A0A077Z9X3_TRITR Loading...

Acylphosphatase

AlphaFold DB , UniProt , Accession A0A077Z9X3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 111 aa.

						>A0A077Z9X3_TRITR|A0A077Z9X3
MLFASYHGARQASSMSGHLVSLDFEVFGRVQGVFFRKFTKSKADELSVVGWCRNTHDGTVQGHIEGSRESVHAMKNWLEKTGSPHSKIEKAEFSNESSISSLTFDNFHIKH
					

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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	48.8	Very low	43.2	Very low	229 Å²	229	149.9 Å²	149.9	100%	1.128	79%	0.788	S	S	*	*				0	87.6	0	-120.3	168.4	-177.6	0	0	107.3
2	L	42.8	Very low	43.4	Very low	174 Å²	174	143.5 Å²	143.5	91%	0.911	77%	0.773	S	S	*	*			trans	-111.3	110.3	173.1	-78.3	166.5	0	0	0	106.1	A4	L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 3.01Å
3	F	45.5	Very low	43.8	Very low	192 Å²	192	138.8 Å²	138.8	84%	0.842	76%	0.758	S	S	*	*			trans	-67.2	97.4	168.1	-72.6	-82.9	0	0	0	107.1	S5	F3-S5 PolarHBondContact O-N 3.03Å
4	A	44.5	Very low	44.2	Very low	81 Å²	81	136.3 Å²	136.3	67%	0.669	76%	0.755	S	S	*	*			trans	-67.3	102.7	166.1	0	0	0	0	0	107.2	L2 Y6	L2-A4 VanDerWaalsContact C-N 3.34Å; L2-A4 PolarHBondContact O-N 3.01Å; A4-Y6 PolarHBondContact O-N 2.87Å
5	S	41.4	Very low	44.7	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	75%	0.748	S	S	*	*			trans	-58.9	97.6	170	-60.4	0	0	0	0	108.9	F3 H7	F3-S5 PolarHBondContact O-N 3.03Å; S5-H7 PolarHBondContact O-N 2.93Å
6	Y	39.1	Very low	45.4	Very low	219 Å²	219	134.3 Å²	134.3	86%	0.859	75%	0.749	S	S	*	*			trans	-69.4	85.9	164.6	-93	-92.3	0	0	0	108.1	A4 G8	A4-Y6 PolarHBondContact O-N 2.87Å; Y6-G8 PolarHBondContact O-N 2.89Å
7	H	44.3	Very low	46.8	Very low	174 Å²	174	127.5 Å²	127.5	81%	0.806	72%	0.716	S	S	*	*			trans	-69.4	81.6	148.8	-75	74.5	0	0	0	105.6	S5 A9	S5-H7 PolarHBondContact O-N 2.93Å; H7-A9 VanDerWaalsContact C-N 3.31Å; H7-A9 PolarHBondContact O-N 2.95Å
8	G	38.8	Very low	49.3	Very low	58 Å²	58	128.3 Å²	128.3	60%	0.598	71%	0.713	S	S	*	*			trans	-57.5	104	165.6	0	0	0	0	0	106.4	Y6 R10	Y6-G8 PolarHBondContact O-N 2.89Å; G8-R10 PolarHBondContact O-N 2.96Å
9	A	44.4	Very low	51.9	Low	90 Å²	90	122.9 Å²	122.9	74%	0.744	68%	0.683	S	S	*	*			trans	-47.1	113.9	161.7	0	0	0	0	0	105.6	H7 Q11	H7-A9 VanDerWaalsContact C-N 3.31Å; H7-A9 PolarHBondContact O-N 2.95Å; A9-Q11 VanDerWaalsContact C-N 3.33Å; A9-Q11 PolarHBondContact O-N 2.8Å
10	R	46	Very low	54.2	Low	145 Å²	145	116.9 Å²	116.9	55%	0.547	65%	0.649	S	S	.	*			trans	-49.3	106.2	173.2	-89.7	176.2	167.4	157.8	-5.5	105.4	G8 A12 D44	G8-R10 PolarHBondContact O-N 2.96Å; R10-A12 PolarHBondContact O-N 2.84Å; R10-D44 VanDerWaalsContact NH2-CA 3.3Å; R10-D44 PolarHBondContact NH2-O 2.77Å; R10-D44 IonicContact NH2-OD1 3.77Å
11	Q	40.2	Very low	56.3	Low	189 Å²	189	111.7 Å²	111.7	88%	0.883	62%	0.621	S	S	*	*			trans	-61.4	100.9	162.9	-77.7	-178.8	79.2	0	0	103.2	A9 S13	A9-Q11 VanDerWaalsContact C-N 3.33Å; A9-Q11 PolarHBondContact O-N 2.8Å; Q11-S13 PolarHBondContact O-N 3.01Å
12	A	45.2	Very low	58.7	Low	73 Å²	73	100.8 Å²	100.8	60%	0.603	57%	0.567	S	S	*	*			trans	-55.3	99.3	167	0	0	0	0	0	104.5	R10 S14	R10-A12 PolarHBondContact O-N 2.84Å; A12-S14 PolarHBondContact O-N 2.71Å
13	S	49	Very low	61.4	Low	82 Å²	82	94.7 Å²	94.7	57%	0.573	54%	0.535	S	S	*	.			trans	-46.9	120	169.4	49.5	0	0	0	0	105.2	Q11 M15	Q11-S13 PolarHBondContact O-N 3.01Å; S13-M15 PolarHBondContact O-N 2.93Å
14	S	48.6	Very low	63.9	Low	104 Å²	104	85.8 Å²	85.8	73%	0.727	50%	0.497	S	S	*	.			trans	-27.8	107	-172.9	56.1	0	0	0	0	110.8	A12 S16	A12-S14 PolarHBondContact O-N 2.71Å; S14-S16 PolarHBondContact O-N 2.78Å
15	M	52.8	Low	66.5	Low	131 Å²	131	84.2 Å²	84.2	65%	0.645	48%	0.475	S	S	*	.			trans	-69.3	36	179.9	-66.6	-156.5	-70.6	0	0	112	S13 G17	S13-M15 PolarHBondContact O-N 2.93Å; M15-G17 PolarHBondContact O-N 3.39Å
16	S	56.1	Low	69.3	Low	110 Å²	110	79.6 Å²	79.6	77%	0.769	44%	0.443	S	S	*	.			trans	-71.4	-8.8	170.5	174.1	0	0	0	0	112.1	S14	S14-S16 PolarHBondContact O-N 2.78Å
17	G	68.1	Low	72.1	Confident	18 Å²	18	71 Å²	71	19%	0.186	41%	0.41	C	S	.	.	S	Bend	trans	-80.3	138	175.2	0	0	0	0	0	111.2	M15 L19	M15-G17 PolarHBondContact O-N 3.39Å; G17-L19 PolarHBondContact O-N 3.04Å; G17-L19 VanDerWaalsContact O-N 3.1Å
18	H	92.5	Very high	74.7	Confident	143 Å²	143	63.8 Å²	63.8	66%	0.662	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-51.6	118.6	171.9	-66.7	-78.6	0	0	0	109.9	R68	H18-R68 PolarHBondContact O-N 3.3Å
19	L	98.1	Very high	77.5	Confident	25 Å²	25	68.8 Å²	68.8	13%	0.131	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.6	174.9	-62.6	177	0	0	0	109.5	G17 G66 S98 I99 L102	G17-L19 PolarHBondContact O-N 3.04Å; G17-L19 VanDerWaalsContact O-N 3.1Å; L19-G66 WeakPolarHBondContact CA-O 3.47Å; L19-S98 WeakPolarHBondContact O-CA 3.34Å; L19-I99 HydrophobicContact CB-CD1 4.23Å; L19-I99 HydrophobicContact CB-CG1 3.67Å; L19-I99 PolarHBondContact O-N 2.59Å; L19-L102 HydrophobicContact CD1-CD2 4.32Å; L19-L102 HydrophobicContact CD1-CG 4.37Å; L19-L102 HydrophobicContact CD2-CD2 4.2Å
20	V	98.4	Very high	80.1	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	149.5	177.4	-59.6	0	0	0	0	109.9	E65 G66 R68 V71 S97	V20-E65 WeakPolarHBondContact O-CA 3.41Å; V20-G66 PolarHBondContact N-O 2.99Å; V20-G66 PolarHBondContact O-N 2.84Å; V20-G66 VanDerWaalsContact O-N 3.11Å; V20-R68 HydrophobicContact CG1-CB 4.36Å; V20-V71 HydrophobicContact CG2-CB 3.64Å; V20-V71 HydrophobicContact CG2-CG1 3.8Å; V20-V71 HydrophobicContact CG2-CG2 3.71Å; V20-S97 CarbonylContact C-O 3.48Å; V20-S97 VanDerWaalsContact CA-O 3.22Å; V20-S97 WeakPolarHBondContact CA-O 3.37Å
21	S	98.7	Very high	82.6	Confident	8 Å²	8	60.9 Å²	60.9	6%	0.056	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.2	168.7	67.2	0	0	0	0	110.1	I64 E96 S97 I99	S21-I64 CarbonylContact C-O 3.53Å; S21-I64 VanDerWaalsContact CA-O 3.26Å; S21-I64 WeakPolarHBondContact CA-O 3.42Å; S21-E96 CarbonylContact O-C 3.6Å; S21-E96 VanDerWaalsContact O-CA 3.29Å; S21-E96 WeakPolarHBondContact O-CA 3.34Å; S21-S97 PolarHBondContact N-O 2.71Å; S21-S97 PolarHBondContact O-N 2.94Å; S21-S97 PolarHBondContact OG-OG 2.97Å; S21-I99 WeakPolarHBondContact OG-CG2 3.37Å
22	L	98.8	Very high	85.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	161.1	168.9	63.4	85.5	0	0	0	111.1	F24 H63 I64 V71 K75 F93 E96	L22-F24 HydrophobicContact CD1-CB 4.19Å; L22-H63 WeakPolarHBondContact O-CA 3.48Å; L22-H63 PolarHBondContact O-ND1 3.26Å; L22-I64 HydrophobicContact CD1-CD1 3.76Å; L22-I64 HydrophobicContact CD1-CG1 3.55Å; L22-I64 HydrophobicContact CD2-CD1 4.42Å; L22-I64 HydrophobicContact CD2-CG1 4.48Å; L22-I64 HydrophobicContact CG-CD1 4.08Å; L22-I64 HydrophobicContact CG-CG1 3.68Å; L22-I64 PolarHBondContact N-O 3.33Å; L22-I64 PolarHBondContact O-N 2.93Å; L22-V71 HydrophobicContact CD2-CG1 3.5Å; L22-V71 HydrophobicContact CG-CG1 4.17Å; L22-K75 HydrophobicContact CD2-CD 3.64Å; L22-K75 HydrophobicContact CD2-CG 3.99Å; L22-F93 HydrophobicContact CD1-CB 4.4Å; L22-F93 HydrophobicContact CD1-CD1 3.64Å; L22-F93 HydrophobicContact CD1-CE1 4.46Å; L22-F93 HydrophobicContact CD1-CG 4.47Å; L22-E96 HydrophobicContact CB-CB 4.12Å; L22-E96 HydrophobicContact CB-CG 4.31Å; L22-E96 HydrophobicContact CD2-CG 4.45Å
23	D	98.9	Very high	87.9	Confident	45 Å²	45	52.7 Å²	52.7	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	149.2	166.5	-63.4	-37.4	0	0	0	110.2	G62 H63 F93 S94 N95	D23-G62 CarbonylContact C-O 3.6Å; D23-G62 WeakPolarHBondContact CA-O 3.25Å; D23-H63 IonicContact OD1-CE1 4Å; D23-H63 IonicContact OD1-CG 3.1Å; D23-H63 IonicContact OD1-ND1 2.64Å; D23-H63 PolarHBondContact OD1-ND1 3.44Å; D23-F93 WeakPolarHBondContact O-CA 3.19Å; D23-S94 PolarHBondContact N-O 3.5Å; D23-S94 PolarHBondContact O-N 3.45Å; D23-N95 PolarHBondContact OD2-ND2 3.41Å
24	F	98.9	Very high	90.2	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.7	176.3	74.4	-93.1	0	0	0	112	L22 V26 T39 C52 V60 Q61 G62 I64 L78 E92 F93	L22-F24 HydrophobicContact CD1-CB 4.19Å; F24-V26 HydrophobicContact CD2-CG2 3.82Å; F24-V26 HydrophobicContact CE2-CG2 4.08Å; F24-T39 HydrophobicContact CZ-CG2 4.33Å; F24-C52 HydrophobicContact CZ-CB 3.86Å; F24-V60 HydrophobicContact CE2-CG1 4.46Å; F24-Q61 CarbonylContact O-C 3.56Å; F24-Q61 WeakPolarHBondContact O-CA 3.48Å; F24-Q61 WeakPolarHBondContact O-CB 3.46Å; F24-G62 WeakPolarHBondContact CD1-O 3.49Å; F24-G62 VanDerWaalsContact CE1-C 3.46Å; F24-G62 PolarHBondContact N-O 2.91Å; F24-G62 PolarHBondContact O-N 3.22Å; F24-I64 HydrophobicContact CD1-CG2 3.84Å; F24-I64 HydrophobicContact CE1-CG2 3.61Å; F24-L78 HydrophobicContact CB-CD1 4.39Å; F24-L78 HydrophobicContact CD1-CD1 4.08Å; F24-L78 HydrophobicContact CD2-CD1 3.98Å; F24-L78 HydrophobicContact CD2-CD2 4.31Å; F24-L78 HydrophobicContact CE1-CD1 4.33Å; F24-L78 HydrophobicContact CE2-CD1 4.25Å; F24-L78 HydrophobicContact CE2-CD2 3.99Å; F24-L78 HydrophobicContact CG-CD1 3.88Å; F24-L78 HydrophobicContact CZ-CD1 4.4Å; F24-L78 HydrophobicContact CZ-CD2 4.37Å; F24-E92 CarbonylContact C-O 3.57Å; F24-E92 VanDerWaalsContact CA-O 3.23Å; F24-E92 WeakPolarHBondContact CA-O 3.33Å; F24-F93 HydrophobicContact CB-CD1 3.63Å; F24-F93 HydrophobicContact CB-CE1 3.75Å
25	E	98.9	Very high	92.6	Very high	48 Å²	48	50.9 Å²	50.9	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129.1	166.9	-170.4	170.7	-171.9	0	0	110.5	F27 T59 Q61 A91 E92	E25-F27 HydrophobicContact CB-CE2 3.83Å; E25-F27 HydrophobicContact CB-CZ 4.24Å; E25-F27 VanDerWaalsContact CD-CZ 3.5Å; E25-F27 HydrophobicContact CG-CD2 4.23Å; E25-F27 HydrophobicContact CG-CE1 4.46Å; E25-F27 HydrophobicContact CG-CE2 3.6Å; E25-F27 HydrophobicContact CG-CZ 3.72Å; E25-T59 HydrophobicContact CG-CG2 4.46Å; E25-T59 WeakPolarHBondContact OE1-CB 3.29Å; E25-T59 PolarHBondContact OE1-OG1 3.06Å; E25-Q61 HydrophobicContact CB-CB 4.3Å; E25-Q61 HydrophobicContact CG-CB 4.15Å; E25-A91 CarbonylContact O-C 3.52Å; E25-A91 WeakPolarHBondContact O-CA 3.4Å; E25-E92 PolarHBondContact N-O 3.44Å; E25-E92 PolarHBondContact O-N 2.95Å
26	V	98.9	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.8	-179.2	-166.8	0	0	0	0	109.9	F24 V30 F35 T59 V60 L78 I88 A91	F24-V26 HydrophobicContact CD2-CG2 3.82Å; F24-V26 HydrophobicContact CE2-CG2 4.08Å; V26-V30 HydrophobicContact CG1-CG1 3.93Å; V26-F35 HydrophobicContact CB-CE1 4.31Å; V26-F35 HydrophobicContact CB-CZ 4.29Å; V26-F35 HydrophobicContact CG1-CE1 4.39Å; V26-F35 HydrophobicContact CG1-CZ 3.88Å; V26-F35 HydrophobicContact CG2-CE1 4.16Å; V26-F35 HydrophobicContact CG2-CZ 4.27Å; V26-T59 WeakPolarHBondContact O-CA 3.5Å; V26-T59 VanDerWaalsContact O-CB 3.26Å; V26-T59 WeakPolarHBondContact O-CB 3.39Å; V26-V60 PolarHBondContact N-O 3.19Å; V26-V60 PolarHBondContact O-N 2.87Å; V26-L78 HydrophobicContact CG2-CB 4.26Å; V26-L78 HydrophobicContact CG2-CD2 3.96Å; V26-I88 HydrophobicContact CG1-CB 4.41Å; V26-I88 HydrophobicContact CG1-CG1 3.9Å; V26-I88 HydrophobicContact CG1-CG2 3.81Å; V26-A91 HydrophobicContact CG1-CB 4.48Å; V26-A91 HydrophobicContact CG2-CB 4.29Å
27	F	98.7	Very high	96.8	Very high	38 Å²	38	48.1 Å²	48.1	17%	0.167	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	158.2	-174	-57.7	-109.9	0	0	0	111.1	E25 T59 E89 K90 E92	E25-F27 HydrophobicContact CB-CE2 3.83Å; E25-F27 HydrophobicContact CB-CZ 4.24Å; E25-F27 VanDerWaalsContact CD-CZ 3.5Å; E25-F27 HydrophobicContact CG-CD2 4.23Å; E25-F27 HydrophobicContact CG-CE1 4.46Å; E25-F27 HydrophobicContact CG-CE2 3.6Å; E25-F27 HydrophobicContact CG-CZ 3.72Å; F27-T59 HydrophobicContact CB-CG2 4.38Å; F27-T59 HydrophobicContact CD1-CG2 3.34Å; F27-T59 HydrophobicContact CE1-CG2 3.68Å; F27-T59 HydrophobicContact CG-CG2 3.86Å; F27-T59 HydrophobicContact CZ-CG2 4.47Å; F27-E89 PolarHBondContact O-N 2.97Å; F27-K90 HydrophobicContact CB-CD 4.44Å; F27-K90 HydrophobicContact CB-CG 3.59Å; F27-K90 HydrophobicContact CD2-CD 3.9Å; F27-K90 HydrophobicContact CD2-CG 3.52Å; F27-K90 VanDerWaalsContact CE1-CE 3.48Å; F27-K90 HydrophobicContact CE2-CD 4.22Å; F27-K90 VanDerWaalsContact CE2-CE 3.49Å; F27-K90 HydrophobicContact CE2-CG 4.3Å; F27-K90 HydrophobicContact CG-CD 4.07Å; F27-K90 HydrophobicContact CG-CG 3.65Å; F27-K90 PolarHBondContact N-O 3.05Å; F27-E92 HydrophobicContact CE2-CB 4.32Å; F27-E92 HydrophobicContact CE2-CG 4.04Å
28	G	98.4	Very high	98.2	Very high	24 Å²	24	51.2 Å²	51.2	25%	0.247	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110	-151	-178.7	0	0	0	0	0	112.4	V30 K87	G28-V30 VanDerWaalsContact C-N 3.33Å; G28-V30 PolarHBondContact O-N 3.24Å; G28-K87 CarbonylContact C-O 3.48Å; G28-K87 WeakPolarHBondContact CA-O 3.33Å
29	R	98.5	Very high	98.5	Very high	163 Å²	163	44.4 Å²	44.4	62%	0.615	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	83.2	175.8	-172.7	-174.6	-178.1	-177.2	0.9	109.5	V33 S86 K87	R29-V33 HydrophobicContact CG-CG1 4.22Å; R29-S86 CarbonylContact O-C 3.59Å; R29-S86 WeakPolarHBondContact O-CA 3.2Å; R29-S86 WeakPolarHBondContact O-CB 3.23Å; R29-K87 HydrophobicContact CB-CB 4.05Å; R29-K87 PolarHBondContact N-O 2.99Å; R29-K87 PolarHBondContact O-N 3.42Å
30	V	98.6	Very high	98.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.232	C	C	.	.			trans	-122.6	-8.3	-177.4	-64.7	0	0	0	0	114.1	V26 G28 F35 V60	V26-V30 HydrophobicContact CG1-CG1 3.93Å; G28-V30 VanDerWaalsContact C-N 3.33Å; G28-V30 PolarHBondContact O-N 3.24Å; V30-F35 HydrophobicContact CB-CB 4.41Å; V30-F35 HydrophobicContact CB-CD2 4.06Å; V30-F35 HydrophobicContact CB-CE2 4.44Å; V30-F35 HydrophobicContact CB-CG 4.08Å; V30-F35 HydrophobicContact CG1-CD2 3.89Å; V30-F35 HydrophobicContact CG1-CE2 3.83Å; V30-F35 HydrophobicContact CG1-CG 4.35Å; V30-F35 HydrophobicContact CG1-CZ 4.26Å; V30-F35 WeakPolarHBondContact O-CB 3.34Å; V30-V60 HydrophobicContact CB-CG2 4.06Å; V30-V60 HydrophobicContact CG2-CB 4.34Å; V30-V60 HydrophobicContact CG2-CG2 3.88Å
31	Q	98.3	Very high	98.6	Very high	66 Å²	66	49.1 Å²	49.1	31%	0.308	25%	0.252	S	S	.	.	S	Bend	trans	-101.3	152.9	171.4	-60.9	-168.8	9.3	0	0	111.7	V33 T55 G58 T59	Q31-V33 PolarHBondContact O-N 3.09Å; Q31-T55 PolarHBondContact NE2-O 2.91Å; Q31-G58 WeakPolarHBondContact CG-O 3.24Å; Q31-G58 VanDerWaalsContact NE2-CA 3.32Å; Q31-T59 PolarHBondContact NE2-O 3.46Å
32	G	98	Very high	98.6	Very high	82 Å²	82	50.7 Å²	50.7	85%	0.845	26%	0.258	S	S	*	.	S	Bend	trans	70.1	6.7	-177.2	0	0	0	0	0	115.3
33	V	98.1	Very high	98.6	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	26%	0.258	C	S	.	.	S	Bend	trans	-122.6	21.9	-175	-62.7	0	0	0	0	112.9	R29 Q31 F35 S83 H85	R29-V33 HydrophobicContact CG-CG1 4.22Å; Q31-V33 PolarHBondContact O-N 3.09Å; V33-F35 HydrophobicContact CG2-CB 4.25Å; V33-F35 PolarHBondContact O-N 2.87Å; V33-F35 VanDerWaalsContact O-N 3.12Å; V33-S83 WeakPolarHBondContact O-CB 3.48Å; V33-S83 PolarHBondContact O-OG 3.47Å; V33-S83 VanDerWaalsContact O-OG 3.14Å; V33-H85 HydrophobicContact CB-CB 4.23Å; V33-H85 HydrophobicContact CG1-CB 4.16Å
34	F	97.8	Very high	98.6	Very high	146 Å²	146	50.7 Å²	50.7	64%	0.64	26%	0.258	S	S	*	.			trans	58.4	18.8	-177.6	-58.9	-84.6	0	0	0	115.3	R36 K37 F38	F34-R36 VanDerWaalsContact C-N 3.34Å; F34-R36 PolarHBondContact O-N 3.28Å; F34-K37 HydrophobicContact CB-CB 4.4Å; F34-K37 WeakPolarHBondContact O-CB 3.33Å; F34-K37 PolarHBondContact O-N 2.99Å; F34-F38 HydrophobicContact CB-CD2 4.12Å; F34-F38 HydrophobicContact CB-CE2 4.23Å; F34-F38 PolarHBondContact O-N 3.33Å; F34-F38 VanDerWaalsContact O-N 3.13Å
35	F	98.5	Very high	98.5	Very high	3 Å²	3	56.4 Å²	56.4	1%	0.013	28%	0.284	C	S	.	.	H	α-helix	trans	-48.9	-51.9	-176.8	-161.5	-88.4	0	0	0	112.5	V26 V30 V33 K37 F38 T39 V60 W77 L78 S86 I88	V26-F35 HydrophobicContact CB-CE1 4.31Å; V26-F35 HydrophobicContact CB-CZ 4.29Å; V26-F35 HydrophobicContact CG1-CE1 4.39Å; V26-F35 HydrophobicContact CG1-CZ 3.88Å; V26-F35 HydrophobicContact CG2-CE1 4.16Å; V26-F35 HydrophobicContact CG2-CZ 4.27Å; V30-F35 HydrophobicContact CB-CB 4.41Å; V30-F35 HydrophobicContact CB-CD2 4.06Å; V30-F35 HydrophobicContact CB-CE2 4.44Å; V30-F35 HydrophobicContact CB-CG 4.08Å; V30-F35 HydrophobicContact CG1-CD2 3.89Å; V30-F35 HydrophobicContact CG1-CE2 3.83Å; V30-F35 HydrophobicContact CG1-CG 4.35Å; V30-F35 HydrophobicContact CG1-CZ 4.26Å; V30-F35 WeakPolarHBondContact O-CB 3.34Å; V33-F35 HydrophobicContact CG2-CB 4.25Å; V33-F35 PolarHBondContact O-N 2.87Å; V33-F35 VanDerWaalsContact O-N 3.12Å; F35-K37 VanDerWaalsContact C-N 3.28Å; F35-K37 PolarHBondContact O-N 3.27Å; F35-F38 CarbonylContact O-C 3.56Å; F35-F38 PolarHBondContact O-N 2.87Å; F35-T39 WeakPolarHBondContact CD1-OG1 3.43Å; F35-T39 PolarHBondContact O-N 3.2Å; F35-T39 PolarHBondContact O-OG1 3.47Å; F35-V60 HydrophobicContact CD1-CB 4.2Å; F35-V60 HydrophobicContact CD1-CG1 4.12Å; F35-V60 HydrophobicContact CD1-CG2 4.17Å; F35-W77 HydrophobicContact CZ-CZ3 4.42Å; F35-L78 HydrophobicContact CE1-CD2 4.08Å; F35-L78 HydrophobicContact CZ-CD2 4.39Å; F35-S86 WeakPolarHBondContact CD2-OG 3.41Å; F35-I88 HydrophobicContact CE2-CD1 4.1Å; F35-I88 HydrophobicContact CE2-CG1 4Å; F35-I88 HydrophobicContact CZ-CD1 4.27Å; F35-I88 HydrophobicContact CZ-CG1 4.33Å
36	R	98.6	Very high	98.5	Very high	50 Å²	50	55.8 Å²	55.8	19%	0.189	28%	0.283	C	S	.	.	H	α-helix	trans	-55.4	-36.6	177.6	-66.6	-171.3	-76.9	145.2	-0.5	114.1	F34 K40 N54 V60 I109 K110	F34-R36 VanDerWaalsContact C-N 3.34Å; F34-R36 PolarHBondContact O-N 3.28Å; R36-K40 PolarHBondContact O-N 2.88Å; R36-N54 VanDerWaalsContact CD-OD1 3.31Å; R36-N54 WeakPolarHBondContact CD-OD1 3.34Å; R36-N54 PolarHBondContact NE-OD1 2.87Å; R36-V60 HydrophobicContact CG-CG1 4Å; R36-V60 HydrophobicContact CG-CG2 4.33Å; R36-I109 HydrophobicContact CB-CD1 4.41Å; R36-I109 HydrophobicContact CB-CG1 4.41Å; R36-I109 HydrophobicContact CB-CG2 4.02Å; R36-I109 WeakPolarHBondContact O-CD1 3.45Å; R36-K110 PolarHBondContact NH1-O 2.67Å
37	K	98.5	Very high	98.5	Very high	132 Å²	132	58.5 Å²	58.5	57%	0.574	30%	0.302	S	S	*	.	H	α-helix	trans	-69.8	-41.7	177.5	-174.7	178.1	178.7	-180	0	111.5	F34 F35 S41	F34-K37 HydrophobicContact CB-CB 4.4Å; F34-K37 WeakPolarHBondContact O-CB 3.33Å; F34-K37 PolarHBondContact O-N 2.99Å; F35-K37 VanDerWaalsContact C-N 3.28Å; F35-K37 PolarHBondContact O-N 3.27Å; K37-S41 PolarHBondContact O-N 3.1Å; K37-S41 PolarHBondContact O-OG 2.92Å
38	F	98.7	Very high	98.5	Very high	84 Å²	84	56.9 Å²	56.9	37%	0.368	30%	0.295	S	S	.	.	H	α-helix	trans	-68.5	-40.1	174.6	-82.5	-92.1	0	0	0	111.8	F34 F35 K40 S41 K42 W77 P84	F34-F38 HydrophobicContact CB-CD2 4.12Å; F34-F38 HydrophobicContact CB-CE2 4.23Å; F34-F38 PolarHBondContact O-N 3.33Å; F34-F38 VanDerWaalsContact O-N 3.13Å; F35-F38 CarbonylContact O-C 3.56Å; F35-F38 PolarHBondContact O-N 2.87Å; F38-K40 PolarHBondContact O-N 2.96Å; F38-S41 PolarHBondContact O-N 3.22Å; F38-K42 WeakPolarHBondContact O-CB 3.49Å; F38-K42 PolarHBondContact O-N 3.11Å; F38-W77 HydrophobicContact CB-CH2 3.86Å; F38-W77 HydrophobicContact CB-CZ2 4.03Å; F38-P84 VanDerWaalsContact CE1-CD 3.45Å; F38-P84 HydrophobicContact CE1-CG 3.84Å; F38-P84 HydrophobicContact CE2-CG 4.42Å; F38-P84 HydrophobicContact CZ-CG 3.71Å
39	T	98.8	Very high	98.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.9	-49.7	172.6	-54.6	0	0	0	0	110.9	F24 F35 S41 K42 A43 C52 M74 L78 F107	F24-T39 HydrophobicContact CZ-CG2 4.33Å; F35-T39 WeakPolarHBondContact CD1-OG1 3.43Å; F35-T39 PolarHBondContact O-N 3.2Å; F35-T39 PolarHBondContact O-OG1 3.47Å; T39-S41 PolarHBondContact O-N 2.93Å; T39-K42 PolarHBondContact O-N 3.04Å; T39-A43 WeakPolarHBondContact O-CB 3.34Å; T39-A43 PolarHBondContact O-N 2.86Å; T39-C52 HydrophobicContact CG2-CB 4.41Å; T39-M74 HydrophobicContact CG2-CE 3.48Å; T39-M74 VanDerWaalsContact CG2-CE 3.48Å; T39-L78 HydrophobicContact CG2-CD2 4.2Å; T39-F107 HydrophobicContact CG2-CE1 4.02Å; T39-F107 HydrophobicContact CG2-CE2 4.49Å; T39-F107 HydrophobicContact CG2-CZ 3.67Å
40	K	98.8	Very high	98.5	Very high	63 Å²	63	48.6 Å²	48.6	27%	0.274	26%	0.257	S	S	.	.	H	α-helix	trans	-58.8	-47.1	175.8	-171.8	-163.3	-178.1	-45.9	0	111.6	R36 F38 K42 A43 D44 F107 I109	R36-K40 PolarHBondContact O-N 2.88Å; F38-K40 PolarHBondContact O-N 2.96Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3Å; K40-A43 PolarHBondContact O-N 3.1Å; K40-D44 VanDerWaalsContact NZ-CG 3.27Å; K40-D44 IonicContact NZ-OD1 3.26Å; K40-D44 PolarHBondContact NZ-OD1 2.64Å; K40-D44 VanDerWaalsContact NZ-OD1 3.1Å; K40-D44 IonicContact NZ-OD2 2.7Å; K40-D44 PolarHBondContact NZ-OD2 2.74Å; K40-D44 VanDerWaalsContact O-CG 3.26Å; K40-D44 PolarHBondContact O-N 2.89Å; K40-F107 HydrophobicContact CB-CD1 3.92Å; K40-F107 HydrophobicContact CB-CE1 4.48Å; K40-F107 VanDerWaalsContact CE-O 3.24Å; K40-F107 WeakPolarHBondContact CE-O 3.22Å; K40-F107 HydrophobicContact CG-CB 4.2Å; K40-F107 HydrophobicContact CG-CD1 3.94Å; K40-F107 HydrophobicContact CG-CG 4.47Å; K40-I109 HydrophobicContact CB-CD1 4Å; K40-I109 HydrophobicContact CB-CG1 4.04Å; K40-I109 HydrophobicContact CD-CD1 4.22Å; K40-I109 HydrophobicContact CD-CG1 4.34Å
41	S	98.7	Very high	98.5	Very high	63 Å²	63	50.6 Å²	50.6	44%	0.441	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-40.6	-178.6	-53.7	0	0	0	0	111.8	K37 F38 T39 D44 E45	K37-S41 PolarHBondContact O-N 3.1Å; K37-S41 PolarHBondContact O-OG 2.92Å; F38-S41 PolarHBondContact O-N 3.22Å; T39-S41 PolarHBondContact O-N 2.93Å; S41-D44 PolarHBondContact O-N 2.76Å; S41-E45 PolarHBondContact O-N 2.7Å; S41-E45 VanDerWaalsContact O-N 3.09Å
42	K	98.8	Very high	98.5	Very high	42 Å²	42	47.5 Å²	47.5	18%	0.183	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-40.2	175.7	-177.8	57.2	61.9	-174.3	0	112	F38 T39 K40 D44 E45 L46 M74 W77	F38-K42 WeakPolarHBondContact O-CB 3.49Å; F38-K42 PolarHBondContact O-N 3.11Å; T39-K42 PolarHBondContact O-N 3.04Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3Å; K42-D44 VanDerWaalsContact C-N 3.31Å; K42-D44 PolarHBondContact O-N 2.8Å; K42-E45 WeakPolarHBondContact CE-OE2 3.36Å; K42-E45 IonicContact NZ-OE1 2.78Å; K42-E45 PolarHBondContact NZ-OE1 3.4Å; K42-E45 IonicContact NZ-OE2 2.76Å; K42-E45 PolarHBondContact NZ-OE2 2.95Å; K42-E45 WeakPolarHBondContact O-CB 3.34Å; K42-E45 PolarHBondContact O-N 2.76Å; K42-L46 HydrophobicContact CD-CD1 3.8Å; K42-L46 HydrophobicContact CD-CG 3.91Å; K42-L46 HydrophobicContact CG-CD1 3.9Å; K42-L46 HydrophobicContact CG-CG 4.36Å; K42-L46 WeakPolarHBondContact O-CB 3.47Å; K42-L46 WeakPolarHBondContact O-CG 3.1Å; K42-L46 PolarHBondContact O-N 2.86Å; K42-M74 HydrophobicContact CB-SD 4.4Å; K42-M74 HydrophobicContact CG-SD 3.9Å; K42-W77 HydrophobicContact CB-CD2 4.12Å; K42-W77 HydrophobicContact CB-CE3 4.4Å; K42-W77 HydrophobicContact CB-CZ2 4.28Å; K42-W77 HydrophobicContact CD-CG 4.21Å; K42-W77 VanDerWaalsContact CE-CD1 3.48Å; K42-W77 HydrophobicContact CG-CB 4.27Å; K42-W77 HydrophobicContact CG-CD2 3.75Å; K42-W77 HydrophobicContact CG-CE3 4.28Å; K42-W77 HydrophobicContact CG-CG 3.73Å
43	A	98.8	Very high	98.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-42.1	175	0	0	0	0	0	111.3	T39 K40 E45 L46 S47 V48 M74 F107	T39-A43 WeakPolarHBondContact O-CB 3.34Å; T39-A43 PolarHBondContact O-N 2.86Å; K40-A43 PolarHBondContact O-N 3.1Å; A43-E45 VanDerWaalsContact C-N 3.33Å; A43-E45 PolarHBondContact O-N 2.85Å; A43-L46 CarbonylContact O-C 3.56Å; A43-L46 PolarHBondContact O-N 2.9Å; A43-S47 PolarHBondContact O-N 2.92Å; A43-V48 CarbonylContact C-O 3.49Å; A43-V48 HydrophobicContact CB-CB 4.2Å; A43-V48 HydrophobicContact CB-CG1 4.37Å; A43-V48 WeakPolarHBondContact CB-O 3.38Å; A43-V48 PolarHBondContact O-N 2.92Å; A43-M74 HydrophobicContact CB-CE 4.09Å; A43-F107 HydrophobicContact CB-CB 3.84Å; A43-F107 HydrophobicContact CB-CD1 4.34Å; A43-F107 HydrophobicContact CB-CD2 3.26Å; A43-F107 HydrophobicContact CB-CE2 3.81Å; A43-F107 HydrophobicContact CB-CG 3.55Å
44	D	98.6	Very high	98.6	Very high	45 Å²	45	49 Å²	49	24%	0.241	23%	0.232	C	C	.	.	H	α-helix	trans	-61.7	-39	174.9	-69.6	-30.4	0	0	0	112.5	R10 K40 S41 K42	R10-D44 VanDerWaalsContact NH2-CA 3.3Å; R10-D44 PolarHBondContact NH2-O 2.77Å; R10-D44 IonicContact NH2-OD1 3.77Å; K40-D44 VanDerWaalsContact NZ-CG 3.27Å; K40-D44 IonicContact NZ-OD1 3.26Å; K40-D44 PolarHBondContact NZ-OD1 2.64Å; K40-D44 VanDerWaalsContact NZ-OD1 3.1Å; K40-D44 IonicContact NZ-OD2 2.7Å; K40-D44 PolarHBondContact NZ-OD2 2.74Å; K40-D44 VanDerWaalsContact O-CG 3.26Å; K40-D44 PolarHBondContact O-N 2.89Å; S41-D44 PolarHBondContact O-N 2.76Å; K42-D44 VanDerWaalsContact C-N 3.31Å; K42-D44 PolarHBondContact O-N 2.8Å
45	E	98.4	Very high	98.6	Very high	125 Å²	125	43 Å²	43	58%	0.584	21%	0.207	S	C	*	.	H	α-helix	trans	-66.5	-41.8	175.9	-178.9	-169.2	136.4	0	0	111.9	S41 K42 A43 S47	S41-E45 PolarHBondContact O-N 2.7Å; S41-E45 VanDerWaalsContact O-N 3.09Å; K42-E45 WeakPolarHBondContact CE-OE2 3.36Å; K42-E45 IonicContact NZ-OE1 2.78Å; K42-E45 PolarHBondContact NZ-OE1 3.4Å; K42-E45 IonicContact NZ-OE2 2.76Å; K42-E45 PolarHBondContact NZ-OE2 2.95Å; K42-E45 WeakPolarHBondContact O-CB 3.34Å; K42-E45 PolarHBondContact O-N 2.76Å; A43-E45 VanDerWaalsContact C-N 3.33Å; A43-E45 PolarHBondContact O-N 2.85Å; E45-S47 VanDerWaalsContact C-N 3.32Å; E45-S47 PolarHBondContact O-N 3.35Å
46	L	98.3	Very high	98.6	Very high	36 Å²	36	51.6 Å²	51.6	19%	0.188	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	2	-178.3	-63.8	177.5	0	0	0	113.7	K42 A43 V48 S70 A73 M74	K42-L46 HydrophobicContact CD-CD1 3.8Å; K42-L46 HydrophobicContact CD-CG 3.91Å; K42-L46 HydrophobicContact CG-CD1 3.9Å; K42-L46 HydrophobicContact CG-CG 4.36Å; K42-L46 WeakPolarHBondContact O-CB 3.47Å; K42-L46 WeakPolarHBondContact O-CG 3.1Å; K42-L46 PolarHBondContact O-N 2.86Å; A43-L46 CarbonylContact O-C 3.56Å; A43-L46 PolarHBondContact O-N 2.9Å; L46-V48 HydrophobicContact CB-CG2 4.03Å; L46-V48 PolarHBondContact O-N 2.93Å; L46-S70 VanDerWaalsContact O-CB 3.29Å; L46-S70 WeakPolarHBondContact O-CB 3.35Å; L46-S70 PolarHBondContact O-OG 3.35Å; L46-A73 HydrophobicContact CD1-CB 3.93Å; L46-A73 HydrophobicContact CD2-CB 4.02Å; L46-M74 HydrophobicContact CD1-CB 4.01Å; L46-M74 HydrophobicContact CD1-SD 4.17Å
47	S	97.8	Very high	98.6	Very high	57 Å²	57	56.1 Å²	56.1	40%	0.399	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	36.9	-171.6	-55.2	0	0	0	0	113.3	A43 E45	A43-S47 PolarHBondContact O-N 2.92Å; E45-S47 VanDerWaalsContact C-N 3.32Å; E45-S47 PolarHBondContact O-N 3.35Å
48	V	98.8	Very high	98.5	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.018	26%	0.263	C	S	.	.			trans	-95	133.6	172.4	168.8	0	0	0	0	108.9	A43 L46 I64 E65 V71 M74	A43-V48 CarbonylContact C-O 3.49Å; A43-V48 HydrophobicContact CB-CB 4.2Å; A43-V48 HydrophobicContact CB-CG1 4.37Å; A43-V48 WeakPolarHBondContact CB-O 3.38Å; A43-V48 PolarHBondContact O-N 2.92Å; L46-V48 HydrophobicContact CB-CG2 4.03Å; L46-V48 PolarHBondContact O-N 2.93Å; V48-I64 HydrophobicContact CG1-CB 3.65Å; V48-I64 HydrophobicContact CG1-CG2 3.95Å; V48-E65 WeakPolarHBondContact CA-O 3.48Å; V48-V71 HydrophobicContact CG2-CG2 4.48Å; V48-M74 HydrophobicContact CG1-CG 4.37Å; V48-M74 HydrophobicContact CG2-CB 4.25Å
49	V	98.8	Very high	98.5	Very high	13 Å²	13	47.6 Å²	47.6	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	170.2	179.1	-58.9	0	0	0	0	110.4	I64 E65 L102 F104	V49-I64 WeakPolarHBondContact O-CA 3.26Å; V49-E65 HydrophobicContact CG2-CB 3.82Å; V49-E65 PolarHBondContact N-O 3.02Å; V49-E65 PolarHBondContact O-N 2.92Å; V49-L102 HydrophobicContact CG1-CD1 4.47Å; V49-L102 HydrophobicContact CG2-CB 4.23Å; V49-L102 HydrophobicContact CG2-CD1 4.11Å; V49-L102 HydrophobicContact CG2-CD2 3.94Å; V49-L102 HydrophobicContact CG2-CG 4.31Å; V49-F104 HydrophobicContact CB-CB 3.96Å; V49-F104 HydrophobicContact CG2-CB 3.95Å; V49-F104 WeakPolarHBondContact CG2-O 3.33Å
50	G	98.8	Very high	98.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.1	-140.4	180	0	0	0	0	0	112.9	H63 N106 F107 H108	G50-H63 CarbonylContact C-O 3.55Å; G50-H63 WeakPolarHBondContact CA-O 3.43Å; G50-N106 PolarHBondContact N-O 2.83Å; G50-F107 CarbonylContact O-C 3.58Å; G50-F107 WeakPolarHBondContact O-CA 3.26Å; G50-H108 PolarHBondContact O-N 3.49Å
51	W	98.9	Very high	98.5	Very high	45 Å²	45	47.3 Å²	47.3	17%	0.17	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161.6	-179	57	-89.2	0	0	0	113.9	R53 Q61 G62 H63 F104 H108 K110	W51-R53 HydrophobicContact CE3-CG 4.29Å; W51-R53 HydrophobicContact CZ3-CG 3.82Å; W51-Q61 HydrophobicContact CZ3-CG 4.32Å; W51-G62 CarbonylContact O-C 3.57Å; W51-G62 WeakPolarHBondContact O-CA 3.48Å; W51-H63 HydrophobicContact CD2-CB 4.26Å; W51-H63 HydrophobicContact CG-CB 4.45Å; W51-H63 HydrophobicContact CZ2-CB 3.87Å; W51-H63 PolarHBondContact N-O 2.99Å; W51-H63 VanDerWaalsContact NE1-CB 3.34Å; W51-H63 PolarHBondContact O-N 3.37Å; W51-F104 AromaticContact CD1-CE1 3.65Å; W51-F104 AromaticContact CD1-CZ 3.52Å; W51-F104 AromaticContact NE1-CZ 3.78Å; W51-H108 CarbonylContact C-O 3.55Å; W51-H108 WeakPolarHBondContact CA-O 3.45Å; W51-H108 HydrophobicContact CB-CB 4.29Å; W51-H108 WeakPolarHBondContact CB-O 3.41Å; W51-K110 HydrophobicContact CB-CD 3.91Å; W51-K110 HydrophobicContact CB-CG 4.15Å; W51-K110 HydrophobicContact CD2-CD 3.77Å; W51-K110 HydrophobicContact CE3-CD 3.88Å; W51-K110 HydrophobicContact CG-CD 3.78Å; W51-K110 VanDerWaalsContact CG-CE 3.44Å; W51-K110 VanDerWaalsContact CG-NZ 3.3Å
52	C	98.9	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.2	165.1	73.1	0	0	0	0	112.3	F24 T39 V60 Q61 F107 H108 K110	F24-C52 HydrophobicContact CZ-CB 3.86Å; T39-C52 HydrophobicContact CG2-CB 4.41Å; C52-V60 HydrophobicContact CB-CG1 4.23Å; C52-Q61 CarbonylContact C-O 3.58Å; C52-Q61 WeakPolarHBondContact CA-O 3.49Å; C52-F107 HydrophobicContact CB-CE1 3.94Å; C52-F107 HydrophobicContact CB-CZ 3.92Å; C52-H108 PolarHBondContact N-O 3.27Å; C52-K110 PolarHBondContact O-N 2.91Å
53	R	98.8	Very high	98.6	Very high	87 Å²	87	43.8 Å²	43.8	33%	0.328	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	162.2	175.4	59.4	-179.7	-91.5	-173.6	-3.7	111.3	W51 V60 Q61 K110	W51-R53 HydrophobicContact CE3-CG 4.29Å; W51-R53 HydrophobicContact CZ3-CG 3.82Å; R53-V60 WeakPolarHBondContact O-CA 3.45Å; R53-Q61 HydrophobicContact CG-CG 3.79Å; R53-Q61 PolarHBondContact N-O 2.93Å; R53-Q61 PolarHBondContact O-N 3.15Å; R53-K110 HydrophobicContact CB-CB 4Å
54	N	98.5	Very high	98.6	Very high	36 Å²	36	43.8 Å²	43.8	19%	0.193	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	152.8	165.4	-74.5	9.8	0	0	0	109.8	R36	R36-N54 VanDerWaalsContact CD-OD1 3.31Å; R36-N54 WeakPolarHBondContact CD-OD1 3.34Å; R36-N54 PolarHBondContact NE-OD1 2.87Å
55	T	98.5	Very high	98.6	Very high	18 Å²	18	41.9 Å²	41.9	11%	0.11	21%	0.214	C	C	.	.			trans	-105.4	168.2	166.9	70.3	0	0	0	0	110.2	Q31 D57 T59 Q61	Q31-T55 PolarHBondContact NE2-O 2.91Å; T55-D57 VanDerWaalsContact C-N 3.26Å; T55-D57 PolarHBondContact OG1-N 2.81Å; T55-T59 WeakPolarHBondContact CB-OG1 3.39Å; T55-T59 WeakPolarHBondContact CG2-OG1 3.48Å; T55-T59 PolarHBondContact N-O 3.01Å; T55-T59 PolarHBondContact OG1-N 3.19Å; T55-T59 PolarHBondContact OG1-O 2.8Å; T55-T59 PolarHBondContact OG1-OG1 3.13Å; T55-Q61 HydrophobicContact CG2-CB 4.05Å; T55-Q61 HydrophobicContact CG2-CG 3.67Å
56	H	97.8	Very high	98.6	Very high	185 Å²	185	36 Å²	36	86%	0.856	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.8	172.2	-70.6	-65.6	0	0	0	112.6	G58	H56-G58 PolarHBondContact O-N 3.04Å
57	D	97.8	Very high	98.5	Very high	145 Å²	145	35.4 Å²	35.4	78%	0.775	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	11.4	-179.8	-57.6	-48.2	0	0	0	113.2	T55 T59	T55-D57 VanDerWaalsContact C-N 3.26Å; T55-D57 PolarHBondContact OG1-N 2.81Å; D57-T59 PolarHBondContact O-N 3.45Å
58	G	98.2	Very high	98.5	Very high	30 Å²	30	38.2 Å²	38.2	31%	0.309	19%	0.188	S	C	.	.	S	Bend	trans	82.7	6.9	175.9	0	0	0	0	0	115.1	Q31 H56	Q31-G58 WeakPolarHBondContact CG-O 3.24Å; Q31-G58 VanDerWaalsContact NE2-CA 3.32Å; H56-G58 PolarHBondContact O-N 3.04Å
59	T	98.7	Very high	98.5	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.037	21%	0.212	C	C	.	.			trans	-95.7	174.2	179.9	67.1	0	0	0	0	112	E25 V26 F27 Q31 T55 D57	E25-T59 HydrophobicContact CG-CG2 4.46Å; E25-T59 WeakPolarHBondContact OE1-CB 3.29Å; E25-T59 PolarHBondContact OE1-OG1 3.06Å; V26-T59 WeakPolarHBondContact O-CA 3.5Å; V26-T59 VanDerWaalsContact O-CB 3.26Å; V26-T59 WeakPolarHBondContact O-CB 3.39Å; F27-T59 HydrophobicContact CB-CG2 4.38Å; F27-T59 HydrophobicContact CD1-CG2 3.34Å; F27-T59 HydrophobicContact CE1-CG2 3.68Å; F27-T59 HydrophobicContact CG-CG2 3.86Å; F27-T59 HydrophobicContact CZ-CG2 4.47Å; Q31-T59 PolarHBondContact NE2-O 3.46Å; T55-T59 WeakPolarHBondContact CB-OG1 3.39Å; T55-T59 WeakPolarHBondContact CG2-OG1 3.48Å; T55-T59 PolarHBondContact N-O 3.01Å; T55-T59 PolarHBondContact OG1-N 3.19Å; T55-T59 PolarHBondContact OG1-O 2.8Å; T55-T59 PolarHBondContact OG1-OG1 3.13Å; D57-T59 PolarHBondContact O-N 3.45Å
60	V	98.8	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.5	166.6	174.5	0	0	0	0	108.6	F24 V26 V30 F35 R36 C52 R53	F24-V60 HydrophobicContact CE2-CG1 4.46Å; V26-V60 PolarHBondContact N-O 3.19Å; V26-V60 PolarHBondContact O-N 2.87Å; V30-V60 HydrophobicContact CB-CG2 4.06Å; V30-V60 HydrophobicContact CG2-CB 4.34Å; V30-V60 HydrophobicContact CG2-CG2 3.88Å; F35-V60 HydrophobicContact CD1-CB 4.2Å; F35-V60 HydrophobicContact CD1-CG1 4.12Å; F35-V60 HydrophobicContact CD1-CG2 4.17Å; R36-V60 HydrophobicContact CG-CG1 4Å; R36-V60 HydrophobicContact CG-CG2 4.33Å; C52-V60 HydrophobicContact CB-CG1 4.23Å; R53-V60 WeakPolarHBondContact O-CA 3.45Å
61	Q	98.8	Very high	98.4	Very high	57 Å²	57	44 Å²	44	27%	0.266	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	162.7	175.9	70.3	175.9	-2.2	0	0	111.4	F24 E25 W51 C52 R53 T55	F24-Q61 CarbonylContact O-C 3.56Å; F24-Q61 WeakPolarHBondContact O-CA 3.48Å; F24-Q61 WeakPolarHBondContact O-CB 3.46Å; E25-Q61 HydrophobicContact CB-CB 4.3Å; E25-Q61 HydrophobicContact CG-CB 4.15Å; W51-Q61 HydrophobicContact CZ3-CG 4.32Å; C52-Q61 CarbonylContact C-O 3.58Å; C52-Q61 WeakPolarHBondContact CA-O 3.49Å; R53-Q61 HydrophobicContact CG-CG 3.79Å; R53-Q61 PolarHBondContact N-O 2.93Å; R53-Q61 PolarHBondContact O-N 3.15Å; T55-Q61 HydrophobicContact CG2-CB 4.05Å; T55-Q61 HydrophobicContact CG2-CG 3.67Å
62	G	98.8	Very high	98.4	Very high	3 Å²	3	48 Å²	48	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-179.8	176.4	0	0	0	0	0	114.5	D23 F24 W51	D23-G62 CarbonylContact C-O 3.6Å; D23-G62 WeakPolarHBondContact CA-O 3.25Å; F24-G62 WeakPolarHBondContact CD1-O 3.49Å; F24-G62 VanDerWaalsContact CE1-C 3.46Å; F24-G62 PolarHBondContact N-O 2.91Å; F24-G62 PolarHBondContact O-N 3.22Å; W51-G62 CarbonylContact O-C 3.57Å; W51-G62 WeakPolarHBondContact O-CA 3.48Å
63	H	98.9	Very high	98.4	Very high	28 Å²	28	49.9 Å²	49.9	13%	0.13	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.2	174.2	-176.1	81.7	0	0	0	107.9	L22 D23 G50 W51 E65 F104	L22-H63 WeakPolarHBondContact O-CA 3.48Å; L22-H63 PolarHBondContact O-ND1 3.26Å; D23-H63 IonicContact OD1-CE1 4Å; D23-H63 IonicContact OD1-CG 3.1Å; D23-H63 IonicContact OD1-ND1 2.64Å; D23-H63 PolarHBondContact OD1-ND1 3.44Å; G50-H63 CarbonylContact C-O 3.55Å; G50-H63 WeakPolarHBondContact CA-O 3.43Å; W51-H63 HydrophobicContact CD2-CB 4.26Å; W51-H63 HydrophobicContact CG-CB 4.45Å; W51-H63 HydrophobicContact CZ2-CB 3.87Å; W51-H63 PolarHBondContact N-O 2.99Å; W51-H63 VanDerWaalsContact NE1-CB 3.34Å; W51-H63 PolarHBondContact O-N 3.37Å; H63-E65 IonicContact CD2-OE1 3.54Å; H63-E65 VanDerWaalsContact NE2-CG 3.35Å; H63-E65 WeakPolarHBondContact NE2-CG 3.45Å; H63-E65 IonicContact NE2-OE1 2.74Å; H63-E65 PolarHBondContact NE2-OE1 2.85Å; H63-F104 AromaticContact CD2-CE2 3.52Å
64	I	98.9	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.2	177.4	63.5	178.7	0	0	0	111.9	S21 L22 F24 V48 V49 V71 M74 F107	S21-I64 CarbonylContact C-O 3.53Å; S21-I64 VanDerWaalsContact CA-O 3.26Å; S21-I64 WeakPolarHBondContact CA-O 3.42Å; L22-I64 HydrophobicContact CD1-CD1 3.76Å; L22-I64 HydrophobicContact CD1-CG1 3.55Å; L22-I64 HydrophobicContact CD2-CD1 4.42Å; L22-I64 HydrophobicContact CD2-CG1 4.48Å; L22-I64 HydrophobicContact CG-CD1 4.08Å; L22-I64 HydrophobicContact CG-CG1 3.68Å; L22-I64 PolarHBondContact N-O 3.33Å; L22-I64 PolarHBondContact O-N 2.93Å; F24-I64 HydrophobicContact CD1-CG2 3.84Å; F24-I64 HydrophobicContact CE1-CG2 3.61Å; V48-I64 HydrophobicContact CG1-CB 3.65Å; V48-I64 HydrophobicContact CG1-CG2 3.95Å; V49-I64 WeakPolarHBondContact O-CA 3.26Å; I64-V71 HydrophobicContact CD1-CG1 3.96Å; I64-V71 HydrophobicContact CG1-CG1 4.32Å; I64-M74 HydrophobicContact CD1-CB 4.06Å; I64-M74 HydrophobicContact CD1-CG 3.78Å; I64-F107 HydrophobicContact CG2-CE2 3.82Å
65	E	98.7	Very high	98.4	Very high	5 Å²	5	46 Å²	46	2%	0.023	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.6	174.6	-52.3	-178.2	162.4	0	0	110.5	V20 V48 V49 H63 I99 L102 T103 F104	V20-E65 WeakPolarHBondContact O-CA 3.41Å; V48-E65 WeakPolarHBondContact CA-O 3.48Å; V49-E65 HydrophobicContact CG2-CB 3.82Å; V49-E65 PolarHBondContact N-O 3.02Å; V49-E65 PolarHBondContact O-N 2.92Å; H63-E65 IonicContact CD2-OE1 3.54Å; H63-E65 VanDerWaalsContact NE2-CG 3.35Å; H63-E65 WeakPolarHBondContact NE2-CG 3.45Å; H63-E65 IonicContact NE2-OE1 2.74Å; H63-E65 PolarHBondContact NE2-OE1 2.85Å; E65-I99 HydrophobicContact CB-CD1 3.93Å; E65-I99 HydrophobicContact CG-CD1 4.05Å; E65-L102 HydrophobicContact CB-CD2 3.81Å; E65-L102 WeakPolarHBondContact OE2-CA 3.21Å; E65-T103 VanDerWaalsContact CD-OG1 3.26Å; E65-T103 WeakPolarHBondContact OE1-CB 3.1Å; E65-T103 WeakPolarHBondContact OE1-CG2 3.11Å; E65-T103 PolarHBondContact OE1-OG1 2.98Å; E65-T103 PolarHBondContact OE2-N 3.06Å; E65-T103 PolarHBondContact OE2-OG1 2.87Å; E65-F104 HydrophobicContact CG-CD2 4.41Å
66	G	98.4	Very high	98.4	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.9	-171	177.2	0	0	0	0	0	112.1	L19 V20	L19-G66 WeakPolarHBondContact CA-O 3.47Å; V20-G66 PolarHBondContact N-O 2.99Å; V20-G66 PolarHBondContact O-N 2.84Å; V20-G66 VanDerWaalsContact O-N 3.11Å
67	S	98	Very high	98.4	Very high	23 Å²	23	40.4 Å²	40.4	16%	0.161	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	148.3	169.4	91.8	0	0	0	0	109.9	E69 S70 V71	S67-E69 WeakPolarHBondContact CB-OE2 3.29Å; S67-E69 PolarHBondContact O-N 2.93Å; S67-E69 VanDerWaalsContact O-N 3.15Å; S67-E69 PolarHBondContact OG-OE2 2.86Å; S67-S70 PolarHBondContact O-N 3.44Å; S67-S70 WeakPolarHBondContact OG-CB 3.31Å; S67-S70 PolarHBondContact OG-N 2.88Å; S67-S70 PolarHBondContact OG-OG 2.74Å; S67-V71 PolarHBondContact O-N 3.49Å
68	R	97.4	Very high	98.5	Very high	116 Å²	116	33.5 Å²	33.5	44%	0.438	17%	0.173	S	C	.	.	H	α-helix	trans	-48.2	-42.6	176.8	177.9	174.5	-71.5	-100	-5.3	113	H18 V20 H72	H18-R68 PolarHBondContact O-N 3.3Å; V20-R68 HydrophobicContact CG1-CB 4.36Å; R68-H72 VanDerWaalsContact O-CB 3.25Å; R68-H72 WeakPolarHBondContact O-CB 3.2Å; R68-H72 PolarHBondContact O-N 2.9Å
69	E	97.5	Very high	98.5	Very high	114 Å²	114	35.8 Å²	35.8	53%	0.533	18%	0.176	S	C	.	.	H	α-helix	trans	-66.6	-44.1	-179.9	-55.7	71.4	-152.3	0	0	111.2	S67 H72 A73	S67-E69 WeakPolarHBondContact CB-OE2 3.29Å; S67-E69 PolarHBondContact O-N 2.93Å; S67-E69 VanDerWaalsContact O-N 3.15Å; S67-E69 PolarHBondContact OG-OE2 2.86Å; E69-H72 PolarHBondContact O-N 3.06Å; E69-A73 WeakPolarHBondContact O-CB 3.38Å; E69-A73 PolarHBondContact O-N 3.16Å
70	S	98.3	Very high	98.5	Very high	22 Å²	22	42.3 Å²	42.3	15%	0.154	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-43.4	180	-55	0	0	0	0	111.4	L46 S67 A73 M74	L46-S70 VanDerWaalsContact O-CB 3.29Å; L46-S70 WeakPolarHBondContact O-CB 3.35Å; L46-S70 PolarHBondContact O-OG 3.35Å; S67-S70 PolarHBondContact O-N 3.44Å; S67-S70 WeakPolarHBondContact OG-CB 3.31Å; S67-S70 PolarHBondContact OG-N 2.88Å; S67-S70 PolarHBondContact OG-OG 2.74Å; S70-A73 PolarHBondContact O-N 3.07Å; S70-M74 WeakPolarHBondContact O-CB 3.02Å; S70-M74 PolarHBondContact O-N 3.46Å
71	V	98.5	Very high	98.5	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-41.5	174.7	170.6	0	0	0	0	110.7	V20 L22 V48 I64 S67 A73 M74 K75	V20-V71 HydrophobicContact CG2-CB 3.64Å; V20-V71 HydrophobicContact CG2-CG1 3.8Å; V20-V71 HydrophobicContact CG2-CG2 3.71Å; L22-V71 HydrophobicContact CD2-CG1 3.5Å; L22-V71 HydrophobicContact CG-CG1 4.17Å; V48-V71 HydrophobicContact CG2-CG2 4.48Å; I64-V71 HydrophobicContact CD1-CG1 3.96Å; I64-V71 HydrophobicContact CG1-CG1 4.32Å; S67-V71 PolarHBondContact O-N 3.49Å; V71-A73 PolarHBondContact O-N 3.18Å; V71-M74 WeakPolarHBondContact O-CB 3.36Å; V71-M74 PolarHBondContact O-N 3.23Å; V71-M74 VanDerWaalsContact O-N 3.16Å; V71-K75 HydrophobicContact CG1-CD 4.44Å; V71-K75 HydrophobicContact CG1-CG 4.49Å; V71-K75 WeakPolarHBondContact O-CG 3.39Å; V71-K75 PolarHBondContact O-N 3.14Å
72	H	98.2	Very high	98.4	Very high	128 Å²	128	43.8 Å²	43.8	59%	0.593	22%	0.218	S	C	*	.	H	α-helix	trans	-62.4	-42.5	175.1	179.7	-103.4	0	0	0	112.6	R68 E69 M74 K75 N76	R68-H72 VanDerWaalsContact O-CB 3.25Å; R68-H72 WeakPolarHBondContact O-CB 3.2Å; R68-H72 PolarHBondContact O-N 2.9Å; E69-H72 PolarHBondContact O-N 3.06Å; H72-M74 VanDerWaalsContact C-N 3.29Å; H72-M74 PolarHBondContact O-N 3.45Å; H72-K75 PolarHBondContact O-N 3.09Å; H72-N76 PolarHBondContact O-N 3.35Å; H72-N76 VanDerWaalsContact O-N 3.09Å
73	A	98.6	Very high	98.4	Very high	39 Å²	39	43.8 Å²	43.8	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-39	173.1	0	0	0	0	0	111.8	L46 E69 S70 V71 N76 W77	L46-A73 HydrophobicContact CD1-CB 3.93Å; L46-A73 HydrophobicContact CD2-CB 4.02Å; E69-A73 WeakPolarHBondContact O-CB 3.38Å; E69-A73 PolarHBondContact O-N 3.16Å; S70-A73 PolarHBondContact O-N 3.07Å; V71-A73 PolarHBondContact O-N 3.18Å; A73-N76 PolarHBondContact O-N 2.93Å; A73-W77 PolarHBondContact O-N 2.86Å; A73-W77 VanDerWaalsContact O-N 3.07Å
74	M	98.8	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-43.9	176.2	-170.7	63.8	176.7	0	0	112.2	T39 K42 A43 L46 V48 I64 S70 V71 H72 N76 W77 L78	T39-M74 HydrophobicContact CG2-CE 3.48Å; T39-M74 VanDerWaalsContact CG2-CE 3.48Å; K42-M74 HydrophobicContact CB-SD 4.4Å; K42-M74 HydrophobicContact CG-SD 3.9Å; A43-M74 HydrophobicContact CB-CE 4.09Å; L46-M74 HydrophobicContact CD1-CB 4.01Å; L46-M74 HydrophobicContact CD1-SD 4.17Å; V48-M74 HydrophobicContact CG1-CG 4.37Å; V48-M74 HydrophobicContact CG2-CB 4.25Å; I64-M74 HydrophobicContact CD1-CB 4.06Å; I64-M74 HydrophobicContact CD1-CG 3.78Å; S70-M74 WeakPolarHBondContact O-CB 3.02Å; S70-M74 PolarHBondContact O-N 3.46Å; V71-M74 WeakPolarHBondContact O-CB 3.36Å; V71-M74 PolarHBondContact O-N 3.23Å; V71-M74 VanDerWaalsContact O-N 3.16Å; H72-M74 VanDerWaalsContact C-N 3.29Å; H72-M74 PolarHBondContact O-N 3.45Å; M74-N76 PolarHBondContact O-N 2.78Å; M74-W77 PolarHBondContact O-N 3.12Å; M74-L78 HydrophobicContact CE-CD1 4.25Å; M74-L78 HydrophobicContact CE-CD2 4.32Å; M74-L78 HydrophobicContact CE-CG 4.26Å; M74-L78 HydrophobicContact CG-CD1 4.03Å; M74-L78 HydrophobicContact CG-CG 4.48Å; M74-L78 WeakPolarHBondContact O-CB 3.48Å; M74-L78 WeakPolarHBondContact O-CG 3.37Å; M74-L78 PolarHBondContact O-N 2.94Å
75	K	98.8	Very high	98.3	Very high	43 Å²	43	53.6 Å²	53.6	19%	0.187	27%	0.271	C	S	.	.	H	α-helix	trans	-55.1	-50.5	174	-68.2	174.2	85.5	166	0	110.7	L22 V71 H72 W77 L78 E79 F93 E96	L22-K75 HydrophobicContact CD2-CD 3.64Å; L22-K75 HydrophobicContact CD2-CG 3.99Å; V71-K75 HydrophobicContact CG1-CD 4.44Å; V71-K75 HydrophobicContact CG1-CG 4.49Å; V71-K75 WeakPolarHBondContact O-CG 3.39Å; V71-K75 PolarHBondContact O-N 3.14Å; H72-K75 PolarHBondContact O-N 3.09Å; K75-W77 VanDerWaalsContact C-N 3.31Å; K75-W77 PolarHBondContact O-N 2.8Å; K75-L78 PolarHBondContact O-N 2.94Å; K75-E79 WeakPolarHBondContact O-CG 3.4Å; K75-E79 PolarHBondContact O-N 3.04Å; K75-F93 HydrophobicContact CB-CE1 3.94Å; K75-F93 HydrophobicContact CB-CE2 4.18Å; K75-F93 HydrophobicContact CB-CZ 3.72Å; K75-F93 HydrophobicContact CD-CD1 4.46Å; K75-F93 HydrophobicContact CG-CD1 3.87Å; K75-F93 HydrophobicContact CG-CE1 3.65Å; K75-F93 HydrophobicContact CG-CE2 4.4Å; K75-F93 HydrophobicContact CG-CG 4.33Å; K75-F93 HydrophobicContact CG-CZ 3.94Å; K75-E96 IonicContact NZ-OE2 3.82Å; K75-E96 PolarHBondContact NZ-OE2 3.2Å
76	N	98.8	Very high	98.3	Very high	63 Å²	63	54.5 Å²	54.5	34%	0.337	28%	0.278	S	S	.	.	H	α-helix	trans	-59.4	-40.9	179.3	-172.3	-82.3	0	0	0	112.5	H72 A73 M74 E79 K80	H72-N76 PolarHBondContact O-N 3.35Å; H72-N76 VanDerWaalsContact O-N 3.09Å; A73-N76 PolarHBondContact O-N 2.93Å; M74-N76 PolarHBondContact O-N 2.78Å; N76-E79 PolarHBondContact O-N 2.89Å; N76-K80 PolarHBondContact ND2-NZ 2.95Å; N76-K80 WeakPolarHBondContact O-CB 3.03Å; N76-K80 PolarHBondContact O-N 3.41Å
77	W	98.8	Very high	98.3	Very high	22 Å²	22	61 Å²	61	8%	0.083	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-42.2	177.2	-175.3	89.7	0	0	0	112.5	F35 F38 K42 A73 M74 K75 E79 K80 T81 G82	F35-W77 HydrophobicContact CZ-CZ3 4.42Å; F38-W77 HydrophobicContact CB-CH2 3.86Å; F38-W77 HydrophobicContact CB-CZ2 4.03Å; K42-W77 HydrophobicContact CB-CD2 4.12Å; K42-W77 HydrophobicContact CB-CE3 4.4Å; K42-W77 HydrophobicContact CB-CZ2 4.28Å; K42-W77 HydrophobicContact CD-CG 4.21Å; K42-W77 VanDerWaalsContact CE-CD1 3.48Å; K42-W77 HydrophobicContact CG-CB 4.27Å; K42-W77 HydrophobicContact CG-CD2 3.75Å; K42-W77 HydrophobicContact CG-CE3 4.28Å; K42-W77 HydrophobicContact CG-CG 3.73Å; A73-W77 PolarHBondContact O-N 2.86Å; A73-W77 VanDerWaalsContact O-N 3.07Å; M74-W77 PolarHBondContact O-N 3.12Å; K75-W77 VanDerWaalsContact C-N 3.31Å; K75-W77 PolarHBondContact O-N 2.8Å; W77-E79 VanDerWaalsContact C-N 3.27Å; W77-E79 PolarHBondContact O-N 3.04Å; W77-K80 PolarHBondContact O-N 2.97Å; W77-T81 VanDerWaalsContact CD1-CB 3.44Å; W77-T81 PolarHBondContact O-N 2.61Å; W77-G82 WeakPolarHBondContact CZ2-O 3.34Å; W77-G82 PolarHBondContact O-N 2.53Å
78	L	98.8	Very high	98.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-29.6	176.6	-73.3	167.6	0	0	0	112.6	F24 V26 F35 T39 M74 K75 I88 F93	F24-L78 HydrophobicContact CB-CD1 4.39Å; F24-L78 HydrophobicContact CD1-CD1 4.08Å; F24-L78 HydrophobicContact CD2-CD1 3.98Å; F24-L78 HydrophobicContact CD2-CD2 4.31Å; F24-L78 HydrophobicContact CE1-CD1 4.33Å; F24-L78 HydrophobicContact CE2-CD1 4.25Å; F24-L78 HydrophobicContact CE2-CD2 3.99Å; F24-L78 HydrophobicContact CG-CD1 3.88Å; F24-L78 HydrophobicContact CZ-CD1 4.4Å; F24-L78 HydrophobicContact CZ-CD2 4.37Å; V26-L78 HydrophobicContact CG2-CB 4.26Å; V26-L78 HydrophobicContact CG2-CD2 3.96Å; F35-L78 HydrophobicContact CE1-CD2 4.08Å; F35-L78 HydrophobicContact CZ-CD2 4.39Å; T39-L78 HydrophobicContact CG2-CD2 4.2Å; M74-L78 HydrophobicContact CE-CD1 4.25Å; M74-L78 HydrophobicContact CE-CD2 4.32Å; M74-L78 HydrophobicContact CE-CG 4.26Å; M74-L78 HydrophobicContact CG-CD1 4.03Å; M74-L78 HydrophobicContact CG-CG 4.48Å; M74-L78 WeakPolarHBondContact O-CB 3.48Å; M74-L78 WeakPolarHBondContact O-CG 3.37Å; M74-L78 PolarHBondContact O-N 2.94Å; K75-L78 PolarHBondContact O-N 2.94Å; L78-I88 WeakPolarHBondContact O-CD1 3.14Å; L78-F93 HydrophobicContact CB-CE1 4.47Å; L78-F93 HydrophobicContact CB-CZ 4.27Å; L78-F93 HydrophobicContact CD1-CE1 4.09Å
79	E	98.5	Very high	98.4	Very high	78 Å²	78	62.9 Å²	62.9	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-79.4	-39	175.9	-75	172.8	167	0	0	113.2	K75 N76 W77 I88 A91 F93	K75-E79 WeakPolarHBondContact O-CG 3.4Å; K75-E79 PolarHBondContact O-N 3.04Å; N76-E79 PolarHBondContact O-N 2.89Å; W77-E79 VanDerWaalsContact C-N 3.27Å; W77-E79 PolarHBondContact O-N 3.04Å; E79-I88 WeakPolarHBondContact O-CG2 3.5Å; E79-A91 HydrophobicContact CG-CB 3.9Å; E79-F93 HydrophobicContact CG-CE2 3.69Å; E79-F93 HydrophobicContact CG-CZ 3.94Å; E79-F93 VanDerWaalsContact OE1-CE2 3.29Å; E79-F93 WeakPolarHBondContact OE1-CE2 3.04Å
80	K	98.2	Very high	98.4	Very high	142 Å²	142	61.8 Å²	61.8	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-122.1	-23.8	-160	-59.8	178.7	-174.9	170.9	0	115.6	N76 W77	N76-K80 PolarHBondContact ND2-NZ 2.95Å; N76-K80 WeakPolarHBondContact O-CB 3.03Å; N76-K80 PolarHBondContact O-N 3.41Å; W77-K80 PolarHBondContact O-N 2.97Å
81	T	98.6	Very high	98.5	Very high	83 Å²	83	61.7 Å²	61.7	51%	0.509	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-62.3	-170	-53.7	0	0	0	0	111.8	W77	W77-T81 VanDerWaalsContact CD1-CB 3.44Å; W77-T81 PolarHBondContact O-N 2.61Å
82	G	98.1	Very high	98.5	Very high	5 Å²	5	66.1 Å²	66.1	5%	0.052	33%	0.332	C	S	.	.			trans	55.9	-157.9	-177.3	0	0	0	0	0	114.5	W77	W77-G82 WeakPolarHBondContact CZ2-O 3.34Å; W77-G82 PolarHBondContact O-N 2.53Å
83	S	98.2	Very high	98.5	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.021	31%	0.314	C	S	.	.	S	Bend	trans	-77.6	155.2	173.5	58.3	0	0	0	0	112.5	V33 H85 S86	V33-S83 WeakPolarHBondContact O-CB 3.48Å; V33-S83 PolarHBondContact O-OG 3.47Å; V33-S83 VanDerWaalsContact O-OG 3.14Å; S83-H85 PolarHBondContact O-N 2.73Å; S83-S86 PolarHBondContact N-OG 3.06Å; S83-S86 PolarHBondContact O-N 3.36Å; S83-S86 PolarHBondContact O-OG 3.27Å; S83-S86 WeakPolarHBondContact OG-CB 3.49Å; S83-S86 PolarHBondContact OG-OG 2.96Å
84	P	98.1	Very high	98.5	Very high	95 Å²	95	63.4 Å²	63.4	62%	0.617	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-27.4	-176.6	-29.5	35.6	0	0	0	116.4	F38	F38-P84 VanDerWaalsContact CE1-CD 3.45Å; F38-P84 HydrophobicContact CE1-CG 3.84Å; F38-P84 HydrophobicContact CE2-CG 4.42Å; F38-P84 HydrophobicContact CZ-CG 3.71Å
85	H	97.4	Very high	98.5	Very high	139 Å²	139	68.9 Å²	68.9	64%	0.644	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	7.1	-178.7	-60.2	-54.5	0	0	0	113.7	V33 S83	V33-H85 HydrophobicContact CB-CB 4.23Å; V33-H85 HydrophobicContact CG1-CB 4.16Å; S83-H85 PolarHBondContact O-N 2.73Å
86	S	98.4	Very high	98.5	Very high	24 Å²	24	71.7 Å²	71.7	17%	0.168	36%	0.363	C	S	.	.			trans	-80.1	157.7	173.6	49.9	0	0	0	0	112.3	R29 F35 S83	R29-S86 CarbonylContact O-C 3.59Å; R29-S86 WeakPolarHBondContact O-CA 3.2Å; R29-S86 WeakPolarHBondContact O-CB 3.23Å; F35-S86 WeakPolarHBondContact CD2-OG 3.41Å; S83-S86 PolarHBondContact N-OG 3.06Å; S83-S86 PolarHBondContact O-N 3.36Å; S83-S86 PolarHBondContact O-OG 3.27Å; S83-S86 WeakPolarHBondContact OG-CB 3.49Å; S83-S86 PolarHBondContact OG-OG 2.96Å
87	K	98.5	Very high	98.4	Very high	140 Å²	140	71.3 Å²	71.3	61%	0.609	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	104.7	164.9	-175.6	-176.8	179	-171.5	0	107.3	G28 R29	G28-K87 CarbonylContact C-O 3.48Å; G28-K87 WeakPolarHBondContact CA-O 3.33Å; R29-K87 HydrophobicContact CB-CB 4.05Å; R29-K87 PolarHBondContact N-O 2.99Å; R29-K87 PolarHBondContact O-N 3.42Å
88	I	98.7	Very high	98.4	Very high	36 Å²	36	74.5 Å²	74.5	19%	0.185	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	127.1	176.1	-62.5	156.9	0	0	0	107.8	V26 F35 L78 E79	V26-I88 HydrophobicContact CG1-CB 4.41Å; V26-I88 HydrophobicContact CG1-CG1 3.9Å; V26-I88 HydrophobicContact CG1-CG2 3.81Å; F35-I88 HydrophobicContact CE2-CD1 4.1Å; F35-I88 HydrophobicContact CE2-CG1 4Å; F35-I88 HydrophobicContact CZ-CD1 4.27Å; F35-I88 HydrophobicContact CZ-CG1 4.33Å; L78-I88 WeakPolarHBondContact O-CD1 3.14Å; E79-I88 WeakPolarHBondContact O-CG2 3.5Å
89	E	98.6	Very high	98.3	Very high	142 Å²	142	76.4 Å²	76.4	66%	0.664	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	-42.3	175.2	-70.2	176.8	178.6	0	0	111.1	F27	F27-E89 PolarHBondContact O-N 2.97Å
90	K	98.4	Very high	98.2	Very high	90 Å²	90	78.4 Å²	78.4	39%	0.391	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	156.7	171.2	60.8	168.7	-175.7	162.9	0	110	F27 E92	F27-K90 HydrophobicContact CB-CD 4.44Å; F27-K90 HydrophobicContact CB-CG 3.59Å; F27-K90 HydrophobicContact CD2-CD 3.9Å; F27-K90 HydrophobicContact CD2-CG 3.52Å; F27-K90 VanDerWaalsContact CE1-CE 3.48Å; F27-K90 HydrophobicContact CE2-CD 4.22Å; F27-K90 VanDerWaalsContact CE2-CE 3.49Å; F27-K90 HydrophobicContact CE2-CG 4.3Å; F27-K90 HydrophobicContact CG-CD 4.07Å; F27-K90 HydrophobicContact CG-CG 3.65Å; F27-K90 PolarHBondContact N-O 3.05Å; K90-E92 HydrophobicContact CD-CG 4.42Å; K90-E92 IonicContact NZ-OE1 2.67Å; K90-E92 PolarHBondContact NZ-OE1 2.99Å; K90-E92 IonicContact NZ-OE2 3.98Å
91	A	98.8	Very high	98.1	Very high	21 Å²	21	74.9 Å²	74.9	17%	0.174	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.7	163.2	0	0	0	0	0	108.1	E25 V26 E79 F93	E25-A91 CarbonylContact O-C 3.52Å; E25-A91 WeakPolarHBondContact O-CA 3.4Å; V26-A91 HydrophobicContact CG1-CB 4.48Å; V26-A91 HydrophobicContact CG2-CB 4.29Å; E79-A91 HydrophobicContact CG-CB 3.9Å; A91-F93 HydrophobicContact CB-CE2 4.03Å; A91-F93 HydrophobicContact CB-CZ 3.96Å
92	E	98.8	Very high	98.1	Very high	95 Å²	95	74 Å²	74	44%	0.444	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	144.3	176.6	-68.1	179.2	178.4	0	0	109	F24 E25 F27 K90	F24-E92 CarbonylContact C-O 3.57Å; F24-E92 VanDerWaalsContact CA-O 3.23Å; F24-E92 WeakPolarHBondContact CA-O 3.33Å; E25-E92 PolarHBondContact N-O 3.44Å; E25-E92 PolarHBondContact O-N 2.95Å; F27-E92 HydrophobicContact CE2-CB 4.32Å; F27-E92 HydrophobicContact CE2-CG 4.04Å; K90-E92 HydrophobicContact CD-CG 4.42Å; K90-E92 IonicContact NZ-OE1 2.67Å; K90-E92 PolarHBondContact NZ-OE1 2.99Å; K90-E92 IonicContact NZ-OE2 3.98Å
93	F	98.8	Very high	98.1	Very high	49 Å²	49	78.4 Å²	78.4	22%	0.215	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133.8	179	-55.8	-78.9	0	0	0	108.8	L22 D23 F24 K75 L78 E79 A91	L22-F93 HydrophobicContact CD1-CB 4.4Å; L22-F93 HydrophobicContact CD1-CD1 3.64Å; L22-F93 HydrophobicContact CD1-CE1 4.46Å; L22-F93 HydrophobicContact CD1-CG 4.47Å; D23-F93 WeakPolarHBondContact O-CA 3.19Å; F24-F93 HydrophobicContact CB-CD1 3.63Å; F24-F93 HydrophobicContact CB-CE1 3.75Å; K75-F93 HydrophobicContact CB-CE1 3.94Å; K75-F93 HydrophobicContact CB-CE2 4.18Å; K75-F93 HydrophobicContact CB-CZ 3.72Å; K75-F93 HydrophobicContact CD-CD1 4.46Å; K75-F93 HydrophobicContact CG-CD1 3.87Å; K75-F93 HydrophobicContact CG-CE1 3.65Å; K75-F93 HydrophobicContact CG-CE2 4.4Å; K75-F93 HydrophobicContact CG-CG 4.33Å; K75-F93 HydrophobicContact CG-CZ 3.94Å; L78-F93 HydrophobicContact CB-CE1 4.47Å; L78-F93 HydrophobicContact CB-CZ 4.27Å; L78-F93 HydrophobicContact CD1-CE1 4.09Å; E79-F93 HydrophobicContact CG-CE2 3.69Å; E79-F93 HydrophobicContact CG-CZ 3.94Å; E79-F93 VanDerWaalsContact OE1-CE2 3.29Å; E79-F93 WeakPolarHBondContact OE1-CE2 3.04Å; A91-F93 HydrophobicContact CB-CE2 4.03Å; A91-F93 HydrophobicContact CB-CZ 3.96Å
94	S	98.8	Very high	98.1	Very high	62 Å²	62	80.7 Å²	80.7	43%	0.434	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	172.1	-175.4	63.1	0	0	0	0	110.7	D23 E96	D23-S94 PolarHBondContact N-O 3.5Å; D23-S94 PolarHBondContact O-N 3.45Å; S94-E96 PolarHBondContact O-N 3.39Å
95	N	98.4	Very high	98	Very high	115 Å²	115	83.2 Å²	83.2	62%	0.615	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.5	32.3	177.3	-56.6	-34.9	0	0	0	113.7	D23 S97	D23-N95 PolarHBondContact OD2-ND2 3.41Å; N95-S97 PolarHBondContact O-N 3.33Å
96	E	98.4	Very high	98.1	Very high	101 Å²	101	79.9 Å²	79.9	47%	0.472	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	125.2	179.7	-169.9	171.8	136.2	0	0	110	S21 L22 K75 S94	S21-E96 CarbonylContact O-C 3.6Å; S21-E96 VanDerWaalsContact O-CA 3.29Å; S21-E96 WeakPolarHBondContact O-CA 3.34Å; L22-E96 HydrophobicContact CB-CB 4.12Å; L22-E96 HydrophobicContact CB-CG 4.31Å; L22-E96 HydrophobicContact CD2-CG 4.45Å; K75-E96 IonicContact NZ-OE2 3.82Å; K75-E96 PolarHBondContact NZ-OE2 3.2Å; S94-E96 PolarHBondContact O-N 3.39Å
97	S	97.9	Very high	98.1	Very high	55 Å²	55	78.8 Å²	78.8	39%	0.385	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.6	-178	72.3	0	0	0	0	112	V20 S21 N95	V20-S97 CarbonylContact C-O 3.48Å; V20-S97 VanDerWaalsContact CA-O 3.22Å; V20-S97 WeakPolarHBondContact CA-O 3.37Å; S21-S97 PolarHBondContact N-O 2.71Å; S21-S97 PolarHBondContact O-N 2.94Å; S21-S97 PolarHBondContact OG-OG 2.97Å; N95-S97 PolarHBondContact O-N 3.33Å
98	S	97.9	Very high	98.1	Very high	90 Å²	90	76.6 Å²	76.6	63%	0.629	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.5	168.4	-61.1	0	0	0	0	109.3	L19	L19-S98 WeakPolarHBondContact O-CA 3.34Å
99	I	97.6	Very high	98.1	Very high	39 Å²	39	77.7 Å²	77.7	20%	0.2	43%	0.429	C	S	.	.			trans	-119.5	152	179.8	55.9	169.2	0	0	0	110.3	L19 S21 E65 S101 L102	L19-I99 HydrophobicContact CB-CD1 4.23Å; L19-I99 HydrophobicContact CB-CG1 3.67Å; L19-I99 PolarHBondContact O-N 2.59Å; S21-I99 WeakPolarHBondContact OG-CG2 3.37Å; E65-I99 HydrophobicContact CB-CD1 3.93Å; E65-I99 HydrophobicContact CG-CD1 4.05Å; I99-S101 WeakPolarHBondContact CD1-O 3.29Å; I99-L102 HydrophobicContact CD1-CD2 4.36Å
100	S	95.7	Very high	98.1	Very high	120 Å²	120	75.1 Å²	75.1	84%	0.839	42%	0.415	S	S	*	.	S	Bend	trans	-88.1	-18.7	178.8	52.4	0	0	0	0	113.4
101	S	96.6	Very high	97.7	Very high	69 Å²	69	80.5 Å²	80.5	48%	0.483	44%	0.441	S	S	.	.	S	Bend	trans	-157	151.3	-177.2	56.7	0	0	0	0	110.1	I99	I99-S101 WeakPolarHBondContact CD1-O 3.29Å
102	L	97.9	Very high	97.6	Very high	63 Å²	63	83.5 Å²	83.5	33%	0.33	46%	0.455	S	S	.	.			trans	-66.4	139.2	168.6	-57.2	177.2	0	0	0	110.2	L19 V49 E65 I99	L19-L102 HydrophobicContact CD1-CD2 4.32Å; L19-L102 HydrophobicContact CD1-CG 4.37Å; L19-L102 HydrophobicContact CD2-CD2 4.2Å; V49-L102 HydrophobicContact CG1-CD1 4.47Å; V49-L102 HydrophobicContact CG2-CB 4.23Å; V49-L102 HydrophobicContact CG2-CD1 4.11Å; V49-L102 HydrophobicContact CG2-CD2 3.94Å; V49-L102 HydrophobicContact CG2-CG 4.31Å; E65-L102 HydrophobicContact CB-CD2 3.81Å; E65-L102 WeakPolarHBondContact OE2-CA 3.21Å; I99-L102 HydrophobicContact CD1-CD2 4.36Å
103	T	97.9	Very high	97.6	Very high	98 Å²	98	82.8 Å²	82.8	60%	0.601	46%	0.455	S	S	*	.	S	Bend	trans	-97.3	-13	175.2	73.3	0	0	0	0	112.6	E65	E65-T103 VanDerWaalsContact CD-OG1 3.26Å; E65-T103 WeakPolarHBondContact OE1-CB 3.1Å; E65-T103 WeakPolarHBondContact OE1-CG2 3.11Å; E65-T103 PolarHBondContact OE1-OG1 2.98Å; E65-T103 PolarHBondContact OE2-N 3.06Å; E65-T103 PolarHBondContact OE2-OG1 2.87Å
104	F	98.3	Very high	97.5	Very high	52 Å²	52	84.7 Å²	84.7	23%	0.228	47%	0.469	C	S	.	.			trans	-118.9	141.6	176.5	-59.7	-90.1	0	0	0	111.3	V49 W51 H63 E65	V49-F104 HydrophobicContact CB-CB 3.96Å; V49-F104 HydrophobicContact CG2-CB 3.95Å; V49-F104 WeakPolarHBondContact CG2-O 3.33Å; W51-F104 AromaticContact CD1-CE1 3.65Å; W51-F104 AromaticContact CD1-CZ 3.52Å; W51-F104 AromaticContact NE1-CZ 3.78Å; H63-F104 AromaticContact CD2-CE2 3.52Å; E65-F104 HydrophobicContact CG-CD2 4.41Å
105	D	97	Very high	97.4	Very high	147 Å²	147	86.1 Å²	86.1	79%	0.786	47%	0.471	S	S	*	.	S	Bend	trans	-79.6	-25.6	175.3	-60.5	-38.7	0	0	0	112.6
106	N	98.1	Very high	97.4	Very high	70 Å²	70	84.3 Å²	84.3	37%	0.374	46%	0.462	S	S	.	.	S	Bend	trans	-152.4	178.6	-173.1	-73.5	-72.4	0	0	0	111.5	G50 H108	G50-N106 PolarHBondContact N-O 2.83Å; N106-H108 PolarHBondContact O-CD2 2.85Å
107	F	98.8	Very high	97.3	Very high	1 Å²	1	83.1 Å²	83.1	0%	0.004	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.7	170.2	-159.5	-79	0	0	0	112	T39 K40 A43 G50 C52 I64	T39-F107 HydrophobicContact CG2-CE1 4.02Å; T39-F107 HydrophobicContact CG2-CE2 4.49Å; T39-F107 HydrophobicContact CG2-CZ 3.67Å; K40-F107 HydrophobicContact CB-CD1 3.92Å; K40-F107 HydrophobicContact CB-CE1 4.48Å; K40-F107 VanDerWaalsContact CE-O 3.24Å; K40-F107 WeakPolarHBondContact CE-O 3.22Å; K40-F107 HydrophobicContact CG-CB 4.2Å; K40-F107 HydrophobicContact CG-CD1 3.94Å; K40-F107 HydrophobicContact CG-CG 4.47Å; A43-F107 HydrophobicContact CB-CB 3.84Å; A43-F107 HydrophobicContact CB-CD1 4.34Å; A43-F107 HydrophobicContact CB-CD2 3.26Å; A43-F107 HydrophobicContact CB-CE2 3.81Å; A43-F107 HydrophobicContact CB-CG 3.55Å; G50-F107 CarbonylContact O-C 3.58Å; G50-F107 WeakPolarHBondContact O-CA 3.26Å; C52-F107 HydrophobicContact CB-CE1 3.94Å; C52-F107 HydrophobicContact CB-CZ 3.92Å; I64-F107 HydrophobicContact CG2-CE2 3.82Å
108	H	98.7	Very high	97.3	Very high	94 Å²	94	85.1 Å²	85.1	44%	0.435	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.9	-176	-61.6	-87.3	0	0	0	112.8	G50 W51 C52 N106	G50-H108 PolarHBondContact O-N 3.49Å; W51-H108 CarbonylContact C-O 3.55Å; W51-H108 WeakPolarHBondContact CA-O 3.45Å; W51-H108 HydrophobicContact CB-CB 4.29Å; W51-H108 WeakPolarHBondContact CB-O 3.41Å; C52-H108 PolarHBondContact N-O 3.27Å; N106-H108 PolarHBondContact O-CD2 2.85Å
109	I	98.6	Very high	97.2	Very high	59 Å²	59	84.8 Å²	84.8	30%	0.303	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111.7	167.5	-61	173.9	0	0	0	107.4	R36 K40	R36-I109 HydrophobicContact CB-CD1 4.41Å; R36-I109 HydrophobicContact CB-CG1 4.41Å; R36-I109 HydrophobicContact CB-CG2 4.02Å; R36-I109 WeakPolarHBondContact O-CD1 3.45Å; K40-I109 HydrophobicContact CB-CD1 4Å; K40-I109 HydrophobicContact CB-CG1 4.04Å; K40-I109 HydrophobicContact CD-CD1 4.22Å; K40-I109 HydrophobicContact CD-CG1 4.34Å
110	K	98.4	Very high	97.2	Very high	87 Å²	87	88.6 Å²	88.6	38%	0.378	48%	0.475	S	S	.	.			trans	-90.9	152.6	174.5	-69.5	179.4	-179.5	173.8	0	110.2	R36 W51 C52 R53	R36-K110 PolarHBondContact NH1-O 2.67Å; W51-K110 HydrophobicContact CB-CD 3.91Å; W51-K110 HydrophobicContact CB-CG 4.15Å; W51-K110 HydrophobicContact CD2-CD 3.77Å; W51-K110 HydrophobicContact CE3-CD 3.88Å; W51-K110 HydrophobicContact CG-CD 3.78Å; W51-K110 VanDerWaalsContact CG-CE 3.44Å; W51-K110 VanDerWaalsContact CG-NZ 3.3Å; C52-K110 PolarHBondContact O-N 2.91Å; R53-K110 HydrophobicContact CB-CB 4Å
111	H	90.3	Very high	97.3	Very high	203 Å²	203	85.7 Å²	85.7	94%	0.94	44%	0.442	S	S	*	.			trans	-98.7	0	179.6	-70.1	-87	0	0	0	111.3

Retrieved 111 of 111 residues in 770.4 ms (Link to these results)

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