A0A061IGJ9_CRIGR Loading...

Ketimine reductase mu-crystallin

Catalyzes the NAD(P)H-dependent reduction of imine double bonds of a number of cyclic ketimine substrates, including sulfur-containing cyclic ketimines. Under physiological conditions, it efficiently catalyzes delta(1)-piperideine-2-carboxylate (P2C) and delta(1)-pyrroline-2-carboxylate (Pyr2C) reduction, suggesting a central role in lysine and glutamate metabolism. Additional substrates are delta(2)-thiazoline-2-carboxylate (T2C), 3,4-dehydrothiomorpholine-3-carboxylate (AECK), and (R)-lanthionine ketimine (LK) that is reduced at very low rate compared to other substrates. Also catalyzes the NAD(P)H-dependent reduction of (S)-cystathionine ketimine (CysK).

AlphaFold DB , UniProt , Accession A0A061IGJ9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Crym, Length 314 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	60.3	Low	91.2	Very high	239 Å²	239	108.3 Å²	108.3	100%	1.177	56%	0.557	S	S	*	*				0	136	0	-74.8	176.8	-177.9	0	0	108	R3	M1-R3 PolarHBondContact O-N 2.99Å
2	R	75.5	Confident	91.8	Very high	250 Å²	250	104.6 Å²	104.6	94%	0.943	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-69	126	173.6	-66.9	-177.6	-178.9	-179.9	-0.3	108.1
3	R	86.4	Confident	92.3	Very high	237 Å²	237	96.5 Å²	96.5	89%	0.894	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-69.9	140	172	-71.5	-178.7	178.2	176.6	-0.7	108.2	M1	M1-R3 PolarHBondContact O-N 2.99Å
4	A	95.2	Very high	92.6	Very high	91 Å²	91	98.1 Å²	98.1	75%	0.752	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-66	139.4	170.1	0	0	0	0	0	108.9
5	P	97.4	Very high	92.9	Very high	36 Å²	36	98.6 Å²	98.6	23%	0.234	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-67	147.8	176.5	30.4	-36.1	0	0	0	110.2	F7 L106 L107	P5-F7 HydrophobicContact CG-CE2 4.04Å; P5-F7 HydrophobicContact CG-CZ 4.34Å; P5-F7 WeakPolarHBondContact O-CD2 3.49Å; P5-L106 HydrophobicContact CB-CB 4.44Å; P5-L106 HydrophobicContact CB-CD2 3.9Å; P5-L106 HydrophobicContact CB-CG 3.83Å; P5-L106 HydrophobicContact CG-CD2 4Å; P5-L106 HydrophobicContact CG-CG 4.45Å; P5-L107 WeakPolarHBondContact CA-O 3.4Å
6	A	98.1	Very high	93.2	Very high	19 Å²	19	95.4 Å²	95.4	16%	0.157	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	148.1	168.1	0	0	0	0	0	110.5	L8 L107 A108 V109 W310	A6-L8 HydrophobicContact CB-CD1 3.76Å; A6-L107 PolarHBondContact N-O 2.87Å; A6-A108 HydrophobicContact CB-CB 4.2Å; A6-A108 CarbonylContact O-C 3.53Å; A6-A108 VanDerWaalsContact O-CA 3.31Å; A6-A108 WeakPolarHBondContact O-CA 3.35Å; A6-V109 PolarHBondContact O-N 2.84Å; A6-W310 HydrophobicContact CB-CH2 3.28Å; A6-W310 HydrophobicContact CB-CZ2 3.74Å; A6-W310 HydrophobicContact CB-CZ3 3.99Å
7	F	98.5	Very high	93.3	Very high	149 Å²	149	90.1 Å²	90.1	65%	0.654	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.2	170.9	-73.1	-93.7	0	0	0	108	P5 V109	P5-F7 HydrophobicContact CG-CE2 4.04Å; P5-F7 HydrophobicContact CG-CZ 4.34Å; P5-F7 WeakPolarHBondContact O-CD2 3.49Å; F7-V109 VanDerWaalsContact CA-O 3.31Å; F7-V109 WeakPolarHBondContact CA-O 3.46Å; F7-V109 HydrophobicContact CD1-CB 3.95Å; F7-V109 HydrophobicContact CD1-CG1 4.41Å; F7-V109 HydrophobicContact CE1-CB 3.95Å; F7-V109 HydrophobicContact CE1-CG1 4.33Å; F7-V109 HydrophobicContact CE1-CG2 4.07Å; F7-V109 HydrophobicContact CZ-CG2 4.43Å
8	L	98.6	Very high	93.1	Very high	6 Å²	6	94.9 Å²	94.9	3%	0.031	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.3	179.2	-72.2	73.5	0	0	0	108.6	A6 E12 V13 A108 V109 M110 D111 V306 W310	A6-L8 HydrophobicContact CB-CD1 3.76Å; L8-E12 HydrophobicContact CB-CB 4.48Å; L8-V13 HydrophobicContact CB-CG2 4.2Å; L8-A108 HydrophobicContact CD1-CB 4.03Å; L8-V109 PolarHBondContact N-O 3.45Å; L8-M110 HydrophobicContact CB-CB 3.9Å; L8-M110 WeakPolarHBondContact O-CA 3.32Å; L8-D111 PolarHBondContact O-N 2.97Å; L8-V306 HydrophobicContact CD2-CG1 3.76Å; L8-W310 HydrophobicContact CD1-CD2 4.36Å; L8-W310 HydrophobicContact CD1-CZ2 4.17Å; L8-W310 HydrophobicContact CD2-CB 4.06Å; L8-W310 HydrophobicContact CD2-CD2 4.15Å; L8-W310 HydrophobicContact CD2-CG 3.79Å; L8-W310 HydrophobicContact CG-CD2 4.4Å; L8-W310 HydrophobicContact CG-CG 4.36Å
9	S	98.4	Very high	92.8	Very high	55 Å²	55	91.1 Å²	91.1	39%	0.385	45%	0.449	S	S	.	.			trans	-67.7	165.5	175.8	65.5	0	0	0	0	112	A11 E12 V13	S9-A11 PolarHBondContact O-N 3.42Å; S9-E12 VanDerWaalsContact CB-OE2 3.31Å; S9-E12 WeakPolarHBondContact CB-OE2 3.29Å; S9-E12 PolarHBondContact N-OE2 3.3Å; S9-E12 PolarHBondContact O-N 2.91Å; S9-E12 WeakPolarHBondContact OG-CG 3.37Å; S9-E12 PolarHBondContact OG-N 3.04Å; S9-E12 PolarHBondContact OG-OE2 2.89Å; S9-V13 WeakPolarHBondContact O-CG2 3.36Å; S9-V13 PolarHBondContact O-N 3.31Å
10	A	97.3	Very high	92.5	Very high	40 Å²	40	86.5 Å²	86.5	33%	0.331	43%	0.427	S	S	.	.	H	α-helix	trans	-55.5	-37	173.8	0	0	0	0	0	112.6	V13 Q14 D111 V114	A10-V13 PolarHBondContact O-N 3.42Å; A10-Q14 WeakPolarHBondContact O-CB 3.42Å; A10-Q14 PolarHBondContact O-N 2.87Å; A10-D111 HydrophobicContact CB-CB 3.93Å; A10-V114 HydrophobicContact CB-CG2 4.12Å
11	A	97.8	Very high	92.4	Very high	69 Å²	69	83.5 Å²	83.5	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-66.3	-44.6	178.2	0	0	0	0	0	111.8	S9 Q14 E15	S9-A11 PolarHBondContact O-N 3.42Å; A11-Q14 PolarHBondContact O-N 2.97Å; A11-E15 PolarHBondContact O-N 3.15Å
12	E	98.1	Very high	94	Very high	64 Å²	64	77.8 Å²	77.8	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.7	-70.2	164	104.5	0	0	111.3	L8 S9 Q14 E15 H16	L8-E12 HydrophobicContact CB-CB 4.48Å; S9-E12 VanDerWaalsContact CB-OE2 3.31Å; S9-E12 WeakPolarHBondContact CB-OE2 3.29Å; S9-E12 PolarHBondContact N-OE2 3.3Å; S9-E12 PolarHBondContact O-N 2.91Å; S9-E12 WeakPolarHBondContact OG-CG 3.37Å; S9-E12 PolarHBondContact OG-N 3.04Å; S9-E12 PolarHBondContact OG-OE2 2.89Å; E12-Q14 VanDerWaalsContact C-N 3.3Å; E12-Q14 PolarHBondContact O-N 2.89Å; E12-E15 PolarHBondContact O-N 2.97Å; E12-H16 PolarHBondContact O-CD2 3.11Å; E12-H16 PolarHBondContact O-N 3.24Å
13	V	98.2	Very high	95.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-44.3	174.8	172.8	0	0	0	0	110.6	L8 S9 A10 E15 H16 L17 M110 D111 V114 I115 V306	L8-V13 HydrophobicContact CB-CG2 4.2Å; S9-V13 WeakPolarHBondContact O-CG2 3.36Å; S9-V13 PolarHBondContact O-N 3.31Å; A10-V13 PolarHBondContact O-N 3.42Å; V13-E15 PolarHBondContact O-N 2.95Å; V13-H16 PolarHBondContact O-N 2.99Å; V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.32Å; V13-L17 PolarHBondContact O-N 2.97Å; V13-M110 HydrophobicContact CG2-CB 4.07Å; V13-D111 HydrophobicContact CG2-CB 4.2Å; V13-V114 HydrophobicContact CG1-CB 3.85Å; V13-V114 HydrophobicContact CG1-CG1 3.92Å; V13-I115 HydrophobicContact CG1-CD1 4.36Å; V13-I115 HydrophobicContact CG1-CG1 3.87Å; V13-V306 HydrophobicContact CG1-CG2 4.21Å; V13-V306 HydrophobicContact CG2-CG1 4.3Å
14	Q	96.8	Very high	95.6	Very high	119 Å²	119	55.2 Å²	55.2	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-66.3	-35.5	177.6	-174.9	169.7	-8.7	0	0	112.7	A10 A11 E12 H16 L17 R18 V114	A10-Q14 WeakPolarHBondContact O-CB 3.42Å; A10-Q14 PolarHBondContact O-N 2.87Å; A11-Q14 PolarHBondContact O-N 2.97Å; E12-Q14 VanDerWaalsContact C-N 3.3Å; E12-Q14 PolarHBondContact O-N 2.89Å; Q14-H16 VanDerWaalsContact C-N 3.33Å; Q14-L17 CarbonylContact O-C 3.5Å; Q14-R18 PolarHBondContact O-N 2.98Å; Q14-V114 HydrophobicContact CB-CG1 4.3Å
15	E	96.7	Very high	95.8	Very high	105 Å²	105	54.5 Å²	54.5	49%	0.491	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-37.8	175.3	-179.6	174.3	-176.5	0	0	112.3	A11 E12 V13 R18	A11-E15 PolarHBondContact O-N 3.15Å; E12-E15 PolarHBondContact O-N 2.97Å; V13-E15 PolarHBondContact O-N 2.95Å; E15-R18 WeakPolarHBondContact O-CG 3.31Å; E15-R18 PolarHBondContact O-NE 3.19Å
16	H	97.3	Very high	95.9	Very high	48 Å²	48	54 Å²	54	22%	0.222	29%	0.288	C	S	.	.	H	α-helix	trans	-92.1	-11.6	-178.5	-70.3	-70.9	0	0	0	114	E12 V13 Q14 V306 S309 W310	E12-H16 PolarHBondContact O-CD2 3.11Å; E12-H16 PolarHBondContact O-N 3.24Å; V13-H16 PolarHBondContact O-N 2.99Å; Q14-H16 VanDerWaalsContact C-N 3.33Å; H16-V306 HydrophobicContact CB-CG1 4.26Å; H16-S309 PolarHBondContact ND1-OG 3.18Å; H16-W310 AromaticContact CD2-CD1 3.95Å; H16-W310 VanDerWaalsContact CE1-CA 3.48Å; H16-W310 WeakPolarHBondContact CE1-CA 3.31Å; H16-W310 AromaticContact NE2-CD1 3.63Å
17	L	95.6	Very high	95.9	Very high	5 Å²	5	53 Å²	53	3%	0.026	28%	0.28	C	S	.	.	S	Bend	trans	-127.2	61.9	176	-167.5	61.4	0	0	0	110.9	V13 Q14 L23 I115 K118 A302 V306	V13-L17 VanDerWaalsContact O-CB 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.32Å; V13-L17 PolarHBondContact O-N 2.97Å; Q14-L17 CarbonylContact O-C 3.5Å; L17-L23 HydrophobicContact CD1-CD1 4.32Å; L17-L23 HydrophobicContact CD1-CD2 3.68Å; L17-L23 HydrophobicContact CD1-CG 3.9Å; L17-L23 HydrophobicContact CD2-CD1 4.24Å; L17-I115 HydrophobicContact CD2-CG1 4.49Å; L17-K118 HydrophobicContact CD2-CB 4.34Å; L17-K118 HydrophobicContact CD2-CD 4.14Å; L17-K118 HydrophobicContact CG-CD 3.95Å; L17-K118 VanDerWaalsContact O-CD 3.26Å; L17-K118 WeakPolarHBondContact O-CD 3.47Å; L17-K118 WeakPolarHBondContact O-CE 3.28Å; L17-A302 HydrophobicContact CD2-CB 4.4Å; L17-V306 HydrophobicContact CB-CG2 3.75Å; L17-V306 HydrophobicContact CD2-CG2 4.08Å; L17-V306 HydrophobicContact CG-CG2 4.37Å
18	R	89.3	Confident	95.9	Very high	176 Å²	176	47.6 Å²	47.6	66%	0.664	26%	0.257	S	S	*	.			trans	-65	-46.9	-168.8	-59.9	-174.9	-178.6	-174.8	-3.7	113	Q14 E15 K118	Q14-R18 PolarHBondContact O-N 2.98Å; E15-R18 WeakPolarHBondContact O-CG 3.31Å; E15-R18 PolarHBondContact O-NE 3.19Å; R18-K118 PolarHBondContact O-NZ 2.79Å; R18-K118 VanDerWaalsContact O-NZ 3.1Å
19	S	87.9	Confident	95.9	Very high	22 Å²	22	50.6 Å²	50.6	15%	0.154	28%	0.276	C	S	.	.			trans	-116.1	135.2	176.5	-180	0	0	0	0	111.2	S21 L22 E157	S19-S21 PolarHBondContact O-N 2.69Å; S19-S21 PolarHBondContact OG-N 2.61Å; S19-S21 PolarHBondContact OG-OG 2.98Å; S19-L22 PolarHBondContact O-N 3.25Å; S19-E157 PolarHBondContact OG-OE1 2.96Å; S19-E157 PolarHBondContact OG-OE2 3.24Å
20	S	87.8	Confident	95.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-69.3	-20.3	170.8	46.4	0	0	0	0	112	L22 L23 I154	S20-L22 PolarHBondContact O-N 2.89Å; S20-L23 VanDerWaalsContact O-CB 3.29Å; S20-L23 WeakPolarHBondContact O-CB 3.49Å; S20-L23 PolarHBondContact O-N 3.33Å; S20-I154 WeakPolarHBondContact OG-CB 3.39Å; S20-I154 WeakPolarHBondContact OG-CD1 3.49Å; S20-I154 WeakPolarHBondContact OG-CG1 3.3Å
21	S	90.4	Very high	96	Very high	24 Å²	24	46.4 Å²	46.4	17%	0.168	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.9	-29.1	174.6	68.1	0	0	0	0	112.7	S19 L23 I24 E157	S19-S21 PolarHBondContact O-N 2.69Å; S19-S21 PolarHBondContact OG-N 2.61Å; S19-S21 PolarHBondContact OG-OG 2.98Å; S21-L23 PolarHBondContact O-N 2.7Å; S21-I24 WeakPolarHBondContact O-CB 3.33Å; S21-I24 PolarHBondContact O-N 2.95Å; S21-I24 VanDerWaalsContact O-N 3.08Å; S21-E157 VanDerWaalsContact CB-OE1 3.26Å; S21-E157 WeakPolarHBondContact CB-OE1 3.32Å; S21-E157 PolarHBondContact OG-OE1 3.29Å
22	L	93.4	Very high	96.1	Very high	118 Å²	118	43.7 Å²	43.7	62%	0.618	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-65	-21.3	173.1	-61.7	176.1	0	0	0	112.9	S19 S20 P26	S19-L22 PolarHBondContact O-N 3.25Å; S20-L22 PolarHBondContact O-N 2.89Å; L22-P26 WeakPolarHBondContact O-CD 3.38Å
23	L	97.6	Very high	96.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-78.9	-18.9	175.1	-65.6	175.2	0	0	0	112.8	L17 S20 S21 P26 L27 K118 R119 A122 A302 L305	L17-L23 HydrophobicContact CD1-CD1 4.32Å; L17-L23 HydrophobicContact CD1-CD2 3.68Å; L17-L23 HydrophobicContact CD1-CG 3.9Å; L17-L23 HydrophobicContact CD2-CD1 4.24Å; S20-L23 VanDerWaalsContact O-CB 3.29Å; S20-L23 WeakPolarHBondContact O-CB 3.49Å; S20-L23 PolarHBondContact O-N 3.33Å; S21-L23 PolarHBondContact O-N 2.7Å; L23-P26 VanDerWaalsContact O-CD 3.25Å; L23-P26 WeakPolarHBondContact O-CD 3.39Å; L23-P26 WeakPolarHBondContact O-CG 3.44Å; L23-L27 HydrophobicContact CB-CD1 3.61Å; L23-L27 HydrophobicContact CB-CG 4.13Å; L23-L27 HydrophobicContact CD1-CD1 4.46Å; L23-L27 WeakPolarHBondContact O-CB 3.5Å; L23-L27 WeakPolarHBondContact O-CD1 3.46Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.43Å; L23-K118 HydrophobicContact CD1-CB 3.93Å; L23-R119 HydrophobicContact CD1-CB 4.3Å; L23-A122 HydrophobicContact CB-CB 4.04Å; L23-A122 HydrophobicContact CD1-CB 4.47Å; L23-A302 HydrophobicContact CD1-CB 4.42Å; L23-A302 HydrophobicContact CD2-CB 3.88Å; L23-L305 HydrophobicContact CD2-CD1 3.66Å
24	I	98.4	Very high	96.1	Very high	14 Å²	14	43.4 Å²	43.4	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-56.4	-171.2	-70	173.5	0	0	0	111.7	S21 L27 E28 A122 I126 I154 Q158	S21-I24 WeakPolarHBondContact O-CB 3.33Å; S21-I24 PolarHBondContact O-N 2.95Å; S21-I24 VanDerWaalsContact O-N 3.08Å; I24-L27 PolarHBondContact O-N 3.48Å; I24-E28 HydrophobicContact CG2-CG 4.35Å; I24-E28 WeakPolarHBondContact O-CG 3.39Å; I24-E28 PolarHBondContact O-N 2.89Å; I24-A122 HydrophobicContact CG1-CB 4.4Å; I24-I126 HydrophobicContact CB-CG1 4.48Å; I24-I126 HydrophobicContact CG1-CG1 4.41Å; I24-I126 HydrophobicContact CG2-CD1 4.38Å; I24-I126 HydrophobicContact CG2-CG1 3.89Å; I24-I154 HydrophobicContact CD1-CD1 3.96Å; I24-I154 HydrophobicContact CG1-CD1 4.22Å; I24-Q158 HydrophobicContact CD1-CG 3.92Å
25	P	98.4	Very high	96.2	Very high	75 Å²	75	38.9 Å²	38.9	49%	0.487	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-46.4	-177.8	-21.2	32.4	0	0	0	115.1	L27 E28 T29	P25-L27 VanDerWaalsContact C-N 3.34Å; P25-E28 PolarHBondContact O-N 2.66Å; P25-T29 PolarHBondContact O-N 2.8Å; P25-T29 VanDerWaalsContact O-N 3.12Å; P25-T29 PolarHBondContact O-OG1 2.87Å; P25-T29 VanDerWaalsContact O-OG1 3.05Å
26	P	98.4	Very high	96.3	Very high	25 Å²	25	40.3 Å²	40.3	16%	0.162	20%	0.203	C	C	.	.	H	α-helix	trans	-72.2	-28.4	178.9	29	-34.9	0	0	0	112.3	L22 L23 T29 A30 V301 L305	L22-P26 WeakPolarHBondContact O-CD 3.38Å; L23-P26 VanDerWaalsContact O-CD 3.25Å; L23-P26 WeakPolarHBondContact O-CD 3.39Å; L23-P26 WeakPolarHBondContact O-CG 3.44Å; P26-T29 PolarHBondContact O-N 3.37Å; P26-A30 WeakPolarHBondContact O-CB 3.36Å; P26-A30 PolarHBondContact O-N 2.76Å; P26-V301 HydrophobicContact CB-CG1 3.62Å; P26-V301 HydrophobicContact CG-CG1 3.89Å; P26-L305 HydrophobicContact CG-CD1 3.79Å
27	L	98.9	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.1	-41.9	170.6	-73.5	173.6	0	0	0	112.3	L23 I24 P25 T29 A30 L31 A122 V123 I126 E298 V301	L23-L27 HydrophobicContact CB-CD1 3.61Å; L23-L27 HydrophobicContact CB-CG 4.13Å; L23-L27 HydrophobicContact CD1-CD1 4.46Å; L23-L27 WeakPolarHBondContact O-CB 3.5Å; L23-L27 WeakPolarHBondContact O-CD1 3.46Å; L23-L27 WeakPolarHBondContact O-CG 3.33Å; L23-L27 PolarHBondContact O-N 3.43Å; I24-L27 PolarHBondContact O-N 3.48Å; P25-L27 VanDerWaalsContact C-N 3.34Å; L27-T29 PolarHBondContact O-N 2.99Å; L27-A30 PolarHBondContact O-N 3.03Å; L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 WeakPolarHBondContact O-CG 3.01Å; L27-L31 PolarHBondContact O-N 3.09Å; L27-A122 HydrophobicContact CD1-CB 3.52Å; L27-V123 HydrophobicContact CD1-CG2 4.04Å; L27-V123 HydrophobicContact CD2-CG2 4.43Å; L27-I126 HydrophobicContact CB-CD1 3.68Å; L27-E298 HydrophobicContact CD2-CB 3.81Å; L27-E298 HydrophobicContact CD2-CG 4.14Å; L27-V301 HydrophobicContact CD2-CB 4.28Å; L27-V301 HydrophobicContact CD2-CG1 4.35Å
28	E	98.8	Very high	96.4	Very high	35 Å²	35	45.1 Å²	45.1	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-54.8	-43.8	172.7	-77.1	-178.8	155.7	0	0	110.4	I24 P25 A32 I126 K129 V276	I24-E28 HydrophobicContact CG2-CG 4.35Å; I24-E28 WeakPolarHBondContact O-CG 3.39Å; I24-E28 PolarHBondContact O-N 2.89Å; P25-E28 PolarHBondContact O-N 2.66Å; E28-A32 WeakPolarHBondContact O-CB 3.32Å; E28-A32 PolarHBondContact O-N 3.25Å; E28-I126 HydrophobicContact CG-CD1 3.73Å; E28-I126 HydrophobicContact CG-CG1 3.81Å; E28-I126 HydrophobicContact CG-CG2 3.84Å; E28-K129 IonicContact OE1-NZ 2.75Å; E28-K129 PolarHBondContact OE1-NZ 2.74Å; E28-K129 IonicContact OE2-NZ 2.82Å; E28-V276 HydrophobicContact CB-CG1 3.88Å; E28-V276 HydrophobicContact CG-CG1 4.31Å; E28-V276 WeakPolarHBondContact O-CG1 3.44Å
29	T	98.7	Very high	96.8	Very high	69 Å²	69	43.3 Å²	43.3	42%	0.423	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-47.4	176.7	-57.2	0	0	0	0	112	P25 P26 L27 A32 N33	P25-T29 PolarHBondContact O-N 2.8Å; P25-T29 VanDerWaalsContact O-N 3.12Å; P25-T29 PolarHBondContact O-OG1 2.87Å; P25-T29 VanDerWaalsContact O-OG1 3.05Å; P26-T29 PolarHBondContact O-N 3.37Å; L27-T29 PolarHBondContact O-N 2.99Å; T29-A32 PolarHBondContact O-N 3.1Å; T29-N33 WeakPolarHBondContact O-CB 3.07Å; T29-N33 VanDerWaalsContact O-CG 3.3Å; T29-N33 PolarHBondContact O-N 2.76Å; T29-N33 PolarHBondContact O-ND2 3.42Å
30	A	98.8	Very high	97.2	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-40.6	179.2	0	0	0	0	0	113	P26 L27 N33 F34 V297 V301	P26-A30 WeakPolarHBondContact O-CB 3.36Å; P26-A30 PolarHBondContact O-N 2.76Å; L27-A30 PolarHBondContact O-N 3.03Å; A30-N33 PolarHBondContact O-N 3.28Å; A30-F34 WeakPolarHBondContact O-CB 3.5Å; A30-F34 PolarHBondContact O-N 3.26Å; A30-V297 HydrophobicContact CB-CG2 3.96Å; A30-V301 HydrophobicContact CB-CG2 3.66Å
31	L	98.9	Very high	97.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-49.9	174.8	-68.9	168.1	0	0	0	110.7	L27 N33 F34 S35 V123 I126 L272 G273 M295	L27-L31 WeakPolarHBondContact O-CB 3.19Å; L27-L31 WeakPolarHBondContact O-CG 3.01Å; L27-L31 PolarHBondContact O-N 3.09Å; L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 3.08Å; L31-F34 PolarHBondContact O-N 2.82Å; L31-S35 PolarHBondContact O-N 3.34Å; L31-S35 VanDerWaalsContact O-N 3.08Å; L31-V123 HydrophobicContact CD1-CG1 4.36Å; L31-V123 HydrophobicContact CD1-CG2 4.48Å; L31-I126 HydrophobicContact CD1-CD1 4.05Å; L31-I126 HydrophobicContact CD1-CG2 4.22Å; L31-L272 HydrophobicContact CD1-CD2 3.84Å; L31-L272 HydrophobicContact CD1-CG 4.29Å; L31-G273 WeakPolarHBondContact O-CA 3.33Å; L31-M295 HydrophobicContact CD2-CE 3.35Å
32	A	98.8	Very high	98.1	Very high	13 Å²	13	43.2 Å²	43.2	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-44.5	177.8	0	0	0	0	0	111.9	E28 T29 S35 R36 V276	E28-A32 WeakPolarHBondContact O-CB 3.32Å; E28-A32 PolarHBondContact O-N 3.25Å; T29-A32 PolarHBondContact O-N 3.1Å; A32-S35 PolarHBondContact O-N 3.08Å; A32-R36 VanDerWaalsContact O-CG 3.28Å; A32-R36 WeakPolarHBondContact O-CG 3.33Å; A32-R36 PolarHBondContact O-N 2.82Å; A32-R36 VanDerWaalsContact O-N 3.15Å; A32-V276 HydrophobicContact CB-CG1 4.13Å
33	N	98.8	Very high	98.4	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.123	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-42.7	177.5	-76.7	-17.8	0	0	0	112	T29 A30 L31 S35 R36 G40 V42	T29-N33 WeakPolarHBondContact O-CB 3.07Å; T29-N33 VanDerWaalsContact O-CG 3.3Å; T29-N33 PolarHBondContact O-N 2.76Å; T29-N33 PolarHBondContact O-ND2 3.42Å; A30-N33 PolarHBondContact O-N 3.28Å; L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 3.08Å; N33-S35 PolarHBondContact O-N 3.28Å; N33-R36 PolarHBondContact O-N 3.42Å; N33-G40 WeakPolarHBondContact CB-O 3.24Å; N33-G40 WeakPolarHBondContact O-CA 3.37Å; N33-V42 HydrophobicContact CB-CG2 3.92Å
34	F	98.8	Very high	98.4	Very high	34 Å²	34	45.2 Å²	45.2	15%	0.149	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-50.2	175.6	173.5	-97.7	0	0	0	111.7	A30 L31 R36 G37 V42 Q44 M295	A30-F34 WeakPolarHBondContact O-CB 3.5Å; A30-F34 PolarHBondContact O-N 3.26Å; L31-F34 PolarHBondContact O-N 2.82Å; F34-R36 PolarHBondContact O-N 2.84Å; F34-G37 PolarHBondContact O-N 3.02Å; F34-G37 VanDerWaalsContact O-N 3.15Å; F34-V42 HydrophobicContact CB-CG1 4.46Å; F34-V42 HydrophobicContact CD2-CG1 4.04Å; F34-Q44 HydrophobicContact CD2-CB 4.43Å; F34-Q44 HydrophobicContact CE2-CB 4.2Å; F34-Q44 HydrophobicContact CE2-CG 4.47Å; F34-Q44 VanDerWaalsContact CE2-NE2 3.27Å; F34-M295 HydrophobicContact CD1-CE 4.02Å; F34-M295 HydrophobicContact CD1-SD 3.68Å; F34-M295 HydrophobicContact CD2-SD 4.41Å; F34-M295 HydrophobicContact CE1-CE 4.47Å; F34-M295 HydrophobicContact CE1-SD 3.57Å; F34-M295 VanDerWaalsContact CE1-SD 3.57Å; F34-M295 HydrophobicContact CE2-SD 4.32Å; F34-M295 HydrophobicContact CG-CE 4.35Å; F34-M295 HydrophobicContact CG-SD 4.12Å; F34-M295 HydrophobicContact CZ-SD 3.91Å
35	S	98.7	Very high	98.4	Very high	25 Å²	25	48.2 Å²	48.2	18%	0.175	28%	0.279	C	S	.	.	H	α-helix	trans	-72.4	-11.2	-178.6	-65.5	0	0	0	0	114.6	L31 A32 N33 G37 E271 G273	L31-S35 PolarHBondContact O-N 3.34Å; L31-S35 VanDerWaalsContact O-N 3.08Å; A32-S35 PolarHBondContact O-N 3.08Å; N33-S35 PolarHBondContact O-N 3.28Å; S35-G37 PolarHBondContact O-N 3.31Å; S35-E271 WeakPolarHBondContact CB-OE2 3.38Å; S35-E271 VanDerWaalsContact OG-CB 3.31Å; S35-E271 WeakPolarHBondContact OG-CB 3.26Å; S35-E271 PolarHBondContact OG-OE2 3.37Å; S35-G273 WeakPolarHBondContact OG-CA 3.27Å
36	R	98.2	Very high	98.3	Very high	135 Å²	135	46 Å²	46	51%	0.509	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.8	171.4	-77.6	176	65.3	-167.8	-2.2	113.3	A32 N33 F34	A32-R36 VanDerWaalsContact O-CG 3.28Å; A32-R36 WeakPolarHBondContact O-CG 3.33Å; A32-R36 PolarHBondContact O-N 2.82Å; A32-R36 VanDerWaalsContact O-N 3.15Å; N33-R36 PolarHBondContact O-N 3.42Å; F34-R36 PolarHBondContact O-N 2.84Å
37	G	97.4	Very high	98.3	Very high	31 Å²	31	46.2 Å²	46.2	32%	0.32	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	66.9	-143.7	180	0	0	0	0	0	111.9	F34 S35 D39 G40	F34-G37 PolarHBondContact O-N 3.02Å; F34-G37 VanDerWaalsContact O-N 3.15Å; S35-G37 PolarHBondContact O-N 3.31Å; G37-D39 PolarHBondContact O-N 3.42Å; G37-D39 VanDerWaalsContact O-N 3.13Å; G37-G40 PolarHBondContact O-N 2.94Å
38	P	97.1	Very high	98.2	Very high	123 Å²	123	50.1 Å²	50.1	80%	0.799	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-53.5	-37.3	-174.7	-28.1	35.8	0	0	0	114.4	G40 G41	P38-G40 PolarHBondContact O-N 2.84Å; P38-G41 PolarHBondContact O-N 3.33Å; P38-G41 VanDerWaalsContact O-N 3.15Å
39	D	97.6	Very high	98.1	Very high	138 Å²	138	50.6 Å²	50.6	74%	0.738	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-71.5	-15.3	-177.9	-66.4	-27.4	0	0	0	113.7	G37 G41	G37-D39 PolarHBondContact O-N 3.42Å; G37-D39 VanDerWaalsContact O-N 3.13Å; D39-G41 VanDerWaalsContact C-N 3.32Å
40	G	98.2	Very high	98.1	Very high	5 Å²	5	50.7 Å²	50.7	5%	0.052	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-82.3	-10.4	173.4	0	0	0	0	0	113.9	N33 G37 P38 V42	N33-G40 WeakPolarHBondContact CB-O 3.24Å; N33-G40 WeakPolarHBondContact O-CA 3.37Å; G37-G40 PolarHBondContact O-N 2.94Å; P38-G40 PolarHBondContact O-N 2.84Å; G40-V42 VanDerWaalsContact C-N 3.26Å; G40-V42 PolarHBondContact O-N 3.16Å
41	G	98.3	Very high	97.9	Very high	22 Å²	22	54.6 Å²	54.6	23%	0.227	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	19.1	174.8	0	0	0	0	0	114.9	P38 D39 A67	P38-G41 PolarHBondContact O-N 3.33Å; P38-G41 VanDerWaalsContact O-N 3.15Å; D39-G41 VanDerWaalsContact C-N 3.32Å; G41-A67 WeakPolarHBondContact O-CB 3.48Å; G41-A67 PolarHBondContact O-N 2.6Å
42	V	98.8	Very high	97.7	Very high	16 Å²	16	56.6 Å²	56.6	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.6	174.4	179.9	0	0	0	0	109.4	N33 F34 G40 Q44 V297	N33-V42 HydrophobicContact CB-CG2 3.92Å; F34-V42 HydrophobicContact CB-CG1 4.46Å; F34-V42 HydrophobicContact CD2-CG1 4.04Å; G40-V42 VanDerWaalsContact C-N 3.26Å; G40-V42 PolarHBondContact O-N 3.16Å; V42-Q44 HydrophobicContact CG1-CB 4.12Å; V42-V297 HydrophobicContact CG1-CB 4.01Å; V42-V297 HydrophobicContact CG1-CG2 3.78Å; V42-V297 HydrophobicContact CG2-CG2 4.13Å
43	M	98.8	Very high	97.4	Very high	129 Å²	129	59.9 Å²	59.9	64%	0.635	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	100.1	172.4	-60	-60.3	-67.9	0	0	108.7	A64 Y65	M43-A64 WeakPolarHBondContact O-CA 3.47Å; M43-Y65 HydrophobicContact CG-CD1 4.35Å; M43-Y65 PolarHBondContact N-O 2.82Å; M43-Y65 PolarHBondContact O-N 2.89Å
44	Q	98.6	Very high	97.2	Very high	32 Å²	32	67.7 Å²	67.7	15%	0.15	39%	0.388	C	S	.	.			trans	-132.5	106.5	-179.8	177	177	-81.5	0	0	109.6	F34 V42 A296	F34-Q44 HydrophobicContact CD2-CB 4.43Å; F34-Q44 HydrophobicContact CE2-CB 4.2Å; F34-Q44 HydrophobicContact CE2-CG 4.47Å; F34-Q44 VanDerWaalsContact CE2-NE2 3.27Å; V42-Q44 HydrophobicContact CG1-CB 4.12Å; Q44-A296 HydrophobicContact CG-CB 4.16Å
45	P	97.9	Very high	96.9	Very high	76 Å²	76	71.4 Å²	71.4	49%	0.494	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-69.3	150.9	165.7	31.5	-34.4	0	0	0	109.8	R47 P63	P45-R47 PolarHBondContact O-N 2.99Å; P45-P63 HydrophobicContact CG-CG 3.74Å
46	V	96.6	Very high	96.4	Very high	30 Å²	30	77.3 Å²	77.3	18%	0.182	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-55.9	142.5	169.9	66.8	0	0	0	0	110.3	T48 E252 A253 K256	V46-T48 PolarHBondContact O-N 2.91Å; V46-E252 HydrophobicContact CB-CG 4.17Å; V46-E252 WeakPolarHBondContact CG1-OE1 3.42Å; V46-E252 HydrophobicContact CG2-CG 4.44Å; V46-A253 HydrophobicContact CG2-CB 4.44Å; V46-K256 HydrophobicContact CG1-CD 4.07Å; V46-K256 HydrophobicContact CG2-CD 3.62Å
47	R	97.4	Very high	96.1	Very high	28 Å²	28	71 Å²	71	11%	0.106	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-50.2	138.8	-179.9	178	-171.8	-41.9	-164	3.9	111.5	P45 V49 M62 K256 E257 L293 G294	P45-R47 PolarHBondContact O-N 2.99Å; R47-V49 HydrophobicContact CG-CG2 4Å; R47-M62 HydrophobicContact CB-CG 4.15Å; R47-M62 HydrophobicContact CG-CG 3.73Å; R47-M62 PolarHBondContact NE-SD 3.5Å; R47-K256 PolarHBondContact O-NZ 2.98Å; R47-E257 WeakPolarHBondContact CB-OE1 3.4Å; R47-E257 WeakPolarHBondContact CD-OE1 3.38Å; R47-E257 IonicContact NE-OE1 3.69Å; R47-E257 IonicContact NE-OE2 3.52Å; R47-L293 PolarHBondContact NH2-O 2.63Å; R47-G294 PolarHBondContact NH2-O 3.32Å
48	T	97.7	Very high	96	Very high	83 Å²	83	70.3 Å²	70.3	51%	0.509	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.7	169	-63.8	0	0	0	0	108.8	V46 G60 V61	V46-T48 PolarHBondContact O-N 2.91Å; T48-G60 CarbonylContact O-C 3.45Å; T48-G60 WeakPolarHBondContact O-CA 3.34Å; T48-V61 PolarHBondContact N-O 3.1Å; T48-V61 PolarHBondContact O-N 3.21Å
49	V	96.5	Very high	96	Very high	44 Å²	44	67 Å²	67	27%	0.267	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	178	-177.9	0	0	0	0	109.7	R47 F58 L59	R47-V49 HydrophobicContact CG-CG2 4Å; V49-F58 HydrophobicContact CG1-CB 4.04Å; V49-F58 HydrophobicContact CG1-CD1 4.04Å; V49-F58 HydrophobicContact CG1-CG 4.47Å; V49-L59 CarbonylContact C-O 3.58Å; V49-L59 WeakPolarHBondContact CA-O 3.32Å
50	V	97.4	Very high	96	Very high	72 Å²	72	60.5 Å²	60.5	44%	0.436	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.7	172.7	-177.7	0	0	0	0	108.4	F58 L59	V50-F58 WeakPolarHBondContact O-CA 3.46Å; V50-L59 HydrophobicContact CB-CB 4.33Å; V50-L59 PolarHBondContact N-O 3.03Å; V50-L59 PolarHBondContact O-N 3.47Å
51	P	94.6	Very high	96.1	Very high	85 Å²	85	62.2 Å²	62.2	55%	0.552	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	130.3	174.7	29	-32.4	0	0	0	110.5	F58	P51-F58 HydrophobicContact CB-CD1 4.14Å; P51-F58 HydrophobicContact CB-CE1 4.14Å
52	V	95.7	Very high	96.1	Very high	44 Å²	44	61.3 Å²	61.3	27%	0.267	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	61.7	174.4	-167	0	0	0	0	108	K54 H55 R56 G57	V52-K54 VanDerWaalsContact C-N 3.29Å; V52-K54 PolarHBondContact O-N 3.26Å; V52-K54 VanDerWaalsContact O-N 3.13Å; V52-H55 HydrophobicContact CG1-CB 4.25Å; V52-H55 CarbonylContact O-C 3.6Å; V52-H55 PolarHBondContact O-N 3.28Å; V52-R56 PolarHBondContact O-N 2.93Å; V52-G57 CarbonylContact C-O 3.59Å; V52-G57 WeakPolarHBondContact CA-O 3.21Å; V52-G57 WeakPolarHBondContact CB-O 3.4Å; V52-G57 PolarHBondContact N-O 3.4Å; V52-G57 PolarHBondContact O-N 3.16Å
53	A	92.7	Very high	96.1	Very high	82 Å²	82	62.4 Å²	62.4	68%	0.678	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-53.6	-40.9	-164.6	0	0	0	0	0	113.9	H55 R56	A53-H55 PolarHBondContact O-N 2.89Å; A53-R56 PolarHBondContact O-N 2.79Å
54	K	94.4	Very high	96.1	Very high	188 Å²	188	56.4 Å²	56.4	82%	0.817	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-53.8	-31.2	177.6	-178	179.2	177.6	-175.1	0	113.1	V52	V52-K54 VanDerWaalsContact C-N 3.29Å; V52-K54 PolarHBondContact O-N 3.26Å; V52-K54 VanDerWaalsContact O-N 3.13Å
55	H	91.3	Very high	96.1	Very high	112 Å²	112	58.3 Å²	58.3	52%	0.519	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-112.5	9.9	-176.6	-61.2	-74.5	0	0	0	112.9	V52 A53 G57 Y80	V52-H55 HydrophobicContact CG1-CB 4.25Å; V52-H55 CarbonylContact O-C 3.6Å; V52-H55 PolarHBondContact O-N 3.28Å; A53-H55 PolarHBondContact O-N 2.89Å; H55-G57 PolarHBondContact O-N 3.49Å; H55-Y80 HydrophobicContact CB-CD1 4.37Å; H55-Y80 HydrophobicContact CB-CE1 3.69Å; H55-Y80 VanDerWaalsContact O-CD1 3.29Å; H55-Y80 WeakPolarHBondContact O-CD1 3.15Å
56	R	90	Very high	96.1	Very high	149 Å²	149	54.8 Å²	54.8	56%	0.562	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	38.8	-176.8	-54.6	179.4	61.2	-175.1	1.3	112.8	V52 A53 E81	V52-R56 PolarHBondContact O-N 2.93Å; A53-R56 PolarHBondContact O-N 2.79Å; R56-E81 HydrophobicContact CB-CB 4.2Å; R56-E81 IonicContact CZ-OE2 3.28Å; R56-E81 VanDerWaalsContact CZ-OE2 3.28Å; R56-E81 IonicContact NE-OE2 3.03Å; R56-E81 PolarHBondContact NE-OE2 3.15Å; R56-E81 IonicContact NH2-OE2 2.71Å; R56-E81 PolarHBondContact NH2-OE2 2.67Å; R56-E81 PolarHBondContact O-N 2.92Å
57	G	91.8	Very high	96.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	170.1	-178.4	0	0	0	0	0	112.5	V52 H55 F79 Y80	V52-G57 CarbonylContact C-O 3.59Å; V52-G57 WeakPolarHBondContact CA-O 3.21Å; V52-G57 WeakPolarHBondContact CB-O 3.4Å; V52-G57 PolarHBondContact N-O 3.4Å; V52-G57 PolarHBondContact O-N 3.16Å; H55-G57 PolarHBondContact O-N 3.49Å; G57-F79 CarbonylContact C-O 3.49Å; G57-F79 VanDerWaalsContact CA-O 3.3Å; G57-F79 WeakPolarHBondContact CA-O 3.27Å; G57-Y80 VanDerWaalsContact CA-CD1 3.45Å
58	F	94.3	Very high	96.2	Very high	18 Å²	18	57.6 Å²	57.6	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.3	178.4	-57.7	-86.6	0	0	0	109.2	V49 V50 P51 T78 F79 E81	V49-F58 HydrophobicContact CG1-CB 4.04Å; V49-F58 HydrophobicContact CG1-CD1 4.04Å; V49-F58 HydrophobicContact CG1-CG 4.47Å; V50-F58 WeakPolarHBondContact O-CA 3.46Å; P51-F58 HydrophobicContact CB-CD1 4.14Å; P51-F58 HydrophobicContact CB-CE1 4.14Å; F58-T78 WeakPolarHBondContact O-CA 3.45Å; F58-F79 HydrophobicContact CB-CD1 3.86Å; F58-F79 HydrophobicContact CB-CD2 4.28Å; F58-F79 HydrophobicContact CB-CE1 3.38Å; F58-F79 HydrophobicContact CB-CE2 3.86Å; F58-F79 HydrophobicContact CB-CG 4.29Å; F58-F79 HydrophobicContact CB-CZ 3.38Å; F58-F79 HydrophobicContact CD1-CZ 4.32Å; F58-F79 AromaticContact CD2-CD2 3.61Å; F58-F79 HydrophobicContact CD2-CD2 3.61Å; F58-F79 HydrophobicContact CD2-CE1 4.26Å; F58-F79 AromaticContact CD2-CE2 3.07Å; F58-F79 HydrophobicContact CD2-CE2 3.07Å; F58-F79 HydrophobicContact CD2-CG 4.39Å; F58-F79 AromaticContact CD2-CZ 3.47Å; F58-F79 HydrophobicContact CD2-CZ 3.47Å; F58-F79 VanDerWaalsContact CD2-CZ 3.47Å; F58-F79 HydrophobicContact CE2-CD2 4.39Å; F58-F79 AromaticContact CE2-CE2 3.72Å; F58-F79 HydrophobicContact CE2-CE2 3.72Å; F58-F79 HydrophobicContact CE2-CZ 4.3Å; F58-F79 HydrophobicContact CG-CD2 4.31Å; F58-F79 HydrophobicContact CG-CE1 4.02Å; F58-F79 AromaticContact CG-CE2 3.62Å; F58-F79 HydrophobicContact CG-CE2 3.62Å; F58-F79 AromaticContact CG-CZ 3.45Å; F58-F79 HydrophobicContact CG-CZ 3.45Å; F58-F79 VanDerWaalsContact CG-CZ 3.45Å; F58-F79 PolarHBondContact N-O 2.75Å; F58-F79 PolarHBondContact O-N 2.75Å; F58-E81 HydrophobicContact CE2-CG 4.47Å
59	L	97.7	Very high	96.1	Very high	53 Å²	53	56.6 Å²	56.6	28%	0.277	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115.9	168.8	168.8	65.2	0	0	0	108.6	V49 V50 V61 L76 V77 T78	V49-L59 CarbonylContact C-O 3.58Å; V49-L59 WeakPolarHBondContact CA-O 3.32Å; V50-L59 HydrophobicContact CB-CB 4.33Å; V50-L59 PolarHBondContact N-O 3.03Å; V50-L59 PolarHBondContact O-N 3.47Å; L59-V61 HydrophobicContact CG-CG2 4.48Å; L59-L76 HydrophobicContact CD1-CB 4.41Å; L59-V77 CarbonylContact C-O 3.57Å; L59-V77 WeakPolarHBondContact CA-O 3.2Å; L59-T78 HydrophobicContact CB-CG2 4.44Å; L59-T78 HydrophobicContact CD1-CG2 3.87Å
60	G	97.9	Very high	96.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.4	170.5	0	0	0	0	0	111.6	T48 L76 V77	T48-G60 CarbonylContact O-C 3.45Å; T48-G60 WeakPolarHBondContact O-CA 3.34Å; G60-L76 WeakPolarHBondContact O-CA 3.48Å; G60-V77 PolarHBondContact N-O 2.73Å; G60-V77 PolarHBondContact O-N 3.13Å
61	V	98.7	Very high	96.2	Very high	42 Å²	42	55.4 Å²	55.4	26%	0.255	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.6	172.4	-172.6	0	0	0	0	108.4	T48 L59 T74	T48-V61 PolarHBondContact N-O 3.1Å; T48-V61 PolarHBondContact O-N 3.21Å; L59-V61 HydrophobicContact CG-CG2 4.48Å; V61-T74 HydrophobicContact CG1-CG2 3.8Å
62	M	98.8	Very high	96.4	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.015	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	80.4	-170.8	-67.3	176.4	67.7	0	0	109.6	R47 K75 V77 G294 A296	R47-M62 HydrophobicContact CB-CG 4.15Å; R47-M62 HydrophobicContact CG-CG 3.73Å; R47-M62 PolarHBondContact NE-SD 3.5Å; M62-K75 HydrophobicContact CB-CB 4.2Å; M62-K75 PolarHBondContact N-O 3.46Å; M62-K75 PolarHBondContact O-N 2.91Å; M62-K75 WeakPolarHBondContact SD-CE 3.41Å; M62-V77 HydrophobicContact SD-CG1 4.29Å; M62-G294 VanDerWaalsContact CE-O 3.29Å; M62-G294 WeakPolarHBondContact CE-O 3.3Å; M62-A296 HydrophobicContact CB-CB 3.84Å; M62-A296 WeakPolarHBondContact O-CB 3.29Å
63	P	98.8	Very high	96.6	Very high	39 Å²	39	51.8 Å²	51.8	25%	0.253	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	146.4	175.1	34.8	-31.5	0	0	0	111.4	P45 T73 T74 A296	P45-P63 HydrophobicContact CG-CG 3.74Å; P63-T73 WeakPolarHBondContact CA-O 3.46Å; P63-T74 HydrophobicContact CB-CG2 4.24Å; P63-A296 WeakPolarHBondContact O-CB 3.39Å
64	A	98.9	Very high	96.9	Very high	3 Å²	3	49.2 Å²	49.2	3%	0.025	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	148.3	170	0	0	0	0	0	111.5	M43 T73 A296 L300	M43-A64 WeakPolarHBondContact O-CA 3.47Å; A64-T73 PolarHBondContact N-O 2.9Å; A64-T73 PolarHBondContact O-N 3.25Å; A64-A296 HydrophobicContact CB-CB 3.64Å; A64-L300 HydrophobicContact CB-CD1 3.9Å
65	Y	98.9	Very high	97.1	Very high	71 Å²	71	40.4 Å²	40.4	28%	0.278	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.5	161.3	173.7	-110	0	0	0	109.3	M43 A67 D70 A71 L72 P101	M43-Y65 HydrophobicContact CG-CD1 4.35Å; M43-Y65 PolarHBondContact N-O 2.82Å; M43-Y65 PolarHBondContact O-N 2.89Å; Y65-A67 HydrophobicContact CE1-CB 3.94Å; Y65-D70 PolarHBondContact OH-OD1 3.28Å; Y65-A71 WeakPolarHBondContact CA-O 3.34Å; Y65-A71 WeakPolarHBondContact CD2-O 3.3Å; Y65-L72 HydrophobicContact CD2-CB 4.12Å; Y65-P101 HydrophobicContact CE2-CB 3.88Å; Y65-P101 HydrophobicContact CE2-CG 4.27Å
66	S	98.7	Very high	97.5	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.3	171.8	177.4	0	0	0	0	108.7	A68 D70 A71	S66-A68 VanDerWaalsContact C-N 3.34Å; S66-D70 VanDerWaalsContact O-CA 3.26Å; S66-D70 WeakPolarHBondContact O-CA 3.45Å; S66-D70 PolarHBondContact O-N 2.84Å; S66-A71 PolarHBondContact N-O 2.68Å; S66-A71 PolarHBondContact O-N 2.84Å
67	A	98.4	Very high	97.8	Very high	52 Å²	52	31.4 Å²	31.4	43%	0.43	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-33.1	176.9	0	0	0	0	0	112.2	G41 Y65 E69 D70	G41-A67 WeakPolarHBondContact O-CB 3.48Å; G41-A67 PolarHBondContact O-N 2.6Å; Y65-A67 HydrophobicContact CE1-CB 3.94Å; A67-E69 VanDerWaalsContact C-N 3.28Å; A67-E69 PolarHBondContact O-N 3.34Å; A67-D70 PolarHBondContact O-N 3.4Å
68	A	96.6	Very high	98	Very high	65 Å²	65	33.2 Å²	33.2	54%	0.537	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-35.6	179.5	0	0	0	0	0	112.4	S66	S66-A68 VanDerWaalsContact C-N 3.34Å
69	E	95.6	Very high	97.8	Very high	62 Å²	62	32.7 Å²	32.7	29%	0.29	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-6.6	177.9	-66	-67.9	173.1	0	0	112.6	A67 A71 L300 K304	A67-E69 VanDerWaalsContact C-N 3.28Å; A67-E69 PolarHBondContact O-N 3.34Å; E69-A71 VanDerWaalsContact C-N 3.34Å; E69-A71 HydrophobicContact CB-CB 4.04Å; E69-A71 PolarHBondContact O-N 3.24Å; E69-L300 HydrophobicContact CB-CD2 4.38Å; E69-K304 HydrophobicContact CB-CD 4.07Å; E69-K304 WeakPolarHBondContact O-CD 3.5Å; E69-K304 WeakPolarHBondContact O-CE 3.25Å
70	D	98.3	Very high	97.4	Very high	87 Å²	87	32.6 Å²	32.6	47%	0.465	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	36.8	62.8	-163.5	-163.1	28.8	0	0	0	112.5	Y65 S66 A67 P101	Y65-D70 PolarHBondContact OH-OD1 3.28Å; S66-D70 VanDerWaalsContact O-CA 3.26Å; S66-D70 WeakPolarHBondContact O-CA 3.45Å; S66-D70 PolarHBondContact O-N 2.84Å; A67-D70 PolarHBondContact O-N 3.4Å; D70-P101 VanDerWaalsContact O-CG 3.3Å; D70-P101 WeakPolarHBondContact O-CG 3.35Å
71	A	98.8	Very high	96.6	Very high	4 Å²	4	35 Å²	35	3%	0.033	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	136.7	-173.3	0	0	0	0	0	111.2	Y65 S66 E69 L300 K304	Y65-A71 WeakPolarHBondContact CA-O 3.34Å; Y65-A71 WeakPolarHBondContact CD2-O 3.3Å; S66-A71 PolarHBondContact N-O 2.68Å; S66-A71 PolarHBondContact O-N 2.84Å; E69-A71 VanDerWaalsContact C-N 3.34Å; E69-A71 HydrophobicContact CB-CB 4.04Å; E69-A71 PolarHBondContact O-N 3.24Å; A71-L300 HydrophobicContact CB-CD1 4.25Å; A71-L300 HydrophobicContact CB-CD2 3.61Å; A71-L300 HydrophobicContact CB-CG 3.88Å; A71-L300 WeakPolarHBondContact O-CD1 3.22Å; A71-K304 HydrophobicContact CB-CB 4.43Å; A71-K304 HydrophobicContact CB-CD 3.68Å
72	L	98.9	Very high	95.3	Very high	53 Å²	53	34.7 Å²	34.7	28%	0.277	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.2	178.3	176.3	62	0	0	0	109.3	Y65 F99 P101	Y65-L72 HydrophobicContact CD2-CB 4.12Å; L72-F99 HydrophobicContact CB-CB 4.19Å; L72-F99 HydrophobicContact CD2-CB 3.86Å; L72-F99 HydrophobicContact CD2-CG 4.42Å; L72-F99 HydrophobicContact CG-CB 3.96Å; L72-F99 HydrophobicContact CG-CD2 4.3Å; L72-F99 HydrophobicContact CG-CG 4.43Å; L72-F99 PolarHBondContact O-N 2.81Å; L72-P101 HydrophobicContact CB-CB 4.47Å; L72-P101 HydrophobicContact CB-CG 4.22Å
73	T	98.9	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.8	-179.6	68.4	0	0	0	0	112.9	P63 A64 L97 L98 L300 A303	P63-T73 WeakPolarHBondContact CA-O 3.46Å; A64-T73 PolarHBondContact N-O 2.9Å; A64-T73 PolarHBondContact O-N 3.25Å; T73-L97 CarbonylContact C-O 3.16Å; T73-L97 WeakPolarHBondContact CA-O 3.31Å; T73-L97 WeakPolarHBondContact CB-O 3.25Å; T73-L98 HydrophobicContact CG2-CB 4.21Å; T73-L98 HydrophobicContact CG2-CD1 4.17Å; T73-L98 HydrophobicContact CG2-CG 4.07Å; T73-L300 HydrophobicContact CG2-CB 4.24Å; T73-L300 HydrophobicContact CG2-CG 4.13Å; T73-L300 WeakPolarHBondContact OG1-CA 3.44Å; T73-L300 VanDerWaalsContact OG1-CB 3.29Å; T73-L300 WeakPolarHBondContact OG1-CB 3.39Å; T73-A303 HydrophobicContact CG2-CB 4.22Å
74	T	98.9	Very high	92.2	Very high	28 Å²	28	38.2 Å²	38.2	17%	0.172	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	122.4	165	-59.1	0	0	0	0	109.6	V61 P63 L76 L97	V61-T74 HydrophobicContact CG1-CG2 3.8Å; P63-T74 HydrophobicContact CB-CG2 4.24Å; T74-L76 HydrophobicContact CG2-CD1 4.26Å; T74-L97 PolarHBondContact N-O 2.93Å; T74-L97 PolarHBondContact O-N 3.3Å
75	K	98.9	Very high	90.1	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.013	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	132.3	165	-176.9	177	71.3	-170.3	0	110.1	M62 A94 S95 V96 D299	M62-K75 HydrophobicContact CB-CB 4.2Å; M62-K75 PolarHBondContact N-O 3.46Å; M62-K75 PolarHBondContact O-N 2.91Å; M62-K75 WeakPolarHBondContact SD-CE 3.41Å; K75-A94 HydrophobicContact CD-CB 4.22Å; K75-A94 HydrophobicContact CG-CB 4.34Å; K75-S95 WeakPolarHBondContact CA-O 3.29Å; K75-V96 HydrophobicContact CB-CG2 4.07Å; K75-V96 HydrophobicContact CD-CG2 4.29Å; K75-V96 HydrophobicContact CG-CG2 3.99Å; K75-D299 HydrophobicContact CB-CB 4.34Å; K75-D299 HydrophobicContact CD-CB 4.35Å; K75-D299 WeakPolarHBondContact CD-OD1 3.32Å; K75-D299 WeakPolarHBondContact CD-OD2 3.42Å; K75-D299 WeakPolarHBondContact CE-OD2 3.38Å; K75-D299 IonicContact NZ-OD1 3.6Å; K75-D299 PolarHBondContact NZ-OD1 2.97Å; K75-D299 IonicContact NZ-OD2 2.76Å; K75-D299 PolarHBondContact NZ-OD2 2.84Å
76	L	98.8	Very high	88.1	Confident	64 Å²	64	45.6 Å²	45.6	34%	0.335	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.9	164	-60	94.4	0	0	0	107.4	L59 G60 T74 A94 S95 L97	L59-L76 HydrophobicContact CD1-CB 4.41Å; G60-L76 WeakPolarHBondContact O-CA 3.48Å; T74-L76 HydrophobicContact CG2-CD1 4.26Å; L76-A94 CarbonylContact O-C 3.6Å; L76-A94 WeakPolarHBondContact O-CA 3.33Å; L76-S95 PolarHBondContact N-O 2.91Å; L76-S95 PolarHBondContact O-N 3.01Å; L76-L97 HydrophobicContact CD1-CD1 3.58Å
77	V	97.9	Very high	86.3	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132	179.3	58.2	0	0	0	0	109.6	L59 G60 M62 Q93 A94	L59-V77 CarbonylContact C-O 3.57Å; L59-V77 WeakPolarHBondContact CA-O 3.2Å; G60-V77 PolarHBondContact N-O 2.73Å; G60-V77 PolarHBondContact O-N 3.13Å; M62-V77 HydrophobicContact SD-CG1 4.29Å; V77-Q93 CarbonylContact C-O 3.55Å; V77-Q93 WeakPolarHBondContact CA-O 3.45Å; V77-A94 HydrophobicContact CB-CB 4.14Å; V77-A94 HydrophobicContact CG2-CB 4.18Å
78	T	95.7	Very high	84.9	Confident	38 Å²	38	52.1 Å²	52.1	23%	0.233	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	142.8	168.4	57	0	0	0	0	110	F58 L59 H92 Q93	F58-T78 WeakPolarHBondContact O-CA 3.45Å; L59-T78 HydrophobicContact CB-CG2 4.44Å; L59-T78 HydrophobicContact CD1-CG2 3.87Å; T78-H92 CarbonylContact O-C 3.31Å; T78-H92 VanDerWaalsContact O-CA 3.26Å; T78-H92 WeakPolarHBondContact O-CA 3.34Å; T78-Q93 PolarHBondContact N-O 3.43Å; T78-Q93 PolarHBondContact O-N 3.15Å; T78-Q93 PolarHBondContact OG1-O 3.24Å
79	F	90.4	Very high	84	Confident	7 Å²	7	52.8 Å²	52.8	3%	0.031	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.3	167.7	65.6	-84.4	0	0	0	111.1	G57 F58 S91 H92 R230 W233	G57-F79 CarbonylContact C-O 3.49Å; G57-F79 VanDerWaalsContact CA-O 3.3Å; G57-F79 WeakPolarHBondContact CA-O 3.27Å; F58-F79 HydrophobicContact CB-CD1 3.86Å; F58-F79 HydrophobicContact CB-CD2 4.28Å; F58-F79 HydrophobicContact CB-CE1 3.38Å; F58-F79 HydrophobicContact CB-CE2 3.86Å; F58-F79 HydrophobicContact CB-CG 4.29Å; F58-F79 HydrophobicContact CB-CZ 3.38Å; F58-F79 HydrophobicContact CD1-CZ 4.32Å; F58-F79 AromaticContact CD2-CD2 3.61Å; F58-F79 HydrophobicContact CD2-CD2 3.61Å; F58-F79 HydrophobicContact CD2-CE1 4.26Å; F58-F79 AromaticContact CD2-CE2 3.07Å; F58-F79 HydrophobicContact CD2-CE2 3.07Å; F58-F79 HydrophobicContact CD2-CG 4.39Å; F58-F79 AromaticContact CD2-CZ 3.47Å; F58-F79 HydrophobicContact CD2-CZ 3.47Å; F58-F79 VanDerWaalsContact CD2-CZ 3.47Å; F58-F79 HydrophobicContact CE2-CD2 4.39Å; F58-F79 AromaticContact CE2-CE2 3.72Å; F58-F79 HydrophobicContact CE2-CE2 3.72Å; F58-F79 HydrophobicContact CE2-CZ 4.3Å; F58-F79 HydrophobicContact CG-CD2 4.31Å; F58-F79 HydrophobicContact CG-CE1 4.02Å; F58-F79 AromaticContact CG-CE2 3.62Å; F58-F79 HydrophobicContact CG-CE2 3.62Å; F58-F79 AromaticContact CG-CZ 3.45Å; F58-F79 HydrophobicContact CG-CZ 3.45Å; F58-F79 VanDerWaalsContact CG-CZ 3.45Å; F58-F79 PolarHBondContact N-O 2.75Å; F58-F79 PolarHBondContact O-N 2.75Å; F79-S91 WeakPolarHBondContact CA-O 3.45Å; F79-H92 VanDerWaalsContact CB-CD2 3.5Å; F79-H92 WeakPolarHBondContact CB-CD2 3.35Å; F79-H92 WeakPolarHBondContact CB-NE2 3.29Å; F79-H92 AromaticContact CG-NE2 3.97Å; F79-R230 HydrophobicContact CE2-CG 4.24Å; F79-R230 HydrophobicContact CZ-CG 4.34Å; F79-W233 HydrophobicContact CE2-CH2 4.19Å
80	Y	88.4	Confident	83.4	Confident	52 Å²	52	53 Å²	53	20%	0.204	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.2	-172.2	-79.4	-102.9	0	0	0	110.7	H55 G57 H83 S91	H55-Y80 HydrophobicContact CB-CD1 4.37Å; H55-Y80 HydrophobicContact CB-CE1 3.69Å; H55-Y80 VanDerWaalsContact O-CD1 3.29Å; H55-Y80 WeakPolarHBondContact O-CD1 3.15Å; G57-Y80 VanDerWaalsContact CA-CD1 3.45Å; Y80-H83 WeakPolarHBondContact CB-CE1 3.38Å; Y80-H83 WeakPolarHBondContact CB-ND1 3.16Å; Y80-H83 AromaticContact CD1-CE1 3.99Å; Y80-H83 AromaticContact CG-CE1 3.55Å; Y80-S91 PolarHBondContact N-O 3.08Å; Y80-S91 VanDerWaalsContact N-O 3.12Å
81	E	81.9	Confident	82.7	Confident	50 Å²	50	50.5 Å²	50.5	23%	0.234	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	141.8	176.6	-64.7	170	-162	0	0	110.8	R56 F58 H83 W233	R56-E81 HydrophobicContact CB-CB 4.2Å; R56-E81 IonicContact CZ-OE2 3.28Å; R56-E81 VanDerWaalsContact CZ-OE2 3.28Å; R56-E81 IonicContact NE-OE2 3.03Å; R56-E81 PolarHBondContact NE-OE2 3.15Å; R56-E81 IonicContact NH2-OE2 2.71Å; R56-E81 PolarHBondContact NH2-OE2 2.67Å; R56-E81 PolarHBondContact O-N 2.92Å; F58-E81 HydrophobicContact CE2-CG 4.47Å; E81-H83 VanDerWaalsContact C-N 3.25Å; E81-H83 PolarHBondContact O-N 3.19Å; E81-W233 HydrophobicContact CG-CH2 4Å; E81-W233 HydrophobicContact CG-CZ2 3.85Å; E81-W233 WeakPolarHBondContact OE1-CZ2 3.45Å
82	G	69.9	Low	82.3	Confident	37 Å²	37	53.4 Å²	53.4	38%	0.381	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	-15.5	174.4	0	0	0	0	0	115.8	S84 N85 T86	G82-S84 PolarHBondContact O-N 3.33Å; G82-S84 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.8Å; G82-T86 PolarHBondContact O-N 2.83Å; G82-T86 PolarHBondContact O-OG1 3.1Å
83	H	71.8	Confident	82.2	Confident	46 Å²	46	55.4 Å²	55.4	21%	0.213	32%	0.32	C	S	.	.	H	α-helix	trans	-56.7	-31.4	176.2	-78.9	-171.1	0	0	0	113.1	Y80 E81 N85 S87	Y80-H83 WeakPolarHBondContact CB-CE1 3.38Å; Y80-H83 WeakPolarHBondContact CB-ND1 3.16Å; Y80-H83 AromaticContact CD1-CE1 3.99Å; Y80-H83 AromaticContact CG-CE1 3.55Å; E81-H83 VanDerWaalsContact C-N 3.25Å; E81-H83 PolarHBondContact O-N 3.19Å; H83-N85 PolarHBondContact O-N 3.03Å; H83-S87 VanDerWaalsContact O-CB 3.3Å; H83-S87 WeakPolarHBondContact O-CB 3.35Å; H83-S87 PolarHBondContact O-N 3.46Å; H83-S87 VanDerWaalsContact O-N 3.11Å
84	S	60.6	Low	82.1	Confident	69 Å²	69	55.8 Å²	55.8	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-24.3	-178.4	69.2	0	0	0	0	115	G82	G82-S84 PolarHBondContact O-N 3.33Å; G82-S84 VanDerWaalsContact O-N 3.14Å
85	N	56.5	Low	82.1	Confident	102 Å²	102	57 Å²	57	55%	0.545	33%	0.332	S	S	.	.	H	α-helix	trans	-111.9	-17.9	-172.7	-66.6	1.8	0	0	0	113.2	G82 H83 R169	G82-N85 PolarHBondContact O-N 2.8Å; H83-N85 PolarHBondContact O-N 3.03Å; N85-R169 PolarHBondContact ND2-NH2 3.01Å; N85-R169 VanDerWaalsContact ND2-NH2 3.19Å; N85-R169 PolarHBondContact OD1-NH2 3.09Å
86	T	57	Low	82.1	Confident	127 Å²	127	56.9 Å²	56.9	78%	0.779	33%	0.332	S	S	*	.	H	α-helix	trans	-133.9	1	-171.4	61.6	0	0	0	0	114.1	G82	G82-T86 PolarHBondContact O-N 2.83Å; G82-T86 PolarHBondContact O-OG1 3.1Å
87	S	59.5	Low	82.1	Confident	44 Å²	44	55.7 Å²	55.7	31%	0.308	33%	0.326	S	S	.	.			trans	-128	143.9	-176.3	-169.9	0	0	0	0	111.5	H83 I89	H83-S87 VanDerWaalsContact O-CB 3.3Å; H83-S87 WeakPolarHBondContact O-CB 3.35Å; H83-S87 PolarHBondContact O-N 3.46Å; H83-S87 VanDerWaalsContact O-N 3.11Å; S87-I89 WeakPolarHBondContact OG-CB 3.47Å; S87-I89 PolarHBondContact OG-N 3.42Å; S87-I89 VanDerWaalsContact OG-N 3.11Å
88	T	69.1	Low	82.1	Confident	147 Å²	147	55.7 Å²	55.7	90%	0.902	33%	0.326	S	S	*	.	S	Bend	trans	-77.8	-8.2	167.6	52.4	0	0	0	0	112.2
89	I	77.7	Confident	82.3	Confident	79 Å²	79	56 Å²	56	41%	0.405	32%	0.324	S	S	.	.	S	Bend	trans	-87.1	132.8	179.5	-54.1	174.6	0	0	0	108.9	S87	S87-I89 WeakPolarHBondContact OG-CB 3.47Å; S87-I89 PolarHBondContact OG-N 3.42Å; S87-I89 VanDerWaalsContact OG-N 3.11Å
90	P	82.8	Confident	82.7	Confident	67 Å²	67	58.3 Å²	58.3	44%	0.435	34%	0.335	S	S	.	.			trans	-52	146.7	174.9	-27.1	35.2	0	0	0	112.8	H92	P90-H92 PolarHBondContact O-N 3.47Å
91	S	84.6	Confident	83.1	Confident	34 Å²	34	57.6 Å²	57.6	24%	0.238	34%	0.336	C	S	.	.	S	Bend	trans	-64.9	-26.5	178.8	62.4	0	0	0	0	113.1	F79 Y80	F79-S91 WeakPolarHBondContact CA-O 3.45Å; Y80-S91 PolarHBondContact N-O 3.08Å; Y80-S91 VanDerWaalsContact N-O 3.12Å
92	H	90.7	Very high	83.9	Confident	65 Å²	65	59.7 Å²	59.7	30%	0.301	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.3	177.5	-67.4	67.9	0	0	0	110.3	T78 F79 P90	T78-H92 CarbonylContact O-C 3.31Å; T78-H92 VanDerWaalsContact O-CA 3.26Å; T78-H92 WeakPolarHBondContact O-CA 3.34Å; F79-H92 VanDerWaalsContact CB-CD2 3.5Å; F79-H92 WeakPolarHBondContact CB-CD2 3.35Å; F79-H92 WeakPolarHBondContact CB-NE2 3.29Å; F79-H92 AromaticContact CG-NE2 3.97Å; P90-H92 PolarHBondContact O-N 3.47Å
93	Q	95.3	Very high	85.2	Confident	95 Å²	95	62.9 Å²	62.9	44%	0.444	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.1	168.8	-60.9	-176.9	-96.2	0	0	109.1	V77 T78 N113	V77-Q93 CarbonylContact C-O 3.55Å; V77-Q93 WeakPolarHBondContact CA-O 3.45Å; T78-Q93 PolarHBondContact N-O 3.43Å; T78-Q93 PolarHBondContact O-N 3.15Å; T78-Q93 PolarHBondContact OG1-O 3.24Å; Q93-N113 WeakPolarHBondContact CA-OD1 3.49Å
94	A	97.8	Very high	86.4	Confident	8 Å²	8	62.8 Å²	62.8	7%	0.066	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151.8	-178.1	0	0	0	0	0	112	K75 L76 V77 G112 N113	K75-A94 HydrophobicContact CD-CB 4.22Å; K75-A94 HydrophobicContact CG-CB 4.34Å; L76-A94 CarbonylContact O-C 3.6Å; L76-A94 WeakPolarHBondContact O-CA 3.33Å; V77-A94 HydrophobicContact CB-CB 4.14Å; V77-A94 HydrophobicContact CG2-CB 4.18Å; A94-G112 WeakPolarHBondContact O-CA 3.21Å; A94-G112 PolarHBondContact O-N 3.44Å; A94-N113 PolarHBondContact N-OD1 2.9Å
95	S	98.8	Very high	88.2	Confident	54 Å²	54	62.3 Å²	62.3	38%	0.378	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.8	169.1	-55.2	0	0	0	0	108.7	K75 L76 M110	K75-S95 WeakPolarHBondContact CA-O 3.29Å; L76-S95 PolarHBondContact N-O 2.91Å; L76-S95 PolarHBondContact O-N 3.01Å; S95-M110 WeakPolarHBondContact CA-O 3.27Å
96	V	98.9	Very high	90.2	Very high	0 Å²	0	60 Å²	60	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.1	176	-172.2	0	0	0	0	108.8	K75 V109 M110 I115 A303	K75-V96 HydrophobicContact CB-CG2 4.07Å; K75-V96 HydrophobicContact CD-CG2 4.29Å; K75-V96 HydrophobicContact CG-CG2 3.99Å; V96-V109 WeakPolarHBondContact O-CA 3.47Å; V96-M110 HydrophobicContact CB-CG 3.7Å; V96-M110 HydrophobicContact CB-SD 4.26Å; V96-M110 PolarHBondContact N-O 3.02Å; V96-M110 WeakPolarHBondContact O-CG 3.48Å; V96-M110 PolarHBondContact O-N 3.31Å; V96-I115 HydrophobicContact CB-CD1 4.43Å; V96-I115 HydrophobicContact CG2-CD1 4.03Å; V96-I115 HydrophobicContact CG2-CG2 4.46Å; V96-A303 HydrophobicContact CG1-CB 3.76Å
97	L	98.9	Very high	92.2	Very high	39 Å²	39	56 Å²	56	20%	0.204	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.2	173.6	-78.8	65.8	0	0	0	107.8	T73 T74 L76 F99 L106 A108 V109	T73-L97 CarbonylContact C-O 3.16Å; T73-L97 WeakPolarHBondContact CA-O 3.31Å; T73-L97 WeakPolarHBondContact CB-O 3.25Å; T74-L97 PolarHBondContact N-O 2.93Å; T74-L97 PolarHBondContact O-N 3.3Å; L76-L97 HydrophobicContact CD1-CD1 3.58Å; L97-F99 HydrophobicContact CB-CD2 4.49Å; L97-F99 HydrophobicContact CB-CE2 3.6Å; L97-F99 HydrophobicContact CB-CZ 3.88Å; L97-F99 HydrophobicContact CD2-CZ 3.99Å; L97-L106 HydrophobicContact CB-CD1 3.76Å; L97-L106 HydrophobicContact CD2-CD1 4.06Å; L97-L106 HydrophobicContact CG-CD1 3.94Å; L97-A108 WeakPolarHBondContact CA-O 3.36Å; L97-V109 HydrophobicContact CD1-CG1 4.26Å; L97-V109 HydrophobicContact CG-CG2 4.29Å
98	L	98.9	Very high	94.1	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.052	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.4	176.9	-173.1	149	0	0	0	109.8	T73 L107 A108 M110 A303 Y307	T73-L98 HydrophobicContact CG2-CB 4.21Å; T73-L98 HydrophobicContact CG2-CD1 4.17Å; T73-L98 HydrophobicContact CG2-CG 4.07Å; L98-L107 HydrophobicContact CD2-CB 3.77Å; L98-L107 HydrophobicContact CD2-CD1 3.59Å; L98-L107 HydrophobicContact CD2-CG 4.19Å; L98-L107 PolarHBondContact O-N 3.46Å; L98-A108 HydrophobicContact CB-CB 4.48Å; L98-A108 PolarHBondContact N-O 3.31Å; L98-A108 PolarHBondContact O-N 2.8Å; L98-M110 HydrophobicContact CB-CE 4.11Å; L98-M110 HydrophobicContact CD1-CE 4.27Å; L98-A303 HydrophobicContact CD1-CB 4.32Å; L98-Y307 HydrophobicContact CD1-CG 4.25Å; L98-Y307 HydrophobicContact CD2-CD1 4.19Å; L98-Y307 HydrophobicContact CD2-CE1 4.45Å; L98-Y307 HydrophobicContact CD2-CG 4.23Å
99	F	98.8	Very high	95.5	Very high	44 Å²	44	48.3 Å²	48.3	19%	0.193	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.4	-174.8	-58.1	-97.1	0	0	0	110.8	L72 L97 P101 S105 L106	L72-F99 HydrophobicContact CB-CB 4.19Å; L72-F99 HydrophobicContact CD2-CB 3.86Å; L72-F99 HydrophobicContact CD2-CG 4.42Å; L72-F99 HydrophobicContact CG-CB 3.96Å; L72-F99 HydrophobicContact CG-CD2 4.3Å; L72-F99 HydrophobicContact CG-CG 4.43Å; L72-F99 PolarHBondContact O-N 2.81Å; L97-F99 HydrophobicContact CB-CD2 4.49Å; L97-F99 HydrophobicContact CB-CE2 3.6Å; L97-F99 HydrophobicContact CB-CZ 3.88Å; L97-F99 HydrophobicContact CD2-CZ 3.99Å; F99-P101 VanDerWaalsContact O-CD 3.27Å; F99-P101 WeakPolarHBondContact O-CD 3.42Å; F99-S105 CarbonylContact C-O 3.57Å; F99-S105 WeakPolarHBondContact CA-O 3.35Å; F99-L106 HydrophobicContact CD1-CB 4.17Å; F99-L106 HydrophobicContact CD1-CD1 3.96Å; F99-L106 HydrophobicContact CE1-CB 4.13Å; F99-L106 HydrophobicContact CE1-CD1 3.63Å; F99-L106 HydrophobicContact CE1-CG 4.43Å; F99-L106 HydrophobicContact CE2-CD1 4.22Å; F99-L106 HydrophobicContact CG-CD1 4.39Å; F99-L106 HydrophobicContact CZ-CD1 3.78Å
100	E	98.3	Very high	96.5	Very high	56 Å²	56	44.7 Å²	44.7	26%	0.262	27%	0.266	S	S	.	.			trans	-71.9	111.4	167.8	173.7	52.1	-117.4	0	0	109.1	S102 N103 G104 S105 L107	E100-S102 VanDerWaalsContact CD-OG 3.29Å; E100-S102 WeakPolarHBondContact CG-OG 3.41Å; E100-S102 PolarHBondContact O-N 2.89Å; E100-S102 WeakPolarHBondContact OE1-CB 3.28Å; E100-S102 PolarHBondContact OE1-N 3.39Å; E100-S102 PolarHBondContact OE1-OG 3.3Å; E100-N103 VanDerWaalsContact CG-CG 3.45Å; E100-N103 WeakPolarHBondContact CG-ND2 3.42Å; E100-N103 WeakPolarHBondContact CG-OD1 3.32Å; E100-N103 PolarHBondContact O-N 2.78Å; E100-G104 WeakPolarHBondContact O-CA 3.31Å; E100-G104 PolarHBondContact O-N 2.98Å; E100-S105 PolarHBondContact N-O 3.39Å; E100-L107 HydrophobicContact CB-CD1 3.94Å; E100-L107 HydrophobicContact CB-CD2 4.08Å; E100-L107 HydrophobicContact CB-CG 3.96Å
101	P	98.3	Very high	97.2	Very high	37 Å²	37	43.1 Å²	43.1	24%	0.24	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.9	-174	-21.2	31.9	0	0	0	113.1	Y65 D70 L72 F99 N103	Y65-P101 HydrophobicContact CE2-CB 3.88Å; Y65-P101 HydrophobicContact CE2-CG 4.27Å; D70-P101 VanDerWaalsContact O-CG 3.3Å; D70-P101 WeakPolarHBondContact O-CG 3.35Å; L72-P101 HydrophobicContact CB-CB 4.47Å; L72-P101 HydrophobicContact CB-CG 4.22Å; F99-P101 VanDerWaalsContact O-CD 3.27Å; F99-P101 WeakPolarHBondContact O-CD 3.42Å; P101-N103 VanDerWaalsContact C-N 3.32Å; P101-N103 PolarHBondContact O-N 3.41Å
102	S	98.1	Very high	97.9	Very high	94 Å²	94	41.5 Å²	41.5	66%	0.657	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.8	-175.3	65.4	0	0	0	0	114.5	E100	E100-S102 VanDerWaalsContact CD-OG 3.29Å; E100-S102 WeakPolarHBondContact CG-OG 3.41Å; E100-S102 PolarHBondContact O-N 2.89Å; E100-S102 WeakPolarHBondContact OE1-CB 3.28Å; E100-S102 PolarHBondContact OE1-N 3.39Å; E100-S102 PolarHBondContact OE1-OG 3.3Å
103	N	97.1	Very high	98.2	Very high	103 Å²	103	40.9 Å²	40.9	55%	0.551	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-144.7	-0.5	-174	65.3	51.6	0	0	0	115.5	E100 P101 S105	E100-N103 VanDerWaalsContact CG-CG 3.45Å; E100-N103 WeakPolarHBondContact CG-ND2 3.42Å; E100-N103 WeakPolarHBondContact CG-OD1 3.32Å; E100-N103 PolarHBondContact O-N 2.78Å; P101-N103 VanDerWaalsContact C-N 3.32Å; P101-N103 PolarHBondContact O-N 3.41Å; N103-S105 VanDerWaalsContact C-N 3.27Å; N103-S105 PolarHBondContact O-N 3.42Å; N103-S105 WeakPolarHBondContact OD1-CB 3.35Å; N103-S105 PolarHBondContact OD1-N 2.92Å; N103-S105 PolarHBondContact OD1-OG 3.07Å
104	G	97.5	Very high	98.3	Very high	45 Å²	45	37.4 Å²	37.4	46%	0.464	23%	0.227	S	C	.	.			trans	73.1	10	176.5	0	0	0	0	0	115.2	E100 L106	E100-G104 WeakPolarHBondContact O-CA 3.31Å; E100-G104 PolarHBondContact O-N 2.98Å; G104-L106 PolarHBondContact O-N 2.78Å
105	S	98.1	Very high	98.3	Very high	58 Å²	58	37 Å²	37	41%	0.406	22%	0.224	S	C	.	.			trans	-65.7	131.2	176.5	-62.6	0	0	0	0	110.4	F99 E100 N103 L107	F99-S105 CarbonylContact C-O 3.57Å; F99-S105 WeakPolarHBondContact CA-O 3.35Å; E100-S105 PolarHBondContact N-O 3.39Å; N103-S105 VanDerWaalsContact C-N 3.27Å; N103-S105 PolarHBondContact O-N 3.42Å; N103-S105 WeakPolarHBondContact OD1-CB 3.35Å; N103-S105 PolarHBondContact OD1-N 2.92Å; N103-S105 PolarHBondContact OD1-OG 3.07Å; S105-L107 PolarHBondContact O-N 3.45Å
106	L	98.5	Very high	98.3	Very high	53 Å²	53	35.3 Å²	35.3	28%	0.277	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	112.6	171.7	-178	66.4	0	0	0	109	P5 L97 F99 G104 V109	P5-L106 HydrophobicContact CB-CB 4.44Å; P5-L106 HydrophobicContact CB-CD2 3.9Å; P5-L106 HydrophobicContact CB-CG 3.83Å; P5-L106 HydrophobicContact CG-CD2 4Å; P5-L106 HydrophobicContact CG-CG 4.45Å; L97-L106 HydrophobicContact CB-CD1 3.76Å; L97-L106 HydrophobicContact CD2-CD1 4.06Å; L97-L106 HydrophobicContact CG-CD1 3.94Å; F99-L106 HydrophobicContact CD1-CB 4.17Å; F99-L106 HydrophobicContact CD1-CD1 3.96Å; F99-L106 HydrophobicContact CE1-CB 4.13Å; F99-L106 HydrophobicContact CE1-CD1 3.63Å; F99-L106 HydrophobicContact CE1-CG 4.43Å; F99-L106 HydrophobicContact CE2-CD1 4.22Å; F99-L106 HydrophobicContact CG-CD1 4.39Å; F99-L106 HydrophobicContact CZ-CD1 3.78Å; G104-L106 PolarHBondContact O-N 2.78Å; L106-V109 HydrophobicContact CD2-CG2 3.98Å
107	L	98.4	Very high	98.3	Very high	44 Å²	44	36 Å²	36	23%	0.23	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-44.8	-178.5	-65.6	179.8	0	0	0	111.2	P5 A6 L98 E100 S105 Y307	P5-L107 WeakPolarHBondContact CA-O 3.4Å; A6-L107 PolarHBondContact N-O 2.87Å; L98-L107 HydrophobicContact CD2-CB 3.77Å; L98-L107 HydrophobicContact CD2-CD1 3.59Å; L98-L107 HydrophobicContact CD2-CG 4.19Å; L98-L107 PolarHBondContact O-N 3.46Å; E100-L107 HydrophobicContact CB-CD1 3.94Å; E100-L107 HydrophobicContact CB-CD2 4.08Å; E100-L107 HydrophobicContact CB-CG 3.96Å; S105-L107 PolarHBondContact O-N 3.45Å; L107-Y307 HydrophobicContact CB-CE2 4.08Å; L107-Y307 HydrophobicContact CD1-CE1 4.13Å
108	A	98.7	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.3	-176.4	0	0	0	0	0	113.5	A6 L8 L97 L98 M110 Y307	A6-A108 HydrophobicContact CB-CB 4.2Å; A6-A108 CarbonylContact O-C 3.53Å; A6-A108 VanDerWaalsContact O-CA 3.31Å; A6-A108 WeakPolarHBondContact O-CA 3.35Å; L8-A108 HydrophobicContact CD1-CB 4.03Å; L97-A108 WeakPolarHBondContact CA-O 3.36Å; L98-A108 HydrophobicContact CB-CB 4.48Å; L98-A108 PolarHBondContact N-O 3.31Å; L98-A108 PolarHBondContact O-N 2.8Å; A108-M110 HydrophobicContact CB-CE 4.11Å; A108-Y307 HydrophobicContact CB-CD2 3.77Å; A108-Y307 HydrophobicContact CB-CE2 3.92Å
109	V	98.8	Very high	98.2	Very high	30 Å²	30	34.8 Å²	34.8	18%	0.182	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120	161.6	-174.3	0	0	0	0	106.8	A6 F7 L8 V96 L97 L106	A6-V109 PolarHBondContact O-N 2.84Å; F7-V109 VanDerWaalsContact CA-O 3.31Å; F7-V109 WeakPolarHBondContact CA-O 3.46Å; F7-V109 HydrophobicContact CD1-CB 3.95Å; F7-V109 HydrophobicContact CD1-CG1 4.41Å; F7-V109 HydrophobicContact CE1-CB 3.95Å; F7-V109 HydrophobicContact CE1-CG1 4.33Å; F7-V109 HydrophobicContact CE1-CG2 4.07Å; F7-V109 HydrophobicContact CZ-CG2 4.43Å; L8-V109 PolarHBondContact N-O 3.45Å; V96-V109 WeakPolarHBondContact O-CA 3.47Å; L97-V109 HydrophobicContact CD1-CG1 4.26Å; L97-V109 HydrophobicContact CG-CG2 4.29Å; L106-V109 HydrophobicContact CD2-CG2 3.98Å
110	M	98.8	Very high	98.2	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	153	-175.6	62.2	-172.6	71.4	0	0	111.9	L8 V13 S95 V96 L98 A108 G112 I115 A303 V306	L8-M110 HydrophobicContact CB-CB 3.9Å; L8-M110 WeakPolarHBondContact O-CA 3.32Å; V13-M110 HydrophobicContact CG2-CB 4.07Å; S95-M110 WeakPolarHBondContact CA-O 3.27Å; V96-M110 HydrophobicContact CB-CG 3.7Å; V96-M110 HydrophobicContact CB-SD 4.26Å; V96-M110 PolarHBondContact N-O 3.02Å; V96-M110 WeakPolarHBondContact O-CG 3.48Å; V96-M110 PolarHBondContact O-N 3.31Å; L98-M110 HydrophobicContact CB-CE 4.11Å; L98-M110 HydrophobicContact CD1-CE 4.27Å; A108-M110 HydrophobicContact CB-CE 4.11Å; M110-G112 PolarHBondContact O-N 3.02Å; M110-I115 HydrophobicContact CG-CD1 3.87Å; M110-I115 HydrophobicContact SD-CD1 3.44Å; M110-I115 WeakPolarHBondContact SD-CD1 3.32Å; M110-A303 HydrophobicContact CE-CB 3.99Å; M110-A303 HydrophobicContact SD-CB 3.48Å; M110-A303 WeakPolarHBondContact SD-CB 3.4Å; M110-V306 HydrophobicContact SD-CG1 4.48Å
111	D	98.5	Very high	98.3	Very high	34 Å²	34	30.2 Å²	30.2	18%	0.182	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	123.2	170	178.2	-91.1	0	0	0	110.6	L8 A10 V13 N113 V114	L8-D111 PolarHBondContact O-N 2.97Å; A10-D111 HydrophobicContact CB-CB 3.93Å; V13-D111 HydrophobicContact CG2-CB 4.2Å; D111-N113 WeakPolarHBondContact OD1-CA 3.3Å; D111-N113 WeakPolarHBondContact OD1-CB 3.32Å; D111-N113 PolarHBondContact OD1-N 3.17Å; D111-V114 PolarHBondContact OD1-N 3.36Å
112	G	98.3	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-93.1	-6.4	179.2	0	0	0	0	0	113.5	A94 M110 T116	A94-G112 WeakPolarHBondContact O-CA 3.21Å; A94-G112 PolarHBondContact O-N 3.44Å; M110-G112 PolarHBondContact O-N 3.02Å; G112-T116 WeakPolarHBondContact O-CB 3.17Å; G112-T116 PolarHBondContact O-N 2.68Å; G112-T116 PolarHBondContact O-OG1 3.14Å
113	N	97	Very high	98.3	Very high	51 Å²	51	24 Å²	24	27%	0.273	15%	0.146	S	C	.	.	H	α-helix	trans	-72	-50.7	-176.6	-71.6	11.9	0	0	0	110.5	Q93 A94 D111 T116 A117	Q93-N113 WeakPolarHBondContact CA-OD1 3.49Å; A94-N113 PolarHBondContact N-OD1 2.9Å; D111-N113 WeakPolarHBondContact OD1-CA 3.3Å; D111-N113 WeakPolarHBondContact OD1-CB 3.32Å; D111-N113 PolarHBondContact OD1-N 3.17Å; N113-T116 PolarHBondContact O-N 2.77Å; N113-A117 PolarHBondContact O-N 2.84Å
114	V	97.7	Very high	98.4	Very high	23 Å²	23	19 Å²	19	14%	0.139	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-44.5	177.5	178	0	0	0	0	110.4	A10 V13 Q14 D111 T116 A117 K118	A10-V114 HydrophobicContact CB-CG2 4.12Å; V13-V114 HydrophobicContact CG1-CB 3.85Å; V13-V114 HydrophobicContact CG1-CG1 3.92Å; Q14-V114 HydrophobicContact CB-CG1 4.3Å; D111-V114 PolarHBondContact OD1-N 3.36Å; V114-T116 PolarHBondContact O-N 2.72Å; V114-A117 PolarHBondContact O-N 2.9Å; V114-K118 HydrophobicContact CG1-CD 4.34Å; V114-K118 PolarHBondContact O-N 2.96Å
115	I	98.4	Very high	98.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-56.3	-51.7	174.7	-72.6	170.6	0	0	0	110.3	V13 L17 V96 M110 A117 K118 R119 D299 A302 A303	V13-I115 HydrophobicContact CG1-CD1 4.36Å; V13-I115 HydrophobicContact CG1-CG1 3.87Å; L17-I115 HydrophobicContact CD2-CG1 4.49Å; V96-I115 HydrophobicContact CB-CD1 4.43Å; V96-I115 HydrophobicContact CG2-CD1 4.03Å; V96-I115 HydrophobicContact CG2-CG2 4.46Å; M110-I115 HydrophobicContact CG-CD1 3.87Å; M110-I115 HydrophobicContact SD-CD1 3.44Å; M110-I115 WeakPolarHBondContact SD-CD1 3.32Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.41Å; I115-K118 PolarHBondContact O-N 3.13Å; I115-R119 HydrophobicContact CG2-CG 4.39Å; I115-R119 WeakPolarHBondContact O-CB 3.35Å; I115-R119 WeakPolarHBondContact O-CG 3.43Å; I115-R119 PolarHBondContact O-N 3.39Å; I115-D299 HydrophobicContact CG2-CB 4.38Å; I115-A302 HydrophobicContact CG1-CB 4.46Å; I115-A302 HydrophobicContact CG2-CB 3.77Å; I115-A303 HydrophobicContact CD1-CB 4.32Å
116	T	98.3	Very high	98.5	Very high	18 Å²	18	14.3 Å²	14.3	11%	0.11	8%	0.079	C	C	.	.	H	α-helix	trans	-60.2	-42.5	-178.5	-67.6	0	0	0	0	111.7	G112 N113 V114 T120	G112-T116 WeakPolarHBondContact O-CB 3.17Å; G112-T116 PolarHBondContact O-N 2.68Å; G112-T116 PolarHBondContact O-OG1 3.14Å; N113-T116 PolarHBondContact O-N 2.77Å; V114-T116 PolarHBondContact O-N 2.72Å; T116-T120 VanDerWaalsContact O-CB 3.28Å; T116-T120 WeakPolarHBondContact O-CB 3.41Å; T116-T120 PolarHBondContact O-N 3.2Å; T116-T120 PolarHBondContact O-OG1 2.82Å
117	A	98.1	Very high	98.5	Very high	13 Å²	13	11.8 Å²	11.8	11%	0.107	7%	0.066	C	C	.	.	H	α-helix	trans	-62.4	-53.7	177.5	0	0	0	0	0	111.3	N113 V114 I115 A121 V146 S150	N113-A117 PolarHBondContact O-N 2.84Å; V114-A117 PolarHBondContact O-N 2.9Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 3.41Å; A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 2.92Å; A117-V146 HydrophobicContact CB-CG1 3.92Å; A117-S150 WeakPolarHBondContact O-CB 3.42Å; A117-S150 PolarHBondContact O-OG 2.82Å
118	K	98.6	Very high	98.6	Very high	12 Å²	12	9.7 Å²	9.7	5%	0.052	6%	0.055	C	C	.	.	H	α-helix	trans	-67.2	-44.1	-175.4	-71.9	-170.7	177.9	-79	0	112.9	L17 R18 L23 V114 I115 A122 E153	L17-K118 HydrophobicContact CD2-CB 4.34Å; L17-K118 HydrophobicContact CD2-CD 4.14Å; L17-K118 HydrophobicContact CG-CD 3.95Å; L17-K118 VanDerWaalsContact O-CD 3.26Å; L17-K118 WeakPolarHBondContact O-CD 3.47Å; L17-K118 WeakPolarHBondContact O-CE 3.28Å; R18-K118 PolarHBondContact O-NZ 2.79Å; R18-K118 VanDerWaalsContact O-NZ 3.1Å; L23-K118 HydrophobicContact CD1-CB 3.93Å; V114-K118 HydrophobicContact CG1-CD 4.34Å; V114-K118 PolarHBondContact O-N 2.96Å; I115-K118 PolarHBondContact O-N 3.13Å; K118-A122 VanDerWaalsContact O-CB 3.3Å; K118-A122 WeakPolarHBondContact O-CB 3.49Å; K118-A122 PolarHBondContact O-N 3.2Å; K118-E153 IonicContact NZ-OE1 3.69Å; K118-E153 PolarHBondContact NZ-OE1 2.87Å; K118-E153 VanDerWaalsContact NZ-OE1 3.15Å; K118-E153 IonicContact NZ-OE2 2.75Å
119	R	98.6	Very high	98.5	Very high	12 Å²	12	14.9 Å²	14.9	5%	0.045	8%	0.078	C	C	.	.	H	α-helix	trans	-66.3	-40.1	-179.6	71.1	93	-172	145.3	11	112.4	L23 I115 A122 V123 E298 D299	L23-R119 HydrophobicContact CD1-CB 4.3Å; I115-R119 HydrophobicContact CG2-CG 4.39Å; I115-R119 WeakPolarHBondContact O-CB 3.35Å; I115-R119 WeakPolarHBondContact O-CG 3.43Å; I115-R119 PolarHBondContact O-N 3.39Å; R119-A122 PolarHBondContact O-N 2.89Å; R119-V123 WeakPolarHBondContact O-CG2 3.49Å; R119-V123 PolarHBondContact O-N 3.42Å; R119-E298 HydrophobicContact CB-CB 4.5Å; R119-E298 WeakPolarHBondContact CD-OE2 3.13Å; R119-E298 IonicContact CZ-OE2 3.74Å; R119-E298 IonicContact NE-OE2 2.68Å; R119-E298 IonicContact NH1-OE2 3.71Å; R119-E298 PolarHBondContact NH1-OE2 3.44Å; R119-D299 IonicContact NE-OD1 2.73Å; R119-D299 PolarHBondContact NE-OD1 3.33Å
120	T	98.8	Very high	98.5	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-65.9	-44.7	-179.7	-50.6	0	0	0	0	110.9	T116 V123 S124 V226	T116-T120 VanDerWaalsContact O-CB 3.28Å; T116-T120 WeakPolarHBondContact O-CB 3.41Å; T116-T120 PolarHBondContact O-N 3.2Å; T116-T120 PolarHBondContact O-OG1 2.82Å; T120-V123 PolarHBondContact O-N 3.32Å; T120-S124 PolarHBondContact O-N 3.42Å; T120-S124 VanDerWaalsContact O-N 3.08Å; T120-S124 PolarHBondContact O-OG 3.18Å; T120-V226 HydrophobicContact CG2-CG1 3.45Å; T120-V226 VanDerWaalsContact CG2-CG1 3.45Å
121	A	98.8	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.5	-42	176.1	0	0	0	0	0	111.9	A117 S124 A125 S150 I154	A117-A121 WeakPolarHBondContact O-CB 3.49Å; A117-A121 PolarHBondContact O-N 2.92Å; A121-S124 PolarHBondContact O-N 3.42Å; A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 2.8Å; A121-S150 VanDerWaalsContact CB-C 3.48Å; A121-S150 WeakPolarHBondContact CB-O 3.37Å; A121-I154 HydrophobicContact CB-CG2 3.8Å
122	A	98.9	Very high	98.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.7	-43.7	177.1	0	0	0	0	0	112.9	L23 I24 L27 K118 R119 S124 A125 I126 I154	L23-A122 HydrophobicContact CB-CB 4.04Å; L23-A122 HydrophobicContact CD1-CB 4.47Å; I24-A122 HydrophobicContact CG1-CB 4.4Å; L27-A122 HydrophobicContact CD1-CB 3.52Å; K118-A122 VanDerWaalsContact O-CB 3.3Å; K118-A122 WeakPolarHBondContact O-CB 3.49Å; K118-A122 PolarHBondContact O-N 3.2Å; R119-A122 PolarHBondContact O-N 2.89Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 3.33Å; A122-A125 WeakPolarHBondContact O-CB 3.46Å; A122-A125 PolarHBondContact O-N 3.01Å; A122-I126 WeakPolarHBondContact O-CG1 3.48Å; A122-I126 PolarHBondContact O-N 3.49Å; A122-I154 HydrophobicContact CB-CD1 3.94Å
123	V	98.9	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-38.9	175.1	174.6	0	0	0	0	111.7	L27 L31 R119 T120 A125 I126 A127 L272 F290 E298	L27-V123 HydrophobicContact CD1-CG2 4.04Å; L27-V123 HydrophobicContact CD2-CG2 4.43Å; L31-V123 HydrophobicContact CD1-CG1 4.36Å; L31-V123 HydrophobicContact CD1-CG2 4.48Å; R119-V123 WeakPolarHBondContact O-CG2 3.49Å; R119-V123 PolarHBondContact O-N 3.42Å; T120-V123 PolarHBondContact O-N 3.32Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-I126 WeakPolarHBondContact O-CB 3.38Å; V123-I126 PolarHBondContact O-N 2.93Å; V123-A127 PolarHBondContact O-N 2.94Å; V123-L272 HydrophobicContact CG1-CD2 3.97Å; V123-F290 HydrophobicContact CG1-CE1 3.9Å; V123-F290 HydrophobicContact CG1-CZ 3.62Å; V123-E298 HydrophobicContact CG2-CG 3.93Å
124	S	98.9	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.5	-36.5	175	-55.8	0	0	0	0	112	T120 A121 A122 A127 T128 H151 N224	T120-S124 PolarHBondContact O-N 3.42Å; T120-S124 VanDerWaalsContact O-N 3.08Å; T120-S124 PolarHBondContact O-OG 3.18Å; A121-S124 PolarHBondContact O-N 3.42Å; A122-S124 VanDerWaalsContact C-N 3.33Å; A122-S124 PolarHBondContact O-N 3.33Å; S124-A127 PolarHBondContact O-N 2.83Å; S124-T128 WeakPolarHBondContact O-CB 3.29Å; S124-T128 PolarHBondContact O-N 3.04Å; S124-T128 PolarHBondContact O-OG1 3.42Å; S124-H151 VanDerWaalsContact CB-NE2 3.3Å; S124-H151 WeakPolarHBondContact CB-NE2 3.43Å; S124-H151 PolarHBondContact OG-NE2 3.36Å; S124-N224 WeakPolarHBondContact CA-OD1 3.43Å; S124-N224 PolarHBondContact O-OD1 2.98Å; S124-N224 VanDerWaalsContact O-OD1 3.07Å
125	A	98.9	Very high	97.9	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	13%	0.13	C	C	.	.	H	α-helix	trans	-66.2	-38.5	173.3	0	0	0	0	0	111.7	A121 A122 V123 T128 K129 I154 F155 F159	A121-A125 WeakPolarHBondContact O-CB 3.49Å; A121-A125 PolarHBondContact O-N 2.8Å; A122-A125 WeakPolarHBondContact O-CB 3.46Å; A122-A125 PolarHBondContact O-N 3.01Å; V123-A125 VanDerWaalsContact C-N 3.34Å; A125-T128 PolarHBondContact O-N 3.15Å; A125-K129 WeakPolarHBondContact O-CB 3.34Å; A125-K129 PolarHBondContact O-N 3Å; A125-I154 HydrophobicContact CB-CD1 3.98Å; A125-I154 HydrophobicContact CB-CG1 4.44Å; A125-I154 HydrophobicContact CB-CG2 4.13Å; A125-F155 HydrophobicContact CB-CD2 4.45Å; A125-F155 HydrophobicContact CB-CE2 4.09Å; A125-F159 HydrophobicContact CB-CE2 4.28Å; A125-F159 WeakPolarHBondContact O-CZ 3.45Å
126	I	98.9	Very high	97.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-60.1	-52.8	171.7	-67.9	162.4	0	0	0	109.9	I24 L27 E28 L31 A122 V123 T128 K129 F130 L272 V276	I24-I126 HydrophobicContact CB-CG1 4.48Å; I24-I126 HydrophobicContact CG1-CG1 4.41Å; I24-I126 HydrophobicContact CG2-CD1 4.38Å; I24-I126 HydrophobicContact CG2-CG1 3.89Å; L27-I126 HydrophobicContact CB-CD1 3.68Å; E28-I126 HydrophobicContact CG-CD1 3.73Å; E28-I126 HydrophobicContact CG-CG1 3.81Å; E28-I126 HydrophobicContact CG-CG2 3.84Å; L31-I126 HydrophobicContact CD1-CD1 4.05Å; L31-I126 HydrophobicContact CD1-CG2 4.22Å; A122-I126 WeakPolarHBondContact O-CG1 3.48Å; A122-I126 PolarHBondContact O-N 3.49Å; V123-I126 WeakPolarHBondContact O-CB 3.38Å; V123-I126 PolarHBondContact O-N 2.93Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 3.28Å; I126-K129 WeakPolarHBondContact O-CB 3.14Å; I126-K129 PolarHBondContact O-N 3.42Å; I126-K129 VanDerWaalsContact O-N 3.14Å; I126-F130 HydrophobicContact CG2-CD2 4.21Å; I126-F130 HydrophobicContact CG2-CE2 4.21Å; I126-F130 WeakPolarHBondContact O-CD2 3.32Å; I126-F130 PolarHBondContact O-N 2.78Å; I126-L272 HydrophobicContact CG2-CD2 4.13Å; I126-L272 HydrophobicContact CG2-CG 4.47Å; I126-V276 HydrophobicContact CG2-CG2 3.98Å
127	A	98.9	Very high	97.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-53.8	-47.7	177	0	0	0	0	0	111.5	V123 S124 K129 F130 L131 L272 F290	V123-A127 PolarHBondContact O-N 2.94Å; S124-A127 PolarHBondContact O-N 2.83Å; A127-K129 PolarHBondContact O-N 2.89Å; A127-F130 PolarHBondContact O-N 3.23Å; A127-F130 VanDerWaalsContact O-N 3.16Å; A127-L131 HydrophobicContact CB-CD1 4.4Å; A127-L131 WeakPolarHBondContact O-CB 3.18Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 2.75Å; A127-L272 HydrophobicContact CB-CD1 4.11Å; A127-L272 HydrophobicContact CB-CD2 3.96Å; A127-F290 HydrophobicContact CB-CB 3.92Å; A127-F290 HydrophobicContact CB-CD1 3.3Å; A127-F290 HydrophobicContact CB-CD2 4.15Å; A127-F290 HydrophobicContact CB-CE1 3.79Å; A127-F290 HydrophobicContact CB-CG 3.51Å; A127-F290 HydrophobicContact CB-CZ 4.41Å
128	T	98.9	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.5	-41.5	178.8	-59.1	0	0	0	0	112.4	S124 A125 I126 F130 L131 K132 F155 F159 V200 N224	S124-T128 WeakPolarHBondContact O-CB 3.29Å; S124-T128 PolarHBondContact O-N 3.04Å; S124-T128 PolarHBondContact O-OG1 3.42Å; A125-T128 PolarHBondContact O-N 3.15Å; I126-T128 VanDerWaalsContact C-N 3.28Å; I126-T128 PolarHBondContact O-N 3.28Å; T128-F130 PolarHBondContact O-N 2.75Å; T128-L131 PolarHBondContact O-N 2.68Å; T128-K132 HydrophobicContact CG2-CB 3.94Å; T128-K132 HydrophobicContact CG2-CD 4.1Å; T128-K132 WeakPolarHBondContact O-CB 3.18Å; T128-K132 WeakPolarHBondContact O-CG 3.4Å; T128-K132 PolarHBondContact O-N 2.85Å; T128-F155 HydrophobicContact CG2-CE1 3.84Å; T128-F155 VanDerWaalsContact OG1-CE1 3.3Å; T128-F155 WeakPolarHBondContact OG1-CE1 3.42Å; T128-F155 VanDerWaalsContact OG1-CZ 3.32Å; T128-F155 WeakPolarHBondContact OG1-CZ 3.33Å; T128-F159 HydrophobicContact CG2-CD2 4.36Å; T128-F159 HydrophobicContact CG2-CE1 4.46Å; T128-F159 HydrophobicContact CG2-CE2 3.78Å; T128-F159 HydrophobicContact CG2-CZ 3.84Å; T128-V200 HydrophobicContact CG2-CG1 3.96Å; T128-V200 HydrophobicContact CG2-CG2 4.07Å; T128-N224 PolarHBondContact OG1-ND2 3.44Å; T128-N224 PolarHBondContact OG1-OD1 2.97Å
129	K	98.6	Very high	97.9	Very high	110 Å²	110	27 Å²	27	48%	0.478	14%	0.139	S	C	.	.	H	α-helix	trans	-56.4	-37.4	176.7	171.8	-173.9	167.7	-167.2	0	112	E28 A125 I126 A127 F159	E28-K129 IonicContact OE1-NZ 2.75Å; E28-K129 PolarHBondContact OE1-NZ 2.74Å; E28-K129 IonicContact OE2-NZ 2.82Å; A125-K129 WeakPolarHBondContact O-CB 3.34Å; A125-K129 PolarHBondContact O-N 3Å; I126-K129 WeakPolarHBondContact O-CB 3.14Å; I126-K129 PolarHBondContact O-N 3.42Å; I126-K129 VanDerWaalsContact O-N 3.14Å; A127-K129 PolarHBondContact O-N 2.89Å; K129-F159 HydrophobicContact CB-CE1 4.32Å; K129-F159 HydrophobicContact CB-CZ 4.25Å
130	F	98.8	Very high	97.9	Very high	61 Å²	61	26.4 Å²	26.4	27%	0.268	14%	0.137	S	C	.	.	H	α-helix	trans	-88.6	-32.1	179.4	-75.8	-86.9	0	0	0	113.6	I126 A127 T128 V275 V276 A282	I126-F130 HydrophobicContact CG2-CD2 4.21Å; I126-F130 HydrophobicContact CG2-CE2 4.21Å; I126-F130 WeakPolarHBondContact O-CD2 3.32Å; I126-F130 PolarHBondContact O-N 2.78Å; A127-F130 PolarHBondContact O-N 3.23Å; A127-F130 VanDerWaalsContact O-N 3.16Å; T128-F130 PolarHBondContact O-N 2.75Å; F130-V275 HydrophobicContact CB-CG1 4.08Å; F130-V275 HydrophobicContact CD1-CG1 3.96Å; F130-V275 HydrophobicContact CG-CG1 4.15Å; F130-V276 HydrophobicContact CD2-CG2 4.36Å; F130-V276 HydrophobicContact CE2-CG2 3.9Å; F130-V276 HydrophobicContact CZ-CG2 4.3Å; F130-A282 WeakPolarHBondContact O-CB 3.44Å
131	L	98.8	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-112.6	-12.6	-163.5	-60.1	175.6	0	0	0	114.9	A127 T128 H222 Y247 A282 C284 T288 F290	A127-L131 HydrophobicContact CB-CD1 4.4Å; A127-L131 WeakPolarHBondContact O-CB 3.18Å; A127-L131 VanDerWaalsContact O-CG 3.3Å; A127-L131 WeakPolarHBondContact O-CG 3.32Å; A127-L131 PolarHBondContact O-N 2.75Å; T128-L131 PolarHBondContact O-N 2.68Å; L131-H222 WeakPolarHBondContact CB-ND1 3.47Å; L131-Y247 HydrophobicContact CD1-CD1 4.34Å; L131-Y247 HydrophobicContact CD1-CD2 3.71Å; L131-Y247 HydrophobicContact CD1-CE2 4.24Å; L131-Y247 HydrophobicContact CD1-CG 3.77Å; L131-Y247 HydrophobicContact CD2-CD1 4.3Å; L131-Y247 HydrophobicContact CD2-CD2 3.94Å; L131-Y247 HydrophobicContact CD2-CE1 3.99Å; L131-Y247 HydrophobicContact CD2-CE2 3.59Å; L131-Y247 HydrophobicContact CD2-CG 4.28Å; L131-Y247 HydrophobicContact CG-CD2 4.48Å; L131-A282 HydrophobicContact CD2-CB 3.99Å; L131-C284 WeakPolarHBondContact O-CA 3.36Å; L131-T288 PolarHBondContact O-OG1 2.87Å; L131-F290 HydrophobicContact CD1-CB 4.34Å
132	K	98.6	Very high	97.9	Very high	59 Å²	59	26.2 Å²	26.2	26%	0.257	14%	0.136	S	C	.	.	S	Bend	trans	-63.2	145.7	177.9	74.7	-176.2	-164.5	63.9	0	111.3	T128 S136 F159 V200 H222 C284	T128-K132 HydrophobicContact CG2-CB 3.94Å; T128-K132 HydrophobicContact CG2-CD 4.1Å; T128-K132 WeakPolarHBondContact O-CB 3.18Å; T128-K132 WeakPolarHBondContact O-CG 3.4Å; T128-K132 PolarHBondContact O-N 2.85Å; K132-S136 WeakPolarHBondContact CD-OG 3.31Å; K132-S136 WeakPolarHBondContact CG-OG 3.43Å; K132-S136 PolarHBondContact NZ-OG 2.86Å; K132-F159 HydrophobicContact CD-CD1 4.36Å; K132-F159 HydrophobicContact CD-CE1 4.35Å; K132-V200 HydrophobicContact CB-CG2 3.86Å; K132-H222 HydrophobicContact CB-CB 4.48Å; K132-C284 WeakPolarHBondContact O-CB 3.46Å
133	P	97.7	Very high	97.9	Very high	11 Å²	11	26.2 Å²	26.2	7%	0.071	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-60.1	157.1	176.7	24	-33.3	0	0	0	112.3	S136 D199 G220 C284	P133-S136 PolarHBondContact O-OG 3.32Å; P133-D199 WeakPolarHBondContact CD-O 3.31Å; P133-D199 HydrophobicContact CG-CB 3.95Å; P133-G220 WeakPolarHBondContact CB-O 3.47Å; P133-G220 WeakPolarHBondContact CD-O 3.31Å; P133-G220 WeakPolarHBondContact CG-O 3.45Å; P133-C284 WeakPolarHBondContact CA-O 3.34Å
134	P	90.1	Very high	97.8	Very high	83 Å²	83	26.9 Å²	26.9	54%	0.539	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	143.1	166.1	26	-33.2	0	0	0	109.6
135	D	90.5	Very high	97.6	Very high	143 Å²	143	28.6 Å²	28.6	77%	0.765	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	52.2	179.8	-53.4	-38	0	0	0	114.8	D137	D135-D137 PolarHBondContact O-N 3.3Å
136	S	97.4	Very high	97.4	Very high	11 Å²	11	33.2 Å²	33.2	8%	0.077	19%	0.188	C	C	.	.			trans	-74.1	110.7	175.7	-21.2	0	0	0	0	111.5	K132 P133	K132-S136 WeakPolarHBondContact CD-OG 3.31Å; K132-S136 WeakPolarHBondContact CG-OG 3.43Å; K132-S136 PolarHBondContact NZ-OG 2.86Å; P133-S136 PolarHBondContact O-OG 3.32Å
137	D	98.3	Very high	97.4	Very high	52 Å²	52	35 Å²	35	28%	0.278	20%	0.196	S	C	.	.			trans	-108.9	-26.3	-175.2	-79.5	-34.5	0	0	0	113	D135 F161 K162 E163 D199	D135-D137 PolarHBondContact O-N 3.3Å; D137-F161 CarbonylContact O-C 3.59Å; D137-F161 WeakPolarHBondContact O-CA 3.16Å; D137-K162 HydrophobicContact CB-CB 4.33Å; D137-K162 HydrophobicContact CB-CD 4.02Å; D137-K162 HydrophobicContact CB-CG 4.21Å; D137-K162 VanDerWaalsContact CG-CD 3.5Å; D137-K162 PolarHBondContact O-N 2.93Å; D137-K162 VanDerWaalsContact OD1-CD 3.32Å; D137-K162 WeakPolarHBondContact OD1-CD 3.25Å; D137-K162 WeakPolarHBondContact OD1-CE 3.42Å; D137-K162 IonicContact OD1-NZ 3.22Å; D137-K162 PolarHBondContact OD1-NZ 2.91Å; D137-K162 IonicContact OD2-NZ 2.68Å; D137-K162 PolarHBondContact OD2-NZ 2.65Å; D137-E163 PolarHBondContact O-N 2.96Å; D137-D199 PolarHBondContact N-OD2 3.32Å
138	V	98.9	Very high	97.4	Very high	17 Å²	17	35 Å²	35	10%	0.103	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.5	-173.1	-178	0	0	0	0	111.5	E163 A198 D199 V200	V138-E163 WeakPolarHBondContact CA-O 3.44Å; V138-E163 HydrophobicContact CG2-CB 4.35Å; V138-A198 HydrophobicContact CG1-CB 4.14Å; V138-D199 PolarHBondContact N-OD2 2.93Å; V138-D199 PolarHBondContact O-N 2.96Å; V138-V200 PolarHBondContact O-N 3.46Å; V138-V200 VanDerWaalsContact O-N 3.16Å
139	L	98.9	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.6	170.9	175.2	63	0	0	0	110.5	I141 F155 F161 E163 V164 R165 V200 I202	L139-I141 HydrophobicContact CD2-CD1 4.42Å; L139-I141 HydrophobicContact CD2-CG1 4.47Å; L139-I141 HydrophobicContact CG-CG1 4.32Å; L139-F155 HydrophobicContact CD1-CD1 4.05Å; L139-F155 HydrophobicContact CD1-CE1 4.49Å; L139-F155 HydrophobicContact CD2-CB 4.02Å; L139-F155 HydrophobicContact CD2-CD1 4.3Å; L139-F161 HydrophobicContact CB-CB 4.31Å; L139-F161 HydrophobicContact CB-CD1 3.82Å; L139-F161 HydrophobicContact CB-CD2 3.72Å; L139-F161 HydrophobicContact CB-CE1 3.99Å; L139-F161 HydrophobicContact CB-CE2 3.89Å; L139-F161 HydrophobicContact CB-CG 3.67Å; L139-F161 HydrophobicContact CB-CZ 4.03Å; L139-F161 HydrophobicContact CD1-CE2 4.38Å; L139-F161 HydrophobicContact CD1-CZ 4.29Å; L139-F161 HydrophobicContact CD2-CD2 3.95Å; L139-F161 HydrophobicContact CD2-CE2 3.85Å; L139-F161 HydrophobicContact CG-CD2 4.4Å; L139-F161 HydrophobicContact CG-CE2 4.26Å; L139-E163 PolarHBondContact N-O 3.04Å; L139-V164 HydrophobicContact CB-CG1 4.38Å; L139-V164 HydrophobicContact CB-CG2 4.34Å; L139-V164 HydrophobicContact CD2-CG1 4.03Å; L139-V164 HydrophobicContact CD2-CG2 4.36Å; L139-V164 HydrophobicContact CG-CG1 4.24Å; L139-V164 CarbonylContact O-C 3.53Å; L139-V164 WeakPolarHBondContact O-CA 3.24Å; L139-R165 PolarHBondContact O-N 3.3Å; L139-V200 CarbonylContact C-O 3.46Å; L139-V200 WeakPolarHBondContact CA-O 3.44Å; L139-V200 HydrophobicContact CD1-CB 4.02Å; L139-V200 HydrophobicContact CD1-CG1 3.84Å; L139-I202 HydrophobicContact CD1-CD1 3.86Å; L139-I202 HydrophobicContact CD1-CG1 4.11Å
140	C	98.9	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	133.3	171.3	179.2	0	0	0	0	111.2	R165 A194 A198 V200 I201 I202	C140-R165 CarbonylContact C-O 3.57Å; C140-R165 WeakPolarHBondContact CA-O 3.42Å; C140-A194 VanDerWaalsContact SG-C 3.51Å; C140-A194 WeakPolarHBondContact SG-CB 3.49Å; C140-A194 PolarHBondContact SG-O 3.5Å; C140-A198 HydrophobicContact CB-CB 3.71Å; C140-V200 PolarHBondContact N-O 3.34Å; C140-I201 HydrophobicContact CB-CG1 4.23Å; C140-I201 CarbonylContact O-C 3.54Å; C140-I201 WeakPolarHBondContact O-CA 3.17Å; C140-I202 PolarHBondContact O-N 3.24Å
141	I	98.9	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.8	174.6	-53.3	179.6	0	0	0	109.4	L139 G143 A148 Y152 R165 I166 W167 F177 I202 V204	L139-I141 HydrophobicContact CD2-CD1 4.42Å; L139-I141 HydrophobicContact CD2-CG1 4.47Å; L139-I141 HydrophobicContact CG-CG1 4.32Å; I141-G143 WeakPolarHBondContact CG2-O 3.33Å; I141-A148 HydrophobicContact CG2-CB 3.95Å; I141-Y152 HydrophobicContact CD1-CD2 4.14Å; I141-R165 PolarHBondContact N-O 2.75Å; I141-I166 HydrophobicContact CB-CG1 4.39Å; I141-I166 CarbonylContact O-C 3.58Å; I141-I166 VanDerWaalsContact O-CA 3.31Å; I141-I166 WeakPolarHBondContact O-CA 3.44Å; I141-W167 PolarHBondContact O-N 2.61Å; I141-F177 HydrophobicContact CD1-CZ 4.41Å; I141-I202 HydrophobicContact CG1-CD1 4.39Å; I141-V204 HydrophobicContact CG2-CG2 4.09Å
142	L	98.9	Very high	97.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.1	172.6	-52.7	-173.6	0	0	0	108.9	W167 V191 A194 V195 I201 I202 T203 V204 T205 I211 L212	L142-W167 HydrophobicContact CB-CE3 4.39Å; L142-W167 HydrophobicContact CD2-CB 3.92Å; L142-W167 HydrophobicContact CD2-CE3 4.26Å; L142-V191 HydrophobicContact CD1-CG1 3.6Å; L142-V191 HydrophobicContact CD2-CG1 4.05Å; L142-V191 HydrophobicContact CD2-CG2 4.46Å; L142-A194 HydrophobicContact CD2-CB 4.14Å; L142-V195 HydrophobicContact CD1-CG1 4.17Å; L142-V195 HydrophobicContact CD2-CG1 4.14Å; L142-V195 HydrophobicContact CG-CG1 4.48Å; L142-I201 HydrophobicContact CD1-CG2 4.42Å; L142-I201 HydrophobicContact CG-CG2 4.41Å; L142-I202 PolarHBondContact N-O 3.19Å; L142-T203 HydrophobicContact CB-CG2 4.47Å; L142-T203 HydrophobicContact CD1-CG2 4.01Å; L142-V204 WeakPolarHBondContact O-CG2 3.21Å; L142-V204 PolarHBondContact O-N 3.27Å; L142-T205 HydrophobicContact CB-CG2 4.46Å; L142-T205 WeakPolarHBondContact O-CG2 3.45Å; L142-I211 HydrophobicContact CB-CD1 4.44Å; L142-I211 HydrophobicContact CD1-CD1 4.44Å; L142-L212 HydrophobicContact CD1-CB 4.19Å; L142-L212 HydrophobicContact CD1-CD1 4.45Å; L142-L212 HydrophobicContact CD1-CD2 4.39Å
143	G	98.3	Very high	97.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	18%	0.184	C	C	.	.			trans	114.2	150.5	-172.7	0	0	0	0	0	112.5	I141 A148 W167	I141-G143 WeakPolarHBondContact CG2-O 3.33Å; G143-A148 VanDerWaalsContact O-CB 3.25Å; G143-A148 WeakPolarHBondContact O-CB 3.5Å; G143-W167 PolarHBondContact N-O 2.86Å
144	A	97.6	Very high	97.4	Very high	14 Å²	14	31.8 Å²	31.8	12%	0.116	18%	0.181	C	C	.	.			trans	-129.7	30.6	-178.9	0	0	0	0	0	112.7	I166 N168 N173 F177	A144-I166 HydrophobicContact CB-CD1 4.03Å; A144-N168 HydrophobicContact CB-CB 3.87Å; A144-N168 PolarHBondContact N-OD1 3.42Å; A144-N168 VanDerWaalsContact N-OD1 3.16Å; A144-N173 HydrophobicContact CB-CB 4.22Å; A144-F177 HydrophobicContact CB-CB 4.21Å
145	G	94.8	Very high	97.8	Very high	36 Å²	36	27.9 Å²	27.9	37%	0.371	16%	0.155	S	C	.	.	S	Bend	trans	-91.4	-168.1	180	0	0	0	0	0	113.7	Q147 A148 Y149	G145-Q147 VanDerWaalsContact C-N 3.26Å; G145-Q147 PolarHBondContact O-N 3.43Å; G145-A148 WeakPolarHBondContact O-CB 3.39Å; G145-A148 PolarHBondContact O-N 2.84Å; G145-Y149 VanDerWaalsContact O-CD2 3.32Å; G145-Y149 WeakPolarHBondContact O-CD2 3.32Å; G145-Y149 PolarHBondContact O-N 3.18Å
146	V	95.3	Very high	98.1	Very high	99 Å²	99	24 Å²	24	60%	0.6	14%	0.137	S	C	*	.	H	α-helix	trans	-50.1	-45.6	179.2	174.2	0	0	0	0	112.4	A117 A148 Y149 S150	A117-V146 HydrophobicContact CB-CG1 3.92Å; V146-A148 PolarHBondContact O-N 3.4Å; V146-Y149 PolarHBondContact O-N 2.85Å; V146-S150 PolarHBondContact O-N 3.47Å; V146-S150 PolarHBondContact O-OG 2.87Å
147	Q	97.8	Very high	98.1	Very high	38 Å²	38	27.9 Å²	27.9	18%	0.178	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-36.3	-179.9	-67.5	-63.9	-20	0	0	112.2	G145 Y149 S150 H151 V204	G145-Q147 VanDerWaalsContact C-N 3.26Å; G145-Q147 PolarHBondContact O-N 3.43Å; Q147-Y149 VanDerWaalsContact C-N 3.27Å; Q147-Y149 PolarHBondContact O-N 3.19Å; Q147-S150 WeakPolarHBondContact CA-OG 3.33Å; Q147-S150 PolarHBondContact O-N 2.93Å; Q147-S150 PolarHBondContact O-OG 3.12Å; Q147-S150 VanDerWaalsContact O-OG 3.09Å; Q147-S150 PolarHBondContact OE1-OG 3.43Å; Q147-H151 VanDerWaalsContact O-CB 3.31Å; Q147-H151 WeakPolarHBondContact O-CB 3.38Å; Q147-H151 PolarHBondContact O-N 3.32Å; Q147-H151 PolarHBondContact O-ND1 2.79Å; Q147-H151 PolarHBondContact OE1-CE1 2.93Å; Q147-V204 HydrophobicContact CB-CB 3.8Å; Q147-V204 HydrophobicContact CB-CG1 3.62Å
148	A	98.6	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59	-40.4	175.7	0	0	0	0	0	111.7	I141 G143 G145 V146 Y152 F177 V204	I141-A148 HydrophobicContact CG2-CB 3.95Å; G143-A148 VanDerWaalsContact O-CB 3.25Å; G143-A148 WeakPolarHBondContact O-CB 3.5Å; G145-A148 WeakPolarHBondContact O-CB 3.39Å; G145-A148 PolarHBondContact O-N 2.84Å; V146-A148 PolarHBondContact O-N 3.4Å; A148-Y152 VanDerWaalsContact O-CB 3.25Å; A148-Y152 WeakPolarHBondContact O-CB 3.28Å; A148-Y152 PolarHBondContact O-N 3.05Å; A148-F177 HydrophobicContact CB-CD2 4.32Å; A148-F177 HydrophobicContact CB-CE2 3.85Å; A148-V204 HydrophobicContact CB-CG2 3.94Å
149	Y	98.5	Very high	98.1	Very high	71 Å²	71	29.9 Å²	29.9	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-67.4	-48.7	177.9	-75.5	-80.4	0	0	0	112.2	G145 V146 Q147 H151 Y152 E153 F177 T180 V181	G145-Y149 VanDerWaalsContact O-CD2 3.32Å; G145-Y149 WeakPolarHBondContact O-CD2 3.32Å; G145-Y149 PolarHBondContact O-N 3.18Å; V146-Y149 PolarHBondContact O-N 2.85Å; Q147-Y149 VanDerWaalsContact C-N 3.27Å; Q147-Y149 PolarHBondContact O-N 3.19Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 3.08Å; Y149-Y152 PolarHBondContact O-N 3.29Å; Y149-E153 WeakPolarHBondContact O-CB 3.44Å; Y149-E153 PolarHBondContact O-N 2.98Å; Y149-F177 AromaticContact CD1-CD2 3.85Å; Y149-F177 HydrophobicContact CD1-CD2 3.85Å; Y149-F177 AromaticContact CD1-CE2 3.73Å; Y149-F177 HydrophobicContact CD1-CE2 3.73Å; Y149-F177 HydrophobicContact CD2-CD2 4.02Å; Y149-F177 HydrophobicContact CD2-CE2 4.18Å; Y149-F177 AromaticContact CE1-CD2 3.61Å; Y149-F177 HydrophobicContact CE1-CD2 3.61Å; Y149-F177 AromaticContact CE1-CE2 3.97Å; Y149-F177 HydrophobicContact CE1-CE2 3.97Å; Y149-F177 HydrophobicContact CE1-CG 4.35Å; Y149-F177 AromaticContact CE2-CD2 3.77Å; Y149-F177 HydrophobicContact CE2-CD2 3.77Å; Y149-F177 HydrophobicContact CE2-CE2 4.38Å; Y149-F177 HydrophobicContact CG-CD2 4.06Å; Y149-F177 AromaticContact CG-CE2 3.86Å; Y149-F177 HydrophobicContact CG-CE2 3.86Å; Y149-F177 AromaticContact CZ-CD2 3.58Å; Y149-F177 WeakPolarHBondContact OH-CA 3.44Å; Y149-T180 HydrophobicContact CE1-CG2 3.96Å; Y149-V181 HydrophobicContact CD1-CG1 3.83Å; Y149-V181 HydrophobicContact CE1-CG1 3.84Å
150	S	98.5	Very high	98	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-37.1	179.7	49.5	0	0	0	0	112.7	A117 A121 V146 Q147 I154	A117-S150 WeakPolarHBondContact O-CB 3.42Å; A117-S150 PolarHBondContact O-OG 2.82Å; A121-S150 VanDerWaalsContact CB-C 3.48Å; A121-S150 WeakPolarHBondContact CB-O 3.37Å; V146-S150 PolarHBondContact O-N 3.47Å; V146-S150 PolarHBondContact O-OG 2.87Å; Q147-S150 WeakPolarHBondContact CA-OG 3.33Å; Q147-S150 PolarHBondContact O-N 2.93Å; Q147-S150 PolarHBondContact O-OG 3.12Å; Q147-S150 VanDerWaalsContact O-OG 3.09Å; Q147-S150 PolarHBondContact OE1-OG 3.43Å; S150-I154 PolarHBondContact O-N 2.98Å
151	H	98.8	Very high	97.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.2	-45.2	174.3	-76.6	67	0	0	0	111.1	S124 Q147 Y149 E153 I154 F155 I202	S124-H151 VanDerWaalsContact CB-NE2 3.3Å; S124-H151 WeakPolarHBondContact CB-NE2 3.43Å; S124-H151 PolarHBondContact OG-NE2 3.36Å; Q147-H151 VanDerWaalsContact O-CB 3.31Å; Q147-H151 WeakPolarHBondContact O-CB 3.38Å; Q147-H151 PolarHBondContact O-N 3.32Å; Q147-H151 PolarHBondContact O-ND1 2.79Å; Q147-H151 PolarHBondContact OE1-CE1 2.93Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 3.08Å; H151-E153 PolarHBondContact O-N 3.28Å; H151-I154 PolarHBondContact O-N 3.46Å; H151-F155 HydrophobicContact CB-CD2 4.34Å; H151-F155 HydrophobicContact CB-CE2 4.44Å; H151-F155 AromaticContact CD2-CE2 3.86Å; H151-F155 WeakPolarHBondContact O-CB 3.31Å; H151-F155 WeakPolarHBondContact O-CD2 3.49Å; H151-F155 WeakPolarHBondContact O-CG 3.25Å; H151-F155 PolarHBondContact O-N 3.27Å; H151-I202 HydrophobicContact CB-CD1 3.92Å; H151-I202 HydrophobicContact CB-CG2 4.39Å
152	Y	98.8	Very high	97.9	Very high	13 Å²	13	44.9 Å²	44.9	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-59.7	-47	176.4	179.7	-86.8	0	0	0	112.7	I141 A148 Y149 I154 F155 T156 V164 F177 V181 Q182 V185	I141-Y152 HydrophobicContact CD1-CD2 4.14Å; A148-Y152 VanDerWaalsContact O-CB 3.25Å; A148-Y152 WeakPolarHBondContact O-CB 3.28Å; A148-Y152 PolarHBondContact O-N 3.05Å; Y149-Y152 PolarHBondContact O-N 3.29Å; Y152-I154 PolarHBondContact O-N 2.92Å; Y152-F155 PolarHBondContact O-N 3.46Å; Y152-T156 HydrophobicContact CD1-CG2 4.36Å; Y152-T156 HydrophobicContact CD2-CG2 4.12Å; Y152-T156 HydrophobicContact CE1-CG2 4Å; Y152-T156 HydrophobicContact CE2-CG2 3.77Å; Y152-T156 HydrophobicContact CG-CG2 4.4Å; Y152-T156 WeakPolarHBondContact O-CB 3.34Å; Y152-T156 WeakPolarHBondContact O-CG2 3.17Å; Y152-T156 PolarHBondContact O-N 2.85Å; Y152-T156 PolarHBondContact O-OG1 2.9Å; Y152-V164 HydrophobicContact CD2-CG1 4.07Å; Y152-V164 HydrophobicContact CE2-CB 4.37Å; Y152-V164 HydrophobicContact CE2-CG1 3.88Å; Y152-V164 HydrophobicContact CE2-CG2 4.39Å; Y152-F177 HydrophobicContact CD2-CE1 4.1Å; Y152-F177 HydrophobicContact CD2-CZ 4.02Å; Y152-F177 HydrophobicContact CG-CE1 4.32Å; Y152-F177 AromaticContact CG-CZ 3.85Å; Y152-F177 HydrophobicContact CG-CZ 3.85Å; Y152-V181 HydrophobicContact CD1-CB 3.82Å; Y152-V181 HydrophobicContact CD1-CG1 3.87Å; Y152-V181 HydrophobicContact CD1-CG2 4.28Å; Y152-V181 HydrophobicContact CE1-CB 3.49Å; Y152-V181 VanDerWaalsContact CE1-CB 3.49Å; Y152-V181 HydrophobicContact CE1-CG1 4.09Å; Y152-V181 HydrophobicContact CE1-CG2 3.76Å; Y152-V181 HydrophobicContact CE2-CG2 4.18Å; Y152-V181 HydrophobicContact CG-CG1 4.38Å; Y152-Q182 WeakPolarHBondContact CE1-O 3.38Å; Y152-Q182 PolarHBondContact OH-O 3.21Å; Y152-V185 HydrophobicContact CD2-CG2 4.37Å; Y152-V185 HydrophobicContact CE2-CG2 3.51Å
153	E	98.5	Very high	97.9	Very high	84 Å²	84	47.5 Å²	47.5	39%	0.393	25%	0.252	S	S	.	.	H	α-helix	trans	-51.4	-56.1	177.7	-176.4	-173.2	172.1	0	0	110.9	K118 Y149 H151 T156 E157	K118-E153 IonicContact NZ-OE1 3.69Å; K118-E153 PolarHBondContact NZ-OE1 2.87Å; K118-E153 VanDerWaalsContact NZ-OE1 3.15Å; K118-E153 IonicContact NZ-OE2 2.75Å; Y149-E153 WeakPolarHBondContact O-CB 3.44Å; Y149-E153 PolarHBondContact O-N 2.98Å; H151-E153 PolarHBondContact O-N 3.28Å; E153-T156 PolarHBondContact O-OG1 2.85Å; E153-E157 WeakPolarHBondContact O-CB 3.15Å; E153-E157 PolarHBondContact O-N 3.08Å
154	I	98.6	Very high	97.9	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-75.5	-33.9	-176.8	-157.1	-177.7	0	0	0	113	S20 I24 A121 A122 A125 S150 H151 Y152 E157 Q158	S20-I154 WeakPolarHBondContact OG-CB 3.39Å; S20-I154 WeakPolarHBondContact OG-CD1 3.49Å; S20-I154 WeakPolarHBondContact OG-CG1 3.3Å; I24-I154 HydrophobicContact CD1-CD1 3.96Å; I24-I154 HydrophobicContact CG1-CD1 4.22Å; A121-I154 HydrophobicContact CB-CG2 3.8Å; A122-I154 HydrophobicContact CB-CD1 3.94Å; A125-I154 HydrophobicContact CB-CD1 3.98Å; A125-I154 HydrophobicContact CB-CG1 4.44Å; A125-I154 HydrophobicContact CB-CG2 4.13Å; S150-I154 PolarHBondContact O-N 2.98Å; H151-I154 PolarHBondContact O-N 3.46Å; Y152-I154 PolarHBondContact O-N 2.92Å; I154-E157 PolarHBondContact O-N 3.46Å; I154-Q158 HydrophobicContact CG1-CG 3.84Å; I154-Q158 VanDerWaalsContact O-CB 3.29Å; I154-Q158 WeakPolarHBondContact O-CB 3.49Å; I154-Q158 WeakPolarHBondContact O-CG 3.41Å; I154-Q158 PolarHBondContact O-N 2.86Å
155	F	98.7	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-70	-36.1	-177.8	-85.2	-119.4	0	0	0	111.5	A125 T128 L139 H151 Y152 F159 F161 V200 I202	A125-F155 HydrophobicContact CB-CD2 4.45Å; A125-F155 HydrophobicContact CB-CE2 4.09Å; T128-F155 HydrophobicContact CG2-CE1 3.84Å; T128-F155 VanDerWaalsContact OG1-CE1 3.3Å; T128-F155 WeakPolarHBondContact OG1-CE1 3.42Å; T128-F155 VanDerWaalsContact OG1-CZ 3.32Å; T128-F155 WeakPolarHBondContact OG1-CZ 3.33Å; L139-F155 HydrophobicContact CD1-CD1 4.05Å; L139-F155 HydrophobicContact CD1-CE1 4.49Å; L139-F155 HydrophobicContact CD2-CB 4.02Å; L139-F155 HydrophobicContact CD2-CD1 4.3Å; H151-F155 HydrophobicContact CB-CD2 4.34Å; H151-F155 HydrophobicContact CB-CE2 4.44Å; H151-F155 AromaticContact CD2-CE2 3.86Å; H151-F155 WeakPolarHBondContact O-CB 3.31Å; H151-F155 WeakPolarHBondContact O-CD2 3.49Å; H151-F155 WeakPolarHBondContact O-CG 3.25Å; H151-F155 PolarHBondContact O-N 3.27Å; Y152-F155 PolarHBondContact O-N 3.46Å; F155-F159 HydrophobicContact CB-CD2 4.29Å; F155-F159 AromaticContact CD1-CD2 3.96Å; F155-F159 HydrophobicContact CD1-CD2 3.96Å; F155-F159 HydrophobicContact CD1-CE2 4.07Å; F155-F159 HydrophobicContact CE1-CE2 4.3Å; F155-F159 HydrophobicContact CG-CD2 4.2Å; F155-F159 HydrophobicContact CG-CE2 4.32Å; F155-F159 WeakPolarHBondContact O-CA 3.48Å; F155-F159 WeakPolarHBondContact O-CB 3.48Å; F155-F159 WeakPolarHBondContact O-CD2 3.04Å; F155-F159 PolarHBondContact O-N 3.25Å; F155-F161 HydrophobicContact CB-CE2 4.35Å; F155-F161 HydrophobicContact CD1-CE2 4.19Å; F155-F161 HydrophobicContact CD1-CZ 4.39Å; F155-V200 HydrophobicContact CE1-CG1 3.96Å; F155-I202 HydrophobicContact CD1-CD1 3.81Å; F155-I202 HydrophobicContact CD2-CD1 4.13Å; F155-I202 HydrophobicContact CE1-CD1 3.6Å; F155-I202 HydrophobicContact CE1-CG1 4.21Å; F155-I202 HydrophobicContact CE2-CD1 3.95Å; F155-I202 HydrophobicContact CG-CD1 4.07Å; F155-I202 HydrophobicContact CZ-CD1 3.67Å; F155-I202 HydrophobicContact CZ-CG1 4.3Å
156	T	97.9	Very high	98.2	Very high	61 Å²	61	46.7 Å²	46.7	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-76.3	-23.8	174.5	55.7	0	0	0	0	113.1	Y152 E153	Y152-T156 HydrophobicContact CD1-CG2 4.36Å; Y152-T156 HydrophobicContact CD2-CG2 4.12Å; Y152-T156 HydrophobicContact CE1-CG2 4Å; Y152-T156 HydrophobicContact CE2-CG2 3.77Å; Y152-T156 HydrophobicContact CG-CG2 4.4Å; Y152-T156 WeakPolarHBondContact O-CB 3.34Å; Y152-T156 WeakPolarHBondContact O-CG2 3.17Å; Y152-T156 PolarHBondContact O-N 2.85Å; Y152-T156 PolarHBondContact O-OG1 2.9Å; E153-T156 PolarHBondContact O-OG1 2.85Å
157	E	97.5	Very high	98.4	Very high	93 Å²	93	44 Å²	44	44%	0.435	22%	0.215	S	C	.	.	H	α-helix	trans	-74	-41.2	169.8	-174.6	-174.5	170.5	0	0	111.9	S19 S21 E153 I154	S19-E157 PolarHBondContact OG-OE1 2.96Å; S19-E157 PolarHBondContact OG-OE2 3.24Å; S21-E157 VanDerWaalsContact CB-OE1 3.26Å; S21-E157 WeakPolarHBondContact CB-OE1 3.32Å; S21-E157 PolarHBondContact OG-OE1 3.29Å; E153-E157 WeakPolarHBondContact O-CB 3.15Å; E153-E157 PolarHBondContact O-N 3.08Å; I154-E157 PolarHBondContact O-N 3.46Å
158	Q	97.9	Very high	98.4	Very high	79 Å²	79	43.5 Å²	43.5	37%	0.369	21%	0.214	S	C	.	.	H	α-helix	trans	-91.9	-25	-171.1	-65	-58.9	-63	0	0	114.3	I24 I154	I24-Q158 HydrophobicContact CD1-CG 3.92Å; I154-Q158 HydrophobicContact CG1-CG 3.84Å; I154-Q158 VanDerWaalsContact O-CB 3.29Å; I154-Q158 WeakPolarHBondContact O-CB 3.49Å; I154-Q158 WeakPolarHBondContact O-CG 3.41Å; I154-Q158 PolarHBondContact O-N 2.86Å
159	F	97.8	Very high	98.3	Very high	32 Å²	32	51 Å²	51	14%	0.14	24%	0.242	C	C	.	.			trans	-133.1	151.2	-173.4	-49.2	-67	0	0	0	111.3	A125 T128 K129 K132 F155 F161	A125-F159 HydrophobicContact CB-CE2 4.28Å; A125-F159 WeakPolarHBondContact O-CZ 3.45Å; T128-F159 HydrophobicContact CG2-CD2 4.36Å; T128-F159 HydrophobicContact CG2-CE1 4.46Å; T128-F159 HydrophobicContact CG2-CE2 3.78Å; T128-F159 HydrophobicContact CG2-CZ 3.84Å; K129-F159 HydrophobicContact CB-CE1 4.32Å; K129-F159 HydrophobicContact CB-CZ 4.25Å; K132-F159 HydrophobicContact CD-CD1 4.36Å; K132-F159 HydrophobicContact CD-CE1 4.35Å; F155-F159 HydrophobicContact CB-CD2 4.29Å; F155-F159 AromaticContact CD1-CD2 3.96Å; F155-F159 HydrophobicContact CD1-CD2 3.96Å; F155-F159 HydrophobicContact CD1-CE2 4.07Å; F155-F159 HydrophobicContact CE1-CE2 4.3Å; F155-F159 HydrophobicContact CG-CD2 4.2Å; F155-F159 HydrophobicContact CG-CE2 4.32Å; F155-F159 WeakPolarHBondContact O-CA 3.48Å; F155-F159 WeakPolarHBondContact O-CB 3.48Å; F155-F159 WeakPolarHBondContact O-CD2 3.04Å; F155-F159 PolarHBondContact O-N 3.25Å; F159-F161 HydrophobicContact CB-CD2 4.09Å; F159-F161 HydrophobicContact CB-CE2 3.54Å; F159-F161 HydrophobicContact CB-CZ 3.93Å; F159-F161 HydrophobicContact CD2-CE2 4.1Å; F159-F161 HydrophobicContact CD2-CZ 4.31Å; F159-F161 HydrophobicContact CG-CE2 4.19Å; F159-F161 HydrophobicContact CG-CZ 4.32Å
160	S	96.7	Very high	98.2	Very high	118 Å²	118	49.8 Å²	49.8	83%	0.825	24%	0.242	S	C	*	.			trans	-107.5	86.7	179	-56.1	0	0	0	0	110.5
161	F	98.4	Very high	98.1	Very high	35 Å²	35	55.1 Å²	55.1	15%	0.154	26%	0.261	C	S	.	.			trans	-82.8	141.4	172.7	-61.4	-74.7	0	0	0	110.6	D137 L139 F155 F159 V164 V200	D137-F161 CarbonylContact O-C 3.59Å; D137-F161 WeakPolarHBondContact O-CA 3.16Å; L139-F161 HydrophobicContact CB-CB 4.31Å; L139-F161 HydrophobicContact CB-CD1 3.82Å; L139-F161 HydrophobicContact CB-CD2 3.72Å; L139-F161 HydrophobicContact CB-CE1 3.99Å; L139-F161 HydrophobicContact CB-CE2 3.89Å; L139-F161 HydrophobicContact CB-CG 3.67Å; L139-F161 HydrophobicContact CB-CZ 4.03Å; L139-F161 HydrophobicContact CD1-CE2 4.38Å; L139-F161 HydrophobicContact CD1-CZ 4.29Å; L139-F161 HydrophobicContact CD2-CD2 3.95Å; L139-F161 HydrophobicContact CD2-CE2 3.85Å; L139-F161 HydrophobicContact CG-CD2 4.4Å; L139-F161 HydrophobicContact CG-CE2 4.26Å; F155-F161 HydrophobicContact CB-CE2 4.35Å; F155-F161 HydrophobicContact CD1-CE2 4.19Å; F155-F161 HydrophobicContact CD1-CZ 4.39Å; F159-F161 HydrophobicContact CB-CD2 4.09Å; F159-F161 HydrophobicContact CB-CE2 3.54Å; F159-F161 HydrophobicContact CB-CZ 3.93Å; F159-F161 HydrophobicContact CD2-CE2 4.1Å; F159-F161 HydrophobicContact CD2-CZ 4.31Å; F159-F161 HydrophobicContact CG-CE2 4.19Å; F159-F161 HydrophobicContact CG-CZ 4.32Å; F161-V164 HydrophobicContact CB-CG2 4.33Å; F161-V200 HydrophobicContact CE1-CB 4.15Å; F161-V200 HydrophobicContact CE1-CG2 3.92Å; F161-V200 HydrophobicContact CZ-CB 4.19Å; F161-V200 HydrophobicContact CZ-CG2 4.08Å
162	K	98.5	Very high	98.1	Very high	163 Å²	163	61 Å²	61	71%	0.709	29%	0.289	S	S	*	.	S	Bend	trans	-76.8	-28.6	172.1	-65.2	-179.5	-175.1	149.9	0	112.2	D137	D137-K162 HydrophobicContact CB-CB 4.33Å; D137-K162 HydrophobicContact CB-CD 4.02Å; D137-K162 HydrophobicContact CB-CG 4.21Å; D137-K162 VanDerWaalsContact CG-CD 3.5Å; D137-K162 PolarHBondContact O-N 2.93Å; D137-K162 VanDerWaalsContact OD1-CD 3.32Å; D137-K162 WeakPolarHBondContact OD1-CD 3.25Å; D137-K162 WeakPolarHBondContact OD1-CE 3.42Å; D137-K162 IonicContact OD1-NZ 3.22Å; D137-K162 PolarHBondContact OD1-NZ 2.91Å; D137-K162 IonicContact OD2-NZ 2.68Å; D137-K162 PolarHBondContact OD2-NZ 2.65Å
163	E	98.8	Very high	98	Very high	54 Å²	54	63.8 Å²	63.8	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	134.6	178	-170.1	-175	174.4	0	0	110	D137 V138 L139 R165 R186	D137-E163 PolarHBondContact O-N 2.96Å; V138-E163 WeakPolarHBondContact CA-O 3.44Å; V138-E163 HydrophobicContact CG2-CB 4.35Å; L139-E163 PolarHBondContact N-O 3.04Å; E163-R165 HydrophobicContact CG-CG 4.12Å; E163-R165 IonicContact OE1-CZ 3.13Å; E163-R165 IonicContact OE1-NE 3.67Å; E163-R165 PolarHBondContact OE1-NE 3.27Å; E163-R165 IonicContact OE1-NH2 2.74Å; E163-R165 IonicContact OE2-CZ 2.66Å; E163-R165 IonicContact OE2-NE 3.72Å; E163-R165 PolarHBondContact OE2-NE 3Å; E163-R165 IonicContact OE2-NH2 3.57Å; E163-R165 PolarHBondContact OE2-NH2 3.38Å; E163-R186 WeakPolarHBondContact OE1-CD 3.29Å; E163-R186 IonicContact OE1-NH1 3.78Å; E163-R186 PolarHBondContact OE1-NH1 3.24Å
164	V	98.9	Very high	98	Very high	12 Å²	12	59.8 Å²	59.8	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.3	167.8	-173.9	0	0	0	0	109.1	L139 Y152 F161 V185 R186	L139-V164 HydrophobicContact CB-CG1 4.38Å; L139-V164 HydrophobicContact CB-CG2 4.34Å; L139-V164 HydrophobicContact CD2-CG1 4.03Å; L139-V164 HydrophobicContact CD2-CG2 4.36Å; L139-V164 HydrophobicContact CG-CG1 4.24Å; L139-V164 CarbonylContact O-C 3.53Å; L139-V164 WeakPolarHBondContact O-CA 3.24Å; Y152-V164 HydrophobicContact CD2-CG1 4.07Å; Y152-V164 HydrophobicContact CE2-CB 4.37Å; Y152-V164 HydrophobicContact CE2-CG1 3.88Å; Y152-V164 HydrophobicContact CE2-CG2 4.39Å; F161-V164 HydrophobicContact CB-CG2 4.33Å; V164-V185 HydrophobicContact CB-CG2 4.42Å; V164-V185 HydrophobicContact CG1-CG1 4.38Å; V164-V185 HydrophobicContact CG1-CG2 4.32Å; V164-V185 WeakPolarHBondContact O-CA 3.41Å; V164-R186 PolarHBondContact O-N 2.86Å
165	R	98.9	Very high	98	Very high	23 Å²	23	63.9 Å²	63.9	9%	0.087	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	147.3	-179.4	-59.7	175.1	-175.7	160.9	7.6	110.3	L139 C140 I141 E163 R186 A194 T196	L139-R165 PolarHBondContact O-N 3.3Å; C140-R165 CarbonylContact C-O 3.57Å; C140-R165 WeakPolarHBondContact CA-O 3.42Å; I141-R165 PolarHBondContact N-O 2.75Å; E163-R165 HydrophobicContact CG-CG 4.12Å; E163-R165 IonicContact OE1-CZ 3.13Å; E163-R165 IonicContact OE1-NE 3.67Å; E163-R165 PolarHBondContact OE1-NE 3.27Å; E163-R165 IonicContact OE1-NH2 2.74Å; E163-R165 IonicContact OE2-CZ 2.66Å; E163-R165 IonicContact OE2-NE 3.72Å; E163-R165 PolarHBondContact OE2-NE 3Å; E163-R165 IonicContact OE2-NH2 3.57Å; E163-R165 PolarHBondContact OE2-NH2 3.38Å; R165-R186 CarbonylContact C-O 3.5Å; R165-R186 WeakPolarHBondContact CA-O 3.18Å; R165-R186 HydrophobicContact CG-CB 4.34Å; R165-A194 WeakPolarHBondContact CD-O 3.26Å; R165-A194 PolarHBondContact NH1-O 2.89Å; R165-T196 PolarHBondContact NH1-O 2.99Å
166	I	98.9	Very high	98	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.4	172.5	-168.3	167.1	0	0	0	111.2	I141 A144 A174 F177 V185 R186 V187 C188	I141-I166 HydrophobicContact CB-CG1 4.39Å; I141-I166 CarbonylContact O-C 3.58Å; I141-I166 VanDerWaalsContact O-CA 3.31Å; I141-I166 WeakPolarHBondContact O-CA 3.44Å; A144-I166 HydrophobicContact CB-CD1 4.03Å; I166-A174 HydrophobicContact CG1-CB 4.43Å; I166-A174 HydrophobicContact CG2-CB 4.1Å; I166-F177 HydrophobicContact CD1-CB 3.87Å; I166-F177 HydrophobicContact CD1-CD1 3.26Å; I166-F177 HydrophobicContact CD1-CD2 4.01Å; I166-F177 HydrophobicContact CD1-CE1 3.71Å; I166-F177 HydrophobicContact CD1-CE2 4.38Å; I166-F177 HydrophobicContact CD1-CG 3.43Å; I166-F177 VanDerWaalsContact CD1-CG 3.43Å; I166-F177 HydrophobicContact CD1-CZ 4.24Å; I166-V185 HydrophobicContact CB-CG1 3.84Å; I166-V185 HydrophobicContact CG2-CG1 3.5Å; I166-V185 VanDerWaalsContact CG2-CG1 3.5Å; I166-R186 PolarHBondContact N-O 3.44Å; I166-V187 HydrophobicContact CG2-CB 4.44Å; I166-V187 HydrophobicContact CG2-CG2 3.96Å; I166-C188 PolarHBondContact O-N 3.35Å
167	W	98.9	Very high	98	Very high	41 Å²	41	67.3 Å²	67.3	16%	0.155	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	144.3	163.2	173.3	88.3	0	0	0	109.6	I141 L142 G143 R169 S190 V191 A194 I211	I141-W167 PolarHBondContact O-N 2.61Å; L142-W167 HydrophobicContact CB-CE3 4.39Å; L142-W167 HydrophobicContact CD2-CB 3.92Å; L142-W167 HydrophobicContact CD2-CE3 4.26Å; G143-W167 PolarHBondContact N-O 2.86Å; W167-R169 HydrophobicContact CH2-CB 4.21Å; W167-S190 VanDerWaalsContact CD1-CA 3.49Å; W167-V191 HydrophobicContact CD2-CG2 3.5Å; W167-V191 VanDerWaalsContact CD2-CG2 3.5Å; W167-V191 HydrophobicContact CE3-CG2 3.49Å; W167-V191 VanDerWaalsContact CE3-CG2 3.49Å; W167-V191 HydrophobicContact CG-CG2 4.19Å; W167-V191 HydrophobicContact CH2-CG2 3.76Å; W167-V191 HydrophobicContact CZ2-CG2 3.8Å; W167-V191 HydrophobicContact CZ3-CG2 3.62Å; W167-A194 HydrophobicContact CB-CB 3.88Å; W167-I211 HydrophobicContact CZ3-CD1 4.15Å
168	N	98.6	Very high	98.1	Very high	29 Å²	29	63.9 Å²	63.9	16%	0.155	30%	0.303	C	S	.	.			trans	-145.4	146.2	169.9	-173.3	69.4	0	0	0	109.7	A144 T170 A174	A144-N168 HydrophobicContact CB-CB 3.87Å; A144-N168 PolarHBondContact N-OD1 3.42Å; A144-N168 VanDerWaalsContact N-OD1 3.16Å; N168-T170 PolarHBondContact ND2-N 3.06Å; N168-T170 VanDerWaalsContact ND2-N 3.14Å; N168-T170 PolarHBondContact ND2-O 3.07Å; N168-T170 PolarHBondContact O-N 3.48Å; N168-T170 VanDerWaalsContact O-N 3.16Å; N168-A174 HydrophobicContact CB-CB 3.86Å
169	R	96.3	Very high	98.1	Very high	157 Å²	157	64.8 Å²	64.8	59%	0.592	32%	0.318	S	S	*	.	S	Bend	trans	-50.7	-40.6	177.2	-179.4	179.2	65.2	-161.6	-3.1	113	N85 W167	N85-R169 PolarHBondContact ND2-NH2 3.01Å; N85-R169 VanDerWaalsContact ND2-NH2 3.19Å; N85-R169 PolarHBondContact OD1-NH2 3.09Å; W167-R169 HydrophobicContact CH2-CB 4.21Å
170	T	95.9	Very high	98.1	Very high	46 Å²	46	67.4 Å²	67.4	28%	0.282	34%	0.336	S	S	.	.	S	Bend	trans	-99.9	105.6	173.2	-55.2	0	0	0	0	107.8	N168 E172 N173	N168-T170 PolarHBondContact ND2-N 3.06Å; N168-T170 VanDerWaalsContact ND2-N 3.14Å; N168-T170 PolarHBondContact ND2-O 3.07Å; N168-T170 PolarHBondContact O-N 3.48Å; N168-T170 VanDerWaalsContact O-N 3.16Å; T170-E172 VanDerWaalsContact C-N 3.26Å; T170-E172 HydrophobicContact CG2-CB 4.45Å; T170-E172 WeakPolarHBondContact CG2-OE2 3.35Å; T170-E172 PolarHBondContact O-N 3.18Å; T170-N173 WeakPolarHBondContact O-CB 3.26Å; T170-N173 PolarHBondContact O-N 3.43Å; T170-N173 VanDerWaalsContact O-N 3.11Å
171	R	97.5	Very high	98.2	Very high	117 Å²	117	62.9 Å²	62.9	44%	0.442	30%	0.304	S	S	.	.	H	α-helix	trans	-58.8	-38.5	-172.5	-177.4	179.7	177.1	114.1	4.9	112.2	N173 A174 E175 V187	R171-N173 PolarHBondContact O-N 2.97Å; R171-A174 WeakPolarHBondContact O-CA 3.19Å; R171-A174 WeakPolarHBondContact O-CB 3.43Å; R171-A174 PolarHBondContact O-N 2.82Å; R171-E175 HydrophobicContact CG-CG 4.4Å; R171-E175 IonicContact CZ-OE1 2.87Å; R171-E175 IonicContact NE-OE1 3.17Å; R171-E175 PolarHBondContact NE-OE1 3.04Å; R171-E175 IonicContact NH2-OE1 2.7Å; R171-E175 PolarHBondContact O-N 3.24Å; R171-V187 HydrophobicContact CG-CG1 4.47Å
172	E	97.9	Very high	98.1	Very high	123 Å²	123	69.9 Å²	69.9	58%	0.575	34%	0.337	S	S	*	.	H	α-helix	trans	-58.7	-33.5	-180	-60	75	-166.5	0	0	111.6	T170 K176	T170-E172 VanDerWaalsContact C-N 3.26Å; T170-E172 HydrophobicContact CG2-CB 4.45Å; T170-E172 WeakPolarHBondContact CG2-OE2 3.35Å; T170-E172 PolarHBondContact O-N 3.18Å; E172-K176 VanDerWaalsContact O-CB 3.32Å; E172-K176 WeakPolarHBondContact O-CB 3.45Å; E172-K176 PolarHBondContact O-N 2.87Å
173	N	96.8	Very high	98	Very high	72 Å²	72	64.3 Å²	64.3	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-73.4	-33	175.8	-69.6	-23.5	0	0	0	112.1	A144 T170 R171 F177	A144-N173 HydrophobicContact CB-CB 4.22Å; T170-N173 WeakPolarHBondContact O-CB 3.26Å; T170-N173 PolarHBondContact O-N 3.43Å; T170-N173 VanDerWaalsContact O-N 3.11Å; R171-N173 PolarHBondContact O-N 2.97Å; N173-F177 WeakPolarHBondContact O-CB 3.35Å; N173-F177 PolarHBondContact O-N 2.99Å
174	A	98.4	Very high	98	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-69.6	-38.3	173	0	0	0	0	0	111.6	I166 N168 R171 F177 A178 V187	I166-A174 HydrophobicContact CG1-CB 4.43Å; I166-A174 HydrophobicContact CG2-CB 4.1Å; N168-A174 HydrophobicContact CB-CB 3.86Å; R171-A174 WeakPolarHBondContact O-CA 3.19Å; R171-A174 WeakPolarHBondContact O-CB 3.43Å; R171-A174 PolarHBondContact O-N 2.82Å; A174-F177 WeakPolarHBondContact O-CB 3.4Å; A174-F177 PolarHBondContact O-N 2.73Å; A174-A178 WeakPolarHBondContact O-CB 3.46Å; A174-A178 PolarHBondContact O-N 2.75Å; A174-V187 HydrophobicContact CB-CG1 3.89Å
175	E	98.5	Very high	98	Very high	86 Å²	86	69.7 Å²	69.7	40%	0.402	36%	0.356	S	S	.	.	H	α-helix	trans	-68	-40.6	174.3	-68	173.6	175	0	0	111.8	R171 F177 A178 S179 V187	R171-E175 HydrophobicContact CG-CG 4.4Å; R171-E175 IonicContact CZ-OE1 2.87Å; R171-E175 IonicContact NE-OE1 3.17Å; R171-E175 PolarHBondContact NE-OE1 3.04Å; R171-E175 IonicContact NH2-OE1 2.7Å; R171-E175 PolarHBondContact O-N 3.24Å; E175-F177 VanDerWaalsContact C-N 3.32Å; E175-F177 PolarHBondContact O-N 3.35Å; E175-A178 PolarHBondContact O-N 3.31Å; E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.46Å; E175-S179 PolarHBondContact O-OG 2.68Å; E175-V187 HydrophobicContact CG-CG1 4.17Å; E175-V187 HydrophobicContact CG-CG2 4.24Å
176	K	98.4	Very high	98	Very high	132 Å²	132	74 Å²	74	57%	0.574	37%	0.373	S	S	*	.	H	α-helix	trans	-60.3	-43	170.6	-175.3	179.2	179.3	-177.5	0	111.5	E172 S179 T180	E172-K176 VanDerWaalsContact O-CB 3.32Å; E172-K176 WeakPolarHBondContact O-CB 3.45Å; E172-K176 PolarHBondContact O-N 2.87Å; K176-S179 WeakPolarHBondContact CA-OG 3.4Å; K176-S179 PolarHBondContact O-N 3.07Å; K176-S179 PolarHBondContact O-OG 2.98Å; K176-S179 VanDerWaalsContact O-OG 3.09Å; K176-T180 VanDerWaalsContact O-CB 3.29Å; K176-T180 WeakPolarHBondContact O-CB 3.4Å; K176-T180 PolarHBondContact O-N 3Å; K176-T180 PolarHBondContact O-OG1 2.54Å
177	F	98.6	Very high	98	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-58.4	-55.6	175	178.2	-81.7	0	0	0	111.1	I141 A144 A148 Y149 Y152 I166 N173 A174 E175 S179 T180 V181 V185	I141-F177 HydrophobicContact CD1-CZ 4.41Å; A144-F177 HydrophobicContact CB-CB 4.21Å; A148-F177 HydrophobicContact CB-CD2 4.32Å; A148-F177 HydrophobicContact CB-CE2 3.85Å; Y149-F177 AromaticContact CD1-CD2 3.85Å; Y149-F177 HydrophobicContact CD1-CD2 3.85Å; Y149-F177 AromaticContact CD1-CE2 3.73Å; Y149-F177 HydrophobicContact CD1-CE2 3.73Å; Y149-F177 HydrophobicContact CD2-CD2 4.02Å; Y149-F177 HydrophobicContact CD2-CE2 4.18Å; Y149-F177 AromaticContact CE1-CD2 3.61Å; Y149-F177 HydrophobicContact CE1-CD2 3.61Å; Y149-F177 AromaticContact CE1-CE2 3.97Å; Y149-F177 HydrophobicContact CE1-CE2 3.97Å; Y149-F177 HydrophobicContact CE1-CG 4.35Å; Y149-F177 AromaticContact CE2-CD2 3.77Å; Y149-F177 HydrophobicContact CE2-CD2 3.77Å; Y149-F177 HydrophobicContact CE2-CE2 4.38Å; Y149-F177 HydrophobicContact CG-CD2 4.06Å; Y149-F177 AromaticContact CG-CE2 3.86Å; Y149-F177 HydrophobicContact CG-CE2 3.86Å; Y149-F177 AromaticContact CZ-CD2 3.58Å; Y149-F177 WeakPolarHBondContact OH-CA 3.44Å; Y152-F177 HydrophobicContact CD2-CE1 4.1Å; Y152-F177 HydrophobicContact CD2-CZ 4.02Å; Y152-F177 HydrophobicContact CG-CE1 4.32Å; Y152-F177 AromaticContact CG-CZ 3.85Å; Y152-F177 HydrophobicContact CG-CZ 3.85Å; I166-F177 HydrophobicContact CD1-CB 3.87Å; I166-F177 HydrophobicContact CD1-CD1 3.26Å; I166-F177 HydrophobicContact CD1-CD2 4.01Å; I166-F177 HydrophobicContact CD1-CE1 3.71Å; I166-F177 HydrophobicContact CD1-CE2 4.38Å; I166-F177 HydrophobicContact CD1-CG 3.43Å; I166-F177 VanDerWaalsContact CD1-CG 3.43Å; I166-F177 HydrophobicContact CD1-CZ 4.24Å; N173-F177 WeakPolarHBondContact O-CB 3.35Å; N173-F177 PolarHBondContact O-N 2.99Å; A174-F177 WeakPolarHBondContact O-CB 3.4Å; A174-F177 PolarHBondContact O-N 2.73Å; E175-F177 VanDerWaalsContact C-N 3.32Å; E175-F177 PolarHBondContact O-N 3.35Å; F177-S179 PolarHBondContact O-N 3.12Å; F177-T180 PolarHBondContact O-N 2.84Å; F177-V181 HydrophobicContact CD1-CG1 4.26Å; F177-V181 HydrophobicContact CD1-CG2 4.33Å; F177-V181 HydrophobicContact CD2-CG1 4.38Å; F177-V181 HydrophobicContact CE1-CG1 3.91Å; F177-V181 HydrophobicContact CE1-CG2 4.05Å; F177-V181 HydrophobicContact CE2-CG1 4.03Å; F177-V181 HydrophobicContact CG-CG1 4.48Å; F177-V181 HydrophobicContact CZ-CG1 3.79Å; F177-V181 WeakPolarHBondContact O-CG2 3.18Å; F177-V181 PolarHBondContact O-N 2.97Å; F177-V181 VanDerWaalsContact O-N 3.11Å; F177-V185 HydrophobicContact CE1-CG1 4.43Å; F177-V185 HydrophobicContact CE1-CG2 4.38Å
178	A	98.6	Very high	98	Very high	22 Å²	22	73.8 Å²	73.8	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-59.4	-33.1	-177.4	0	0	0	0	0	112.9	A174 E175 V185 V187	A174-A178 WeakPolarHBondContact O-CB 3.46Å; A174-A178 PolarHBondContact O-N 2.75Å; E175-A178 PolarHBondContact O-N 3.31Å; A178-V185 HydrophobicContact CB-CB 3.94Å; A178-V185 HydrophobicContact CB-CG1 4.34Å; A178-V187 HydrophobicContact CB-CG2 3.73Å
179	S	98.3	Very high	98	Very high	97 Å²	97	76.2 Å²	76.2	68%	0.678	40%	0.395	S	S	*	.	H	α-helix	trans	-82.4	-18.1	176.3	53.9	0	0	0	0	114.6	E175 K176 F177	E175-S179 WeakPolarHBondContact O-CB 3.4Å; E175-S179 PolarHBondContact O-N 3.46Å; E175-S179 PolarHBondContact O-OG 2.68Å; K176-S179 WeakPolarHBondContact CA-OG 3.4Å; K176-S179 PolarHBondContact O-N 3.07Å; K176-S179 PolarHBondContact O-OG 2.98Å; K176-S179 VanDerWaalsContact O-OG 3.09Å; F177-S179 PolarHBondContact O-N 3.12Å
180	T	98.5	Very high	98.1	Very high	87 Å²	87	70.9 Å²	70.9	53%	0.534	38%	0.382	S	S	.	.	H	α-helix	trans	-89.7	-35.6	-178.5	-59.4	0	0	0	0	112.1	Y149 K176 F177	Y149-T180 HydrophobicContact CE1-CG2 3.96Å; K176-T180 VanDerWaalsContact O-CB 3.29Å; K176-T180 WeakPolarHBondContact O-CB 3.4Å; K176-T180 PolarHBondContact O-N 3Å; K176-T180 PolarHBondContact O-OG1 2.54Å; F177-T180 PolarHBondContact O-N 2.84Å
181	V	98.4	Very high	98.2	Very high	23 Å²	23	69.3 Å²	69.3	14%	0.139	37%	0.372	C	S	.	.	S	Bend	trans	-79.5	156.7	-176.3	-59.9	0	0	0	0	111.9	Y149 Y152 F177 V185	Y149-V181 HydrophobicContact CD1-CG1 3.83Å; Y149-V181 HydrophobicContact CE1-CG1 3.84Å; Y152-V181 HydrophobicContact CD1-CB 3.82Å; Y152-V181 HydrophobicContact CD1-CG1 3.87Å; Y152-V181 HydrophobicContact CD1-CG2 4.28Å; Y152-V181 HydrophobicContact CE1-CB 3.49Å; Y152-V181 VanDerWaalsContact CE1-CB 3.49Å; Y152-V181 HydrophobicContact CE1-CG1 4.09Å; Y152-V181 HydrophobicContact CE1-CG2 3.76Å; Y152-V181 HydrophobicContact CE2-CG2 4.18Å; Y152-V181 HydrophobicContact CG-CG1 4.38Å; F177-V181 HydrophobicContact CD1-CG1 4.26Å; F177-V181 HydrophobicContact CD1-CG2 4.33Å; F177-V181 HydrophobicContact CD2-CG1 4.38Å; F177-V181 HydrophobicContact CE1-CG1 3.91Å; F177-V181 HydrophobicContact CE1-CG2 4.05Å; F177-V181 HydrophobicContact CE2-CG1 4.03Å; F177-V181 HydrophobicContact CG-CG1 4.48Å; F177-V181 HydrophobicContact CZ-CG1 3.79Å; F177-V181 WeakPolarHBondContact O-CG2 3.18Å; F177-V181 PolarHBondContact O-N 2.97Å; F177-V181 VanDerWaalsContact O-N 3.11Å; V181-V185 HydrophobicContact CG2-CG2 3.71Å
182	Q	96.5	Very high	98.3	Very high	182 Å²	182	68.4 Å²	68.4	85%	0.85	37%	0.373	S	S	*	.	S	Bend	trans	-83.8	126.9	173	-177.3	179.5	-9.2	0	0	109.9	Y152	Y152-Q182 WeakPolarHBondContact CE1-O 3.38Å; Y152-Q182 PolarHBondContact OH-O 3.21Å
183	G	97.1	Very high	98.3	Very high	46 Å²	46	65.2 Å²	65.2	47%	0.474	36%	0.358	S	S	.	.	S	Bend	trans	107.9	164.8	-178.6	0	0	0	0	0	112.7
184	D	97.9	Very high	98.4	Very high	160 Å²	160	61.8 Å²	61.8	86%	0.856	34%	0.34	S	S	*	.			trans	-82.2	126.3	-176.9	-66.4	-38.7	0	0	0	111.1
185	V	98.8	Very high	98.5	Very high	19 Å²	19	61.8 Å²	61.8	12%	0.115	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.7	175.2	-177.1	0	0	0	0	109.8	Y152 V164 I166 F177 A178 V181 V187	Y152-V185 HydrophobicContact CD2-CG2 4.37Å; Y152-V185 HydrophobicContact CE2-CG2 3.51Å; V164-V185 HydrophobicContact CB-CG2 4.42Å; V164-V185 HydrophobicContact CG1-CG1 4.38Å; V164-V185 HydrophobicContact CG1-CG2 4.32Å; V164-V185 WeakPolarHBondContact O-CA 3.41Å; I166-V185 HydrophobicContact CB-CG1 3.84Å; I166-V185 HydrophobicContact CG2-CG1 3.5Å; I166-V185 VanDerWaalsContact CG2-CG1 3.5Å; F177-V185 HydrophobicContact CE1-CG1 4.43Å; F177-V185 HydrophobicContact CE1-CG2 4.38Å; A178-V185 HydrophobicContact CB-CB 3.94Å; A178-V185 HydrophobicContact CB-CG1 4.34Å; V181-V185 HydrophobicContact CG2-CG2 3.71Å; V185-V187 PolarHBondContact O-N 3.41Å
186	R	98.8	Very high	98.5	Very high	115 Å²	115	61.3 Å²	61.3	43%	0.434	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.9	175	-179.8	-177	171.5	-175.4	-4.8	110.3	E163 V164 R165 I166 E193	E163-R186 WeakPolarHBondContact OE1-CD 3.29Å; E163-R186 IonicContact OE1-NH1 3.78Å; E163-R186 PolarHBondContact OE1-NH1 3.24Å; V164-R186 PolarHBondContact O-N 2.86Å; R165-R186 CarbonylContact C-O 3.5Å; R165-R186 WeakPolarHBondContact CA-O 3.18Å; R165-R186 HydrophobicContact CG-CB 4.34Å; I166-R186 PolarHBondContact N-O 3.44Å; R186-E193 IonicContact CZ-OE1 3.82Å; R186-E193 IonicContact NE-OE1 3.86Å; R186-E193 IonicContact NH2-OE1 3.74Å; R186-E193 PolarHBondContact NH2-OE1 2.58Å
187	V	98.9	Very high	98.5	Very high	31 Å²	31	56.7 Å²	56.7	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.7	172.7	-178.1	0	0	0	0	110	I166 R171 A174 E175 A178 V185	I166-V187 HydrophobicContact CG2-CB 4.44Å; I166-V187 HydrophobicContact CG2-CG2 3.96Å; R171-V187 HydrophobicContact CG-CG1 4.47Å; A174-V187 HydrophobicContact CB-CG1 3.89Å; E175-V187 HydrophobicContact CG-CG1 4.17Å; E175-V187 HydrophobicContact CG-CG2 4.24Å; A178-V187 HydrophobicContact CB-CG2 3.73Å; V185-V187 PolarHBondContact O-N 3.41Å
188	C	98.8	Very high	98.5	Very high	4 Å²	4	56.7 Å²	56.7	3%	0.027	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-96.1	150.3	179.1	-67.2	0	0	0	0	111.6	I166 E193 A194	I166-C188 PolarHBondContact O-N 3.35Å; C188-E193 HydrophobicContact CB-CB 4.24Å; C188-E193 HydrophobicContact CB-CG 4.14Å; C188-A194 HydrophobicContact CB-CB 3.74Å
189	S	98.4	Very high	98.5	Very high	81 Å²	81	55.9 Å²	55.9	57%	0.566	33%	0.325	S	S	*	.	S	Bend	trans	-84.7	-22.1	-177.5	63.1	0	0	0	0	113.9	E193	S189-E193 WeakPolarHBondContact CB-OE2 3.28Å; S189-E193 PolarHBondContact N-OE2 3.22Å; S189-E193 PolarHBondContact OG-OE2 3.31Å
190	S	98.8	Very high	98.5	Very high	45 Å²	45	51.3 Å²	51.3	32%	0.315	29%	0.293	S	S	.	.	S	Bend	trans	-141.5	159.7	178.9	64.9	0	0	0	0	111.2	W167 Q192 E193 A194	W167-S190 VanDerWaalsContact CD1-CA 3.49Å; S190-Q192 VanDerWaalsContact C-N 3.32Å; S190-E193 PolarHBondContact O-N 3.35Å; S190-E193 WeakPolarHBondContact OG-CB 3.11Å; S190-E193 PolarHBondContact OG-N 2.88Å; S190-E193 VanDerWaalsContact OG-N 3.13Å; S190-A194 PolarHBondContact O-N 3.38Å; S190-A194 VanDerWaalsContact O-N 3.17Å
191	V	98.8	Very high	98.6	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-46.4	172.9	176.2	0	0	0	0	110.3	L142 W167 E193 A194 V195 I211 L212 W216	L142-V191 HydrophobicContact CD1-CG1 3.6Å; L142-V191 HydrophobicContact CD2-CG1 4.05Å; L142-V191 HydrophobicContact CD2-CG2 4.46Å; W167-V191 HydrophobicContact CD2-CG2 3.5Å; W167-V191 VanDerWaalsContact CD2-CG2 3.5Å; W167-V191 HydrophobicContact CE3-CG2 3.49Å; W167-V191 VanDerWaalsContact CE3-CG2 3.49Å; W167-V191 HydrophobicContact CG-CG2 4.19Å; W167-V191 HydrophobicContact CH2-CG2 3.76Å; W167-V191 HydrophobicContact CZ2-CG2 3.8Å; W167-V191 HydrophobicContact CZ3-CG2 3.62Å; V191-E193 VanDerWaalsContact C-N 3.34Å; V191-E193 PolarHBondContact O-N 3.21Å; V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 2.86Å; V191-V195 HydrophobicContact CG1-CG1 4.13Å; V191-V195 WeakPolarHBondContact O-CG2 3.22Å; V191-V195 PolarHBondContact O-N 3.09Å; V191-I211 WeakPolarHBondContact CG1-O 3.37Å; V191-L212 HydrophobicContact CG1-CD1 4.2Å; V191-W216 HydrophobicContact CB-CE3 4.44Å; V191-W216 HydrophobicContact CB-CZ3 3.9Å; V191-W216 HydrophobicContact CG1-CE3 4.05Å; V191-W216 HydrophobicContact CG1-CZ3 3.85Å
192	Q	98.8	Very high	98.6	Very high	98 Å²	98	46 Å²	46	46%	0.458	26%	0.261	S	S	.	.	H	α-helix	trans	-55.5	-47	179.3	-173.7	176.6	15.7	0	0	111.9	S190 A194 V195 T196 W216	S190-Q192 VanDerWaalsContact C-N 3.32Å; Q192-A194 VanDerWaalsContact C-N 3.3Å; Q192-A194 PolarHBondContact O-N 3.13Å; Q192-V195 PolarHBondContact O-N 3.43Å; Q192-T196 WeakPolarHBondContact O-CB 3.37Å; Q192-T196 PolarHBondContact O-N 3.3Å; Q192-T196 PolarHBondContact O-OG1 3.48Å; Q192-W216 HydrophobicContact CB-CD2 3.71Å; Q192-W216 HydrophobicContact CB-CE3 3.84Å; Q192-W216 HydrophobicContact CB-CG 4.15Å; Q192-W216 HydrophobicContact CB-CH2 4.43Å; Q192-W216 HydrophobicContact CB-CZ2 4.32Å; Q192-W216 HydrophobicContact CB-CZ3 4.2Å; Q192-W216 HydrophobicContact CG-CB 4.29Å; Q192-W216 HydrophobicContact CG-CD2 3.79Å; Q192-W216 HydrophobicContact CG-CE3 4.41Å; Q192-W216 HydrophobicContact CG-CG 3.71Å
193	E	98.8	Very high	98.7	Very high	57 Å²	57	37.4 Å²	37.4	27%	0.266	22%	0.221	S	C	.	.	H	α-helix	trans	-58.4	-43.5	175.5	-174.8	-165.8	167.6	0	0	111.6	R186 C188 S189 S190 V191	R186-E193 IonicContact CZ-OE1 3.82Å; R186-E193 IonicContact NE-OE1 3.86Å; R186-E193 IonicContact NH2-OE1 3.74Å; R186-E193 PolarHBondContact NH2-OE1 2.58Å; C188-E193 HydrophobicContact CB-CB 4.24Å; C188-E193 HydrophobicContact CB-CG 4.14Å; S189-E193 WeakPolarHBondContact CB-OE2 3.28Å; S189-E193 PolarHBondContact N-OE2 3.22Å; S189-E193 PolarHBondContact OG-OE2 3.31Å; S190-E193 PolarHBondContact O-N 3.35Å; S190-E193 WeakPolarHBondContact OG-CB 3.11Å; S190-E193 PolarHBondContact OG-N 2.88Å; S190-E193 VanDerWaalsContact OG-N 3.13Å; V191-E193 VanDerWaalsContact C-N 3.34Å; V191-E193 PolarHBondContact O-N 3.21Å
194	A	98.8	Very high	98.7	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-43.6	-176.6	0	0	0	0	0	112.3	C140 L142 R165 W167 C188 S190 V191 Q192	C140-A194 VanDerWaalsContact SG-C 3.51Å; C140-A194 WeakPolarHBondContact SG-CB 3.49Å; C140-A194 PolarHBondContact SG-O 3.5Å; L142-A194 HydrophobicContact CD2-CB 4.14Å; R165-A194 WeakPolarHBondContact CD-O 3.26Å; R165-A194 PolarHBondContact NH1-O 2.89Å; W167-A194 HydrophobicContact CB-CB 3.88Å; C188-A194 HydrophobicContact CB-CB 3.74Å; S190-A194 PolarHBondContact O-N 3.38Å; S190-A194 VanDerWaalsContact O-N 3.17Å; V191-A194 WeakPolarHBondContact O-CB 3.48Å; V191-A194 PolarHBondContact O-N 2.86Å; Q192-A194 VanDerWaalsContact C-N 3.3Å; Q192-A194 PolarHBondContact O-N 3.13Å
195	V	98.8	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-88.8	-17.8	-173.2	-56.3	0	0	0	0	114.3	L142 V191 Q192 G197 A198 I201 L212 W216	L142-V195 HydrophobicContact CD1-CG1 4.17Å; L142-V195 HydrophobicContact CD2-CG1 4.14Å; L142-V195 HydrophobicContact CG-CG1 4.48Å; V191-V195 HydrophobicContact CG1-CG1 4.13Å; V191-V195 WeakPolarHBondContact O-CG2 3.22Å; V191-V195 PolarHBondContact O-N 3.09Å; Q192-V195 PolarHBondContact O-N 3.43Å; V195-G197 PolarHBondContact O-N 3.16Å; V195-A198 WeakPolarHBondContact O-CB 3.35Å; V195-A198 PolarHBondContact O-N 3.34Å; V195-I201 HydrophobicContact CB-CD1 3.89Å; V195-I201 HydrophobicContact CG1-CD1 3.99Å; V195-I201 HydrophobicContact CG1-CG1 4.36Å; V195-I201 HydrophobicContact CG1-CG2 4.12Å; V195-L212 HydrophobicContact CB-CD1 4.23Å; V195-L212 HydrophobicContact CG1-CD1 3.79Å; V195-L212 HydrophobicContact CG2-CD1 3.96Å; V195-W216 HydrophobicContact CG2-CB 3.63Å; V195-W216 HydrophobicContact CG2-CE3 4.41Å
196	T	98.8	Very high	98.4	Very high	77 Å²	77	31.4 Å²	31.4	47%	0.472	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	111.8	-178.8	-66.2	0	0	0	0	110.5	R165 Q192 A198	R165-T196 PolarHBondContact NH1-O 2.99Å; Q192-T196 WeakPolarHBondContact O-CB 3.37Å; Q192-T196 PolarHBondContact O-N 3.3Å; Q192-T196 PolarHBondContact O-OG1 3.48Å; T196-A198 VanDerWaalsContact C-N 3.3Å; T196-A198 PolarHBondContact O-N 2.82Å
197	G	98.6	Very high	98.2	Very high	35 Å²	35	26.8 Å²	26.8	36%	0.361	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	8.9	-177.7	0	0	0	0	0	115.3	V195	V195-G197 PolarHBondContact O-N 3.16Å
198	A	98.9	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.175	C	C	.	.			trans	-71.1	138.8	173.1	0	0	0	0	0	111.1	V138 C140 V195 T196 I201 A221	V138-A198 HydrophobicContact CG1-CB 4.14Å; C140-A198 HydrophobicContact CB-CB 3.71Å; V195-A198 WeakPolarHBondContact O-CB 3.35Å; V195-A198 PolarHBondContact O-N 3.34Å; T196-A198 VanDerWaalsContact C-N 3.3Å; T196-A198 PolarHBondContact O-N 2.82Å; A198-I201 HydrophobicContact CB-CD1 4.45Å; A198-I201 HydrophobicContact CB-CG1 3.93Å; A198-A221 WeakPolarHBondContact O-CB 3.39Å
199	D	98.9	Very high	97.9	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	21%	0.207	C	C	.	.	S	Bend	trans	-90.3	-35.2	179	-61.4	-60.1	0	0	0	111.8	P133 D137 V138 K218 A221 H222	P133-D199 WeakPolarHBondContact CD-O 3.31Å; P133-D199 HydrophobicContact CG-CB 3.95Å; D137-D199 PolarHBondContact N-OD2 3.32Å; V138-D199 PolarHBondContact N-OD2 2.93Å; V138-D199 PolarHBondContact O-N 2.96Å; D199-K218 IonicContact OD1-NZ 2.61Å; D199-K218 PolarHBondContact OD1-NZ 2.68Å; D199-A221 WeakPolarHBondContact O-CA 3.41Å; D199-H222 PolarHBondContact O-N 3.31Å
200	V	98.9	Very high	98	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.1	176.9	-178	0	0	0	0	108.7	T128 K132 V138 L139 C140 F155 F161 H222	T128-V200 HydrophobicContact CG2-CG1 3.96Å; T128-V200 HydrophobicContact CG2-CG2 4.07Å; K132-V200 HydrophobicContact CB-CG2 3.86Å; V138-V200 PolarHBondContact O-N 3.46Å; V138-V200 VanDerWaalsContact O-N 3.16Å; L139-V200 CarbonylContact C-O 3.46Å; L139-V200 WeakPolarHBondContact CA-O 3.44Å; L139-V200 HydrophobicContact CD1-CB 4.02Å; L139-V200 HydrophobicContact CD1-CG1 3.84Å; C140-V200 PolarHBondContact N-O 3.34Å; F155-V200 HydrophobicContact CE1-CG1 3.96Å; F161-V200 HydrophobicContact CE1-CB 4.15Å; F161-V200 HydrophobicContact CE1-CG2 3.92Å; F161-V200 HydrophobicContact CZ-CB 4.19Å; F161-V200 HydrophobicContact CZ-CG2 4.08Å; V200-H222 CarbonylContact C-O 3.59Å; V200-H222 VanDerWaalsContact CA-O 3.29Å; V200-H222 WeakPolarHBondContact CA-O 3.33Å
201	I	98.9	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	139.4	-180	-55.3	167.5	0	0	0	108.7	C140 L142 V195 A198 T203 L212 V217 H222 I223 N224	C140-I201 HydrophobicContact CB-CG1 4.23Å; C140-I201 CarbonylContact O-C 3.54Å; C140-I201 WeakPolarHBondContact O-CA 3.17Å; L142-I201 HydrophobicContact CD1-CG2 4.42Å; L142-I201 HydrophobicContact CG-CG2 4.41Å; V195-I201 HydrophobicContact CB-CD1 3.89Å; V195-I201 HydrophobicContact CG1-CD1 3.99Å; V195-I201 HydrophobicContact CG1-CG1 4.36Å; V195-I201 HydrophobicContact CG1-CG2 4.12Å; A198-I201 HydrophobicContact CB-CD1 4.45Å; A198-I201 HydrophobicContact CB-CG1 3.93Å; I201-T203 HydrophobicContact CG2-CG2 4.38Å; I201-L212 HydrophobicContact CD1-CD2 4.47Å; I201-L212 HydrophobicContact CG2-CD2 3.95Å; I201-V217 HydrophobicContact CD1-CG1 4.41Å; I201-V217 HydrophobicContact CD1-CG2 4.35Å; I201-H222 PolarHBondContact N-O 3.16Å; I201-I223 HydrophobicContact CB-CG1 4.12Å; I201-I223 HydrophobicContact CB-CG2 4.38Å; I201-I223 HydrophobicContact CD1-CG1 4.16Å; I201-I223 HydrophobicContact CG2-CG2 4.49Å; I201-I223 CarbonylContact O-C 3.46Å; I201-I223 WeakPolarHBondContact O-CA 3.25Å; I201-N224 PolarHBondContact O-N 3.23Å
202	I	98.9	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122	176.7	-58.2	176.6	0	0	0	108.3	L139 C140 I141 L142 H151 F155 V204 N224	L139-I202 HydrophobicContact CD1-CD1 3.86Å; L139-I202 HydrophobicContact CD1-CG1 4.11Å; C140-I202 PolarHBondContact O-N 3.24Å; I141-I202 HydrophobicContact CG1-CD1 4.39Å; L142-I202 PolarHBondContact N-O 3.19Å; H151-I202 HydrophobicContact CB-CD1 3.92Å; H151-I202 HydrophobicContact CB-CG2 4.39Å; F155-I202 HydrophobicContact CD1-CD1 3.81Å; F155-I202 HydrophobicContact CD2-CD1 4.13Å; F155-I202 HydrophobicContact CE1-CD1 3.6Å; F155-I202 HydrophobicContact CE1-CG1 4.21Å; F155-I202 HydrophobicContact CE2-CD1 3.95Å; F155-I202 HydrophobicContact CG-CD1 4.07Å; F155-I202 HydrophobicContact CZ-CD1 3.67Å; F155-I202 HydrophobicContact CZ-CG1 4.3Å; I202-V204 HydrophobicContact CG2-CG1 3.66Å; I202-V204 HydrophobicContact CG2-CG2 4.3Å; I202-N224 HydrophobicContact CG1-CB 4.35Å
203	T	98.9	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.7	173.6	75.1	0	0	0	0	110	L142 I201 L212 I223 N224 A225 V226 G227 E235 L236	L142-T203 HydrophobicContact CB-CG2 4.47Å; L142-T203 HydrophobicContact CD1-CG2 4.01Å; I201-T203 HydrophobicContact CG2-CG2 4.38Å; T203-L212 HydrophobicContact CG2-CD2 3.97Å; T203-I223 HydrophobicContact CG2-CG2 4.31Å; T203-N224 PolarHBondContact N-O 3.4Å; T203-A225 WeakPolarHBondContact OG1-CA 3.3Å; T203-V226 WeakPolarHBondContact O-CA 3.29Å; T203-V226 WeakPolarHBondContact O-CB 3.33Å; T203-V226 PolarHBondContact O-N 3.47Å; T203-G227 PolarHBondContact O-N 2.94Å; T203-E235 VanDerWaalsContact CB-OE2 3.28Å; T203-E235 WeakPolarHBondContact CB-OE2 3.39Å; T203-E235 PolarHBondContact OG1-OE2 3.14Å; T203-L236 HydrophobicContact CG2-CD2 4.11Å
204	V	98.2	Very high	98	Very high	17 Å²	17	29.3 Å²	29.3	10%	0.103	17%	0.17	C	C	.	.			trans	-134.3	42.7	-173.6	-76.1	0	0	0	0	110.5	I141 L142 Q147 A148 I202 V226	I141-V204 HydrophobicContact CG2-CG2 4.09Å; L142-V204 WeakPolarHBondContact O-CG2 3.21Å; L142-V204 PolarHBondContact O-N 3.27Å; Q147-V204 HydrophobicContact CB-CB 3.8Å; Q147-V204 HydrophobicContact CB-CG1 3.62Å; A148-V204 HydrophobicContact CB-CG2 3.94Å; I202-V204 HydrophobicContact CG2-CG1 3.66Å; I202-V204 HydrophobicContact CG2-CG2 4.3Å; V204-V226 HydrophobicContact CG1-CB 3.8Å; V204-V226 HydrophobicContact CG1-CG1 4.15Å; V204-V226 HydrophobicContact CG1-CG2 4.14Å
205	T	96.2	Very high	97.9	Very high	21 Å²	21	35.3 Å²	35.3	13%	0.129	20%	0.202	C	C	.	.			trans	-102.1	174.5	-178.9	85	0	0	0	0	112.1	L142 A207 I211 E235	L142-T205 HydrophobicContact CB-CG2 4.46Å; L142-T205 WeakPolarHBondContact O-CG2 3.45Å; T205-A207 VanDerWaalsContact OG1-CB 3.28Å; T205-A207 WeakPolarHBondContact OG1-CB 3.14Å; T205-A207 PolarHBondContact OG1-N 3.33Å; T205-I211 HydrophobicContact CG2-CD1 3.61Å; T205-E235 VanDerWaalsContact CA-OE1 3.31Å; T205-E235 WeakPolarHBondContact CA-OE1 3.39Å; T205-E235 WeakPolarHBondContact CB-OE1 3.46Å; T205-E235 WeakPolarHBondContact CG2-OE1 3.46Å; T205-E235 PolarHBondContact N-OE1 2.76Å; T205-E235 PolarHBondContact OG1-OE1 2.72Å
206	M	92.7	Very high	97.9	Very high	62 Å²	62	38.6 Å²	38.6	31%	0.305	21%	0.214	S	C	.	.			trans	-105.9	27.2	169.5	-64.3	-69.7	-66.6	0	0	110.6	W233	M206-W233 HydrophobicContact CE-CH2 3.95Å; M206-W233 HydrophobicContact CE-CZ3 3.74Å
207	A	94.4	Very high	97.9	Very high	17 Å²	17	35.7 Å²	35.7	14%	0.14	20%	0.196	C	C	.	.			trans	-65.3	144.5	174.5	0	0	0	0	0	110.1	T205 I211 E235	T205-A207 VanDerWaalsContact OG1-CB 3.28Å; T205-A207 WeakPolarHBondContact OG1-CB 3.14Å; T205-A207 PolarHBondContact OG1-N 3.33Å; A207-I211 HydrophobicContact CB-CD1 4.46Å; A207-I211 HydrophobicContact CB-CG2 3.74Å; A207-E235 HydrophobicContact CB-CG 4.41Å
208	T	95.4	Very high	97.9	Very high	70 Å²	70	38.1 Å²	38.1	43%	0.429	20%	0.197	S	C	.	.	S	Bend	trans	-107.8	-12.8	176.5	59.6	0	0	0	0	111.7	W233 R234	T208-W233 HydrophobicContact CG2-CD2 3.73Å; T208-W233 HydrophobicContact CG2-CE3 4.42Å; T208-W233 HydrophobicContact CG2-CG 3.74Å; T208-W233 HydrophobicContact CG2-CZ2 4.37Å; T208-R234 CarbonylContact C-O 3.54Å; T208-R234 VanDerWaalsContact C-O 3.31Å; T208-R234 PolarHBondContact O-N 3.2Å
209	E	97.9	Very high	97.9	Very high	148 Å²	148	43.5 Å²	43.5	69%	0.692	23%	0.232	S	C	*	.	S	Bend	trans	-122.2	151.3	176.9	-64.9	-178.3	172.9	0	0	109.4	I211 R234	E209-I211 PolarHBondContact O-N 2.91Å; E209-R234 CarbonylContact C-O 3.49Å; E209-R234 PolarHBondContact N-O 2.7Å
210	P	98.8	Very high	97.9	Very high	42 Å²	42	43.7 Å²	43.7	27%	0.273	24%	0.235	S	C	.	.			trans	-52.2	129.1	-178.8	-28.7	36.9	0	0	0	113.5	F213 R234 D237	P210-F213 HydrophobicContact CB-CZ 4.25Å; P210-R234 HydrophobicContact CG-CB 4.03Å; P210-D237 HydrophobicContact CB-CB 3.99Å; P210-D237 HydrophobicContact CG-CB 4.5Å
211	I	98.8	Very high	97.9	Very high	31 Å²	31	43.7 Å²	43.7	16%	0.159	24%	0.235	C	C	.	.			trans	-113.2	-24	174.4	60	167.5	0	0	0	112	L142 W167 V191 T205 A207 E209 E235	L142-I211 HydrophobicContact CB-CD1 4.44Å; L142-I211 HydrophobicContact CD1-CD1 4.44Å; W167-I211 HydrophobicContact CZ3-CD1 4.15Å; V191-I211 WeakPolarHBondContact CG1-O 3.37Å; T205-I211 HydrophobicContact CG2-CD1 3.61Å; A207-I211 HydrophobicContact CB-CD1 4.46Å; A207-I211 HydrophobicContact CB-CG2 3.74Å; E209-I211 PolarHBondContact O-N 2.91Å; I211-E235 HydrophobicContact CG1-CB 4.33Å; I211-E235 WeakPolarHBondContact CG1-O 3.4Å; I211-E235 PolarHBondContact N-O 3.17Å
212	L	98.9	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-110.5	121.1	178.4	178.8	55.7	0	0	0	109.4	L142 V191 V195 I201 T203 V217 I223 E235 L236 D237 L240	L142-L212 HydrophobicContact CD1-CB 4.19Å; L142-L212 HydrophobicContact CD1-CD1 4.45Å; L142-L212 HydrophobicContact CD1-CD2 4.39Å; V191-L212 HydrophobicContact CG1-CD1 4.2Å; V195-L212 HydrophobicContact CB-CD1 4.23Å; V195-L212 HydrophobicContact CG1-CD1 3.79Å; V195-L212 HydrophobicContact CG2-CD1 3.96Å; I201-L212 HydrophobicContact CD1-CD2 4.47Å; I201-L212 HydrophobicContact CG2-CD2 3.95Å; T203-L212 HydrophobicContact CG2-CD2 3.97Å; L212-V217 HydrophobicContact CD1-CG2 3.98Å; L212-V217 HydrophobicContact CG-CG2 4.36Å; L212-I223 HydrophobicContact CD2-CG1 4.43Å; L212-I223 HydrophobicContact CD2-CG2 4.14Å; L212-E235 PolarHBondContact N-O 2.87Å; L212-L236 HydrophobicContact CB-CD2 3.84Å; L212-L236 HydrophobicContact CD2-CD2 3.79Å; L212-L236 HydrophobicContact CG-CD2 4.16Å; L212-D237 PolarHBondContact O-N 3.43Å; L212-D237 VanDerWaalsContact O-N 3.1Å; L212-L240 HydrophobicContact CD2-CD2 3.87Å; L212-L240 HydrophobicContact CG-CD2 3.85Å
213	F	98.9	Very high	97.9	Very high	79 Å²	79	43.7 Å²	43.7	35%	0.346	24%	0.235	S	C	.	.			trans	-110.2	136.7	-176.9	-66	-98.3	0	0	0	110.7	P210 D215 W216 D237	P210-F213 HydrophobicContact CB-CZ 4.25Å; F213-D215 VanDerWaalsContact C-N 3.26Å; F213-D215 PolarHBondContact O-N 2.8Å; F213-W216 HydrophobicContact CB-CD2 4.1Å; F213-W216 HydrophobicContact CB-CE3 4.2Å; F213-W216 HydrophobicContact CB-CH2 4.42Å; F213-W216 HydrophobicContact CB-CZ2 4.31Å; F213-W216 HydrophobicContact CB-CZ3 4.36Å; F213-W216 HydrophobicContact CD2-CE3 4.26Å; F213-W216 AromaticContact CD2-CH2 3.4Å; F213-W216 HydrophobicContact CD2-CH2 3.4Å; F213-W216 VanDerWaalsContact CD2-CH2 3.4Å; F213-W216 AromaticContact CD2-CZ2 3.94Å; F213-W216 HydrophobicContact CD2-CZ2 3.94Å; F213-W216 AromaticContact CD2-CZ3 3.59Å; F213-W216 HydrophobicContact CD2-CZ3 3.59Å; F213-W216 HydrophobicContact CE2-CH2 4.02Å; F213-W216 HydrophobicContact CE2-CZ3 4.42Å; F213-W216 HydrophobicContact CG-CH2 4.2Å; F213-W216 HydrophobicContact CG-CZ2 4.31Å; F213-W216 HydrophobicContact CG-CZ3 4.41Å; F213-W216 PolarHBondContact O-N 3.01Å; F213-W216 VanDerWaalsContact O-N 3.1Å; F213-D237 WeakPolarHBondContact CA-OD1 3.49Å; F213-D237 HydrophobicContact CD1-CB 3.66Å; F213-D237 HydrophobicContact CE1-CB 4.04Å; F213-D237 HydrophobicContact CG-CB 4.24Å
214	G	98.4	Very high	97.9	Very high	12 Å²	12	43.7 Å²	43.7	12%	0.124	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-53.6	-39.2	-177.3	0	0	0	0	0	114	W216 V217 D237	G214-W216 PolarHBondContact O-N 3.33Å; G214-V217 WeakPolarHBondContact O-CB 3.49Å; G214-V217 PolarHBondContact O-N 3.42Å; G214-D237 PolarHBondContact N-OD1 2.84Å
215	D	98.1	Very high	97.9	Very high	126 Å²	126	42.9 Å²	42.9	67%	0.674	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-53.1	-23	177.1	-83.7	-28.5	0	0	0	114.9	F213	F213-D215 VanDerWaalsContact C-N 3.26Å; F213-D215 PolarHBondContact O-N 2.8Å
216	W	98.8	Very high	98	Very high	68 Å²	68	42.8 Å²	42.8	26%	0.258	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-97.5	-12.4	-177.9	-51.5	-19.4	0	0	0	113	V191 Q192 V195 F213 G214	V191-W216 HydrophobicContact CB-CE3 4.44Å; V191-W216 HydrophobicContact CB-CZ3 3.9Å; V191-W216 HydrophobicContact CG1-CE3 4.05Å; V191-W216 HydrophobicContact CG1-CZ3 3.85Å; Q192-W216 HydrophobicContact CB-CD2 3.71Å; Q192-W216 HydrophobicContact CB-CE3 3.84Å; Q192-W216 HydrophobicContact CB-CG 4.15Å; Q192-W216 HydrophobicContact CB-CH2 4.43Å; Q192-W216 HydrophobicContact CB-CZ2 4.32Å; Q192-W216 HydrophobicContact CB-CZ3 4.2Å; Q192-W216 HydrophobicContact CG-CB 4.29Å; Q192-W216 HydrophobicContact CG-CD2 3.79Å; Q192-W216 HydrophobicContact CG-CE3 4.41Å; Q192-W216 HydrophobicContact CG-CG 3.71Å; V195-W216 HydrophobicContact CG2-CB 3.63Å; V195-W216 HydrophobicContact CG2-CE3 4.41Å; F213-W216 HydrophobicContact CB-CD2 4.1Å; F213-W216 HydrophobicContact CB-CE3 4.2Å; F213-W216 HydrophobicContact CB-CH2 4.42Å; F213-W216 HydrophobicContact CB-CZ2 4.31Å; F213-W216 HydrophobicContact CB-CZ3 4.36Å; F213-W216 HydrophobicContact CD2-CE3 4.26Å; F213-W216 AromaticContact CD2-CH2 3.4Å; F213-W216 HydrophobicContact CD2-CH2 3.4Å; F213-W216 VanDerWaalsContact CD2-CH2 3.4Å; F213-W216 AromaticContact CD2-CZ2 3.94Å; F213-W216 HydrophobicContact CD2-CZ2 3.94Å; F213-W216 AromaticContact CD2-CZ3 3.59Å; F213-W216 HydrophobicContact CD2-CZ3 3.59Å; F213-W216 HydrophobicContact CE2-CH2 4.02Å; F213-W216 HydrophobicContact CE2-CZ3 4.42Å; F213-W216 HydrophobicContact CG-CH2 4.2Å; F213-W216 HydrophobicContact CG-CZ2 4.31Å; F213-W216 HydrophobicContact CG-CZ3 4.41Å; F213-W216 PolarHBondContact O-N 3.01Å; F213-W216 VanDerWaalsContact O-N 3.1Å; G214-W216 PolarHBondContact O-N 3.33Å
217	V	98.8	Very high	98.1	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.097	22%	0.219	C	C	.	.	S	Bend	trans	-82.4	128.8	-171.5	177.4	0	0	0	0	109.7	I201 L212 G214 A221 I223 L240 T287	I201-V217 HydrophobicContact CD1-CG1 4.41Å; I201-V217 HydrophobicContact CD1-CG2 4.35Å; L212-V217 HydrophobicContact CD1-CG2 3.98Å; L212-V217 HydrophobicContact CG-CG2 4.36Å; G214-V217 WeakPolarHBondContact O-CB 3.49Å; G214-V217 PolarHBondContact O-N 3.42Å; V217-A221 HydrophobicContact CG1-CB 3.77Å; V217-I223 HydrophobicContact CG1-CD1 4.12Å; V217-L240 HydrophobicContact CB-CD1 4.47Å; V217-L240 HydrophobicContact CG1-CD1 4.38Å; V217-L240 HydrophobicContact CG2-CD1 4.09Å; V217-L240 HydrophobicContact CG2-CD2 4.24Å; V217-T287 HydrophobicContact CG1-CG2 4Å
218	K	98.6	Very high	98.1	Very high	86 Å²	86	39.5 Å²	39.5	37%	0.374	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-58.4	129.8	172.8	179.8	-173.9	174.7	-178.7	0	109.1	D199 G220 A221	D199-K218 IonicContact OD1-NZ 2.61Å; D199-K218 PolarHBondContact OD1-NZ 2.68Å; K218-G220 PolarHBondContact O-N 3.07Å; K218-A221 HydrophobicContact CB-CB 4.32Å; K218-A221 WeakPolarHBondContact O-CB 3.28Å; K218-A221 PolarHBondContact O-N 3.48Å
219	P	98.6	Very high	97.9	Very high	114 Å²	114	37.5 Å²	37.5	74%	0.74	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	127.9	171.9	-26.7	35.1	0	0	0	111
220	G	98.4	Very high	97.7	Very high	8 Å²	8	32.5 Å²	32.5	8%	0.082	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-6.6	-175.8	0	0	0	0	0	114.8	P133 K218 T287	P133-G220 WeakPolarHBondContact CB-O 3.47Å; P133-G220 WeakPolarHBondContact CD-O 3.31Å; P133-G220 WeakPolarHBondContact CG-O 3.45Å; K218-G220 PolarHBondContact O-N 3.07Å; G220-T287 PolarHBondContact N-OG1 3.35Å; G220-T287 VanDerWaalsContact N-OG1 3.11Å
221	A	98.9	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.			trans	-64	148	179.1	0	0	0	0	0	112.3	A198 D199 V217 K218 T287 T288	A198-A221 WeakPolarHBondContact O-CB 3.39Å; D199-A221 WeakPolarHBondContact O-CA 3.41Å; V217-A221 HydrophobicContact CG1-CB 3.77Å; K218-A221 HydrophobicContact CB-CB 4.32Å; K218-A221 WeakPolarHBondContact O-CB 3.28Å; K218-A221 PolarHBondContact O-N 3.48Å; A221-T287 WeakPolarHBondContact O-CA 3.23Å; A221-T288 PolarHBondContact O-N 2.86Å
222	H	98.9	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.8	172.6	176.9	55	0	0	0	111.2	L131 K132 D199 V200 I201 N224 T288	L131-H222 WeakPolarHBondContact CB-ND1 3.47Å; K132-H222 HydrophobicContact CB-CB 4.48Å; D199-H222 PolarHBondContact O-N 3.31Å; V200-H222 CarbonylContact C-O 3.59Å; V200-H222 VanDerWaalsContact CA-O 3.29Å; V200-H222 WeakPolarHBondContact CA-O 3.33Å; I201-H222 PolarHBondContact N-O 3.16Å; H222-N224 PolarHBondContact NE2-ND2 3.19Å; H222-N224 PolarHBondContact NE2-OD1 2.94Å; H222-T288 WeakPolarHBondContact CA-O 3.34Å; H222-T288 PolarHBondContact ND1-OG1 3.33Å
223	I	98.9	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.5	-179.5	-54.5	86.3	0	0	0	109.7	I201 T203 L212 V217 L240 T287 T288 V289 F290	I201-I223 HydrophobicContact CB-CG1 4.12Å; I201-I223 HydrophobicContact CB-CG2 4.38Å; I201-I223 HydrophobicContact CD1-CG1 4.16Å; I201-I223 HydrophobicContact CG2-CG2 4.49Å; I201-I223 CarbonylContact O-C 3.46Å; I201-I223 WeakPolarHBondContact O-CA 3.25Å; T203-I223 HydrophobicContact CG2-CG2 4.31Å; L212-I223 HydrophobicContact CD2-CG1 4.43Å; L212-I223 HydrophobicContact CD2-CG2 4.14Å; V217-I223 HydrophobicContact CG1-CD1 4.12Å; I223-L240 HydrophobicContact CD1-CD1 4.09Å; I223-T287 HydrophobicContact CD1-CG2 3.91Å; I223-T288 VanDerWaalsContact CD1-O 3.25Å; I223-T288 WeakPolarHBondContact CD1-O 3.3Å; I223-T288 PolarHBondContact N-O 2.95Å; I223-V289 HydrophobicContact CB-CG2 4.2Å; I223-V289 HydrophobicContact CD1-CG2 4.17Å; I223-V289 CarbonylContact O-C 3.35Å; I223-V289 WeakPolarHBondContact O-CA 3.39Å; I223-F290 PolarHBondContact O-N 3.04Å
224	N	98.9	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	104.1	166.2	-63.8	-87.3	0	0	0	108.8	S124 T128 I201 I202 T203 H222 V226	S124-N224 WeakPolarHBondContact CA-OD1 3.43Å; S124-N224 PolarHBondContact O-OD1 2.98Å; S124-N224 VanDerWaalsContact O-OD1 3.07Å; T128-N224 PolarHBondContact OG1-ND2 3.44Å; T128-N224 PolarHBondContact OG1-OD1 2.97Å; I201-N224 PolarHBondContact O-N 3.23Å; I202-N224 HydrophobicContact CG1-CB 4.35Å; T203-N224 PolarHBondContact N-O 3.4Å; H222-N224 PolarHBondContact NE2-ND2 3.19Å; H222-N224 PolarHBondContact NE2-OD1 2.94Å; N224-V226 HydrophobicContact CB-CG2 4.43Å
225	A	98.9	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	97	-178.1	0	0	0	0	0	111	T203 L236 V289 F290 K291 S292	T203-A225 WeakPolarHBondContact OG1-CA 3.3Å; A225-L236 HydrophobicContact CB-CD1 3.79Å; A225-L236 HydrophobicContact CB-CG 4.43Å; A225-V289 HydrophobicContact CB-CG1 4.22Å; A225-F290 PolarHBondContact N-O 3.5Å; A225-K291 HydrophobicContact CB-CD 4.04Å; A225-S292 PolarHBondContact O-N 3.39Å
226	V	98.8	Very high	97.5	Very high	19 Å²	19	27.4 Å²	27.4	12%	0.115	15%	0.148	C	C	.	.			trans	-107.3	-28.2	-168	-176	0	0	0	0	112.7	T120 T203 V204 N224	T120-V226 HydrophobicContact CG2-CG1 3.45Å; T120-V226 VanDerWaalsContact CG2-CG1 3.45Å; T203-V226 WeakPolarHBondContact O-CA 3.29Å; T203-V226 WeakPolarHBondContact O-CB 3.33Å; T203-V226 PolarHBondContact O-N 3.47Å; V204-V226 HydrophobicContact CG1-CB 3.8Å; V204-V226 HydrophobicContact CG1-CG1 4.15Å; V204-V226 HydrophobicContact CG1-CG2 4.14Å; N224-V226 HydrophobicContact CB-CG2 4.43Å
227	G	94.3	Very high	97.5	Very high	9 Å²	9	25.1 Å²	25.1	9%	0.093	14%	0.14	C	C	.	.	S	Bend	trans	-73.4	-164.2	174.1	0	0	0	0	0	112.6	T203 S229 E235 K291	T203-G227 PolarHBondContact O-N 2.94Å; G227-S229 PolarHBondContact O-N 3.39Å; G227-E235 WeakPolarHBondContact CA-OE2 3.44Å; G227-E235 PolarHBondContact N-OE2 3.16Å; G227-K291 PolarHBondContact O-NZ 3.19Å
228	A	93.5	Very high	97.5	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	15%	0.151	C	C	.	.			trans	46.7	52.5	176.7	0	0	0	0	0	114.4	R230 W233 E235 D260 K291	A228-R230 PolarHBondContact O-N 2.92Å; A228-W233 HydrophobicContact CB-CB 4Å; A228-E235 HydrophobicContact CB-CG 3.96Å; A228-D260 WeakPolarHBondContact CB-OD2 3.29Å; A228-K291 PolarHBondContact O-NZ 3.19Å
229	S	92.3	Very high	97.5	Very high	27 Å²	27	26 Å²	26	19%	0.189	15%	0.147	C	C	.	.			trans	-86.2	34.3	179.2	54.7	0	0	0	0	113.2	G227 E257	G227-S229 PolarHBondContact O-N 3.39Å; S229-E257 CarbonylContact C-O 3.57Å
230	R	94.2	Very high	97.5	Very high	44 Å²	44	20.8 Å²	20.8	17%	0.166	11%	0.113	C	C	.	.	S	Bend	trans	-134.2	143.7	178.8	-70.3	-65.5	-55.8	-178.2	-2.4	109.5	F79 A228 D232 W233 E257 G259	F79-R230 HydrophobicContact CE2-CG 4.24Å; F79-R230 HydrophobicContact CZ-CG 4.34Å; A228-R230 PolarHBondContact O-N 2.92Å; R230-D232 IonicContact NE-OD1 3.82Å; R230-D232 PolarHBondContact O-N 2.95Å; R230-D232 VanDerWaalsContact O-N 3.09Å; R230-W233 HydrophobicContact CB-CB 3.96Å; R230-W233 HydrophobicContact CB-CD2 3.59Å; R230-W233 HydrophobicContact CB-CE3 4.04Å; R230-W233 HydrophobicContact CB-CG 3.57Å; R230-W233 HydrophobicContact CG-CD2 3.62Å; R230-W233 HydrophobicContact CG-CE3 3.76Å; R230-W233 HydrophobicContact CG-CG 4.16Å; R230-W233 HydrophobicContact CG-CH2 4.08Å; R230-W233 HydrophobicContact CG-CZ2 3.95Å; R230-W233 HydrophobicContact CG-CZ3 3.98Å; R230-W233 PolarHBondContact O-N 2.96Å; R230-W233 VanDerWaalsContact O-N 3.07Å; R230-E257 CarbonylContact C-O 3.6Å; R230-E257 WeakPolarHBondContact CA-O 3.45Å; R230-E257 PolarHBondContact N-O 2.91Å; R230-G259 PolarHBondContact O-N 2.85Å
231	P	96.4	Very high	97.5	Very high	48 Å²	48	20.6 Å²	20.6	31%	0.312	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.6	-174.1	27.2	-35.7	0	0	0	113.4	E257 G259 L262	P231-E257 VanDerWaalsContact N-O 3.08Å; P231-G259 WeakPolarHBondContact O-CA 3.25Å; P231-L262 HydrophobicContact CB-CD1 3.6Å
232	D	96.7	Very high	97.5	Very high	96 Å²	96	26.6 Å²	26.6	51%	0.513	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	3	-179.9	58.7	-45.5	0	0	0	113.4	R230	R230-D232 IonicContact NE-OD1 3.82Å; R230-D232 PolarHBondContact O-N 2.95Å; R230-D232 VanDerWaalsContact O-N 3.09Å
233	W	97.1	Very high	97.4	Very high	13 Å²	13	33.2 Å²	33.2	5%	0.049	17%	0.167	C	C	.	.			trans	-109.2	147.1	179.5	-64.8	3.9	0	0	0	111.5	F79 E81 M206 T208 A228 R230 G259 D260	F79-W233 HydrophobicContact CE2-CH2 4.19Å; E81-W233 HydrophobicContact CG-CH2 4Å; E81-W233 HydrophobicContact CG-CZ2 3.85Å; E81-W233 WeakPolarHBondContact OE1-CZ2 3.45Å; M206-W233 HydrophobicContact CE-CH2 3.95Å; M206-W233 HydrophobicContact CE-CZ3 3.74Å; T208-W233 HydrophobicContact CG2-CD2 3.73Å; T208-W233 HydrophobicContact CG2-CE3 4.42Å; T208-W233 HydrophobicContact CG2-CG 3.74Å; T208-W233 HydrophobicContact CG2-CZ2 4.37Å; A228-W233 HydrophobicContact CB-CB 4Å; R230-W233 HydrophobicContact CB-CB 3.96Å; R230-W233 HydrophobicContact CB-CD2 3.59Å; R230-W233 HydrophobicContact CB-CE3 4.04Å; R230-W233 HydrophobicContact CB-CG 3.57Å; R230-W233 HydrophobicContact CG-CD2 3.62Å; R230-W233 HydrophobicContact CG-CE3 3.76Å; R230-W233 HydrophobicContact CG-CG 4.16Å; R230-W233 HydrophobicContact CG-CH2 4.08Å; R230-W233 HydrophobicContact CG-CZ2 3.95Å; R230-W233 HydrophobicContact CG-CZ3 3.98Å; R230-W233 PolarHBondContact O-N 2.96Å; R230-W233 VanDerWaalsContact O-N 3.07Å; W233-G259 CarbonylContact O-C 3.55Å; W233-G259 WeakPolarHBondContact O-CA 3.49Å; W233-D260 PolarHBondContact O-N 2.74Å
234	R	98.5	Very high	97.4	Very high	25 Å²	25	33.7 Å²	33.7	9%	0.094	17%	0.171	C	C	.	.			trans	-136.2	147.7	175.5	-60.6	-175	69	165.8	-2.9	112	T208 E209 P210 L236 D237 D238 D260 L263	T208-R234 CarbonylContact C-O 3.54Å; T208-R234 VanDerWaalsContact C-O 3.31Å; T208-R234 PolarHBondContact O-N 3.2Å; E209-R234 CarbonylContact C-O 3.49Å; E209-R234 PolarHBondContact N-O 2.7Å; P210-R234 HydrophobicContact CG-CB 4.03Å; R234-L236 VanDerWaalsContact CZ-O 3.32Å; R234-L236 PolarHBondContact NE-O 3.38Å; R234-L236 PolarHBondContact NH2-O 2.92Å; R234-D237 PolarHBondContact NH2-O 3.36Å; R234-D238 IonicContact CZ-OD1 3.2Å; R234-D238 IonicContact NH1-OD1 2.89Å; R234-D238 PolarHBondContact NH1-OD1 3.41Å; R234-D238 IonicContact NH2-OD1 3.64Å; R234-D238 PolarHBondContact NH2-OD1 3.33Å; R234-D260 VanDerWaalsContact CA-OD1 3.24Å; R234-D260 WeakPolarHBondContact CA-OD1 3.12Å; R234-D260 WeakPolarHBondContact CB-OD1 3.28Å; R234-L263 HydrophobicContact CG-CD1 3.87Å
235	E	98.8	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-112.2	-23.5	161.4	-69.9	-171.1	116.2	0	0	111.5	T203 T205 A207 I211 L212 G227 A228 D260	T203-E235 VanDerWaalsContact CB-OE2 3.28Å; T203-E235 WeakPolarHBondContact CB-OE2 3.39Å; T203-E235 PolarHBondContact OG1-OE2 3.14Å; T205-E235 VanDerWaalsContact CA-OE1 3.31Å; T205-E235 WeakPolarHBondContact CA-OE1 3.39Å; T205-E235 WeakPolarHBondContact CB-OE1 3.46Å; T205-E235 WeakPolarHBondContact CG2-OE1 3.46Å; T205-E235 PolarHBondContact N-OE1 2.76Å; T205-E235 PolarHBondContact OG1-OE1 2.72Å; A207-E235 HydrophobicContact CB-CG 4.41Å; I211-E235 HydrophobicContact CG1-CB 4.33Å; I211-E235 WeakPolarHBondContact CG1-O 3.4Å; I211-E235 PolarHBondContact N-O 3.17Å; L212-E235 PolarHBondContact N-O 2.87Å; G227-E235 WeakPolarHBondContact CA-OE2 3.44Å; G227-E235 PolarHBondContact N-OE2 3.16Å; A228-E235 HydrophobicContact CB-CG 3.96Å; E235-D260 PolarHBondContact N-OD1 2.84Å
236	L	98.9	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-113	139.3	-172.2	-50.5	-172.1	0	0	0	111.3	T203 L212 A225 R234 L240 M241 D260 V289	T203-L236 HydrophobicContact CG2-CD2 4.11Å; L212-L236 HydrophobicContact CB-CD2 3.84Å; L212-L236 HydrophobicContact CD2-CD2 3.79Å; L212-L236 HydrophobicContact CG-CD2 4.16Å; A225-L236 HydrophobicContact CB-CD1 3.79Å; A225-L236 HydrophobicContact CB-CG 4.43Å; R234-L236 VanDerWaalsContact CZ-O 3.32Å; R234-L236 PolarHBondContact NE-O 3.38Å; R234-L236 PolarHBondContact NH2-O 2.92Å; L236-L240 HydrophobicContact CB-CD2 4.32Å; L236-L240 HydrophobicContact CD1-CD2 4.2Å; L236-L240 HydrophobicContact CD2-CD2 3.96Å; L236-L240 HydrophobicContact CG-CD2 4.39Å; L236-M241 HydrophobicContact CB-CG 3.95Å; L236-M241 HydrophobicContact CB-SD 3.99Å; L236-M241 HydrophobicContact CD1-SD 3.57Å; L236-M241 VanDerWaalsContact CD1-SD 3.57Å; L236-M241 HydrophobicContact CG-SD 4.37Å; L236-D260 PolarHBondContact N-OD1 2.71Å; L236-V289 HydrophobicContact CD1-CG1 3.86Å; L236-V289 HydrophobicContact CD1-CG2 4.26Å
237	D	98.9	Very high	97.4	Very high	20 Å²	20	34.1 Å²	34.1	11%	0.107	17%	0.173	C	C	.	.			trans	-76.7	174.4	178.5	94.8	-64.4	0	0	0	112.7	P210 L212 F213 G214 R234 E239 L240 M241	P210-D237 HydrophobicContact CB-CB 3.99Å; P210-D237 HydrophobicContact CG-CB 4.5Å; L212-D237 PolarHBondContact O-N 3.43Å; L212-D237 VanDerWaalsContact O-N 3.1Å; F213-D237 WeakPolarHBondContact CA-OD1 3.49Å; F213-D237 HydrophobicContact CD1-CB 3.66Å; F213-D237 HydrophobicContact CE1-CB 4.04Å; F213-D237 HydrophobicContact CG-CB 4.24Å; G214-D237 PolarHBondContact N-OD1 2.84Å; R234-D237 PolarHBondContact NH2-O 3.36Å; D237-E239 WeakPolarHBondContact OD2-CB 3.43Å; D237-E239 PolarHBondContact OD2-N 3.37Å; D237-L240 VanDerWaalsContact OD1-CB 3.32Å; D237-L240 WeakPolarHBondContact OD1-CB 3.39Å; D237-L240 PolarHBondContact OD1-N 3.3Å; D237-L240 VanDerWaalsContact OD1-N 3.09Å; D237-M241 WeakPolarHBondContact O-CB 3.25Å; D237-M241 VanDerWaalsContact O-CG 3.27Å; D237-M241 WeakPolarHBondContact O-CG 3.13Å; D237-M241 PolarHBondContact O-N 3.49Å
238	D	98.8	Very high	97.6	Very high	59 Å²	59	33.7 Å²	33.7	32%	0.316	17%	0.169	S	C	.	.	H	α-helix	trans	-67	-37.7	-178.9	-92.1	19.7	0	0	0	113.1	R234 M241 K242	R234-D238 IonicContact CZ-OD1 3.2Å; R234-D238 IonicContact NH1-OD1 2.89Å; R234-D238 PolarHBondContact NH1-OD1 3.41Å; R234-D238 IonicContact NH2-OD1 3.64Å; R234-D238 PolarHBondContact NH2-OD1 3.33Å; D238-M241 PolarHBondContact O-N 3.48Å; D238-K242 VanDerWaalsContact O-CB 3.29Å; D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 WeakPolarHBondContact O-CD 3.29Å; D238-K242 VanDerWaalsContact O-CG 3.24Å; D238-K242 WeakPolarHBondContact O-CG 3.33Å; D238-K242 PolarHBondContact O-N 2.88Å; D238-K242 IonicContact OD2-NZ 2.7Å; D238-K242 PolarHBondContact OD2-NZ 3.21Å
239	E	98.6	Very high	97.9	Very high	63 Å²	63	33.6 Å²	33.6	29%	0.294	17%	0.168	S	C	.	.	H	α-helix	trans	-64.8	-50	-176.7	-174.5	174.2	174.2	0	0	110.9	D237 M241 K242 Q243	D237-E239 WeakPolarHBondContact OD2-CB 3.43Å; D237-E239 PolarHBondContact OD2-N 3.37Å; E239-M241 VanDerWaalsContact C-N 3.33Å; E239-M241 PolarHBondContact O-N 2.96Å; E239-K242 PolarHBondContact O-N 3.33Å; E239-Q243 HydrophobicContact CG-CG 4.36Å; E239-Q243 WeakPolarHBondContact O-CB 3.39Å; E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.32Å; E239-Q243 PolarHBondContact OE1-NE2 2.84Å
240	L	98.8	Very high	98.2	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-46.5	177.5	-179.4	55.8	0	0	0	111.4	L212 V217 I223 L236 D237 K242 A244 T287 V289	L212-L240 HydrophobicContact CD2-CD2 3.87Å; L212-L240 HydrophobicContact CG-CD2 3.85Å; V217-L240 HydrophobicContact CB-CD1 4.47Å; V217-L240 HydrophobicContact CG1-CD1 4.38Å; V217-L240 HydrophobicContact CG2-CD1 4.09Å; V217-L240 HydrophobicContact CG2-CD2 4.24Å; I223-L240 HydrophobicContact CD1-CD1 4.09Å; L236-L240 HydrophobicContact CB-CD2 4.32Å; L236-L240 HydrophobicContact CD1-CD2 4.2Å; L236-L240 HydrophobicContact CD2-CD2 3.96Å; L236-L240 HydrophobicContact CG-CD2 4.39Å; D237-L240 VanDerWaalsContact OD1-CB 3.32Å; D237-L240 WeakPolarHBondContact OD1-CB 3.39Å; D237-L240 PolarHBondContact OD1-N 3.3Å; D237-L240 VanDerWaalsContact OD1-N 3.09Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 3.47Å; L240-A244 HydrophobicContact CD1-CB 4.42Å; L240-A244 WeakPolarHBondContact O-CB 3.41Å; L240-A244 PolarHBondContact O-N 3.11Å; L240-T287 HydrophobicContact CD1-CG2 3.99Å; L240-V289 HydrophobicContact CD1-CG2 4.34Å; L240-V289 HydrophobicContact CG-CG2 4.23Å
241	M	98.8	Very high	98.4	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-33.9	-178.4	-72.2	-58.6	-59.6	0	0	113.1	L236 D237 D238 E239 L246 D260 V261 S264 A266 V289	L236-M241 HydrophobicContact CB-CG 3.95Å; L236-M241 HydrophobicContact CB-SD 3.99Å; L236-M241 HydrophobicContact CD1-SD 3.57Å; L236-M241 VanDerWaalsContact CD1-SD 3.57Å; L236-M241 HydrophobicContact CG-SD 4.37Å; D237-M241 WeakPolarHBondContact O-CB 3.25Å; D237-M241 VanDerWaalsContact O-CG 3.27Å; D237-M241 WeakPolarHBondContact O-CG 3.13Å; D237-M241 PolarHBondContact O-N 3.49Å; D238-M241 PolarHBondContact O-N 3.48Å; E239-M241 VanDerWaalsContact C-N 3.33Å; E239-M241 PolarHBondContact O-N 2.96Å; M241-L246 HydrophobicContact CE-CD1 3.95Å; M241-L246 HydrophobicContact CE-CD2 3.99Å; M241-D260 HydrophobicContact CE-CB 4.25Å; M241-D260 HydrophobicContact SD-CB 4.13Å; M241-V261 HydrophobicContact CE-CG2 4.05Å; M241-S264 WeakPolarHBondContact CB-OG 3.47Å; M241-A266 HydrophobicContact CB-CB 4.17Å; M241-A266 HydrophobicContact CE-CB 3.98Å; M241-A266 WeakPolarHBondContact O-CB 3.21Å; M241-V289 HydrophobicContact SD-CG1 4.29Å
242	K	98.3	Very high	98.5	Very high	125 Å²	125	36.9 Å²	36.9	54%	0.543	18%	0.176	S	C	.	.	H	α-helix	trans	-82.6	-29.6	-179.4	-72.8	169.4	-177.6	159.5	0	113.4	D238 E239 L240 S264	D238-K242 VanDerWaalsContact O-CB 3.29Å; D238-K242 WeakPolarHBondContact O-CB 3.36Å; D238-K242 WeakPolarHBondContact O-CD 3.29Å; D238-K242 VanDerWaalsContact O-CG 3.24Å; D238-K242 WeakPolarHBondContact O-CG 3.33Å; D238-K242 PolarHBondContact O-N 2.88Å; D238-K242 IonicContact OD2-NZ 2.7Å; D238-K242 PolarHBondContact OD2-NZ 3.21Å; E239-K242 PolarHBondContact O-N 3.33Å; L240-K242 VanDerWaalsContact C-N 3.34Å; L240-K242 PolarHBondContact O-N 3.47Å; K242-S264 WeakPolarHBondContact CE-O 3.46Å
243	Q	97.3	Very high	98.6	Very high	139 Å²	139	32.8 Å²	32.8	65%	0.65	16%	0.155	S	C	*	.	H	α-helix	trans	-90.4	-30.6	-177.7	-67.2	-172.6	25.2	0	0	113.5	E239	E239-Q243 HydrophobicContact CG-CG 4.36Å; E239-Q243 WeakPolarHBondContact O-CB 3.39Å; E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.32Å; E239-Q243 PolarHBondContact OE1-NE2 2.84Å
244	A	98.8	Very high	98.7	Very high	11 Å²	11	32.1 Å²	32.1	9%	0.091	15%	0.153	C	C	.	.	S	Bend	trans	-74.4	152.1	-178.5	0	0	0	0	0	112.3	L240 L246 T287 V289	L240-A244 HydrophobicContact CD1-CB 4.42Å; L240-A244 WeakPolarHBondContact O-CB 3.41Å; L240-A244 PolarHBondContact O-N 3.11Å; A244-L246 PolarHBondContact O-N 3.3Å; A244-T287 CarbonylContact C-O 2.81Å; A244-T287 VanDerWaalsContact CA-O 3.31Å; A244-T287 WeakPolarHBondContact CA-O 3.46Å; A244-T287 HydrophobicContact CB-CG2 4.05Å; A244-V289 HydrophobicContact CB-CB 4.24Å; A244-V289 HydrophobicContact CB-CG2 3.58Å
245	V	98.9	Very high	98.7	Very high	24 Å²	24	36 Å²	36	15%	0.145	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.3	165.1	-174.6	0	0	0	0	108.1	Y247 F269 H283 K286 T287 T288 V289	V245-Y247 HydrophobicContact CB-CE2 3.96Å; V245-Y247 HydrophobicContact CG1-CD2 4.23Å; V245-Y247 HydrophobicContact CG1-CE2 3.46Å; V245-Y247 VanDerWaalsContact CG1-CE2 3.46Å; V245-Y247 WeakPolarHBondContact O-CD2 2.96Å; V245-F269 HydrophobicContact CG1-CB 3.77Å; V245-F269 HydrophobicContact CG1-CD1 3.71Å; V245-F269 HydrophobicContact CG1-CD2 4.26Å; V245-F269 HydrophobicContact CG1-CE1 4.39Å; V245-F269 HydrophobicContact CG1-CG 3.64Å; V245-H283 HydrophobicContact CG1-CB 4.47Å; V245-H283 HydrophobicContact CG2-CB 4.12Å; V245-K286 HydrophobicContact CG2-CB 4.08Å; V245-K286 HydrophobicContact CG2-CD 3.69Å; V245-T287 PolarHBondContact N-O 2.73Å; V245-T288 HydrophobicContact CB-CG2 4.31Å; V245-T288 WeakPolarHBondContact O-CA 3.46Å; V245-V289 PolarHBondContact O-N 3.42Å
246	L	98.9	Very high	98.6	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.4	-174.5	178.2	61.2	0	0	0	112.2	M241 A244 V248 V261 A266 I268 F269 V289 K291	M241-L246 HydrophobicContact CE-CD1 3.95Å; M241-L246 HydrophobicContact CE-CD2 3.99Å; A244-L246 PolarHBondContact O-N 3.3Å; L246-V248 HydrophobicContact CD1-CG1 4.33Å; L246-V248 HydrophobicContact CG-CG1 4.22Å; L246-V261 HydrophobicContact CD2-CG1 4.33Å; L246-V261 HydrophobicContact CD2-CG2 3.97Å; L246-A266 HydrophobicContact CD2-CB 3.96Å; L246-I268 HydrophobicContact CD2-CG1 3.87Å; L246-I268 HydrophobicContact CG-CG1 4.49Å; L246-F269 VanDerWaalsContact O-CB 3.28Å; L246-F269 WeakPolarHBondContact O-CB 3.42Å; L246-F269 PolarHBondContact O-N 3.14Å; L246-V289 HydrophobicContact CD1-CB 4.17Å; L246-V289 HydrophobicContact CD1-CG1 3.87Å; L246-K291 HydrophobicContact CD1-CB 4.21Å
247	Y	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.6	168.8	-62.3	-92.7	0	0	0	109.7	L131 V245 F269 A270 V275 P281 H283 T288 V289 F290 K291	L131-Y247 HydrophobicContact CD1-CD1 4.34Å; L131-Y247 HydrophobicContact CD1-CD2 3.71Å; L131-Y247 HydrophobicContact CD1-CE2 4.24Å; L131-Y247 HydrophobicContact CD1-CG 3.77Å; L131-Y247 HydrophobicContact CD2-CD1 4.3Å; L131-Y247 HydrophobicContact CD2-CD2 3.94Å; L131-Y247 HydrophobicContact CD2-CE1 3.99Å; L131-Y247 HydrophobicContact CD2-CE2 3.59Å; L131-Y247 HydrophobicContact CD2-CG 4.28Å; L131-Y247 HydrophobicContact CG-CD2 4.48Å; V245-Y247 HydrophobicContact CB-CE2 3.96Å; V245-Y247 HydrophobicContact CG1-CD2 4.23Å; V245-Y247 HydrophobicContact CG1-CE2 3.46Å; V245-Y247 VanDerWaalsContact CG1-CE2 3.46Å; V245-Y247 WeakPolarHBondContact O-CD2 2.96Å; Y247-F269 HydrophobicContact CD1-CD1 4.4Å; Y247-F269 AromaticContact CE1-CD1 3.67Å; Y247-F269 HydrophobicContact CE1-CD1 3.67Å; Y247-F269 HydrophobicContact CE1-CE1 4.02Å; Y247-F269 AromaticContact CZ-CD1 3.75Å; Y247-A270 CarbonylContact C-O 3.59Å; Y247-A270 VanDerWaalsContact CA-O 3.27Å; Y247-A270 WeakPolarHBondContact CA-O 3.19Å; Y247-A270 HydrophobicContact CD1-CB 3.74Å; Y247-A270 HydrophobicContact CE1-CB 3.81Å; Y247-V275 HydrophobicContact CD1-CG2 3.69Å; Y247-V275 HydrophobicContact CE1-CG2 3.46Å; Y247-V275 VanDerWaalsContact CE1-CG2 3.46Å; Y247-P281 PolarHBondContact OH-O 3.38Å; Y247-H283 PolarHBondContact OH-N 3.09Å; Y247-T288 HydrophobicContact CD2-CG2 4.47Å; Y247-T288 HydrophobicContact CE2-CG2 3.89Å; Y247-V289 PolarHBondContact N-O 3.04Å; Y247-F290 CarbonylContact O-C 3.48Å; Y247-F290 VanDerWaalsContact O-CA 3.31Å; Y247-F290 WeakPolarHBondContact O-CA 3.47Å; Y247-K291 PolarHBondContact O-N 3.02Å
248	V	98.9	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	165.1	177.3	-55.6	0	0	0	0	110.7	L246 R251 A254 I268 A270 E271 L272 K291	L246-V248 HydrophobicContact CD1-CG1 4.33Å; L246-V248 HydrophobicContact CG-CG1 4.22Å; V248-R251 HydrophobicContact CG2-CG 4.13Å; V248-A254 HydrophobicContact CB-CB 4.08Å; V248-A254 HydrophobicContact CG1-CB 3.78Å; V248-A254 HydrophobicContact CG2-CB 4.41Å; V248-I268 HydrophobicContact CB-CG2 4.37Å; V248-I268 HydrophobicContact CG1-CD1 4.05Å; V248-I268 HydrophobicContact CG1-CG1 3.95Å; V248-I268 HydrophobicContact CG1-CG2 3.85Å; V248-I268 HydrophobicContact CG2-CD1 4.39Å; V248-I268 HydrophobicContact CG2-CG2 3.6Å; V248-A270 PolarHBondContact N-O 3.23Å; V248-E271 HydrophobicContact CG2-CG 3.92Å; V248-E271 CarbonylContact O-C 3.52Å; V248-E271 VanDerWaalsContact O-CA 3.25Å; V248-E271 WeakPolarHBondContact O-CA 3.5Å; V248-L272 PolarHBondContact O-N 3.01Å; V248-K291 WeakPolarHBondContact CA-O 3.08Å; V248-K291 HydrophobicContact CG1-CB 4.25Å
249	D	98.8	Very high	98.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.177	C	C	.	.	S	Bend	trans	-75.6	-47.3	168.5	50.8	6.5	0	0	0	111.7	F290 K291 L293 G294 M295	D249-F290 HydrophobicContact CB-CE2 4.23Å; D249-F290 HydrophobicContact CB-CZ 4.23Å; D249-K291 PolarHBondContact N-O 2.91Å; D249-L293 PolarHBondContact OD2-N 3.49Å; D249-G294 PolarHBondContact OD2-N 2.89Å; D249-M295 HydrophobicContact CB-CE 4.03Å; D249-M295 HydrophobicContact CB-CG 4.19Å; D249-M295 HydrophobicContact CB-SD 4.19Å
250	S	98.9	Very high	98.6	Very high	5 Å²	5	34.4 Å²	34.4	4%	0.035	16%	0.163	C	C	.	.			trans	-138.6	129.7	173.8	169.1	0	0	0	0	111	E252 A253 A254	S250-E252 PolarHBondContact OG-N 3.49Å; S250-A253 PolarHBondContact O-N 3.15Å; S250-A253 PolarHBondContact OG-N 3.1Å; S250-A254 VanDerWaalsContact O-CB 3.32Å; S250-A254 WeakPolarHBondContact O-CB 3.12Å; S250-A254 PolarHBondContact O-N 2.99Å
251	R	98.8	Very high	98.6	Very high	67 Å²	67	34.4 Å²	34.4	25%	0.253	16%	0.163	S	C	.	.	H	α-helix	trans	-59.7	-47.2	174.2	-78.4	176.9	-176.6	90.8	-5.1	112.2	V248 A253 A254 L255 I268 F269 E271 E274	V248-R251 HydrophobicContact CG2-CG 4.13Å; R251-A253 VanDerWaalsContact C-N 3.31Å; R251-A253 PolarHBondContact O-N 3.11Å; R251-A254 PolarHBondContact O-N 3.05Å; R251-L255 WeakPolarHBondContact O-CB 3.32Å; R251-L255 VanDerWaalsContact O-CG 3.29Å; R251-L255 WeakPolarHBondContact O-CG 3.49Å; R251-L255 PolarHBondContact O-N 2.94Å; R251-I268 HydrophobicContact CB-CD1 4.46Å; R251-I268 HydrophobicContact CG-CB 4.48Å; R251-I268 HydrophobicContact CG-CD1 4.22Å; R251-I268 HydrophobicContact CG-CG2 3.83Å; R251-F269 PolarHBondContact NH2-O 3.19Å; R251-E271 WeakPolarHBondContact CB-OE1 3.48Å; R251-E271 HydrophobicContact CG-CG 4.06Å; R251-E271 PolarHBondContact N-OE1 2.97Å; R251-E271 VanDerWaalsContact NH1-CG 3.34Å; R251-E271 IonicContact NH1-OE1 2.89Å; R251-E271 IonicContact NH1-OE2 2.98Å; R251-E274 IonicContact CZ-OE2 2.84Å; R251-E274 IonicContact NH1-OE1 3.71Å; R251-E274 IonicContact NH1-OE2 2.72Å; R251-E274 PolarHBondContact NH1-OE2 2.92Å; R251-E274 IonicContact NH2-OE1 3.39Å; R251-E274 IonicContact NH2-OE2 3.61Å; R251-E274 PolarHBondContact NH2-OE2 3.29Å
252	E	98.6	Very high	98.5	Very high	115 Å²	115	37.7 Å²	37.7	54%	0.537	18%	0.181	S	C	.	.	H	α-helix	trans	-60.8	-42.9	-178.4	-172	-175.5	172.4	0	0	111	V46 S250 K256	V46-E252 HydrophobicContact CB-CG 4.17Å; V46-E252 WeakPolarHBondContact CG1-OE1 3.42Å; V46-E252 HydrophobicContact CG2-CG 4.44Å; S250-E252 PolarHBondContact OG-N 3.49Å; E252-K256 WeakPolarHBondContact O-CB 3.18Å; E252-K256 PolarHBondContact O-N 3.09Å
253	A	98.4	Very high	98.6	Very high	10 Å²	10	36.4 Å²	36.4	8%	0.083	18%	0.179	C	C	.	.	H	α-helix	trans	-67.3	-47	176.8	0	0	0	0	0	111.5	V46 S250 R251 L255 K256 E257 L293	V46-A253 HydrophobicContact CG2-CB 4.44Å; S250-A253 PolarHBondContact O-N 3.15Å; S250-A253 PolarHBondContact OG-N 3.1Å; R251-A253 VanDerWaalsContact C-N 3.31Å; R251-A253 PolarHBondContact O-N 3.11Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3.22Å; A253-K256 PolarHBondContact O-N 3.49Å; A253-E257 WeakPolarHBondContact O-CB 3.18Å; A253-E257 PolarHBondContact O-N 2.65Å; A253-L293 HydrophobicContact CB-CD1 3.81Å; A253-L293 VanDerWaalsContact O-CD1 3.31Å; A253-L293 WeakPolarHBondContact O-CD1 3.02Å
254	A	98.6	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.9	-45.8	179.8	0	0	0	0	0	112.5	V248 S250 R251 K256 S258 V261 I268 L293	V248-A254 HydrophobicContact CB-CB 4.08Å; V248-A254 HydrophobicContact CG1-CB 3.78Å; V248-A254 HydrophobicContact CG2-CB 4.41Å; S250-A254 VanDerWaalsContact O-CB 3.32Å; S250-A254 WeakPolarHBondContact O-CB 3.12Å; S250-A254 PolarHBondContact O-N 2.99Å; R251-A254 PolarHBondContact O-N 3.05Å; A254-K256 PolarHBondContact O-N 2.82Å; A254-S258 WeakPolarHBondContact O-CB 3.3Å; A254-S258 PolarHBondContact O-N 2.79Å; A254-V261 HydrophobicContact CB-CG2 4.5Å; A254-I268 HydrophobicContact CB-CD1 3.76Å; A254-L293 VanDerWaalsContact CA-CD1 3.47Å; A254-L293 HydrophobicContact CB-CD1 4.35Å
255	L	98.6	Very high	98.6	Very high	105 Å²	105	32.3 Å²	32.3	55%	0.55	17%	0.174	S	C	.	.	H	α-helix	trans	-72.6	-2.4	178.4	-65.9	172	0	0	0	114.1	R251 A253 V261 L262 I268	R251-L255 WeakPolarHBondContact O-CB 3.32Å; R251-L255 VanDerWaalsContact O-CG 3.29Å; R251-L255 WeakPolarHBondContact O-CG 3.49Å; R251-L255 PolarHBondContact O-N 2.94Å; A253-L255 VanDerWaalsContact C-N 3.34Å; A253-L255 PolarHBondContact O-N 3.22Å; L255-V261 HydrophobicContact CD2-CG1 4.44Å; L255-L262 WeakPolarHBondContact O-CD2 3.49Å; L255-I268 HydrophobicContact CD1-CD1 4.45Å; L255-I268 HydrophobicContact CD2-CD1 4.02Å; L255-I268 HydrophobicContact CG-CD1 3.87Å
256	K	97.9	Very high	98.6	Very high	98 Å²	98	31.8 Å²	31.8	43%	0.426	17%	0.172	S	C	.	.	H	α-helix	trans	-116.1	-36	178.1	-174	-173.4	-179	-171.6	0	112.7	V46 R47 E252 A253 A254	V46-K256 HydrophobicContact CG1-CD 4.07Å; V46-K256 HydrophobicContact CG2-CD 3.62Å; R47-K256 PolarHBondContact O-NZ 2.98Å; E252-K256 WeakPolarHBondContact O-CB 3.18Å; E252-K256 PolarHBondContact O-N 3.09Å; A253-K256 PolarHBondContact O-N 3.49Å; A254-K256 PolarHBondContact O-N 2.82Å
257	E	97.6	Very high	98.5	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-118.3	-17.5	-164.1	-53.4	-171.2	132.2	0	0	113.8	R47 S229 R230 P231 A253 L293	R47-E257 WeakPolarHBondContact CB-OE1 3.4Å; R47-E257 WeakPolarHBondContact CD-OE1 3.38Å; R47-E257 IonicContact NE-OE1 3.69Å; R47-E257 IonicContact NE-OE2 3.52Å; S229-E257 CarbonylContact C-O 3.57Å; R230-E257 CarbonylContact C-O 3.6Å; R230-E257 WeakPolarHBondContact CA-O 3.45Å; R230-E257 PolarHBondContact N-O 2.91Å; P231-E257 VanDerWaalsContact N-O 3.08Å; A253-E257 WeakPolarHBondContact O-CB 3.18Å; A253-E257 PolarHBondContact O-N 2.65Å; E257-L293 HydrophobicContact CB-CD1 3.89Å; E257-L293 HydrophobicContact CB-CD2 4.03Å
258	S	98.4	Very high	98.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.			trans	-99	110.7	-175.6	-177.8	0	0	0	0	112.1	A254 D260 V261 L262 K291	A254-S258 WeakPolarHBondContact O-CB 3.3Å; A254-S258 PolarHBondContact O-N 2.79Å; S258-D260 VanDerWaalsContact C-N 3.31Å; S258-D260 PolarHBondContact O-N 3.03Å; S258-V261 PolarHBondContact O-N 3.03Å; S258-V261 PolarHBondContact OG-N 2.97Å; S258-L262 WeakPolarHBondContact O-CB 3.45Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.88Å; S258-K291 WeakPolarHBondContact OG-CD 3.26Å; S258-K291 VanDerWaalsContact OG-CE 3.25Å; S258-K291 WeakPolarHBondContact OG-CE 3.34Å
259	G	98.6	Very high	98.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-31.9	171.7	0	0	0	0	0	113.1	R230 P231 W233 V261 L262 L263	R230-G259 PolarHBondContact O-N 2.85Å; P231-G259 WeakPolarHBondContact O-CA 3.25Å; W233-G259 CarbonylContact O-C 3.55Å; W233-G259 WeakPolarHBondContact O-CA 3.49Å; G259-V261 VanDerWaalsContact C-N 3.27Å; G259-V261 PolarHBondContact O-N 2.86Å; G259-L262 PolarHBondContact O-N 2.76Å; G259-L263 WeakPolarHBondContact O-CB 3.37Å; G259-L263 VanDerWaalsContact O-CG 3.32Å; G259-L263 WeakPolarHBondContact O-CG 3.34Å; G259-L263 PolarHBondContact O-N 3.12Å
260	D	98.8	Very high	98.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-55.3	-43.6	172.1	-63.3	-60.7	0	0	0	111.5	A228 W233 R234 E235 L236 M241 S258 S264 K291	A228-D260 WeakPolarHBondContact CB-OD2 3.29Å; W233-D260 PolarHBondContact O-N 2.74Å; R234-D260 VanDerWaalsContact CA-OD1 3.24Å; R234-D260 WeakPolarHBondContact CA-OD1 3.12Å; R234-D260 WeakPolarHBondContact CB-OD1 3.28Å; E235-D260 PolarHBondContact N-OD1 2.84Å; L236-D260 PolarHBondContact N-OD1 2.71Å; M241-D260 HydrophobicContact CE-CB 4.25Å; M241-D260 HydrophobicContact SD-CB 4.13Å; S258-D260 VanDerWaalsContact C-N 3.31Å; S258-D260 PolarHBondContact O-N 3.03Å; D260-S264 WeakPolarHBondContact O-CB 3.32Å; D260-S264 PolarHBondContact O-OG 3.23Å; D260-K291 HydrophobicContact CB-CD 4.46Å; D260-K291 IonicContact OD2-NZ 3.39Å; D260-K291 PolarHBondContact OD2-NZ 2.92Å
261	V	98.8	Very high	98.5	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-76.6	-52.2	178.6	179	0	0	0	0	111.1	M241 L246 A254 L255 S258 G259 L263 S264 G265 I268 K291	M241-V261 HydrophobicContact CE-CG2 4.05Å; L246-V261 HydrophobicContact CD2-CG1 4.33Å; L246-V261 HydrophobicContact CD2-CG2 3.97Å; A254-V261 HydrophobicContact CB-CG2 4.5Å; L255-V261 HydrophobicContact CD2-CG1 4.44Å; S258-V261 PolarHBondContact O-N 3.03Å; S258-V261 PolarHBondContact OG-N 2.97Å; G259-V261 VanDerWaalsContact C-N 3.27Å; G259-V261 PolarHBondContact O-N 2.86Å; V261-L263 PolarHBondContact O-N 2.95Å; V261-S264 PolarHBondContact O-OG 2.93Å; V261-G265 PolarHBondContact O-N 3.17Å; V261-G265 VanDerWaalsContact O-N 3.1Å; V261-I268 HydrophobicContact CG1-CD1 4.32Å; V261-I268 HydrophobicContact CG1-CG1 4.26Å; V261-K291 HydrophobicContact CG2-CG 4.26Å
262	L	98.7	Very high	98.5	Very high	74 Å²	74	41.1 Å²	41.1	39%	0.387	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-44	-174	-76.1	169.9	0	0	0	113.4	P231 L255 S258 G259	P231-L262 HydrophobicContact CB-CD1 3.6Å; L255-L262 WeakPolarHBondContact O-CD2 3.49Å; S258-L262 WeakPolarHBondContact O-CB 3.45Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.88Å; G259-L262 PolarHBondContact O-N 2.76Å
263	L	98.6	Very high	98.6	Very high	97 Å²	97	35.6 Å²	35.6	51%	0.508	20%	0.197	S	C	.	.	H	α-helix	trans	-84.8	-24.9	-172.8	-58.3	173.1	0	0	0	112.4	R234 G259 V261	R234-L263 HydrophobicContact CG-CD1 3.87Å; G259-L263 WeakPolarHBondContact O-CB 3.37Å; G259-L263 VanDerWaalsContact O-CG 3.32Å; G259-L263 WeakPolarHBondContact O-CG 3.34Å; G259-L263 PolarHBondContact O-N 3.12Å; V261-L263 PolarHBondContact O-N 2.95Å
264	S	98.6	Very high	98.6	Very high	8 Å²	8	36.3 Å²	36.3	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-80.9	-24.4	173	66.3	0	0	0	0	112.9	M241 K242 D260 V261 A266	M241-S264 WeakPolarHBondContact CB-OG 3.47Å; K242-S264 WeakPolarHBondContact CE-O 3.46Å; D260-S264 WeakPolarHBondContact O-CB 3.32Å; D260-S264 PolarHBondContact O-OG 3.23Å; V261-S264 PolarHBondContact O-OG 2.93Å; S264-A266 VanDerWaalsContact C-N 3.27Å; S264-A266 WeakPolarHBondContact OG-CB 3.49Å; S264-A266 PolarHBondContact OG-N 3.45Å
265	G	98.4	Very high	98.6	Very high	57 Å²	57	36.7 Å²	36.7	59%	0.588	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	25.1	-171.9	0	0	0	0	0	113.1	V261	V261-G265 PolarHBondContact O-N 3.17Å; V261-G265 VanDerWaalsContact O-N 3.1Å
266	A	98.2	Very high	98.6	Very high	12 Å²	12	33.2 Å²	33.2	10%	0.099	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-68.9	137.7	-180	0	0	0	0	0	112.1	M241 L246 S264	M241-A266 HydrophobicContact CB-CB 4.17Å; M241-A266 HydrophobicContact CE-CB 3.98Å; M241-A266 WeakPolarHBondContact O-CB 3.21Å; L246-A266 HydrophobicContact CD2-CB 3.96Å; S264-A266 VanDerWaalsContact C-N 3.27Å; S264-A266 WeakPolarHBondContact OG-CB 3.49Å; S264-A266 PolarHBondContact OG-N 3.45Å
267	D	98.3	Very high	98.6	Very high	149 Å²	149	30.9 Å²	30.9	80%	0.797	18%	0.18	S	C	*	.	P	Polyproline II helix	trans	-79.6	127.1	177.1	-72	-38.4	0	0	0	110.9	F269	D267-F269 PolarHBondContact O-N 3.21Å
268	I	98.9	Very high	98.6	Very high	30 Å²	30	33.4 Å²	33.4	15%	0.154	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.6	175.3	-60.4	169.1	0	0	0	109.3	L246 V248 R251 A254 L255 V261	L246-I268 HydrophobicContact CD2-CG1 3.87Å; L246-I268 HydrophobicContact CG-CG1 4.49Å; V248-I268 HydrophobicContact CB-CG2 4.37Å; V248-I268 HydrophobicContact CG1-CD1 4.05Å; V248-I268 HydrophobicContact CG1-CG1 3.95Å; V248-I268 HydrophobicContact CG1-CG2 3.85Å; V248-I268 HydrophobicContact CG2-CD1 4.39Å; V248-I268 HydrophobicContact CG2-CG2 3.6Å; R251-I268 HydrophobicContact CB-CD1 4.46Å; R251-I268 HydrophobicContact CG-CB 4.48Å; R251-I268 HydrophobicContact CG-CD1 4.22Å; R251-I268 HydrophobicContact CG-CG2 3.83Å; A254-I268 HydrophobicContact CB-CD1 3.76Å; L255-I268 HydrophobicContact CD1-CD1 4.45Å; L255-I268 HydrophobicContact CD2-CD1 4.02Å; L255-I268 HydrophobicContact CG-CD1 3.87Å; V261-I268 HydrophobicContact CG1-CD1 4.32Å; V261-I268 HydrophobicContact CG1-CG1 4.26Å
269	F	98.9	Very high	98.6	Very high	74 Å²	74	38 Å²	38	33%	0.325	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-54.8	178.1	177.7	-101.2	0	0	0	111.9	V245 L246 Y247 R251 D267 P281 H283	V245-F269 HydrophobicContact CG1-CB 3.77Å; V245-F269 HydrophobicContact CG1-CD1 3.71Å; V245-F269 HydrophobicContact CG1-CD2 4.26Å; V245-F269 HydrophobicContact CG1-CE1 4.39Å; V245-F269 HydrophobicContact CG1-CG 3.64Å; L246-F269 VanDerWaalsContact O-CB 3.28Å; L246-F269 WeakPolarHBondContact O-CB 3.42Å; L246-F269 PolarHBondContact O-N 3.14Å; Y247-F269 HydrophobicContact CD1-CD1 4.4Å; Y247-F269 AromaticContact CE1-CD1 3.67Å; Y247-F269 HydrophobicContact CE1-CD1 3.67Å; Y247-F269 HydrophobicContact CE1-CE1 4.02Å; Y247-F269 AromaticContact CZ-CD1 3.75Å; R251-F269 PolarHBondContact NH2-O 3.19Å; D267-F269 PolarHBondContact O-N 3.21Å; F269-P281 HydrophobicContact CE1-CG 4.12Å; F269-P281 HydrophobicContact CZ-CG 3.78Å; F269-H283 AromaticContact CE1-CD2 3.72Å; F269-H283 AromaticContact CE1-NE2 3.97Å; F269-H283 AromaticContact CE2-NE2 3.87Å; F269-H283 AromaticContact CZ-CD2 3.52Å; F269-H283 AromaticContact CZ-NE2 3.32Å; F269-H283 VanDerWaalsContact CZ-NE2 3.32Å; F269-H283 WeakPolarHBondContact CZ-NE2 3.33Å
270	A	98.9	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.8	-174.7	0	0	0	0	0	112.7	Y247 V248 V275 K280	Y247-A270 CarbonylContact C-O 3.59Å; Y247-A270 VanDerWaalsContact CA-O 3.27Å; Y247-A270 WeakPolarHBondContact CA-O 3.19Å; Y247-A270 HydrophobicContact CD1-CB 3.74Å; Y247-A270 HydrophobicContact CE1-CB 3.81Å; V248-A270 PolarHBondContact N-O 3.23Å; A270-V275 HydrophobicContact CB-CG2 4.26Å; A270-K280 HydrophobicContact CB-CB 3.72Å; A270-K280 HydrophobicContact CB-CD 4.41Å; A270-K280 HydrophobicContact CB-CG 3.71Å
271	E	98.9	Very high	98.6	Very high	19 Å²	19	44.9 Å²	44.9	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	148.4	157.5	-78.7	170.5	-172	0	0	110.1	S35 V248 R251 G273 E274 V275	S35-E271 WeakPolarHBondContact CB-OE2 3.38Å; S35-E271 VanDerWaalsContact OG-CB 3.31Å; S35-E271 WeakPolarHBondContact OG-CB 3.26Å; S35-E271 PolarHBondContact OG-OE2 3.37Å; V248-E271 HydrophobicContact CG2-CG 3.92Å; V248-E271 CarbonylContact O-C 3.52Å; V248-E271 VanDerWaalsContact O-CA 3.25Å; V248-E271 WeakPolarHBondContact O-CA 3.5Å; R251-E271 WeakPolarHBondContact CB-OE1 3.48Å; R251-E271 HydrophobicContact CG-CG 4.06Å; R251-E271 PolarHBondContact N-OE1 2.97Å; R251-E271 VanDerWaalsContact NH1-CG 3.34Å; R251-E271 IonicContact NH1-OE1 2.89Å; R251-E271 IonicContact NH1-OE2 2.98Å; E271-G273 PolarHBondContact O-N 3.24Å; E271-E274 HydrophobicContact CB-CG 4.28Å; E271-E274 PolarHBondContact N-OE2 3.2Å; E271-E274 WeakPolarHBondContact O-CB 3.13Å; E271-E274 PolarHBondContact O-N 2.87Å; E271-E274 VanDerWaalsContact O-N 3.08Å; E271-V275 PolarHBondContact O-N 2.62Å
272	L	98.9	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-36.6	177.7	-178.1	60	0	0	0	111.6	L31 V123 I126 A127 V248 E274 V275 V276 F290	L31-L272 HydrophobicContact CD1-CD2 3.84Å; L31-L272 HydrophobicContact CD1-CG 4.29Å; V123-L272 HydrophobicContact CG1-CD2 3.97Å; I126-L272 HydrophobicContact CG2-CD2 4.13Å; I126-L272 HydrophobicContact CG2-CG 4.47Å; A127-L272 HydrophobicContact CB-CD1 4.11Å; A127-L272 HydrophobicContact CB-CD2 3.96Å; V248-L272 PolarHBondContact O-N 3.01Å; L272-E274 VanDerWaalsContact C-N 3.28Å; L272-E274 PolarHBondContact O-N 2.89Å; L272-V275 WeakPolarHBondContact O-CB 3.19Å; L272-V275 PolarHBondContact O-N 2.95Å; L272-V275 VanDerWaalsContact O-N 3.08Å; L272-V276 HydrophobicContact CD1-CG2 4.49Å; L272-V276 HydrophobicContact CG-CG2 4.35Å; L272-V276 WeakPolarHBondContact O-CG2 3.3Å; L272-V276 PolarHBondContact O-N 2.78Å; L272-F290 HydrophobicContact CB-CD2 4.5Å; L272-F290 HydrophobicContact CB-CE2 3.95Å; L272-F290 HydrophobicContact CD2-CD2 4.5Å; L272-F290 HydrophobicContact CD2-CE1 4.42Å; L272-F290 HydrophobicContact CD2-CE2 3.84Å; L272-F290 HydrophobicContact CD2-CZ 3.8Å; L272-F290 HydrophobicContact CG-CE2 4.46Å
273	G	98.8	Very high	98.6	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-31.9	176.3	0	0	0	0	0	114.1	L31 S35 E271 V275 S277	L31-G273 WeakPolarHBondContact O-CA 3.33Å; S35-G273 WeakPolarHBondContact OG-CA 3.27Å; E271-G273 PolarHBondContact O-N 3.24Å; G273-V275 VanDerWaalsContact C-N 3.34Å; G273-S277 WeakPolarHBondContact O-CB 3.33Å; G273-S277 PolarHBondContact O-N 3.34Å; G273-S277 PolarHBondContact O-OG 2.85Å
274	E	98.9	Very high	98.6	Very high	25 Å²	25	43.2 Å²	43.2	12%	0.117	27%	0.271	C	S	.	.	H	α-helix	trans	-70.9	-31.4	174.2	-62.5	174	102.3	0	0	112.1	R251 E271 L272 S277 G278 V279 K280	R251-E274 IonicContact CZ-OE2 2.84Å; R251-E274 IonicContact NH1-OE1 3.71Å; R251-E274 IonicContact NH1-OE2 2.72Å; R251-E274 PolarHBondContact NH1-OE2 2.92Å; R251-E274 IonicContact NH2-OE1 3.39Å; R251-E274 IonicContact NH2-OE2 3.61Å; R251-E274 PolarHBondContact NH2-OE2 3.29Å; E271-E274 HydrophobicContact CB-CG 4.28Å; E271-E274 PolarHBondContact N-OE2 3.2Å; E271-E274 WeakPolarHBondContact O-CB 3.13Å; E271-E274 PolarHBondContact O-N 2.87Å; E271-E274 VanDerWaalsContact O-N 3.08Å; L272-E274 VanDerWaalsContact C-N 3.28Å; L272-E274 PolarHBondContact O-N 2.89Å; E274-S277 WeakPolarHBondContact CA-OG 3.41Å; E274-S277 PolarHBondContact O-OG 3.16Å; E274-G278 PolarHBondContact O-N 2.84Å; E274-V279 HydrophobicContact CB-CB 4.3Å; E274-V279 PolarHBondContact O-N 3.38Å; E274-K280 HydrophobicContact CB-CB 3.85Å; E274-K280 HydrophobicContact CB-CG 3.51Å; E274-K280 HydrophobicContact CG-CG 4.21Å; E274-K280 PolarHBondContact O-N 2.7Å; E274-K280 WeakPolarHBondContact OE1-CE 3.48Å
275	V	98.8	Very high	98.5	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	31%	0.305	C	S	.	.	H	α-helix	trans	-72.1	-46.4	174.2	-178	0	0	0	0	110.2	F130 Y247 A270 E271 L272 G273 S277 G278 K280 A282	F130-V275 HydrophobicContact CB-CG1 4.08Å; F130-V275 HydrophobicContact CD1-CG1 3.96Å; F130-V275 HydrophobicContact CG-CG1 4.15Å; Y247-V275 HydrophobicContact CD1-CG2 3.69Å; Y247-V275 HydrophobicContact CE1-CG2 3.46Å; Y247-V275 VanDerWaalsContact CE1-CG2 3.46Å; A270-V275 HydrophobicContact CB-CG2 4.26Å; E271-V275 PolarHBondContact O-N 2.62Å; L272-V275 WeakPolarHBondContact O-CB 3.19Å; L272-V275 PolarHBondContact O-N 2.95Å; L272-V275 VanDerWaalsContact O-N 3.08Å; G273-V275 VanDerWaalsContact C-N 3.34Å; V275-S277 VanDerWaalsContact C-N 3.25Å; V275-S277 PolarHBondContact O-N 2.92Å; V275-G278 PolarHBondContact O-N 2.94Å; V275-K280 HydrophobicContact CG2-CB 4.25Å; V275-A282 HydrophobicContact CG1-CB 3.9Å
276	V	98.6	Very high	98.5	Very high	31 Å²	31	53.7 Å²	53.7	19%	0.188	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-37.6	177.9	174	0	0	0	0	111.6	E28 A32 I126 F130 L272 G278	E28-V276 HydrophobicContact CB-CG1 3.88Å; E28-V276 HydrophobicContact CG-CG1 4.31Å; E28-V276 WeakPolarHBondContact O-CG1 3.44Å; A32-V276 HydrophobicContact CB-CG1 4.13Å; I126-V276 HydrophobicContact CG2-CG2 3.98Å; F130-V276 HydrophobicContact CD2-CG2 4.36Å; F130-V276 HydrophobicContact CE2-CG2 3.9Å; F130-V276 HydrophobicContact CZ-CG2 4.3Å; L272-V276 HydrophobicContact CD1-CG2 4.49Å; L272-V276 HydrophobicContact CG-CG2 4.35Å; L272-V276 WeakPolarHBondContact O-CG2 3.3Å; L272-V276 PolarHBondContact O-N 2.78Å; V276-G278 VanDerWaalsContact C-N 3.34Å
277	S	98.1	Very high	98.6	Very high	50 Å²	50	54.6 Å²	54.6	35%	0.35	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.1	177.4	55.9	0	0	0	0	114.7	G273 E274 V275 V279	G273-S277 WeakPolarHBondContact O-CB 3.33Å; G273-S277 PolarHBondContact O-N 3.34Å; G273-S277 PolarHBondContact O-OG 2.85Å; E274-S277 WeakPolarHBondContact CA-OG 3.41Å; E274-S277 PolarHBondContact O-OG 3.16Å; V275-S277 VanDerWaalsContact C-N 3.25Å; V275-S277 PolarHBondContact O-N 2.92Å; S277-V279 VanDerWaalsContact C-N 3.28Å; S277-V279 PolarHBondContact O-N 3.48Å
278	G	98.3	Very high	98.6	Very high	64 Å²	64	47.5 Å²	47.5	66%	0.66	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	9.8	-179.4	0	0	0	0	0	115.3	E274 V275 V276	E274-G278 PolarHBondContact O-N 2.84Å; V275-G278 PolarHBondContact O-N 2.94Å; V276-G278 VanDerWaalsContact C-N 3.34Å
279	V	98.3	Very high	98.6	Very high	98 Å²	98	46.1 Å²	46.1	59%	0.594	26%	0.261	S	S	*	.	S	Bend	trans	-74.5	-33.9	176.2	175.1	0	0	0	0	111.4	E274 S277	E274-V279 HydrophobicContact CB-CB 4.3Å; E274-V279 PolarHBondContact O-N 3.38Å; S277-V279 VanDerWaalsContact C-N 3.28Å; S277-V279 PolarHBondContact O-N 3.48Å
280	K	98.7	Very high	98.6	Very high	76 Å²	76	42.6 Å²	42.6	33%	0.33	25%	0.246	S	C	.	.	S	Bend	trans	-117.7	144.6	175.1	-68.7	-66.3	-173.1	-156.9	0	110.9	A270 E274 V275	A270-K280 HydrophobicContact CB-CB 3.72Å; A270-K280 HydrophobicContact CB-CD 4.41Å; A270-K280 HydrophobicContact CB-CG 3.71Å; E274-K280 HydrophobicContact CB-CB 3.85Å; E274-K280 HydrophobicContact CB-CG 3.51Å; E274-K280 HydrophobicContact CG-CG 4.21Å; E274-K280 PolarHBondContact O-N 2.7Å; E274-K280 WeakPolarHBondContact OE1-CE 3.48Å; V275-K280 HydrophobicContact CG2-CB 4.25Å
281	P	98.5	Very high	98.6	Very high	67 Å²	67	42.6 Å²	42.6	44%	0.435	25%	0.246	S	C	.	.			trans	-75.6	151.4	178.3	32.7	-35.9	0	0	0	111.8	Y247 F269	Y247-P281 PolarHBondContact OH-O 3.38Å; F269-P281 HydrophobicContact CE1-CG 4.12Å; F269-P281 HydrophobicContact CZ-CG 3.78Å
282	A	98.6	Very high	98.6	Very high	37 Å²	37	41.7 Å²	41.7	31%	0.306	24%	0.242	S	C	.	.			trans	-89.3	114.1	165.3	0	0	0	0	0	109.7	F130 L131 V275 C284	F130-A282 WeakPolarHBondContact O-CB 3.44Å; L131-A282 HydrophobicContact CD2-CB 3.99Å; V275-A282 HydrophobicContact CG1-CB 3.9Å; A282-C284 VanDerWaalsContact C-N 3.25Å; A282-C284 PolarHBondContact O-N 2.9Å
283	H	98.4	Very high	98.6	Very high	63 Å²	63	42.2 Å²	42.2	29%	0.292	25%	0.245	S	C	.	.			trans	-89.5	53.9	177.1	-70.7	-54.8	0	0	0	111.7	V245 Y247 F269 E285 K286 T288	V245-H283 HydrophobicContact CG1-CB 4.47Å; V245-H283 HydrophobicContact CG2-CB 4.12Å; Y247-H283 PolarHBondContact OH-N 3.09Å; F269-H283 AromaticContact CE1-CD2 3.72Å; F269-H283 AromaticContact CE1-NE2 3.97Å; F269-H283 AromaticContact CE2-NE2 3.87Å; F269-H283 AromaticContact CZ-CD2 3.52Å; F269-H283 AromaticContact CZ-NE2 3.32Å; F269-H283 VanDerWaalsContact CZ-NE2 3.32Å; F269-H283 WeakPolarHBondContact CZ-NE2 3.33Å; H283-E285 PolarHBondContact O-N 3.44Å; H283-E285 VanDerWaalsContact O-N 3.15Å; H283-K286 HydrophobicContact CB-CB 4.45Å; H283-K286 HydrophobicContact CB-CD 4.2Å; H283-K286 HydrophobicContact CB-CG 4.47Å; H283-K286 WeakPolarHBondContact O-CB 3.41Å; H283-K286 PolarHBondContact O-N 3.13Å; H283-T288 WeakPolarHBondContact O-CG2 3.26Å
284	C	98	Very high	98.5	Very high	40 Å²	40	42.4 Å²	42.4	27%	0.27	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.5	-172.6	60.6	0	0	0	0	115.1	L131 K132 P133 A282 K286	L131-C284 WeakPolarHBondContact O-CA 3.36Å; K132-C284 WeakPolarHBondContact O-CB 3.46Å; P133-C284 WeakPolarHBondContact CA-O 3.34Å; A282-C284 VanDerWaalsContact C-N 3.25Å; A282-C284 PolarHBondContact O-N 2.9Å; C284-K286 VanDerWaalsContact C-N 3.3Å
285	E	97.8	Very high	98.5	Very high	165 Å²	165	41.4 Å²	41.4	77%	0.771	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.8	173.4	-61.9	179.8	176.8	0	0	113.3	H283	H283-E285 PolarHBondContact O-N 3.44Å; H283-E285 VanDerWaalsContact O-N 3.15Å
286	K	98.6	Very high	98.5	Very high	120 Å²	120	41.2 Å²	41.2	52%	0.522	24%	0.241	S	C	.	.	S	Bend	trans	-96.9	161.6	176.7	-65	-177.8	178.8	-70.5	0	110.1	V245 H283 C284 T288	V245-K286 HydrophobicContact CG2-CB 4.08Å; V245-K286 HydrophobicContact CG2-CD 3.69Å; H283-K286 HydrophobicContact CB-CB 4.45Å; H283-K286 HydrophobicContact CB-CD 4.2Å; H283-K286 HydrophobicContact CB-CG 4.47Å; H283-K286 WeakPolarHBondContact O-CB 3.41Å; H283-K286 PolarHBondContact O-N 3.13Å; C284-K286 VanDerWaalsContact C-N 3.3Å; K286-T288 WeakPolarHBondContact O-CG2 3.1Å; K286-T288 PolarHBondContact O-N 2.78Å
287	T	98.9	Very high	98.5	Very high	30 Å²	30	39.8 Å²	39.8	18%	0.184	23%	0.232	C	C	.	.			trans	-60.6	125.5	165.2	-54.8	0	0	0	0	108.4	V217 G220 A221 I223 L240 A244 V245	V217-T287 HydrophobicContact CG1-CG2 4Å; G220-T287 PolarHBondContact N-OG1 3.35Å; G220-T287 VanDerWaalsContact N-OG1 3.11Å; A221-T287 WeakPolarHBondContact O-CA 3.23Å; I223-T287 HydrophobicContact CD1-CG2 3.91Å; L240-T287 HydrophobicContact CD1-CG2 3.99Å; A244-T287 CarbonylContact C-O 2.81Å; A244-T287 VanDerWaalsContact CA-O 3.31Å; A244-T287 WeakPolarHBondContact CA-O 3.46Å; A244-T287 HydrophobicContact CB-CG2 4.05Å; V245-T287 PolarHBondContact N-O 2.73Å
288	T	98.9	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	140.4	-177.5	56.6	0	0	0	0	110.6	L131 A221 H222 I223 V245 Y247 H283 K286	L131-T288 PolarHBondContact O-OG1 2.87Å; A221-T288 PolarHBondContact O-N 2.86Å; H222-T288 WeakPolarHBondContact CA-O 3.34Å; H222-T288 PolarHBondContact ND1-OG1 3.33Å; I223-T288 VanDerWaalsContact CD1-O 3.25Å; I223-T288 WeakPolarHBondContact CD1-O 3.3Å; I223-T288 PolarHBondContact N-O 2.95Å; V245-T288 HydrophobicContact CB-CG2 4.31Å; V245-T288 WeakPolarHBondContact O-CA 3.46Å; Y247-T288 HydrophobicContact CD2-CG2 4.47Å; Y247-T288 HydrophobicContact CE2-CG2 3.89Å; H283-T288 WeakPolarHBondContact O-CG2 3.26Å; K286-T288 WeakPolarHBondContact O-CG2 3.1Å; K286-T288 PolarHBondContact O-N 2.78Å
289	V	98.9	Very high	98.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125	171.4	170.9	0	0	0	0	107.5	I223 A225 L236 L240 M241 A244 V245 L246 Y247	I223-V289 HydrophobicContact CB-CG2 4.2Å; I223-V289 HydrophobicContact CD1-CG2 4.17Å; I223-V289 CarbonylContact O-C 3.35Å; I223-V289 WeakPolarHBondContact O-CA 3.39Å; A225-V289 HydrophobicContact CB-CG1 4.22Å; L236-V289 HydrophobicContact CD1-CG1 3.86Å; L236-V289 HydrophobicContact CD1-CG2 4.26Å; L240-V289 HydrophobicContact CD1-CG2 4.34Å; L240-V289 HydrophobicContact CG-CG2 4.23Å; M241-V289 HydrophobicContact SD-CG1 4.29Å; A244-V289 HydrophobicContact CB-CB 4.24Å; A244-V289 HydrophobicContact CB-CG2 3.58Å; V245-V289 PolarHBondContact O-N 3.42Å; L246-V289 HydrophobicContact CD1-CB 4.17Å; L246-V289 HydrophobicContact CD1-CG1 3.87Å; Y247-V289 PolarHBondContact N-O 3.04Å
290	F	98.9	Very high	98.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	107.7	163.7	170.7	-119.7	0	0	0	109	V123 A127 L131 I223 A225 Y247 D249 L272	V123-F290 HydrophobicContact CG1-CE1 3.9Å; V123-F290 HydrophobicContact CG1-CZ 3.62Å; A127-F290 HydrophobicContact CB-CB 3.92Å; A127-F290 HydrophobicContact CB-CD1 3.3Å; A127-F290 HydrophobicContact CB-CD2 4.15Å; A127-F290 HydrophobicContact CB-CE1 3.79Å; A127-F290 HydrophobicContact CB-CG 3.51Å; A127-F290 HydrophobicContact CB-CZ 4.41Å; L131-F290 HydrophobicContact CD1-CB 4.34Å; I223-F290 PolarHBondContact O-N 3.04Å; A225-F290 PolarHBondContact N-O 3.5Å; Y247-F290 CarbonylContact O-C 3.48Å; Y247-F290 VanDerWaalsContact O-CA 3.31Å; Y247-F290 WeakPolarHBondContact O-CA 3.47Å; D249-F290 HydrophobicContact CB-CE2 4.23Å; D249-F290 HydrophobicContact CB-CZ 4.23Å; L272-F290 HydrophobicContact CB-CD2 4.5Å; L272-F290 HydrophobicContact CB-CE2 3.95Å; L272-F290 HydrophobicContact CD2-CD2 4.5Å; L272-F290 HydrophobicContact CD2-CE1 4.42Å; L272-F290 HydrophobicContact CD2-CE2 3.84Å; L272-F290 HydrophobicContact CD2-CZ 3.8Å; L272-F290 HydrophobicContact CG-CE2 4.46Å
291	K	98.9	Very high	98.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.8	173	-177.1	72.1	-154.8	-179.8	0	109.7	A225 G227 A228 L246 Y247 V248 D249 S258 D260 V261	A225-K291 HydrophobicContact CB-CD 4.04Å; G227-K291 PolarHBondContact O-NZ 3.19Å; A228-K291 PolarHBondContact O-NZ 3.19Å; L246-K291 HydrophobicContact CD1-CB 4.21Å; Y247-K291 PolarHBondContact O-N 3.02Å; V248-K291 WeakPolarHBondContact CA-O 3.08Å; V248-K291 HydrophobicContact CG1-CB 4.25Å; D249-K291 PolarHBondContact N-O 2.91Å; S258-K291 WeakPolarHBondContact OG-CD 3.26Å; S258-K291 VanDerWaalsContact OG-CE 3.25Å; S258-K291 WeakPolarHBondContact OG-CE 3.34Å; D260-K291 HydrophobicContact CB-CD 4.46Å; D260-K291 IonicContact OD2-NZ 3.39Å; D260-K291 PolarHBondContact OD2-NZ 2.92Å; V261-K291 HydrophobicContact CG2-CG 4.26Å
292	S	98.8	Very high	98.6	Very high	1 Å²	1	23 Å²	23	1%	0.007	12%	0.12	C	C	.	.			trans	-105.1	128	175.4	-174.2	0	0	0	0	110.3	A225	A225-S292 PolarHBondContact O-N 3.39Å
293	L	98.4	Very high	98.6	Very high	11 Å²	11	21.2 Å²	21.2	6%	0.058	11%	0.106	C	C	.	.			trans	-110.4	-24.1	170.9	-70.3	169.1	0	0	0	111.4	R47 D249 A253 A254 E257	R47-L293 PolarHBondContact NH2-O 2.63Å; D249-L293 PolarHBondContact OD2-N 3.49Å; A253-L293 HydrophobicContact CB-CD1 3.81Å; A253-L293 VanDerWaalsContact O-CD1 3.31Å; A253-L293 WeakPolarHBondContact O-CD1 3.02Å; A254-L293 VanDerWaalsContact CA-CD1 3.47Å; A254-L293 HydrophobicContact CB-CD1 4.35Å; E257-L293 HydrophobicContact CB-CD1 3.89Å; E257-L293 HydrophobicContact CB-CD2 4.03Å
294	G	97.8	Very high	98.6	Very high	4 Å²	4	20.4 Å²	20.4	4%	0.041	10%	0.101	C	C	.	.			trans	88.6	130.9	-175.9	0	0	0	0	0	112.4	R47 M62 D249	R47-G294 PolarHBondContact NH2-O 3.32Å; M62-G294 VanDerWaalsContact CE-O 3.29Å; M62-G294 WeakPolarHBondContact CE-O 3.3Å; D249-G294 PolarHBondContact OD2-N 2.89Å
295	M	98.7	Very high	98.6	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.02	11%	0.106	C	C	.	.			trans	-109.5	148.2	-180	-63.1	-167.1	-65.6	0	0	112	L31 F34 D249 V297 E298	L31-M295 HydrophobicContact CD2-CE 3.35Å; F34-M295 HydrophobicContact CD1-CE 4.02Å; F34-M295 HydrophobicContact CD1-SD 3.68Å; F34-M295 HydrophobicContact CD2-SD 4.41Å; F34-M295 HydrophobicContact CE1-CE 4.47Å; F34-M295 HydrophobicContact CE1-SD 3.57Å; F34-M295 VanDerWaalsContact CE1-SD 3.57Å; F34-M295 HydrophobicContact CE2-SD 4.32Å; F34-M295 HydrophobicContact CG-CE 4.35Å; F34-M295 HydrophobicContact CG-SD 4.12Å; F34-M295 HydrophobicContact CZ-SD 3.91Å; D249-M295 HydrophobicContact CB-CE 4.03Å; D249-M295 HydrophobicContact CB-CG 4.19Å; D249-M295 HydrophobicContact CB-SD 4.19Å; M295-V297 HydrophobicContact CB-CG1 4.11Å; M295-V297 HydrophobicContact CE-CG1 4.34Å; M295-V297 PolarHBondContact O-N 3.2Å; M295-E298 HydrophobicContact CB-CG 4.1Å; M295-E298 WeakPolarHBondContact CB-OE1 3.34Å; M295-E298 VanDerWaalsContact N-CD 3.29Å; M295-E298 PolarHBondContact N-OE1 3.22Å; M295-E298 PolarHBondContact N-OE2 2.67Å; M295-E298 WeakPolarHBondContact O-CB 3.29Å; M295-E298 PolarHBondContact O-N 2.74Å; M295-E298 VanDerWaalsContact O-N 3.12Å
296	A	98.8	Very high	98.7	Very high	4 Å²	4	14 Å²	14	3%	0.033	7%	0.069	C	C	.	.	H	α-helix	trans	-61.3	-33	179.3	0	0	0	0	0	112.4	Q44 M62 P63 A64 E298 D299 L300	Q44-A296 HydrophobicContact CG-CB 4.16Å; M62-A296 HydrophobicContact CB-CB 3.84Å; M62-A296 WeakPolarHBondContact O-CB 3.29Å; P63-A296 WeakPolarHBondContact O-CB 3.39Å; A64-A296 HydrophobicContact CB-CB 3.64Å; A296-E298 PolarHBondContact O-N 3.06Å; A296-D299 PolarHBondContact O-N 2.85Å; A296-L300 PolarHBondContact O-N 3.3Å
297	V	98.8	Very high	98.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.2	-28.2	177.2	73.4	0	0	0	0	112.5	A30 V42 M295 L300 V301	A30-V297 HydrophobicContact CB-CG2 3.96Å; V42-V297 HydrophobicContact CG1-CB 4.01Å; V42-V297 HydrophobicContact CG1-CG2 3.78Å; V42-V297 HydrophobicContact CG2-CG2 4.13Å; M295-V297 HydrophobicContact CB-CG1 4.11Å; M295-V297 HydrophobicContact CE-CG1 4.34Å; M295-V297 PolarHBondContact O-N 3.2Å; V297-L300 WeakPolarHBondContact O-CB 3.37Å; V297-L300 PolarHBondContact O-N 2.91Å; V297-V301 WeakPolarHBondContact O-CG2 3.31Å; V297-V301 PolarHBondContact O-N 3.13Å; V297-V301 VanDerWaalsContact O-N 3.13Å
298	E	98.9	Very high	98.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-69.4	-40.5	175.3	-58.3	161.6	-157	0	0	111	L27 R119 V123 M295 A296 A302	L27-E298 HydrophobicContact CD2-CB 3.81Å; L27-E298 HydrophobicContact CD2-CG 4.14Å; R119-E298 HydrophobicContact CB-CB 4.5Å; R119-E298 WeakPolarHBondContact CD-OE2 3.13Å; R119-E298 IonicContact CZ-OE2 3.74Å; R119-E298 IonicContact NE-OE2 2.68Å; R119-E298 IonicContact NH1-OE2 3.71Å; R119-E298 PolarHBondContact NH1-OE2 3.44Å; V123-E298 HydrophobicContact CG2-CG 3.93Å; M295-E298 HydrophobicContact CB-CG 4.1Å; M295-E298 WeakPolarHBondContact CB-OE1 3.34Å; M295-E298 VanDerWaalsContact N-CD 3.29Å; M295-E298 PolarHBondContact N-OE1 3.22Å; M295-E298 PolarHBondContact N-OE2 2.67Å; M295-E298 WeakPolarHBondContact O-CB 3.29Å; M295-E298 PolarHBondContact O-N 2.74Å; M295-E298 VanDerWaalsContact O-N 3.12Å; A296-E298 PolarHBondContact O-N 3.06Å; E298-A302 PolarHBondContact O-N 3.07Å
299	D	98.8	Very high	98.5	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69	-37.1	175.5	-54.1	-63.1	0	0	0	111	K75 I115 R119 A296 A302 A303	K75-D299 HydrophobicContact CB-CB 4.34Å; K75-D299 HydrophobicContact CD-CB 4.35Å; K75-D299 WeakPolarHBondContact CD-OD1 3.32Å; K75-D299 WeakPolarHBondContact CD-OD2 3.42Å; K75-D299 WeakPolarHBondContact CE-OD2 3.38Å; K75-D299 IonicContact NZ-OD1 3.6Å; K75-D299 PolarHBondContact NZ-OD1 2.97Å; K75-D299 IonicContact NZ-OD2 2.76Å; K75-D299 PolarHBondContact NZ-OD2 2.84Å; I115-D299 HydrophobicContact CG2-CB 4.38Å; R119-D299 IonicContact NE-OD1 2.73Å; R119-D299 PolarHBondContact NE-OD1 3.33Å; A296-D299 PolarHBondContact O-N 2.85Å; D299-A302 PolarHBondContact O-N 2.92Å; D299-A303 WeakPolarHBondContact O-CB 3.23Å; D299-A303 PolarHBondContact O-N 2.88Å
300	L	98.9	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57.8	-50.2	176.8	174.9	162.5	0	0	0	111.6	A64 E69 A71 T73 A296 V297 A302 A303 K304	A64-L300 HydrophobicContact CB-CD1 3.9Å; E69-L300 HydrophobicContact CB-CD2 4.38Å; A71-L300 HydrophobicContact CB-CD1 4.25Å; A71-L300 HydrophobicContact CB-CD2 3.61Å; A71-L300 HydrophobicContact CB-CG 3.88Å; A71-L300 WeakPolarHBondContact O-CD1 3.22Å; T73-L300 HydrophobicContact CG2-CB 4.24Å; T73-L300 HydrophobicContact CG2-CG 4.13Å; T73-L300 WeakPolarHBondContact OG1-CA 3.44Å; T73-L300 VanDerWaalsContact OG1-CB 3.29Å; T73-L300 WeakPolarHBondContact OG1-CB 3.39Å; A296-L300 PolarHBondContact O-N 3.3Å; V297-L300 WeakPolarHBondContact O-CB 3.37Å; V297-L300 PolarHBondContact O-N 2.91Å; L300-A302 PolarHBondContact O-N 3.2Å; L300-A303 PolarHBondContact O-N 3.43Å; L300-K304 WeakPolarHBondContact O-CB 3.3Å; L300-K304 PolarHBondContact O-N 3.11Å
301	V	98.6	Very high	98.4	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-48.8	179.3	166	0	0	0	0	110.6	P26 L27 A30 V297 A303 K304 L305	P26-V301 HydrophobicContact CB-CG1 3.62Å; P26-V301 HydrophobicContact CG-CG1 3.89Å; L27-V301 HydrophobicContact CD2-CB 4.28Å; L27-V301 HydrophobicContact CD2-CG1 4.35Å; A30-V301 HydrophobicContact CB-CG2 3.66Å; V297-V301 WeakPolarHBondContact O-CG2 3.31Å; V297-V301 PolarHBondContact O-N 3.13Å; V297-V301 VanDerWaalsContact O-N 3.13Å; V301-A303 PolarHBondContact O-N 2.73Å; V301-K304 PolarHBondContact O-N 3.11Å; V301-L305 HydrophobicContact CG1-CD1 4Å; V301-L305 WeakPolarHBondContact O-CG 3.36Å; V301-L305 PolarHBondContact O-N 2.82Å
302	A	98.7	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-43.5	179.7	0	0	0	0	0	112.1	L17 L23 I115 E298 D299 L300 L305 V306	L17-A302 HydrophobicContact CD2-CB 4.4Å; L23-A302 HydrophobicContact CD1-CB 4.42Å; L23-A302 HydrophobicContact CD2-CB 3.88Å; I115-A302 HydrophobicContact CG1-CB 4.46Å; I115-A302 HydrophobicContact CG2-CB 3.77Å; E298-A302 PolarHBondContact O-N 3.07Å; D299-A302 PolarHBondContact O-N 2.92Å; L300-A302 PolarHBondContact O-N 3.2Å; A302-L305 PolarHBondContact O-N 2.87Å; A302-V306 VanDerWaalsContact O-CG2 3.3Å; A302-V306 WeakPolarHBondContact O-CG2 3.41Å; A302-V306 PolarHBondContact O-N 2.92Å
303	A	98.8	Very high	97	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-41.3	179.3	0	0	0	0	0	112.4	T73 V96 L98 M110 I115 D299 L300 V301 V306 Y307	T73-A303 HydrophobicContact CG2-CB 4.22Å; V96-A303 HydrophobicContact CG1-CB 3.76Å; L98-A303 HydrophobicContact CD1-CB 4.32Å; M110-A303 HydrophobicContact CE-CB 3.99Å; M110-A303 HydrophobicContact SD-CB 3.48Å; M110-A303 WeakPolarHBondContact SD-CB 3.4Å; I115-A303 HydrophobicContact CD1-CB 4.32Å; D299-A303 WeakPolarHBondContact O-CB 3.23Å; D299-A303 PolarHBondContact O-N 2.88Å; L300-A303 PolarHBondContact O-N 3.43Å; V301-A303 PolarHBondContact O-N 2.73Å; A303-V306 PolarHBondContact O-N 2.81Å; A303-Y307 WeakPolarHBondContact O-CB 3.48Å; A303-Y307 PolarHBondContact O-N 3.25Å
304	K	98.5	Very high	95.4	Very high	45 Å²	45	34.4 Å²	34.4	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-46.8	175.8	175.5	164.5	165.4	61.7	0	111.6	E69 A71 L300 V301 V306 Y307 D308	E69-K304 HydrophobicContact CB-CD 4.07Å; E69-K304 WeakPolarHBondContact O-CD 3.5Å; E69-K304 WeakPolarHBondContact O-CE 3.25Å; A71-K304 HydrophobicContact CB-CB 4.43Å; A71-K304 HydrophobicContact CB-CD 3.68Å; L300-K304 WeakPolarHBondContact O-CB 3.3Å; L300-K304 PolarHBondContact O-N 3.11Å; V301-K304 PolarHBondContact O-N 3.11Å; K304-V306 VanDerWaalsContact C-N 3.32Å; K304-V306 PolarHBondContact O-N 3.23Å; K304-Y307 PolarHBondContact O-N 3.03Å; K304-Y307 VanDerWaalsContact O-N 3.16Å; K304-D308 WeakPolarHBondContact CE-OD2 3.31Å; K304-D308 WeakPolarHBondContact CG-OD2 3.48Å; K304-D308 IonicContact NZ-OD1 3.68Å; K304-D308 IonicContact NZ-OD2 3.15Å; K304-D308 PolarHBondContact NZ-OD2 3.32Å; K304-D308 WeakPolarHBondContact O-CB 3.48Å; K304-D308 VanDerWaalsContact O-CG 3.29Å; K304-D308 PolarHBondContact O-N 3.24Å
305	L	98.2	Very high	95.3	Very high	70 Å²	70	36 Å²	36	37%	0.366	21%	0.208	S	C	.	.	H	α-helix	trans	-58.1	-44.1	176.8	-75.1	167.9	0	0	0	112.3	L23 P26 V301 A302 S309	L23-L305 HydrophobicContact CD2-CD1 3.66Å; P26-L305 HydrophobicContact CG-CD1 3.79Å; V301-L305 HydrophobicContact CG1-CD1 4Å; V301-L305 WeakPolarHBondContact O-CG 3.36Å; V301-L305 PolarHBondContact O-N 2.82Å; A302-L305 PolarHBondContact O-N 2.87Å; L305-S309 VanDerWaalsContact O-CB 3.23Å; L305-S309 WeakPolarHBondContact O-CB 3.47Å; L305-S309 PolarHBondContact O-N 3.4Å; L305-S309 VanDerWaalsContact O-N 3.09Å
306	V	98.5	Very high	95.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-49.3	174.8	167.8	0	0	0	0	110.9	L8 V13 H16 L17 M110 A302 A303 K304 S309 W310	L8-V306 HydrophobicContact CD2-CG1 3.76Å; V13-V306 HydrophobicContact CG1-CG2 4.21Å; V13-V306 HydrophobicContact CG2-CG1 4.3Å; H16-V306 HydrophobicContact CB-CG1 4.26Å; L17-V306 HydrophobicContact CB-CG2 3.75Å; L17-V306 HydrophobicContact CD2-CG2 4.08Å; L17-V306 HydrophobicContact CG-CG2 4.37Å; M110-V306 HydrophobicContact SD-CG1 4.48Å; A302-V306 VanDerWaalsContact O-CG2 3.3Å; A302-V306 WeakPolarHBondContact O-CG2 3.41Å; A302-V306 PolarHBondContact O-N 2.92Å; A303-V306 PolarHBondContact O-N 2.81Å; K304-V306 VanDerWaalsContact C-N 3.32Å; K304-V306 PolarHBondContact O-N 3.23Å; V306-S309 PolarHBondContact O-N 3.37Å; V306-W310 VanDerWaalsContact O-CB 3.26Å; V306-W310 WeakPolarHBondContact O-CB 3.35Å; V306-W310 PolarHBondContact O-N 2.87Å
307	Y	98.4	Very high	95	Very high	42 Å²	42	39.5 Å²	39.5	17%	0.165	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-41.5	-176	-177.5	-97.1	0	0	0	112.8	L98 L107 A108 A303 K304 W310 S311	L98-Y307 HydrophobicContact CD1-CG 4.25Å; L98-Y307 HydrophobicContact CD2-CD1 4.19Å; L98-Y307 HydrophobicContact CD2-CE1 4.45Å; L98-Y307 HydrophobicContact CD2-CG 4.23Å; L107-Y307 HydrophobicContact CB-CE2 4.08Å; L107-Y307 HydrophobicContact CD1-CE1 4.13Å; A108-Y307 HydrophobicContact CB-CD2 3.77Å; A108-Y307 HydrophobicContact CB-CE2 3.92Å; A303-Y307 WeakPolarHBondContact O-CB 3.48Å; A303-Y307 PolarHBondContact O-N 3.25Å; K304-Y307 PolarHBondContact O-N 3.03Å; K304-Y307 VanDerWaalsContact O-N 3.16Å; Y307-W310 HydrophobicContact CD2-CE3 4.22Å; Y307-W310 HydrophobicContact CD2-CZ3 4.41Å; Y307-W310 HydrophobicContact CE2-CE3 4.14Å; Y307-W310 AromaticContact CE2-CZ3 3.9Å; Y307-W310 HydrophobicContact CE2-CZ3 3.9Å; Y307-W310 PolarHBondContact O-N 2.94Å; Y307-S311 VanDerWaalsContact O-CB 3.3Å; Y307-S311 WeakPolarHBondContact O-CB 3.42Å; Y307-S311 PolarHBondContact O-N 2.92Å; Y307-S311 PolarHBondContact O-OG 3.18Å
308	D	97.8	Very high	94.7	Very high	60 Å²	60	41.8 Å²	41.8	32%	0.321	24%	0.242	S	C	.	.	H	α-helix	trans	-66.1	-41.6	178.5	-69.6	-10.1	0	0	0	110.6	K304 S311 S312	K304-D308 WeakPolarHBondContact CE-OD2 3.31Å; K304-D308 WeakPolarHBondContact CG-OD2 3.48Å; K304-D308 IonicContact NZ-OD1 3.68Å; K304-D308 IonicContact NZ-OD2 3.15Å; K304-D308 PolarHBondContact NZ-OD2 3.32Å; K304-D308 WeakPolarHBondContact O-CB 3.48Å; K304-D308 VanDerWaalsContact O-CG 3.29Å; K304-D308 PolarHBondContact O-N 3.24Å; D308-S311 PolarHBondContact O-OG 3.48Å; D308-S312 WeakPolarHBondContact O-CB 3.5Å; D308-S312 PolarHBondContact O-N 2.93Å; D308-S312 VanDerWaalsContact O-N 3.13Å; D308-S312 PolarHBondContact O-OG 3.46Å
309	S	97.5	Very high	94.5	Very high	53 Å²	53	44.4 Å²	44.4	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-47.2	173.7	-179.9	0	0	0	0	111.9	H16 L305 V306	H16-S309 PolarHBondContact ND1-OG 3.18Å; L305-S309 VanDerWaalsContact O-CB 3.23Å; L305-S309 WeakPolarHBondContact O-CB 3.47Å; L305-S309 PolarHBondContact O-N 3.4Å; L305-S309 VanDerWaalsContact O-N 3.09Å; V306-S309 PolarHBondContact O-N 3.37Å
310	W	97.9	Very high	94.2	Very high	30 Å²	30	47.3 Å²	47.3	11%	0.114	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-42.3	-179.3	172.4	90.4	0	0	0	113.3	A6 L8 H16 V306 Y307 G313 K314	A6-W310 HydrophobicContact CB-CH2 3.28Å; A6-W310 HydrophobicContact CB-CZ2 3.74Å; A6-W310 HydrophobicContact CB-CZ3 3.99Å; L8-W310 HydrophobicContact CD1-CD2 4.36Å; L8-W310 HydrophobicContact CD1-CZ2 4.17Å; L8-W310 HydrophobicContact CD2-CB 4.06Å; L8-W310 HydrophobicContact CD2-CD2 4.15Å; L8-W310 HydrophobicContact CD2-CG 3.79Å; L8-W310 HydrophobicContact CG-CD2 4.4Å; L8-W310 HydrophobicContact CG-CG 4.36Å; H16-W310 AromaticContact CD2-CD1 3.95Å; H16-W310 VanDerWaalsContact CE1-CA 3.48Å; H16-W310 WeakPolarHBondContact CE1-CA 3.31Å; H16-W310 AromaticContact NE2-CD1 3.63Å; V306-W310 VanDerWaalsContact O-CB 3.26Å; V306-W310 WeakPolarHBondContact O-CB 3.35Å; V306-W310 PolarHBondContact O-N 2.87Å; Y307-W310 HydrophobicContact CD2-CE3 4.22Å; Y307-W310 HydrophobicContact CD2-CZ3 4.41Å; Y307-W310 HydrophobicContact CE2-CE3 4.14Å; Y307-W310 AromaticContact CE2-CZ3 3.9Å; Y307-W310 HydrophobicContact CE2-CZ3 3.9Å; Y307-W310 PolarHBondContact O-N 2.94Å; W310-G313 PolarHBondContact O-N 2.71Å; W310-K314 HydrophobicContact CH2-CD 4.05Å; W310-K314 HydrophobicContact CZ2-CD 4.19Å; W310-K314 HydrophobicContact CZ3-CD 4.26Å
311	S	96.1	Very high	93.8	Very high	43 Å²	43	50.7 Å²	50.7	30%	0.301	29%	0.293	S	S	.	.	H	α-helix	trans	-75.4	-27	-176.9	57.9	0	0	0	0	112.8	Y307 D308 G313 K314	Y307-S311 VanDerWaalsContact O-CB 3.3Å; Y307-S311 WeakPolarHBondContact O-CB 3.42Å; Y307-S311 PolarHBondContact O-N 2.92Å; Y307-S311 PolarHBondContact O-OG 3.18Å; D308-S311 PolarHBondContact O-OG 3.48Å; S311-G313 PolarHBondContact O-N 3.32Å; S311-K314 PolarHBondContact O-N 2.81Å
312	S	92.7	Very high	93.5	Very high	100 Å²	100	54.5 Å²	54.5	70%	0.699	32%	0.315	S	S	*	.	H	α-helix	trans	-68.9	-21.4	173.9	-61.2	0	0	0	0	113.2	D308 K314	D308-S312 WeakPolarHBondContact O-CB 3.5Å; D308-S312 PolarHBondContact O-N 2.93Å; D308-S312 VanDerWaalsContact O-N 3.13Å; D308-S312 PolarHBondContact O-OG 3.46Å; S312-K314 VanDerWaalsContact C-N 3.28Å
313	G	77.1	Confident	93	Very high	69 Å²	69	59 Å²	59	71%	0.711	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	4.4	175.6	0	0	0	0	0	114.8	W310 S311	W310-G313 PolarHBondContact O-N 2.71Å; S311-G313 PolarHBondContact O-N 3.32Å
314	K	65.1	Low	92.5	Very high	196 Å²	196	64.4 Å²	64.4	85%	0.852	37%	0.372	S	S	*	.			trans	-111.7	0	-175.1	-71	-169.3	168.8	-164.8	0	113.8	W310 S311 S312	W310-K314 HydrophobicContact CH2-CD 4.05Å; W310-K314 HydrophobicContact CZ2-CD 4.19Å; W310-K314 HydrophobicContact CZ3-CD 4.26Å; S311-K314 PolarHBondContact O-N 2.81Å; S312-K314 VanDerWaalsContact C-N 3.28Å

Retrieved 314 of 314 residues in 156.8 ms (Link to these results)

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