact CE2-OG 3.46Å; Y192-T214 HydrophobicContact CE1-CG2 4.49Å; Y192-T214 WeakPolarHBondContact OH-CG2 3.17Å; Y192-R227 HydrophobicContact CD1-CB 4.19Å; Y192-R227 WeakPolarHBondContact CD1-O 3.39Å; Y192-R227 HydrophobicContact CE1-CB 3.54Å; Y192-R227 HydrophobicContact CE2-CB 4.15Å; Y192-R227 PolarHBondContact N-O 3.26Å; Y192-R227 PolarHBondContact O-N 3.17Å; Y192-R227 VanDerWaalsContact O-O 3.05Å; Y192-F229 AromaticContact CD1-CD2 3.34Å; Y192-F229 HydrophobicContact CD1-CD2 3.34Å; Y192-F229 AromaticContact CD1-CE2 3.59Å; Y192-F229 HydrophobicContact CD1-CE2 3.59Å; Y192-F229 HydrophobicContact CD1-CG 4.02Å; Y192-F229 HydrophobicContact CD1-CZ 4.43Å; Y192-F229 HydrophobicContact CD2-CE2 4.05Å; Y192-F229 HydrophobicContact CE1-CD1 4.08Å; Y192-F229 AromaticContact CE1-CD2 3.34Å; Y192-F229 HydrophobicContact CE1-CD2 3.34Å; Y192-F229 HydrophobicContact CE1-CE1 4.11Å; Y192-F229 AromaticContact CE1-CE2 3.36Å; Y192-F229 HydrophobicContact CE1-CE2 3.36Å; Y192-F229 AromaticContact CE1-CG 3.71Å; Y192-F229 HydrophobicContact CE1-CG 3.71Å; Y192-F229 AromaticContact CE1-CZ 3.76Å; Y192-F229 HydrophobicContact CE1-CZ 3.76Å; Y192-F229 AromaticContact CE2-CE2 3.87Å; Y192-F229 HydrophobicContact CE2-CE2 3.87Å; Y192-F229 HydrophobicContact CE2-CZ 4.12Å; Y192-F229 HydrophobicContact CG-CD2 4.01Å; Y192-F229 AromaticContact CG-CE2 3.92Å; Y192-F229 HydrophobicContact CG-CE2 3.92Å; Y192-F229 AromaticContact CZ-CE2 3.5Å; Y192-F229 VanDerWaalsContact CZ-CE2 3.5Å; Y192-F229 AromaticContact CZ-CZ 3.57Å
193	W	96.7	Very high	97	Very high	55 Å²	55	44.8 Å²	44.8	21%	0.208	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.6	167.2	-68.2	-34.4	0	0	0	109.7	A153 P154 D163 Q164 L167 S198 A225	A153-W193 HydrophobicContact CB-CH2 4.44Å; A153-W193 HydrophobicContact CB-CZ2 4.19Å; P154-W193 HydrophobicContact CG-CH2 3.87Å; P154-W193 HydrophobicContact CG-CZ3 3.64Å; D163-W193 HydrophobicContact CB-CE3 4.35Å; D163-W193 HydrophobicContact CB-CZ3 3.7Å; D163-W193 WeakPolarHBondContact O-CZ3 3.26Å; Q164-W193 PolarHBondContact NE2-O 3Å; L167-W193 HydrophobicContact CB-CE3 4.26Å; L167-W193 HydrophobicContact CB-CZ3 4.48Å; L167-W193 HydrophobicContact CD2-CB 4.19Å; L167-W193 HydrophobicContact CD2-CD2 3.53Å; L167-W193 HydrophobicContact CD2-CE3 3.74Å; L167-W193 HydrophobicContact CD2-CG 3.71Å; L167-W193 HydrophobicContact CD2-CZ3 4.28Å; W193-S198 PolarHBondContact O-OG 3.07Å; W193-A225 WeakPolarHBondContact CA-O 3.37Å; W193-A225 HydrophobicContact CB-CB 4.4Å
194	D	95	Very high	97	Very high	83 Å²	83	47.2 Å²	47.2	44%	0.444	26%	0.259	S	S	.	.			trans	-63.8	135.4	179.7	-154.1	25	0	0	0	110.9	Y192 S198 A225 R227	Y192-D194 HydrophobicContact CE2-CB 4.42Å; D194-S198 WeakPolarHBondContact CA-OG 3.26Å; D194-A225 PolarHBondContact N-O 3.4Å; D194-R227 HydrophobicContact CB-CG 4.21Å
195	G	93.4	Very high	97.1	Very high	38 Å²	38	43 Å²	43	39%	0.392	23%	0.232	S	C	.	.	S	Bend	trans	163.3	-158	-179.2	0	0	0	0	0	112.2	Q164 L197 S198	Q164-G195 VanDerWaalsContact NE2-N 3.17Å; G195-L197 VanDerWaalsContact C-N 3.33Å; G195-L197 PolarHBondContact O-N 2.85Å; G195-S198 PolarHBondContact N-OG 3.36Å; G195-S198 WeakPolarHBondContact O-CB 3.27Å; G195-S198 PolarHBondContact O-N 3.38Å; G195-S198 PolarHBondContact O-OG 3.32Å
196	V	92.5	Very high	97.1	Very high	129 Å²	129	43.8 Å²	43.8	78%	0.782	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-39	-166.7	-176.8	0	0	0	0	112.9
197	L	95.2	Very high	97	Very high	62 Å²	62	47.1 Å²	47.1	33%	0.325	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.1	-175	-64.1	177.7	0	0	0	114.3	E165 I168 G195 H199 H200 L201	E165-L197 HydrophobicContact CB-CD1 4Å; E165-L197 HydrophobicContact CG-CD1 4.05Å; I168-L197 HydrophobicContact CG1-CB 3.89Å; I168-L197 HydrophobicContact CG2-CB 4.49Å; G195-L197 VanDerWaalsContact C-N 3.33Å; G195-L197 PolarHBondContact O-N 2.85Å; L197-H199 VanDerWaalsContact C-N 3.32Å; L197-H199 PolarHBondContact O-N 2.78Å; L197-H200 WeakPolarHBondContact O-CB 3.07Å; L197-H200 PolarHBondContact O-N 3.49Å; L197-L201 PolarHBondContact O-N 3.36Å
198	S	95.8	Very high	97	Very high	7 Å²	7	47.7 Å²	47.7	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-36	-176.9	-58.3	0	0	0	0	112.9	Q164 Y192 W193 D194 G195 L201 Q202	Q164-S198 PolarHBondContact NE2-OG 2.97Å; Y192-S198 WeakPolarHBondContact CE2-OG 3.46Å; W193-S198 PolarHBondContact O-OG 3.07Å; D194-S198 WeakPolarHBondContact CA-OG 3.26Å; G195-S198 PolarHBondContact N-OG 3.36Å; G195-S198 WeakPolarHBondContact O-CB 3.27Å; G195-S198 PolarHBondContact O-N 3.38Å; G195-S198 PolarHBondContact O-OG 3.32Å; S198-L201 PolarHBondContact O-N 3.43Å; S198-Q202 PolarHBondContact O-N 2.89Å; S198-Q202 VanDerWaalsContact O-N 3.08Å
199	H	96.9	Very high	96.9	Very high	114 Å²	114	47.8 Å²	47.8	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-63.9	-41.2	177.2	-169.4	-96.2	0	0	0	111.8	L197 L201 Q202 E203	L197-H199 VanDerWaalsContact C-N 3.32Å; L197-H199 PolarHBondContact O-N 2.78Å; H199-L201 VanDerWaalsContact C-N 3.35Å; H199-L201 PolarHBondContact O-N 2.95Å; H199-Q202 WeakPolarHBondContact O-CB 2.8Å; H199-Q202 PolarHBondContact O-N 3.24Å; H199-Q202 VanDerWaalsContact O-N 3.11Å; H199-E203 IonicContact CE1-OE1 3.55Å; H199-E203 PolarHBondContact CE1-OE1 3.32Å; H199-E203 IonicContact ND1-OE1 2.82Å; H199-E203 PolarHBondContact ND1-OE1 3.47Å; H199-E203 VanDerWaalsContact ND1-OE1 3.08Å; H199-E203 WeakPolarHBondContact O-CG 3.36Å; H199-E203 PolarHBondContact O-N 3.04Å
200	H	97.1	Very high	96.9	Very high	77 Å²	77	51.3 Å²	51.3	36%	0.356	28%	0.283	S	S	.	.	H	α-helix	trans	-59.4	-45.5	178.1	-178.5	63.6	0	0	0	111.9	L197 Q202 E203 K204	L197-H200 WeakPolarHBondContact O-CB 3.07Å; L197-H200 PolarHBondContact O-N 3.49Å; H200-Q202 VanDerWaalsContact C-N 3.33Å; H200-Q202 PolarHBondContact O-N 3.13Å; H200-E203 PolarHBondContact O-N 3.21Å; H200-K204 WeakPolarHBondContact O-CG 3.49Å; H200-K204 PolarHBondContact O-N 3.05Å; H200-K204 VanDerWaalsContact O-N 3.09Å
201	L	97.6	Very high	96.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-41.6	174.9	177.2	60.6	0	0	0	111.6	I168 C171 L172 L197 S198 H199 E203 K204 L205 F229	I168-L201 HydrophobicContact CD1-CB 3.94Å; I168-L201 HydrophobicContact CD1-CD2 3.74Å; I168-L201 HydrophobicContact CD1-CG 4.48Å; I168-L201 HydrophobicContact CG2-CB 4.35Å; C171-L201 HydrophobicContact CB-CD1 3.66Å; C171-L201 HydrophobicContact CB-CD2 3.49Å; C171-L201 VanDerWaalsContact CB-CD2 3.49Å; C171-L201 HydrophobicContact CB-CG 4.25Å; L172-L201 HydrophobicContact CD2-CD1 3.85Å; L172-L201 HydrophobicContact CG-CD1 4.31Å; L197-L201 PolarHBondContact O-N 3.36Å; S198-L201 PolarHBondContact O-N 3.43Å; H199-L201 VanDerWaalsContact C-N 3.35Å; H199-L201 PolarHBondContact O-N 2.95Å; L201-E203 PolarHBondContact O-N 3.23Å; L201-K204 PolarHBondContact O-N 3.12Å; L201-L205 HydrophobicContact CD1-CD1 4.24Å; L201-L205 HydrophobicContact CD1-CG 4.25Å; L201-L205 HydrophobicContact CG-CD1 4.07Å; L201-L205 WeakPolarHBondContact O-CG 3.36Å; L201-L205 PolarHBondContact O-N 3.45Å; L201-F229 HydrophobicContact CB-CE2 4.44Å; L201-F229 HydrophobicContact CD2-CD2 3.89Å; L201-F229 HydrophobicContact CD2-CE2 4.02Å; L201-F229 HydrophobicContact CG-CD2 4.18Å; L201-F229 HydrophobicContact CG-CE2 4.19Å
202	Q	98.3	Very high	96.9	Very high	66 Å²	66	53.6 Å²	53.6	31%	0.308	30%	0.299	S	S	.	.	H	α-helix	trans	-62.1	-42.5	178	-171.9	174.7	-0.4	0	0	112.4	S198 H199 H200 L205 S206 V212 F229	S198-Q202 PolarHBondContact O-N 2.89Å; S198-Q202 VanDerWaalsContact O-N 3.08Å; H199-Q202 WeakPolarHBondContact O-CB 2.8Å; H199-Q202 PolarHBondContact O-N 3.24Å; H199-Q202 VanDerWaalsContact O-N 3.11Å; H200-Q202 VanDerWaalsContact C-N 3.33Å; H200-Q202 PolarHBondContact O-N 3.13Å; Q202-L205 PolarHBondContact O-N 2.86Å; Q202-S206 VanDerWaalsContact O-CB 3.26Å; Q202-S206 WeakPolarHBondContact O-CB 3.3Å; Q202-S206 PolarHBondContact O-N 2.98Å; Q202-S206 PolarHBondContact O-OG 3.11Å; Q202-V212 HydrophobicContact CG-CG1 4.14Å; Q202-F229 HydrophobicContact CB-CE1 3.94Å; Q202-F229 HydrophobicContact CB-CE2 4.37Å; Q202-F229 HydrophobicContact CB-CZ 3.68Å; Q202-F229 HydrophobicContact CG-CE1 3.89Å; Q202-F229 HydrophobicContact CG-CZ 4.16Å
203	E	97.9	Very high	96.9	Very high	102 Å²	102	60.4 Å²	60.4	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-46.3	175.4	-72.2	174.3	159.5	0	0	111.3	H199 H200 L201 L205 S206 S207	H199-E203 IonicContact CE1-OE1 3.55Å; H199-E203 PolarHBondContact CE1-OE1 3.32Å; H199-E203 IonicContact ND1-OE1 2.82Å; H199-E203 PolarHBondContact ND1-OE1 3.47Å; H199-E203 VanDerWaalsContact ND1-OE1 3.08Å; H199-E203 WeakPolarHBondContact O-CG 3.36Å; H199-E203 PolarHBondContact O-N 3.04Å; H200-E203 PolarHBondContact O-N 3.21Å; L201-E203 PolarHBondContact O-N 3.23Å; E203-L205 PolarHBondContact O-N 3.13Å; E203-S206 CarbonylContact O-C 3.58Å; E203-S206 PolarHBondContact O-N 3.46Å; E203-S206 VanDerWaalsContact O-N 3.13Å; E203-S207 PolarHBondContact O-N 3.08Å
204	K	97.7	Very high	97	Very high	102 Å²	102	60.5 Å²	60.5	44%	0.443	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-39.6	177.6	-69.3	-67.9	-176.3	179.3	0	112.4	L172 I175 H200 L201 S207	L172-K204 HydrophobicContact CD2-CB 3.88Å; L172-K204 HydrophobicContact CD2-CG 3.86Å; I175-K204 HydrophobicContact CD1-CB 3.83Å; H200-K204 WeakPolarHBondContact O-CG 3.49Å; H200-K204 PolarHBondContact O-N 3.05Å; H200-K204 VanDerWaalsContact O-N 3.09Å; L201-K204 PolarHBondContact O-N 3.12Å; K204-S207 PolarHBondContact O-OG 3.34Å
205	L	98.1	Very high	97.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-66.4	-41.6	172.1	-70.1	169.5	0	0	0	111.1	I175 L188 L201 Q202 E203 S207 V208 F209 V212 F229 A231	I175-L205 HydrophobicContact CD1-CD2 3.92Å; I175-L205 HydrophobicContact CD1-CG 4.26Å; I175-L205 HydrophobicContact CG1-CD2 3.92Å; L188-L205 HydrophobicContact CD2-CD2 3.71Å; L201-L205 HydrophobicContact CD1-CD1 4.24Å; L201-L205 HydrophobicContact CD1-CG 4.25Å; L201-L205 HydrophobicContact CG-CD1 4.07Å; L201-L205 WeakPolarHBondContact O-CG 3.36Å; L201-L205 PolarHBondContact O-N 3.45Å; Q202-L205 PolarHBondContact O-N 2.86Å; E203-L205 PolarHBondContact O-N 3.13Å; L205-S207 PolarHBondContact O-N 3.31Å; L205-V208 PolarHBondContact O-N 3.18Å; L205-V208 VanDerWaalsContact O-N 3.17Å; L205-F209 HydrophobicContact CB-CD2 4.47Å; L205-F209 HydrophobicContact CD2-CD2 4.1Å; L205-F209 HydrophobicContact CD2-CE2 3.94Å; L205-F209 WeakPolarHBondContact O-CB 3.39Å; L205-F209 WeakPolarHBondContact O-CD2 3.46Å; L205-F209 PolarHBondContact O-N 3.33Å; L205-V212 HydrophobicContact CB-CG1 4.17Å; L205-V212 HydrophobicContact CB-CG2 3.74Å; L205-V212 HydrophobicContact CD1-CG1 4.23Å; L205-F229 HydrophobicContact CD1-CB 3.73Å; L205-F229 HydrophobicContact CD1-CD2 3.96Å; L205-F229 HydrophobicContact CD1-CG 3.92Å; L205-A231 HydrophobicContact CD2-CB 4.24Å
206	S	97.8	Very high	97.3	Very high	50 Å²	50	58.5 Å²	58.5	35%	0.35	31%	0.309	S	S	.	.	H	α-helix	trans	-70.9	-15.6	-177	-57.3	0	0	0	0	113.4	Q202 E203 R235	Q202-S206 VanDerWaalsContact O-CB 3.26Å; Q202-S206 WeakPolarHBondContact O-CB 3.3Å; Q202-S206 PolarHBondContact O-N 2.98Å; Q202-S206 PolarHBondContact O-OG 3.11Å; E203-S206 CarbonylContact O-C 3.58Å; E203-S206 PolarHBondContact O-N 3.46Å; E203-S206 VanDerWaalsContact O-N 3.13Å; S206-R235 PolarHBondContact O-NH2 3.25Å
207	S	96.8	Very high	97.6	Very high	76 Å²	76	52.8 Å²	52.8	53%	0.531	28%	0.275	S	S	.	.	H	α-helix	trans	-76.3	-27.7	172.6	70.9	0	0	0	0	112.7	E203 K204 L205 R235	E203-S207 PolarHBondContact O-N 3.08Å; K204-S207 PolarHBondContact O-OG 3.34Å; L205-S207 PolarHBondContact O-N 3.31Å; S207-R235 PolarHBondContact O-NH2 2.87Å
208	V	97.4	Very high	97.6	Very high	21 Å²	21	56.1 Å²	56.1	13%	0.127	29%	0.292	C	S	.	.	H	α-helix	trans	-116.3	-12.2	-175.5	-58.4	0	0	0	0	114.4	I175 L205 Y234 R235 P237	I175-V208 HydrophobicContact CG2-CG2 3.99Å; L205-V208 PolarHBondContact O-N 3.18Å; L205-V208 VanDerWaalsContact O-N 3.17Å; V208-Y234 HydrophobicContact CB-CD2 4.47Å; V208-Y234 HydrophobicContact CB-CE2 4.03Å; V208-Y234 HydrophobicContact CG2-CE2 4.19Å; V208-R235 WeakPolarHBondContact O-CA 3.27Å; V208-R235 WeakPolarHBondContact O-CB 3.38Å; V208-R235 PolarHBondContact O-N 3.23Å; V208-P237 HydrophobicContact CG1-CG 4.47Å
209	F	98.3	Very high	97.6	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.3	173.6	-68.4	-88.8	0	0	0	110.4	L182 L188 L205 S211 V212 A231 R232 Y234 R235	L182-F209 HydrophobicContact CD2-CE1 3.72Å; L182-F209 HydrophobicContact CD2-CZ 3.75Å; L188-F209 HydrophobicContact CB-CE1 4.09Å; L188-F209 HydrophobicContact CB-CE2 4.28Å; L188-F209 HydrophobicContact CB-CZ 3.61Å; L188-F209 HydrophobicContact CD2-CE2 4.15Å; L188-F209 HydrophobicContact CD2-CZ 4.17Å; L205-F209 HydrophobicContact CB-CD2 4.47Å; L205-F209 HydrophobicContact CD2-CD2 4.1Å; L205-F209 HydrophobicContact CD2-CE2 3.94Å; L205-F209 WeakPolarHBondContact O-CB 3.39Å; L205-F209 WeakPolarHBondContact O-CD2 3.46Å; L205-F209 PolarHBondContact O-N 3.33Å; F209-S211 VanDerWaalsContact C-N 3.34Å; F209-V212 HydrophobicContact CB-CG2 4.2Å; F209-A231 HydrophobicContact CB-CB 3.96Å; F209-A231 HydrophobicContact CD1-CB 3.81Å; F209-A231 HydrophobicContact CD2-CB 3.61Å; F209-A231 HydrophobicContact CE1-CB 4.16Å; F209-A231 HydrophobicContact CE2-CB 4.02Å; F209-A231 HydrophobicContact CG-CB 3.52Å; F209-A231 HydrophobicContact CZ-CB 4.28Å; F209-R232 WeakPolarHBondContact CB-O 3.47Å; F209-Y234 HydrophobicContact CD1-CD2 4.16Å; F209-Y234 AromaticContact CE1-CD2 3.74Å; F209-Y234 HydrophobicContact CE1-CD2 3.74Å; F209-Y234 HydrophobicContact CE1-CG 4.08Å; F209-Y234 HydrophobicContact CE2-CD2 4.1Å; F209-Y234 AromaticContact CZ-CD2 3.68Å; F209-Y234 HydrophobicContact CZ-CD2 3.68Å; F209-Y234 HydrophobicContact CZ-CE2 4.45Å; F209-Y234 HydrophobicContact CZ-CG 4.37Å; F209-R235 PolarHBondContact O-NH2 3.49Å
210	S	97.9	Very high	97.5	Very high	75 Å²	75	50.6 Å²	50.6	52%	0.524	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-20.7	179.5	-46.6	0	0	0	0	113	R232 M233 R235	S210-R232 PolarHBondContact N-O 3.28Å; S210-R232 VanDerWaalsContact N-O 3.15Å; S210-M233 PolarHBondContact N-O 2.6Å; S210-M233 VanDerWaalsContact N-O 3.16Å; S210-M233 PolarHBondContact OG-O 2.94Å; S210-R235 WeakPolarHBondContact OG-CD 3.25Å
211	S	97.9	Very high	97.3	Very high	40 Å²	40	50 Å²	50	28%	0.28	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	129.6	177.4	-172.8	0	0	0	0	110.4	F209 A231 R232	F209-S211 VanDerWaalsContact C-N 3.34Å; S211-A231 CarbonylContact O-C 3.52Å; S211-A231 VanDerWaalsContact O-CA 3.31Å; S211-A231 WeakPolarHBondContact O-CA 3.3Å; S211-R232 PolarHBondContact N-O 3.36Å; S211-R232 PolarHBondContact O-N 3.26Å
212	V	98.4	Very high	96.9	Very high	22 Å²	22	60 Å²	60	13%	0.133	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125	174.6	-176.3	0	0	0	0	108.3	Q202 L205 F209 F229 L230 A231	Q202-V212 HydrophobicContact CG-CG1 4.14Å; L205-V212 HydrophobicContact CB-CG1 4.17Å; L205-V212 HydrophobicContact CB-CG2 3.74Å; L205-V212 HydrophobicContact CD1-CG1 4.23Å; F209-V212 HydrophobicContact CB-CG2 4.2Å; V212-F229 HydrophobicContact CG1-CB 4.34Å; V212-F229 HydrophobicContact CG1-CD1 3.69Å; V212-F229 HydrophobicContact CG1-CE1 4.31Å; V212-F229 HydrophobicContact CG1-CG 4.23Å; V212-L230 WeakPolarHBondContact CA-O 3.34Å; V212-A231 HydrophobicContact CG2-CB 4.11Å
213	R	98.3	Very high	96.5	Very high	147 Å²	147	62 Å²	62	56%	0.555	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.5	-178.8	-64.1	-178.9	-174.3	-108.3	2.3	110.9	F229 L230	R213-F229 CarbonylContact O-C 3.56Å; R213-F229 WeakPolarHBondContact O-CA 3.27Å; R213-L230 PolarHBondContact N-O 3.41Å; R213-L230 PolarHBondContact O-N 3.42Å
214	T	98.4	Very high	96.2	Very high	57 Å²	57	59.1 Å²	59.1	35%	0.35	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133.4	171.1	-58.3	0	0	0	0	110.7	Y192 R227 Y228 F229	Y192-T214 HydrophobicContact CE1-CG2 4.49Å; Y192-T214 WeakPolarHBondContact OH-CG2 3.17Å; T214-R227 HydrophobicContact CG2-CB 4.27Å; T214-Y228 CarbonylContact C-O 3.6Å; T214-Y228 WeakPolarHBondContact CA-O 3.32Å; T214-F229 WeakPolarHBondContact OG1-CE1 3.48Å
215	I	98.3	Very high	96	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140	179.2	-54.9	164.8	0	0	0	109.7	I60 F64 Y228 L230	I60-I215 HydrophobicContact CD1-CG2 4.49Å; I60-I215 HydrophobicContact CG1-CG2 4.01Å; I60-I215 HydrophobicContact CG2-CD1 4.14Å; F64-I215 HydrophobicContact CD2-CD1 3.69Å; F64-I215 HydrophobicContact CE2-CD1 3.31Å; F64-I215 HydrophobicContact CE2-CG1 3.77Å; F64-I215 HydrophobicContact CE2-CG2 4.24Å; F64-I215 HydrophobicContact CZ-CD1 3.89Å; F64-I215 HydrophobicContact CZ-CG1 4.03Å; I215-Y228 PolarHBondContact N-O 3.35Å; I215-Y228 PolarHBondContact O-N 3.09Å; I215-L230 HydrophobicContact CD1-CB 3.45Å; I215-L230 VanDerWaalsContact CD1-CB 3.45Å; I215-L230 HydrophobicContact CD1-CD2 3.8Å; I215-L230 HydrophobicContact CD1-CG 4.26Å; I215-L230 HydrophobicContact CG1-CB 4.42Å
216	K	97.6	Very high	95.9	Very high	61 Å²	61	57.6 Å²	57.6	27%	0.265	31%	0.312	S	S	.	.			trans	-126.2	100.9	168.5	180	69.1	169.9	177.7	0	107.1	S220 R221 S224 E226 R227	K216-S220 PolarHBondContact NZ-OG 2.94Å; K216-R221 PolarHBondContact NZ-O 3.38Å; K216-R221 VanDerWaalsContact NZ-O 3.1Å; K216-S224 PolarHBondContact NZ-O 2.9Å; K216-E226 WeakPolarHBondContact CD-O 3.47Å; K216-E226 WeakPolarHBondContact CE-O 3.46Å; K216-E226 PolarHBondContact NZ-O 2.76Å; K216-R227 HydrophobicContact CD-CG 4.47Å
217	P	97.3	Very high	95.9	Very high	9 Å²	9	59.1 Å²	59.1	6%	0.058	31%	0.31	C	S	.	.			trans	-68.8	153.8	176.7	26.4	-30.2	0	0	0	110.5	K56 E59 I60 A219 S220 Y228	K56-P217 HydrophobicContact CB-CB 4.4Å; K56-P217 HydrophobicContact CB-CG 3.89Å; K56-P217 HydrophobicContact CG-CG 4.12Å; E59-P217 HydrophobicContact CB-CB 4.33Å; E59-P217 WeakPolarHBondContact OE2-CB 3.24Å; I60-P217 HydrophobicContact CD1-CG 4.19Å; I60-P217 HydrophobicContact CG1-CB 4.34Å; I60-P217 HydrophobicContact CG1-CG 4.49Å; P217-A219 PolarHBondContact O-N 3.21Å; P217-S220 VanDerWaalsContact O-CB 3.24Å; P217-S220 WeakPolarHBondContact O-CB 3.42Å; P217-S220 PolarHBondContact O-N 3.37Å; P217-Y228 HydrophobicContact CG-CD2 4.1Å; P217-Y228 HydrophobicContact CG-CE2 3.95Å
218	D	96.4	Very high	96	Very high	131 Å²	131	55.5 Å²	55.5	70%	0.701	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-26.9	176.4	-71.8	-34.4	0	0	0	111.3	Y40 E59 S220	Y40-D218 WeakPolarHBondContact CE2-O 3.39Å; Y40-D218 PolarHBondContact OH-O 3.29Å; E59-D218 PolarHBondContact OE2-N 2.74Å; D218-S220 PolarHBondContact O-N 3.11Å
219	A	95.9	Very high	96.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.8	167.4	0	0	0	0	0	113.9	Y40 R52 F55 K56 E59 P217	Y40-A219 HydrophobicContact CD1-CB 3.98Å; Y40-A219 HydrophobicContact CD2-CB 4.44Å; Y40-A219 HydrophobicContact CE1-CB 3.79Å; Y40-A219 HydrophobicContact CE2-CB 4.26Å; Y40-A219 HydrophobicContact CG-CB 4.29Å; Y40-A219 PolarHBondContact OH-N 2.73Å; R52-A219 PolarHBondContact NH2-O 3.4Å; F55-A219 HydrophobicContact CB-CB 3.61Å; K56-A219 HydrophobicContact CB-CB 4.42Å; K56-A219 HydrophobicContact CG-CB 3.77Å; E59-A219 VanDerWaalsContact OE1-CB 3.3Å; E59-A219 WeakPolarHBondContact OE1-CB 3.47Å; E59-A219 PolarHBondContact OE1-N 3.39Å; E59-A219 PolarHBondContact OE2-N 3.03Å; P217-A219 PolarHBondContact O-N 3.21Å
220	S	94.4	Very high	96.1	Very high	5 Å²	5	54.5 Å²	54.5	4%	0.035	28%	0.279	C	S	.	.	S	Bend	trans	-88.1	137.8	165.8	-167.9	0	0	0	0	110.1	K216 P217 D218 K222 E226	K216-S220 PolarHBondContact NZ-OG 2.94Å; P217-S220 VanDerWaalsContact O-CB 3.24Å; P217-S220 WeakPolarHBondContact O-CB 3.42Å; P217-S220 PolarHBondContact O-N 3.37Å; D218-S220 PolarHBondContact O-N 3.11Å; S220-K222 PolarHBondContact O-N 2.92Å; S220-E226 VanDerWaalsContact CB-OE1 3.31Å; S220-E226 WeakPolarHBondContact CB-OE1 3.34Å; S220-E226 PolarHBondContact OG-OE1 3.3Å
221	R	91.8	Very high	96.1	Very high	65 Å²	65	51 Å²	51	25%	0.245	26%	0.255	C	S	.	.			trans	-66	138.9	-178.7	-64.1	-179	172.1	152.2	-1.4	110.6	D38 R52 K216 D223 S224	D38-R221 IonicContact OD2-CZ 3.75Å; D38-R221 IonicContact OD2-NE 3.64Å; D38-R221 PolarHBondContact OD2-NE 3.33Å; D38-R221 IonicContact OD2-NH2 3.21Å; D38-R221 PolarHBondContact OD2-NH2 3.05Å; R52-R221 VanDerWaalsContact NH1-NE 3.17Å; K216-R221 PolarHBondContact NZ-O 3.38Å; K216-R221 VanDerWaalsContact NZ-O 3.1Å; R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 VanDerWaalsContact CB-OD1 3.29Å; R221-D223 WeakPolarHBondContact CB-OD1 3.39Å; R221-D223 PolarHBondContact O-N 3.39Å; R221-S224 VanDerWaalsContact O-CB 3.32Å; R221-S224 WeakPolarHBondContact O-CB 3.45Å; R221-S224 PolarHBondContact O-N 3.16Å
222	K	90.4	Very high	96.2	Very high	211 Å²	211	52.9 Å²	52.9	92%	0.917	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-34	-179	-65.2	-172.3	178.7	-174.5	0	113.1	S220 S224	S220-K222 PolarHBondContact O-N 2.92Å; K222-S224 VanDerWaalsContact C-N 3.27Å; K222-S224 PolarHBondContact O-N 3.2Å
223	D	89.3	Confident	96.1	Very high	106 Å²	106	57 Å²	57	57%	0.567	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.2	177.8	64.5	-33.9	0	0	0	113.7	R34 R221	R34-D223 IonicContact CZ-OD2 2.78Å; R34-D223 IonicContact NH1-OD1 3.08Å; R34-D223 IonicContact NH1-OD2 2.9Å; R34-D223 PolarHBondContact NH1-OD2 3.21Å; R34-D223 IonicContact NH2-OD2 3.97Å; R34-D223 PolarHBondContact NH2-OD2 3.48Å; R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 VanDerWaalsContact CB-OD1 3.29Å; R221-D223 WeakPolarHBondContact CB-OD1 3.39Å; R221-D223 PolarHBondContact O-N 3.39Å
224	S	91.3	Very high	96.1	Very high	43 Å²	43	50.3 Å²	50.3	30%	0.301	25%	0.249	S	C	.	.			trans	-94.4	136.6	179.1	-178	0	0	0	0	111.7	K216 R221 K222 E226	K216-S224 PolarHBondContact NZ-O 2.9Å; R221-S224 VanDerWaalsContact O-CB 3.32Å; R221-S224 WeakPolarHBondContact O-CB 3.45Å; R221-S224 PolarHBondContact O-N 3.16Å; K222-S224 VanDerWaalsContact C-N 3.27Å; K222-S224 PolarHBondContact O-N 3.2Å; S224-E226 PolarHBondContact O-N 3.02Å; S224-E226 WeakPolarHBondContact OG-CB 3.36Å; S224-E226 PolarHBondContact OG-N 3.04Å; S224-E226 VanDerWaalsContact OG-N 3.12Å
225	A	94	Very high	96	Very high	52 Å²	52	53 Å²	53	43%	0.43	25%	0.253	S	S	.	.			trans	-69.8	-1.5	168.7	0	0	0	0	0	113.6	W193 D194 R227	W193-A225 WeakPolarHBondContact CA-O 3.37Å; W193-A225 HydrophobicContact CB-CB 4.4Å; D194-A225 PolarHBondContact N-O 3.4Å; A225-R227 PolarHBondContact O-N 3.44Å
226	E	96.4	Very high	95.1	Very high	17 Å²	17	58.1 Å²	58.1	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	126.8	177.4	178.6	-179	88.2	0	0	112.3	K56 K191 K216 S220 S224 Y228	K56-E226 WeakPolarHBondContact CE-OE1 3.31Å; K56-E226 IonicContact NZ-OE1 2.73Å; K56-E226 PolarHBondContact NZ-OE1 2.61Å; K56-E226 IonicContact NZ-OE2 2.73Å; K56-E226 PolarHBondContact NZ-OE2 2.7Å; K191-E226 HydrophobicContact CD-CG 3.66Å; K191-E226 VanDerWaalsContact CD-OE2 3.26Å; K191-E226 WeakPolarHBondContact CD-OE2 3.23Å; K191-E226 HydrophobicContact CG-CG 3.91Å; K216-E226 WeakPolarHBondContact CD-O 3.47Å; K216-E226 WeakPolarHBondContact CE-O 3.46Å; K216-E226 PolarHBondContact NZ-O 2.76Å; S220-E226 VanDerWaalsContact CB-OE1 3.31Å; S220-E226 WeakPolarHBondContact CB-OE1 3.34Å; S220-E226 PolarHBondContact OG-OE1 3.3Å; S224-E226 PolarHBondContact O-N 3.02Å; S224-E226 WeakPolarHBondContact OG-CB 3.36Å; S224-E226 PolarHBondContact OG-N 3.04Å; S224-E226 VanDerWaalsContact OG-N 3.12Å; E226-Y228 HydrophobicContact CG-CE2 3.91Å
227	R	98	Very high	93.7	Very high	83 Å²	83	58 Å²	58	31%	0.313	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	170.5	169.8	-57.2	-170	83.5	101	2.6	108.7	K191 Y192 D194 T214 K216 A225	K191-R227 WeakPolarHBondContact CA-O 3.42Å; Y192-R227 HydrophobicContact CD1-CB 4.19Å; Y192-R227 WeakPolarHBondContact CD1-O 3.39Å; Y192-R227 HydrophobicContact CE1-CB 3.54Å; Y192-R227 HydrophobicContact CE2-CB 4.15Å; Y192-R227 PolarHBondContact N-O 3.26Å; Y192-R227 PolarHBondContact O-N 3.17Å; Y192-R227 VanDerWaalsContact O-O 3.05Å; D194-R227 HydrophobicContact CB-CG 4.21Å; T214-R227 HydrophobicContact CG2-CB 4.27Å; K216-R227 HydrophobicContact CD-CG 4.47Å; A225-R227 PolarHBondContact O-N 3.44Å
228	Y	98.7	Very high	92	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.6	178.5	-66	-94.6	0	0	0	110.3	K56 I60 W83 D151 L189 C190 K191 T214 I215 P217 E226	K56-Y228 HydrophobicContact CD-CE2 4.09Å; K56-Y228 WeakPolarHBondContact CD-OH 3.38Å; K56-Y228 PolarHBondContact NZ-OH 3.19Å; I60-Y228 HydrophobicContact CD1-CD1 4.44Å; I60-Y228 HydrophobicContact CD1-CD2 4.15Å; I60-Y228 HydrophobicContact CD1-CG 4.06Å; W83-Y228 AromaticContact CH2-CD1 3.88Å; W83-Y228 HydrophobicContact CH2-CD1 3.88Å; W83-Y228 AromaticContact CH2-CE1 3.38Å; W83-Y228 HydrophobicContact CH2-CE1 3.38Å; W83-Y228 HydrophobicContact CZ2-CD1 4.44Å; W83-Y228 AromaticContact CZ2-CE1 3.61Å; W83-Y228 HydrophobicContact CZ2-CE1 3.61Å; D151-Y228 PolarHBondContact OD1-OH 3.24Å; L189-Y228 HydrophobicContact CD1-CD1 4.5Å; L189-Y228 HydrophobicContact CG-CD1 4.44Å; C190-Y228 CarbonylContact O-C 3.55Å; C190-Y228 VanDerWaalsContact O-CA 3.26Å; C190-Y228 WeakPolarHBondContact O-CA 3.43Å; K191-Y228 HydrophobicContact CB-CD1 3.93Å; K191-Y228 HydrophobicContact CB-CE1 3.5Å; K191-Y228 VanDerWaalsContact CB-CE1 3.5Å; K191-Y228 HydrophobicContact CG-CE1 4.14Å; T214-Y228 CarbonylContact C-O 3.6Å; T214-Y228 WeakPolarHBondContact CA-O 3.32Å; I215-Y228 PolarHBondContact N-O 3.35Å; I215-Y228 PolarHBondContact O-N 3.09Å; P217-Y228 HydrophobicContact CG-CD2 4.1Å; P217-Y228 HydrophobicContact CG-CE2 3.95Å; E226-Y228 HydrophobicContact CG-CE2 3.91Å
229	F	98.8	Very high	89.9	Confident	1 Å²	1	69.7 Å²	69.7	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.2	162.7	-76.8	-60.8	0	0	0	109	L189 C190 Y192 L201 Q202 L205 V212 R213 T214	L189-F229 WeakPolarHBondContact CA-O 3.39Å; C190-F229 PolarHBondContact N-O 2.9Å; C190-F229 PolarHBondContact O-N 3.37Å; Y192-F229 AromaticContact CD1-CD2 3.34Å; Y192-F229 HydrophobicContact CD1-CD2 3.34Å; Y192-F229 AromaticContact CD1-CE2 3.59Å; Y192-F229 HydrophobicContact CD1-CE2 3.59Å; Y192-F229 HydrophobicContact CD1-CG 4.02Å; Y192-F229 HydrophobicContact CD1-CZ 4.43Å; Y192-F229 HydrophobicContact CD2-CE2 4.05Å; Y192-F229 HydrophobicContact CE1-CD1 4.08Å; Y192-F229 AromaticContact CE1-CD2 3.34Å; Y192-F229 HydrophobicContact CE1-CD2 3.34Å; Y192-F229 HydrophobicContact CE1-CE1 4.11Å; Y192-F229 AromaticContact CE1-CE2 3.36Å; Y192-F229 HydrophobicContact CE1-CE2 3.36Å; Y192-F229 AromaticContact CE1-CG 3.71Å; Y192-F229 HydrophobicContact CE1-CG 3.71Å; Y192-F229 AromaticContact CE1-CZ 3.76Å; Y192-F229 HydrophobicContact CE1-CZ 3.76Å; Y192-F229 AromaticContact CE2-CE2 3.87Å; Y192-F229 HydrophobicContact CE2-CE2 3.87Å; Y192-F229 HydrophobicContact CE2-CZ 4.12Å; Y192-F229 HydrophobicContact CG-CD2 4.01Å; Y192-F229 AromaticContact CG-CE2 3.92Å; Y192-F229 HydrophobicContact CG-CE2 3.92Å; Y192-F229 AromaticContact CZ-CE2 3.5Å; Y192-F229 VanDerWaalsContact CZ-CE2 3.5Å; Y192-F229 AromaticContact CZ-CZ 3.57Å; L201-F229 HydrophobicContact CB-CE2 4.44Å; L201-F229 HydrophobicContact CD2-CD2 3.89Å; L201-F229 HydrophobicContact CD2-CE2 4.02Å; L201-F229 HydrophobicContact CG-CD2 4.18Å; L201-F229 HydrophobicContact CG-CE2 4.19Å; Q202-F229 HydrophobicContact CB-CE1 3.94Å; Q202-F229 HydrophobicContact CB-CE2 4.37Å; Q202-F229 HydrophobicContact CB-CZ 3.68Å; Q202-F229 HydrophobicContact CG-CE1 3.89Å; Q202-F229 HydrophobicContact CG-CZ 4.16Å; L205-F229 HydrophobicContact CD1-CB 3.73Å; L205-F229 HydrophobicContact CD1-CD2 3.96Å; L205-F229 HydrophobicContact CD1-CG 3.92Å; V212-F229 HydrophobicContact CG1-CB 4.34Å; V212-F229 HydrophobicContact CG1-CD1 3.69Å; V212-F229 HydrophobicContact CG1-CE1 4.31Å; V212-F229 HydrophobicContact CG1-CG 4.23Å; R213-F229 CarbonylContact O-C 3.56Å; R213-F229 WeakPolarHBondContact O-CA 3.27Å; T214-F229 WeakPolarHBondContact OG1-CE1 3.48Å
230	L	98.8	Very high	89.6	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	104.1	165.3	173.3	60.7	0	0	0	108.2	F64 L66 L189 V212 R213 I215 R232	F64-L230 HydrophobicContact CB-CD2 3.72Å; F64-L230 HydrophobicContact CD1-CD2 3.84Å; F64-L230 HydrophobicContact CD2-CD2 3.96Å; F64-L230 HydrophobicContact CE1-CD2 4.45Å; F64-L230 HydrophobicContact CG-CD2 3.56Å; L66-L230 HydrophobicContact CD1-CD1 4.03Å; L66-L230 HydrophobicContact CD2-CD1 4.47Å; L189-L230 HydrophobicContact CD1-CB 4.02Å; L189-L230 HydrophobicContact CD1-CD1 4.37Å; V212-L230 WeakPolarHBondContact CA-O 3.34Å; R213-L230 PolarHBondContact N-O 3.41Å; R213-L230 PolarHBondContact O-N 3.42Å; I215-L230 HydrophobicContact CD1-CB 3.45Å; I215-L230 VanDerWaalsContact CD1-CB 3.45Å; I215-L230 HydrophobicContact CD1-CD2 3.8Å; I215-L230 HydrophobicContact CD1-CG 4.26Å; I215-L230 HydrophobicContact CG1-CB 4.42Å; L230-R232 HydrophobicContact CD1-CG 3.99Å; L230-R232 HydrophobicContact CG-CG 3.97Å
231	A	98.7	Very high	89.4	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.008	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.6	175.2	0	0	0	0	0	109.5	S187 L188 L205 F209 S211 V212	S187-A231 CarbonylContact C-O 3.58Å; S187-A231 VanDerWaalsContact CA-O 3.27Å; S187-A231 WeakPolarHBondContact CA-O 3.42Å; S187-A231 WeakPolarHBondContact CB-O 3.17Å; L188-A231 HydrophobicContact CB-CB 4.38Å; L188-A231 PolarHBondContact N-O 3.08Å; L188-A231 PolarHBondContact O-N 3.08Å; L205-A231 HydrophobicContact CD2-CB 4.24Å; F209-A231 HydrophobicContact CB-CB 3.96Å; F209-A231 HydrophobicContact CD1-CB 3.81Å; F209-A231 HydrophobicContact CD2-CB 3.61Å; F209-A231 HydrophobicContact CE1-CB 4.16Å; F209-A231 HydrophobicContact CE2-CB 4.02Å; F209-A231 HydrophobicContact CG-CB 3.52Å; F209-A231 HydrophobicContact CZ-CB 4.28Å; S211-A231 CarbonylContact O-C 3.52Å; S211-A231 VanDerWaalsContact O-CA 3.31Å; S211-A231 WeakPolarHBondContact O-CA 3.3Å; V212-A231 HydrophobicContact CG2-CB 4.11Å
232	R	98.4	Very high	89.2	Confident	80 Å²	80	77.4 Å²	77.4	30%	0.302	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	160.7	-174.6	-59.6	-172.9	79.5	148.6	6.6	111.4	F64 F209 S210 S211 L230	F64-R232 PolarHBondContact O-NH1 3.45Å; F209-R232 WeakPolarHBondContact CB-O 3.47Å; S210-R232 PolarHBondContact N-O 3.28Å; S210-R232 VanDerWaalsContact N-O 3.15Å; S211-R232 PolarHBondContact N-O 3.36Å; S211-R232 PolarHBondContact O-N 3.26Å; L230-R232 HydrophobicContact CD1-CG 3.99Å; L230-R232 HydrophobicContact CG-CG 3.97Å
233	M	97.7	Very high	89.2	Confident	107 Å²	107	69.6 Å²	69.6	53%	0.527	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	59.4	63	178.7	-55.5	-59.9	-66.7	0	0	110.4	G186 S210 R235	G186-M233 PolarHBondContact O-N 2.99Å; S210-M233 PolarHBondContact N-O 2.6Å; S210-M233 VanDerWaalsContact N-O 3.16Å; S210-M233 PolarHBondContact OG-O 2.94Å; M233-R235 PolarHBondContact O-N 3.43Å
234	Y	98.3	Very high	89.2	Confident	7 Å²	7	67.3 Å²	67.3	3%	0.027	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	122.5	175.5	-177	-121.9	0	0	0	110.6	A178 E179 L182 P184 G185 G186 V208 F209 K236 P237	A178-Y234 HydrophobicContact CB-CE2 4.35Å; E179-Y234 VanDerWaalsContact CA-OH 3.23Å; E179-Y234 WeakPolarHBondContact CA-OH 3.36Å; L182-Y234 HydrophobicContact CB-CD1 4.05Å; L182-Y234 HydrophobicContact CB-CE1 4.34Å; L182-Y234 HydrophobicContact CB-CG 4.5Å; L182-Y234 HydrophobicContact CD2-CD1 4.14Å; L182-Y234 HydrophobicContact CD2-CD2 4.16Å; L182-Y234 HydrophobicContact CD2-CG 3.75Å; L182-Y234 HydrophobicContact CG-CD1 4.16Å; L182-Y234 HydrophobicContact CG-CG 4.23Å; P184-Y234 WeakPolarHBondContact CA-O 3.29Å; G185-Y234 PolarHBondContact N-O 2.83Å; G186-Y234 PolarHBondContact O-N 2.95Å; V208-Y234 HydrophobicContact CB-CD2 4.47Å; V208-Y234 HydrophobicContact CB-CE2 4.03Å; V208-Y234 HydrophobicContact CG2-CE2 4.19Å; F209-Y234 HydrophobicContact CD1-CD2 4.16Å; F209-Y234 AromaticContact CE1-CD2 3.74Å; F209-Y234 HydrophobicContact CE1-CD2 3.74Å; F209-Y234 HydrophobicContact CE1-CG 4.08Å; F209-Y234 HydrophobicContact CE2-CD2 4.1Å; F209-Y234 AromaticContact CZ-CD2 3.68Å; F209-Y234 HydrophobicContact CZ-CD2 3.68Å; F209-Y234 HydrophobicContact CZ-CE2 4.45Å; F209-Y234 HydrophobicContact CZ-CG 4.37Å; Y234-K236 HydrophobicContact CE1-CB 4.42Å; Y234-P237 VanDerWaalsContact OH-CD 3.29Å; Y234-P237 WeakPolarHBondContact OH-CD 3.48Å
235	R	94.5	Very high	89	Confident	115 Å²	115	68.9 Å²	68.9	43%	0.434	33%	0.332	S	S	.	.			trans	-95.5	105.2	173.8	-64.3	177.3	-75.5	169.3	-5.9	105.9	S206 S207 V208 F209 S210 M233 P237	S206-R235 PolarHBondContact O-NH2 3.25Å; S207-R235 PolarHBondContact O-NH2 2.87Å; V208-R235 WeakPolarHBondContact O-CA 3.27Å; V208-R235 WeakPolarHBondContact O-CB 3.38Å; V208-R235 PolarHBondContact O-N 3.23Å; F209-R235 PolarHBondContact O-NH2 3.49Å; S210-R235 WeakPolarHBondContact OG-CD 3.25Å; M233-R235 PolarHBondContact O-N 3.43Å; R235-P237 VanDerWaalsContact O-CD 3.28Å; R235-P237 WeakPolarHBondContact O-CD 3.45Å; R235-P237 VanDerWaalsContact O-N 3.12Å
236	K	79.8	Confident	88.7	Confident	125 Å²	125	70.1 Å²	70.1	54%	0.543	33%	0.325	S	S	.	.			trans	-57	120.9	173.2	-171.9	176.2	-176.9	-176.3	0	107.5	P184 Y234 V238	P184-K236 HydrophobicContact CG-CB 4.22Å; Y234-K236 HydrophobicContact CE1-CB 4.42Å; K236-V238 PolarHBondContact O-N 3.39Å
237	P	69.8	Low	88.1	Confident	58 Å²	58	74.2 Å²	74.2	38%	0.377	34%	0.344	S	S	.	.			trans	-55.4	129	177.6	-22.9	31.8	0	0	0	108.8	V208 Y234 R235 K239	V208-P237 HydrophobicContact CG1-CG 4.47Å; Y234-P237 VanDerWaalsContact OH-CD 3.29Å; Y234-P237 WeakPolarHBondContact OH-CD 3.48Å; R235-P237 VanDerWaalsContact O-CD 3.28Å; R235-P237 WeakPolarHBondContact O-CD 3.45Å; R235-P237 VanDerWaalsContact O-N 3.12Å; P237-K239 PolarHBondContact O-N 3.3Å
238	V	60.8	Low	87.2	Confident	147 Å²	147	73.5 Å²	73.5	89%	0.891	35%	0.347	S	S	*	.			trans	-69.9	115.3	168.8	-174.6	0	0	0	0	105.2	K236	K236-V238 PolarHBondContact O-N 3.39Å
239	K	52.5	Low	86.2	Confident	240 Å²	240	80.2 Å²	80.2	100%	1.043	38%	0.378	S	S	*	.			trans	-72	0	172.7	-74.3	-169	176.7	-171	0	110.3	P237	P237-K239 PolarHBondContact O-N 3.3Å

Retrieved 239 of 239 residues in 138.1 ms (Link to these results)

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