A0A087Y8Y9_POEFO Loading...

GMP reductase

Catalyzes the irreversible NADPH-dependent deamination of GMP to IMP. It functions in the conversion of nucleobase, nucleoside and nucleotide derivatives of G to A nucleotides, and in maintaining the intracellular balance of A and G nucleotides. Plays a role in modulating cellular differentiation.

AlphaFold DB , UniProt , Accession A0A087Y8Y9, Species POEFO (Poecilia formosa, Amazon molly), Gene GMPR, Length 364 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	A	53.3	Low	43.4	Very low	136 Å²	136	113.6 Å²	113.6	100%	1.124	66%	0.659	S	S	*	*				0	-46	0	0	0	0	0	0	113
2	A	48.2	Very low	43.5	Very low	87 Å²	87	110.7 Å²	110.7	72%	0.719	65%	0.65	S	S	*	*	H	α-helix	trans	-68.4	-31	179.5	0	0	0	0	0	115.4	A4 A5 F6	A2-A4 PolarHBondContact O-N 2.79Å; A2-A5 PolarHBondContact O-N 3.14Å; A2-F6 PolarHBondContact O-N 2.75Å
3	A	40.5	Very low	43.5	Very low	72 Å²	72	108.4 Å²	108.4	60%	0.595	64%	0.644	S	S	*	*	H	α-helix	trans	-71.5	-28	179.4	0	0	0	0	0	114.2	F6 L7	A3-F6 PolarHBondContact O-N 2.52Å; A3-L7 PolarHBondContact O-N 3.23Å
4	A	43.7	Very low	43.4	Very low	65 Å²	65	107.9 Å²	107.9	54%	0.537	64%	0.642	S	S	.	*	H	α-helix	trans	-75.7	-27.8	177.8	0	0	0	0	0	112.6	A2 R8	A2-A4 PolarHBondContact O-N 2.79Å; A4-R8 PolarHBondContact O-N 3.41Å
5	A	46.8	Very low	43.5	Very low	63 Å²	63	108.9 Å²	108.9	52%	0.521	64%	0.642	S	S	.	*	H	α-helix	trans	-73.7	-33.3	173.7	0	0	0	0	0	112	A2 R9	A2-A5 PolarHBondContact O-N 3.14Å; A5-R9 PolarHBondContact O-N 3.4Å
6	F	39.6	Very low	43.6	Very low	147 Å²	147	116.1 Å²	116.1	65%	0.645	65%	0.654	S	S	*	*	H	α-helix	trans	-69.9	-42.5	175.8	-163	-101.6	0	0	0	111.9	A2 A3 R8 R9 V10	A2-F6 PolarHBondContact O-N 2.75Å; A3-F6 PolarHBondContact O-N 2.52Å; F6-R8 VanDerWaalsContact C-N 3.32Å; F6-R8 PolarHBondContact O-N 3.35Å; F6-R9 PolarHBondContact O-N 3.24Å; F6-V10 HydrophobicContact CD1-CG2 4.09Å; F6-V10 HydrophobicContact CE1-CG2 3.88Å; F6-V10 HydrophobicContact CZ-CG2 4.27Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.18Å; F6-V10 PolarHBondContact O-N 2.93Å
7	L	38.1	Very low	43.9	Very low	128 Å²	128	113.9 Å²	113.9	67%	0.67	65%	0.654	S	S	*	*	H	α-helix	trans	-66.5	-28.1	176.7	-79.2	160.3	0	0	0	113.7	A3 S11	A3-L7 PolarHBondContact O-N 3.23Å; L7-S11 WeakPolarHBondContact O-CB 3.44Å; L7-S11 PolarHBondContact O-N 3.34Å
8	R	42.5	Very low	44.3	Very low	213 Å²	213	114.2 Å²	114.2	80%	0.804	66%	0.664	S	S	*	*	H	α-helix	trans	-76.2	-32.6	171.6	-80.2	-174.4	175.8	-167	-1.2	113.5	A4 F6	A4-R8 PolarHBondContact O-N 3.41Å; F6-R8 VanDerWaalsContact C-N 3.32Å; F6-R8 PolarHBondContact O-N 3.35Å
9	R	42	Very low	45.1	Very low	210 Å²	210	119.8 Å²	119.8	79%	0.792	67%	0.673	S	S	*	*	H	α-helix	trans	-73.5	-27.8	174.5	-98.8	-178.7	172.8	178.8	-2.3	113.6	A5 F6 S13	A5-R9 PolarHBondContact O-N 3.4Å; F6-R9 PolarHBondContact O-N 3.24Å; R9-S13 PolarHBondContact O-OG 3.19Å
10	V	41	Very low	46.3	Very low	59 Å²	59	122 Å²	122	36%	0.358	68%	0.68	S	S	.	*	H	α-helix	trans	-83.9	-19.4	176.5	179.6	0	0	0	0	111.8	F6 V14	F6-V10 HydrophobicContact CD1-CG2 4.09Å; F6-V10 HydrophobicContact CE1-CG2 3.88Å; F6-V10 HydrophobicContact CZ-CG2 4.27Å; F6-V10 VanDerWaalsContact O-CG2 3.31Å; F6-V10 WeakPolarHBondContact O-CG2 3.18Å; F6-V10 PolarHBondContact O-N 2.93Å; V10-V14 HydrophobicContact CG1-CG2 3.77Å; V10-V14 WeakPolarHBondContact O-CB 3.34Å; V10-V14 VanDerWaalsContact O-CG2 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.44Å; V10-V14 PolarHBondContact O-N 2.92Å
11	S	41.4	Very low	47.7	Very low	70 Å²	70	122.2 Å²	122.2	49%	0.49	69%	0.686	S	S	.	*	H	α-helix	trans	-74.2	-26.8	-179.9	161	0	0	0	0	114.4	L7 L15	L7-S11 WeakPolarHBondContact O-CB 3.44Å; L7-S11 PolarHBondContact O-N 3.34Å; S11-L15 WeakPolarHBondContact O-CD1 3.39Å
12	S	44.8	Very low	49.3	Very low	78 Å²	78	126 Å²	126	55%	0.545	67%	0.672	S	S	.	*	H	α-helix	trans	-91.3	-27.3	-179.8	57.8	0	0	0	0	113.4
13	S	44	Very low	51	Low	81 Å²	81	127.6 Å²	127.6	57%	0.566	67%	0.672	S	S	*	*	H	α-helix	trans	-85.5	-24.4	-179.5	53.9	0	0	0	0	113.7	R9	R9-S13 PolarHBondContact O-OG 3.19Å
14	V	42.2	Very low	53.2	Low	102 Å²	102	128 Å²	128	62%	0.618	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-90	-10.3	-177.4	-179.6	0	0	0	0	113.3	V10	V10-V14 HydrophobicContact CG1-CG2 3.77Å; V10-V14 WeakPolarHBondContact O-CB 3.34Å; V10-V14 VanDerWaalsContact O-CG2 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.44Å; V10-V14 PolarHBondContact O-N 2.92Å
15	L	44.5	Very low	55.4	Low	122 Å²	122	130.9 Å²	130.9	64%	0.639	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-92.5	-0.2	177.7	-82.5	167.4	0	0	0	115	S11 A17	S11-L15 WeakPolarHBondContact O-CD1 3.39Å; L15-A17 VanDerWaalsContact C-N 3.33Å
16	W	44.8	Very low	57.6	Low	224 Å²	224	132.9 Å²	132.9	85%	0.848	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-84.1	-7.4	176.2	-82.4	71.1	0	0	0	113.9	S18	W16-S18 PolarHBondContact O-N 2.79Å; W16-S18 VanDerWaalsContact O-N 3.09Å
17	A	48.1	Very low	60.2	Low	79 Å²	79	130.7 Å²	130.7	65%	0.653	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	105.4	172.5	0	0	0	0	0	109.5	L15	L15-A17 VanDerWaalsContact C-N 3.33Å
18	S	51.5	Low	63	Low	119 Å²	119	127.6 Å²	127.6	83%	0.832	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.4	29.4	166.3	80.3	0	0	0	0	120.3	W16 M20	W16-S18 PolarHBondContact O-N 2.79Å; W16-S18 VanDerWaalsContact O-N 3.09Å; S18-M20 PolarHBondContact O-N 3.14Å
19	R	59.7	Low	65.7	Low	221 Å²	221	119 Å²	119	83%	0.834	62%	0.622	S	S	*	*			trans	-91.7	100.5	160.7	-69.3	-168	-175.7	-159.1	1.6	110.7
20	M	70.3	Confident	68.4	Low	164 Å²	164	110.8 Å²	110.8	81%	0.808	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-52.5	158.1	163.7	-75.9	-97.8	-72.6	0	0	111	S18 R22	S18-M20 PolarHBondContact O-N 3.14Å; M20-R22 PolarHBondContact O-N 3.29Å; M20-R22 VanDerWaalsContact O-N 3.16Å
21	P	75.6	Confident	71.1	Confident	126 Å²	126	108.3 Å²	108.3	82%	0.818	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-53.9	124.6	175.4	22.1	-32.8	0	0	0	110.4
22	R	86.1	Confident	73.8	Confident	217 Å²	217	110.5 Å²	110.5	82%	0.819	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-96.5	127.1	173.7	-179	-176.7	175	-165.8	-2.6	108.3	M20	M20-R22 PolarHBondContact O-N 3.29Å; M20-R22 VanDerWaalsContact O-N 3.16Å
23	V	84.3	Confident	76.3	Confident	119 Å²	119	108.4 Å²	108.4	72%	0.721	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-83.6	118.9	166.4	-179.3	0	0	0	0	107.6	V25	V23-V25 HydrophobicContact CG1-CG1 4.44Å; V23-V25 PolarHBondContact O-N 3.27Å
24	D	85.3	Confident	78.9	Confident	80 Å²	80	104.6 Å²	104.6	43%	0.428	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-73.1	120	166.7	-171.3	0.2	0	0	0	108.2	D26 K28	D24-D26 WeakPolarHBondContact OD1-CB 3.43Å; D24-D26 PolarHBondContact OD1-N 3.2Å; D24-K28 WeakPolarHBondContact OD2-CE 3.39Å; D24-K28 IonicContact OD2-NZ 3.31Å; D24-K28 PolarHBondContact OD2-NZ 2.88Å; D24-K28 VanDerWaalsContact OD2-NZ 3.15Å
25	V	90.6	Very high	81.6	Confident	127 Å²	127	103 Å²	103	77%	0.77	52%	0.523	S	S	*	.			trans	-96.7	-4.4	-178.5	-63.8	0	0	0	0	112.1	V23	V23-V25 HydrophobicContact CG1-CG1 4.44Å; V23-V25 PolarHBondContact O-N 3.27Å
26	D	93.3	Very high	84.2	Confident	104 Å²	104	98.8 Å²	98.8	56%	0.556	50%	0.499	S	S	*	.	S	Bend	trans	-67.2	134.9	179.1	-69.4	-17.6	0	0	0	110.2	D24 K28	D24-D26 WeakPolarHBondContact OD1-CB 3.43Å; D24-D26 PolarHBondContact OD1-N 3.2Å; D26-K28 PolarHBondContact O-N 2.73Å; D26-K28 VanDerWaalsContact O-N 3.16Å
27	L	95.1	Very high	86.7	Confident	101 Å²	101	94.8 Å²	94.8	53%	0.529	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-66	117.9	-180	-178.8	70.7	0	0	0	110.6	L29	L27-L29 HydrophobicContact CD1-CD2 4.36Å; L27-L29 HydrophobicContact CD2-CD2 3.81Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD2 3.87Å; L27-L29 HydrophobicContact CG-CG 4.37Å
28	K	96.9	Very high	89.1	Confident	63 Å²	63	94.9 Å²	94.9	27%	0.274	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-103.9	141.5	171.2	-49.6	-56.9	177	170.4	0	110.1	D24 D26 Y215 P216 S219	D24-K28 WeakPolarHBondContact OD2-CE 3.39Å; D24-K28 IonicContact OD2-NZ 3.31Å; D24-K28 PolarHBondContact OD2-NZ 2.88Å; D24-K28 VanDerWaalsContact OD2-NZ 3.15Å; D26-K28 PolarHBondContact O-N 2.73Å; D26-K28 VanDerWaalsContact O-N 3.16Å; K28-Y215 HydrophobicContact CD-CE1 3.9Å; K28-Y215 WeakPolarHBondContact CE-OH 3.32Å; K28-Y215 HydrophobicContact CG-CE1 4.26Å; K28-Y215 PolarHBondContact NZ-OH 3.17Å; K28-P216 HydrophobicContact CB-CB 4.05Å; K28-P216 HydrophobicContact CB-CG 3.62Å; K28-S219 WeakPolarHBondContact CA-OG 3.43Å
29	L	98.1	Very high	91.4	Very high	32 Å²	32	92.7 Å²	92.7	17%	0.168	45%	0.454	C	S	.	.			trans	-123.3	143.1	-168.4	-60.5	173.2	0	0	0	111	L27 D33 V34 P216 L218 S219	L27-L29 HydrophobicContact CD1-CD2 4.36Å; L27-L29 HydrophobicContact CD2-CD2 3.81Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD2 3.87Å; L27-L29 HydrophobicContact CG-CG 4.37Å; L29-D33 HydrophobicContact CB-CB 4.31Å; L29-D33 HydrophobicContact CD2-CB 3.75Å; L29-V34 HydrophobicContact CD1-CG1 4.01Å; L29-P216 CarbonylContact O-C 3.42Å; L29-P216 WeakPolarHBondContact O-CB 3.25Å; L29-L218 HydrophobicContact CB-CD2 4.01Å; L29-L218 WeakPolarHBondContact O-CB 3.25Å; L29-L218 PolarHBondContact O-N 3.08Å; L29-S219 PolarHBondContact N-OG 3.12Å; L29-S219 PolarHBondContact O-N 3.46Å; L29-S219 VanDerWaalsContact O-N 3.1Å
30	D	98.4	Very high	93.2	Very high	38 Å²	38	93.2 Å²	93.2	20%	0.203	46%	0.456	C	S	.	.			trans	-99.1	171.3	164.3	-89.1	-48.4	0	0	0	110.3	K32 D33 R208 P216 Q217	D30-K32 HydrophobicContact CB-CG 4.37Å; D30-K32 PolarHBondContact O-N 2.82Å; D30-K32 VanDerWaalsContact O-N 3.12Å; D30-D33 PolarHBondContact N-OD2 3.38Å; D30-D33 PolarHBondContact O-N 3.34Å; D30-R208 IonicContact OD1-NH2 3.93Å; D30-R208 IonicContact OD2-NH1 2.68Å; D30-P216 WeakPolarHBondContact OD1-CA 3.31Å; D30-Q217 PolarHBondContact OD1-N 3.4Å
31	F	98.3	Very high	94.4	Very high	7 Å²	7	87.3 Å²	87.3	3%	0.031	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-55.2	-33.4	179.6	-61	-53.7	0	0	0	113	D33 Q217 L218 D246 K249 A250	F31-D33 PolarHBondContact O-N 3Å; F31-Q217 HydrophobicContact CE1-CG 4.49Å; F31-Q217 HydrophobicContact CE2-CB 4.01Å; F31-Q217 HydrophobicContact CE2-CG 3.58Å; F31-Q217 HydrophobicContact CZ-CB 4.17Å; F31-Q217 HydrophobicContact CZ-CG 3.51Å; F31-L218 HydrophobicContact CD1-CB 4.09Å; F31-L218 HydrophobicContact CD1-CD1 4.02Å; F31-L218 HydrophobicContact CE1-CB 4.32Å; F31-L218 HydrophobicContact CE1-CD1 4.16Å; F31-D246 HydrophobicContact CB-CB 4.14Å; F31-D246 HydrophobicContact CD2-CB 4.01Å; F31-D246 HydrophobicContact CG-CB 4.07Å; F31-K249 HydrophobicContact CB-CD 4.08Å; F31-K249 HydrophobicContact CD1-CB 3.84Å; F31-K249 HydrophobicContact CE1-CB 4.45Å; F31-K249 VanDerWaalsContact O-CD 3.28Å; F31-K249 WeakPolarHBondContact O-CD 3.44Å; F31-K249 WeakPolarHBondContact O-CE 3.46Å; F31-K249 PolarHBondContact O-NZ 3.11Å; F31-A250 HydrophobicContact CE1-CB 3.83Å; F31-A250 HydrophobicContact CZ-CB 3.88Å
32	K	97.7	Very high	95.4	Very high	117 Å²	117	86.4 Å²	86.4	51%	0.509	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-68.3	-19.3	-179.9	71.1	178.4	179.4	63.8	0	114.9	D30 V34 Q358	D30-K32 HydrophobicContact CB-CG 4.37Å; D30-K32 PolarHBondContact O-N 2.82Å; D30-K32 VanDerWaalsContact O-N 3.12Å; K32-V34 VanDerWaalsContact C-N 3.27Å; K32-V34 PolarHBondContact O-N 3.35Å; K32-Q358 HydrophobicContact CB-CB 4.49Å
33	D	98.4	Very high	95.9	Very high	33 Å²	33	77.6 Å²	77.6	18%	0.176	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-87.3	-0.3	-172.5	-53.9	-48.4	0	0	0	112.4	L29 D30 F31 R354 V355	L29-D33 HydrophobicContact CB-CB 4.31Å; L29-D33 HydrophobicContact CD2-CB 3.75Å; D30-D33 PolarHBondContact N-OD2 3.38Å; D30-D33 PolarHBondContact O-N 3.34Å; F31-D33 PolarHBondContact O-N 3Å; D33-R354 CarbonylContact O-C 3.51Å; D33-R354 WeakPolarHBondContact O-CA 3.43Å; D33-V355 PolarHBondContact O-N 3.18Å
34	V	98.6	Very high	96.5	Very high	2 Å²	2	81.2 Å²	81.2	1%	0.012	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	157.4	-179	-56.6	0	0	0	0	114.4	L29 K32 L218 K249 F352 I353	L29-V34 HydrophobicContact CD1-CG1 4.01Å; K32-V34 VanDerWaalsContact C-N 3.27Å; K32-V34 PolarHBondContact O-N 3.35Å; V34-L218 HydrophobicContact CB-CD2 4.17Å; V34-L218 HydrophobicContact CG1-CD2 3.64Å; V34-L218 HydrophobicContact CG2-CD2 3.41Å; V34-L218 VanDerWaalsContact CG2-CD2 3.41Å; V34-K249 HydrophobicContact CG2-CD 4.14Å; V34-K249 HydrophobicContact CG2-CG 4.48Å; V34-K249 WeakPolarHBondContact O-CE 3.42Å; V34-K249 PolarHBondContact O-NZ 2.97Å; V34-F352 HydrophobicContact CB-CB 3.99Å; V34-F352 HydrophobicContact CB-CD1 3.91Å; V34-F352 HydrophobicContact CB-CG 4.09Å; V34-F352 HydrophobicContact CG1-CB 4.08Å; V34-F352 HydrophobicContact CG1-CG 4.39Å; V34-F352 HydrophobicContact CG2-CB 4.45Å; V34-F352 HydrophobicContact CG2-CD1 3.54Å; V34-F352 HydrophobicContact CG2-CE1 3.9Å; V34-F352 HydrophobicContact CG2-CG 3.99Å; V34-I353 CarbonylContact C-O 3.55Å; V34-I353 WeakPolarHBondContact CA-O 3.31Å
35	L	98.6	Very high	97.1	Very high	67 Å²	67	79.7 Å²	79.7	35%	0.351	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159.6	165.2	-66.6	179	0	0	0	110.8	F352 I353 V355 Q358	L35-F352 CarbonylContact O-C 3.31Å; L35-F352 WeakPolarHBondContact O-CA 3.34Å; L35-I353 PolarHBondContact N-O 3.02Å; L35-I353 PolarHBondContact O-N 3.49Å; L35-V355 HydrophobicContact CB-CG1 4.29Å; L35-V355 HydrophobicContact CD1-CG1 3.79Å; L35-V355 HydrophobicContact CG-CG1 3.79Å; L35-V355 HydrophobicContact CG-CG2 4.35Å; L35-Q358 HydrophobicContact CD2-CG 4.41Å
36	F	98.6	Very high	97.4	Very high	34 Å²	34	80.7 Å²	80.7	15%	0.149	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	136.1	169	-75.1	-83.8	0	0	0	110.8	P38 A248 K249 T334 V338 L346 T350 F352	F36-P38 WeakPolarHBondContact O-CD 3.29Å; F36-A248 HydrophobicContact CE2-CB 4.11Å; F36-A248 WeakPolarHBondContact CZ-O 3.1Å; F36-K249 HydrophobicContact CD2-CG 4.29Å; F36-K249 HydrophobicContact CE2-CB 4.3Å; F36-K249 HydrophobicContact CE2-CG 3.64Å; F36-K249 HydrophobicContact CZ-CG 4.32Å; F36-T334 HydrophobicContact CD1-CG2 4.42Å; F36-T334 HydrophobicContact CD2-CG2 3.76Å; F36-T334 HydrophobicContact CE1-CG2 4.38Å; F36-T334 HydrophobicContact CE2-CG2 3.72Å; F36-T334 HydrophobicContact CG-CG2 4.13Å; F36-T334 HydrophobicContact CZ-CG2 4.04Å; F36-V338 HydrophobicContact CB-CG1 4.26Å; F36-V338 HydrophobicContact CD1-CG1 3.95Å; F36-V338 HydrophobicContact CG-CG1 4.37Å; F36-L346 HydrophobicContact CE1-CD1 4.25Å; F36-T350 HydrophobicContact CD1-CG2 3.92Å; F36-T350 HydrophobicContact CE1-CG2 3.6Å; F36-T350 WeakPolarHBondContact CE1-OG1 3.4Å; F36-F352 HydrophobicContact CD1-CE1 4.2Å; F36-F352 AromaticContact CE1-CE1 3.87Å; F36-F352 HydrophobicContact CE1-CE1 3.87Å; F36-F352 HydrophobicContact CE1-CZ 4.31Å; F36-F352 HydrophobicContact CE2-CE1 4.2Å; F36-F352 AromaticContact CZ-CE1 3.86Å; F36-F352 HydrophobicContact CZ-CE1 3.86Å; F36-F352 HydrophobicContact CZ-CZ 4.28Å
37	R	98.6	Very high	97.6	Very high	141 Å²	141	80.5 Å²	80.5	53%	0.532	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-76.6	118.7	161.6	-173	177.3	-177	-130.1	-0	109.3	T351 I353	R37-T351 HydrophobicContact CB-CG2 4.43Å; R37-T351 WeakPolarHBondContact CB-O 3.45Å; R37-T351 PolarHBondContact N-O 3.13Å; R37-I353 HydrophobicContact CB-CD1 3.75Å; R37-I353 HydrophobicContact CB-CG1 3.95Å; R37-I353 HydrophobicContact CG-CD1 4.07Å
38	P	98.3	Very high	97.7	Very high	81 Å²	81	80.1 Å²	80.1	53%	0.526	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-61.6	150.9	171.7	-20.7	33.4	0	0	0	111.3	F36 Y337	F36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-Y337 CarbonylContact C-O 3.52Å; P38-Y337 VanDerWaalsContact CA-O 3.3Å; P38-Y337 WeakPolarHBondContact CA-O 3.19Å; P38-Y337 HydrophobicContact CB-CD1 4.48Å
39	K	98.1	Very high	97.8	Very high	73 Å²	73	77.5 Å²	77.5	32%	0.317	38%	0.379	S	S	.	.			trans	-132.6	158.3	179.3	-64	-176.3	178.9	176.9	0	109.7	S41 Y337 R349 T351	K39-S41 PolarHBondContact O-N 3.41Å; K39-Y337 PolarHBondContact N-O 3.18Å; K39-R349 WeakPolarHBondContact CD-O 3.36Å; K39-R349 WeakPolarHBondContact CE-O 3.45Å; K39-R349 PolarHBondContact NZ-O 3.37Å; K39-T351 WeakPolarHBondContact CE-OG1 3.33Å; K39-T351 PolarHBondContact NZ-OG1 3.37Å
40	R	97.5	Very high	97.9	Very high	231 Å²	231	78.3 Å²	78.3	87%	0.872	38%	0.384	S	S	*	.			trans	-55.3	126.2	173.9	-172.8	-179.2	-173.4	-82.7	-0.1	109.3
41	S	96.9	Very high	97.9	Very high	41 Å²	41	76.6 Å²	76.6	29%	0.287	38%	0.375	S	S	.	.			trans	-121	147.9	-178.8	-177.1	0	0	0	0	110.3	K39 L43 T336 G339	K39-S41 PolarHBondContact O-N 3.41Å; S41-L43 PolarHBondContact OG-N 2.86Å; S41-T336 WeakPolarHBondContact CB-O 3.22Å; S41-T336 PolarHBondContact OG-O 2.91Å; S41-G339 WeakPolarHBondContact OG-CA 3.5Å
42	S	95.9	Very high	97.9	Very high	107 Å²	107	82.9 Å²	82.9	75%	0.748	40%	0.398	S	S	*	.			trans	-101.3	-7	171.4	52.9	0	0	0	0	112.8
43	L	97	Very high	97.9	Very high	32 Å²	32	78.8 Å²	78.8	17%	0.168	38%	0.38	C	S	.	.			trans	-68.5	133	178.2	-65.8	159	0	0	0	109.6	S41 E48 V49 T336 A340 A341	S41-L43 PolarHBondContact OG-N 2.86Å; L43-E48 WeakPolarHBondContact CA-OE2 3.34Å; L43-E48 HydrophobicContact CD2-CB 3.89Å; L43-V49 HydrophobicContact CD1-CG2 4.18Å; L43-T336 HydrophobicContact CB-CG2 4.32Å; L43-T336 HydrophobicContact CD1-CG2 4.25Å; L43-A340 WeakPolarHBondContact CD1-O 3.42Å; L43-A341 HydrophobicContact CD2-CB 4.01Å
44	K	96.5	Very high	98	Very high	195 Å²	195	81.6 Å²	81.6	85%	0.848	40%	0.398	S	S	*	.			trans	-94.6	-25.6	179.2	-58.7	179.2	-177.3	176.9	0	112	E48	K44-E48 PolarHBondContact N-OE2 2.94Å
45	S	97.4	Very high	98	Very high	47 Å²	47	81.9 Å²	81.9	33%	0.329	40%	0.399	S	S	.	.			trans	-142.4	149.3	-176.9	178.2	0	0	0	0	112.1	S47 E48	S45-S47 WeakPolarHBondContact CB-OG 3.39Å; S45-S47 PolarHBondContact O-N 3.31Å; S45-S47 PolarHBondContact OG-N 3.22Å; S45-S47 VanDerWaalsContact OG-N 3.14Å; S45-S47 PolarHBondContact OG-OG 3.44Å; S45-E48 WeakPolarHBondContact O-CB 3.15Å; S45-E48 PolarHBondContact O-N 3.3Å
46	R	97.6	Very high	98	Very high	149 Å²	149	83.1 Å²	83.1	56%	0.562	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-59.3	-28.6	169.8	-72.4	169.9	-75.4	179.8	-3.5	112.2	E48 V49 R332 T336	R46-E48 PolarHBondContact O-N 3.32Å; R46-V49 WeakPolarHBondContact O-CB 3.47Å; R46-V49 PolarHBondContact O-N 2.75Å; R46-R332 HydrophobicContact CB-CB 4.08Å; R46-R332 WeakPolarHBondContact O-CD 3.25Å; R46-T336 HydrophobicContact CB-CG2 4.36Å; R46-T336 HydrophobicContact CG-CG2 3.82Å
47	S	97.6	Very high	98	Very high	99 Å²	99	81.6 Å²	81.6	69%	0.692	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-67.2	-17.9	179.1	60.5	0	0	0	0	113.9	S45 V49	S45-S47 WeakPolarHBondContact CB-OG 3.39Å; S45-S47 PolarHBondContact O-N 3.31Å; S45-S47 PolarHBondContact OG-N 3.22Å; S45-S47 VanDerWaalsContact OG-N 3.14Å; S45-S47 PolarHBondContact OG-OG 3.44Å; S47-V49 VanDerWaalsContact C-N 3.27Å
48	E	97.8	Very high	98	Very high	94 Å²	94	78.4 Å²	78.4	44%	0.439	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-78.3	-12.7	178.1	-64.4	167.4	-169.1	0	0	112.6	L43 K44 S45 R46	L43-E48 WeakPolarHBondContact CA-OE2 3.34Å; L43-E48 HydrophobicContact CD2-CB 3.89Å; K44-E48 PolarHBondContact N-OE2 2.94Å; S45-E48 WeakPolarHBondContact O-CB 3.15Å; S45-E48 PolarHBondContact O-N 3.3Å; R46-E48 PolarHBondContact O-N 3.32Å
49	V	98.7	Very high	98	Very high	8 Å²	8	76.1 Å²	76.1	5%	0.048	37%	0.374	C	S	.	.			trans	-80.1	122.8	-175.5	178.9	0	0	0	0	111	L43 R46 S47 L51 R332 C335 T336 A341	L43-V49 HydrophobicContact CD1-CG2 4.18Å; R46-V49 WeakPolarHBondContact O-CB 3.47Å; R46-V49 PolarHBondContact O-N 2.75Å; S47-V49 VanDerWaalsContact C-N 3.27Å; V49-L51 HydrophobicContact CG1-CD2 3.86Å; V49-R332 HydrophobicContact CB-CB 4.23Å; V49-R332 HydrophobicContact CB-CG 4.02Å; V49-R332 HydrophobicContact CG1-CG 4.21Å; V49-C335 HydrophobicContact CB-CB 4.44Å; V49-C335 HydrophobicContact CG1-CB 3.59Å; V49-C335 HydrophobicContact CG2-CB 3.96Å; V49-T336 HydrophobicContact CG2-CG2 3.84Å; V49-A341 WeakPolarHBondContact CA-O 3.43Å
50	D	98.7	Very high	98	Very high	48 Å²	48	72.9 Å²	72.9	26%	0.257	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-87.6	114.5	170.7	-165	-10.7	0	0	0	110.8	R52 A341 K342 L343	D50-R52 WeakPolarHBondContact OD1-CB 3.49Å; D50-R52 IonicContact OD1-CZ 3.88Å; D50-R52 PolarHBondContact OD1-N 2.83Å; D50-R52 IonicContact OD1-NE 2.88Å; D50-R52 PolarHBondContact OD1-NE 3.36Å; D50-R52 IonicContact OD1-NH2 3.78Å; D50-R52 IonicContact OD2-CZ 3.34Å; D50-R52 IonicContact OD2-NE 3.56Å; D50-R52 IonicContact OD2-NH2 2.73Å; D50-R52 PolarHBondContact OD2-NH2 3.49Å; D50-A341 PolarHBondContact N-O 2.81Å; D50-K342 HydrophobicContact CB-CG 4.25Å; D50-K342 CarbonylContact O-C 3.5Å; D50-K342 VanDerWaalsContact O-CA 3.29Å; D50-K342 WeakPolarHBondContact O-CA 3.37Å; D50-L343 PolarHBondContact O-N 3.44Å
51	L	98.8	Very high	98.1	Very high	3 Å²	3	68.9 Å²	68.9	2%	0.016	35%	0.349	C	S	.	.			trans	-85.8	-8.4	178.4	-62.6	-175.4	0	0	0	113.5	V49 I67 L328 L331 R332 L343	V49-L51 HydrophobicContact CG1-CD2 3.86Å; L51-I67 HydrophobicContact CB-CD1 4.02Å; L51-I67 HydrophobicContact CB-CG1 4.08Å; L51-I67 HydrophobicContact CB-CG2 4.45Å; L51-I67 HydrophobicContact CD1-CD1 4.49Å; L51-L328 HydrophobicContact CD1-CB 3.9Å; L51-L328 HydrophobicContact CD1-CD2 3.77Å; L51-L328 HydrophobicContact CD1-CG 4.32Å; L51-L331 HydrophobicContact CD1-CD2 4.35Å; L51-L331 HydrophobicContact CD2-CB 4.33Å; L51-L331 HydrophobicContact CD2-CD2 3.89Å; L51-L331 HydrophobicContact CD2-CG 3.81Å; L51-R332 HydrophobicContact CD1-CG 3.87Å; L51-R332 HydrophobicContact CD2-CG 3.88Å; L51-R332 HydrophobicContact CG-CG 3.89Å; L51-L343 WeakPolarHBondContact O-CD2 3.44Å
52	R	98.7	Very high	98.2	Very high	139 Å²	139	70 Å²	70	53%	0.525	35%	0.35	S	S	.	.			trans	-73.6	146.5	-177.8	-64.1	169.1	-63.3	177.7	5.9	111.1	D50 G66 I67	D50-R52 WeakPolarHBondContact OD1-CB 3.49Å; D50-R52 IonicContact OD1-CZ 3.88Å; D50-R52 PolarHBondContact OD1-N 2.83Å; D50-R52 IonicContact OD1-NE 2.88Å; D50-R52 PolarHBondContact OD1-NE 3.36Å; D50-R52 IonicContact OD1-NH2 3.78Å; D50-R52 IonicContact OD2-CZ 3.34Å; D50-R52 IonicContact OD2-NE 3.56Å; D50-R52 IonicContact OD2-NH2 2.73Å; D50-R52 PolarHBondContact OD2-NH2 3.49Å; R52-G66 CarbonylContact C-O 3.56Å; R52-G66 VanDerWaalsContact CA-O 3.27Å; R52-G66 WeakPolarHBondContact CA-O 3.36Å; R52-I67 HydrophobicContact CG-CG1 4.12Å
53	R	98.7	Very high	98.3	Very high	31 Å²	31	68.6 Å²	68.6	12%	0.117	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.7	171.9	-67.1	-66.7	-65.7	-84.9	-0.1	109	F55 T65 G66 P68 D256 L343	R53-F55 HydrophobicContact CB-CD2 4.19Å; R53-F55 HydrophobicContact CB-CE1 4.41Å; R53-F55 HydrophobicContact CB-CE2 3.56Å; R53-F55 HydrophobicContact CB-CZ 3.69Å; R53-F55 HydrophobicContact CG-CE2 4.22Å; R53-F55 HydrophobicContact CG-CZ 3.98Å; R53-T65 VanDerWaalsContact O-CA 3.31Å; R53-T65 WeakPolarHBondContact O-CA 3.45Å; R53-G66 PolarHBondContact N-O 3.37Å; R53-G66 PolarHBondContact O-N 2.88Å; R53-G66 VanDerWaalsContact O-N 3.15Å; R53-P68 HydrophobicContact CB-CG 4.28Å; R53-P68 HydrophobicContact CG-CG 3.8Å; R53-D256 IonicContact NH2-OD1 3.64Å; R53-L343 HydrophobicContact CG-CB 4.49Å; R53-L343 HydrophobicContact CG-CD2 4.14Å; R53-L343 HydrophobicContact CG-CG 4.42Å
54	T	98.6	Very high	98.4	Very high	92 Å²	92	67.2 Å²	67.2	56%	0.564	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.3	166.8	-58.4	0	0	0	0	108.5	T63 Y64 T65	T54-T63 HydrophobicContact CG2-CG2 3.81Å; T54-Y64 CarbonylContact C-O 3.53Å; T54-Y64 WeakPolarHBondContact CA-O 3.33Å; T54-T65 WeakPolarHBondContact CG2-OG1 3.43Å; T54-T65 PolarHBondContact OG1-OG1 2.88Å
55	F	98.7	Very high	98.5	Very high	7 Å²	7	60.9 Å²	60.9	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145	179.7	-62.9	-61.8	0	0	0	110	R53 F57 T63 Y64 P68 H234 D256 F257	R53-F55 HydrophobicContact CB-CD2 4.19Å; R53-F55 HydrophobicContact CB-CE1 4.41Å; R53-F55 HydrophobicContact CB-CE2 3.56Å; R53-F55 HydrophobicContact CB-CZ 3.69Å; R53-F55 HydrophobicContact CG-CE2 4.22Å; R53-F55 HydrophobicContact CG-CZ 3.98Å; F55-F57 HydrophobicContact CB-CE1 4.01Å; F55-F57 HydrophobicContact CB-CZ 4.23Å; F55-T63 CarbonylContact O-C 3.5Å; F55-T63 WeakPolarHBondContact O-CA 3.38Å; F55-T63 WeakPolarHBondContact O-CG2 3.43Å; F55-Y64 AromaticContact CD2-CD1 3.52Å; F55-Y64 HydrophobicContact CD2-CD1 3.52Å; F55-Y64 HydrophobicContact CD2-CE1 4.05Å; F55-Y64 HydrophobicContact CD2-CG 4.44Å; F55-Y64 HydrophobicContact CE2-CD1 4.21Å; F55-Y64 HydrophobicContact CE2-CE1 4.28Å; F55-Y64 HydrophobicContact CG-CD1 4.46Å; F55-Y64 PolarHBondContact N-O 3.05Å; F55-Y64 PolarHBondContact O-N 3.25Å; F55-P68 HydrophobicContact CE2-CB 4.18Å; F55-H234 AromaticContact CD1-CD2 3.35Å; F55-H234 WeakPolarHBondContact CD1-CD2 3.37Å; F55-H234 AromaticContact CD1-NE2 3.22Å; F55-H234 WeakPolarHBondContact CD1-NE2 3.4Å; F55-H234 AromaticContact CE1-CD2 3.67Å; F55-H234 AromaticContact CE1-NE2 3.95Å; F55-H234 AromaticContact CG-CD2 3.79Å; F55-H234 AromaticContact CG-NE2 3.69Å; F55-D256 HydrophobicContact CE1-CB 4.03Å; F55-D256 WeakPolarHBondContact CE1-OD1 3.42Å; F55-D256 HydrophobicContact CE2-CB 4.23Å; F55-D256 HydrophobicContact CZ-CB 3.65Å; F55-F257 HydrophobicContact CD2-CE1 4.48Å; F55-F257 AromaticContact CD2-CE2 3.78Å; F55-F257 HydrophobicContact CD2-CE2 3.78Å; F55-F257 AromaticContact CD2-CZ 3.56Å; F55-F257 HydrophobicContact CD2-CZ 3.56Å; F55-F257 HydrophobicContact CE2-CD2 4.39Å; F55-F257 HydrophobicContact CE2-CE1 4.32Å; F55-F257 AromaticContact CE2-CE2 3.7Å; F55-F257 HydrophobicContact CE2-CE2 3.7Å; F55-F257 AromaticContact CE2-CZ 3.66Å; F55-F257 HydrophobicContact CE2-CZ 3.66Å
56	T	98.8	Very high	98.5	Very high	93 Å²	93	58.7 Å²	58.7	57%	0.571	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.7	166.1	-59	0	0	0	0	107.3	Q62 H234	T56-Q62 WeakPolarHBondContact CA-O 3.22Å; T56-H234 PolarHBondContact O-CE1 3.3Å
57	F	98.9	Very high	98.6	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.009	27%	0.269	C	S	.	.			trans	-81.2	142.1	-171.3	-62.2	-59.5	0	0	0	112.3	F55 N59 S60 K61 Q62 Y64 Y144 T172 D193 I194 H234 F257	F55-F57 HydrophobicContact CB-CE1 4.01Å; F55-F57 HydrophobicContact CB-CZ 4.23Å; F57-N59 PolarHBondContact O-N 3.37Å; F57-S60 WeakPolarHBondContact CB-OG 3.48Å; F57-K61 VanDerWaalsContact O-CA 3.31Å; F57-K61 WeakPolarHBondContact O-CA 3.49Å; F57-K61 PolarHBondContact O-N 3.18Å; F57-Q62 HydrophobicContact CD2-CB 4.31Å; F57-Q62 WeakPolarHBondContact CD2-O 3.41Å; F57-Q62 PolarHBondContact N-O 2.92Å; F57-Y64 HydrophobicContact CZ-CG 4.31Å; F57-Y144 AromaticContact CE2-CE1 3.66Å; F57-Y144 HydrophobicContact CE2-CE1 3.66Å; F57-Y144 HydrophobicContact CZ-CE1 4.09Å; F57-T172 HydrophobicContact CB-CG2 4.3Å; F57-T172 HydrophobicContact CD1-CG2 4.08Å; F57-T172 HydrophobicContact CD2-CG2 3.44Å; F57-T172 VanDerWaalsContact CD2-CG2 3.44Å; F57-T172 VanDerWaalsContact CD2-OG1 3.28Å; F57-T172 WeakPolarHBondContact CD2-OG1 3.42Å; F57-T172 HydrophobicContact CE1-CG2 4.28Å; F57-T172 HydrophobicContact CE2-CG2 3.66Å; F57-T172 HydrophobicContact CG-CG2 3.67Å; F57-T172 HydrophobicContact CZ-CG2 4.07Å; F57-D193 HydrophobicContact CB-CB 3.96Å; F57-D193 HydrophobicContact CD1-CB 4.31Å; F57-D193 HydrophobicContact CG-CB 4.28Å; F57-I194 HydrophobicContact CD1-CD1 4.11Å; F57-I194 HydrophobicContact CD1-CG1 3.96Å; F57-I194 HydrophobicContact CE1-CD1 3.47Å; F57-I194 VanDerWaalsContact CE1-CD1 3.47Å; F57-I194 HydrophobicContact CE1-CG1 3.78Å; F57-I194 HydrophobicContact CZ-CD1 3.83Å; F57-H234 AromaticContact CD1-ND1 3.76Å; F57-F257 HydrophobicContact CE1-CE2 4.27Å; F57-F257 HydrophobicContact CE1-CZ 4.34Å; F57-F257 HydrophobicContact CZ-CZ 4.2Å
58	R	98.6	Very high	98.6	Very high	74 Å²	74	47.4 Å²	47.4	28%	0.279	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-48.8	-170.2	-172.2	-166	-177.2	-97.8	6.5	112.7	K61 L231	R58-K61 WeakPolarHBondContact O-CD 3.39Å; R58-K61 WeakPolarHBondContact O-CE 3.46Å; R58-K61 PolarHBondContact O-NZ 3.22Å; R58-L231 WeakPolarHBondContact CD-O 3.24Å; R58-L231 PolarHBondContact NE-O 2.86Å
59	N	98.8	Very high	98.7	Very high	33 Å²	33	43 Å²	43	18%	0.176	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-46.2	-166.6	-66.8	-33.1	0	0	0	111	F57 K61 I188 G191 A192 D193	F57-N59 PolarHBondContact O-N 3.37Å; N59-K61 VanDerWaalsContact C-N 3.26Å; N59-K61 PolarHBondContact O-N 3.21Å; N59-I188 PolarHBondContact ND2-O 2.84Å; N59-G191 VanDerWaalsContact ND2-C 3.27Å; N59-G191 PolarHBondContact ND2-O 2.81Å; N59-A192 PolarHBondContact ND2-O 3.5Å; N59-D193 VanDerWaalsContact CA-OD1 3.3Å; N59-D193 WeakPolarHBondContact CA-OD1 3.35Å; N59-D193 VanDerWaalsContact CB-OD1 3.31Å; N59-D193 WeakPolarHBondContact CB-OD1 3.36Å; N59-D193 PolarHBondContact N-OD1 3.18Å
60	S	98.7	Very high	98.7	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.035	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.5	178.1	76.1	0	0	0	0	113.8	F57 Q62 H171 T172 D193	F57-S60 WeakPolarHBondContact CB-OG 3.48Å; S60-Q62 PolarHBondContact O-N 3.49Å; S60-Q62 VanDerWaalsContact O-N 3.11Å; S60-Q62 PolarHBondContact O-NE2 2.92Å; S60-Q62 PolarHBondContact OG-N 3.19Å; S60-H171 WeakPolarHBondContact CB-O 3.49Å; S60-T172 PolarHBondContact OG-OG1 2.86Å; S60-D193 WeakPolarHBondContact CB-OD2 3.45Å; S60-D193 PolarHBondContact N-OD1 2.79Å
61	K	98.7	Very high	98.7	Very high	147 Å²	147	40.3 Å²	40.3	64%	0.639	20%	0.2	S	C	*	.			trans	61.3	6.4	-171.6	-44.5	-54.6	-177.3	-170.7	0	114.4	F57 R58 N59	F57-K61 VanDerWaalsContact O-CA 3.31Å; F57-K61 WeakPolarHBondContact O-CA 3.49Å; F57-K61 PolarHBondContact O-N 3.18Å; R58-K61 WeakPolarHBondContact O-CD 3.39Å; R58-K61 WeakPolarHBondContact O-CE 3.46Å; R58-K61 PolarHBondContact O-NZ 3.22Å; N59-K61 VanDerWaalsContact C-N 3.26Å; N59-K61 PolarHBondContact O-N 3.21Å
62	Q	98.6	Very high	98.7	Very high	65 Å²	65	40.3 Å²	40.3	30%	0.304	20%	0.201	S	C	.	.			trans	-73.1	162.6	178.2	-58.5	-54.4	-39.3	0	0	110.9	T56 F57 S60 K170	T56-Q62 WeakPolarHBondContact CA-O 3.22Å; F57-Q62 HydrophobicContact CD2-CB 4.31Å; F57-Q62 WeakPolarHBondContact CD2-O 3.41Å; F57-Q62 PolarHBondContact N-O 2.92Å; S60-Q62 PolarHBondContact O-N 3.49Å; S60-Q62 VanDerWaalsContact O-N 3.11Å; S60-Q62 PolarHBondContact O-NE2 2.92Å; S60-Q62 PolarHBondContact OG-N 3.19Å; Q62-K170 WeakPolarHBondContact CG-O 3.42Å; Q62-K170 PolarHBondContact NE2-O 2.99Å
63	T	98.6	Very high	98.7	Very high	78 Å²	78	34.5 Å²	34.5	48%	0.479	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140	176.4	-61	0	0	0	0	109.9	T54 F55	T54-T63 HydrophobicContact CG2-CG2 3.81Å; F55-T63 CarbonylContact O-C 3.5Å; F55-T63 WeakPolarHBondContact O-CA 3.38Å; F55-T63 WeakPolarHBondContact O-CG2 3.43Å
64	Y	98.7	Very high	98.7	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.5	171.5	164.8	-92.7	0	0	0	109.2	T54 F55 F57 G66 I67 P68 F92 H117 Y144 F257	T54-Y64 CarbonylContact C-O 3.53Å; T54-Y64 WeakPolarHBondContact CA-O 3.33Å; F55-Y64 AromaticContact CD2-CD1 3.52Å; F55-Y64 HydrophobicContact CD2-CD1 3.52Å; F55-Y64 HydrophobicContact CD2-CE1 4.05Å; F55-Y64 HydrophobicContact CD2-CG 4.44Å; F55-Y64 HydrophobicContact CE2-CD1 4.21Å; F55-Y64 HydrophobicContact CE2-CE1 4.28Å; F55-Y64 HydrophobicContact CG-CD1 4.46Å; F55-Y64 PolarHBondContact N-O 3.05Å; F55-Y64 PolarHBondContact O-N 3.25Å; F57-Y64 HydrophobicContact CZ-CG 4.31Å; Y64-G66 WeakPolarHBondContact OH-CA 3.45Å; Y64-G66 PolarHBondContact OH-O 3.35Å; Y64-I67 PolarHBondContact OH-N 2.87Å; Y64-I67 PolarHBondContact OH-O 2.9Å; Y64-I67 VanDerWaalsContact OH-O 3.05Å; Y64-P68 HydrophobicContact CE1-CB 4.31Å; Y64-P68 WeakPolarHBondContact OH-CA 3.36Å; Y64-F92 AromaticContact CE2-CD2 3.98Å; Y64-F92 HydrophobicContact CE2-CD2 3.98Å; Y64-H117 AromaticContact CD2-CD2 3.67Å; Y64-H117 AromaticContact CD2-NE2 3.67Å; Y64-H117 AromaticContact CE2-CD2 3.38Å; Y64-H117 WeakPolarHBondContact CE2-CD2 3.2Å; Y64-H117 AromaticContact CE2-NE2 3.47Å; Y64-H117 WeakPolarHBondContact CE2-NE2 3.3Å; Y64-Y144 WeakPolarHBondContact CB-OH 2.88Å; Y64-F257 HydrophobicContact CD1-CE1 4.2Å; Y64-F257 HydrophobicContact CD1-CZ 4.03Å; Y64-F257 AromaticContact CE1-CE1 3.8Å; Y64-F257 HydrophobicContact CE1-CE1 3.8Å; Y64-F257 HydrophobicContact CE1-CZ 4.07Å; Y64-F257 HydrophobicContact CE2-CE1 4.17Å; Y64-F257 HydrophobicContact CG-CZ 4.29Å; Y64-F257 AromaticContact CZ-CE1 3.78Å
65	T	98.6	Very high	98.5	Very high	63 Å²	63	30 Å²	30	39%	0.387	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	112.5	164.6	-64.7	0	0	0	0	111	R53 T54 H117	R53-T65 VanDerWaalsContact O-CA 3.31Å; R53-T65 WeakPolarHBondContact O-CA 3.45Å; T54-T65 WeakPolarHBondContact CG2-OG1 3.43Å; T54-T65 PolarHBondContact OG1-OG1 2.88Å; T65-H117 PolarHBondContact O-CE1 2.85Å; T65-H117 VanDerWaalsContact O-CE1 3.23Å; T65-H117 PolarHBondContact O-NE2 3.48Å
66	G	98.6	Very high	98.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-172	179.9	0	0	0	0	0	112.2	R52 R53 Y64	R52-G66 CarbonylContact C-O 3.56Å; R52-G66 VanDerWaalsContact CA-O 3.27Å; R52-G66 WeakPolarHBondContact CA-O 3.36Å; R53-G66 PolarHBondContact N-O 3.37Å; R53-G66 PolarHBondContact O-N 2.88Å; R53-G66 VanDerWaalsContact O-N 3.15Å; Y64-G66 WeakPolarHBondContact OH-CA 3.45Å; Y64-G66 PolarHBondContact OH-O 3.35Å
67	I	98.8	Very high	98.3	Very high	11 Å²	11	25.3 Å²	25.3	6%	0.056	13%	0.126	C	C	.	.			trans	-88.1	116	171.3	-62.1	-178.9	0	0	0	107.8	L51 R52 Y64 I69 H89 T90 L91 L328	L51-I67 HydrophobicContact CB-CD1 4.02Å; L51-I67 HydrophobicContact CB-CG1 4.08Å; L51-I67 HydrophobicContact CB-CG2 4.45Å; L51-I67 HydrophobicContact CD1-CD1 4.49Å; R52-I67 HydrophobicContact CG-CG1 4.12Å; Y64-I67 PolarHBondContact OH-N 2.87Å; Y64-I67 PolarHBondContact OH-O 2.9Å; Y64-I67 VanDerWaalsContact OH-O 3.05Å; I67-I69 HydrophobicContact CG2-CD1 4.17Å; I67-I69 HydrophobicContact CG2-CG1 4.27Å; I67-I69 PolarHBondContact O-N 3.4Å; I67-H89 WeakPolarHBondContact CD1-O 3.43Å; I67-T90 PolarHBondContact N-O 3.41Å; I67-L91 HydrophobicContact CB-CD1 3.97Å; I67-L91 HydrophobicContact CB-CG 4.42Å; I67-L91 HydrophobicContact CD1-CD1 4.22Å; I67-L91 HydrophobicContact CG2-CD1 4.05Å; I67-L91 HydrophobicContact CG2-CG 4.32Å; I67-L328 HydrophobicContact CD1-CD1 4.12Å; I67-L328 HydrophobicContact CD1-CD2 4.23Å; I67-L328 HydrophobicContact CG2-CD2 3.83Å
68	P	98.8	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.			trans	-81.9	51.8	-166.1	37.2	-41.8	0	0	0	113.1	R53 F55 Y64 F251 D256 F257 V258 L343	R53-P68 HydrophobicContact CB-CG 4.28Å; R53-P68 HydrophobicContact CG-CG 3.8Å; F55-P68 HydrophobicContact CE2-CB 4.18Å; Y64-P68 HydrophobicContact CE1-CB 4.31Å; Y64-P68 WeakPolarHBondContact OH-CA 3.36Å; P68-F251 HydrophobicContact CB-CE1 4.42Å; P68-F251 HydrophobicContact CG-CE1 3.69Å; P68-F251 HydrophobicContact CG-CZ 3.91Å; P68-F251 WeakPolarHBondContact O-CZ 3.3Å; P68-D256 WeakPolarHBondContact CB-O 3.35Å; P68-D256 VanDerWaalsContact CG-O 3.3Å; P68-D256 WeakPolarHBondContact CG-O 3.36Å; P68-F257 HydrophobicContact CB-CB 4.34Å; P68-F257 HydrophobicContact CB-CD1 3.29Å; P68-F257 HydrophobicContact CB-CE1 3.61Å; P68-F257 HydrophobicContact CB-CG 3.84Å; P68-F257 HydrophobicContact CB-CZ 4.39Å; P68-F257 CarbonylContact O-C 3.57Å; P68-F257 WeakPolarHBondContact O-CA 3.27Å; P68-V258 PolarHBondContact O-N 3.11Å; P68-L343 HydrophobicContact CG-CD2 3.87Å
69	I	98.9	Very high	98.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.6	171.7	-65.7	172.1	0	0	0	107.4	I67 L91 F92 V247 F251 V258 M260 V327 L328	I67-I69 HydrophobicContact CG2-CD1 4.17Å; I67-I69 HydrophobicContact CG2-CG1 4.27Å; I67-I69 PolarHBondContact O-N 3.4Å; I69-L91 HydrophobicContact CB-CD2 3.94Å; I69-L91 HydrophobicContact CB-CG 4.12Å; I69-L91 HydrophobicContact CG2-CD2 3.9Å; I69-F92 PolarHBondContact O-N 3.28Å; I69-V247 HydrophobicContact CD1-CG1 4.25Å; I69-F251 HydrophobicContact CD1-CE2 4.43Å; I69-F251 HydrophobicContact CG1-CE2 4.03Å; I69-F251 HydrophobicContact CG1-CZ 3.91Å; I69-V258 WeakPolarHBondContact CA-O 3.5Å; I69-M260 HydrophobicContact CG2-CE 3.4Å; I69-M260 VanDerWaalsContact CG2-CE 3.4Å; I69-M260 HydrophobicContact CG2-SD 4.21Å; I69-V327 HydrophobicContact CD1-CG1 3.86Å; I69-L328 HydrophobicContact CD1-CD2 3.83Å
70	I	98.9	Very high	98.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.7	-172.4	-53.4	169.5	0	0	0	109.7	F92 A94 M174 I236 F257 V258 M259 M260	I70-F92 CarbonylContact C-O 3.54Å; I70-F92 VanDerWaalsContact CA-O 3.3Å; I70-F92 WeakPolarHBondContact CA-O 3.34Å; I70-F92 HydrophobicContact CB-CB 4.5Å; I70-F92 HydrophobicContact CG1-CB 3.96Å; I70-F92 HydrophobicContact CG1-CD1 4.29Å; I70-F92 HydrophobicContact CG1-CG 4.32Å; I70-F92 HydrophobicContact CG2-CD1 4.01Å; I70-A94 HydrophobicContact CG2-CB 4.01Å; I70-M174 HydrophobicContact CD1-CE 4.33Å; I70-M174 HydrophobicContact CD1-SD 4.45Å; I70-I236 HydrophobicContact CD1-CD1 3.66Å; I70-I236 HydrophobicContact CD1-CG1 4.01Å; I70-I236 HydrophobicContact CD1-CG2 3.97Å; I70-F257 HydrophobicContact CD1-CB 3.65Å; I70-F257 HydrophobicContact CD1-CD1 3.81Å; I70-F257 HydrophobicContact CD1-CG 3.91Å; I70-F257 HydrophobicContact CG1-CB 4.23Å; I70-F257 HydrophobicContact CG1-CD1 4.04Å; I70-V258 PolarHBondContact N-O 2.95Å; I70-M259 HydrophobicContact CB-CB 4.23Å; I70-M259 HydrophobicContact CB-CE 4.24Å; I70-M259 HydrophobicContact CB-CG 4.49Å; I70-M259 HydrophobicContact CG2-CE 3.56Å; I70-M259 CarbonylContact O-C 3.49Å; I70-M259 VanDerWaalsContact O-CA 3.27Å; I70-M259 WeakPolarHBondContact O-CA 3.26Å; I70-M260 PolarHBondContact O-N 3.28Å
71	A	98.9	Very high	98.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.9	162.8	0	0	0	0	0	110.3	M82 L86 F92 T93 A94 L264	A71-M82 HydrophobicContact CB-CG 3.87Å; A71-L86 HydrophobicContact CB-CD2 3.64Å; A71-F92 PolarHBondContact N-O 3Å; A71-T93 HydrophobicContact CB-CG2 4.02Å; A71-A94 PolarHBondContact O-N 3Å; A71-A94 VanDerWaalsContact O-N 3.07Å; A71-L264 HydrophobicContact CB-CD1 3.57Å
72	A	98.8	Very high	98.3	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.025	10%	0.095	C	C	.	.			trans	-65.4	145.1	-176.7	0	0	0	0	0	112.3	M74 T77 G78 M259 M260	A72-M74 HydrophobicContact CB-CG 4.16Å; A72-M74 HydrophobicContact CB-SD 4.48Å; A72-M74 PolarHBondContact O-N 2.99Å; A72-T77 PolarHBondContact O-OG1 3.35Å; A72-G78 WeakPolarHBondContact O-CA 3.25Å; A72-G78 PolarHBondContact O-N 3.08Å; A72-M259 HydrophobicContact CB-CG 3.65Å; A72-M259 HydrophobicContact CB-SD 3.88Å; A72-M260 PolarHBondContact N-O 2.7Å
73	N	98.6	Very high	98.3	Very high	18 Å²	18	14.8 Å²	14.8	10%	0.096	8%	0.081	C	C	.	.	S	Bend	trans	-72.7	30.2	-179.1	62.1	-56.1	0	0	0	114.9	A94 H96 S121 D148	N73-A94 WeakPolarHBondContact CA-O 3.32Å; N73-A94 HydrophobicContact CB-CB 3.87Å; N73-A94 PolarHBondContact N-O 3.46Å; N73-H96 WeakPolarHBondContact O-CA 3.49Å; N73-H96 WeakPolarHBondContact O-CB 3.41Å; N73-S121 WeakPolarHBondContact CB-OG 3.32Å; N73-D148 PolarHBondContact ND2-OD2 2.88Å
74	M	97.8	Very high	98.3	Very high	26 Å²	26	15 Å²	15	13%	0.128	8%	0.075	C	C	.	.	S	Bend	trans	-80	147	171.1	-49	177	61.6	0	0	109.3	A72 T76 T77 G78 V204 F285 Y286 M288	A72-M74 HydrophobicContact CB-CG 4.16Å; A72-M74 HydrophobicContact CB-SD 4.48Å; A72-M74 PolarHBondContact O-N 2.99Å; M74-T76 PolarHBondContact O-N 3.26Å; M74-T77 WeakPolarHBondContact CB-OG1 3.27Å; M74-T77 PolarHBondContact O-N 2.95Å; M74-G78 PolarHBondContact O-N 3.03Å; M74-V204 HydrophobicContact CE-CG2 3.92Å; M74-F285 HydrophobicContact CE-CD2 4.32Å; M74-F285 HydrophobicContact CE-CE2 3.37Å; M74-F285 HydrophobicContact CE-CZ 3.53Å; M74-F285 HydrophobicContact SD-CE2 3.68Å; M74-F285 HydrophobicContact SD-CZ 3.64Å; M74-Y286 WeakPolarHBondContact CE-O 3.33Å; M74-M288 HydrophobicContact CB-CG 4.26Å; M74-M288 HydrophobicContact CB-SD 4.05Å; M74-M288 HydrophobicContact CG-CG 4.25Å
75	D	95.7	Very high	98.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.7	-178.4	72.6	-25.5	0	0	0	114.3	H96 T271 Y286 M288 K296 Y297	D75-H96 HydrophobicContact CB-CB 4.37Å; D75-T271 VanDerWaalsContact O-CG2 3.27Å; D75-T271 WeakPolarHBondContact O-CG2 3.39Å; D75-T271 PolarHBondContact O-OG1 3.25Å; D75-Y286 VanDerWaalsContact CG-OH 3.25Å; D75-Y286 WeakPolarHBondContact OD1-CE2 3.35Å; D75-Y286 PolarHBondContact OD1-OH 3.43Å; D75-Y286 PolarHBondContact OD2-OH 3.13Å; D75-M288 HydrophobicContact CB-CE 4.21Å; D75-M288 HydrophobicContact CB-SD 4.36Å; D75-K296 IonicContact OD2-NZ 3.77Å; D75-K296 PolarHBondContact OD2-NZ 3.31Å; D75-Y297 HydrophobicContact CB-CE2 4.35Å; D75-Y297 VanDerWaalsContact CB-OH 3.3Å; D75-Y297 WeakPolarHBondContact CB-OH 3.27Å; D75-Y297 VanDerWaalsContact OD2-CE2 3.27Å; D75-Y297 WeakPolarHBondContact OD2-CE2 3.26Å; D75-Y297 VanDerWaalsContact OD2-CZ 3.3Å; D75-Y297 PolarHBondContact OD2-OH 3.32Å
76	T	95.8	Very high	98.3	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.018	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-16	175.9	44.5	0	0	0	0	113.9	M74 C270 T271 F285 Y286	M74-T76 PolarHBondContact O-N 3.26Å; T76-C270 VanDerWaalsContact O-CA 3.25Å; T76-C270 WeakPolarHBondContact O-CA 3.48Å; T76-C270 WeakPolarHBondContact O-CB 3.3Å; T76-C270 PolarHBondContact O-SG 3.28Å; T76-T271 WeakPolarHBondContact CA-OG1 3.22Å; T76-F285 VanDerWaalsContact OG1-CD2 3.3Å; T76-F285 WeakPolarHBondContact OG1-CD2 3.44Å; T76-Y286 HydrophobicContact CG2-CD1 4.44Å; T76-Y286 HydrophobicContact CG2-CE1 3.95Å
77	T	96.9	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-41.9	-174.8	55.5	0	0	0	0	113.9	A72 M74 T79 M82 A265 F285	A72-T77 PolarHBondContact O-OG1 3.35Å; M74-T77 WeakPolarHBondContact CB-OG1 3.27Å; M74-T77 PolarHBondContact O-N 2.95Å; T77-T79 PolarHBondContact O-N 3.35Å; T77-M82 VanDerWaalsContact O-CB 3.25Å; T77-M82 WeakPolarHBondContact O-CB 3.31Å; T77-M82 VanDerWaalsContact O-CG 3.3Å; T77-M82 WeakPolarHBondContact O-CG 3.34Å; T77-A265 HydrophobicContact CG2-CB 4.33Å; T77-F285 HydrophobicContact CG2-CE2 3.95Å
78	G	98.4	Very high	98.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-82.6	53.5	-178.1	0	0	0	0	0	112	A72 M74 A94 I95 H96	A72-G78 WeakPolarHBondContact O-CA 3.25Å; A72-G78 PolarHBondContact O-N 3.08Å; M74-G78 PolarHBondContact O-N 3.03Å; G78-A94 WeakPolarHBondContact CA-O 3.45Å; G78-I95 CarbonylContact O-C 3.59Å; G78-I95 VanDerWaalsContact O-CA 3.31Å; G78-I95 WeakPolarHBondContact O-CA 3.48Å; G78-H96 PolarHBondContact O-CD2 3.2Å; G78-H96 PolarHBondContact O-N 3.28Å
79	T	98.8	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.			trans	-93.8	163.1	-175.8	66.2	0	0	0	0	111.4	T77 E81 M82 A83 I95 Q269 T271	T77-T79 PolarHBondContact O-N 3.35Å; T79-E81 VanDerWaalsContact C-N 3.29Å; T79-E81 WeakPolarHBondContact CB-OE2 3.31Å; T79-E81 PolarHBondContact O-N 3.43Å; T79-M82 PolarHBondContact O-N 3.36Å; T79-M82 VanDerWaalsContact OG1-CB 3.27Å; T79-M82 WeakPolarHBondContact OG1-CB 3.45Å; T79-M82 PolarHBondContact OG1-N 3.05Å; T79-A83 PolarHBondContact O-N 3.29Å; T79-A83 VanDerWaalsContact O-N 3.11Å; T79-I95 WeakPolarHBondContact O-CD1 3.38Å; T79-Q269 PolarHBondContact OG1-O 3.04Å; T79-T271 HydrophobicContact CG2-CG2 3.65Å
80	F	98.8	Very high	98.1	Very high	13 Å²	13	24.9 Å²	24.9	6%	0.057	12%	0.122	C	C	.	.	H	α-helix	trans	-65.3	-35.6	172.2	-69.2	-43.7	0	0	0	111.9	M82 A83 K84 I95 Y99 D103 W104 F107	F80-M82 VanDerWaalsContact C-N 3.31Å; F80-M82 PolarHBondContact O-N 3.22Å; F80-A83 PolarHBondContact O-N 2.89Å; F80-K84 WeakPolarHBondContact O-CG 3.25Å; F80-K84 PolarHBondContact O-N 3.24Å; F80-I95 HydrophobicContact CD1-CD1 3.77Å; F80-I95 HydrophobicContact CD1-CG1 4.33Å; F80-I95 HydrophobicContact CD1-CG2 4.35Å; F80-I95 HydrophobicContact CE1-CD1 4.15Å; F80-I95 HydrophobicContact CE1-CG1 4.23Å; F80-I95 HydrophobicContact CE1-CG2 3.87Å; F80-I95 HydrophobicContact CZ-CG2 4.33Å; F80-Y99 HydrophobicContact CD1-CE2 4.36Å; F80-Y99 HydrophobicContact CD2-CD1 4.1Å; F80-Y99 AromaticContact CD2-CD2 3.75Å; F80-Y99 HydrophobicContact CD2-CD2 3.75Å; F80-Y99 AromaticContact CD2-CE1 3.83Å; F80-Y99 HydrophobicContact CD2-CE1 3.83Å; F80-Y99 AromaticContact CD2-CE2 3.44Å; F80-Y99 HydrophobicContact CD2-CE2 3.44Å; F80-Y99 VanDerWaalsContact CD2-CE2 3.44Å; F80-Y99 HydrophobicContact CD2-CG 4.07Å; F80-Y99 AromaticContact CD2-CZ 3.48Å; F80-Y99 VanDerWaalsContact CD2-CZ 3.48Å; F80-Y99 HydrophobicContact CE1-CD2 4.2Å; F80-Y99 HydrophobicContact CE1-CE2 4.44Å; F80-Y99 AromaticContact CE2-CD1 3.67Å; F80-Y99 HydrophobicContact CE2-CD1 3.67Å; F80-Y99 AromaticContact CE2-CD2 3.3Å; F80-Y99 HydrophobicContact CE2-CD2 3.3Å; F80-Y99 AromaticContact CE2-CE1 3.9Å; F80-Y99 HydrophobicContact CE2-CE1 3.9Å; F80-Y99 AromaticContact CE2-CE2 3.54Å; F80-Y99 HydrophobicContact CE2-CE2 3.54Å; F80-Y99 AromaticContact CE2-CG 3.36Å; F80-Y99 HydrophobicContact CE2-CG 3.36Å; F80-Y99 AromaticContact CE2-CZ 3.84Å; F80-Y99 HydrophobicContact CG-CD2 4.37Å; F80-Y99 AromaticContact CG-CE2 3.88Å; F80-Y99 HydrophobicContact CG-CE2 3.88Å; F80-Y99 AromaticContact CZ-CD2 3.55Å; F80-Y99 HydrophobicContact CZ-CD2 3.55Å; F80-Y99 HydrophobicContact CZ-CE2 4.05Å; F80-Y99 AromaticContact CZ-CG 3.84Å; F80-Y99 HydrophobicContact CZ-CG 3.84Å; F80-D103 HydrophobicContact CE2-CB 3.99Å; F80-W104 AromaticContact CE1-CD2 3.88Å; F80-W104 HydrophobicContact CE1-CD2 3.88Å; F80-W104 AromaticContact CE1-CE3 3.79Å; F80-W104 HydrophobicContact CE1-CE3 3.79Å; F80-W104 HydrophobicContact CE1-CH2 4.14Å; F80-W104 HydrophobicContact CE1-CZ2 4.2Å; F80-W104 AromaticContact CE1-CZ3 3.91Å; F80-W104 HydrophobicContact CE1-CZ3 3.91Å; F80-W104 AromaticContact CZ-CD2 3.7Å; F80-W104 HydrophobicContact CZ-CD2 3.7Å; F80-W104 AromaticContact CZ-CE2 3.9Å; F80-W104 HydrophobicContact CZ-CE3 4.05Å; F80-W104 AromaticContact CZ-CG 3.93Å; F80-W104 HydrophobicContact CZ-CG 3.93Å; F80-W104 HydrophobicContact CZ-CZ2 4.48Å; F80-F107 HydrophobicContact CB-CD2 3.55Å; F80-F107 HydrophobicContact CB-CE2 3.71Å; F80-F107 HydrophobicContact CB-CG 4.21Å; F80-F107 HydrophobicContact CB-CZ 4.49Å; F80-F107 HydrophobicContact CD1-CB 3.95Å; F80-F107 AromaticContact CD1-CD1 3.48Å; F80-F107 HydrophobicContact CD1-CD1 3.48Å; F80-F107 VanDerWaalsContact CD1-CD1 3.48Å; F80-F107 AromaticContact CD1-CD2 3.58Å; F80-F107 HydrophobicContact CD1-CD2 3.58Å; F80-F107 AromaticContact CD1-CE1 3.78Å; F80-F107 HydrophobicContact CD1-CE1 3.78Å; F80-F107 AromaticContact CD1-CE2 3.87Å; F80-F107 HydrophobicContact CD1-CE2 3.87Å; F80-F107 AromaticContact CD1-CG 3.36Å; F80-F107 HydrophobicContact CD1-CG 3.36Å; F80-F107 AromaticContact CD1-CZ 3.95Å; F80-F107 HydrophobicContact CD1-CZ 3.95Å; F80-F107 HydrophobicContact CD2-CB 4.1Å; F80-F107 HydrophobicContact CD2-CD2 4.35Å; F80-F107 HydrophobicContact CD2-CG 4.26Å; F80-F107 HydrophobicContact CE1-CB 3.95Å; F80-F107 AromaticContact CE1-CD1 3.58Å; F80-F107 HydrophobicContact CE1-CD1 3.58Å; F80-F107 HydrophobicContact CE1-CD2 4.37Å; F80-F107 HydrophobicContact CE1-CE1 4.16Å; F80-F107 AromaticContact CE1-CG 3.7Å; F80-F107 HydrophobicContact CE1-CG 3.7Å; F80-F107 HydrophobicContact CE2-CB 4.08Å; F80-F107 HydrophobicContact CG-CB 4.05Å; F80-F107 HydrophobicContact CG-CD1 4.29Å; F80-F107 AromaticContact CG-CD2 3.58Å; F80-F107 HydrophobicContact CG-CD2 3.58Å; F80-F107 HydrophobicContact CG-CE2 4.05Å; F80-F107 AromaticContact CG-CG 3.7Å; F80-F107 HydrophobicContact CG-CG 3.7Å; F80-F107 HydrophobicContact CZ-CB 4.02Å; F80-F107 HydrophobicContact CZ-CD1 4.44Å; F80-F107 HydrophobicContact CZ-CG 4.28Å
81	E	98.6	Very high	98.1	Very high	91 Å²	91	25.1 Å²	25.1	43%	0.425	12%	0.123	S	C	.	.	H	α-helix	trans	-62.8	-38.6	176.1	-65	71.8	-158.2	0	0	111.7	T79 Y99 Q269	T79-E81 VanDerWaalsContact C-N 3.29Å; T79-E81 WeakPolarHBondContact CB-OE2 3.31Å; T79-E81 PolarHBondContact O-N 3.43Å; E81-Y99 PolarHBondContact OE2-OH 3.41Å; E81-Q269 HydrophobicContact CB-CB 4.06Å; E81-Q269 HydrophobicContact CB-CG 4.25Å; E81-Q269 WeakPolarHBondContact O-CG 3.48Å
82	M	98.8	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65	-46.7	174.1	-173.5	67.1	65.7	0	0	110.6	A71 T77 T79 F80 K84 V85 L86 L264 Q269 V320	A71-M82 HydrophobicContact CB-CG 3.87Å; T77-M82 VanDerWaalsContact O-CB 3.25Å; T77-M82 WeakPolarHBondContact O-CB 3.31Å; T77-M82 VanDerWaalsContact O-CG 3.3Å; T77-M82 WeakPolarHBondContact O-CG 3.34Å; T79-M82 PolarHBondContact O-N 3.36Å; T79-M82 VanDerWaalsContact OG1-CB 3.27Å; T79-M82 WeakPolarHBondContact OG1-CB 3.45Å; T79-M82 PolarHBondContact OG1-N 3.05Å; F80-M82 VanDerWaalsContact C-N 3.31Å; F80-M82 PolarHBondContact O-N 3.22Å; M82-K84 VanDerWaalsContact C-N 3.27Å; M82-K84 PolarHBondContact O-N 2.97Å; M82-V85 PolarHBondContact O-N 3.11Å; M82-V85 VanDerWaalsContact O-N 3.1Å; M82-L86 HydrophobicContact CG-CD1 3.97Å; M82-L86 HydrophobicContact CG-CD2 4.16Å; M82-L86 PolarHBondContact O-N 2.98Å; M82-L86 HydrophobicContact SD-CD1 3.56Å; M82-L86 VanDerWaalsContact SD-CD1 3.56Å; M82-L264 HydrophobicContact CE-CB 4.08Å; M82-L264 HydrophobicContact SD-CD1 4.41Å; M82-Q269 HydrophobicContact CB-CB 4.36Å; M82-Q269 HydrophobicContact CE-CB 4.03Å; M82-Q269 HydrophobicContact SD-CB 4.38Å; M82-V320 HydrophobicContact CE-CB 4.48Å; M82-V320 HydrophobicContact CE-CG2 4.08Å; M82-V320 HydrophobicContact SD-CB 4.2Å; M82-V320 HydrophobicContact SD-CG1 3.86Å; M82-V320 HydrophobicContact SD-CG2 3.74Å
83	A	98.8	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.008	12%	0.122	C	C	.	.	H	α-helix	trans	-57.3	-39.8	178.9	0	0	0	0	0	112.6	T79 F80 V85 L86 S87 T93 I95 F107 V118	T79-A83 PolarHBondContact O-N 3.29Å; T79-A83 VanDerWaalsContact O-N 3.11Å; F80-A83 PolarHBondContact O-N 2.89Å; A83-V85 VanDerWaalsContact C-N 3.3Å; A83-V85 PolarHBondContact O-N 3.24Å; A83-L86 PolarHBondContact O-N 3.44Å; A83-S87 VanDerWaalsContact O-CB 3.27Å; A83-S87 WeakPolarHBondContact O-CB 3.25Å; A83-S87 PolarHBondContact O-N 2.69Å; A83-S87 PolarHBondContact O-OG 3.49Å; A83-T93 WeakPolarHBondContact CA-OG1 3.48Å; A83-T93 HydrophobicContact CB-CG2 4.09Å; A83-I95 HydrophobicContact CB-CD1 4.06Å; A83-F107 HydrophobicContact CB-CZ 4.02Å; A83-V118 HydrophobicContact CB-CG1 3.96Å
84	K	98.6	Very high	98.1	Very high	81 Å²	81	24.2 Å²	24.2	35%	0.352	12%	0.117	S	C	.	.	H	α-helix	trans	-61.6	-33.6	177.1	-71.4	168.3	61.6	162.7	0	114.1	F80 M82 S87 K88 F107 H111	F80-K84 WeakPolarHBondContact O-CG 3.25Å; F80-K84 PolarHBondContact O-N 3.24Å; M82-K84 VanDerWaalsContact C-N 3.27Å; M82-K84 PolarHBondContact O-N 2.97Å; K84-S87 PolarHBondContact O-OG 3.1Å; K84-K88 WeakPolarHBondContact O-CE 3.44Å; K84-F107 HydrophobicContact CD-CE2 4.46Å; K84-F107 HydrophobicContact CG-CE2 4.03Å; K84-H111 VanDerWaalsContact CE-CE1 3.44Å; K84-H111 WeakPolarHBondContact CE-CE1 3.41Å; K84-H111 VanDerWaalsContact CE-NE2 3.29Å; K84-H111 WeakPolarHBondContact CE-NE2 3.27Å; K84-H111 PolarHBondContact NZ-CE1 3.49Å; K84-H111 PolarHBondContact NZ-NE2 3.42Å
85	V	98.6	Very high	98.2	Very high	9 Å²	9	23 Å²	23	6%	0.055	11%	0.111	C	C	.	.	H	α-helix	trans	-83.3	-43.2	178.2	180	0	0	0	0	110.3	M82 A83 S87 K88 Q269 V320 E321	M82-V85 PolarHBondContact O-N 3.11Å; M82-V85 VanDerWaalsContact O-N 3.1Å; A83-V85 VanDerWaalsContact C-N 3.3Å; A83-V85 PolarHBondContact O-N 3.24Å; V85-S87 VanDerWaalsContact C-N 3.34Å; V85-S87 PolarHBondContact O-N 3.48Å; V85-K88 WeakPolarHBondContact O-CB 3.1Å; V85-K88 PolarHBondContact O-N 2.68Å; V85-Q269 HydrophobicContact CG2-CG 3.71Å; V85-V320 HydrophobicContact CB-CG1 3.78Å; V85-V320 HydrophobicContact CG1-CG1 3.54Å; V85-V320 HydrophobicContact CG2-CG1 4.21Å; V85-E321 HydrophobicContact CG1-CB 4.27Å
86	L	98.7	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.2	-35.5	-179.5	-92.5	59.2	0	0	0	112.8	A71 M82 A83 K88 H89 T90 L91 L264 V320 V324	A71-L86 HydrophobicContact CB-CD2 3.64Å; M82-L86 HydrophobicContact CG-CD1 3.97Å; M82-L86 HydrophobicContact CG-CD2 4.16Å; M82-L86 PolarHBondContact O-N 2.98Å; M82-L86 HydrophobicContact SD-CD1 3.56Å; M82-L86 VanDerWaalsContact SD-CD1 3.56Å; A83-L86 PolarHBondContact O-N 3.44Å; L86-K88 PolarHBondContact O-N 3.33Å; L86-H89 PolarHBondContact O-N 3.1Å; L86-T90 PolarHBondContact O-N 3.23Å; L86-L91 HydrophobicContact CB-CB 3.75Å; L86-L91 HydrophobicContact CD2-CB 4.14Å; L86-L91 HydrophobicContact CD2-CD2 4.39Å; L86-L91 HydrophobicContact CG-CB 3.78Å; L86-L91 HydrophobicContact CG-CD2 4.01Å; L86-L91 PolarHBondContact O-N 3.35Å; L86-L264 HydrophobicContact CD2-CD1 4.45Å; L86-V320 HydrophobicContact CD1-CG1 4.38Å; L86-V324 HydrophobicContact CD1-CG2 3.94Å
87	S	97.9	Very high	98.4	Very high	28 Å²	28	26.6 Å²	26.6	20%	0.196	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-60.4	-33	179.1	65.2	0	0	0	0	112.8	A83 K84 V85 H89 T90 C114	A83-S87 VanDerWaalsContact O-CB 3.27Å; A83-S87 WeakPolarHBondContact O-CB 3.25Å; A83-S87 PolarHBondContact O-N 2.69Å; A83-S87 PolarHBondContact O-OG 3.49Å; K84-S87 PolarHBondContact O-OG 3.1Å; V85-S87 VanDerWaalsContact C-N 3.34Å; V85-S87 PolarHBondContact O-N 3.48Å; S87-H89 PolarHBondContact O-N 3.1Å; S87-H89 VanDerWaalsContact O-N 3.08Å; S87-T90 PolarHBondContact O-N 2.95Å; S87-C114 PolarHBondContact OG-SG 3.2Å
88	K	98	Very high	98.4	Very high	154 Å²	154	29.1 Å²	29.1	67%	0.67	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-58.8	-23.2	175.5	-59.7	174.8	-174.7	175.1	0	113.2	K84 V85 L86	K84-K88 WeakPolarHBondContact O-CE 3.44Å; V85-K88 WeakPolarHBondContact O-CB 3.1Å; V85-K88 PolarHBondContact O-N 2.68Å; L86-K88 PolarHBondContact O-N 3.33Å
89	H	97.9	Very high	98.4	Very high	44 Å²	44	31 Å²	31	20%	0.204	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-109.9	9.1	179.1	-63.7	-83.9	0	0	0	112.6	I67 L86 S87 L91 E321 V324 L328	I67-H89 WeakPolarHBondContact CD1-O 3.43Å; L86-H89 PolarHBondContact O-N 3.1Å; S87-H89 PolarHBondContact O-N 3.1Å; S87-H89 VanDerWaalsContact O-N 3.08Å; H89-L91 HydrophobicContact CB-CD1 3.35Å; H89-L91 WeakPolarHBondContact O-CD1 3.48Å; H89-L91 PolarHBondContact O-N 3.46Å; H89-E321 IonicContact CD2-OE2 2.67Å; H89-E321 IonicContact CE1-OE1 3.87Å; H89-E321 PolarHBondContact CE1-OE1 2.9Å; H89-E321 IonicContact CE1-OE2 3.4Å; H89-E321 IonicContact NE2-OE1 2.77Å; H89-E321 PolarHBondContact NE2-OE1 3.06Å; H89-E321 IonicContact NE2-OE2 3.64Å; H89-E321 PolarHBondContact NE2-OE2 2.95Å; H89-V324 HydrophobicContact CB-CG1 4.32Å; H89-L328 HydrophobicContact CB-CD1 4.44Å
90	T	97.4	Very high	98.4	Very high	51 Å²	51	33.4 Å²	33.4	31%	0.313	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	28.4	-173.3	68.6	0	0	0	0	113.7	I67 L86 S87	I67-T90 PolarHBondContact N-O 3.41Å; L86-T90 PolarHBondContact O-N 3.23Å; S87-T90 PolarHBondContact O-N 2.95Å
91	L	98.6	Very high	98.4	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.17	C	C	.	.			trans	-80.9	167.7	168.9	-82.8	71.2	0	0	0	109.9	I67 I69 L86 H89 H117 V324 L328	I67-L91 HydrophobicContact CB-CD1 3.97Å; I67-L91 HydrophobicContact CB-CG 4.42Å; I67-L91 HydrophobicContact CD1-CD1 4.22Å; I67-L91 HydrophobicContact CG2-CD1 4.05Å; I67-L91 HydrophobicContact CG2-CG 4.32Å; I69-L91 HydrophobicContact CB-CD2 3.94Å; I69-L91 HydrophobicContact CB-CG 4.12Å; I69-L91 HydrophobicContact CG2-CD2 3.9Å; L86-L91 HydrophobicContact CB-CB 3.75Å; L86-L91 HydrophobicContact CD2-CB 4.14Å; L86-L91 HydrophobicContact CD2-CD2 4.39Å; L86-L91 HydrophobicContact CG-CB 3.78Å; L86-L91 HydrophobicContact CG-CD2 4.01Å; L86-L91 PolarHBondContact O-N 3.35Å; H89-L91 HydrophobicContact CB-CD1 3.35Å; H89-L91 WeakPolarHBondContact O-CD1 3.48Å; H89-L91 PolarHBondContact O-N 3.46Å; L91-H117 WeakPolarHBondContact O-CB 3.48Å; L91-V324 HydrophobicContact CD1-CG1 4.4Å; L91-V324 HydrophobicContact CD2-CG1 4.12Å; L91-V324 HydrophobicContact CD2-CG2 4.48Å; L91-L328 HydrophobicContact CD1-CD1 4.28Å; L91-L328 HydrophobicContact CD1-CD2 4.41Å
92	F	98.9	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	148.9	-173.8	-159.3	-73.6	0	0	0	111.4	Y64 I69 I70 A71 H117 A119 Y144 M174	Y64-F92 AromaticContact CE2-CD2 3.98Å; Y64-F92 HydrophobicContact CE2-CD2 3.98Å; I69-F92 PolarHBondContact O-N 3.28Å; I70-F92 CarbonylContact C-O 3.54Å; I70-F92 VanDerWaalsContact CA-O 3.3Å; I70-F92 WeakPolarHBondContact CA-O 3.34Å; I70-F92 HydrophobicContact CB-CB 4.5Å; I70-F92 HydrophobicContact CG1-CB 3.96Å; I70-F92 HydrophobicContact CG1-CD1 4.29Å; I70-F92 HydrophobicContact CG1-CG 4.32Å; I70-F92 HydrophobicContact CG2-CD1 4.01Å; A71-F92 PolarHBondContact N-O 3Å; F92-H117 CarbonylContact C-O 3.5Å; F92-H117 VanDerWaalsContact CA-O 3.29Å; F92-H117 WeakPolarHBondContact CA-O 3.44Å; F92-H117 HydrophobicContact CB-CB 4.46Å; F92-H117 HydrophobicContact CD2-CB 3.72Å; F92-H117 HydrophobicContact CE2-CB 4.22Å; F92-H117 HydrophobicContact CG-CB 4.27Å; F92-H117 WeakPolarHBondContact CG-O 3.31Å; F92-A119 HydrophobicContact CE1-CB 3.7Å; F92-A119 HydrophobicContact CZ-CB 4.04Å; F92-Y144 HydrophobicContact CE2-CD1 4.03Å; F92-Y144 AromaticContact CE2-CD2 3.88Å; F92-Y144 HydrophobicContact CE2-CD2 3.88Å; F92-Y144 HydrophobicContact CE2-CE1 4.15Å; F92-Y144 HydrophobicContact CE2-CE2 4.03Å; F92-Y144 AromaticContact CE2-CG 3.91Å; F92-Y144 HydrophobicContact CE2-CG 3.91Å; F92-Y144 AromaticContact CZ-CD1 3.93Å; F92-Y144 HydrophobicContact CZ-CD1 3.93Å; F92-Y144 AromaticContact CZ-CD2 3.84Å; F92-Y144 HydrophobicContact CZ-CD2 3.84Å; F92-Y144 HydrophobicContact CZ-CE2 4.45Å; F92-Y144 AromaticContact CZ-CG 3.58Å; F92-Y144 HydrophobicContact CZ-CG 3.58Å; F92-M174 HydrophobicContact CD1-CE 4.27Å; F92-M174 HydrophobicContact CE1-CE 3.67Å; F92-M174 HydrophobicContact CE2-CE 4.26Å; F92-M174 HydrophobicContact CZ-CE 3.67Å
93	T	98.9	Very high	98.4	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	120.2	171.7	-57.3	0	0	0	0	111.4	A71 A83 I95 H117 V118 A119	A71-T93 HydrophobicContact CB-CG2 4.02Å; A83-T93 WeakPolarHBondContact CA-OG1 3.48Å; A83-T93 HydrophobicContact CB-CG2 4.09Å; T93-I95 HydrophobicContact CG2-CD1 3.52Å; T93-I95 HydrophobicContact CG2-CG1 4.17Å; T93-I95 PolarHBondContact O-N 3.42Å; T93-H117 PolarHBondContact N-O 2.94Å; T93-V118 VanDerWaalsContact O-CA 3.23Å; T93-V118 WeakPolarHBondContact O-CA 3.42Å; T93-A119 PolarHBondContact O-N 3.27Å
94	A	98.9	Very high	98.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	109	163.7	0	0	0	0	0	107.2	I70 A71 N73 G78 C146 M259	I70-A94 HydrophobicContact CG2-CB 4.01Å; A71-A94 PolarHBondContact O-N 3Å; A71-A94 VanDerWaalsContact O-N 3.07Å; N73-A94 WeakPolarHBondContact CA-O 3.32Å; N73-A94 HydrophobicContact CB-CB 3.87Å; N73-A94 PolarHBondContact N-O 3.46Å; G78-A94 WeakPolarHBondContact CA-O 3.45Å; A94-C146 HydrophobicContact CB-CB 4.42Å; A94-M259 HydrophobicContact CB-CE 3.99Å
95	I	98.8	Very high	98.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	136.6	-174.8	-62.7	-72.1	0	0	0	109.3	G78 T79 F80 A83 T93 Y99 W104 V118 A119 S121	G78-I95 CarbonylContact O-C 3.59Å; G78-I95 VanDerWaalsContact O-CA 3.31Å; G78-I95 WeakPolarHBondContact O-CA 3.48Å; T79-I95 WeakPolarHBondContact O-CD1 3.38Å; F80-I95 HydrophobicContact CD1-CD1 3.77Å; F80-I95 HydrophobicContact CD1-CG1 4.33Å; F80-I95 HydrophobicContact CD1-CG2 4.35Å; F80-I95 HydrophobicContact CE1-CD1 4.15Å; F80-I95 HydrophobicContact CE1-CG1 4.23Å; F80-I95 HydrophobicContact CE1-CG2 3.87Å; F80-I95 HydrophobicContact CZ-CG2 4.33Å; A83-I95 HydrophobicContact CB-CD1 4.06Å; T93-I95 HydrophobicContact CG2-CD1 3.52Å; T93-I95 HydrophobicContact CG2-CG1 4.17Å; T93-I95 PolarHBondContact O-N 3.42Å; I95-Y99 HydrophobicContact CG2-CD2 3.79Å; I95-Y99 HydrophobicContact CG2-CE2 4.19Å; I95-W104 HydrophobicContact CB-CH2 3.59Å; I95-W104 HydrophobicContact CB-CZ2 3.51Å; I95-W104 HydrophobicContact CG1-CH2 3.58Å; I95-W104 HydrophobicContact CG1-CZ2 4.02Å; I95-W104 HydrophobicContact CG1-CZ3 4.39Å; I95-W104 HydrophobicContact CG2-CH2 3.92Å; I95-W104 HydrophobicContact CG2-CZ2 3.43Å; I95-W104 VanDerWaalsContact CG2-CZ2 3.43Å; I95-V118 HydrophobicContact CG1-CB 4.4Å; I95-V118 HydrophobicContact CG1-CG1 4.47Å; I95-A119 PolarHBondContact N-O 2.92Å; I95-S121 WeakPolarHBondContact O-CB 3.47Å; I95-S121 PolarHBondContact O-OG 2.96Å
96	H	98.4	Very high	98.4	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.042	22%	0.219	C	C	.	.			trans	-61.3	151.9	179.1	69.5	79.6	0	0	0	112.1	N73 D75 G78 H98 Y99	N73-H96 WeakPolarHBondContact O-CA 3.49Å; N73-H96 WeakPolarHBondContact O-CB 3.41Å; D75-H96 HydrophobicContact CB-CB 4.37Å; G78-H96 PolarHBondContact O-CD2 3.2Å; G78-H96 PolarHBondContact O-N 3.28Å; H96-H98 WeakPolarHBondContact ND1-CB 3.44Å; H96-H98 AromaticContact ND1-CD2 3.81Å; H96-H98 PolarHBondContact ND1-N 3.38Å; H96-H98 PolarHBondContact O-N 2.95Å; H96-Y99 AromaticContact CD2-CE2 3.85Å; H96-Y99 AromaticContact CE1-CD2 3.44Å; H96-Y99 VanDerWaalsContact CE1-CD2 3.44Å; H96-Y99 WeakPolarHBondContact CE1-CD2 3.28Å; H96-Y99 AromaticContact CE1-CE2 3.48Å; H96-Y99 VanDerWaalsContact CE1-CE2 3.48Å; H96-Y99 WeakPolarHBondContact CE1-CE2 3.49Å; H96-Y99 AromaticContact CE1-CG 3.87Å; H96-Y99 AromaticContact CE1-CZ 3.94Å; H96-Y99 AromaticContact NE2-CD2 3.51Å; H96-Y99 AromaticContact NE2-CE2 3.05Å; H96-Y99 WeakPolarHBondContact NE2-CE2 3.29Å; H96-Y99 AromaticContact NE2-CZ 3.49Å
97	K	97.5	Very high	98.4	Very high	71 Å²	71	45.7 Å²	45.7	31%	0.309	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	10.7	-171.5	70.7	176.8	-174.1	174.2	0	116	S121 D128 K131	K97-S121 VanDerWaalsContact CB-O 3.29Å; K97-S121 WeakPolarHBondContact CB-O 3.09Å; K97-D128 IonicContact NZ-OD1 3.15Å; K97-D128 IonicContact NZ-OD2 3.63Å; K97-D128 PolarHBondContact NZ-OD2 3.32Å; K97-K131 PolarHBondContact O-NZ 3.22Å
98	H	97.2	Very high	98.4	Very high	54 Å²	54	45 Å²	45	25%	0.25	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-16.4	-167.8	-56.6	-72.7	0	0	0	114.9	H96 K131 M288 Y297	H96-H98 WeakPolarHBondContact ND1-CB 3.44Å; H96-H98 AromaticContact ND1-CD2 3.81Å; H96-H98 PolarHBondContact ND1-N 3.38Å; H96-H98 PolarHBondContact O-N 2.95Å; H98-K131 PolarHBondContact O-NZ 3.2Å; H98-M288 WeakPolarHBondContact NE2-CE 3.29Å; H98-Y297 HydrophobicContact CB-CE1 3.89Å; H98-Y297 AromaticContact CD2-CE1 3.96Å; H98-Y297 AromaticContact CD2-CE2 3.82Å; H98-Y297 AromaticContact CD2-CZ 3.58Å; H98-Y297 AromaticContact CE1-CD1 3.61Å; H98-Y297 AromaticContact CE1-CD2 3.52Å; H98-Y297 AromaticContact CE1-CE1 3.84Å; H98-Y297 AromaticContact CE1-CE2 3.76Å; H98-Y297 AromaticContact CE1-CG 3.43Å; H98-Y297 VanDerWaalsContact CE1-CG 3.43Å; H98-Y297 AromaticContact CE1-CZ 3.9Å; H98-Y297 AromaticContact CG-CD1 3.94Å; H98-Y297 AromaticContact CG-CE1 3.49Å; H98-Y297 VanDerWaalsContact CG-CE1 3.49Å; H98-Y297 AromaticContact CG-CZ 3.61Å; H98-Y297 AromaticContact ND1-CD1 3.35Å; H98-Y297 WeakPolarHBondContact ND1-CD1 3.48Å; H98-Y297 AromaticContact ND1-CE1 3.42Å; H98-Y297 WeakPolarHBondContact ND1-CE1 3.46Å; H98-Y297 AromaticContact ND1-CG 3.7Å; H98-Y297 AromaticContact ND1-CZ 3.82Å; H98-Y297 AromaticContact NE2-CD2 3.71Å; H98-Y297 AromaticContact NE2-CE2 3.56Å; H98-Y297 AromaticContact NE2-CZ 3.8Å
99	Y	98.4	Very high	98.4	Very high	39 Å²	39	41.3 Å²	41.3	15%	0.153	22%	0.216	C	C	.	.	S	Bend	trans	-64.5	147.8	171.4	-75.2	-60	0	0	0	112.5	F80 E81 I95 H96 D103 K131	F80-Y99 HydrophobicContact CD1-CE2 4.36Å; F80-Y99 HydrophobicContact CD2-CD1 4.1Å; F80-Y99 AromaticContact CD2-CD2 3.75Å; F80-Y99 HydrophobicContact CD2-CD2 3.75Å; F80-Y99 AromaticContact CD2-CE1 3.83Å; F80-Y99 HydrophobicContact CD2-CE1 3.83Å; F80-Y99 AromaticContact CD2-CE2 3.44Å; F80-Y99 HydrophobicContact CD2-CE2 3.44Å; F80-Y99 VanDerWaalsContact CD2-CE2 3.44Å; F80-Y99 HydrophobicContact CD2-CG 4.07Å; F80-Y99 AromaticContact CD2-CZ 3.48Å; F80-Y99 VanDerWaalsContact CD2-CZ 3.48Å; F80-Y99 HydrophobicContact CE1-CD2 4.2Å; F80-Y99 HydrophobicContact CE1-CE2 4.44Å; F80-Y99 AromaticContact CE2-CD1 3.67Å; F80-Y99 HydrophobicContact CE2-CD1 3.67Å; F80-Y99 AromaticContact CE2-CD2 3.3Å; F80-Y99 HydrophobicContact CE2-CD2 3.3Å; F80-Y99 AromaticContact CE2-CE1 3.9Å; F80-Y99 HydrophobicContact CE2-CE1 3.9Å; F80-Y99 AromaticContact CE2-CE2 3.54Å; F80-Y99 HydrophobicContact CE2-CE2 3.54Å; F80-Y99 AromaticContact CE2-CG 3.36Å; F80-Y99 HydrophobicContact CE2-CG 3.36Å; F80-Y99 AromaticContact CE2-CZ 3.84Å; F80-Y99 HydrophobicContact CG-CD2 4.37Å; F80-Y99 AromaticContact CG-CE2 3.88Å; F80-Y99 HydrophobicContact CG-CE2 3.88Å; F80-Y99 AromaticContact CZ-CD2 3.55Å; F80-Y99 HydrophobicContact CZ-CD2 3.55Å; F80-Y99 HydrophobicContact CZ-CE2 4.05Å; F80-Y99 AromaticContact CZ-CG 3.84Å; F80-Y99 HydrophobicContact CZ-CG 3.84Å; E81-Y99 PolarHBondContact OE2-OH 3.41Å; I95-Y99 HydrophobicContact CG2-CD2 3.79Å; I95-Y99 HydrophobicContact CG2-CE2 4.19Å; H96-Y99 AromaticContact CD2-CE2 3.85Å; H96-Y99 AromaticContact CE1-CD2 3.44Å; H96-Y99 VanDerWaalsContact CE1-CD2 3.44Å; H96-Y99 WeakPolarHBondContact CE1-CD2 3.28Å; H96-Y99 AromaticContact CE1-CE2 3.48Å; H96-Y99 VanDerWaalsContact CE1-CE2 3.48Å; H96-Y99 WeakPolarHBondContact CE1-CE2 3.49Å; H96-Y99 AromaticContact CE1-CG 3.87Å; H96-Y99 AromaticContact CE1-CZ 3.94Å; H96-Y99 AromaticContact NE2-CD2 3.51Å; H96-Y99 AromaticContact NE2-CE2 3.05Å; H96-Y99 WeakPolarHBondContact NE2-CE2 3.29Å; H96-Y99 AromaticContact NE2-CZ 3.49Å; Y99-D103 HydrophobicContact CD1-CB 3.94Å; Y99-D103 HydrophobicContact CG-CB 4.28Å; Y99-K131 WeakPolarHBondContact O-CE 3.21Å; Y99-K131 PolarHBondContact O-NZ 2.85Å
100	S	98.4	Very high	98.4	Very high	50 Å²	50	43.7 Å²	43.7	35%	0.35	23%	0.23	S	C	.	.			trans	-76.2	167.8	174.9	72.3	0	0	0	0	111.8	E102 D103 W104	S100-E102 PolarHBondContact O-N 3.47Å; S100-E102 PolarHBondContact OG-N 3.24Å; S100-D103 WeakPolarHBondContact CB-OD2 3.41Å; S100-D103 PolarHBondContact N-OD2 3.3Å; S100-D103 PolarHBondContact O-N 3.46Å; S100-D103 PolarHBondContact OG-N 2.94Å; S100-D103 VanDerWaalsContact OG-N 3.13Å; S100-D103 PolarHBondContact OG-OD2 2.97Å; S100-W104 PolarHBondContact O-N 3.14Å
101	V	98.6	Very high	98.5	Very high	34 Å²	34	43.3 Å²	43.3	21%	0.206	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-36.6	173.9	179.2	0	0	0	0	110.9	W104 K105 A134 I135 A138	V101-W104 WeakPolarHBondContact O-CB 3.27Å; V101-W104 PolarHBondContact O-N 2.74Å; V101-K105 WeakPolarHBondContact O-CG 3.32Å; V101-K105 PolarHBondContact O-N 3.47Å; V101-A134 HydrophobicContact CG2-CB 3.74Å; V101-I135 HydrophobicContact CG2-CG1 4.05Å; V101-A138 HydrophobicContact CG1-CB 3.71Å
102	E	98.6	Very high	98.4	Very high	116 Å²	116	46.9 Å²	46.9	54%	0.542	25%	0.248	S	C	.	.	H	α-helix	trans	-69.8	-36.7	178.7	-64.5	-53.9	126.1	0	0	112.1	S100 W104 K105 K106	S100-E102 PolarHBondContact O-N 3.47Å; S100-E102 PolarHBondContact OG-N 3.24Å; E102-W104 VanDerWaalsContact C-N 3.3Å; E102-W104 PolarHBondContact O-N 3.36Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.67Å; E102-K105 PolarHBondContact OE1-NZ 2.82Å; E102-K105 IonicContact OE2-NZ 3.12Å; E102-K106 WeakPolarHBondContact O-CB 3.29Å; E102-K106 PolarHBondContact O-N 3.31Å
103	D	98.7	Very high	98.2	Very high	68 Å²	68	52.5 Å²	52.5	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-61.3	-41.7	173.1	-59.4	-47.8	0	0	0	111.1	F80 Y99 S100 K106 F107	F80-D103 HydrophobicContact CE2-CB 3.99Å; Y99-D103 HydrophobicContact CD1-CB 3.94Å; Y99-D103 HydrophobicContact CG-CB 4.28Å; S100-D103 WeakPolarHBondContact CB-OD2 3.41Å; S100-D103 PolarHBondContact N-OD2 3.3Å; S100-D103 PolarHBondContact O-N 3.46Å; S100-D103 PolarHBondContact OG-N 2.94Å; S100-D103 VanDerWaalsContact OG-N 3.13Å; S100-D103 PolarHBondContact OG-OD2 2.97Å; D103-K106 PolarHBondContact O-N 3.13Å; D103-F107 WeakPolarHBondContact O-CB 3.38Å; D103-F107 PolarHBondContact O-N 3.07Å
104	W	98.8	Very high	98.1	Very high	3 Å²	3	52.5 Å²	52.5	1%	0.011	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-43.8	175	-87	100.6	0	0	0	112.8	F80 I95 S100 V101 E102 K106 F107 A108 V118 A120 I135 V139 L142	F80-W104 AromaticContact CE1-CD2 3.88Å; F80-W104 HydrophobicContact CE1-CD2 3.88Å; F80-W104 AromaticContact CE1-CE3 3.79Å; F80-W104 HydrophobicContact CE1-CE3 3.79Å; F80-W104 HydrophobicContact CE1-CH2 4.14Å; F80-W104 HydrophobicContact CE1-CZ2 4.2Å; F80-W104 AromaticContact CE1-CZ3 3.91Å; F80-W104 HydrophobicContact CE1-CZ3 3.91Å; F80-W104 AromaticContact CZ-CD2 3.7Å; F80-W104 HydrophobicContact CZ-CD2 3.7Å; F80-W104 AromaticContact CZ-CE2 3.9Å; F80-W104 HydrophobicContact CZ-CE3 4.05Å; F80-W104 AromaticContact CZ-CG 3.93Å; F80-W104 HydrophobicContact CZ-CG 3.93Å; F80-W104 HydrophobicContact CZ-CZ2 4.48Å; I95-W104 HydrophobicContact CB-CH2 3.59Å; I95-W104 HydrophobicContact CB-CZ2 3.51Å; I95-W104 HydrophobicContact CG1-CH2 3.58Å; I95-W104 HydrophobicContact CG1-CZ2 4.02Å; I95-W104 HydrophobicContact CG1-CZ3 4.39Å; I95-W104 HydrophobicContact CG2-CH2 3.92Å; I95-W104 HydrophobicContact CG2-CZ2 3.43Å; I95-W104 VanDerWaalsContact CG2-CZ2 3.43Å; S100-W104 PolarHBondContact O-N 3.14Å; V101-W104 WeakPolarHBondContact O-CB 3.27Å; V101-W104 PolarHBondContact O-N 2.74Å; E102-W104 VanDerWaalsContact C-N 3.3Å; E102-W104 PolarHBondContact O-N 3.36Å; W104-K106 VanDerWaalsContact C-N 3.33Å; W104-F107 PolarHBondContact O-N 2.87Å; W104-A108 VanDerWaalsContact O-CB 3.28Å; W104-A108 WeakPolarHBondContact O-CB 3.34Å; W104-A108 PolarHBondContact O-N 2.91Å; W104-V118 HydrophobicContact CZ3-CG2 4.46Å; W104-A120 HydrophobicContact CH2-CB 4.3Å; W104-A120 HydrophobicContact CZ2-CB 4.07Å; W104-I135 HydrophobicContact CB-CG2 4.23Å; W104-I135 HydrophobicContact CD2-CG2 3.81Å; W104-I135 HydrophobicContact CE3-CG2 4.4Å; W104-I135 HydrophobicContact CG-CD1 4.47Å; W104-I135 HydrophobicContact CG-CG1 4.25Å; W104-I135 HydrophobicContact CG-CG2 3.74Å; W104-V139 HydrophobicContact CB-CG2 4.32Å; W104-L142 HydrophobicContact CE3-CD1 3.85Å; W104-L142 HydrophobicContact CE3-CD2 4.37Å; W104-L142 HydrophobicContact CH2-CD1 4.39Å; W104-L142 HydrophobicContact CH2-CD2 4.44Å; W104-L142 HydrophobicContact CZ3-CD1 3.8Å; W104-L142 HydrophobicContact CZ3-CD2 3.72Å; W104-L142 HydrophobicContact CZ3-CG 4.41Å
105	K	98.6	Very high	98	Very high	85 Å²	85	53.1 Å²	53.1	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-45.7	175.3	-76	175.9	177.2	169.9	0	111.3	V101 E102 A108 A109 A138	V101-K105 WeakPolarHBondContact O-CG 3.32Å; V101-K105 PolarHBondContact O-N 3.47Å; E102-K105 PolarHBondContact O-N 3.32Å; E102-K105 IonicContact OE1-NZ 3.67Å; E102-K105 PolarHBondContact OE1-NZ 2.82Å; E102-K105 IonicContact OE2-NZ 3.12Å; K105-A108 PolarHBondContact O-N 2.81Å; K105-A109 WeakPolarHBondContact O-CB 3.32Å; K105-A109 PolarHBondContact O-N 3.39Å; K105-A138 HydrophobicContact CD-CB 4.42Å; K105-A138 HydrophobicContact CG-CB 3.99Å
106	K	98.7	Very high	97.9	Very high	137 Å²	137	59.3 Å²	59.3	60%	0.596	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-49.2	177.7	-177.1	176.9	178.8	-177.3	0	111	E102 D103 W104 A108 A109 D110	E102-K106 WeakPolarHBondContact O-CB 3.29Å; E102-K106 PolarHBondContact O-N 3.31Å; D103-K106 PolarHBondContact O-N 3.13Å; W104-K106 VanDerWaalsContact C-N 3.33Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 2.6Å; K106-A109 PolarHBondContact O-N 3.14Å; K106-D110 WeakPolarHBondContact CE-OD2 3.38Å; K106-D110 WeakPolarHBondContact CG-OD2 3.41Å; K106-D110 WeakPolarHBondContact O-CB 3.43Å; K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.15Å
107	F	98.7	Very high	97.9	Very high	10 Å²	10	59.6 Å²	59.6	4%	0.044	31%	0.308	C	S	.	.	H	α-helix	trans	-57.6	-44	176.5	177	-107.9	0	0	0	112.2	F80 A83 K84 D103 W104 A109 D110 H111 C114 L115	F80-F107 HydrophobicContact CB-CD2 3.55Å; F80-F107 HydrophobicContact CB-CE2 3.71Å; F80-F107 HydrophobicContact CB-CG 4.21Å; F80-F107 HydrophobicContact CB-CZ 4.49Å; F80-F107 HydrophobicContact CD1-CB 3.95Å; F80-F107 AromaticContact CD1-CD1 3.48Å; F80-F107 HydrophobicContact CD1-CD1 3.48Å; F80-F107 VanDerWaalsContact CD1-CD1 3.48Å; F80-F107 AromaticContact CD1-CD2 3.58Å; F80-F107 HydrophobicContact CD1-CD2 3.58Å; F80-F107 AromaticContact CD1-CE1 3.78Å; F80-F107 HydrophobicContact CD1-CE1 3.78Å; F80-F107 AromaticContact CD1-CE2 3.87Å; F80-F107 HydrophobicContact CD1-CE2 3.87Å; F80-F107 AromaticContact CD1-CG 3.36Å; F80-F107 HydrophobicContact CD1-CG 3.36Å; F80-F107 AromaticContact CD1-CZ 3.95Å; F80-F107 HydrophobicContact CD1-CZ 3.95Å; F80-F107 HydrophobicContact CD2-CB 4.1Å; F80-F107 HydrophobicContact CD2-CD2 4.35Å; F80-F107 HydrophobicContact CD2-CG 4.26Å; F80-F107 HydrophobicContact CE1-CB 3.95Å; F80-F107 AromaticContact CE1-CD1 3.58Å; F80-F107 HydrophobicContact CE1-CD1 3.58Å; F80-F107 HydrophobicContact CE1-CD2 4.37Å; F80-F107 HydrophobicContact CE1-CE1 4.16Å; F80-F107 AromaticContact CE1-CG 3.7Å; F80-F107 HydrophobicContact CE1-CG 3.7Å; F80-F107 HydrophobicContact CE2-CB 4.08Å; F80-F107 HydrophobicContact CG-CB 4.05Å; F80-F107 HydrophobicContact CG-CD1 4.29Å; F80-F107 AromaticContact CG-CD2 3.58Å; F80-F107 HydrophobicContact CG-CD2 3.58Å; F80-F107 HydrophobicContact CG-CE2 4.05Å; F80-F107 AromaticContact CG-CG 3.7Å; F80-F107 HydrophobicContact CG-CG 3.7Å; F80-F107 HydrophobicContact CZ-CB 4.02Å; F80-F107 HydrophobicContact CZ-CD1 4.44Å; F80-F107 HydrophobicContact CZ-CG 4.28Å; A83-F107 HydrophobicContact CB-CZ 4.02Å; K84-F107 HydrophobicContact CD-CE2 4.46Å; K84-F107 HydrophobicContact CG-CE2 4.03Å; D103-F107 WeakPolarHBondContact O-CB 3.38Å; D103-F107 PolarHBondContact O-N 3.07Å; W104-F107 PolarHBondContact O-N 2.87Å; F107-A109 VanDerWaalsContact C-N 3.35Å; F107-A109 PolarHBondContact O-N 2.76Å; F107-D110 PolarHBondContact O-N 3.28Å; F107-H111 HydrophobicContact CD2-CB 4.22Å; F107-H111 HydrophobicContact CE2-CB 3.95Å; F107-H111 HydrophobicContact CZ-CB 4.38Å; F107-H111 WeakPolarHBondContact O-CA 3.28Å; F107-H111 WeakPolarHBondContact O-CB 3.45Å; F107-H111 PolarHBondContact O-N 3.23Å; F107-C114 HydrophobicContact CE1-CB 4.11Å; F107-C114 HydrophobicContact CE2-CB 4.47Å; F107-C114 HydrophobicContact CZ-CB 3.58Å; F107-L115 HydrophobicContact CD1-CD2 4.15Å; F107-L115 HydrophobicContact CE1-CD2 4.06Å
108	A	98.4	Very high	98	Very high	15 Å²	15	56.3 Å²	56.3	12%	0.124	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-34.9	178.6	0	0	0	0	0	113.4	W104 K105 K106 L115 V139	W104-A108 VanDerWaalsContact O-CB 3.28Å; W104-A108 WeakPolarHBondContact O-CB 3.34Å; W104-A108 PolarHBondContact O-N 2.91Å; K105-A108 PolarHBondContact O-N 2.81Å; K106-A108 VanDerWaalsContact C-N 3.31Å; K106-A108 PolarHBondContact O-N 2.6Å; A108-L115 HydrophobicContact CB-CD1 3.75Å; A108-L115 HydrophobicContact CB-CD2 4.02Å; A108-L115 HydrophobicContact CB-CG 4.48Å; A108-V139 HydrophobicContact CB-CB 4.45Å; A108-V139 HydrophobicContact CB-CG1 3.52Å; A108-V139 HydrophobicContact CB-CG2 4Å
109	A	98.3	Very high	98	Very high	76 Å²	76	53.8 Å²	53.8	63%	0.628	28%	0.282	S	S	*	.	H	α-helix	trans	-72.9	-43	176.3	0	0	0	0	0	112	K105 K106 F107	K105-A109 WeakPolarHBondContact O-CB 3.32Å; K105-A109 PolarHBondContact O-N 3.39Å; K106-A109 PolarHBondContact O-N 3.14Å; F107-A109 VanDerWaalsContact C-N 3.35Å; F107-A109 PolarHBondContact O-N 2.76Å
110	D	98.4	Very high	98.1	Very high	94 Å²	94	52 Å²	52	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-78.4	-30.2	-176.5	-66.9	-14.2	0	0	0	112.3	K106 F107	K106-D110 WeakPolarHBondContact CE-OD2 3.38Å; K106-D110 WeakPolarHBondContact CG-OD2 3.41Å; K106-D110 WeakPolarHBondContact O-CB 3.43Å; K106-D110 VanDerWaalsContact O-CG 3.31Å; K106-D110 PolarHBondContact O-N 3.15Å; F107-D110 PolarHBondContact O-N 3.28Å
111	H	97.9	Very high	98.1	Very high	42 Å²	42	50 Å²	50	19%	0.194	26%	0.262	C	S	.	.			trans	-137.3	56.7	-171.9	-61.6	-59.2	0	0	0	113.5	K84 F107 E113 C114	K84-H111 VanDerWaalsContact CE-CE1 3.44Å; K84-H111 WeakPolarHBondContact CE-CE1 3.41Å; K84-H111 VanDerWaalsContact CE-NE2 3.29Å; K84-H111 WeakPolarHBondContact CE-NE2 3.27Å; K84-H111 PolarHBondContact NZ-CE1 3.49Å; K84-H111 PolarHBondContact NZ-NE2 3.42Å; F107-H111 HydrophobicContact CD2-CB 4.22Å; F107-H111 HydrophobicContact CE2-CB 3.95Å; F107-H111 HydrophobicContact CZ-CB 4.38Å; F107-H111 WeakPolarHBondContact O-CA 3.28Å; F107-H111 WeakPolarHBondContact O-CB 3.45Å; F107-H111 PolarHBondContact O-N 3.23Å; H111-E113 WeakPolarHBondContact CA-OE2 3.46Å; H111-E113 IonicContact CG-OE1 3.85Å; H111-E113 IonicContact ND1-OE1 3.96Å; H111-E113 PolarHBondContact ND1-OE1 3.43Å; H111-E113 PolarHBondContact O-N 2.98Å; H111-C114 HydrophobicContact CB-CB 4.38Å; H111-C114 WeakPolarHBondContact O-CB 3.21Å; H111-C114 PolarHBondContact O-N 3.34Å
112	P	97.3	Very high	98.1	Very high	80 Å²	80	48.6 Å²	48.6	52%	0.519	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-59.7	-28.7	-178.4	26.1	-35.5	0	0	0	113.3	C114 L115	P112-C114 PolarHBondContact O-N 3.28Å; P112-L115 WeakPolarHBondContact O-CB 3.3Å; P112-L115 PolarHBondContact O-N 3.29Å
113	E	94.8	Very high	98	Very high	118 Å²	118	43.2 Å²	43.2	55%	0.551	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-63.3	-21.1	177	74	-72.4	171.3	0	0	113.7	H111	H111-E113 WeakPolarHBondContact CA-OE2 3.46Å; H111-E113 IonicContact CG-OE1 3.85Å; H111-E113 IonicContact ND1-OE1 3.96Å; H111-E113 PolarHBondContact ND1-OE1 3.43Å; H111-E113 PolarHBondContact O-N 2.98Å
114	C	96.8	Very high	97.7	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.014	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-83.4	-16.7	179.8	-65	0	0	0	0	112.8	S87 F107 H111 P112 E116 H117 V118	S87-C114 PolarHBondContact OG-SG 3.2Å; F107-C114 HydrophobicContact CE1-CB 4.11Å; F107-C114 HydrophobicContact CE2-CB 4.47Å; F107-C114 HydrophobicContact CZ-CB 3.58Å; H111-C114 HydrophobicContact CB-CB 4.38Å; H111-C114 WeakPolarHBondContact O-CB 3.21Å; H111-C114 PolarHBondContact O-N 3.34Å; P112-C114 PolarHBondContact O-N 3.28Å; C114-E116 VanDerWaalsContact C-N 3.3Å; C114-E116 PolarHBondContact O-N 3.48Å; C114-H117 PolarHBondContact O-N 3.41Å; C114-V118 WeakPolarHBondContact O-CG1 3.05Å
115	L	97.5	Very high	97.5	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.068	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-70.8	-21.4	-166.4	-61.8	179.1	0	0	0	114.4	F107 A108 P112 H117 V118 V139 A141 L142	F107-L115 HydrophobicContact CD1-CD2 4.15Å; F107-L115 HydrophobicContact CE1-CD2 4.06Å; A108-L115 HydrophobicContact CB-CD1 3.75Å; A108-L115 HydrophobicContact CB-CD2 4.02Å; A108-L115 HydrophobicContact CB-CG 4.48Å; P112-L115 WeakPolarHBondContact O-CB 3.3Å; P112-L115 PolarHBondContact O-N 3.29Å; L115-H117 VanDerWaalsContact C-N 3.32Å; L115-H117 PolarHBondContact O-N 2.88Å; L115-V118 HydrophobicContact CD2-CG2 4.31Å; L115-V118 WeakPolarHBondContact O-CG2 3.45Å; L115-V139 HydrophobicContact CD1-CG1 4.11Å; L115-V139 HydrophobicContact CD2-CG1 4.38Å; L115-A141 HydrophobicContact CB-CB 4.28Å; L115-A141 HydrophobicContact CD1-CB 3.84Å; L115-L142 HydrophobicContact CD2-CD2 4.07Å
116	E	96.7	Very high	97.3	Very high	130 Å²	130	44 Å²	44	61%	0.607	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-64.2	-36	-179.1	-171.9	179.3	-171.1	0	0	112.6	C114 Y144	C114-E116 VanDerWaalsContact C-N 3.3Å; C114-E116 PolarHBondContact O-N 3.48Å; E116-Y144 VanDerWaalsContact O-CE2 3.31Å; E116-Y144 WeakPolarHBondContact O-CE2 3.23Å
117	H	98.1	Very high	97.1	Very high	15 Å²	15	41 Å²	41	7%	0.069	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-121.8	43.8	-172.8	-63.6	136.5	0	0	0	112.7	Y64 T65 L91 F92 T93 C114 L115	Y64-H117 AromaticContact CD2-CD2 3.67Å; Y64-H117 AromaticContact CD2-NE2 3.67Å; Y64-H117 AromaticContact CE2-CD2 3.38Å; Y64-H117 WeakPolarHBondContact CE2-CD2 3.2Å; Y64-H117 AromaticContact CE2-NE2 3.47Å; Y64-H117 WeakPolarHBondContact CE2-NE2 3.3Å; T65-H117 PolarHBondContact O-CE1 2.85Å; T65-H117 VanDerWaalsContact O-CE1 3.23Å; T65-H117 PolarHBondContact O-NE2 3.48Å; L91-H117 WeakPolarHBondContact O-CB 3.48Å; F92-H117 CarbonylContact C-O 3.5Å; F92-H117 VanDerWaalsContact CA-O 3.29Å; F92-H117 WeakPolarHBondContact CA-O 3.44Å; F92-H117 HydrophobicContact CB-CB 4.46Å; F92-H117 HydrophobicContact CD2-CB 3.72Å; F92-H117 HydrophobicContact CE2-CB 4.22Å; F92-H117 HydrophobicContact CG-CB 4.27Å; F92-H117 WeakPolarHBondContact CG-O 3.31Å; T93-H117 PolarHBondContact N-O 2.94Å; C114-H117 PolarHBondContact O-N 3.41Å; L115-H117 VanDerWaalsContact C-N 3.32Å; L115-H117 PolarHBondContact O-N 2.88Å
118	V	98.6	Very high	96.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.1	172	-66.6	0	0	0	0	111.5	A83 T93 I95 W104 C114 L115 L142	A83-V118 HydrophobicContact CB-CG1 3.96Å; T93-V118 VanDerWaalsContact O-CA 3.23Å; T93-V118 WeakPolarHBondContact O-CA 3.42Å; I95-V118 HydrophobicContact CG1-CB 4.4Å; I95-V118 HydrophobicContact CG1-CG1 4.47Å; W104-V118 HydrophobicContact CZ3-CG2 4.46Å; C114-V118 WeakPolarHBondContact O-CG1 3.05Å; L115-V118 HydrophobicContact CD2-CG2 4.31Å; L115-V118 WeakPolarHBondContact O-CG2 3.45Å; V118-L142 HydrophobicContact CG2-CD2 3.52Å
119	A	98.9	Very high	96.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.9	172.7	0	0	0	0	0	110.9	F92 T93 I95 Y144 C146	F92-A119 HydrophobicContact CE1-CB 3.7Å; F92-A119 HydrophobicContact CZ-CB 4.04Å; T93-A119 PolarHBondContact O-N 3.27Å; I95-A119 PolarHBondContact N-O 2.92Å; A119-Y144 WeakPolarHBondContact CA-O 3.43Å; A119-C146 HydrophobicContact CB-CB 4.14Å
120	A	98.8	Very high	96.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.8	167.3	0	0	0	0	0	109.4	W104 L132 I135 L136 Y144 I145 C146	W104-A120 HydrophobicContact CH2-CB 4.3Å; W104-A120 HydrophobicContact CZ2-CB 4.07Å; A120-L132 HydrophobicContact CB-CD1 3.7Å; A120-I135 HydrophobicContact CB-CG2 4.22Å; A120-L136 HydrophobicContact CB-CD2 4.34Å; A120-Y144 PolarHBondContact N-O 3.39Å; A120-I145 WeakPolarHBondContact O-CA 3.38Å; A120-C146 PolarHBondContact O-N 3.41Å
121	S	98.8	Very high	96.9	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.07	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.7	-177.6	-53.1	0	0	0	0	112.9	N73 I95 K97 C146	N73-S121 WeakPolarHBondContact CB-OG 3.32Å; I95-S121 WeakPolarHBondContact O-CB 3.47Å; I95-S121 PolarHBondContact O-OG 2.96Å; K97-S121 VanDerWaalsContact CB-O 3.29Å; K97-S121 WeakPolarHBondContact CB-O 3.09Å; S121-C146 CarbonylContact C-O 3.55Å; S121-C146 WeakPolarHBondContact CA-O 3.45Å
122	S	98.4	Very high	96.9	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.5	177.7	-167.5	0	0	0	0	111	D128 C146 L147 D148	S122-D128 VanDerWaalsContact OG-C 3.26Å; S122-D128 WeakPolarHBondContact OG-CB 3.41Å; S122-D128 PolarHBondContact OG-O 2.82Å; S122-C146 PolarHBondContact N-O 2.99Å; S122-L147 WeakPolarHBondContact O-CA 3.32Å; S122-D148 PolarHBondContact O-N 3.06Å
123	G	95.9	Very high	97	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	21%	0.213	C	C	.	.			trans	-83	-155	165.5	0	0	0	0	0	110.8	D128 F160	G123-D128 WeakPolarHBondContact CA-OD2 3.46Å; G123-D128 PolarHBondContact N-OD2 3.49Å; G123-F160 WeakPolarHBondContact O-CE1 3.46Å; G123-F160 WeakPolarHBondContact O-CZ 3.16Å
124	S	93.9	Very high	97.1	Very high	29 Å²	29	34.7 Å²	34.7	20%	0.203	20%	0.2	C	C	.	.	S	Bend	trans	-106.9	6	179	60.3	0	0	0	0	114.5	Y156	S124-Y156 VanDerWaalsContact O-CE1 3.32Å; S124-Y156 WeakPolarHBondContact O-CE1 3.48Å; S124-Y156 PolarHBondContact O-OH 2.96Å; S124-Y156 VanDerWaalsContact O-OH 3.07Å
125	G	93.4	Very high	97.2	Very high	29 Å²	29	34.9 Å²	34.9	30%	0.299	20%	0.201	S	C	.	.	S	Bend	trans	-84.5	154.2	-179.6	0	0	0	0	0	113.3	A127 D128 L129	G125-A127 PolarHBondContact O-N 3.05Å; G125-D128 WeakPolarHBondContact O-CB 3.3Å; G125-D128 PolarHBondContact O-N 2.79Å; G125-D128 VanDerWaalsContact O-N 3.11Å; G125-L129 PolarHBondContact O-N 3.13Å
126	N	94.3	Very high	97.3	Very high	115 Å²	115	34.7 Å²	34.7	62%	0.615	20%	0.2	S	C	*	.	H	α-helix	trans	-57.2	-44.5	179.8	-70.5	-11	0	0	0	113.1	D128 L129 E130	N126-D128 VanDerWaalsContact C-N 3.32Å; N126-D128 PolarHBondContact O-N 2.94Å; N126-L129 WeakPolarHBondContact O-CB 3.46Å; N126-L129 PolarHBondContact O-N 2.66Å; N126-L129 VanDerWaalsContact O-N 3.15Å; N126-E130 WeakPolarHBondContact O-CG 3.36Å; N126-E130 PolarHBondContact O-N 2.82Å
127	A	95.4	Very high	97.4	Very high	73 Å²	73	35 Å²	35	60%	0.603	20%	0.201	S	C	*	.	H	α-helix	trans	-63.5	-36.7	177.7	0	0	0	0	0	112.7	G125 L129 K131	G125-A127 PolarHBondContact O-N 3.05Å; A127-L129 VanDerWaalsContact C-N 3.33Å; A127-K131 WeakPolarHBondContact O-CB 3.5Å; A127-K131 PolarHBondContact O-N 3.03Å
128	D	95.1	Very high	97.4	Very high	42 Å²	42	36 Å²	36	23%	0.225	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-36.9	175.1	-85.9	-13.4	0	0	0	111	K97 S122 G123 G125 N126 L132	K97-D128 IonicContact NZ-OD1 3.15Å; K97-D128 IonicContact NZ-OD2 3.63Å; K97-D128 PolarHBondContact NZ-OD2 3.32Å; S122-D128 VanDerWaalsContact OG-C 3.26Å; S122-D128 WeakPolarHBondContact OG-CB 3.41Å; S122-D128 PolarHBondContact OG-O 2.82Å; G123-D128 WeakPolarHBondContact CA-OD2 3.46Å; G123-D128 PolarHBondContact N-OD2 3.49Å; G125-D128 WeakPolarHBondContact O-CB 3.3Å; G125-D128 PolarHBondContact O-N 2.79Å; G125-D128 VanDerWaalsContact O-N 3.11Å; N126-D128 VanDerWaalsContact C-N 3.32Å; N126-D128 PolarHBondContact O-N 2.94Å; D128-L132 WeakPolarHBondContact O-CB 3.2Å; D128-L132 PolarHBondContact O-N 2.93Å
129	L	96.9	Very high	97.4	Very high	18 Å²	18	36.3 Å²	36.3	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-44.4	175.4	-179.3	59.4	0	0	0	112.2	G125 N126 A127 K131 L132 C133 F160 T163 V164	G125-L129 PolarHBondContact O-N 3.13Å; N126-L129 WeakPolarHBondContact O-CB 3.46Å; N126-L129 PolarHBondContact O-N 2.66Å; N126-L129 VanDerWaalsContact O-N 3.15Å; A127-L129 VanDerWaalsContact C-N 3.33Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 2.82Å; L129-L132 PolarHBondContact O-N 3.15Å; L129-C133 PolarHBondContact O-N 2.93Å; L129-C133 PolarHBondContact O-SG 3.4Å; L129-F160 HydrophobicContact CB-CE2 3.95Å; L129-F160 HydrophobicContact CB-CZ 3.99Å; L129-F160 HydrophobicContact CD1-CE2 4.36Å; L129-F160 HydrophobicContact CD1-CZ 4.08Å; L129-F160 HydrophobicContact CD2-CE2 4Å; L129-F160 HydrophobicContact CG-CE2 4.33Å; L129-F160 HydrophobicContact CG-CZ 4.42Å; L129-T163 HydrophobicContact CD2-CG2 4.35Å; L129-V164 HydrophobicContact CD1-CG2 3.94Å
130	E	98.3	Very high	97.3	Very high	137 Å²	137	40.8 Å²	40.8	64%	0.64	24%	0.243	S	C	*	.	H	α-helix	trans	-58.9	-45.9	176.5	-74.9	170.7	-171.4	0	0	111.1	N126 C133 A134	N126-E130 WeakPolarHBondContact O-CG 3.36Å; N126-E130 PolarHBondContact O-N 2.82Å; E130-C133 WeakPolarHBondContact O-CB 3.48Å; E130-C133 PolarHBondContact O-N 3.21Å; E130-A134 PolarHBondContact O-N 3.08Å
131	K	98.4	Very high	97.2	Very high	63 Å²	63	43.3 Å²	43.3	27%	0.274	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-45.3	176	-175.1	178	-179	-179.6	0	112.1	K97 H98 Y99 A127 L129 C133 A134 I135	K97-K131 PolarHBondContact O-NZ 3.22Å; H98-K131 PolarHBondContact O-NZ 3.2Å; Y99-K131 WeakPolarHBondContact O-CE 3.21Å; Y99-K131 PolarHBondContact O-NZ 2.85Å; A127-K131 WeakPolarHBondContact O-CB 3.5Å; A127-K131 PolarHBondContact O-N 3.03Å; L129-K131 VanDerWaalsContact C-N 3.33Å; L129-K131 PolarHBondContact O-N 2.82Å; K131-C133 VanDerWaalsContact C-N 3.32Å; K131-C133 PolarHBondContact O-N 3.29Å; K131-A134 PolarHBondContact O-N 2.85Å; K131-I135 HydrophobicContact CG-CD1 4.01Å; K131-I135 WeakPolarHBondContact O-CG1 3.31Å; K131-I135 PolarHBondContact O-N 3.48Å
132	L	98.5	Very high	97.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-57.8	-46.1	175.1	176.6	66.7	0	0	0	111	A120 D128 L129 A134 I135 L136 I145 L147	A120-L132 HydrophobicContact CB-CD1 3.7Å; D128-L132 WeakPolarHBondContact O-CB 3.2Å; D128-L132 PolarHBondContact O-N 2.93Å; L129-L132 PolarHBondContact O-N 3.15Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 2.96Å; L132-I135 PolarHBondContact O-N 3.07Å; L132-L136 HydrophobicContact CD1-CD1 3.92Å; L132-L136 HydrophobicContact CD1-CG 4.07Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 HydrophobicContact CG-CG 4.43Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.12Å; L132-I145 HydrophobicContact CD1-CG2 4.3Å; L132-I145 HydrophobicContact CD2-CG2 3.73Å; L132-L147 HydrophobicContact CD2-CD2 4.33Å
133	C	98.4	Very high	97.2	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-59	-45.8	177.6	-66	0	0	0	0	111.7	L129 E130 K131 I135 L136 Q137 R167 F168	L129-C133 PolarHBondContact O-N 2.93Å; L129-C133 PolarHBondContact O-SG 3.4Å; E130-C133 WeakPolarHBondContact O-CB 3.48Å; E130-C133 PolarHBondContact O-N 3.21Å; K131-C133 VanDerWaalsContact C-N 3.32Å; K131-C133 PolarHBondContact O-N 3.29Å; C133-I135 VanDerWaalsContact C-N 3.35Å; C133-I135 PolarHBondContact O-N 2.97Å; C133-L136 PolarHBondContact O-N 3.44Å; C133-Q137 WeakPolarHBondContact O-CB 3.31Å; C133-Q137 WeakPolarHBondContact O-CG 3.33Å; C133-Q137 PolarHBondContact O-N 3.35Å; C133-R167 PolarHBondContact SG-NE 2.84Å; C133-F168 HydrophobicContact CB-CZ 4.24Å
134	A	98.7	Very high	97.3	Very high	34 Å²	34	46 Å²	46	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-40.8	178.7	0	0	0	0	0	112.1	V101 E130 K131 L132 A138	V101-A134 HydrophobicContact CG2-CB 3.74Å; E130-A134 PolarHBondContact O-N 3.08Å; K131-A134 PolarHBondContact O-N 2.85Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 2.96Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.34Å
135	I	98.8	Very high	97.5	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-51.5	176.2	-68.7	163.3	0	0	0	110.9	V101 W104 A120 K131 L132 C133 Q137 A138 V139 L142	V101-I135 HydrophobicContact CG2-CG1 4.05Å; W104-I135 HydrophobicContact CB-CG2 4.23Å; W104-I135 HydrophobicContact CD2-CG2 3.81Å; W104-I135 HydrophobicContact CE3-CG2 4.4Å; W104-I135 HydrophobicContact CG-CD1 4.47Å; W104-I135 HydrophobicContact CG-CG1 4.25Å; W104-I135 HydrophobicContact CG-CG2 3.74Å; A120-I135 HydrophobicContact CB-CG2 4.22Å; K131-I135 HydrophobicContact CG-CD1 4.01Å; K131-I135 WeakPolarHBondContact O-CG1 3.31Å; K131-I135 PolarHBondContact O-N 3.48Å; L132-I135 PolarHBondContact O-N 3.07Å; C133-I135 VanDerWaalsContact C-N 3.35Å; C133-I135 PolarHBondContact O-N 2.97Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3Å; I135-A138 PolarHBondContact O-N 3.03Å; I135-A138 VanDerWaalsContact O-N 3.17Å; I135-V139 PolarHBondContact O-N 2.97Å; I135-L142 HydrophobicContact CG2-CD1 3.7Å
136	L	98.5	Very high	97.8	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.042	25%	0.25	C	C	.	.	H	α-helix	trans	-67.2	-32.2	-177.1	-63.6	176.7	0	0	0	112.5	A120 L132 C133 V139 L142 I145 F168	A120-L136 HydrophobicContact CB-CD2 4.34Å; L132-L136 HydrophobicContact CD1-CD1 3.92Å; L132-L136 HydrophobicContact CD1-CG 4.07Å; L132-L136 HydrophobicContact CG-CD1 3.96Å; L132-L136 HydrophobicContact CG-CG 4.43Å; L132-L136 WeakPolarHBondContact O-CG 3.49Å; L132-L136 PolarHBondContact O-N 3.12Å; C133-L136 PolarHBondContact O-N 3.44Å; L136-V139 CarbonylContact O-C 3.54Å; L136-L142 HydrophobicContact CD2-CB 3.74Å; L136-L142 HydrophobicContact CD2-CD1 4.11Å; L136-I145 HydrophobicContact CD1-CD1 3.6Å; L136-I145 HydrophobicContact CD1-CG1 3.86Å; L136-F168 HydrophobicContact CB-CE1 4.14Å; L136-F168 HydrophobicContact CD1-CD1 3.86Å; L136-F168 HydrophobicContact CD1-CD2 4.28Å; L136-F168 HydrophobicContact CD1-CE1 3.65Å; L136-F168 HydrophobicContact CD1-CE2 4.09Å; L136-F168 HydrophobicContact CD1-CG 4.18Å; L136-F168 HydrophobicContact CD1-CZ 3.78Å
137	Q	98.2	Very high	98	Very high	138 Å²	138	37.8 Å²	37.8	65%	0.645	22%	0.221	S	C	*	.	H	α-helix	trans	-68.9	-40.6	171.9	-74.6	172.4	-2.6	0	0	112	C133 I135	C133-Q137 WeakPolarHBondContact O-CB 3.31Å; C133-Q137 WeakPolarHBondContact O-CG 3.33Å; C133-Q137 PolarHBondContact O-N 3.35Å; I135-Q137 VanDerWaalsContact C-N 3.31Å; I135-Q137 PolarHBondContact O-N 3Å
138	A	98.4	Very high	98.2	Very high	36 Å²	36	36.5 Å²	36.5	30%	0.298	20%	0.204	S	C	.	.	H	α-helix	trans	-72.5	-28.9	179.5	0	0	0	0	0	113.1	V101 K105 A134 I135	V101-A138 HydrophobicContact CG1-CB 3.71Å; K105-A138 HydrophobicContact CD-CB 4.42Å; K105-A138 HydrophobicContact CG-CB 3.99Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 3.34Å; I135-A138 PolarHBondContact O-N 3.03Å; I135-A138 VanDerWaalsContact O-N 3.17Å
139	V	98.4	Very high	98.3	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.042	20%	0.201	C	C	.	.			trans	-128.5	78.9	-179	-168.8	0	0	0	0	110.3	W104 A108 L115 I135 L136 A141 L142	W104-V139 HydrophobicContact CB-CG2 4.32Å; A108-V139 HydrophobicContact CB-CB 4.45Å; A108-V139 HydrophobicContact CB-CG1 3.52Å; A108-V139 HydrophobicContact CB-CG2 4Å; L115-V139 HydrophobicContact CD1-CG1 4.11Å; L115-V139 HydrophobicContact CD2-CG1 4.38Å; I135-V139 PolarHBondContact O-N 2.97Å; L136-V139 CarbonylContact O-C 3.54Å; V139-A141 PolarHBondContact O-N 2.83Å; V139-L142 HydrophobicContact CB-CD1 3.88Å; V139-L142 HydrophobicContact CB-CG 4.03Å; V139-L142 HydrophobicContact CG1-CD1 4.14Å; V139-L142 HydrophobicContact CG1-CG 3.8Å; V139-L142 WeakPolarHBondContact O-CB 3.15Å; V139-L142 PolarHBondContact O-N 3.03Å; V139-L142 VanDerWaalsContact O-N 3.07Å
140	P	97	Very high	98.1	Very high	95 Å²	95	38 Å²	38	62%	0.617	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-16.5	-175.8	-24.9	35	0	0	0	115.2	L142 Q143	P140-L142 VanDerWaalsContact C-N 3.25Å; P140-L142 PolarHBondContact O-N 3.2Å; P140-Q143 PolarHBondContact O-NE2 3.12Å
141	A	97.3	Very high	98	Very high	54 Å²	54	35.9 Å²	35.9	45%	0.446	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.4	176.6	0	0	0	0	0	112.9	L115 V139 Q143	L115-A141 HydrophobicContact CB-CB 4.28Å; L115-A141 HydrophobicContact CD1-CB 3.84Å; V139-A141 PolarHBondContact O-N 2.83Å; A141-Q143 PolarHBondContact O-N 2.77Å
142	L	98.3	Very high	98	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.201	C	C	.	.			trans	-68	120	175.5	-64.7	176.1	0	0	0	110.1	W104 L115 V118 I135 L136 V139 P140 H171	W104-L142 HydrophobicContact CE3-CD1 3.85Å; W104-L142 HydrophobicContact CE3-CD2 4.37Å; W104-L142 HydrophobicContact CH2-CD1 4.39Å; W104-L142 HydrophobicContact CH2-CD2 4.44Å; W104-L142 HydrophobicContact CZ3-CD1 3.8Å; W104-L142 HydrophobicContact CZ3-CD2 3.72Å; W104-L142 HydrophobicContact CZ3-CG 4.41Å; L115-L142 HydrophobicContact CD2-CD2 4.07Å; V118-L142 HydrophobicContact CG2-CD2 3.52Å; I135-L142 HydrophobicContact CG2-CD1 3.7Å; L136-L142 HydrophobicContact CD2-CB 3.74Å; L136-L142 HydrophobicContact CD2-CD1 4.11Å; V139-L142 HydrophobicContact CB-CD1 3.88Å; V139-L142 HydrophobicContact CB-CG 4.03Å; V139-L142 HydrophobicContact CG1-CD1 4.14Å; V139-L142 HydrophobicContact CG1-CG 3.8Å; V139-L142 WeakPolarHBondContact O-CB 3.15Å; V139-L142 PolarHBondContact O-N 3.03Å; V139-L142 VanDerWaalsContact O-N 3.07Å; P140-L142 VanDerWaalsContact C-N 3.25Å; P140-L142 PolarHBondContact O-N 3.2Å; L142-H171 PolarHBondContact O-CD2 2.7Å; L142-H171 PolarHBondContact O-NE2 3.07Å; L142-H171 VanDerWaalsContact O-NE2 3.11Å
143	Q	98.2	Very high	98	Very high	64 Å²	64	36.1 Å²	36.1	30%	0.299	21%	0.214	S	C	.	.			trans	-111	-2.2	-178.7	-61.6	-54.5	-49.2	0	0	113.8	P140 A141 H171 T172	P140-Q143 PolarHBondContact O-NE2 3.12Å; A141-Q143 PolarHBondContact O-N 2.77Å; Q143-H171 WeakPolarHBondContact O-CA 3.26Å; Q143-T172 PolarHBondContact O-N 2.78Å
144	Y	98.9	Very high	98	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.1	-174.6	-60.6	-96.5	0	0	0	112.1	F57 Y64 F92 E116 A119 A120 T172 M174	F57-Y144 AromaticContact CE2-CE1 3.66Å; F57-Y144 HydrophobicContact CE2-CE1 3.66Å; F57-Y144 HydrophobicContact CZ-CE1 4.09Å; Y64-Y144 WeakPolarHBondContact CB-OH 2.88Å; F92-Y144 HydrophobicContact CE2-CD1 4.03Å; F92-Y144 AromaticContact CE2-CD2 3.88Å; F92-Y144 HydrophobicContact CE2-CD2 3.88Å; F92-Y144 HydrophobicContact CE2-CE1 4.15Å; F92-Y144 HydrophobicContact CE2-CE2 4.03Å; F92-Y144 AromaticContact CE2-CG 3.91Å; F92-Y144 HydrophobicContact CE2-CG 3.91Å; F92-Y144 AromaticContact CZ-CD1 3.93Å; F92-Y144 HydrophobicContact CZ-CD1 3.93Å; F92-Y144 AromaticContact CZ-CD2 3.84Å; F92-Y144 HydrophobicContact CZ-CD2 3.84Å; F92-Y144 HydrophobicContact CZ-CE2 4.45Å; F92-Y144 AromaticContact CZ-CG 3.58Å; F92-Y144 HydrophobicContact CZ-CG 3.58Å; E116-Y144 VanDerWaalsContact O-CE2 3.31Å; E116-Y144 WeakPolarHBondContact O-CE2 3.23Å; A119-Y144 WeakPolarHBondContact CA-O 3.43Å; A120-Y144 PolarHBondContact N-O 3.39Å; Y144-T172 WeakPolarHBondContact CA-O 3.35Å; Y144-T172 HydrophobicContact CD1-CG2 3.73Å; Y144-T172 HydrophobicContact CE1-CG2 3.79Å; Y144-M174 HydrophobicContact CD1-CE 4.14Å
145	I	98.9	Very high	97.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	135.5	178.6	-59.7	173.7	0	0	0	108.3	A120 L132 L136 L147 V164 F168 H171 T172 I173 M174	A120-I145 WeakPolarHBondContact O-CA 3.38Å; L132-I145 HydrophobicContact CD1-CG2 4.3Å; L132-I145 HydrophobicContact CD2-CG2 3.73Å; L136-I145 HydrophobicContact CD1-CD1 3.6Å; L136-I145 HydrophobicContact CD1-CG1 3.86Å; I145-L147 HydrophobicContact CG2-CD2 3.49Å; I145-L147 VanDerWaalsContact CG2-CD2 3.49Å; I145-L147 HydrophobicContact CG2-CG 4.01Å; I145-V164 HydrophobicContact CD1-CG1 3.99Å; I145-V164 HydrophobicContact CG2-CG1 4.34Å; I145-F168 HydrophobicContact CD1-CB 3.88Å; I145-F168 HydrophobicContact CD1-CD2 3.87Å; I145-F168 HydrophobicContact CD1-CG 3.9Å; I145-H171 HydrophobicContact CD1-CB 3.73Å; I145-H171 HydrophobicContact CG1-CB 4.1Å; I145-T172 PolarHBondContact N-O 2.9Å; I145-I173 HydrophobicContact CB-CG1 4.41Å; I145-I173 HydrophobicContact CD1-CG1 4.45Å; I145-M174 PolarHBondContact O-N 3.48Å
146	C	98.9	Very high	97.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	101.9	174	-177.1	0	0	0	0	110.8	A94 A119 A120 S121 S122 M174	A94-C146 HydrophobicContact CB-CB 4.42Å; A119-C146 HydrophobicContact CB-CB 4.14Å; A120-C146 PolarHBondContact O-N 3.41Å; S121-C146 CarbonylContact C-O 3.55Å; S121-C146 WeakPolarHBondContact CA-O 3.45Å; S122-C146 PolarHBondContact N-O 2.99Å; C146-M174 HydrophobicContact CB-CB 4.49Å
147	L	98.9	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.7	174.6	-54	-173.7	0	0	0	109.1	S122 L132 I145 F157 F160 V161 V164 I173 M174 A175 G176	S122-L147 WeakPolarHBondContact O-CA 3.32Å; L132-L147 HydrophobicContact CD2-CD2 4.33Å; I145-L147 HydrophobicContact CG2-CD2 3.49Å; I145-L147 VanDerWaalsContact CG2-CD2 3.49Å; I145-L147 HydrophobicContact CG2-CG 4.01Å; L147-F157 HydrophobicContact CB-CE2 4Å; L147-F157 HydrophobicContact CB-CZ 4.02Å; L147-F160 HydrophobicContact CD1-CD1 4.15Å; L147-F160 HydrophobicContact CD1-CE1 4.21Å; L147-F160 HydrophobicContact CD2-CE1 3.95Å; L147-V161 HydrophobicContact CD1-CG2 3.98Å; L147-V164 HydrophobicContact CD1-CB 3.93Å; L147-V164 HydrophobicContact CD1-CG1 4.05Å; L147-V164 HydrophobicContact CD1-CG2 3.88Å; L147-V164 HydrophobicContact CD2-CG1 4.36Å; L147-V164 HydrophobicContact CD2-CG2 4.23Å; L147-I173 HydrophobicContact CD1-CG2 3.89Å; L147-I173 HydrophobicContact CG-CG2 4.13Å; L147-M174 PolarHBondContact N-O 2.88Å; L147-A175 HydrophobicContact CB-CB 4.41Å; L147-A175 WeakPolarHBondContact O-CA 3.35Å; L147-G176 PolarHBondContact O-N 2.8Å; L147-G176 VanDerWaalsContact O-N 3.11Å
148	D	98.4	Very high	97.9	Very high	46 Å²	46	42.5 Å²	42.5	25%	0.246	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	117	-167.9	-173.9	41.4	0	0	0	111.6	N73 S122 K196	N73-D148 PolarHBondContact ND2-OD2 2.88Å; S122-D148 PolarHBondContact O-N 3.06Å; D148-K196 WeakPolarHBondContact OD1-CE 3.35Å; D148-K196 IonicContact OD1-NZ 3.54Å; D148-K196 PolarHBondContact OD1-NZ 3.47Å; D148-K196 IonicContact OD2-NZ 2.99Å
149	V	96.9	Very high	97.9	Very high	27 Å²	27	44.9 Å²	44.9	16%	0.164	24%	0.243	C	C	.	.			trans	-135.8	154.9	174.4	-62.1	0	0	0	0	110.3	N151 F157 G176 N177	V149-N151 VanDerWaalsContact C-N 3.3Å; V149-N151 PolarHBondContact O-N 3.12Å; V149-F157 HydrophobicContact CB-CD2 4.33Å; V149-F157 HydrophobicContact CB-CE2 4.4Å; V149-F157 HydrophobicContact CG1-CD2 3.79Å; V149-F157 HydrophobicContact CG1-CE2 3.89Å; V149-F157 HydrophobicContact CG2-CB 4.33Å; V149-F157 HydrophobicContact CG2-CD1 3.95Å; V149-F157 HydrophobicContact CG2-CD2 3.52Å; V149-F157 HydrophobicContact CG2-CE1 4.08Å; V149-F157 HydrophobicContact CG2-CE2 3.67Å; V149-F157 HydrophobicContact CG2-CG 3.66Å; V149-F157 HydrophobicContact CG2-CZ 3.94Å; V149-G176 PolarHBondContact N-O 3.35Å; V149-G176 CarbonylContact O-C 3.51Å; V149-N177 PolarHBondContact O-N 3.36Å
150	A	93.3	Very high	97.9	Very high	65 Å²	65	45 Å²	45	54%	0.537	24%	0.243	S	C	.	.	S	Bend	trans	-65.6	-33.8	178.6	0	0	0	0	0	112.9
151	N	97.4	Very high	98	Very high	91 Å²	91	40.5 Å²	40.5	49%	0.487	21%	0.214	S	C	.	.			trans	-124.7	92.7	-178.5	-177.5	12.4	0	0	0	111	V149 Y153	V149-N151 VanDerWaalsContact C-N 3.3Å; V149-N151 PolarHBondContact O-N 3.12Å; N151-Y153 PolarHBondContact O-N 3.07Å; N151-Y153 VanDerWaalsContact OD1-CB 3.31Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.43Å; N151-Y153 WeakPolarHBondContact OD1-CD2 3.4Å; N151-Y153 PolarHBondContact OD1-N 3.04Å; N151-Y153 VanDerWaalsContact OD1-N 3.12Å
152	G	98.1	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.3	176.9	0	0	0	0	0	114.9	S154 N177	G152-S154 PolarHBondContact O-N 3.14Å; G152-N177 WeakPolarHBondContact CA-O 3.25Å; G152-N177 PolarHBondContact N-O 3.02Å
153	Y	98.3	Very high	98	Very high	71 Å²	71	44.2 Å²	44.2	28%	0.278	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2	177.7	-64.5	-97.7	0	0	0	113.6	N151 E155 V178 V179 T180 E182 M183 I199	N151-Y153 PolarHBondContact O-N 3.07Å; N151-Y153 VanDerWaalsContact OD1-CB 3.31Å; N151-Y153 WeakPolarHBondContact OD1-CB 3.43Å; N151-Y153 WeakPolarHBondContact OD1-CD2 3.4Å; N151-Y153 PolarHBondContact OD1-N 3.04Å; N151-Y153 VanDerWaalsContact OD1-N 3.12Å; Y153-E155 PolarHBondContact O-N 2.54Å; Y153-V178 HydrophobicContact CD2-CG1 4.35Å; Y153-V178 HydrophobicContact CE2-CB 3.97Å; Y153-V178 HydrophobicContact CE2-CG1 4.12Å; Y153-V179 HydrophobicContact CE2-CG2 4.44Å; Y153-V179 WeakPolarHBondContact OH-CG2 3.46Å; Y153-V179 PolarHBondContact OH-N 3.16Å; Y153-T180 VanDerWaalsContact CE1-OG1 3.27Å; Y153-T180 WeakPolarHBondContact CE1-OG1 3.18Å; Y153-T180 PolarHBondContact OH-N 3.35Å; Y153-T180 PolarHBondContact OH-OG1 3.49Å; Y153-E182 WeakPolarHBondContact CE1-OE1 3.27Å; Y153-M183 HydrophobicContact CD1-CB 3.81Å; Y153-M183 HydrophobicContact CD1-CG 3.63Å; Y153-M183 HydrophobicContact CD1-SD 3.85Å; Y153-M183 HydrophobicContact CE1-CB 3.51Å; Y153-M183 HydrophobicContact CE1-CG 3.84Å; Y153-M183 HydrophobicContact CG-CG 4.05Å; Y153-M183 HydrophobicContact CG-SD 4.31Å; Y153-I199 HydrophobicContact CD2-CD1 4.2Å; Y153-I199 HydrophobicContact CE2-CD1 3.7Å
154	S	97.8	Very high	98.1	Very high	47 Å²	47	41.1 Å²	41.1	33%	0.329	21%	0.211	S	C	.	.			trans	-72.5	129.3	178.2	-176.4	0	0	0	0	110.7	G152 Y156 F157 V158	G152-S154 PolarHBondContact O-N 3.14Å; S154-Y156 PolarHBondContact O-N 3.29Å; S154-Y156 WeakPolarHBondContact OG-CB 3.3Å; S154-Y156 PolarHBondContact OG-N 2.9Å; S154-F157 WeakPolarHBondContact O-CA 3.17Å; S154-F157 WeakPolarHBondContact O-CB 3.16Å; S154-F157 PolarHBondContact O-N 3.31Å; S154-V158 PolarHBondContact O-N 2.82Å; S154-V158 VanDerWaalsContact O-N 3.16Å
155	E	97.4	Very high	98.1	Very high	149 Å²	149	42.1 Å²	42.1	70%	0.696	21%	0.214	S	C	*	.	H	α-helix	trans	-53.9	-35.2	170.4	-174.3	176.1	-161.9	0	0	111.5	Y153 F157 V158 E159	Y153-E155 PolarHBondContact O-N 2.54Å; E155-F157 VanDerWaalsContact C-N 3.28Å; E155-F157 PolarHBondContact O-N 3.23Å; E155-V158 WeakPolarHBondContact O-CB 3.21Å; E155-V158 PolarHBondContact O-N 2.99Å; E155-V158 VanDerWaalsContact O-N 3.16Å; E155-E159 PolarHBondContact O-N 3.11Å
156	Y	97.2	Very high	98.1	Very high	128 Å²	128	49.5 Å²	49.5	50%	0.502	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-38.2	174.3	-176.9	-102.2	0	0	0	112.5	S124 S154 F160	S124-Y156 VanDerWaalsContact O-CE1 3.32Å; S124-Y156 WeakPolarHBondContact O-CE1 3.48Å; S124-Y156 PolarHBondContact O-OH 2.96Å; S124-Y156 VanDerWaalsContact O-OH 3.07Å; S154-Y156 PolarHBondContact O-N 3.29Å; S154-Y156 WeakPolarHBondContact OG-CB 3.3Å; S154-Y156 PolarHBondContact OG-N 2.9Å; Y156-F160 WeakPolarHBondContact O-CB 3.44Å; Y156-F160 PolarHBondContact O-N 3.38Å
157	F	98.5	Very high	98	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-70.8	-37.8	176.7	-175.7	-116.2	0	0	0	111.7	L147 V149 S154 E155 F160 V161 A175 L187	L147-F157 HydrophobicContact CB-CE2 4Å; L147-F157 HydrophobicContact CB-CZ 4.02Å; V149-F157 HydrophobicContact CB-CD2 4.33Å; V149-F157 HydrophobicContact CB-CE2 4.4Å; V149-F157 HydrophobicContact CG1-CD2 3.79Å; V149-F157 HydrophobicContact CG1-CE2 3.89Å; V149-F157 HydrophobicContact CG2-CB 4.33Å; V149-F157 HydrophobicContact CG2-CD1 3.95Å; V149-F157 HydrophobicContact CG2-CD2 3.52Å; V149-F157 HydrophobicContact CG2-CE1 4.08Å; V149-F157 HydrophobicContact CG2-CE2 3.67Å; V149-F157 HydrophobicContact CG2-CG 3.66Å; V149-F157 HydrophobicContact CG2-CZ 3.94Å; S154-F157 WeakPolarHBondContact O-CA 3.17Å; S154-F157 WeakPolarHBondContact O-CB 3.16Å; S154-F157 PolarHBondContact O-N 3.31Å; E155-F157 VanDerWaalsContact C-N 3.28Å; E155-F157 PolarHBondContact O-N 3.23Å; F157-F160 WeakPolarHBondContact O-CB 3.36Å; F157-F160 PolarHBondContact O-N 3.46Å; F157-V161 HydrophobicContact CD1-CG2 4.41Å; F157-V161 HydrophobicContact CE1-CG2 4.09Å; F157-V161 HydrophobicContact CE2-CG2 4.36Å; F157-V161 HydrophobicContact CZ-CG2 4.07Å; F157-V161 WeakPolarHBondContact O-CG2 3.38Å; F157-V161 PolarHBondContact O-N 3.29Å; F157-A175 HydrophobicContact CE1-CB 4.19Å; F157-A175 HydrophobicContact CZ-CB 4.04Å; F157-L187 HydrophobicContact CD1-CD2 3.92Å; F157-L187 HydrophobicContact CE1-CD1 4.33Å; F157-L187 HydrophobicContact CE1-CD2 3.96Å
158	V	98.6	Very high	98	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-48.6	174	179	0	0	0	0	111.1	S154 E155 F160 V161 K162 M183 E186 L187 S190	S154-V158 PolarHBondContact O-N 2.82Å; S154-V158 VanDerWaalsContact O-N 3.16Å; E155-V158 WeakPolarHBondContact O-CB 3.21Å; E155-V158 PolarHBondContact O-N 2.99Å; E155-V158 VanDerWaalsContact O-N 3.16Å; V158-F160 VanDerWaalsContact C-N 3.29Å; V158-F160 PolarHBondContact O-N 3.02Å; V158-V161 PolarHBondContact O-N 3.03Å; V158-K162 PolarHBondContact O-N 2.97Å; V158-K162 VanDerWaalsContact O-N 3.11Å; V158-M183 HydrophobicContact CG2-CE 3.3Å; V158-E186 HydrophobicContact CG1-CG 4.13Å; V158-E186 HydrophobicContact CG2-CG 4.2Å; V158-L187 HydrophobicContact CG2-CD2 4.21Å; V158-S190 VanDerWaalsContact CG1-OG 3.23Å; V158-S190 WeakPolarHBondContact CG1-OG 3.13Å
159	E	98.4	Very high	98	Very high	85 Å²	85	58.8 Å²	58.8	40%	0.397	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-35.6	176.5	-67.2	-52.8	128.7	0	0	112.3	E155 K162 T163	E155-E159 PolarHBondContact O-N 3.11Å; E159-K162 PolarHBondContact O-N 3.17Å; E159-K162 IonicContact OE1-NZ 2.89Å; E159-K162 PolarHBondContact OE1-NZ 2.98Å; E159-K162 IonicContact OE2-NZ 2.87Å; E159-T163 PolarHBondContact O-N 2.92Å; E159-T163 PolarHBondContact O-OG1 2.89Å
160	F	98.6	Very high	98.1	Very high	11 Å²	11	64.6 Å²	64.6	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-42	174.4	-171.4	-99.1	0	0	0	112.2	G123 L129 L147 Y156 F157 V158 K162 T163 V164	G123-F160 WeakPolarHBondContact O-CE1 3.46Å; G123-F160 WeakPolarHBondContact O-CZ 3.16Å; L129-F160 HydrophobicContact CB-CE2 3.95Å; L129-F160 HydrophobicContact CB-CZ 3.99Å; L129-F160 HydrophobicContact CD1-CE2 4.36Å; L129-F160 HydrophobicContact CD1-CZ 4.08Å; L129-F160 HydrophobicContact CD2-CE2 4Å; L129-F160 HydrophobicContact CG-CE2 4.33Å; L129-F160 HydrophobicContact CG-CZ 4.42Å; L147-F160 HydrophobicContact CD1-CD1 4.15Å; L147-F160 HydrophobicContact CD1-CE1 4.21Å; L147-F160 HydrophobicContact CD2-CE1 3.95Å; Y156-F160 WeakPolarHBondContact O-CB 3.44Å; Y156-F160 PolarHBondContact O-N 3.38Å; F157-F160 WeakPolarHBondContact O-CB 3.36Å; F157-F160 PolarHBondContact O-N 3.46Å; V158-F160 VanDerWaalsContact C-N 3.29Å; V158-F160 PolarHBondContact O-N 3.02Å; F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.07Å; F160-T163 WeakPolarHBondContact O-CB 3.21Å; F160-T163 PolarHBondContact O-N 2.87Å; F160-V164 HydrophobicContact CD1-CG2 4.02Å; F160-V164 HydrophobicContact CE1-CG2 3.64Å; F160-V164 HydrophobicContact CZ-CG2 3.93Å; F160-V164 WeakPolarHBondContact O-CG2 3.32Å; F160-V164 PolarHBondContact O-N 2.87Å
161	V	98.8	Very high	98.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-43.4	174.4	170.2	0	0	0	0	111.1	L147 F157 V158 V164 R165 A175 L187 A192	L147-V161 HydrophobicContact CD1-CG2 3.98Å; F157-V161 HydrophobicContact CD1-CG2 4.41Å; F157-V161 HydrophobicContact CE1-CG2 4.09Å; F157-V161 HydrophobicContact CE2-CG2 4.36Å; F157-V161 HydrophobicContact CZ-CG2 4.07Å; F157-V161 WeakPolarHBondContact O-CG2 3.38Å; F157-V161 PolarHBondContact O-N 3.29Å; V158-V161 PolarHBondContact O-N 3.03Å; V161-V164 PolarHBondContact O-N 2.88Å; V161-R165 WeakPolarHBondContact O-CB 3.27Å; V161-R165 PolarHBondContact O-N 3.08Å; V161-A175 HydrophobicContact CG2-CB 3.94Å; V161-L187 HydrophobicContact CG2-CD2 4.15Å; V161-A192 HydrophobicContact CG1-CB 4.06Å
162	K	98.8	Very high	98.4	Very high	67 Å²	67	58.3 Å²	58.3	29%	0.291	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-48.8	174.8	-66.8	173.2	-173.1	164.6	0	111.3	V158 E159 F160 V164 R165 E166 S190	V158-K162 PolarHBondContact O-N 2.97Å; V158-K162 VanDerWaalsContact O-N 3.11Å; E159-K162 PolarHBondContact O-N 3.17Å; E159-K162 IonicContact OE1-NZ 2.89Å; E159-K162 PolarHBondContact OE1-NZ 2.98Å; E159-K162 IonicContact OE2-NZ 2.87Å; F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.07Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 3.12Å; K162-R165 PolarHBondContact O-N 2.91Å; K162-R165 VanDerWaalsContact O-N 3.16Å; K162-E166 WeakPolarHBondContact O-CG 3.46Å; K162-E166 PolarHBondContact O-N 3.32Å; K162-S190 WeakPolarHBondContact CE-OG 3.2Å; K162-S190 WeakPolarHBondContact CG-O 3.45Å
163	T	98.6	Very high	98.5	Very high	64 Å²	64	58.3 Å²	58.3	39%	0.393	27%	0.271	S	S	.	.	H	α-helix	trans	-57	-45.7	178.3	-58.2	0	0	0	0	111.7	L129 E159 F160 E166 R167	L129-T163 HydrophobicContact CD2-CG2 4.35Å; E159-T163 PolarHBondContact O-N 2.92Å; E159-T163 PolarHBondContact O-OG1 2.89Å; F160-T163 WeakPolarHBondContact O-CB 3.21Å; F160-T163 PolarHBondContact O-N 2.87Å; T163-E166 PolarHBondContact O-N 3.48Å; T163-R167 WeakPolarHBondContact O-CB 3.36Å; T163-R167 PolarHBondContact O-N 3.01Å; T163-R167 VanDerWaalsContact O-N 3.09Å
164	V	98.8	Very high	98.5	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-40.8	178.2	176.1	0	0	0	0	111.2	L129 I145 L147 F160 V161 K162 R167 F168 I173	L129-V164 HydrophobicContact CD1-CG2 3.94Å; I145-V164 HydrophobicContact CD1-CG1 3.99Å; I145-V164 HydrophobicContact CG2-CG1 4.34Å; L147-V164 HydrophobicContact CD1-CB 3.93Å; L147-V164 HydrophobicContact CD1-CG1 4.05Å; L147-V164 HydrophobicContact CD1-CG2 3.88Å; L147-V164 HydrophobicContact CD2-CG1 4.36Å; L147-V164 HydrophobicContact CD2-CG2 4.23Å; F160-V164 HydrophobicContact CD1-CG2 4.02Å; F160-V164 HydrophobicContact CE1-CG2 3.64Å; F160-V164 HydrophobicContact CZ-CG2 3.93Å; F160-V164 WeakPolarHBondContact O-CG2 3.32Å; F160-V164 PolarHBondContact O-N 2.87Å; V161-V164 PolarHBondContact O-N 2.88Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-V164 PolarHBondContact O-N 3.12Å; V164-R167 PolarHBondContact O-N 3.03Å; V164-F168 HydrophobicContact CG1-CD2 3.99Å; V164-F168 WeakPolarHBondContact O-CD2 3.27Å; V164-F168 PolarHBondContact O-N 3.07Å; V164-I173 HydrophobicContact CB-CD1 4.49Å; V164-I173 HydrophobicContact CG1-CD1 3.88Å; V164-I173 HydrophobicContact CG1-CG1 4.48Å
165	R	98.8	Very high	98.5	Very high	31 Å²	31	52.7 Å²	52.7	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-46	175.2	169	55.6	64.6	-156	-5.2	111.9	V161 K162 R167 F168 P169 H171 I173 G191 D193	V161-R165 WeakPolarHBondContact O-CB 3.27Å; V161-R165 PolarHBondContact O-N 3.08Å; K162-R165 PolarHBondContact O-N 2.91Å; K162-R165 VanDerWaalsContact O-N 3.16Å; R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.01Å; R165-F168 PolarHBondContact NH1-O 3.41Å; R165-F168 CarbonylContact O-C 3.52Å; R165-F168 VanDerWaalsContact O-C 3.31Å; R165-F168 PolarHBondContact O-N 3.47Å; R165-P169 PolarHBondContact NH1-O 3.23Å; R165-P169 VanDerWaalsContact O-CA 3.32Å; R165-P169 WeakPolarHBondContact O-CA 3.42Å; R165-H171 PolarHBondContact NH1-O 2.74Å; R165-H171 PolarHBondContact NH2-O 3.48Å; R165-I173 HydrophobicContact CB-CD1 4.02Å; R165-G191 VanDerWaalsContact CZ-O 3.28Å; R165-G191 PolarHBondContact NE-O 3.14Å; R165-G191 PolarHBondContact NH2-O 3.05Å; R165-D193 IonicContact CZ-OD2 3.99Å; R165-D193 IonicContact NH2-OD1 2.7Å; R165-D193 IonicContact NH2-OD2 3.7Å; R165-D193 PolarHBondContact NH2-OD2 3.25Å
166	E	98.6	Very high	98.6	Very high	155 Å²	155	45.6 Å²	45.6	72%	0.724	21%	0.209	S	C	*	.	H	α-helix	trans	-59.5	-41.5	177.6	-74.1	176	-177.9	0	0	111.5	K162 T163	K162-E166 WeakPolarHBondContact O-CG 3.46Å; K162-E166 PolarHBondContact O-N 3.32Å; T163-E166 PolarHBondContact O-N 3.48Å
167	R	98.3	Very high	98.7	Very high	141 Å²	141	40.2 Å²	40.2	53%	0.532	19%	0.189	S	C	.	.	H	α-helix	trans	-74	-33.5	179.8	-164.6	162.6	-162.9	157.4	3.1	113.6	C133 T163 V164 R165 P169	C133-R167 PolarHBondContact SG-NE 2.84Å; T163-R167 WeakPolarHBondContact O-CB 3.36Å; T163-R167 PolarHBondContact O-N 3.01Å; T163-R167 VanDerWaalsContact O-N 3.09Å; V164-R167 PolarHBondContact O-N 3.03Å; R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.01Å; R167-P169 VanDerWaalsContact C-CD 3.46Å; R167-P169 WeakPolarHBondContact O-CD 3.3Å
168	F	98.6	Very high	98.7	Very high	19 Å²	19	40.1 Å²	40.1	8%	0.083	19%	0.188	C	C	.	.			trans	-126	64.4	-175.7	-58.1	-72.5	0	0	0	111.8	C133 L136 I145 V164 R165 K170 H171	C133-F168 HydrophobicContact CB-CZ 4.24Å; L136-F168 HydrophobicContact CB-CE1 4.14Å; L136-F168 HydrophobicContact CD1-CD1 3.86Å; L136-F168 HydrophobicContact CD1-CD2 4.28Å; L136-F168 HydrophobicContact CD1-CE1 3.65Å; L136-F168 HydrophobicContact CD1-CE2 4.09Å; L136-F168 HydrophobicContact CD1-CG 4.18Å; L136-F168 HydrophobicContact CD1-CZ 3.78Å; I145-F168 HydrophobicContact CD1-CB 3.88Å; I145-F168 HydrophobicContact CD1-CD2 3.87Å; I145-F168 HydrophobicContact CD1-CG 3.9Å; V164-F168 HydrophobicContact CG1-CD2 3.99Å; V164-F168 WeakPolarHBondContact O-CD2 3.27Å; V164-F168 PolarHBondContact O-N 3.07Å; R165-F168 PolarHBondContact NH1-O 3.41Å; R165-F168 CarbonylContact O-C 3.52Å; R165-F168 VanDerWaalsContact O-C 3.31Å; R165-F168 PolarHBondContact O-N 3.47Å; F168-K170 PolarHBondContact O-N 3.04Å; F168-H171 HydrophobicContact CB-CB 3.96Å; F168-H171 AromaticContact CD1-CE1 3.92Å; F168-H171 PolarHBondContact O-N 2.65Å; F168-H171 VanDerWaalsContact O-N 3.09Å
169	P	98.6	Very high	98.7	Very high	81 Å²	81	40.6 Å²	40.6	53%	0.526	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.8	-169	24.1	-35.1	0	0	0	113.8	R165 R167	R165-P169 PolarHBondContact NH1-O 3.23Å; R165-P169 VanDerWaalsContact O-CA 3.32Å; R165-P169 WeakPolarHBondContact O-CA 3.42Å; R167-P169 VanDerWaalsContact C-CD 3.46Å; R167-P169 WeakPolarHBondContact O-CD 3.3Å
170	K	98.3	Very high	98.7	Very high	148 Å²	148	37.6 Å²	37.6	64%	0.643	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-13.9	179.9	-64.5	-176.6	179.5	-179.9	0	114.6	Q62 F168	Q62-K170 WeakPolarHBondContact CG-O 3.42Å; Q62-K170 PolarHBondContact NE2-O 2.99Å; F168-K170 PolarHBondContact O-N 3.04Å
171	H	98.9	Very high	98.7	Very high	25 Å²	25	37.3 Å²	37.3	12%	0.116	18%	0.179	C	C	.	.	S	Bend	trans	-76.7	145.6	-179.7	-70.2	61.4	0	0	0	110	S60 L142 Q143 I145 R165 F168	S60-H171 WeakPolarHBondContact CB-O 3.49Å; L142-H171 PolarHBondContact O-CD2 2.7Å; L142-H171 PolarHBondContact O-NE2 3.07Å; L142-H171 VanDerWaalsContact O-NE2 3.11Å; Q143-H171 WeakPolarHBondContact O-CA 3.26Å; I145-H171 HydrophobicContact CD1-CB 3.73Å; I145-H171 HydrophobicContact CG1-CB 4.1Å; R165-H171 PolarHBondContact NH1-O 2.74Å; R165-H171 PolarHBondContact NH2-O 3.48Å; F168-H171 HydrophobicContact CB-CB 3.96Å; F168-H171 AromaticContact CD1-CE1 3.92Å; F168-H171 PolarHBondContact O-N 2.65Å; F168-H171 VanDerWaalsContact O-N 3.09Å
172	T	98.9	Very high	98.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.8	171.3	-59.9	0	0	0	0	109.4	F57 S60 Q143 Y144 I145 D193 I194	F57-T172 HydrophobicContact CB-CG2 4.3Å; F57-T172 HydrophobicContact CD1-CG2 4.08Å; F57-T172 HydrophobicContact CD2-CG2 3.44Å; F57-T172 VanDerWaalsContact CD2-CG2 3.44Å; F57-T172 VanDerWaalsContact CD2-OG1 3.28Å; F57-T172 WeakPolarHBondContact CD2-OG1 3.42Å; F57-T172 HydrophobicContact CE1-CG2 4.28Å; F57-T172 HydrophobicContact CE2-CG2 3.66Å; F57-T172 HydrophobicContact CG-CG2 3.67Å; F57-T172 HydrophobicContact CZ-CG2 4.07Å; S60-T172 PolarHBondContact OG-OG1 2.86Å; Q143-T172 PolarHBondContact O-N 2.78Å; Y144-T172 WeakPolarHBondContact CA-O 3.35Å; Y144-T172 HydrophobicContact CD1-CG2 3.73Å; Y144-T172 HydrophobicContact CE1-CG2 3.79Å; I145-T172 PolarHBondContact N-O 2.9Å; T172-D193 VanDerWaalsContact CA-OD2 3.28Å; T172-D193 WeakPolarHBondContact CA-OD2 3.37Å; T172-D193 HydrophobicContact CG2-CB 3.75Å; T172-I194 HydrophobicContact CG2-CD1 3.9Å; T172-I194 HydrophobicContact CG2-CG1 4.2Å
173	I	98.9	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.4	-173.3	-62.6	173.1	0	0	0	110	I145 L147 V164 R165 A192 D193 I194	I145-I173 HydrophobicContact CB-CG1 4.41Å; I145-I173 HydrophobicContact CD1-CG1 4.45Å; L147-I173 HydrophobicContact CD1-CG2 3.89Å; L147-I173 HydrophobicContact CG-CG2 4.13Å; V164-I173 HydrophobicContact CB-CD1 4.49Å; V164-I173 HydrophobicContact CG1-CD1 3.88Å; V164-I173 HydrophobicContact CG1-CG1 4.48Å; R165-I173 HydrophobicContact CB-CD1 4.02Å; I173-A192 HydrophobicContact CG2-CB 4.43Å; I173-D193 PolarHBondContact N-OD2 2.9Å; I173-D193 PolarHBondContact O-N 3.1Å; I173-I194 PolarHBondContact O-N 3.4Å; I173-I194 VanDerWaalsContact O-N 3.11Å
174	M	98.9	Very high	98.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.6	163	-52	172.2	-175.5	0	0	108.5	I70 F92 Y144 I145 C146 L147 I194 I236	I70-M174 HydrophobicContact CD1-CE 4.33Å; I70-M174 HydrophobicContact CD1-SD 4.45Å; F92-M174 HydrophobicContact CD1-CE 4.27Å; F92-M174 HydrophobicContact CE1-CE 3.67Å; F92-M174 HydrophobicContact CE2-CE 4.26Å; F92-M174 HydrophobicContact CZ-CE 3.67Å; Y144-M174 HydrophobicContact CD1-CE 4.14Å; I145-M174 PolarHBondContact O-N 3.48Å; C146-M174 HydrophobicContact CB-CB 4.49Å; L147-M174 PolarHBondContact N-O 2.88Å; M174-I194 CarbonylContact C-O 3.58Å; M174-I194 WeakPolarHBondContact CA-O 3.47Å; M174-I194 HydrophobicContact CE-CD1 4.11Å; M174-I194 HydrophobicContact CG-CB 4.17Å; M174-I194 HydrophobicContact CG-CD1 3.99Å; M174-I194 HydrophobicContact CG-CG1 4.48Å; M174-I236 HydrophobicContact CB-CD1 4.11Å; M174-I236 HydrophobicContact CG-CD1 3.93Å; M174-I236 HydrophobicContact SD-CD1 3.69Å
175	A	98.9	Very high	98.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135.4	179.8	0	0	0	0	0	112.2	L147 F157 V161 A192 I194 I195 K196	L147-A175 HydrophobicContact CB-CB 4.41Å; L147-A175 WeakPolarHBondContact O-CA 3.35Å; F157-A175 HydrophobicContact CE1-CB 4.19Å; F157-A175 HydrophobicContact CZ-CB 4.04Å; V161-A175 HydrophobicContact CG2-CB 3.94Å; A175-A192 HydrophobicContact CB-CB 3.69Å; A175-I194 PolarHBondContact N-O 3.39Å; A175-I195 CarbonylContact O-C 3.59Å; A175-I195 WeakPolarHBondContact O-CA 3.38Å; A175-K196 PolarHBondContact O-N 2.94Å
176	G	98.6	Very high	98.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-172.8	174.7	0	0	0	0	0	113.7	L147 V149	L147-G176 PolarHBondContact O-N 2.8Å; L147-G176 VanDerWaalsContact O-N 3.11Å; V149-G176 PolarHBondContact N-O 3.35Å; V149-G176 CarbonylContact O-C 3.51Å
177	N	98.6	Very high	98.7	Very high	14 Å²	14	35.4 Å²	35.4	8%	0.075	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-104.1	147.8	12.9	-73.5	21.9	0	0	0	115.1	V149 G152 K196 G198 I199 D238	V149-N177 PolarHBondContact O-N 3.36Å; G152-N177 WeakPolarHBondContact CA-O 3.25Å; G152-N177 PolarHBondContact N-O 3.02Å; N177-K196 VanDerWaalsContact CA-O 3.32Å; N177-K196 WeakPolarHBondContact CA-O 3.22Å; N177-K196 WeakPolarHBondContact OD1-CB 3.46Å; N177-K196 WeakPolarHBondContact OD1-CE 3.5Å; N177-K196 PolarHBondContact OD1-NZ 3.42Å; N177-G198 VanDerWaalsContact CB-O 3.29Å; N177-G198 WeakPolarHBondContact CB-O 3.4Å; N177-G198 PolarHBondContact ND2-O 3.4Å; N177-I199 HydrophobicContact CB-CG1 4.27Å; N177-D238 PolarHBondContact ND2-OD2 3.11Å
178	V	98.8	Very high	98.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	171.1	174.1	-57.8	0	0	0	0	110.4	Y153 M183 V184 L187 I195 K196 V197 G198	Y153-V178 HydrophobicContact CD2-CG1 4.35Å; Y153-V178 HydrophobicContact CE2-CB 3.97Å; Y153-V178 HydrophobicContact CE2-CG1 4.12Å; V178-M183 HydrophobicContact CB-CB 4.13Å; V178-M183 HydrophobicContact CB-CG 4.14Å; V178-M183 HydrophobicContact CG1-CB 3.94Å; V178-M183 HydrophobicContact CG1-CG 3.4Å; V178-V184 HydrophobicContact CG2-CG2 3.82Å; V178-L187 HydrophobicContact CG1-CD1 3.69Å; V178-L187 HydrophobicContact CG2-CD1 4.44Å; V178-I195 HydrophobicContact CG2-CG2 3.38Å; V178-K196 PolarHBondContact N-O 3.41Å; V178-K196 VanDerWaalsContact N-O 3.15Å; V178-V197 CarbonylContact O-C 3.54Å; V178-V197 VanDerWaalsContact O-CA 3.25Å; V178-V197 WeakPolarHBondContact O-CA 3.39Å; V178-G198 PolarHBondContact O-N 2.83Å
179	V	98.8	Very high	98.7	Very high	11 Å²	11	32.9 Å²	32.9	7%	0.067	17%	0.165	C	C	.	.			trans	-139.3	2.9	-179.6	-70	0	0	0	0	114.7	Y153 I199 Y215 A220	Y153-V179 HydrophobicContact CE2-CG2 4.44Å; Y153-V179 WeakPolarHBondContact OH-CG2 3.46Å; Y153-V179 PolarHBondContact OH-N 3.16Å; V179-I199 HydrophobicContact CG1-CB 3.78Å; V179-I199 HydrophobicContact CG1-CD1 4.39Å; V179-I199 HydrophobicContact CG1-CG1 3.94Å; V179-I199 HydrophobicContact CG2-CD1 4.29Å; V179-Y215 HydrophobicContact CB-CD2 4.37Å; V179-Y215 HydrophobicContact CB-CG 4.11Å; V179-Y215 HydrophobicContact CG2-CD2 4.1Å; V179-Y215 HydrophobicContact CG2-CG 4.23Å; V179-A220 HydrophobicContact CB-CB 4.13Å; V179-A220 HydrophobicContact CG1-CB 4.33Å
180	T	98.6	Very high	98.7	Very high	22 Å²	22	29.8 Å²	29.8	14%	0.135	15%	0.146	C	C	.	.	S	Bend	trans	-133.3	153.6	-176	54.9	0	0	0	0	112.5	Y153 E182 M183 V184 Y215 E223	Y153-T180 VanDerWaalsContact CE1-OG1 3.27Å; Y153-T180 WeakPolarHBondContact CE1-OG1 3.18Å; Y153-T180 PolarHBondContact OH-N 3.35Å; Y153-T180 PolarHBondContact OH-OG1 3.49Å; T180-E182 WeakPolarHBondContact CB-OE2 3.38Å; T180-E182 PolarHBondContact O-N 2.86Å; T180-E182 PolarHBondContact OG1-OE1 2.91Å; T180-E182 PolarHBondContact OG1-OE2 3.11Å; T180-M183 PolarHBondContact O-N 2.86Å; T180-V184 WeakPolarHBondContact O-CG2 3.28Å; T180-V184 PolarHBondContact O-N 3Å; T180-Y215 HydrophobicContact CG2-CD2 4.34Å; T180-Y215 HydrophobicContact CG2-CE2 4.07Å; T180-E223 WeakPolarHBondContact CA-OE1 2.94Å; T180-E223 WeakPolarHBondContact CB-OE1 3.34Å
181	G	98.1	Very high	98.7	Very high	5 Å²	5	23 Å²	23	5%	0.052	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-36.7	-171.3	0	0	0	0	0	115	M183 V184 E185 E223 S227	G181-M183 VanDerWaalsContact C-N 3.34Å; G181-M183 PolarHBondContact O-N 2.86Å; G181-V184 WeakPolarHBondContact O-CB 3.46Å; G181-V184 PolarHBondContact O-N 2.85Å; G181-E185 WeakPolarHBondContact O-CG 3.49Å; G181-E185 PolarHBondContact O-N 2.53Å; G181-E223 PolarHBondContact N-OE1 2.85Å; G181-S227 VanDerWaalsContact CA-OG 3.27Å; G181-S227 WeakPolarHBondContact CA-OG 3.42Å; G181-S227 PolarHBondContact O-OG 3.2Å
182	E	98.4	Very high	98.7	Very high	105 Å²	105	21.9 Å²	21.9	49%	0.491	11%	0.113	S	C	.	.	H	α-helix	trans	-64.6	-39.7	-178	80.4	-66.5	168.7	0	0	112	Y153 T180 E185 E186	Y153-E182 WeakPolarHBondContact CE1-OE1 3.27Å; T180-E182 WeakPolarHBondContact CB-OE2 3.38Å; T180-E182 PolarHBondContact O-N 2.86Å; T180-E182 PolarHBondContact OG1-OE1 2.91Å; T180-E182 PolarHBondContact OG1-OE2 3.11Å; E182-E185 PolarHBondContact O-N 3.21Å; E182-E186 PolarHBondContact O-N 2.85Å
183	M	98.8	Very high	98.7	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.034	11%	0.113	C	C	.	.	H	α-helix	trans	-76.4	-29.7	-179.5	-159.2	66.9	-128.6	0	0	111.4	Y153 V158 V178 T180 G181 E186 L187	Y153-M183 HydrophobicContact CD1-CB 3.81Å; Y153-M183 HydrophobicContact CD1-CG 3.63Å; Y153-M183 HydrophobicContact CD1-SD 3.85Å; Y153-M183 HydrophobicContact CE1-CB 3.51Å; Y153-M183 HydrophobicContact CE1-CG 3.84Å; Y153-M183 HydrophobicContact CG-CG 4.05Å; Y153-M183 HydrophobicContact CG-SD 4.31Å; V158-M183 HydrophobicContact CG2-CE 3.3Å; V178-M183 HydrophobicContact CB-CB 4.13Å; V178-M183 HydrophobicContact CB-CG 4.14Å; V178-M183 HydrophobicContact CG1-CB 3.94Å; V178-M183 HydrophobicContact CG1-CG 3.4Å; T180-M183 PolarHBondContact O-N 2.86Å; G181-M183 VanDerWaalsContact C-N 3.34Å; G181-M183 PolarHBondContact O-N 2.86Å; M183-E186 HydrophobicContact CE-CB 3.92Å; M183-E186 HydrophobicContact CE-CG 3.81Å; M183-E186 WeakPolarHBondContact CE-OE2 3.09Å; M183-L187 HydrophobicContact CE-CD2 4.06Å; M183-L187 HydrophobicContact CE-CG 3.91Å; M183-L187 WeakPolarHBondContact O-CB 3.38Å; M183-L187 VanDerWaalsContact O-CG 3.26Å; M183-L187 WeakPolarHBondContact O-CG 3.46Å; M183-L187 PolarHBondContact O-N 3.07Å
184	V	98.9	Very high	98.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.5	-48.7	168.4	166.6	0	0	0	0	110.4	V178 T180 G181 L187 I188 I195 C224 A228	V178-V184 HydrophobicContact CG2-CG2 3.82Å; T180-V184 WeakPolarHBondContact O-CG2 3.28Å; T180-V184 PolarHBondContact O-N 3Å; G181-V184 WeakPolarHBondContact O-CB 3.46Å; G181-V184 PolarHBondContact O-N 2.85Å; V184-L187 PolarHBondContact O-N 3.48Å; V184-I188 HydrophobicContact CG1-CD1 3.75Å; V184-I188 WeakPolarHBondContact O-CB 3.29Å; V184-I188 VanDerWaalsContact O-CG1 3.27Å; V184-I188 WeakPolarHBondContact O-CG1 3.27Å; V184-I188 PolarHBondContact O-N 3.22Å; V184-I195 HydrophobicContact CB-CG2 4.49Å; V184-I195 HydrophobicContact CG1-CB 4.41Å; V184-I195 HydrophobicContact CG1-CG1 4.04Å; V184-I195 HydrophobicContact CG2-CB 4.34Å; V184-I195 HydrophobicContact CG2-CG2 3.86Å; V184-C224 HydrophobicContact CG2-CB 3.66Å; V184-C224 VanDerWaalsContact CG2-SG 3.58Å; V184-A228 HydrophobicContact CG1-CB 3.71Å
185	E	98.8	Very high	98.7	Very high	80 Å²	80	21.9 Å²	21.9	37%	0.374	11%	0.113	S	C	.	.	H	α-helix	trans	-61.8	-47	179.1	-69.8	173.5	-157.1	0	0	111.5	G181 E182 L187 I188 L189 S227 L231	G181-E185 WeakPolarHBondContact O-CG 3.49Å; G181-E185 PolarHBondContact O-N 2.53Å; E182-E185 PolarHBondContact O-N 3.21Å; E185-L187 PolarHBondContact O-N 3.11Å; E185-I188 PolarHBondContact O-N 2.73Å; E185-L189 WeakPolarHBondContact O-CB 3.47Å; E185-L189 WeakPolarHBondContact O-CG 3.44Å; E185-L189 PolarHBondContact O-N 3.44Å; E185-S227 PolarHBondContact OE1-OG 2.93Å; E185-L231 HydrophobicContact CB-CD1 3.85Å; E185-L231 HydrophobicContact CG-CD1 3.78Å; E185-L231 HydrophobicContact CG-CG 4.44Å
186	E	98.9	Very high	98.7	Very high	86 Å²	86	22 Å²	22	40%	0.402	11%	0.113	S	C	.	.	H	α-helix	trans	-60.1	-45.6	179.1	179.8	165.8	-162.3	0	0	112.4	V158 E182 M183 L189 S190	V158-E186 HydrophobicContact CG1-CG 4.13Å; V158-E186 HydrophobicContact CG2-CG 4.2Å; E182-E186 PolarHBondContact O-N 2.85Å; M183-E186 HydrophobicContact CE-CB 3.92Å; M183-E186 HydrophobicContact CE-CG 3.81Å; M183-E186 WeakPolarHBondContact CE-OE2 3.09Å; E186-L189 PolarHBondContact O-N 2.68Å; E186-S190 WeakPolarHBondContact O-CB 3.2Å; E186-S190 PolarHBondContact O-N 3.38Å; E186-S190 PolarHBondContact O-OG 3.08Å
187	L	98.9	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.1	-39.6	178.6	-70.1	175	0	0	0	112	F157 V158 V161 V178 M183 V184 E185 S190 G191 A192 I195	F157-L187 HydrophobicContact CD1-CD2 3.92Å; F157-L187 HydrophobicContact CE1-CD1 4.33Å; F157-L187 HydrophobicContact CE1-CD2 3.96Å; V158-L187 HydrophobicContact CG2-CD2 4.21Å; V161-L187 HydrophobicContact CG2-CD2 4.15Å; V178-L187 HydrophobicContact CG1-CD1 3.69Å; V178-L187 HydrophobicContact CG2-CD1 4.44Å; M183-L187 HydrophobicContact CE-CD2 4.06Å; M183-L187 HydrophobicContact CE-CG 3.91Å; M183-L187 WeakPolarHBondContact O-CB 3.38Å; M183-L187 VanDerWaalsContact O-CG 3.26Å; M183-L187 WeakPolarHBondContact O-CG 3.46Å; M183-L187 PolarHBondContact O-N 3.07Å; V184-L187 PolarHBondContact O-N 3.48Å; E185-L187 PolarHBondContact O-N 3.11Å; L187-S190 PolarHBondContact O-N 2.9Å; L187-G191 PolarHBondContact O-N 2.77Å; L187-G191 VanDerWaalsContact O-N 3.17Å; L187-A192 HydrophobicContact CB-CB 4.45Å; L187-A192 WeakPolarHBondContact O-CB 3.32Å; L187-A192 PolarHBondContact O-N 2.62Å; L187-I195 HydrophobicContact CB-CD1 3.45Å; L187-I195 VanDerWaalsContact CB-CD1 3.45Å; L187-I195 HydrophobicContact CB-CG1 4.43Å; L187-I195 HydrophobicContact CD1-CD1 4.26Å; L187-I195 HydrophobicContact CD1-CG2 4.19Å
188	I	98.9	Very high	98.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-45.5	175.6	-70.8	167.9	0	0	0	110.7	N59 V184 E185 S190 G191 A192 I195 A228 L231	N59-I188 PolarHBondContact ND2-O 2.84Å; V184-I188 HydrophobicContact CG1-CD1 3.75Å; V184-I188 WeakPolarHBondContact O-CB 3.29Å; V184-I188 VanDerWaalsContact O-CG1 3.27Å; V184-I188 WeakPolarHBondContact O-CG1 3.27Å; V184-I188 PolarHBondContact O-N 3.22Å; E185-I188 PolarHBondContact O-N 2.73Å; I188-S190 PolarHBondContact O-N 2.82Å; I188-G191 PolarHBondContact O-N 2.97Å; I188-A192 WeakPolarHBondContact CA-O 3.28Å; I188-I195 HydrophobicContact CD1-CG1 4.01Å; I188-I195 HydrophobicContact CG1-CD1 3.84Å; I188-I195 HydrophobicContact CG1-CG1 3.64Å; I188-A228 HydrophobicContact CD1-CB 3.78Å; I188-L231 HydrophobicContact CB-CD1 4.14Å; I188-L231 HydrophobicContact CD1-CD1 4.49Å; I188-L231 HydrophobicContact CG2-CB 4.05Å; I188-L231 HydrophobicContact CG2-CD1 4Å
189	L	98.8	Very high	98.7	Very high	107 Å²	107	22.4 Å²	22.4	56%	0.56	12%	0.116	S	C	*	.	H	α-helix	trans	-67.2	-29.1	178.8	-68.9	174.8	0	0	0	112.1	E185 E186 G191 L231	E185-L189 WeakPolarHBondContact O-CB 3.47Å; E185-L189 WeakPolarHBondContact O-CG 3.44Å; E185-L189 PolarHBondContact O-N 3.44Å; E186-L189 PolarHBondContact O-N 2.68Å; L189-G191 VanDerWaalsContact C-N 3.29Å; L189-L231 HydrophobicContact CD2-CD1 4.34Å; L189-L231 HydrophobicContact CG-CD1 4.11Å
190	S	98.8	Very high	98.6	Very high	16 Å²	16	22.6 Å²	22.6	11%	0.112	12%	0.12	C	C	.	.	H	α-helix	trans	-78.8	-10	175.8	-62.5	0	0	0	0	113.8	V158 K162 E186 L187 I188	V158-S190 VanDerWaalsContact CG1-OG 3.23Å; V158-S190 WeakPolarHBondContact CG1-OG 3.13Å; K162-S190 WeakPolarHBondContact CE-OG 3.2Å; K162-S190 WeakPolarHBondContact CG-O 3.45Å; E186-S190 WeakPolarHBondContact O-CB 3.2Å; E186-S190 PolarHBondContact O-N 3.38Å; E186-S190 PolarHBondContact O-OG 3.08Å; L187-S190 PolarHBondContact O-N 2.9Å; I188-S190 PolarHBondContact O-N 2.82Å
191	G	98.7	Very high	98.5	Very high	6 Å²	6	22.5 Å²	22.5	6%	0.062	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	127.2	-4.2	168.5	0	0	0	0	0	115.5	N59 R165 L187 I188 L189	N59-G191 VanDerWaalsContact ND2-C 3.27Å; N59-G191 PolarHBondContact ND2-O 2.81Å; R165-G191 VanDerWaalsContact CZ-O 3.28Å; R165-G191 PolarHBondContact NE-O 3.14Å; R165-G191 PolarHBondContact NH2-O 3.05Å; L187-G191 PolarHBondContact O-N 2.77Å; L187-G191 VanDerWaalsContact O-N 3.17Å; I188-G191 PolarHBondContact O-N 2.97Å; L189-G191 VanDerWaalsContact C-N 3.29Å
192	A	98.9	Very high	98.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.131	C	C	.	.			trans	-69.2	146.3	174.1	0	0	0	0	0	111.5	N59 V161 I173 A175 L187 I188 I195	N59-A192 PolarHBondContact ND2-O 3.5Å; V161-A192 HydrophobicContact CG1-CB 4.06Å; I173-A192 HydrophobicContact CG2-CB 4.43Å; A175-A192 HydrophobicContact CB-CB 3.69Å; L187-A192 HydrophobicContact CB-CB 4.45Å; L187-A192 WeakPolarHBondContact O-CB 3.32Å; L187-A192 PolarHBondContact O-N 2.62Å; I188-A192 WeakPolarHBondContact CA-O 3.28Å; A192-I195 HydrophobicContact CB-CD1 3.58Å
193	D	98.9	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-94.8	-35.6	176.4	-68.3	-70.7	0	0	0	112.3	F57 N59 S60 R165 T172 I173 H234	F57-D193 HydrophobicContact CB-CB 3.96Å; F57-D193 HydrophobicContact CD1-CB 4.31Å; F57-D193 HydrophobicContact CG-CB 4.28Å; N59-D193 VanDerWaalsContact CA-OD1 3.3Å; N59-D193 WeakPolarHBondContact CA-OD1 3.35Å; N59-D193 VanDerWaalsContact CB-OD1 3.31Å; N59-D193 WeakPolarHBondContact CB-OD1 3.36Å; N59-D193 PolarHBondContact N-OD1 3.18Å; S60-D193 WeakPolarHBondContact CB-OD2 3.45Å; S60-D193 PolarHBondContact N-OD1 2.79Å; R165-D193 IonicContact CZ-OD2 3.99Å; R165-D193 IonicContact NH2-OD1 2.7Å; R165-D193 IonicContact NH2-OD2 3.7Å; R165-D193 PolarHBondContact NH2-OD2 3.25Å; T172-D193 VanDerWaalsContact CA-OD2 3.28Å; T172-D193 WeakPolarHBondContact CA-OD2 3.37Å; T172-D193 HydrophobicContact CG2-CB 3.75Å; I173-D193 PolarHBondContact N-OD2 2.9Å; I173-D193 PolarHBondContact O-N 3.1Å; D193-H234 PolarHBondContact O-N 2.83Å; D193-H234 VanDerWaalsContact O-N 3.13Å
194	I	98.9	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	122.3	-171.8	-40.8	174.8	0	0	0	108.6	F57 T172 I173 M174 A175 H234 I236 F257	F57-I194 HydrophobicContact CD1-CD1 4.11Å; F57-I194 HydrophobicContact CD1-CG1 3.96Å; F57-I194 HydrophobicContact CE1-CD1 3.47Å; F57-I194 VanDerWaalsContact CE1-CD1 3.47Å; F57-I194 HydrophobicContact CE1-CG1 3.78Å; F57-I194 HydrophobicContact CZ-CD1 3.83Å; T172-I194 HydrophobicContact CG2-CD1 3.9Å; T172-I194 HydrophobicContact CG2-CG1 4.2Å; I173-I194 PolarHBondContact O-N 3.4Å; I173-I194 VanDerWaalsContact O-N 3.11Å; M174-I194 CarbonylContact C-O 3.58Å; M174-I194 WeakPolarHBondContact CA-O 3.47Å; M174-I194 HydrophobicContact CE-CD1 4.11Å; M174-I194 HydrophobicContact CG-CB 4.17Å; M174-I194 HydrophobicContact CG-CD1 3.99Å; M174-I194 HydrophobicContact CG-CG1 4.48Å; A175-I194 PolarHBondContact N-O 3.39Å; I194-H234 CarbonylContact C-O 3.59Å; I194-H234 VanDerWaalsContact CA-O 3.26Å; I194-H234 WeakPolarHBondContact CA-O 3.09Å; I194-H234 HydrophobicContact CB-CB 4.46Å; I194-H234 HydrophobicContact CG1-CB 4.29Å; I194-H234 HydrophobicContact CG2-CB 3.98Å; I194-I236 HydrophobicContact CG2-CD1 3.99Å; I194-I236 HydrophobicContact CG2-CG1 3.47Å; I194-I236 VanDerWaalsContact CG2-CG1 3.47Å; I194-F257 HydrophobicContact CD1-CE2 3.99Å; I194-F257 HydrophobicContact CD1-CZ 4.35Å; I194-F257 HydrophobicContact CG2-CD2 4.14Å; I194-F257 HydrophobicContact CG2-CE2 4.39Å
195	I	98.9	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.5	-178.4	-52.9	-51	0	0	0	110.8	A175 V178 V184 L187 I188 A192 V197 H234 I235 I236	A175-I195 CarbonylContact O-C 3.59Å; A175-I195 WeakPolarHBondContact O-CA 3.38Å; V178-I195 HydrophobicContact CG2-CG2 3.38Å; V184-I195 HydrophobicContact CB-CG2 4.49Å; V184-I195 HydrophobicContact CG1-CB 4.41Å; V184-I195 HydrophobicContact CG1-CG1 4.04Å; V184-I195 HydrophobicContact CG2-CB 4.34Å; V184-I195 HydrophobicContact CG2-CG2 3.86Å; L187-I195 HydrophobicContact CB-CD1 3.45Å; L187-I195 VanDerWaalsContact CB-CD1 3.45Å; L187-I195 HydrophobicContact CB-CG1 4.43Å; L187-I195 HydrophobicContact CD1-CD1 4.26Å; L187-I195 HydrophobicContact CD1-CG2 4.19Å; I188-I195 HydrophobicContact CD1-CG1 4.01Å; I188-I195 HydrophobicContact CG1-CD1 3.84Å; I188-I195 HydrophobicContact CG1-CG1 3.64Å; A192-I195 HydrophobicContact CB-CD1 3.58Å; I195-V197 HydrophobicContact CG2-CG2 4.49Å; I195-H234 PolarHBondContact N-O 3.07Å; I195-I235 HydrophobicContact CB-CG2 4.39Å; I195-I235 CarbonylContact O-C 3.5Å; I195-I235 VanDerWaalsContact O-CA 3.25Å; I195-I235 WeakPolarHBondContact O-CA 3.5Å; I195-I236 PolarHBondContact O-N 2.93Å
196	K	98.9	Very high	97.2	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.013	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117	179	-148.5	162.9	69.5	86.8	0	109.2	D148 A175 N177 V178 I236 D238 M259	D148-K196 WeakPolarHBondContact OD1-CE 3.35Å; D148-K196 IonicContact OD1-NZ 3.54Å; D148-K196 PolarHBondContact OD1-NZ 3.47Å; D148-K196 IonicContact OD2-NZ 2.99Å; A175-K196 PolarHBondContact O-N 2.94Å; N177-K196 VanDerWaalsContact CA-O 3.32Å; N177-K196 WeakPolarHBondContact CA-O 3.22Å; N177-K196 WeakPolarHBondContact OD1-CB 3.46Å; N177-K196 WeakPolarHBondContact OD1-CE 3.5Å; N177-K196 PolarHBondContact OD1-NZ 3.42Å; V178-K196 PolarHBondContact N-O 3.41Å; V178-K196 VanDerWaalsContact N-O 3.15Å; K196-I236 HydrophobicContact CD-CD1 4.36Å; K196-I236 HydrophobicContact CG-CB 4.14Å; K196-I236 HydrophobicContact CG-CD1 4.22Å; K196-I236 HydrophobicContact CG-CG2 4.37Å; K196-D238 HydrophobicContact CD-CB 4.46Å; K196-D238 HydrophobicContact CG-CB 3.71Å; K196-D238 IonicContact NZ-OD2 3.87Å; K196-D238 PolarHBondContact NZ-OD2 3.21Å; K196-M259 HydrophobicContact CD-CE 3.8Å; K196-M259 HydrophobicContact CD-SD 3.88Å
197	V	98.9	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.6	-168.6	-179.9	0	0	0	0	110.2	V178 I195 Q217 A220 C224 I235 I236 D238	V178-V197 CarbonylContact O-C 3.54Å; V178-V197 VanDerWaalsContact O-CA 3.25Å; V178-V197 WeakPolarHBondContact O-CA 3.39Å; I195-V197 HydrophobicContact CG2-CG2 4.49Å; V197-Q217 PolarHBondContact O-NE2 2.91Å; V197-A220 HydrophobicContact CG1-CB 3.98Å; V197-C224 HydrophobicContact CB-CB 4.46Å; V197-C224 HydrophobicContact CG1-CB 4.02Å; V197-C224 HydrophobicContact CG2-CB 3.58Å; V197-I235 HydrophobicContact CG2-CB 4.05Å; V197-I235 HydrophobicContact CG2-CD1 4.31Å; V197-I235 HydrophobicContact CG2-CG2 4.19Å; V197-I236 WeakPolarHBondContact CB-O 3.47Å; V197-I236 PolarHBondContact N-O 3.12Å; V197-D238 PolarHBondContact O-N 2.87Å
198	G	98.6	Very high	96.8	Very high	5 Å²	5	20.6 Å²	20.6	5%	0.052	13%	0.126	C	C	.	.			trans	150.5	115.5	173.5	0	0	0	0	0	113.7	N177 V178	N177-G198 VanDerWaalsContact CB-O 3.29Å; N177-G198 WeakPolarHBondContact CB-O 3.4Å; N177-G198 PolarHBondContact ND2-O 3.4Å; V178-G198 PolarHBondContact O-N 2.83Å
199	I	98.4	Very high	96.5	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.087	16%	0.158	C	C	.	.	S	Bend	trans	-121.3	113.8	171.8	-66.9	176.1	0	0	0	108.6	Y153 N177 V179 P201 T207 V213 G214	Y153-I199 HydrophobicContact CD2-CD1 4.2Å; Y153-I199 HydrophobicContact CE2-CD1 3.7Å; N177-I199 HydrophobicContact CB-CG1 4.27Å; V179-I199 HydrophobicContact CG1-CB 3.78Å; V179-I199 HydrophobicContact CG1-CD1 4.39Å; V179-I199 HydrophobicContact CG1-CG1 3.94Å; V179-I199 HydrophobicContact CG2-CD1 4.29Å; I199-P201 WeakPolarHBondContact O-CD 3.38Å; I199-T207 HydrophobicContact CG2-CG2 4.23Å; I199-V213 HydrophobicContact CG2-CG1 4.3Å; I199-G214 WeakPolarHBondContact O-CA 3.29Å
200	G	95.8	Very high	96.2	Very high	15 Å²	15	27.9 Å²	27.9	16%	0.155	16%	0.158	C	C	.	.	S	Bend	trans	84	0.7	-179.6	0	0	0	0	0	119.9	R208	G200-R208 PolarHBondContact O-NE 3.4Å
201	P	96.3	Very high	96	Very high	21 Å²	21	30.4 Å²	30.4	14%	0.136	17%	0.173	C	C	.	.			trans	-83.9	-11.1	-178.1	38.5	-41.4	0	0	0	113.3	I199 Q217 D238 G240	I199-P201 WeakPolarHBondContact O-CD 3.38Å; P201-Q217 HydrophobicContact CB-CB 4.11Å; P201-Q217 HydrophobicContact CB-CG 4.35Å; P201-D238 WeakPolarHBondContact CG-O 3.34Å; P201-G240 VanDerWaalsContact O-CA 3.24Å; P201-G240 WeakPolarHBondContact O-CA 3.33Å; P201-G240 PolarHBondContact O-N 3.38Å; P201-G240 VanDerWaalsContact O-N 3.15Å
202	G	93.9	Very high	95.9	Very high	26 Å²	26	33.3 Å²	33.3	27%	0.268	20%	0.203	S	C	.	.	S	Bend	trans	-63.1	142.2	-172.9	0	0	0	0	0	113.5	V204 C205	G202-V204 PolarHBondContact O-N 3.44Å; G202-V204 VanDerWaalsContact O-N 3.08Å; G202-C205 WeakPolarHBondContact O-CB 3.45Å; G202-C205 PolarHBondContact O-N 3.2Å
203	S	90.8	Very high	95.8	Very high	63 Å²	63	37.4 Å²	37.4	44%	0.441	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.7	-176	62	0	0	0	0	114.9	F285 R310	S203-F285 WeakPolarHBondContact OG-CE1 3.49Å; S203-R310 VanDerWaalsContact O-CZ 3.26Å; S203-R310 PolarHBondContact O-NE 2.98Å; S203-R310 PolarHBondContact O-NH2 3.27Å
204	V	93.4	Very high	95.7	Very high	7 Å²	7	39 Å²	39	4%	0.042	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	13.5	174.4	-69	0	0	0	0	112.2	M74 G202 F285 G309 R310 V312	M74-V204 HydrophobicContact CE-CG2 3.92Å; G202-V204 PolarHBondContact O-N 3.44Å; G202-V204 VanDerWaalsContact O-N 3.08Å; V204-F285 HydrophobicContact CB-CD1 4.48Å; V204-F285 HydrophobicContact CB-CE1 4.26Å; V204-F285 HydrophobicContact CG1-CD1 3.45Å; V204-F285 VanDerWaalsContact CG1-CD1 3.45Å; V204-F285 HydrophobicContact CG1-CE1 3.59Å; V204-F285 HydrophobicContact CG1-CG 4.37Å; V204-F285 HydrophobicContact CG2-CD1 4.21Å; V204-F285 HydrophobicContact CG2-CE1 3.64Å; V204-F285 HydrophobicContact CG2-CZ 3.91Å; V204-G309 CarbonylContact O-C 3.45Å; V204-G309 VanDerWaalsContact O-CA 3.27Å; V204-G309 WeakPolarHBondContact O-CA 3.36Å; V204-R310 HydrophobicContact CB-CG 4.15Å; V204-R310 HydrophobicContact CG1-CG 4.44Å; V204-R310 PolarHBondContact O-N 2.98Å; V204-V312 HydrophobicContact CG1-CG1 4.2Å; V204-V312 HydrophobicContact CG1-CG2 3.63Å
205	C	94.3	Very high	95.7	Very high	31 Å²	31	40.6 Å²	40.6	21%	0.209	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-84.7	142.2	175.3	-174.5	0	0	0	0	110.1	G202 T207	G202-C205 WeakPolarHBondContact O-CB 3.45Å; G202-C205 PolarHBondContact O-N 3.2Å; C205-T207 PolarHBondContact SG-N 2.95Å; C205-T207 PolarHBondContact SG-OG1 3.45Å
206	T	94.1	Very high	95.6	Very high	15 Å²	15	42.1 Å²	42.1	9%	0.092	26%	0.261	C	S	.	.			trans	-123.2	6.9	174.5	57.6	0	0	0	0	112.6	R208 I209 K210 S307 E308 G309 R310	T206-R208 PolarHBondContact O-N 3.26Å; T206-I209 WeakPolarHBondContact O-CA 3.11Å; T206-I209 WeakPolarHBondContact O-CB 3.19Å; T206-I209 PolarHBondContact O-N 2.9Å; T206-K210 WeakPolarHBondContact O-CG 3.37Å; T206-K210 PolarHBondContact O-N 3.03Å; T206-S307 PolarHBondContact OG1-O 3.27Å; T206-E308 PolarHBondContact N-O 3.08Å; T206-E308 WeakPolarHBondContact OG1-CA 3.34Å; T206-E308 PolarHBondContact OG1-O 3Å; T206-G309 PolarHBondContact OG1-N 3.44Å; T206-R310 HydrophobicContact CG2-CB 4.05Å; T206-R310 HydrophobicContact CG2-CG 4.18Å
207	T	94	Very high	95.6	Very high	18 Å²	18	42 Å²	42	11%	0.11	26%	0.261	C	S	.	.	H	α-helix	trans	-48	-53.4	177.6	-58.7	0	0	0	0	112.3	I199 C205 I209 K210 T211 E308	I199-T207 HydrophobicContact CG2-CG2 4.23Å; C205-T207 PolarHBondContact SG-N 2.95Å; C205-T207 PolarHBondContact SG-OG1 3.45Å; T207-I209 PolarHBondContact O-N 2.8Å; T207-I209 VanDerWaalsContact O-N 3.13Å; T207-K210 PolarHBondContact O-N 3.04Å; T207-K210 VanDerWaalsContact O-N 3.07Å; T207-T211 PolarHBondContact O-N 3.2Å; T207-T211 PolarHBondContact O-OG1 3.03Å; T207-E308 VanDerWaalsContact CB-OE2 3.29Å; T207-E308 WeakPolarHBondContact CB-OE2 3.35Å; T207-E308 WeakPolarHBondContact CG2-OE2 3.22Å; T207-E308 PolarHBondContact OG1-OE2 3.45Å
208	R	94.9	Very high	95.6	Very high	82 Å²	82	42 Å²	42	31%	0.309	26%	0.261	S	S	.	.	H	α-helix	trans	-54.6	-38.2	178.6	-66.4	-175.3	-177.1	178.6	3.8	112.7	D30 G200 T206 G212 V213 Y215	D30-R208 IonicContact OD1-NH2 3.93Å; D30-R208 IonicContact OD2-NH1 2.68Å; G200-R208 PolarHBondContact O-NE 3.4Å; T206-R208 PolarHBondContact O-N 3.26Å; R208-G212 VanDerWaalsContact O-CA 3.25Å; R208-G212 WeakPolarHBondContact O-CA 3.11Å; R208-G212 PolarHBondContact O-N 2.89Å; R208-G212 VanDerWaalsContact O-N 3.12Å; R208-V213 WeakPolarHBondContact CA-O 3.48Å; R208-Y215 PolarHBondContact NH2-O 3.03Å
209	I	92.4	Very high	95.6	Very high	130 Å²	130	42.6 Å²	42.6	67%	0.667	26%	0.264	S	S	*	.	H	α-helix	trans	-75.9	-39.6	-178.7	-61	171.2	0	0	0	110.8	T206 T207	T206-I209 WeakPolarHBondContact O-CA 3.11Å; T206-I209 WeakPolarHBondContact O-CB 3.19Å; T206-I209 PolarHBondContact O-N 2.9Å; T207-I209 PolarHBondContact O-N 2.8Å; T207-I209 VanDerWaalsContact O-N 3.13Å
210	K	92.9	Very high	95.6	Very high	130 Å²	130	41.8 Å²	41.8	57%	0.565	26%	0.26	S	S	*	.	H	α-helix	trans	-82.7	-34.6	-173.2	-67.6	-64.7	-173.3	179	0	113.4	T206 T207	T206-K210 WeakPolarHBondContact O-CG 3.37Å; T206-K210 PolarHBondContact O-N 3.03Å; T207-K210 PolarHBondContact O-N 3.04Å; T207-K210 VanDerWaalsContact O-N 3.07Å
211	T	94.4	Very high	95.8	Very high	69 Å²	69	41.1 Å²	41.1	42%	0.423	25%	0.253	S	S	.	.	H	α-helix	trans	-118.9	-15.7	-171.5	70.9	0	0	0	0	113.2	T207 V213	T207-T211 PolarHBondContact O-N 3.2Å; T207-T211 PolarHBondContact O-OG1 3.03Å; T211-V213 PolarHBondContact O-N 2.91Å; T211-V213 WeakPolarHBondContact OG1-CB 3.47Å; T211-V213 PolarHBondContact OG1-N 3.38Å; T211-V213 VanDerWaalsContact OG1-N 3.11Å
212	G	95.8	Very high	95.9	Very high	68 Å²	68	43.1 Å²	43.1	70%	0.701	26%	0.262	S	S	*	.	S	Bend	trans	73.8	-0.5	-170.1	0	0	0	0	0	113.9	R208	R208-G212 VanDerWaalsContact O-CA 3.25Å; R208-G212 WeakPolarHBondContact O-CA 3.11Å; R208-G212 PolarHBondContact O-N 2.89Å; R208-G212 VanDerWaalsContact O-N 3.12Å
213	V	97.3	Very high	96.1	Very high	85 Å²	85	44.7 Å²	44.7	52%	0.515	26%	0.262	S	S	.	.			trans	-90	133.7	-177.1	-178.5	0	0	0	0	110.7	I199 R208 T211	I199-V213 HydrophobicContact CG2-CG1 4.3Å; R208-V213 WeakPolarHBondContact CA-O 3.48Å; T211-V213 PolarHBondContact O-N 2.91Å; T211-V213 WeakPolarHBondContact OG1-CB 3.47Å; T211-V213 PolarHBondContact OG1-N 3.38Å; T211-V213 VanDerWaalsContact OG1-N 3.11Å
214	G	96.9	Very high	96.5	Very high	35 Å²	35	41.7 Å²	41.7	36%	0.361	24%	0.241	S	C	.	.			trans	165.6	177.2	171.5	0	0	0	0	0	111.9	I199	I199-G214 WeakPolarHBondContact O-CA 3.29Å
215	Y	98.1	Very high	96.8	Very high	32 Å²	32	41.4 Å²	41.4	13%	0.125	24%	0.239	C	C	.	.			trans	-143.2	137.5	179.3	-150.9	-74.7	0	0	0	109.4	K28 V179 T180 R208 Q217 A220 E223	K28-Y215 HydrophobicContact CD-CE1 3.9Å; K28-Y215 WeakPolarHBondContact CE-OH 3.32Å; K28-Y215 HydrophobicContact CG-CE1 4.26Å; K28-Y215 PolarHBondContact NZ-OH 3.17Å; V179-Y215 HydrophobicContact CB-CD2 4.37Å; V179-Y215 HydrophobicContact CB-CG 4.11Å; V179-Y215 HydrophobicContact CG2-CD2 4.1Å; V179-Y215 HydrophobicContact CG2-CG 4.23Å; T180-Y215 HydrophobicContact CG2-CD2 4.34Å; T180-Y215 HydrophobicContact CG2-CE2 4.07Å; R208-Y215 PolarHBondContact NH2-O 3.03Å; Y215-Q217 PolarHBondContact O-N 2.88Å; Y215-A220 HydrophobicContact CD1-CB 3.76Å; Y215-A220 HydrophobicContact CE1-CB 4.39Å; Y215-A220 HydrophobicContact CG-CB 4.29Å; Y215-E223 PolarHBondContact OH-OE2 2.8Å
216	P	98.3	Very high	96.9	Very high	33 Å²	33	45.4 Å²	45.4	21%	0.214	26%	0.259	C	S	.	.			trans	-57.7	127.5	174.8	-30.2	40.7	0	0	0	112.1	K28 L29 D30 L218 S219 A220	K28-P216 HydrophobicContact CB-CB 4.05Å; K28-P216 HydrophobicContact CB-CG 3.62Å; L29-P216 CarbonylContact O-C 3.42Å; L29-P216 WeakPolarHBondContact O-CB 3.25Å; D30-P216 WeakPolarHBondContact OD1-CA 3.31Å; P216-L218 PolarHBondContact O-N 2.71Å; P216-S219 PolarHBondContact O-N 2.96Å; P216-A220 PolarHBondContact O-N 3.1Å
217	Q	98.8	Very high	97.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-37.1	-158.4	-175.5	63.4	13.8	0	0	112.6	D30 F31 V197 P201 Y215 A220 V221 S237	D30-Q217 PolarHBondContact OD1-N 3.4Å; F31-Q217 HydrophobicContact CE1-CG 4.49Å; F31-Q217 HydrophobicContact CE2-CB 4.01Å; F31-Q217 HydrophobicContact CE2-CG 3.58Å; F31-Q217 HydrophobicContact CZ-CB 4.17Å; F31-Q217 HydrophobicContact CZ-CG 3.51Å; V197-Q217 PolarHBondContact O-NE2 2.91Å; P201-Q217 HydrophobicContact CB-CB 4.11Å; P201-Q217 HydrophobicContact CB-CG 4.35Å; Y215-Q217 PolarHBondContact O-N 2.88Å; Q217-A220 PolarHBondContact O-N 3.11Å; Q217-V221 HydrophobicContact CG-CG2 4.45Å; Q217-V221 WeakPolarHBondContact O-CB 3.47Å; Q217-V221 VanDerWaalsContact O-CG2 3.22Å; Q217-V221 WeakPolarHBondContact O-CG2 2.94Å; Q217-V221 PolarHBondContact O-N 3.43Å; Q217-S237 PolarHBondContact NE2-OG 2.89Å; Q217-S237 VanDerWaalsContact NE2-OG 3.16Å
218	L	98.8	Very high	97.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-46.2	179.3	178.1	74.4	0	0	0	110.6	L29 F31 V34 P216 V221 I222 A253 F352	L29-L218 HydrophobicContact CB-CD2 4.01Å; L29-L218 WeakPolarHBondContact O-CB 3.25Å; L29-L218 PolarHBondContact O-N 3.08Å; F31-L218 HydrophobicContact CD1-CB 4.09Å; F31-L218 HydrophobicContact CD1-CD1 4.02Å; F31-L218 HydrophobicContact CE1-CB 4.32Å; F31-L218 HydrophobicContact CE1-CD1 4.16Å; V34-L218 HydrophobicContact CB-CD2 4.17Å; V34-L218 HydrophobicContact CG1-CD2 3.64Å; V34-L218 HydrophobicContact CG2-CD2 3.41Å; V34-L218 VanDerWaalsContact CG2-CD2 3.41Å; P216-L218 PolarHBondContact O-N 2.71Å; L218-V221 PolarHBondContact O-N 2.9Å; L218-I222 HydrophobicContact CG-CD1 4.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.09Å; L218-I222 PolarHBondContact O-N 2.83Å; L218-I222 VanDerWaalsContact O-N 3.09Å; L218-A253 HydrophobicContact CD1-CB 3.58Å; L218-F352 HydrophobicContact CD1-CE2 3.98Å; L218-F352 HydrophobicContact CD1-CZ 4.02Å
219	S	98.7	Very high	97.6	Very high	17 Å²	17	44.7 Å²	44.7	12%	0.119	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-41	176.8	-71.2	0	0	0	0	112.6	K28 L29 P216 V221 I222 E223	K28-S219 WeakPolarHBondContact CA-OG 3.43Å; L29-S219 PolarHBondContact N-OG 3.12Å; L29-S219 PolarHBondContact O-N 3.46Å; L29-S219 VanDerWaalsContact O-N 3.1Å; P216-S219 PolarHBondContact O-N 2.96Å; S219-V221 VanDerWaalsContact C-N 3.31Å; S219-V221 PolarHBondContact O-N 3.33Å; S219-I222 PolarHBondContact O-N 3.48Å; S219-E223 WeakPolarHBondContact O-CB 3.49Å; S219-E223 PolarHBondContact O-N 3.33Å
220	A	98.8	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.5	-43	175.3	0	0	0	0	0	111.4	V179 V197 Y215 P216 Q217 E223 C224	V179-A220 HydrophobicContact CB-CB 4.13Å; V179-A220 HydrophobicContact CG1-CB 4.33Å; V197-A220 HydrophobicContact CG1-CB 3.98Å; Y215-A220 HydrophobicContact CD1-CB 3.76Å; Y215-A220 HydrophobicContact CE1-CB 4.39Å; Y215-A220 HydrophobicContact CG-CB 4.29Å; P216-A220 PolarHBondContact O-N 3.1Å; Q217-A220 PolarHBondContact O-N 3.11Å; A220-E223 PolarHBondContact O-N 2.88Å; A220-C224 WeakPolarHBondContact O-CB 3.41Å; A220-C224 PolarHBondContact O-N 2.67Å; A220-C224 PolarHBondContact O-SG 2.83Å
221	V	98.9	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-45.2	177.2	168.7	0	0	0	0	111.7	Q217 L218 S219 A225 I235 S237 A253 A255	Q217-V221 HydrophobicContact CG-CG2 4.45Å; Q217-V221 WeakPolarHBondContact O-CB 3.47Å; Q217-V221 VanDerWaalsContact O-CG2 3.22Å; Q217-V221 WeakPolarHBondContact O-CG2 2.94Å; Q217-V221 PolarHBondContact O-N 3.43Å; L218-V221 PolarHBondContact O-N 2.9Å; S219-V221 VanDerWaalsContact C-N 3.31Å; S219-V221 PolarHBondContact O-N 3.33Å; V221-A225 WeakPolarHBondContact O-CB 3.49Å; V221-A225 PolarHBondContact O-N 3.27Å; V221-I235 HydrophobicContact CG1-CD1 4.07Å; V221-S237 WeakPolarHBondContact CG2-OG 3.21Å; V221-A253 HydrophobicContact CB-CB 4.35Å; V221-A253 HydrophobicContact CG1-CB 3.66Å; V221-A255 HydrophobicContact CG1-CB 3.9Å
222	I	98.8	Very high	98.3	Very high	63 Å²	63	42.4 Å²	42.4	32%	0.323	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-52.3	178.7	-66.8	168.5	0	0	0	110.1	L218 S219 C224 A225 D226 A253	L218-I222 HydrophobicContact CG-CD1 4.27Å; L218-I222 WeakPolarHBondContact O-CG1 3.09Å; L218-I222 PolarHBondContact O-N 2.83Å; L218-I222 VanDerWaalsContact O-N 3.09Å; S219-I222 PolarHBondContact O-N 3.48Å; I222-C224 PolarHBondContact O-N 3.2Å; I222-A225 PolarHBondContact O-N 3.16Å; I222-D226 PolarHBondContact O-N 2.77Å; I222-A253 HydrophobicContact CG1-CB 3.84Å
223	E	98.6	Very high	98.4	Very high	60 Å²	60	39.2 Å²	39.2	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-60.3	-48.1	-178.7	-172.4	-175.7	135.9	0	0	111.8	T180 G181 Y215 S219 A220 S227	T180-E223 WeakPolarHBondContact CA-OE1 2.94Å; T180-E223 WeakPolarHBondContact CB-OE1 3.34Å; G181-E223 PolarHBondContact N-OE1 2.85Å; Y215-E223 PolarHBondContact OH-OE2 2.8Å; S219-E223 WeakPolarHBondContact O-CB 3.49Å; S219-E223 PolarHBondContact O-N 3.33Å; A220-E223 PolarHBondContact O-N 2.88Å; E223-S227 PolarHBondContact O-N 2.76Å
224	C	98.8	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-70.7	-34	-178	-67.9	0	0	0	0	112.8	V184 V197 A220 I222 A228 I235	V184-C224 HydrophobicContact CG2-CB 3.66Å; V184-C224 VanDerWaalsContact CG2-SG 3.58Å; V197-C224 HydrophobicContact CB-CB 4.46Å; V197-C224 HydrophobicContact CG1-CB 4.02Å; V197-C224 HydrophobicContact CG2-CB 3.58Å; A220-C224 WeakPolarHBondContact O-CB 3.41Å; A220-C224 PolarHBondContact O-N 2.67Å; A220-C224 PolarHBondContact O-SG 2.83Å; I222-C224 PolarHBondContact O-N 3.2Å; C224-A228 VanDerWaalsContact O-CB 3.29Å; C224-A228 WeakPolarHBondContact O-CB 3.35Å; C224-A228 PolarHBondContact O-N 3.13Å; C224-I235 HydrophobicContact CB-CD1 4.36Å; C224-I235 HydrophobicContact CB-CG2 4.42Å
225	A	98.8	Very high	98.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-46.6	177.3	0	0	0	0	0	110.4	V221 I222 S227 A228 H229 I235	V221-A225 WeakPolarHBondContact O-CB 3.49Å; V221-A225 PolarHBondContact O-N 3.27Å; I222-A225 PolarHBondContact O-N 3.16Å; A225-S227 PolarHBondContact O-N 3.15Å; A225-A228 PolarHBondContact O-N 2.93Å; A225-H229 VanDerWaalsContact O-CB 3.26Å; A225-H229 WeakPolarHBondContact O-CB 3.22Å; A225-H229 PolarHBondContact O-CD2 2.8Å; A225-H229 PolarHBondContact O-N 2.84Å; A225-I235 HydrophobicContact CB-CD1 3.7Å; A225-I235 HydrophobicContact CB-CG1 4.3Å
226	D	97.9	Very high	98.7	Very high	114 Å²	114	32.9 Å²	32.9	61%	0.61	18%	0.183	S	C	*	.	H	α-helix	trans	-58.7	-49	179.3	-75	-14.1	0	0	0	111.2	I222 G230	I222-D226 PolarHBondContact O-N 2.77Å; D226-G230 PolarHBondContact O-N 3.12Å
227	S	98.5	Very high	98.7	Very high	22 Å²	22	31.3 Å²	31.3	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-46.9	176	-83.2	0	0	0	0	112.8	G181 E185 E223 A225 G230 L231	G181-S227 VanDerWaalsContact CA-OG 3.27Å; G181-S227 WeakPolarHBondContact CA-OG 3.42Å; G181-S227 PolarHBondContact O-OG 3.2Å; E185-S227 PolarHBondContact OE1-OG 2.93Å; E223-S227 PolarHBondContact O-N 2.76Å; A225-S227 PolarHBondContact O-N 3.15Å; S227-G230 PolarHBondContact O-N 3.3Å; S227-L231 PolarHBondContact O-N 2.97Å
228	A	98.8	Very high	98.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.5	-46.8	-179.8	0	0	0	0	0	112.1	V184 I188 C224 A225 G230 L231 K232 G233 I235	V184-A228 HydrophobicContact CG1-CB 3.71Å; I188-A228 HydrophobicContact CD1-CB 3.78Å; C224-A228 VanDerWaalsContact O-CB 3.29Å; C224-A228 WeakPolarHBondContact O-CB 3.35Å; C224-A228 PolarHBondContact O-N 3.13Å; A225-A228 PolarHBondContact O-N 2.93Å; A228-G230 VanDerWaalsContact C-N 3.31Å; A228-G230 PolarHBondContact O-N 3.03Å; A228-L231 CarbonylContact O-C 3.5Å; A228-L231 PolarHBondContact O-N 2.87Å; A228-L231 VanDerWaalsContact O-N 3.08Å; A228-K232 PolarHBondContact O-N 3.23Å; A228-K232 VanDerWaalsContact O-N 3.15Å; A228-G233 WeakPolarHBondContact O-CA 3.32Å; A228-G233 PolarHBondContact O-N 3.19Å; A228-I235 HydrophobicContact CB-CG2 3.4Å
229	H	98.7	Very high	98.6	Very high	78 Å²	78	32.9 Å²	32.9	36%	0.361	18%	0.184	S	C	.	.	H	α-helix	trans	-67.6	-33.2	-177.7	-65.5	174	0	0	0	111.6	A225 L231 K232 G254 D256	A225-H229 VanDerWaalsContact O-CB 3.26Å; A225-H229 WeakPolarHBondContact O-CB 3.22Å; A225-H229 PolarHBondContact O-CD2 2.8Å; A225-H229 PolarHBondContact O-N 2.84Å; H229-L231 PolarHBondContact O-N 3.25Å; H229-K232 PolarHBondContact O-N 3.28Å; H229-G254 PolarHBondContact CE1-O 3.41Å; H229-D256 IonicContact CD2-OD2 2.81Å; H229-D256 IonicContact CE1-OD2 3.04Å; H229-D256 IonicContact NE2-OD1 2.8Å; H229-D256 PolarHBondContact NE2-OD1 2.8Å; H229-D256 IonicContact NE2-OD2 2.76Å; H229-D256 PolarHBondContact NE2-OD2 3.43Å
230	G	98.4	Very high	98.5	Very high	67 Å²	67	33.5 Å²	33.5	69%	0.691	19%	0.193	S	C	*	.	H	α-helix	trans	-56.4	-34.6	170.5	0	0	0	0	0	113.1	D226 S227 A228	D226-G230 PolarHBondContact O-N 3.12Å; S227-G230 PolarHBondContact O-N 3.3Å; A228-G230 VanDerWaalsContact C-N 3.31Å; A228-G230 PolarHBondContact O-N 3.03Å
231	L	98.5	Very high	98.4	Very high	46 Å²	46	34.2 Å²	34.2	24%	0.241	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.8	174.8	-64.3	-177.8	0	0	0	114.3	R58 E185 I188 L189 S227 A228 H229 G233	R58-L231 WeakPolarHBondContact CD-O 3.24Å; R58-L231 PolarHBondContact NE-O 2.86Å; E185-L231 HydrophobicContact CB-CD1 3.85Å; E185-L231 HydrophobicContact CG-CD1 3.78Å; E185-L231 HydrophobicContact CG-CG 4.44Å; I188-L231 HydrophobicContact CB-CD1 4.14Å; I188-L231 HydrophobicContact CD1-CD1 4.49Å; I188-L231 HydrophobicContact CG2-CB 4.05Å; I188-L231 HydrophobicContact CG2-CD1 4Å; L189-L231 HydrophobicContact CD2-CD1 4.34Å; L189-L231 HydrophobicContact CG-CD1 4.11Å; S227-L231 PolarHBondContact O-N 2.97Å; A228-L231 CarbonylContact O-C 3.5Å; A228-L231 PolarHBondContact O-N 2.87Å; A228-L231 VanDerWaalsContact O-N 3.08Å; H229-L231 PolarHBondContact O-N 3.25Å; L231-G233 PolarHBondContact O-N 3.49Å
232	K	98.6	Very high	98.3	Very high	168 Å²	168	38.8 Å²	38.8	73%	0.73	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	22.3	-170.7	-52.3	177.2	178.9	178	0	113.7	A228 H229	A228-K232 PolarHBondContact O-N 3.23Å; A228-K232 VanDerWaalsContact O-N 3.15Å; H229-K232 PolarHBondContact O-N 3.28Å
233	G	98.7	Very high	98.3	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	23%	0.227	C	C	.	.			trans	-83.2	-178.1	165.9	0	0	0	0	0	111.5	A228 L231	A228-G233 WeakPolarHBondContact O-CA 3.32Å; A228-G233 PolarHBondContact O-N 3.19Å; L231-G233 PolarHBondContact O-N 3.49Å
234	H	98.9	Very high	98.3	Very high	18 Å²	18	36 Å²	36	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	163.8	-178.3	-60.4	74	0	0	0	110.4	F55 T56 F57 D193 I194 I195 D256	F55-H234 AromaticContact CD1-CD2 3.35Å; F55-H234 WeakPolarHBondContact CD1-CD2 3.37Å; F55-H234 AromaticContact CD1-NE2 3.22Å; F55-H234 WeakPolarHBondContact CD1-NE2 3.4Å; F55-H234 AromaticContact CE1-CD2 3.67Å; F55-H234 AromaticContact CE1-NE2 3.95Å; F55-H234 AromaticContact CG-CD2 3.79Å; F55-H234 AromaticContact CG-NE2 3.69Å; T56-H234 PolarHBondContact O-CE1 3.3Å; F57-H234 AromaticContact CD1-ND1 3.76Å; D193-H234 PolarHBondContact O-N 2.83Å; D193-H234 VanDerWaalsContact O-N 3.13Å; I194-H234 CarbonylContact C-O 3.59Å; I194-H234 VanDerWaalsContact CA-O 3.26Å; I194-H234 WeakPolarHBondContact CA-O 3.09Å; I194-H234 HydrophobicContact CB-CB 4.46Å; I194-H234 HydrophobicContact CG1-CB 4.29Å; I194-H234 HydrophobicContact CG2-CB 3.98Å; I195-H234 PolarHBondContact N-O 3.07Å; H234-D256 WeakPolarHBondContact CA-OD2 3.27Å; H234-D256 HydrophobicContact CB-CB 3.99Å; H234-D256 WeakPolarHBondContact CB-OD2 3.23Å; H234-D256 IonicContact CD2-OD1 3.92Å; H234-D256 IonicContact CD2-OD2 2.6Å; H234-D256 IonicContact CG-OD2 3.82Å
235	I	98.9	Very high	98.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	156.9	174.1	67.2	158.9	0	0	0	113.8	I195 V197 V221 C224 A225 A228 A255 D256 F257	I195-I235 HydrophobicContact CB-CG2 4.39Å; I195-I235 CarbonylContact O-C 3.5Å; I195-I235 VanDerWaalsContact O-CA 3.25Å; I195-I235 WeakPolarHBondContact O-CA 3.5Å; V197-I235 HydrophobicContact CG2-CB 4.05Å; V197-I235 HydrophobicContact CG2-CD1 4.31Å; V197-I235 HydrophobicContact CG2-CG2 4.19Å; V221-I235 HydrophobicContact CG1-CD1 4.07Å; C224-I235 HydrophobicContact CB-CD1 4.36Å; C224-I235 HydrophobicContact CB-CG2 4.42Å; A225-I235 HydrophobicContact CB-CD1 3.7Å; A225-I235 HydrophobicContact CB-CG1 4.3Å; A228-I235 HydrophobicContact CB-CG2 3.4Å; I235-A255 HydrophobicContact CD1-CB 4.34Å; I235-A255 HydrophobicContact CG1-CB 4.44Å; I235-D256 PolarHBondContact N-OD2 2.95Å; I235-D256 WeakPolarHBondContact O-CB 3.47Å; I235-D256 PolarHBondContact O-N 3.35Å; I235-F257 PolarHBondContact O-N 2.8Å
236	I	99	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.1	168.5	-48.2	174.1	0	0	0	107.6	I70 M174 I194 I195 K196 V197 D238 F257 M259	I70-I236 HydrophobicContact CD1-CD1 3.66Å; I70-I236 HydrophobicContact CD1-CG1 4.01Å; I70-I236 HydrophobicContact CD1-CG2 3.97Å; M174-I236 HydrophobicContact CB-CD1 4.11Å; M174-I236 HydrophobicContact CG-CD1 3.93Å; M174-I236 HydrophobicContact SD-CD1 3.69Å; I194-I236 HydrophobicContact CG2-CD1 3.99Å; I194-I236 HydrophobicContact CG2-CG1 3.47Å; I194-I236 VanDerWaalsContact CG2-CG1 3.47Å; I195-I236 PolarHBondContact O-N 2.93Å; K196-I236 HydrophobicContact CD-CD1 4.36Å; K196-I236 HydrophobicContact CG-CB 4.14Å; K196-I236 HydrophobicContact CG-CD1 4.22Å; K196-I236 HydrophobicContact CG-CG2 4.37Å; V197-I236 WeakPolarHBondContact CB-O 3.47Å; V197-I236 PolarHBondContact N-O 3.12Å; I236-D238 PolarHBondContact O-N 3.18Å; I236-F257 CarbonylContact C-O 3.59Å; I236-F257 WeakPolarHBondContact CA-O 3.41Å; I236-F257 HydrophobicContact CB-CB 4.32Å; I236-F257 HydrophobicContact CG1-CB 4.02Å; I236-F257 HydrophobicContact CG2-CB 4.18Å; I236-M259 HydrophobicContact CG2-CB 3.55Å
237	S	98.9	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	110.5	163.9	175.3	0	0	0	0	108.9	Q217 V221 F257 M259	Q217-S237 PolarHBondContact NE2-OG 2.89Å; Q217-S237 VanDerWaalsContact NE2-OG 3.16Å; V221-S237 WeakPolarHBondContact CG2-OG 3.21Å; S237-F257 PolarHBondContact N-O 2.85Å; S237-M259 PolarHBondContact O-N 2.97Å
238	D	98.8	Very high	98.4	Very high	23 Å²	23	31 Å²	31	12%	0.123	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.6	-175.2	179.3	23.6	0	0	0	112.7	N177 K196 V197 P201 I236 M259	N177-D238 PolarHBondContact ND2-OD2 3.11Å; K196-D238 HydrophobicContact CD-CB 4.46Å; K196-D238 HydrophobicContact CG-CB 3.71Å; K196-D238 IonicContact NZ-OD2 3.87Å; K196-D238 PolarHBondContact NZ-OD2 3.21Å; V197-D238 PolarHBondContact O-N 2.87Å; P201-D238 WeakPolarHBondContact CG-O 3.34Å; I236-D238 PolarHBondContact O-N 3.18Å; D238-M259 HydrophobicContact CB-CB 4.19Å; D238-M259 HydrophobicContact CB-SD 4.37Å; D238-M259 WeakPolarHBondContact OD1-CG 3.22Å; D238-M259 VanDerWaalsContact OD1-SD 3.37Å
239	G	96.1	Very high	98.4	Very high	12 Å²	12	31.2 Å²	31.2	12%	0.124	20%	0.2	C	C	.	.	S	Bend	trans	89.5	176.3	178.9	0	0	0	0	0	114.4	C241	G239-C241 PolarHBondContact O-N 2.87Å; G239-C241 VanDerWaalsContact O-N 3.07Å
240	G	96.3	Very high	98.4	Very high	29 Å²	29	27.5 Å²	27.5	30%	0.299	18%	0.183	S	C	.	.			trans	77.1	-20.4	179.5	0	0	0	0	0	116.4	P201 S242	P201-G240 VanDerWaalsContact O-CA 3.24Å; P201-G240 WeakPolarHBondContact O-CA 3.33Å; P201-G240 PolarHBondContact O-N 3.38Å; P201-G240 VanDerWaalsContact O-N 3.15Å; G240-S242 PolarHBondContact O-N 2.86Å
241	C	98.4	Very high	98.4	Very high	16 Å²	16	24.5 Å²	24.5	11%	0.108	15%	0.151	C	C	.	.			trans	-73.1	125.3	176.1	-66.9	0	0	0	0	111.1	G239 D246 V247 M263	G239-C241 PolarHBondContact O-N 2.87Å; G239-C241 VanDerWaalsContact O-N 3.07Å; C241-D246 HydrophobicContact CB-CB 4.04Å; C241-V247 HydrophobicContact CB-CG2 4.04Å; C241-M263 HydrophobicContact CB-SD 3.94Å; C241-M263 WeakPolarHBondContact O-CG 3.47Å
242	S	96.9	Very high	98.4	Very high	95 Å²	95	22.6 Å²	22.6	66%	0.664	14%	0.142	S	C	*	.			trans	-121.1	-17.6	-179.3	67.7	0	0	0	0	113.5	G240 D246	G240-S242 PolarHBondContact O-N 2.86Å; S242-D246 PolarHBondContact N-OD2 3.43Å; S242-D246 PolarHBondContact OG-OD2 2.74Å
243	C	97.9	Very high	98.4	Very high	41 Å²	41	15.1 Å²	15.1	28%	0.277	11%	0.112	S	C	.	.	S	Bend	trans	-142.2	163.9	177.1	69.2	0	0	0	0	111.2	G245 D246 V247 M263	C243-G245 PolarHBondContact O-N 3.35Å; C243-G245 VanDerWaalsContact O-N 3.12Å; C243-D246 PolarHBondContact N-OD2 3.43Å; C243-D246 PolarHBondContact O-N 3.09Å; C243-D246 PolarHBondContact SG-OD2 2.91Å; C243-V247 PolarHBondContact O-N 3.07Å; C243-M263 VanDerWaalsContact C-CE 3.47Å
244	P	98.6	Very high	98.4	Very high	23 Å²	23	15.5 Å²	15.5	15%	0.149	12%	0.116	C	C	.	.	H	α-helix	trans	-54.7	-31	176.1	-28.2	35.6	0	0	0	114.2	D246 V247 A248 D326 V327	P244-D246 VanDerWaalsContact C-N 3.33Å; P244-D246 PolarHBondContact O-N 2.81Å; P244-V247 PolarHBondContact O-N 3.47Å; P244-A248 PolarHBondContact O-N 2.74Å; P244-D326 VanDerWaalsContact CG-OD2 3.25Å; P244-D326 WeakPolarHBondContact CG-OD2 3.45Å; P244-V327 HydrophobicContact CG-CG2 4.23Å
245	G	98.6	Very high	98.4	Very high	28 Å²	28	14.7 Å²	14.7	29%	0.289	11%	0.112	S	C	.	.	H	α-helix	trans	-63.5	-36.5	176	0	0	0	0	0	113	C243 A248 K249	C243-G245 PolarHBondContact O-N 3.35Å; C243-G245 VanDerWaalsContact O-N 3.12Å; G245-A248 PolarHBondContact O-N 3.13Å; G245-K249 VanDerWaalsContact O-CG 3.25Å; G245-K249 WeakPolarHBondContact O-CG 3.41Å; G245-K249 PolarHBondContact O-N 3.13Å
246	D	98.8	Very high	98.4	Very high	3 Å²	3	15 Å²	15	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-70	-40.5	177.7	-57.5	-28.5	0	0	0	110.9	F31 C241 S242 C243 P244 A248 K249 A250 Q358	F31-D246 HydrophobicContact CB-CB 4.14Å; F31-D246 HydrophobicContact CD2-CB 4.01Å; F31-D246 HydrophobicContact CG-CB 4.07Å; C241-D246 HydrophobicContact CB-CB 4.04Å; S242-D246 PolarHBondContact N-OD2 3.43Å; S242-D246 PolarHBondContact OG-OD2 2.74Å; C243-D246 PolarHBondContact N-OD2 3.43Å; C243-D246 PolarHBondContact O-N 3.09Å; C243-D246 PolarHBondContact SG-OD2 2.91Å; P244-D246 VanDerWaalsContact C-N 3.33Å; P244-D246 PolarHBondContact O-N 2.81Å; D246-A248 VanDerWaalsContact C-N 3.29Å; D246-A248 PolarHBondContact O-N 3.28Å; D246-K249 WeakPolarHBondContact O-CB 3.31Å; D246-K249 PolarHBondContact O-N 2.86Å; D246-K249 VanDerWaalsContact O-N 3.11Å; D246-K249 IonicContact OD1-NZ 2.92Å; D246-A250 PolarHBondContact O-N 2.87Å; D246-Q358 PolarHBondContact OD1-NE2 3.29Å
247	V	98.9	Very high	98.4	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-57.6	-45.7	172.6	177.5	0	0	0	0	110.3	I69 C241 C243 P244 K249 A250 F251 V258 M260 M263 V327	I69-V247 HydrophobicContact CD1-CG1 4.25Å; C241-V247 HydrophobicContact CB-CG2 4.04Å; C243-V247 PolarHBondContact O-N 3.07Å; P244-V247 PolarHBondContact O-N 3.47Å; V247-K249 PolarHBondContact O-N 2.9Å; V247-A250 PolarHBondContact O-N 2.64Å; V247-F251 HydrophobicContact CG1-CD2 4.02Å; V247-F251 HydrophobicContact CG1-CE2 3.64Å; V247-F251 WeakPolarHBondContact O-CD2 3.31Å; V247-F251 PolarHBondContact O-N 3.41Å; V247-F251 VanDerWaalsContact O-N 3.16Å; V247-V258 HydrophobicContact CB-CG1 4.48Å; V247-V258 HydrophobicContact CG1-CB 4.22Å; V247-V258 HydrophobicContact CG1-CG1 4.11Å; V247-V258 HydrophobicContact CG1-CG2 4.32Å; V247-V258 HydrophobicContact CG2-CG1 4.32Å; V247-M260 HydrophobicContact CG2-CG 4.5Å; V247-M260 HydrophobicContact CG2-SD 3.68Å; V247-M263 HydrophobicContact CG2-CE 4.32Å; V247-M263 HydrophobicContact CG2-SD 3.94Å; V247-V327 HydrophobicContact CG1-CG1 4.26Å; V247-V327 HydrophobicContact CG2-CG1 4.36Å
248	A	98.9	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-41.2	175.9	0	0	0	0	0	112	F36 P244 G245 D246 F251 G252 L331 T334	F36-A248 HydrophobicContact CE2-CB 4.11Å; F36-A248 WeakPolarHBondContact CZ-O 3.1Å; P244-A248 PolarHBondContact O-N 2.74Å; G245-A248 PolarHBondContact O-N 3.13Å; D246-A248 VanDerWaalsContact C-N 3.29Å; D246-A248 PolarHBondContact O-N 3.28Å; A248-F251 PolarHBondContact O-N 3.47Å; A248-G252 PolarHBondContact O-N 3.49Å; A248-L331 HydrophobicContact CB-CD1 3.75Å; A248-T334 HydrophobicContact CB-CG2 3.93Å
249	K	98.9	Very high	98.4	Very high	5 Å²	5	14 Å²	14	2%	0.022	11%	0.109	C	C	.	.	H	α-helix	trans	-62.3	-41.1	176	-71.3	167.1	-173.2	178.1	0	112	F31 V34 F36 G245 D246 V247 G252 A253 F352	F31-K249 HydrophobicContact CB-CD 4.08Å; F31-K249 HydrophobicContact CD1-CB 3.84Å; F31-K249 HydrophobicContact CE1-CB 4.45Å; F31-K249 VanDerWaalsContact O-CD 3.28Å; F31-K249 WeakPolarHBondContact O-CD 3.44Å; F31-K249 WeakPolarHBondContact O-CE 3.46Å; F31-K249 PolarHBondContact O-NZ 3.11Å; V34-K249 HydrophobicContact CG2-CD 4.14Å; V34-K249 HydrophobicContact CG2-CG 4.48Å; V34-K249 WeakPolarHBondContact O-CE 3.42Å; V34-K249 PolarHBondContact O-NZ 2.97Å; F36-K249 HydrophobicContact CD2-CG 4.29Å; F36-K249 HydrophobicContact CE2-CB 4.3Å; F36-K249 HydrophobicContact CE2-CG 3.64Å; F36-K249 HydrophobicContact CZ-CG 4.32Å; G245-K249 VanDerWaalsContact O-CG 3.25Å; G245-K249 WeakPolarHBondContact O-CG 3.41Å; G245-K249 PolarHBondContact O-N 3.13Å; D246-K249 WeakPolarHBondContact O-CB 3.31Å; D246-K249 PolarHBondContact O-N 2.86Å; D246-K249 VanDerWaalsContact O-N 3.11Å; D246-K249 IonicContact OD1-NZ 2.92Å; V247-K249 PolarHBondContact O-N 2.9Å; K249-G252 CarbonylContact O-C 3.51Å; K249-G252 PolarHBondContact O-N 2.82Å; K249-A253 VanDerWaalsContact O-CB 3.25Å; K249-A253 WeakPolarHBondContact O-CB 3.28Å; K249-A253 PolarHBondContact O-N 2.81Å; K249-F352 HydrophobicContact CB-CE1 4.26Å; K249-F352 HydrophobicContact CB-CZ 4.37Å; K249-F352 HydrophobicContact CG-CE1 4.05Å; K249-F352 WeakPolarHBondContact O-CZ 3.18Å
250	A	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.8	-47.4	175	0	0	0	0	0	111.8	F31 D246 V247 G252 A253 G254 A255 V258	F31-A250 HydrophobicContact CE1-CB 3.83Å; F31-A250 HydrophobicContact CZ-CB 3.88Å; D246-A250 PolarHBondContact O-N 2.87Å; V247-A250 PolarHBondContact O-N 2.64Å; A250-G252 VanDerWaalsContact C-N 3.35Å; A250-G252 PolarHBondContact O-N 2.94Å; A250-A253 PolarHBondContact O-N 2.97Å; A250-G254 PolarHBondContact O-N 3.15Å; A250-A255 VanDerWaalsContact O-CB 3.25Å; A250-A255 WeakPolarHBondContact O-CB 3.16Å; A250-A255 PolarHBondContact O-N 3.11Å; A250-A255 VanDerWaalsContact O-N 3.1Å; A250-V258 HydrophobicContact CB-CG1 4.45Å; A250-V258 HydrophobicContact CB-CG2 3.61Å
251	F	98.9	Very high	98.6	Very high	5 Å²	5	12.8 Å²	12.8	2%	0.022	10%	0.095	C	C	.	.	H	α-helix	trans	-63.1	-40.8	172.7	-72.4	-58.6	0	0	0	112.5	P68 I69 V247 A248 A253 G254 A255 V258 L331 L343 L346	P68-F251 HydrophobicContact CB-CE1 4.42Å; P68-F251 HydrophobicContact CG-CE1 3.69Å; P68-F251 HydrophobicContact CG-CZ 3.91Å; P68-F251 WeakPolarHBondContact O-CZ 3.3Å; I69-F251 HydrophobicContact CD1-CE2 4.43Å; I69-F251 HydrophobicContact CG1-CE2 4.03Å; I69-F251 HydrophobicContact CG1-CZ 3.91Å; V247-F251 HydrophobicContact CG1-CD2 4.02Å; V247-F251 HydrophobicContact CG1-CE2 3.64Å; V247-F251 WeakPolarHBondContact O-CD2 3.31Å; V247-F251 PolarHBondContact O-N 3.41Å; V247-F251 VanDerWaalsContact O-N 3.16Å; A248-F251 PolarHBondContact O-N 3.47Å; F251-A253 PolarHBondContact O-N 2.88Å; F251-G254 PolarHBondContact O-N 2.99Å; F251-G254 VanDerWaalsContact O-N 3.11Å; F251-A255 WeakPolarHBondContact CD1-O 3.43Å; F251-V258 HydrophobicContact CD1-CG2 4.01Å; F251-V258 HydrophobicContact CD2-CG2 3.92Å; F251-V258 HydrophobicContact CE1-CG2 3.76Å; F251-V258 HydrophobicContact CE2-CB 4.23Å; F251-V258 HydrophobicContact CE2-CG2 3.69Å; F251-V258 HydrophobicContact CG-CG2 4.07Å; F251-V258 HydrophobicContact CZ-CB 4.03Å; F251-V258 HydrophobicContact CZ-CG2 3.59Å; F251-L331 HydrophobicContact CD2-CD1 3.9Å; F251-L331 HydrophobicContact CD2-CD2 3.98Å; F251-L331 HydrophobicContact CE2-CD2 3.81Å; F251-L343 HydrophobicContact CB-CD1 4.24Å; F251-L343 HydrophobicContact CD1-CD2 4.38Å; F251-L343 HydrophobicContact CD2-CD1 4.24Å; F251-L343 HydrophobicContact CE1-CD2 4.24Å; F251-L343 HydrophobicContact CE2-CD2 4.4Å; F251-L343 HydrophobicContact CG-CD1 4.12Å; F251-L343 HydrophobicContact CZ-CD2 4.25Å; F251-L346 HydrophobicContact CB-CD2 3.73Å
252	G	98.8	Very high	98.5	Very high	5 Å²	5	12.9 Å²	12.9	5%	0.052	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-29.6	177.6	0	0	0	0	0	113.3	A248 K249 A250 G254 S347 T350	A248-G252 PolarHBondContact O-N 3.49Å; K249-G252 CarbonylContact O-C 3.51Å; K249-G252 PolarHBondContact O-N 2.82Å; A250-G252 VanDerWaalsContact C-N 3.35Å; A250-G252 PolarHBondContact O-N 2.94Å; G252-G254 VanDerWaalsContact C-N 3.3Å; G252-S347 WeakPolarHBondContact O-CA 3.04Å; G252-T350 WeakPolarHBondContact CA-OG1 3.34Å; G252-T350 VanDerWaalsContact O-CB 3.31Å; G252-T350 WeakPolarHBondContact O-CB 3.22Å; G252-T350 WeakPolarHBondContact O-CG2 3.31Å; G252-T350 PolarHBondContact O-OG1 3.03Å
253	A	98.8	Very high	98.6	Very high	12 Å²	12	9 Å²	9	10%	0.099	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-5.7	176.3	0	0	0	0	0	114.1	L218 V221 I222 K249 A250 F251 F352	L218-A253 HydrophobicContact CD1-CB 3.58Å; V221-A253 HydrophobicContact CB-CB 4.35Å; V221-A253 HydrophobicContact CG1-CB 3.66Å; I222-A253 HydrophobicContact CG1-CB 3.84Å; K249-A253 VanDerWaalsContact O-CB 3.25Å; K249-A253 WeakPolarHBondContact O-CB 3.28Å; K249-A253 PolarHBondContact O-N 2.81Å; A250-A253 PolarHBondContact O-N 2.97Å; F251-A253 PolarHBondContact O-N 2.88Å; A253-F352 HydrophobicContact CB-CE2 4.05Å; A253-F352 HydrophobicContact CB-CZ 4.3Å
254	G	98.7	Very high	98.6	Very high	10 Å²	10	7.2 Å²	7.2	10%	0.103	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.4	0	176	0	0	0	0	0	115	H229 A250 F251 G252 D256	H229-G254 PolarHBondContact CE1-O 3.41Å; A250-G254 PolarHBondContact O-N 3.15Å; F251-G254 PolarHBondContact O-N 2.99Å; F251-G254 VanDerWaalsContact O-N 3.11Å; G252-G254 VanDerWaalsContact C-N 3.3Å; G254-D256 PolarHBondContact O-N 3.19Å
255	A	98.9	Very high	98.5	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.008	5%	0.051	C	C	.	.			trans	-60.2	135.9	175.2	0	0	0	0	0	111.5	V221 I235 A250 F251 F257 V258	V221-A255 HydrophobicContact CG1-CB 3.9Å; I235-A255 HydrophobicContact CD1-CB 4.34Å; I235-A255 HydrophobicContact CG1-CB 4.44Å; A250-A255 VanDerWaalsContact O-CB 3.25Å; A250-A255 WeakPolarHBondContact O-CB 3.16Å; A250-A255 PolarHBondContact O-N 3.11Å; A250-A255 VanDerWaalsContact O-N 3.1Å; F251-A255 WeakPolarHBondContact CD1-O 3.43Å; A255-F257 WeakPolarHBondContact CB-O 3.17Å; A255-V258 HydrophobicContact CB-CG2 4.5Å
256	D	98.9	Very high	98.5	Very high	7 Å²	7	5 Å²	5	4%	0.037	4%	0.038	C	C	.	.	S	Bend	trans	-80.2	-36.5	174	-63	-70.9	0	0	0	111.1	R53 F55 P68 H229 H234 I235 G254	R53-D256 IonicContact NH2-OD1 3.64Å; F55-D256 HydrophobicContact CE1-CB 4.03Å; F55-D256 WeakPolarHBondContact CE1-OD1 3.42Å; F55-D256 HydrophobicContact CE2-CB 4.23Å; F55-D256 HydrophobicContact CZ-CB 3.65Å; P68-D256 WeakPolarHBondContact CB-O 3.35Å; P68-D256 VanDerWaalsContact CG-O 3.3Å; P68-D256 WeakPolarHBondContact CG-O 3.36Å; H229-D256 IonicContact CD2-OD2 2.81Å; H229-D256 IonicContact CE1-OD2 3.04Å; H229-D256 IonicContact NE2-OD1 2.8Å; H229-D256 PolarHBondContact NE2-OD1 2.8Å; H229-D256 IonicContact NE2-OD2 2.76Å; H229-D256 PolarHBondContact NE2-OD2 3.43Å; H234-D256 WeakPolarHBondContact CA-OD2 3.27Å; H234-D256 HydrophobicContact CB-CB 3.99Å; H234-D256 WeakPolarHBondContact CB-OD2 3.23Å; H234-D256 IonicContact CD2-OD1 3.92Å; H234-D256 IonicContact CD2-OD2 2.6Å; H234-D256 IonicContact CG-OD2 3.82Å; I235-D256 PolarHBondContact N-OD2 2.95Å; I235-D256 WeakPolarHBondContact O-CB 3.47Å; I235-D256 PolarHBondContact O-N 3.35Å; G254-D256 PolarHBondContact O-N 3.19Å
257	F	98.9	Very high	98.5	Very high	1 Å²	1	4.8 Å²	4.8	0%	0.004	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.9	174.6	-58.8	-101.1	0	0	0	111.7	F55 F57 Y64 P68 I70 I194 I235 I236 S237 A255	F55-F257 HydrophobicContact CD2-CE1 4.48Å; F55-F257 AromaticContact CD2-CE2 3.78Å; F55-F257 HydrophobicContact CD2-CE2 3.78Å; F55-F257 AromaticContact CD2-CZ 3.56Å; F55-F257 HydrophobicContact CD2-CZ 3.56Å; F55-F257 HydrophobicContact CE2-CD2 4.39Å; F55-F257 HydrophobicContact CE2-CE1 4.32Å; F55-F257 AromaticContact CE2-CE2 3.7Å; F55-F257 HydrophobicContact CE2-CE2 3.7Å; F55-F257 AromaticContact CE2-CZ 3.66Å; F55-F257 HydrophobicContact CE2-CZ 3.66Å; F57-F257 HydrophobicContact CE1-CE2 4.27Å; F57-F257 HydrophobicContact CE1-CZ 4.34Å; F57-F257 HydrophobicContact CZ-CZ 4.2Å; Y64-F257 HydrophobicContact CD1-CE1 4.2Å; Y64-F257 HydrophobicContact CD1-CZ 4.03Å; Y64-F257 AromaticContact CE1-CE1 3.8Å; Y64-F257 HydrophobicContact CE1-CE1 3.8Å; Y64-F257 HydrophobicContact CE1-CZ 4.07Å; Y64-F257 HydrophobicContact CE2-CE1 4.17Å; Y64-F257 HydrophobicContact CG-CZ 4.29Å; Y64-F257 AromaticContact CZ-CE1 3.78Å; P68-F257 HydrophobicContact CB-CB 4.34Å; P68-F257 HydrophobicContact CB-CD1 3.29Å; P68-F257 HydrophobicContact CB-CE1 3.61Å; P68-F257 HydrophobicContact CB-CG 3.84Å; P68-F257 HydrophobicContact CB-CZ 4.39Å; P68-F257 CarbonylContact O-C 3.57Å; P68-F257 WeakPolarHBondContact O-CA 3.27Å; I70-F257 HydrophobicContact CD1-CB 3.65Å; I70-F257 HydrophobicContact CD1-CD1 3.81Å; I70-F257 HydrophobicContact CD1-CG 3.91Å; I70-F257 HydrophobicContact CG1-CB 4.23Å; I70-F257 HydrophobicContact CG1-CD1 4.04Å; I194-F257 HydrophobicContact CD1-CE2 3.99Å; I194-F257 HydrophobicContact CD1-CZ 4.35Å; I194-F257 HydrophobicContact CG2-CD2 4.14Å; I194-F257 HydrophobicContact CG2-CE2 4.39Å; I235-F257 PolarHBondContact O-N 2.8Å; I236-F257 CarbonylContact C-O 3.59Å; I236-F257 WeakPolarHBondContact CA-O 3.41Å; I236-F257 HydrophobicContact CB-CB 4.32Å; I236-F257 HydrophobicContact CG1-CB 4.02Å; I236-F257 HydrophobicContact CG2-CB 4.18Å; S237-F257 PolarHBondContact N-O 2.85Å; A255-F257 WeakPolarHBondContact CB-O 3.17Å
258	V	98.9	Very high	98.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.8	171.2	179.5	0	0	0	0	109.3	P68 I69 I70 V247 A250 F251 A255 M260	P68-V258 PolarHBondContact O-N 3.11Å; I69-V258 WeakPolarHBondContact CA-O 3.5Å; I70-V258 PolarHBondContact N-O 2.95Å; V247-V258 HydrophobicContact CB-CG1 4.48Å; V247-V258 HydrophobicContact CG1-CB 4.22Å; V247-V258 HydrophobicContact CG1-CG1 4.11Å; V247-V258 HydrophobicContact CG1-CG2 4.32Å; V247-V258 HydrophobicContact CG2-CG1 4.32Å; A250-V258 HydrophobicContact CB-CG1 4.45Å; A250-V258 HydrophobicContact CB-CG2 3.61Å; F251-V258 HydrophobicContact CD1-CG2 4.01Å; F251-V258 HydrophobicContact CD2-CG2 3.92Å; F251-V258 HydrophobicContact CE1-CG2 3.76Å; F251-V258 HydrophobicContact CE2-CB 4.23Å; F251-V258 HydrophobicContact CE2-CG2 3.69Å; F251-V258 HydrophobicContact CG-CG2 4.07Å; F251-V258 HydrophobicContact CZ-CB 4.03Å; F251-V258 HydrophobicContact CZ-CG2 3.59Å; A255-V258 HydrophobicContact CB-CG2 4.5Å; V258-M260 HydrophobicContact CG1-CG 4.44Å
259	M	98.9	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.6	178.2	177	175.1	-73.7	0	0	111.3	I70 A72 A94 K196 I236 S237 D238	I70-M259 HydrophobicContact CB-CB 4.23Å; I70-M259 HydrophobicContact CB-CE 4.24Å; I70-M259 HydrophobicContact CB-CG 4.49Å; I70-M259 HydrophobicContact CG2-CE 3.56Å; I70-M259 CarbonylContact O-C 3.49Å; I70-M259 VanDerWaalsContact O-CA 3.27Å; I70-M259 WeakPolarHBondContact O-CA 3.26Å; A72-M259 HydrophobicContact CB-CG 3.65Å; A72-M259 HydrophobicContact CB-SD 3.88Å; A94-M259 HydrophobicContact CB-CE 3.99Å; K196-M259 HydrophobicContact CD-CE 3.8Å; K196-M259 HydrophobicContact CD-SD 3.88Å; I236-M259 HydrophobicContact CG2-CB 3.55Å; S237-M259 PolarHBondContact O-N 2.97Å; D238-M259 HydrophobicContact CB-CB 4.19Å; D238-M259 HydrophobicContact CB-SD 4.37Å; D238-M259 WeakPolarHBondContact OD1-CG 3.22Å; D238-M259 VanDerWaalsContact OD1-SD 3.37Å
260	M	98.5	Very high	98.3	Very high	6 Å²	6	9.4 Å²	9.4	3%	0.03	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121	-175.3	-60	-171.1	-51.5	0	0	111.5	I69 I70 A72 V247 V258 M263 L264 V327	I69-M260 HydrophobicContact CG2-CE 3.4Å; I69-M260 VanDerWaalsContact CG2-CE 3.4Å; I69-M260 HydrophobicContact CG2-SD 4.21Å; I70-M260 PolarHBondContact O-N 3.28Å; A72-M260 PolarHBondContact N-O 2.7Å; V247-M260 HydrophobicContact CG2-CG 4.5Å; V247-M260 HydrophobicContact CG2-SD 3.68Å; V258-M260 HydrophobicContact CG1-CG 4.44Å; M260-M263 HydrophobicContact CB-CB 4.38Å; M260-M263 HydrophobicContact SD-CB 4.17Å; M260-M263 HydrophobicContact SD-CE 4.25Å; M260-M263 HydrophobicContact SD-SD 3.78Å; M260-L264 HydrophobicContact CB-CD1 4.15Å; M260-L264 HydrophobicContact CB-CG 4.09Å; M260-L264 HydrophobicContact CE-CD1 4.08Å; M260-L264 HydrophobicContact CE-CD2 3.82Å; M260-L264 HydrophobicContact CE-CG 3.93Å; M260-V327 HydrophobicContact SD-CG1 4.45Å; M260-V327 HydrophobicContact SD-CG2 4.48Å
261	G	97.2	Very high	98	Very high	10 Å²	10	11.4 Å²	11.4	10%	0.103	8%	0.075	C	C	.	.	S	Bend	trans	-98.3	-78.7	166	0	0	0	0	0	110.9	M263 L264 A265	G261-M263 VanDerWaalsContact C-N 3.28Å; G261-M263 PolarHBondContact O-N 3.29Å; G261-M263 VanDerWaalsContact O-N 3.12Å; G261-L264 CarbonylContact O-C 3.59Å; G261-L264 WeakPolarHBondContact O-CA 3.46Å; G261-L264 PolarHBondContact O-N 2.91Å; G261-A265 PolarHBondContact O-N 3.15Å
262	G	96.8	Very high	97.4	Very high	18 Å²	18	13.4 Å²	13.4	19%	0.186	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.6	-171.6	0	0	0	0	0	116.5	L264 R317	G262-L264 VanDerWaalsContact C-N 3.3Å; G262-R317 PolarHBondContact O-NH1 3.09Å; G262-R317 VanDerWaalsContact O-NH1 3.07Å
263	M	98.1	Very high	97	Very high	14 Å²	14	21.2 Å²	21.2	7%	0.069	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-31.4	172.9	-68.5	-176.3	69.2	0	0	112	C241 C243 V247 M260 G261 H267 R317 V327	C241-M263 HydrophobicContact CB-SD 3.94Å; C241-M263 WeakPolarHBondContact O-CG 3.47Å; C243-M263 VanDerWaalsContact C-CE 3.47Å; V247-M263 HydrophobicContact CG2-CE 4.32Å; V247-M263 HydrophobicContact CG2-SD 3.94Å; M260-M263 HydrophobicContact CB-CB 4.38Å; M260-M263 HydrophobicContact SD-CB 4.17Å; M260-M263 HydrophobicContact SD-CE 4.25Å; M260-M263 HydrophobicContact SD-SD 3.78Å; G261-M263 VanDerWaalsContact C-N 3.28Å; G261-M263 PolarHBondContact O-N 3.29Å; G261-M263 VanDerWaalsContact O-N 3.12Å; M263-H267 PolarHBondContact O-CE1 2.96Å; M263-R317 PolarHBondContact O-NH1 2.87Å; M263-R317 VanDerWaalsContact O-NH1 3.07Å; M263-V327 HydrophobicContact CE-CG2 3.57Å
264	L	98.4	Very high	96.8	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-9.5	179.1	-60.4	-178.9	0	0	0	113.3	A71 M82 L86 M260 G261 G262 H267 C270 V320 T323	A71-L264 HydrophobicContact CB-CD1 3.57Å; M82-L264 HydrophobicContact CE-CB 4.08Å; M82-L264 HydrophobicContact SD-CD1 4.41Å; L86-L264 HydrophobicContact CD2-CD1 4.45Å; M260-L264 HydrophobicContact CB-CD1 4.15Å; M260-L264 HydrophobicContact CB-CG 4.09Å; M260-L264 HydrophobicContact CE-CD1 4.08Å; M260-L264 HydrophobicContact CE-CD2 3.82Å; M260-L264 HydrophobicContact CE-CG 3.93Å; G261-L264 CarbonylContact O-C 3.59Å; G261-L264 WeakPolarHBondContact O-CA 3.46Å; G261-L264 PolarHBondContact O-N 2.91Å; G262-L264 VanDerWaalsContact C-N 3.3Å; L264-H267 PolarHBondContact O-ND1 3.41Å; L264-C270 PolarHBondContact O-SG 2.84Å; L264-V320 HydrophobicContact CD2-CG2 3.77Å; L264-T323 HydrophobicContact CD2-CG2 4.31Å
265	A	97.6	Very high	96.7	Very high	1 Å²	1	26 Å²	26	1%	0.008	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	153.9	173.1	0	0	0	0	0	112.3	T77 G261 H267 F285 V314 R317	T77-A265 HydrophobicContact CG2-CB 4.33Å; G261-A265 PolarHBondContact O-N 3.15Å; A265-H267 PolarHBondContact O-ND1 3.34Å; A265-F285 HydrophobicContact CB-CB 4.07Å; A265-F285 HydrophobicContact CB-CD1 3.93Å; A265-F285 HydrophobicContact CB-CD2 3.56Å; A265-F285 HydrophobicContact CB-CE1 4.26Å; A265-F285 HydrophobicContact CB-CE2 3.93Å; A265-F285 HydrophobicContact CB-CG 3.58Å; A265-F285 HydrophobicContact CB-CZ 4.27Å; A265-V314 HydrophobicContact CB-CG2 4.38Å; A265-R317 PolarHBondContact O-NH1 2.82Å
266	G	97.2	Very high	96.5	Very high	3 Å²	3	32.3 Å²	32.3	3%	0.031	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	5.8	175.1	0	0	0	0	0	115.6	Y316 R317	G266-Y316 WeakPolarHBondContact O-CA 3.1Å; G266-Y316 WeakPolarHBondContact O-CD2 3.29Å; G266-R317 PolarHBondContact O-N 2.98Å
267	H	98.6	Very high	96.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-99.4	169.8	-177.1	-62.1	92.6	0	0	0	113.2	M263 L264 A265 Q269 C270 K283 R317 G318 V320 T323	M263-H267 PolarHBondContact O-CE1 2.96Å; L264-H267 PolarHBondContact O-ND1 3.41Å; A265-H267 PolarHBondContact O-ND1 3.34Å; H267-Q269 PolarHBondContact O-N 3.27Å; H267-C270 WeakPolarHBondContact O-CB 3.25Å; H267-C270 PolarHBondContact O-N 3.1Å; H267-C270 VanDerWaalsContact O-N 3.14Å; H267-K283 WeakPolarHBondContact O-CD 3.39Å; H267-K283 WeakPolarHBondContact O-CE 3.45Å; H267-K283 PolarHBondContact O-NZ 2.92Å; H267-R317 VanDerWaalsContact CD2-CB 3.47Å; H267-R317 WeakPolarHBondContact CD2-CB 3.43Å; H267-R317 VanDerWaalsContact NE2-CB 3.34Å; H267-R317 WeakPolarHBondContact NE2-CB 3.37Å; H267-G318 CarbonylContact C-O 3.52Å; H267-G318 WeakPolarHBondContact CA-O 3.42Å; H267-G318 VanDerWaalsContact CB-O 3.25Å; H267-G318 WeakPolarHBondContact CB-O 3.32Å; H267-G318 PolarHBondContact CD2-O 3.19Å; H267-G318 VanDerWaalsContact CD2-O 3.32Å; H267-V320 HydrophobicContact CB-CB 3.87Å; H267-V320 HydrophobicContact CB-CG2 4.37Å; H267-V320 WeakPolarHBondContact CD2-CA 3.16Å; H267-T323 PolarHBondContact CE1-OG1 2.94Å; H267-T323 PolarHBondContact NE2-OG1 3.43Å
268	D	98.1	Very high	96	Very high	72 Å²	72	44.3 Å²	44.3	39%	0.385	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.4	174.1	-69.5	-35.4	0	0	0	112.3	C270 Y316 G318 D319	D268-C270 PolarHBondContact O-N 3.43Å; D268-Y316 VanDerWaalsContact CG-OH 3.32Å; D268-Y316 WeakPolarHBondContact OD1-CE2 3.37Å; D268-Y316 VanDerWaalsContact OD1-CZ 3.23Å; D268-Y316 PolarHBondContact OD1-OH 3.47Å; D268-Y316 PolarHBondContact OD2-OH 2.99Å; D268-G318 PolarHBondContact N-O 3.31Å; D268-D319 PolarHBondContact OD2-N 2.94Å; D268-D319 VanDerWaalsContact OD2-N 3.14Å
269	Q	98.3	Very high	95.8	Very high	20 Å²	20	47.5 Å²	47.5	9%	0.093	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-7.9	-178	-65.5	74.4	26.8	0	0	114	T79 E81 M82 V85 H267 D319 V320	T79-Q269 PolarHBondContact OG1-O 3.04Å; E81-Q269 HydrophobicContact CB-CB 4.06Å; E81-Q269 HydrophobicContact CB-CG 4.25Å; E81-Q269 WeakPolarHBondContact O-CG 3.48Å; M82-Q269 HydrophobicContact CB-CB 4.36Å; M82-Q269 HydrophobicContact CE-CB 4.03Å; M82-Q269 HydrophobicContact SD-CB 4.38Å; V85-Q269 HydrophobicContact CG2-CG 3.71Å; H267-Q269 PolarHBondContact O-N 3.27Å; Q269-D319 PolarHBondContact NE2-OD1 3.07Å; Q269-D319 PolarHBondContact NE2-OD2 3.02Å; Q269-V320 HydrophobicContact CB-CG1 4.35Å; Q269-V320 HydrophobicContact CG-CG1 3.98Å; Q269-V320 VanDerWaalsContact OE1-CB 3.28Å
270	C	97.5	Very high	95.7	Very high	11 Å²	11	54 Å²	54	7%	0.074	30%	0.303	C	S	.	.	S	Bend	trans	-77.8	149.5	173.7	-65.7	0	0	0	0	111.4	T76 L264 H267 D268 K283	T76-C270 VanDerWaalsContact O-CA 3.25Å; T76-C270 WeakPolarHBondContact O-CA 3.48Å; T76-C270 WeakPolarHBondContact O-CB 3.3Å; T76-C270 PolarHBondContact O-SG 3.28Å; L264-C270 PolarHBondContact O-SG 2.84Å; H267-C270 WeakPolarHBondContact O-CB 3.25Å; H267-C270 PolarHBondContact O-N 3.1Å; H267-C270 VanDerWaalsContact O-N 3.14Å; D268-C270 PolarHBondContact O-N 3.43Å; C270-K283 PolarHBondContact O-NZ 3.34Å
271	T	92.7	Very high	95.6	Very high	41 Å²	41	58.7 Å²	58.7	25%	0.252	32%	0.323	S	S	.	.	S	Bend	trans	-68.8	167.7	165.4	64.3	0	0	0	0	111.4	D75 T76 T79	D75-T271 VanDerWaalsContact O-CG2 3.27Å; D75-T271 WeakPolarHBondContact O-CG2 3.39Å; D75-T271 PolarHBondContact O-OG1 3.25Å; T76-T271 WeakPolarHBondContact CA-OG1 3.22Å; T79-T271 HydrophobicContact CG2-CG2 3.65Å
272	G	86.3	Confident	95.6	Very high	47 Å²	47	60.6 Å²	60.6	49%	0.485	33%	0.327	S	S	.	.	S	Bend	trans	92	149.7	-179.1	0	0	0	0	0	113.2	K283	G272-K283 WeakPolarHBondContact O-CE 3.45Å; G272-K283 PolarHBondContact O-NZ 3.25Å
273	E	89.7	Confident	95.6	Very high	170 Å²	170	60.1 Å²	60.1	79%	0.794	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-76.2	157.2	-178.9	-62.7	-175.2	170.1	0	0	112.1	I275	E273-I275 PolarHBondContact O-N 2.84Å
274	I	95.3	Very high	95.5	Very high	77 Å²	77	62.6 Å²	62.6	40%	0.395	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.3	171	-60	175.2	0	0	0	107.9	K281 Y282 K283 Y316	I274-K281 HydrophobicContact CG2-CB 3.81Å; I274-K281 HydrophobicContact CG2-CD 4.05Å; I274-K281 HydrophobicContact CG2-CG 3.96Å; I274-Y282 CarbonylContact C-O 3.58Å; I274-Y282 WeakPolarHBondContact CA-O 3.29Å; I274-K283 HydrophobicContact CG1-CD 4.43Å; I274-K283 HydrophobicContact CG1-CG 4.33Å; I274-Y316 HydrophobicContact CD1-CD2 4.12Å; I274-Y316 HydrophobicContact CD1-CE2 3.74Å; I274-Y316 HydrophobicContact CG1-CD2 4.26Å; I274-Y316 HydrophobicContact CG1-CE2 4.29Å
275	I	95	Very high	95.4	Very high	46 Å²	46	62.7 Å²	62.7	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.3	177	-60.8	165.5	0	0	0	108.5	E273 K277 K281 Y282 L284	E273-I275 PolarHBondContact O-N 2.84Å; I275-K277 HydrophobicContact CG2-CD 4.3Å; I275-K277 HydrophobicContact CG2-CG 4.04Å; I275-K281 CarbonylContact O-C 3.54Å; I275-K281 WeakPolarHBondContact O-CA 3.25Å; I275-Y282 PolarHBondContact N-O 2.62Å; I275-Y282 PolarHBondContact O-N 3.4Å; I275-L284 HydrophobicContact CD1-CD1 4.02Å; I275-L284 HydrophobicContact CD1-CD2 4.06Å; I275-L284 HydrophobicContact CD1-CG 3.64Å
276	E	95.6	Very high	95.2	Very high	133 Å²	133	63.2 Å²	63.2	62%	0.621	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.6	175	-167.3	166.6	166.2	0	0	110.9	K280	E276-K280 WeakPolarHBondContact CA-O 3.48Å
277	K	94.2	Very high	95	Very high	90 Å²	90	63.4 Å²	63.4	39%	0.391	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.6	177.4	-71.7	-178.4	-176.6	176.9	0	110	I275 G279 K280 Y282 E313	I275-K277 HydrophobicContact CG2-CD 4.3Å; I275-K277 HydrophobicContact CG2-CG 4.04Å; K277-G279 PolarHBondContact O-N 2.8Å; K277-K280 PolarHBondContact N-O 2.78Å; K277-K280 PolarHBondContact O-N 3.36Å; K277-Y282 HydrophobicContact CB-CD2 4.43Å; K277-Y282 HydrophobicContact CB-CE2 4.25Å; K277-E313 IonicContact NZ-OE1 2.64Å; K277-E313 PolarHBondContact NZ-OE1 3.03Å; K277-E313 IonicContact NZ-OE2 3.82Å; K277-E313 PolarHBondContact NZ-OE2 2.98Å
278	N	93.6	Very high	94.7	Very high	170 Å²	170	66.2 Å²	66.2	91%	0.909	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	41.3	177.4	-56.2	-30.7	0	0	0	113	K280	N278-K280 PolarHBondContact O-N 2.79Å
279	G	94.2	Very high	94.1	Very high	67 Å²	67	65.3 Å²	65.3	69%	0.691	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	8.4	-178.1	0	0	0	0	0	115.2	K277	K277-G279 PolarHBondContact O-N 2.8Å
280	K	96.3	Very high	93.5	Very high	136 Å²	136	64.4 Å²	64.4	59%	0.591	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.8	174.7	-66.3	-176.8	-177.7	-178.3	0	110.3	E276 K277 N278 Y282	E276-K280 WeakPolarHBondContact CA-O 3.48Å; K277-K280 PolarHBondContact N-O 2.78Å; K277-K280 PolarHBondContact O-N 3.36Å; N278-K280 PolarHBondContact O-N 2.79Å; K280-Y282 HydrophobicContact CB-CD2 4.42Å; K280-Y282 HydrophobicContact CB-CE2 3.51Å; K280-Y282 WeakPolarHBondContact CD-OH 3.33Å; K280-Y282 WeakPolarHBondContact O-CD2 3.37Å
281	K	97.4	Very high	92.9	Very high	104 Å²	104	67.4 Å²	67.4	45%	0.452	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.4	178.1	-67.9	179.5	179.4	-175.1	0	110.4	I274 I275 Y316	I274-K281 HydrophobicContact CG2-CB 3.81Å; I274-K281 HydrophobicContact CG2-CD 4.05Å; I274-K281 HydrophobicContact CG2-CG 3.96Å; I275-K281 CarbonylContact O-C 3.54Å; I275-K281 WeakPolarHBondContact O-CA 3.25Å; K281-Y316 HydrophobicContact CB-CD1 4.13Å; K281-Y316 HydrophobicContact CB-CG 4.17Å; K281-Y316 HydrophobicContact CD-CD1 4.26Å; K281-Y316 WeakPolarHBondContact O-CB 3.41Å; K281-Y316 PolarHBondContact O-N 2.91Å
282	Y	97.3	Very high	92.6	Very high	51 Å²	51	68 Å²	68	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.5	-179.4	-61.5	-91.9	0	0	0	110.6	I274 I275 K277 K280 E313 V314 P315	I274-Y282 CarbonylContact C-O 3.58Å; I274-Y282 WeakPolarHBondContact CA-O 3.29Å; I275-Y282 PolarHBondContact N-O 2.62Å; I275-Y282 PolarHBondContact O-N 3.4Å; K277-Y282 HydrophobicContact CB-CD2 4.43Å; K277-Y282 HydrophobicContact CB-CE2 4.25Å; K280-Y282 HydrophobicContact CB-CD2 4.42Å; K280-Y282 HydrophobicContact CB-CE2 3.51Å; K280-Y282 WeakPolarHBondContact CD-OH 3.33Å; K280-Y282 WeakPolarHBondContact O-CD2 3.37Å; Y282-E313 HydrophobicContact CD1-CB 4.05Å; Y282-E313 HydrophobicContact CG-CB 4.27Å; Y282-V314 CarbonylContact C-O 3.43Å; Y282-V314 VanDerWaalsContact CA-O 3.22Å; Y282-V314 WeakPolarHBondContact CA-O 3.32Å; Y282-P315 HydrophobicContact CD1-CG 4.48Å; Y282-P315 HydrophobicContact CE1-CG 4.24Å
283	K	96.7	Very high	92.7	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.035	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149	162.7	-61.6	-172.3	69.1	159.9	0	109.8	H267 C270 G272 I274 V314 Y316	H267-K283 WeakPolarHBondContact O-CD 3.39Å; H267-K283 WeakPolarHBondContact O-CE 3.45Å; H267-K283 PolarHBondContact O-NZ 2.92Å; C270-K283 PolarHBondContact O-NZ 3.34Å; G272-K283 WeakPolarHBondContact O-CE 3.45Å; G272-K283 PolarHBondContact O-NZ 3.25Å; I274-K283 HydrophobicContact CG1-CD 4.43Å; I274-K283 HydrophobicContact CG1-CG 4.33Å; K283-V314 PolarHBondContact N-O 3.23Å; K283-V314 PolarHBondContact O-N 3.35Å; K283-Y316 HydrophobicContact CD-CD2 4.06Å; K283-Y316 HydrophobicContact CG-CD2 4.23Å
284	L	95.2	Very high	92.6	Very high	66 Å²	66	58.6 Å²	58.6	35%	0.346	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	136.7	175	-71.6	171.1	0	0	0	110.8	I275 T311 E313	I275-L284 HydrophobicContact CD1-CD1 4.02Å; I275-L284 HydrophobicContact CD1-CD2 4.06Å; I275-L284 HydrophobicContact CD1-CG 3.64Å; L284-T311 HydrophobicContact CD2-CG2 3.98Å; L284-E313 HydrophobicContact CD2-CG 3.92Å
285	F	95.9	Very high	92.2	Very high	3 Å²	3	61.6 Å²	61.6	1%	0.013	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.3	171.4	-178.7	-126.1	0	0	0	109.2	M74 T76 T77 S203 V204 A265 V312 V314	M74-F285 HydrophobicContact CE-CD2 4.32Å; M74-F285 HydrophobicContact CE-CE2 3.37Å; M74-F285 HydrophobicContact CE-CZ 3.53Å; M74-F285 HydrophobicContact SD-CE2 3.68Å; M74-F285 HydrophobicContact SD-CZ 3.64Å; T76-F285 VanDerWaalsContact OG1-CD2 3.3Å; T76-F285 WeakPolarHBondContact OG1-CD2 3.44Å; T77-F285 HydrophobicContact CG2-CE2 3.95Å; S203-F285 WeakPolarHBondContact OG-CE1 3.49Å; V204-F285 HydrophobicContact CB-CD1 4.48Å; V204-F285 HydrophobicContact CB-CE1 4.26Å; V204-F285 HydrophobicContact CG1-CD1 3.45Å; V204-F285 VanDerWaalsContact CG1-CD1 3.45Å; V204-F285 HydrophobicContact CG1-CE1 3.59Å; V204-F285 HydrophobicContact CG1-CG 4.37Å; V204-F285 HydrophobicContact CG2-CD1 4.21Å; V204-F285 HydrophobicContact CG2-CE1 3.64Å; V204-F285 HydrophobicContact CG2-CZ 3.91Å; A265-F285 HydrophobicContact CB-CB 4.07Å; A265-F285 HydrophobicContact CB-CD1 3.93Å; A265-F285 HydrophobicContact CB-CD2 3.56Å; A265-F285 HydrophobicContact CB-CE1 4.26Å; A265-F285 HydrophobicContact CB-CE2 3.93Å; A265-F285 HydrophobicContact CB-CG 3.58Å; A265-F285 HydrophobicContact CB-CZ 4.27Å; F285-V312 HydrophobicContact CB-CG2 4.09Å; F285-V312 HydrophobicContact CD1-CG2 4.12Å; F285-V312 PolarHBondContact N-O 3.31Å; F285-V312 WeakPolarHBondContact O-CG2 3.12Å; F285-V312 PolarHBondContact O-N 3.48Å; F285-V314 HydrophobicContact CB-CG2 3.59Å; F285-V314 HydrophobicContact CD1-CG2 4.14Å; F285-V314 HydrophobicContact CG-CG2 4.23Å
286	Y	95.2	Very high	92	Very high	12 Å²	12	64.8 Å²	64.8	5%	0.047	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	150.8	-174.7	51.8	-100.4	0	0	0	112.5	M74 D75 T76 T292 A293 K296 R310 T311	M74-Y286 WeakPolarHBondContact CE-O 3.33Å; D75-Y286 VanDerWaalsContact CG-OH 3.25Å; D75-Y286 WeakPolarHBondContact OD1-CE2 3.35Å; D75-Y286 PolarHBondContact OD1-OH 3.43Å; D75-Y286 PolarHBondContact OD2-OH 3.13Å; T76-Y286 HydrophobicContact CG2-CD1 4.44Å; T76-Y286 HydrophobicContact CG2-CE1 3.95Å; Y286-T292 HydrophobicContact CD1-CG2 3.71Å; Y286-T292 HydrophobicContact CD2-CG2 4.39Å; Y286-T292 HydrophobicContact CE1-CG2 3.82Å; Y286-T292 HydrophobicContact CG-CG2 4Å; Y286-A293 HydrophobicContact CD2-CB 3.97Å; Y286-A293 HydrophobicContact CE2-CB 3.97Å; Y286-K296 PolarHBondContact OH-NZ 2.83Å; Y286-K296 VanDerWaalsContact OH-NZ 3.14Å; Y286-R310 VanDerWaalsContact CA-O 3.29Å; Y286-R310 WeakPolarHBondContact CA-O 3.04Å; Y286-T311 WeakPolarHBondContact CB-OG1 3.36Å
287	G	91.9	Very high	91.7	Very high	7 Å²	7	62.2 Å²	62.2	7%	0.072	32%	0.317	C	S	.	.			trans	-68.8	147.2	174.6	0	0	0	0	0	111.9	S289 S290 R310	G287-S289 PolarHBondContact O-N 2.96Å; G287-S290 WeakPolarHBondContact O-CB 3.27Å; G287-S290 PolarHBondContact O-N 2.88Å; G287-S290 PolarHBondContact O-OG 3.07Å; G287-R310 PolarHBondContact N-O 2.81Å; G287-R310 VanDerWaalsContact N-O 3.14Å
288	M	92.5	Very high	91.1	Very high	60 Å²	60	63.1 Å²	63.1	30%	0.296	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.4	-179.4	-62.6	-51.7	-59.6	0	0	113.7	M74 D75 H98 A293 Y297	M74-M288 HydrophobicContact CB-CG 4.26Å; M74-M288 HydrophobicContact CB-SD 4.05Å; M74-M288 HydrophobicContact CG-CG 4.25Å; D75-M288 HydrophobicContact CB-CE 4.21Å; D75-M288 HydrophobicContact CB-SD 4.36Å; H98-M288 WeakPolarHBondContact NE2-CE 3.29Å; M288-A293 VanDerWaalsContact O-CB 3.27Å; M288-A293 WeakPolarHBondContact O-CB 3.41Å; M288-Y297 HydrophobicContact CE-CD2 4.39Å; M288-Y297 HydrophobicContact CE-CE2 4.02Å
289	S	86	Confident	90.3	Very high	52 Å²	52	58.6 Å²	58.6	36%	0.364	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	20.9	169.7	-55.9	0	0	0	0	113.2	G287 M294 S307 E308 G309	G287-S289 PolarHBondContact O-N 2.96Å; S289-M294 WeakPolarHBondContact O-CE 3.21Å; S289-S307 WeakPolarHBondContact O-CA 3.2Å; S289-S307 PolarHBondContact O-OG 2.91Å; S289-E308 PolarHBondContact O-N 3.31Å; S289-E308 VanDerWaalsContact O-N 3.12Å; S289-G309 PolarHBondContact O-N 2.96Å
290	S	85.9	Confident	89.5	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.007	30%	0.301	C	S	.	.	S	Bend	trans	-79.9	157.1	173.5	65.8	0	0	0	0	111.9	G287 T292 A293 M294 S307	G287-S290 WeakPolarHBondContact O-CB 3.27Å; G287-S290 PolarHBondContact O-N 2.88Å; G287-S290 PolarHBondContact O-OG 3.07Å; S290-T292 PolarHBondContact O-N 2.89Å; S290-A293 PolarHBondContact O-N 3.46Å; S290-A293 PolarHBondContact OG-N 3.38Å; S290-A293 VanDerWaalsContact OG-N 3.1Å; S290-M294 WeakPolarHBondContact O-CG 3.39Å; S290-M294 PolarHBondContact O-N 3.41Å; S290-S307 VanDerWaalsContact CA-OG 3.23Å; S290-S307 WeakPolarHBondContact CA-OG 3.35Å
291	D	83.9	Confident	88.3	Confident	74 Å²	74	52.5 Å²	52.5	40%	0.396	29%	0.288	S	S	.	.	H	α-helix	trans	-52.8	-39	169	-68.7	-2.9	0	0	0	112.1	K295 V301 S307	D291-K295 VanDerWaalsContact O-CB 3.27Å; D291-K295 WeakPolarHBondContact O-CB 3.43Å; D291-K295 WeakPolarHBondContact O-CG 3.47Å; D291-K295 PolarHBondContact O-N 2.65Å; D291-V301 HydrophobicContact CB-CG2 4.34Å; D291-V301 WeakPolarHBondContact OD1-CG2 3.49Å; D291-S307 PolarHBondContact N-OG 3.37Å; D291-S307 WeakPolarHBondContact OD1-CB 3.44Å
292	T	86.9	Confident	87.2	Confident	54 Å²	54	49.4 Å²	49.4	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-50	178	-59.5	0	0	0	0	111.2	Y286 S290 K296 T311	Y286-T292 HydrophobicContact CD1-CG2 3.71Å; Y286-T292 HydrophobicContact CD2-CG2 4.39Å; Y286-T292 HydrophobicContact CE1-CG2 3.82Å; Y286-T292 HydrophobicContact CG-CG2 4Å; S290-T292 PolarHBondContact O-N 2.89Å; T292-K296 WeakPolarHBondContact O-CB 3.32Å; T292-K296 PolarHBondContact O-N 3.33Å; T292-K296 VanDerWaalsContact O-N 3.11Å; T292-T311 WeakPolarHBondContact CB-OG1 3.45Å; T292-T311 PolarHBondContact OG1-OG1 3.15Å
293	A	87.7	Confident	86	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-66.4	-43.6	179	0	0	0	0	0	112	Y286 M288 S290 K296 Y297	Y286-A293 HydrophobicContact CD2-CB 3.97Å; Y286-A293 HydrophobicContact CE2-CB 3.97Å; M288-A293 VanDerWaalsContact O-CB 3.27Å; M288-A293 WeakPolarHBondContact O-CB 3.41Å; S290-A293 PolarHBondContact O-N 3.46Å; S290-A293 PolarHBondContact OG-N 3.38Å; S290-A293 VanDerWaalsContact OG-N 3.1Å; A293-K296 PolarHBondContact O-N 3.49Å; A293-Y297 VanDerWaalsContact O-CD2 3.26Å; A293-Y297 WeakPolarHBondContact O-CD2 3.14Å; A293-Y297 PolarHBondContact O-N 2.74Å
294	M	87.9	Confident	84.9	Confident	18 Å²	18	64.9 Å²	64.9	9%	0.089	35%	0.35	C	S	.	.	H	α-helix	trans	-65.9	-40.1	-179.9	-72.2	-171.8	-78.9	0	0	112.4	S289 S290 K296 V298 G299 G300 V301	S289-M294 WeakPolarHBondContact O-CE 3.21Å; S290-M294 WeakPolarHBondContact O-CG 3.39Å; S290-M294 PolarHBondContact O-N 3.41Å; M294-K296 VanDerWaalsContact C-N 3.32Å; M294-K296 PolarHBondContact O-N 3.01Å; M294-V298 CarbonylContact O-C 3.57Å; M294-V298 WeakPolarHBondContact O-CA 3.45Å; M294-V298 WeakPolarHBondContact O-CB 3.49Å; M294-V298 PolarHBondContact O-N 2.92Å; M294-G299 PolarHBondContact O-N 2.92Å; M294-G299 VanDerWaalsContact O-N 3.13Å; M294-G300 PolarHBondContact O-N 3.09Å; M294-V301 HydrophobicContact CB-CG2 4.34Å; M294-V301 HydrophobicContact CE-CB 4.23Å; M294-V301 HydrophobicContact CE-CG1 3.8Å; M294-V301 HydrophobicContact CE-CG2 3.61Å; M294-V301 HydrophobicContact SD-CB 4.48Å; M294-V301 HydrophobicContact SD-CG1 4.12Å; M294-V301 HydrophobicContact SD-CG2 4.27Å
295	K	87.9	Confident	84	Confident	141 Å²	141	68.3 Å²	68.3	61%	0.613	36%	0.358	S	S	*	.	H	α-helix	trans	-60.8	-42.2	171.9	-75.8	173.8	-177.4	178.6	0	111.8	D291	D291-K295 VanDerWaalsContact O-CB 3.27Å; D291-K295 WeakPolarHBondContact O-CB 3.43Å; D291-K295 WeakPolarHBondContact O-CG 3.47Å; D291-K295 PolarHBondContact O-N 2.65Å
296	K	90.3	Very high	83.1	Confident	113 Å²	113	71.4 Å²	71.4	49%	0.491	38%	0.384	S	S	.	.	H	α-helix	trans	-67.2	-38	-178.3	-172.4	176	177.8	-171.5	0	113.4	D75 Y286 T292 A293 M294	D75-K296 IonicContact OD2-NZ 3.77Å; D75-K296 PolarHBondContact OD2-NZ 3.31Å; Y286-K296 PolarHBondContact OH-NZ 2.83Å; Y286-K296 VanDerWaalsContact OH-NZ 3.14Å; T292-K296 WeakPolarHBondContact O-CB 3.32Å; T292-K296 PolarHBondContact O-N 3.33Å; T292-K296 VanDerWaalsContact O-N 3.11Å; A293-K296 PolarHBondContact O-N 3.49Å; M294-K296 VanDerWaalsContact C-N 3.32Å; M294-K296 PolarHBondContact O-N 3.01Å
297	Y	89.2	Confident	82.7	Confident	78 Å²	78	71.8 Å²	71.8	31%	0.306	39%	0.388	S	S	.	.	H	α-helix	trans	-116.4	-20.7	-168.6	-61.5	-59.2	0	0	0	115.8	D75 H98 M288 A293	D75-Y297 HydrophobicContact CB-CE2 4.35Å; D75-Y297 VanDerWaalsContact CB-OH 3.3Å; D75-Y297 WeakPolarHBondContact CB-OH 3.27Å; D75-Y297 VanDerWaalsContact OD2-CE2 3.27Å; D75-Y297 WeakPolarHBondContact OD2-CE2 3.26Å; D75-Y297 VanDerWaalsContact OD2-CZ 3.3Å; D75-Y297 PolarHBondContact OD2-OH 3.32Å; H98-Y297 HydrophobicContact CB-CE1 3.89Å; H98-Y297 AromaticContact CD2-CE1 3.96Å; H98-Y297 AromaticContact CD2-CE2 3.82Å; H98-Y297 AromaticContact CD2-CZ 3.58Å; H98-Y297 AromaticContact CE1-CD1 3.61Å; H98-Y297 AromaticContact CE1-CD2 3.52Å; H98-Y297 AromaticContact CE1-CE1 3.84Å; H98-Y297 AromaticContact CE1-CE2 3.76Å; H98-Y297 AromaticContact CE1-CG 3.43Å; H98-Y297 VanDerWaalsContact CE1-CG 3.43Å; H98-Y297 AromaticContact CE1-CZ 3.9Å; H98-Y297 AromaticContact CG-CD1 3.94Å; H98-Y297 AromaticContact CG-CE1 3.49Å; H98-Y297 VanDerWaalsContact CG-CE1 3.49Å; H98-Y297 AromaticContact CG-CZ 3.61Å; H98-Y297 AromaticContact ND1-CD1 3.35Å; H98-Y297 WeakPolarHBondContact ND1-CD1 3.48Å; H98-Y297 AromaticContact ND1-CE1 3.42Å; H98-Y297 WeakPolarHBondContact ND1-CE1 3.46Å; H98-Y297 AromaticContact ND1-CG 3.7Å; H98-Y297 AromaticContact ND1-CZ 3.82Å; H98-Y297 AromaticContact NE2-CD2 3.71Å; H98-Y297 AromaticContact NE2-CE2 3.56Å; H98-Y297 AromaticContact NE2-CZ 3.8Å; M288-Y297 HydrophobicContact CE-CD2 4.39Å; M288-Y297 HydrophobicContact CE-CE2 4.02Å; A293-Y297 VanDerWaalsContact O-CD2 3.26Å; A293-Y297 WeakPolarHBondContact O-CD2 3.14Å; A293-Y297 PolarHBondContact O-N 2.74Å
298	V	82.1	Confident	82.5	Confident	110 Å²	110	74.1 Å²	74.1	67%	0.667	40%	0.398	S	S	*	.	H	α-helix	trans	-121.3	-6.1	-174.4	-165.3	0	0	0	0	111.5	M294 G300	M294-V298 CarbonylContact O-C 3.57Å; M294-V298 WeakPolarHBondContact O-CA 3.45Å; M294-V298 WeakPolarHBondContact O-CB 3.49Å; M294-V298 PolarHBondContact O-N 2.92Å; V298-G300 VanDerWaalsContact C-N 3.35Å
299	G	76.7	Confident	82.4	Confident	74 Å²	74	71.7 Å²	71.7	76%	0.763	39%	0.388	S	S	*	.	S	Bend	trans	85.2	2.8	-180	0	0	0	0	0	114.6	M294	M294-G299 PolarHBondContact O-N 2.92Å; M294-G299 VanDerWaalsContact O-N 3.13Å
300	G	76	Confident	82.6	Confident	22 Å²	22	74.2 Å²	74.2	23%	0.227	39%	0.389	C	S	.	.	S	Bend	trans	149.1	-177.8	179.2	0	0	0	0	0	113	M294 V298	M294-G300 PolarHBondContact O-N 3.09Å; V298-G300 VanDerWaalsContact C-N 3.35Å
301	V	71.4	Confident	83	Confident	54 Å²	54	76.9 Å²	76.9	33%	0.327	41%	0.406	S	S	.	.			trans	-92.3	121	173.7	-169.9	0	0	0	0	108	D291 M294 R305	D291-V301 HydrophobicContact CB-CG2 4.34Å; D291-V301 WeakPolarHBondContact OD1-CG2 3.49Å; M294-V301 HydrophobicContact CB-CG2 4.34Å; M294-V301 HydrophobicContact CE-CB 4.23Å; M294-V301 HydrophobicContact CE-CG1 3.8Å; M294-V301 HydrophobicContact CE-CG2 3.61Å; M294-V301 HydrophobicContact SD-CB 4.48Å; M294-V301 HydrophobicContact SD-CG1 4.12Å; M294-V301 HydrophobicContact SD-CG2 4.27Å; V301-R305 HydrophobicContact CG1-CB 4.32Å; V301-R305 VanDerWaalsContact CG1-O 3.27Å; V301-R305 WeakPolarHBondContact CG1-O 3.27Å
302	A	74.6	Confident	83.5	Confident	38 Å²	38	75.5 Å²	75.5	31%	0.314	40%	0.4	S	S	.	.			trans	-62.9	143.2	175	0	0	0	0	0	110.4	Y304 R305	A302-Y304 HydrophobicContact CB-CD1 3.89Å; A302-Y304 HydrophobicContact CB-CE1 3.53Å; A302-Y304 PolarHBondContact O-N 3.16Å; A302-R305 HydrophobicContact CB-CG 4.3Å; A302-R305 PolarHBondContact O-N 3.37Å
303	E	72.8	Confident	83.8	Confident	205 Å²	205	76.6 Å²	76.6	96%	0.958	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-31.4	-173.9	-66.2	-175.1	164.6	0	0	113.9	R305	E303-R305 VanDerWaalsContact C-N 3.34Å
304	Y	72.8	Confident	84.2	Confident	180 Å²	180	77.3 Å²	77.3	71%	0.706	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.3	179.8	68.8	-91.9	0	0	0	114.1	A302	A302-Y304 HydrophobicContact CB-CD1 3.89Å; A302-Y304 HydrophobicContact CB-CE1 3.53Å; A302-Y304 PolarHBondContact O-N 3.16Å
305	R	77	Confident	84.6	Confident	137 Å²	137	79.9 Å²	79.9	52%	0.517	42%	0.424	S	S	.	.			trans	-111.6	134.3	-178.2	-67.7	-171.6	-179.8	-171.9	-2.1	111.2	V301 A302 E303	V301-R305 HydrophobicContact CG1-CB 4.32Å; V301-R305 VanDerWaalsContact CG1-O 3.27Å; V301-R305 WeakPolarHBondContact CG1-O 3.27Å; A302-R305 HydrophobicContact CB-CG 4.3Å; A302-R305 PolarHBondContact O-N 3.37Å; E303-R305 VanDerWaalsContact C-N 3.34Å
306	A	76.4	Confident	85.1	Confident	69 Å²	69	76.6 Å²	76.6	57%	0.57	41%	0.408	S	S	*	.			trans	-93.3	148.7	164.6	0	0	0	0	0	110.2	E308	A306-E308 PolarHBondContact O-N 3.42Å
307	S	87.4	Confident	85.4	Confident	19 Å²	19	76.3 Å²	76.3	13%	0.133	40%	0.404	C	S	.	.			trans	-74.6	123.5	172.7	-178.7	0	0	0	0	111.9	T206 S289 S290 D291 G309	T206-S307 PolarHBondContact OG1-O 3.27Å; S289-S307 WeakPolarHBondContact O-CA 3.2Å; S289-S307 PolarHBondContact O-OG 2.91Å; S290-S307 VanDerWaalsContact CA-OG 3.23Å; S290-S307 WeakPolarHBondContact CA-OG 3.35Å; D291-S307 PolarHBondContact N-OG 3.37Å; D291-S307 WeakPolarHBondContact OD1-CB 3.44Å; S307-G309 PolarHBondContact OG-N 2.85Å; S307-G309 PolarHBondContact OG-O 3.29Å; S307-G309 VanDerWaalsContact OG-O 3.07Å
308	E	87.9	Confident	85.8	Confident	57 Å²	57	73.4 Å²	73.4	27%	0.266	40%	0.397	S	S	.	.			trans	-103.7	16.5	177.1	-67.3	-173.9	-130.1	0	0	112.6	T206 T207 S289 A306	T206-E308 PolarHBondContact N-O 3.08Å; T206-E308 WeakPolarHBondContact OG1-CA 3.34Å; T206-E308 PolarHBondContact OG1-O 3Å; T207-E308 VanDerWaalsContact CB-OE2 3.29Å; T207-E308 WeakPolarHBondContact CB-OE2 3.35Å; T207-E308 WeakPolarHBondContact CG2-OE2 3.22Å; T207-E308 PolarHBondContact OG1-OE2 3.45Å; S289-E308 PolarHBondContact O-N 3.31Å; S289-E308 VanDerWaalsContact O-N 3.12Å; A306-E308 PolarHBondContact O-N 3.42Å
309	G	88.9	Confident	86.6	Confident	9 Å²	9	71.1 Å²	71.1	9%	0.093	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-131.1	160.5	172.1	0	0	0	0	0	112	V204 T206 S289 S307	V204-G309 CarbonylContact O-C 3.45Å; V204-G309 VanDerWaalsContact O-CA 3.27Å; V204-G309 WeakPolarHBondContact O-CA 3.36Å; T206-G309 PolarHBondContact OG1-N 3.44Å; S289-G309 PolarHBondContact O-N 2.96Å; S307-G309 PolarHBondContact OG-N 2.85Å; S307-G309 PolarHBondContact OG-O 3.29Å; S307-G309 VanDerWaalsContact OG-O 3.07Å
310	R	90.6	Very high	87.7	Confident	104 Å²	104	67.6 Å²	67.6	39%	0.392	35%	0.345	S	S	.	.			trans	-122.4	162.7	169.1	61.7	175.5	177.2	-111.4	7.8	110.9	S203 V204 T206 Y286 G287 V312	S203-R310 VanDerWaalsContact O-CZ 3.26Å; S203-R310 PolarHBondContact O-NE 2.98Å; S203-R310 PolarHBondContact O-NH2 3.27Å; V204-R310 HydrophobicContact CB-CG 4.15Å; V204-R310 HydrophobicContact CG1-CG 4.44Å; V204-R310 PolarHBondContact O-N 2.98Å; T206-R310 HydrophobicContact CG2-CB 4.05Å; T206-R310 HydrophobicContact CG2-CG 4.18Å; Y286-R310 VanDerWaalsContact CA-O 3.29Å; Y286-R310 WeakPolarHBondContact CA-O 3.04Å; G287-R310 PolarHBondContact N-O 2.81Å; G287-R310 VanDerWaalsContact N-O 3.14Å; R310-V312 HydrophobicContact CG-CG1 4.21Å
311	T	93.7	Very high	88.7	Confident	57 Å²	57	67.9 Å²	67.9	35%	0.35	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.1	172.2	-58.5	0	0	0	0	108.8	L284 Y286 T292	L284-T311 HydrophobicContact CD2-CG2 3.98Å; Y286-T311 WeakPolarHBondContact CB-OG1 3.36Å; T292-T311 WeakPolarHBondContact CB-OG1 3.45Å; T292-T311 PolarHBondContact OG1-OG1 3.15Å
312	V	94.5	Very high	90	Very high	46 Å²	46	70 Å²	70	28%	0.279	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	155.2	179	-57.2	0	0	0	0	110.2	V204 F285 R310 V314	V204-V312 HydrophobicContact CG1-CG1 4.2Å; V204-V312 HydrophobicContact CG1-CG2 3.63Å; F285-V312 HydrophobicContact CB-CG2 4.09Å; F285-V312 HydrophobicContact CD1-CG2 4.12Å; F285-V312 PolarHBondContact N-O 3.31Å; F285-V312 WeakPolarHBondContact O-CG2 3.12Å; F285-V312 PolarHBondContact O-N 3.48Å; R310-V312 HydrophobicContact CG-CG1 4.21Å; V312-V314 HydrophobicContact CG2-CG2 3.92Å
313	E	94.9	Very high	91.2	Very high	77 Å²	77	69.5 Å²	69.5	36%	0.36	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	109.6	170.2	-71.9	172.6	-168.8	0	0	108.1	K277 Y282 L284	K277-E313 IonicContact NZ-OE1 2.64Å; K277-E313 PolarHBondContact NZ-OE1 3.03Å; K277-E313 IonicContact NZ-OE2 3.82Å; K277-E313 PolarHBondContact NZ-OE2 2.98Å; Y282-E313 HydrophobicContact CD1-CB 4.05Å; Y282-E313 HydrophobicContact CG-CB 4.27Å; L284-E313 HydrophobicContact CD2-CG 3.92Å
314	V	95.1	Very high	92.4	Very high	15 Å²	15	60 Å²	60	9%	0.091	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.8	177.6	-176.1	0	0	0	0	107.7	A265 Y282 K283 F285 V312 Y316	A265-V314 HydrophobicContact CB-CG2 4.38Å; Y282-V314 CarbonylContact C-O 3.43Å; Y282-V314 VanDerWaalsContact CA-O 3.22Å; Y282-V314 WeakPolarHBondContact CA-O 3.32Å; K283-V314 PolarHBondContact N-O 3.23Å; K283-V314 PolarHBondContact O-N 3.35Å; F285-V314 HydrophobicContact CB-CG2 3.59Å; F285-V314 HydrophobicContact CD1-CG2 4.14Å; F285-V314 HydrophobicContact CG-CG2 4.23Å; V312-V314 HydrophobicContact CG2-CG2 3.92Å; V314-Y316 PolarHBondContact O-N 3.44Å
315	P	96.7	Very high	93.6	Very high	73 Å²	73	58.5 Å²	58.5	47%	0.474	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	136.8	172.9	-26.4	34.5	0	0	0	110.5	Y282 R317	Y282-P315 HydrophobicContact CD1-CG 4.48Å; Y282-P315 HydrophobicContact CE1-CG 4.24Å; P315-R317 WeakPolarHBondContact O-CG 3.26Å; P315-R317 PolarHBondContact O-N 3.3Å
316	Y	97.8	Very high	94.6	Very high	72 Å²	72	56.7 Å²	56.7	28%	0.282	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-65.9	132.2	176.4	171.9	-109	0	0	0	110.1	G266 D268 I274 K281 K283 V314	G266-Y316 WeakPolarHBondContact O-CA 3.1Å; G266-Y316 WeakPolarHBondContact O-CD2 3.29Å; D268-Y316 VanDerWaalsContact CG-OH 3.32Å; D268-Y316 WeakPolarHBondContact OD1-CE2 3.37Å; D268-Y316 VanDerWaalsContact OD1-CZ 3.23Å; D268-Y316 PolarHBondContact OD1-OH 3.47Å; D268-Y316 PolarHBondContact OD2-OH 2.99Å; I274-Y316 HydrophobicContact CD1-CD2 4.12Å; I274-Y316 HydrophobicContact CD1-CE2 3.74Å; I274-Y316 HydrophobicContact CG1-CD2 4.26Å; I274-Y316 HydrophobicContact CG1-CE2 4.29Å; K281-Y316 HydrophobicContact CB-CD1 4.13Å; K281-Y316 HydrophobicContact CB-CG 4.17Å; K281-Y316 HydrophobicContact CD-CD1 4.26Å; K281-Y316 WeakPolarHBondContact O-CB 3.41Å; K281-Y316 PolarHBondContact O-N 2.91Å; K283-Y316 HydrophobicContact CD-CD2 4.06Å; K283-Y316 HydrophobicContact CG-CD2 4.23Å; V314-Y316 PolarHBondContact O-N 3.44Å
317	R	97.4	Very high	95.7	Very high	107 Å²	107	53.5 Å²	53.5	40%	0.404	27%	0.266	S	S	.	.			trans	-114.3	0.9	-170.1	-63.2	-179.5	179.1	163.6	-0.5	113.9	G262 M263 A265 G266 H267 P315	G262-R317 PolarHBondContact O-NH1 3.09Å; G262-R317 VanDerWaalsContact O-NH1 3.07Å; M263-R317 PolarHBondContact O-NH1 2.87Å; M263-R317 VanDerWaalsContact O-NH1 3.07Å; A265-R317 PolarHBondContact O-NH1 2.82Å; G266-R317 PolarHBondContact O-N 2.98Å; H267-R317 VanDerWaalsContact CD2-CB 3.47Å; H267-R317 WeakPolarHBondContact CD2-CB 3.43Å; H267-R317 VanDerWaalsContact NE2-CB 3.34Å; H267-R317 WeakPolarHBondContact NE2-CB 3.37Å; P315-R317 WeakPolarHBondContact O-CG 3.26Å; P315-R317 PolarHBondContact O-N 3.3Å
318	G	97.9	Very high	96.3	Very high	16 Å²	16	52.8 Å²	52.8	17%	0.165	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	70.8	-145.8	-174.9	0	0	0	0	0	112.6	H267 D268	H267-G318 CarbonylContact C-O 3.52Å; H267-G318 WeakPolarHBondContact CA-O 3.42Å; H267-G318 VanDerWaalsContact CB-O 3.25Å; H267-G318 WeakPolarHBondContact CB-O 3.32Å; H267-G318 PolarHBondContact CD2-O 3.19Å; H267-G318 VanDerWaalsContact CD2-O 3.32Å; D268-G318 PolarHBondContact N-O 3.31Å
319	D	98.4	Very high	96.8	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	26%	0.261	S	S	.	.			trans	-69.8	132.2	-179.4	-163.9	-51.7	0	0	0	111.8	D268 Q269 E321 N322	D268-D319 PolarHBondContact OD2-N 2.94Å; D268-D319 VanDerWaalsContact OD2-N 3.14Å; Q269-D319 PolarHBondContact NE2-OD1 3.07Å; Q269-D319 PolarHBondContact NE2-OD2 3.02Å; D319-E321 PolarHBondContact O-N 3.41Å; D319-E321 WeakPolarHBondContact OD1-CB 3.33Å; D319-E321 PolarHBondContact OD1-N 3.48Å; D319-N322 PolarHBondContact O-N 2.94Å
320	V	98.7	Very high	97.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-21.1	179.6	76.6	0	0	0	0	114	M82 V85 L86 L264 H267 Q269 N322 T323 V324	M82-V320 HydrophobicContact CE-CB 4.48Å; M82-V320 HydrophobicContact CE-CG2 4.08Å; M82-V320 HydrophobicContact SD-CB 4.2Å; M82-V320 HydrophobicContact SD-CG1 3.86Å; M82-V320 HydrophobicContact SD-CG2 3.74Å; V85-V320 HydrophobicContact CB-CG1 3.78Å; V85-V320 HydrophobicContact CG1-CG1 3.54Å; V85-V320 HydrophobicContact CG2-CG1 4.21Å; L86-V320 HydrophobicContact CD1-CG1 4.38Å; L264-V320 HydrophobicContact CD2-CG2 3.77Å; H267-V320 HydrophobicContact CB-CB 3.87Å; H267-V320 HydrophobicContact CB-CG2 4.37Å; H267-V320 WeakPolarHBondContact CD2-CA 3.16Å; Q269-V320 HydrophobicContact CB-CG1 4.35Å; Q269-V320 HydrophobicContact CG-CG1 3.98Å; Q269-V320 VanDerWaalsContact OE1-CB 3.28Å; V320-N322 PolarHBondContact O-N 3.31Å; V320-N322 VanDerWaalsContact O-N 3.13Å; V320-T323 PolarHBondContact O-N 3.16Å; V320-V324 HydrophobicContact CG2-CG2 4.41Å; V320-V324 WeakPolarHBondContact O-CG2 3.49Å; V320-V324 PolarHBondContact O-N 3.49Å
321	E	98.4	Very high	97.6	Very high	28 Å²	28	47 Å²	47	13%	0.131	25%	0.248	C	C	.	.	H	α-helix	trans	-49	-40.2	175.3	177.4	65.8	-162.5	0	0	112	V85 H89 D319 V324 R325	V85-E321 HydrophobicContact CG1-CB 4.27Å; H89-E321 IonicContact CD2-OE2 2.67Å; H89-E321 IonicContact CE1-OE1 3.87Å; H89-E321 PolarHBondContact CE1-OE1 2.9Å; H89-E321 IonicContact CE1-OE2 3.4Å; H89-E321 IonicContact NE2-OE1 2.77Å; H89-E321 PolarHBondContact NE2-OE1 3.06Å; H89-E321 IonicContact NE2-OE2 3.64Å; H89-E321 PolarHBondContact NE2-OE2 2.95Å; D319-E321 PolarHBondContact O-N 3.41Å; D319-E321 WeakPolarHBondContact OD1-CB 3.33Å; D319-E321 PolarHBondContact OD1-N 3.48Å; E321-V324 PolarHBondContact O-N 3.13Å; E321-R325 WeakPolarHBondContact O-CG 3.35Å; E321-R325 PolarHBondContact O-N 3.11Å; E321-R325 IonicContact OE1-CZ 3.12Å; E321-R325 IonicContact OE1-NE 2.75Å; E321-R325 PolarHBondContact OE1-NE 3.31Å; E321-R325 IonicContact OE1-NH2 2.79Å; E321-R325 PolarHBondContact OE1-NH2 3.12Å
322	N	98.3	Very high	97.9	Very high	99 Å²	99	47.8 Å²	47.8	53%	0.529	25%	0.245	S	C	.	.	H	α-helix	trans	-67	-43.1	-179.8	-67	-41	0	0	0	111.8	D319 V320 R325 D326	D319-N322 PolarHBondContact O-N 2.94Å; V320-N322 PolarHBondContact O-N 3.31Å; V320-N322 VanDerWaalsContact O-N 3.13Å; N322-R325 PolarHBondContact O-N 2.87Å; N322-D326 PolarHBondContact O-N 2.85Å
323	T	98.6	Very high	98.1	Very high	28 Å²	28	47 Å²	47	17%	0.172	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-39.9	176.2	-67.3	0	0	0	0	111.3	L264 H267 V320 D326 V327	L264-T323 HydrophobicContact CD2-CG2 4.31Å; H267-T323 PolarHBondContact CE1-OG1 2.94Å; H267-T323 PolarHBondContact NE2-OG1 3.43Å; V320-T323 PolarHBondContact O-N 3.16Å; T323-D326 PolarHBondContact O-N 3.42Å; T323-V327 HydrophobicContact CG2-CG2 4.48Å; T323-V327 WeakPolarHBondContact O-CG2 3.36Å; T323-V327 PolarHBondContact O-N 3.17Å
324	V	98.6	Very high	98.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-49.3	174.1	172.7	0	0	0	0	110.1	L86 H89 L91 V320 E321 D326 V327 L328	L86-V324 HydrophobicContact CD1-CG2 3.94Å; H89-V324 HydrophobicContact CB-CG1 4.32Å; L91-V324 HydrophobicContact CD1-CG1 4.4Å; L91-V324 HydrophobicContact CD2-CG1 4.12Å; L91-V324 HydrophobicContact CD2-CG2 4.48Å; V320-V324 HydrophobicContact CG2-CG2 4.41Å; V320-V324 WeakPolarHBondContact O-CG2 3.49Å; V320-V324 PolarHBondContact O-N 3.49Å; E321-V324 PolarHBondContact O-N 3.13Å; V324-D326 VanDerWaalsContact C-N 3.33Å; V324-D326 PolarHBondContact O-N 3.19Å; V324-V327 PolarHBondContact O-N 2.96Å; V324-L328 HydrophobicContact CG1-CD1 3.91Å; V324-L328 HydrophobicContact CG1-CG 4.2Å; V324-L328 VanDerWaalsContact O-CG 3.27Å; V324-L328 WeakPolarHBondContact O-CG 3.25Å; V324-L328 PolarHBondContact O-N 3.24Å
325	R	98.6	Very high	98.4	Very high	150 Å²	150	43.7 Å²	43.7	57%	0.566	23%	0.226	S	C	*	.	H	α-helix	trans	-59.9	-41.1	178.3	-72.9	175.2	-174.7	175.1	2.6	112.8	E321 N322 G329	E321-R325 WeakPolarHBondContact O-CG 3.35Å; E321-R325 PolarHBondContact O-N 3.11Å; E321-R325 IonicContact OE1-CZ 3.12Å; E321-R325 IonicContact OE1-NE 2.75Å; E321-R325 PolarHBondContact OE1-NE 3.31Å; E321-R325 IonicContact OE1-NH2 2.79Å; E321-R325 PolarHBondContact OE1-NH2 3.12Å; N322-R325 PolarHBondContact O-N 2.87Å; R325-G329 PolarHBondContact O-N 3.05Å
326	D	98.8	Very high	98.5	Very high	98 Å²	98	41.5 Å²	41.5	52%	0.524	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-48.4	177	-177	57.1	0	0	0	111.7	P244 N322 T323 V324 L328 G329 G330	P244-D326 VanDerWaalsContact CG-OD2 3.25Å; P244-D326 WeakPolarHBondContact CG-OD2 3.45Å; N322-D326 PolarHBondContact O-N 2.85Å; T323-D326 PolarHBondContact O-N 3.42Å; V324-D326 VanDerWaalsContact C-N 3.33Å; V324-D326 PolarHBondContact O-N 3.19Å; D326-L328 PolarHBondContact O-N 2.88Å; D326-G329 PolarHBondContact O-N 2.88Å; D326-G330 PolarHBondContact O-N 3.46Å
327	V	98.8	Very high	98.6	Very high	2 Å²	2	45 Å²	45	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-59.7	-48.8	177.1	172.6	0	0	0	0	111.5	I69 P244 V247 M260 M263 T323 V324 G329 G330 L331	I69-V327 HydrophobicContact CD1-CG1 3.86Å; P244-V327 HydrophobicContact CG-CG2 4.23Å; V247-V327 HydrophobicContact CG1-CG1 4.26Å; V247-V327 HydrophobicContact CG2-CG1 4.36Å; M260-V327 HydrophobicContact SD-CG1 4.45Å; M260-V327 HydrophobicContact SD-CG2 4.48Å; M263-V327 HydrophobicContact CE-CG2 3.57Å; T323-V327 HydrophobicContact CG2-CG2 4.48Å; T323-V327 WeakPolarHBondContact O-CG2 3.36Å; T323-V327 PolarHBondContact O-N 3.17Å; V324-V327 PolarHBondContact O-N 2.96Å; V327-G329 VanDerWaalsContact C-N 3.33Å; V327-G329 PolarHBondContact O-N 3.38Å; V327-G330 PolarHBondContact O-N 2.74Å; V327-L331 WeakPolarHBondContact O-CB 3.48Å; V327-L331 PolarHBondContact O-N 3.35Å
328	L	98.8	Very high	98.6	Very high	4 Å²	4	40 Å²	40	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-35.8	179.1	-60.6	-175.1	0	0	0	111.7	L51 I67 I69 H89 L91 V324 D326 L331 R332	L51-L328 HydrophobicContact CD1-CB 3.9Å; L51-L328 HydrophobicContact CD1-CD2 3.77Å; L51-L328 HydrophobicContact CD1-CG 4.32Å; I67-L328 HydrophobicContact CD1-CD1 4.12Å; I67-L328 HydrophobicContact CD1-CD2 4.23Å; I67-L328 HydrophobicContact CG2-CD2 3.83Å; I69-L328 HydrophobicContact CD1-CD2 3.83Å; H89-L328 HydrophobicContact CB-CD1 4.44Å; L91-L328 HydrophobicContact CD1-CD1 4.28Å; L91-L328 HydrophobicContact CD1-CD2 4.41Å; V324-L328 HydrophobicContact CG1-CD1 3.91Å; V324-L328 HydrophobicContact CG1-CG 4.2Å; V324-L328 VanDerWaalsContact O-CG 3.27Å; V324-L328 WeakPolarHBondContact O-CG 3.25Å; V324-L328 PolarHBondContact O-N 3.24Å; D326-L328 PolarHBondContact O-N 2.88Å; L328-L331 PolarHBondContact O-N 2.97Å; L328-R332 WeakPolarHBondContact O-CG 3.42Å; L328-R332 PolarHBondContact O-N 3.42Å
329	G	98.8	Very high	98.6	Very high	28 Å²	28	39.6 Å²	39.6	29%	0.289	20%	0.202	S	C	.	.	H	α-helix	trans	-63.3	-46.4	174.7	0	0	0	0	0	112.2	R325 D326 V327 R332 S333	R325-G329 PolarHBondContact O-N 3.05Å; D326-G329 PolarHBondContact O-N 2.88Å; V327-G329 VanDerWaalsContact C-N 3.33Å; V327-G329 PolarHBondContact O-N 3.38Å; G329-R332 PolarHBondContact O-N 2.99Å; G329-S333 WeakPolarHBondContact O-CB 3.38Å; G329-S333 PolarHBondContact O-N 3.5Å
330	G	98.8	Very high	98.7	Very high	19 Å²	19	36.6 Å²	36.6	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-43.9	174.2	0	0	0	0	0	112.2	D326 V327 S333 T334	D326-G330 PolarHBondContact O-N 3.46Å; V327-G330 PolarHBondContact O-N 2.74Å; G330-S333 VanDerWaalsContact O-CB 3.31Å; G330-S333 WeakPolarHBondContact O-CB 3.44Å; G330-S333 PolarHBondContact O-N 3.4Å; G330-T334 PolarHBondContact O-N 2.87Å; G330-T334 PolarHBondContact O-OG1 3.11Å
331	L	98.6	Very high	98.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-43.5	178.4	-170.9	58	0	0	0	112.5	L51 A248 F251 V327 L328 S333 T334 C335 L343 L346	L51-L331 HydrophobicContact CD1-CD2 4.35Å; L51-L331 HydrophobicContact CD2-CB 4.33Å; L51-L331 HydrophobicContact CD2-CD2 3.89Å; L51-L331 HydrophobicContact CD2-CG 3.81Å; A248-L331 HydrophobicContact CB-CD1 3.75Å; F251-L331 HydrophobicContact CD2-CD1 3.9Å; F251-L331 HydrophobicContact CD2-CD2 3.98Å; F251-L331 HydrophobicContact CE2-CD2 3.81Å; V327-L331 WeakPolarHBondContact O-CB 3.48Å; V327-L331 PolarHBondContact O-N 3.35Å; L328-L331 PolarHBondContact O-N 2.97Å; L331-S333 VanDerWaalsContact C-N 3.31Å; L331-S333 PolarHBondContact O-N 3Å; L331-T334 PolarHBondContact O-N 3.47Å; L331-C335 PolarHBondContact O-N 3.31Å; L331-C335 PolarHBondContact O-SG 3.02Å; L331-L343 HydrophobicContact CD1-CD1 3.99Å; L331-L343 HydrophobicContact CD2-CD1 3.96Å; L331-L343 HydrophobicContact CD2-CD2 4.16Å; L331-L343 HydrophobicContact CG-CD1 4.16Å; L331-L346 HydrophobicContact CD1-CD2 3.88Å
332	R	98.8	Very high	98.7	Very high	75 Å²	75	42.4 Å²	42.4	28%	0.283	22%	0.218	S	C	.	.	H	α-helix	trans	-61.6	-40.6	173.3	-68.4	-178.2	-172	101.1	-5.5	111.4	R46 V49 L51 L328 G329 C335 T336	R46-R332 HydrophobicContact CB-CB 4.08Å; R46-R332 WeakPolarHBondContact O-CD 3.25Å; V49-R332 HydrophobicContact CB-CB 4.23Å; V49-R332 HydrophobicContact CB-CG 4.02Å; V49-R332 HydrophobicContact CG1-CG 4.21Å; L51-R332 HydrophobicContact CD1-CG 3.87Å; L51-R332 HydrophobicContact CD2-CG 3.88Å; L51-R332 HydrophobicContact CG-CG 3.89Å; L328-R332 WeakPolarHBondContact O-CG 3.42Å; L328-R332 PolarHBondContact O-N 3.42Å; G329-R332 PolarHBondContact O-N 2.99Å; R332-C335 WeakPolarHBondContact O-CB 3.44Å; R332-C335 PolarHBondContact O-N 3.24Å; R332-T336 WeakPolarHBondContact O-CG2 3.23Å; R332-T336 PolarHBondContact O-N 2.98Å
333	S	98.8	Very high	98.7	Very high	30 Å²	30	37.7 Å²	37.7	21%	0.21	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-51.8	175.3	-164.4	0	0	0	0	111.3	G329 G330 L331 C335 T336 Y337	G329-S333 WeakPolarHBondContact O-CB 3.38Å; G329-S333 PolarHBondContact O-N 3.5Å; G330-S333 VanDerWaalsContact O-CB 3.31Å; G330-S333 WeakPolarHBondContact O-CB 3.44Å; G330-S333 PolarHBondContact O-N 3.4Å; L331-S333 VanDerWaalsContact C-N 3.31Å; L331-S333 PolarHBondContact O-N 3Å; S333-C335 VanDerWaalsContact C-N 3.3Å; S333-C335 PolarHBondContact O-N 3.27Å; S333-T336 PolarHBondContact O-N 2.98Å; S333-T336 VanDerWaalsContact O-N 3.1Å; S333-T336 PolarHBondContact O-OG1 3.16Å; S333-Y337 VanDerWaalsContact O-CD2 3.31Å; S333-Y337 WeakPolarHBondContact O-CD2 3.22Å; S333-Y337 PolarHBondContact O-N 3.33Å; S333-Y337 VanDerWaalsContact O-N 3.1Å
334	T	98.8	Very high	98.7	Very high	22 Å²	22	43.1 Å²	43.1	14%	0.135	21%	0.214	C	C	.	.	H	α-helix	trans	-56.4	-45.4	176.4	-57.3	0	0	0	0	111.7	F36 A248 G330 L331 T336 Y337 V338 L346	F36-T334 HydrophobicContact CD1-CG2 4.42Å; F36-T334 HydrophobicContact CD2-CG2 3.76Å; F36-T334 HydrophobicContact CE1-CG2 4.38Å; F36-T334 HydrophobicContact CE2-CG2 3.72Å; F36-T334 HydrophobicContact CG-CG2 4.13Å; F36-T334 HydrophobicContact CZ-CG2 4.04Å; A248-T334 HydrophobicContact CB-CG2 3.93Å; G330-T334 PolarHBondContact O-N 2.87Å; G330-T334 PolarHBondContact O-OG1 3.11Å; L331-T334 PolarHBondContact O-N 3.47Å; T334-T336 VanDerWaalsContact C-N 3.31Å; T334-T336 PolarHBondContact O-N 3.16Å; T334-Y337 PolarHBondContact O-N 3.34Å; T334-Y337 VanDerWaalsContact O-N 3.12Å; T334-V338 WeakPolarHBondContact O-CG2 3.37Å; T334-V338 PolarHBondContact O-N 3.35Å; T334-V338 VanDerWaalsContact O-N 3.08Å; T334-L346 HydrophobicContact CG2-CD1 4.19Å
335	C	98.8	Very high	98.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.3	-42.9	177.5	-70	0	0	0	0	112	V49 L331 R332 S333 Y337 V338 G339 A340	V49-C335 HydrophobicContact CB-CB 4.44Å; V49-C335 HydrophobicContact CG1-CB 3.59Å; V49-C335 HydrophobicContact CG2-CB 3.96Å; L331-C335 PolarHBondContact O-N 3.31Å; L331-C335 PolarHBondContact O-SG 3.02Å; R332-C335 WeakPolarHBondContact O-CB 3.44Å; R332-C335 PolarHBondContact O-N 3.24Å; S333-C335 VanDerWaalsContact C-N 3.3Å; S333-C335 PolarHBondContact O-N 3.27Å; C335-Y337 PolarHBondContact O-N 2.88Å; C335-V338 PolarHBondContact O-N 3.45Å; C335-G339 PolarHBondContact O-N 3.47Å; C335-A340 HydrophobicContact CB-CB 4.14Å; C335-A340 WeakPolarHBondContact CB-O 3.38Å; C335-A340 PolarHBondContact O-N 3.12Å
336	T	98.8	Very high	98.7	Very high	26 Å²	26	38.3 Å²	38.3	16%	0.16	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-40.2	175.7	60.2	0	0	0	0	113	S41 L43 R46 V49 R332 S333 T334 V338 G339	S41-T336 WeakPolarHBondContact CB-O 3.22Å; S41-T336 PolarHBondContact OG-O 2.91Å; L43-T336 HydrophobicContact CB-CG2 4.32Å; L43-T336 HydrophobicContact CD1-CG2 4.25Å; R46-T336 HydrophobicContact CB-CG2 4.36Å; R46-T336 HydrophobicContact CG-CG2 3.82Å; V49-T336 HydrophobicContact CG2-CG2 3.84Å; R332-T336 WeakPolarHBondContact O-CG2 3.23Å; R332-T336 PolarHBondContact O-N 2.98Å; S333-T336 PolarHBondContact O-N 2.98Å; S333-T336 VanDerWaalsContact O-N 3.1Å; S333-T336 PolarHBondContact O-OG1 3.16Å; T334-T336 VanDerWaalsContact C-N 3.31Å; T334-T336 PolarHBondContact O-N 3.16Å; T336-V338 VanDerWaalsContact C-N 3.34Å; T336-V338 PolarHBondContact O-N 3Å; T336-G339 PolarHBondContact O-N 2.89Å
337	Y	98.8	Very high	98.6	Very high	147 Å²	147	35.8 Å²	35.8	58%	0.576	19%	0.188	S	C	*	.	H	α-helix	trans	-65.8	-32.3	178.6	-83	-65.7	0	0	0	113.7	P38 K39 S333 T334 C335	P38-Y337 CarbonylContact C-O 3.52Å; P38-Y337 VanDerWaalsContact CA-O 3.3Å; P38-Y337 WeakPolarHBondContact CA-O 3.19Å; P38-Y337 HydrophobicContact CB-CD1 4.48Å; K39-Y337 PolarHBondContact N-O 3.18Å; S333-Y337 VanDerWaalsContact O-CD2 3.31Å; S333-Y337 WeakPolarHBondContact O-CD2 3.22Å; S333-Y337 PolarHBondContact O-N 3.33Å; S333-Y337 VanDerWaalsContact O-N 3.1Å; T334-Y337 PolarHBondContact O-N 3.34Å; T334-Y337 VanDerWaalsContact O-N 3.12Å; C335-Y337 PolarHBondContact O-N 2.88Å
338	V	98.6	Very high	98.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-95.8	-2.8	177.7	-58.6	0	0	0	0	113.3	F36 T334 C335 T336 A340 L346 R349	F36-V338 HydrophobicContact CB-CG1 4.26Å; F36-V338 HydrophobicContact CD1-CG1 3.95Å; F36-V338 HydrophobicContact CG-CG1 4.37Å; T334-V338 WeakPolarHBondContact O-CG2 3.37Å; T334-V338 PolarHBondContact O-N 3.35Å; T334-V338 VanDerWaalsContact O-N 3.08Å; C335-V338 PolarHBondContact O-N 3.45Å; T336-V338 VanDerWaalsContact C-N 3.34Å; T336-V338 PolarHBondContact O-N 3Å; V338-A340 HydrophobicContact CG2-CB 3.9Å; V338-L346 HydrophobicContact CG2-CD1 3.53Å; V338-R349 HydrophobicContact CB-CB 4.35Å; V338-R349 HydrophobicContact CG2-CB 4.31Å
339	G	98.2	Very high	98.6	Very high	8 Å²	8	50.6 Å²	50.6	8%	0.082	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	31.1	-178.7	0	0	0	0	0	115	S41 C335 T336 R349	S41-G339 WeakPolarHBondContact OG-CA 3.5Å; C335-G339 PolarHBondContact O-N 3.47Å; T336-G339 PolarHBondContact O-N 2.89Å; G339-R349 VanDerWaalsContact O-CD 3.28Å; G339-R349 WeakPolarHBondContact O-CD 3.27Å; G339-R349 PolarHBondContact O-NE 2.66Å; G339-R349 PolarHBondContact O-NH1 2.63Å
340	A	98.6	Very high	98.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.235	C	C	.	.			trans	-92.5	110.2	176.7	0	0	0	0	0	110.7	L43 C335 V338 K342 E345	L43-A340 WeakPolarHBondContact CD1-O 3.42Å; C335-A340 HydrophobicContact CB-CB 4.14Å; C335-A340 WeakPolarHBondContact CB-O 3.38Å; C335-A340 PolarHBondContact O-N 3.12Å; V338-A340 HydrophobicContact CG2-CB 3.9Å; A340-K342 VanDerWaalsContact C-N 3.3Å; A340-E345 HydrophobicContact CB-CB 3.98Å
341	A	98.6	Very high	98.6	Very high	36 Å²	36	52.1 Å²	52.1	30%	0.298	24%	0.243	S	C	.	.	S	Bend	trans	-74.8	-24.4	177.4	0	0	0	0	0	112.6	L43 V49 D50	L43-A341 HydrophobicContact CD2-CB 4.01Å; V49-A341 WeakPolarHBondContact CA-O 3.43Å; D50-A341 PolarHBondContact N-O 2.81Å
342	K	98.7	Very high	98.6	Very high	113 Å²	113	54.6 Å²	54.6	49%	0.491	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-129.9	147.3	176.7	-54.6	-173.6	-179.8	-176.5	0	109.7	D50 A340 K344 E345	D50-K342 HydrophobicContact CB-CG 4.25Å; D50-K342 CarbonylContact O-C 3.5Å; D50-K342 VanDerWaalsContact O-CA 3.29Å; D50-K342 WeakPolarHBondContact O-CA 3.37Å; A340-K342 VanDerWaalsContact C-N 3.3Å; K342-K344 PolarHBondContact O-N 3.5Å; K342-K344 VanDerWaalsContact O-N 3.08Å; K342-E345 WeakPolarHBondContact O-CB 3.46Å; K342-E345 PolarHBondContact O-N 2.65Å
343	L	98.7	Very high	98.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-56	-30.1	176.9	-176.3	60.7	0	0	0	112.6	D50 L51 R53 P68 F251 L331 E345 L346	D50-L343 PolarHBondContact O-N 3.44Å; L51-L343 WeakPolarHBondContact O-CD2 3.44Å; R53-L343 HydrophobicContact CG-CB 4.49Å; R53-L343 HydrophobicContact CG-CD2 4.14Å; R53-L343 HydrophobicContact CG-CG 4.42Å; P68-L343 HydrophobicContact CG-CD2 3.87Å; F251-L343 HydrophobicContact CB-CD1 4.24Å; F251-L343 HydrophobicContact CD1-CD2 4.38Å; F251-L343 HydrophobicContact CD2-CD1 4.24Å; F251-L343 HydrophobicContact CE1-CD2 4.24Å; F251-L343 HydrophobicContact CE2-CD2 4.4Å; F251-L343 HydrophobicContact CG-CD1 4.12Å; F251-L343 HydrophobicContact CZ-CD2 4.25Å; L331-L343 HydrophobicContact CD1-CD1 3.99Å; L331-L343 HydrophobicContact CD2-CD1 3.96Å; L331-L343 HydrophobicContact CD2-CD2 4.16Å; L331-L343 HydrophobicContact CG-CD1 4.16Å; L343-E345 PolarHBondContact O-N 2.93Å; L343-E345 VanDerWaalsContact O-N 3.12Å; L343-L346 HydrophobicContact CD1-CB 4.12Å; L343-L346 HydrophobicContact CD1-CD2 3.65Å; L343-L346 WeakPolarHBondContact O-CB 3.49Å; L343-L346 PolarHBondContact O-N 3.46Å
344	K	98.2	Very high	98.5	Very high	142 Å²	142	61.3 Å²	61.3	62%	0.617	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-54.9	-27.3	173.4	-176.9	176.5	178.7	176.2	0	113.5	K342	K342-K344 PolarHBondContact O-N 3.5Å; K342-K344 VanDerWaalsContact O-N 3.08Å
345	E	98.7	Very high	98.5	Very high	52 Å²	52	61.6 Å²	61.6	24%	0.243	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-89.4	-13.6	-178.5	-60	174.2	-143.8	0	0	113.2	A340 K342 L343 S347 R348 R349	A340-E345 HydrophobicContact CB-CB 3.98Å; K342-E345 WeakPolarHBondContact O-CB 3.46Å; K342-E345 PolarHBondContact O-N 2.65Å; L343-E345 PolarHBondContact O-N 2.93Å; L343-E345 VanDerWaalsContact O-N 3.12Å; E345-S347 PolarHBondContact O-N 3.15Å; E345-R348 PolarHBondContact O-N 2.99Å; E345-R349 WeakPolarHBondContact O-CB 3.45Å; E345-R349 WeakPolarHBondContact O-CG 3.27Å; E345-R349 PolarHBondContact O-N 2.68Å; E345-R349 IonicContact OE2-CZ 3.79Å; E345-R349 VanDerWaalsContact OE2-CZ 3.31Å; E345-R349 IonicContact OE2-NE 3.63Å; E345-R349 PolarHBondContact OE2-NE 3.46Å; E345-R349 IonicContact OE2-NH2 3.79Å; E345-R349 PolarHBondContact OE2-NH2 3.16Å
346	L	98.8	Very high	98.3	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-55.5	-170.4	179	55.2	0	0	0	111.1	F36 F251 L331 T334 V338 L343 R348 R349 T350	F36-L346 HydrophobicContact CE1-CD1 4.25Å; F251-L346 HydrophobicContact CB-CD2 3.73Å; L331-L346 HydrophobicContact CD1-CD2 3.88Å; T334-L346 HydrophobicContact CG2-CD1 4.19Å; V338-L346 HydrophobicContact CG2-CD1 3.53Å; L343-L346 HydrophobicContact CD1-CB 4.12Å; L343-L346 HydrophobicContact CD1-CD2 3.65Å; L343-L346 WeakPolarHBondContact O-CB 3.49Å; L343-L346 PolarHBondContact O-N 3.46Å; L346-R348 PolarHBondContact O-N 3.49Å; L346-R349 CarbonylContact O-C 3.56Å; L346-R349 PolarHBondContact O-N 3.41Å; L346-T350 PolarHBondContact O-N 3.09Å; L346-T350 PolarHBondContact O-OG1 3.46Å
347	S	98	Very high	98	Very high	46 Å²	46	73.9 Å²	73.9	32%	0.322	35%	0.347	S	S	.	.	H	α-helix	trans	-57.4	-45.6	179.5	58.9	0	0	0	0	112.8	G252 E345 R349 T350	G252-S347 WeakPolarHBondContact O-CA 3.04Å; E345-S347 PolarHBondContact O-N 3.15Å; S347-R349 PolarHBondContact O-N 3.33Å; S347-T350 WeakPolarHBondContact O-CB 3.48Å; S347-T350 PolarHBondContact O-N 3.24Å; S347-T350 VanDerWaalsContact O-N 3.08Å; S347-T350 PolarHBondContact O-OG1 3.21Å
348	R	97.9	Very high	97.6	Very high	221 Å²	221	69.7 Å²	69.7	83%	0.834	33%	0.333	S	S	*	.	H	α-helix	trans	-61.2	-27.9	177.1	-65.7	-175.8	67.1	179.8	2	113.2	E345 L346	E345-R348 PolarHBondContact O-N 2.99Å; L346-R348 PolarHBondContact O-N 3.49Å
349	R	98.5	Very high	97.1	Very high	95 Å²	95	73.5 Å²	73.5	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-98	-5.6	179.1	-66.8	175.1	-177.4	-86.7	6.3	112.5	K39 V338 G339 E345 L346 S347	K39-R349 WeakPolarHBondContact CD-O 3.36Å; K39-R349 WeakPolarHBondContact CE-O 3.45Å; K39-R349 PolarHBondContact NZ-O 3.37Å; V338-R349 HydrophobicContact CB-CB 4.35Å; V338-R349 HydrophobicContact CG2-CB 4.31Å; G339-R349 VanDerWaalsContact O-CD 3.28Å; G339-R349 WeakPolarHBondContact O-CD 3.27Å; G339-R349 PolarHBondContact O-NE 2.66Å; G339-R349 PolarHBondContact O-NH1 2.63Å; E345-R349 WeakPolarHBondContact O-CB 3.45Å; E345-R349 WeakPolarHBondContact O-CG 3.27Å; E345-R349 PolarHBondContact O-N 2.68Å; E345-R349 IonicContact OE2-CZ 3.79Å; E345-R349 VanDerWaalsContact OE2-CZ 3.31Å; E345-R349 IonicContact OE2-NE 3.63Å; E345-R349 PolarHBondContact OE2-NE 3.46Å; E345-R349 IonicContact OE2-NH2 3.79Å; E345-R349 PolarHBondContact OE2-NH2 3.16Å; L346-R349 CarbonylContact O-C 3.56Å; L346-R349 PolarHBondContact O-N 3.41Å; S347-R349 PolarHBondContact O-N 3.33Å
350	T	98.7	Very high	96.5	Very high	21 Å²	21	76.6 Å²	76.6	13%	0.129	38%	0.38	C	S	.	.			trans	-65.3	138.4	175.8	-59.9	0	0	0	0	110.9	F36 G252 L346 S347 F352	F36-T350 HydrophobicContact CD1-CG2 3.92Å; F36-T350 HydrophobicContact CE1-CG2 3.6Å; F36-T350 WeakPolarHBondContact CE1-OG1 3.4Å; G252-T350 WeakPolarHBondContact CA-OG1 3.34Å; G252-T350 VanDerWaalsContact O-CB 3.31Å; G252-T350 WeakPolarHBondContact O-CB 3.22Å; G252-T350 WeakPolarHBondContact O-CG2 3.31Å; G252-T350 PolarHBondContact O-OG1 3.03Å; L346-T350 PolarHBondContact O-N 3.09Å; L346-T350 PolarHBondContact O-OG1 3.46Å; S347-T350 WeakPolarHBondContact O-CB 3.48Å; S347-T350 PolarHBondContact O-N 3.24Å; S347-T350 VanDerWaalsContact O-N 3.08Å; S347-T350 PolarHBondContact O-OG1 3.21Å; T350-F352 HydrophobicContact CG2-CD1 4Å; T350-F352 HydrophobicContact CG2-CD2 3.82Å; T350-F352 HydrophobicContact CG2-CE1 3.77Å; T350-F352 HydrophobicContact CG2-CE2 3.6Å; T350-F352 HydrophobicContact CG2-CG 4.01Å; T350-F352 HydrophobicContact CG2-CZ 3.57Å
351	T	98.8	Very high	95.9	Very high	59 Å²	59	84.2 Å²	84.2	36%	0.362	42%	0.415	S	S	.	.			trans	-140.2	116.2	157.4	-60	0	0	0	0	105.3	R37 K39	R37-T351 HydrophobicContact CB-CG2 4.43Å; R37-T351 WeakPolarHBondContact CB-O 3.45Å; R37-T351 PolarHBondContact N-O 3.13Å; K39-T351 WeakPolarHBondContact CE-OG1 3.33Å; K39-T351 PolarHBondContact NZ-OG1 3.37Å
352	F	98.6	Very high	94.9	Very high	53 Å²	53	89.4 Å²	89.4	23%	0.232	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.2	178.5	-72.1	-54.9	0	0	0	110.8	V34 L35 F36 L218 K249 A253 T350	V34-F352 HydrophobicContact CB-CB 3.99Å; V34-F352 HydrophobicContact CB-CD1 3.91Å; V34-F352 HydrophobicContact CB-CG 4.09Å; V34-F352 HydrophobicContact CG1-CB 4.08Å; V34-F352 HydrophobicContact CG1-CG 4.39Å; V34-F352 HydrophobicContact CG2-CB 4.45Å; V34-F352 HydrophobicContact CG2-CD1 3.54Å; V34-F352 HydrophobicContact CG2-CE1 3.9Å; V34-F352 HydrophobicContact CG2-CG 3.99Å; L35-F352 CarbonylContact O-C 3.31Å; L35-F352 WeakPolarHBondContact O-CA 3.34Å; F36-F352 HydrophobicContact CD1-CE1 4.2Å; F36-F352 AromaticContact CE1-CE1 3.87Å; F36-F352 HydrophobicContact CE1-CE1 3.87Å; F36-F352 HydrophobicContact CE1-CZ 4.31Å; F36-F352 HydrophobicContact CE2-CE1 4.2Å; F36-F352 AromaticContact CZ-CE1 3.86Å; F36-F352 HydrophobicContact CZ-CE1 3.86Å; F36-F352 HydrophobicContact CZ-CZ 4.28Å; L218-F352 HydrophobicContact CD1-CE2 3.98Å; L218-F352 HydrophobicContact CD1-CZ 4.02Å; K249-F352 HydrophobicContact CB-CE1 4.26Å; K249-F352 HydrophobicContact CB-CZ 4.37Å; K249-F352 HydrophobicContact CG-CE1 4.05Å; K249-F352 WeakPolarHBondContact O-CZ 3.18Å; A253-F352 HydrophobicContact CB-CE2 4.05Å; A253-F352 HydrophobicContact CB-CZ 4.3Å; T350-F352 HydrophobicContact CG2-CD1 4Å; T350-F352 HydrophobicContact CG2-CD2 3.82Å; T350-F352 HydrophobicContact CG2-CE1 3.77Å; T350-F352 HydrophobicContact CG2-CE2 3.6Å; T350-F352 HydrophobicContact CG2-CG 4.01Å; T350-F352 HydrophobicContact CG2-CZ 3.57Å
353	I	98.3	Very high	93.7	Very high	79 Å²	79	93.5 Å²	93.5	41%	0.405	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.5	167.9	-59.6	169	0	0	0	105.9	V34 L35 R37	V34-I353 CarbonylContact C-O 3.55Å; V34-I353 WeakPolarHBondContact CA-O 3.31Å; L35-I353 PolarHBondContact N-O 3.02Å; L35-I353 PolarHBondContact O-N 3.49Å; R37-I353 HydrophobicContact CB-CD1 3.75Å; R37-I353 HydrophobicContact CB-CG1 3.95Å; R37-I353 HydrophobicContact CG-CD1 4.07Å
354	R	98.1	Very high	91.8	Very high	167 Å²	167	101.6 Å²	101.6	63%	0.63	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	137.4	172.9	-179.4	-179.3	155.9	-174.4	-5.9	109.7	D33	D33-R354 CarbonylContact O-C 3.51Å; D33-R354 WeakPolarHBondContact O-CA 3.43Å
355	V	97.6	Very high	91.5	Very high	28 Å²	28	99.6 Å²	99.6	17%	0.17	50%	0.497	C	S	.	.			trans	-128.6	159.1	-179.3	-62.3	0	0	0	0	111.6	D33 L35 Q357	D33-V355 PolarHBondContact O-N 3.18Å; L35-V355 HydrophobicContact CB-CG1 4.29Å; L35-V355 HydrophobicContact CD1-CG1 3.79Å; L35-V355 HydrophobicContact CG-CG1 3.79Å; L35-V355 HydrophobicContact CG-CG2 4.35Å; V355-Q357 WeakPolarHBondContact CG2-O 3.45Å
356	T	95.1	Very high	91.1	Very high	139 Å²	139	102.1 Å²	102.1	85%	0.853	51%	0.511	S	S	*	.	S	Bend	trans	-91.1	-24.4	165.9	53	0	0	0	0	111.7
357	Q	92.1	Very high	90.7	Very high	145 Å²	145	107.8 Å²	107.8	68%	0.678	54%	0.539	S	S	*	.			trans	-135.9	127.1	178.5	-64	-177.9	51.2	0	0	110.4	V355	V355-Q357 WeakPolarHBondContact CG2-O 3.45Å
358	Q	90.5	Very high	90.2	Very high	59 Å²	59	111.4 Å²	111.4	28%	0.276	55%	0.552	S	S	.	*	S	Bend	trans	-77.1	-38.3	178.1	177	175.6	-3.3	0	0	112.5	K32 L35 D246	K32-Q358 HydrophobicContact CB-CB 4.49Å; L35-Q358 HydrophobicContact CD2-CG 4.41Å; D246-Q358 PolarHBondContact OD1-NE2 3.29Å
359	S	89.7	Confident	89.8	Confident	79 Å²	79	104.6 Å²	104.6	55%	0.552	53%	0.534	S	S	*	.	S	Bend	trans	-153.4	155.2	-175	60.5	0	0	0	0	110.5
360	S	85.4	Confident	89.2	Confident	74 Å²	74	105.2 Å²	105.2	52%	0.517	55%	0.546	S	S	.	.			trans	-72.5	136.7	171.6	-179.7	0	0	0	0	110	M362	S360-M362 WeakPolarHBondContact OG-CG 3.25Å; S360-M362 PolarHBondContact OG-N 3.38Å
361	Q	84.6	Confident	88.5	Confident	160 Å²	160	111.2 Å²	111.2	75%	0.748	58%	0.576	S	S	*	*			trans	-101.4	15.3	175.3	-63.8	-170.3	-12.8	0	0	113	F363 T364	Q361-F363 PolarHBondContact O-N 3.42Å; Q361-F363 VanDerWaalsContact O-N 3.14Å; Q361-T364 WeakPolarHBondContact CA-OG1 3.4Å
362	M	78.9	Confident	87.7	Confident	145 Å²	145	115.2 Å²	115.2	71%	0.714	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-20.4	-171.9	-72.2	-164.9	-54	0	0	114.5	S360	S360-M362 WeakPolarHBondContact OG-CG 3.25Å; S360-M362 PolarHBondContact OG-N 3.38Å
363	F	73	Confident	86.8	Confident	199 Å²	199	120.4 Å²	120.4	87%	0.873	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138	19.1	-174.5	-55.9	-66	0	0	0	114.2	Q361	Q361-F363 PolarHBondContact O-N 3.42Å; Q361-F363 VanDerWaalsContact O-N 3.14Å
364	T	58.6	Low	85.8	Confident	171 Å²	171	124.2 Å²	124.2	100%	1.049	64%	0.642	S	S	*	*			trans	-112.2	0	-177.3	44	0	0	0	0	113.1	Q361	Q361-T364 WeakPolarHBondContact CA-OG1 3.4Å

Retrieved 364 of 364 residues in 283.2 ms (Link to these results)

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