A0A077ZN18_TRITR Loading...

Serpin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN18, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 136 aa.

						>A0A077ZN18_TRITR|A0A077ZN18
MKSKLFESSPREGQINNLMSRATKSLNYSNTRDGYELHIANRLFGQLKLQVLPEFIQCIQEHYSADMELLDFKKGLEACKHINDWVEKKTKGKIKDLIPQEAIDPLTSLVLINAIYFKADWKTPFKTALTKILPST
					

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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	45.6	Very low	61.1	Low	246 Å²	246	147.9 Å²	147.9	100%	1.212	74%	0.736	S	S	*	*				0	25.7	0	-145.6	171.5	-163.5	0	0	113.4
2	K	47.2	Very low	63.1	Low	203 Å²	203	147.1 Å²	147.1	88%	0.883	73%	0.729	S	S	*	*			trans	-107.9	9.1	-170.9	-91	-169.9	175.9	-175.5	0	116.4
3	S	52.1	Low	65	Low	78 Å²	78	139 Å²	139	55%	0.545	71%	0.706	S	S	.	*	S	Bend	trans	-106.9	-18.5	-171.1	67.8	0	0	0	0	117.4
4	K	53.7	Low	66.8	Low	178 Å²	178	137.4 Å²	137.4	77%	0.774	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-16.8	-174.5	-70.2	-166	176.5	-170.8	0	115.8
5	L	51.9	Low	68.5	Low	154 Å²	154	132.2 Å²	132.2	81%	0.806	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-23.5	-174.8	-115.1	96.4	0	0	0	113.9
6	F	56.1	Low	70	Confident	169 Å²	169	124.8 Å²	124.8	74%	0.741	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-20.3	-177.1	-67.7	-76.2	0	0	0	113.5	S8 S9	F6-S8 VanDerWaalsContact C-N 3.25Å; F6-S8 PolarHBondContact O-N 2.78Å; F6-S9 WeakPolarHBondContact O-CB 3.23Å; F6-S9 PolarHBondContact O-N 3.2Å
7	E	57.7	Low	71.4	Confident	157 Å²	157	123.3 Å²	123.3	73%	0.734	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-23.6	-178.9	-73.9	175.7	-176.7	0	0	113.5
8	S	70.4	Confident	72.5	Confident	99 Å²	99	122.4 Å²	122.4	69%	0.692	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	9.8	176.8	60.7	0	0	0	0	114.1	F6	F6-S8 VanDerWaalsContact C-N 3.25Å; F6-S8 PolarHBondContact O-N 2.78Å
9	S	70.3	Confident	73.4	Confident	73 Å²	73	119.3 Å²	119.3	51%	0.51	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-62.6	131.2	175.8	-172.1	0	0	0	0	109.5	F6	F6-S9 WeakPolarHBondContact O-CB 3.23Å; F6-S9 PolarHBondContact O-N 3.2Å
10	P	80.2	Confident	74.3	Confident	67 Å²	67	114 Å²	114	44%	0.435	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-54.1	145.8	175.8	-21.5	30.9	0	0	0	110.7	Q14 I15	P10-Q14 HydrophobicContact CB-CB 3.88Å; P10-I15 HydrophobicContact CB-CG1 3.84Å; P10-I15 HydrophobicContact CG-CG1 4.48Å; P10-I15 WeakPolarHBondContact O-CD1 3.47Å
11	R	87.1	Confident	75.1	Confident	203 Å²	203	117.6 Å²	117.6	77%	0.766	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-63	154.2	174.3	-63.1	-179.4	-176.8	168.7	0.9	109.5	G13 Q14 I15	R11-G13 VanDerWaalsContact C-N 3.27Å; R11-G13 PolarHBondContact O-N 2.89Å; R11-G13 VanDerWaalsContact O-N 3.15Å; R11-Q14 HydrophobicContact CB-CG 4.43Å; R11-Q14 WeakPolarHBondContact O-CA 3.37Å; R11-Q14 VanDerWaalsContact O-CB 3.31Å; R11-Q14 WeakPolarHBondContact O-CB 3.41Å; R11-Q14 PolarHBondContact O-N 3.49Å; R11-I15 PolarHBondContact O-N 3.15Å
12	E	84.3	Confident	77.1	Confident	138 Å²	138	107.1 Å²	107.1	65%	0.645	54%	0.539	S	S	*	.	H	α-helix	trans	-47.7	-48.1	-179.8	-174.8	-175	164.3	0	0	112.8	Q14 I15 N16	E12-Q14 VanDerWaalsContact C-N 3.27Å; E12-Q14 PolarHBondContact O-N 3.23Å; E12-I15 PolarHBondContact O-N 3.26Å; E12-I15 VanDerWaalsContact O-N 3.08Å; E12-N16 WeakPolarHBondContact O-CB 3.38Å; E12-N16 PolarHBondContact O-N 2.94Å
13	G	88.1	Confident	79	Confident	42 Å²	42	97.8 Å²	97.8	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-61.8	-30.4	176.8	0	0	0	0	0	114.2	R11 N17	R11-G13 VanDerWaalsContact C-N 3.27Å; R11-G13 PolarHBondContact O-N 2.89Å; R11-G13 VanDerWaalsContact O-N 3.15Å; G13-N17 VanDerWaalsContact O-CB 3.28Å; G13-N17 WeakPolarHBondContact O-CB 3.44Å; G13-N17 PolarHBondContact O-N 3.46Å; G13-N17 VanDerWaalsContact O-N 3.14Å; G13-N17 PolarHBondContact O-ND2 3.04Å
14	Q	91	Very high	80.5	Confident	117 Å²	117	100.6 Å²	100.6	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-72.5	-40.8	173.5	-64.8	175.5	-46.9	0	0	111.1	P10 R11 E12 L18	P10-Q14 HydrophobicContact CB-CB 3.88Å; R11-Q14 HydrophobicContact CB-CG 4.43Å; R11-Q14 WeakPolarHBondContact O-CA 3.37Å; R11-Q14 VanDerWaalsContact O-CB 3.31Å; R11-Q14 WeakPolarHBondContact O-CB 3.41Å; R11-Q14 PolarHBondContact O-N 3.49Å; E12-Q14 VanDerWaalsContact C-N 3.27Å; E12-Q14 PolarHBondContact O-N 3.23Å; Q14-L18 VanDerWaalsContact O-CB 3.3Å; Q14-L18 WeakPolarHBondContact O-CB 3.48Å; Q14-L18 PolarHBondContact O-N 3.39Å
15	I	91.6	Very high	82	Confident	59 Å²	59	95.8 Å²	95.8	30%	0.303	49%	0.49	S	S	.	.	H	α-helix	trans	-63.1	-52.1	175.9	-60.2	178.7	0	0	0	109.8	P10 R11 E12 N17 L18 M19	P10-I15 HydrophobicContact CB-CG1 3.84Å; P10-I15 HydrophobicContact CG-CG1 4.48Å; P10-I15 WeakPolarHBondContact O-CD1 3.47Å; R11-I15 PolarHBondContact O-N 3.15Å; E12-I15 PolarHBondContact O-N 3.26Å; E12-I15 VanDerWaalsContact O-N 3.08Å; I15-N17 VanDerWaalsContact C-N 3.33Å; I15-N17 PolarHBondContact O-N 3.16Å; I15-L18 WeakPolarHBondContact O-CB 3.28Å; I15-L18 PolarHBondContact O-N 2.98Å; I15-L18 VanDerWaalsContact O-N 3.11Å; I15-M19 HydrophobicContact CG2-CG 4.1Å; I15-M19 WeakPolarHBondContact O-CB 3.37Å; I15-M19 VanDerWaalsContact O-CG 3.3Å; I15-M19 WeakPolarHBondContact O-CG 3.29Å; I15-M19 PolarHBondContact O-N 3.36Å
16	N	93	Very high	83.4	Confident	13 Å²	13	92 Å²	92	7%	0.07	47%	0.47	C	S	.	.	H	α-helix	trans	-59.4	-43.5	-178.2	-71.5	-4.9	0	0	0	111.8	E12 M19 S20 H62 Y63	E12-N16 WeakPolarHBondContact O-CB 3.38Å; E12-N16 PolarHBondContact O-N 2.94Å; N16-M19 PolarHBondContact O-N 2.91Å; N16-S20 WeakPolarHBondContact O-CB 3.31Å; N16-S20 PolarHBondContact O-N 3.14Å; N16-H62 HydrophobicContact CB-CB 4.04Å; N16-Y63 WeakPolarHBondContact OD1-CE2 3.42Å; N16-Y63 PolarHBondContact OD1-OH 3.28Å
17	N	92.7	Very high	84.2	Confident	100 Å²	100	87.2 Å²	87.2	54%	0.535	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-41.1	175.7	-77	-35.3	0	0	0	112.6	G13 I15 R21	G13-N17 VanDerWaalsContact O-CB 3.28Å; G13-N17 WeakPolarHBondContact O-CB 3.44Å; G13-N17 PolarHBondContact O-N 3.46Å; G13-N17 VanDerWaalsContact O-N 3.14Å; G13-N17 PolarHBondContact O-ND2 3.04Å; I15-N17 VanDerWaalsContact C-N 3.33Å; I15-N17 PolarHBondContact O-N 3.16Å; N17-R21 VanDerWaalsContact O-CG 3.28Å; N17-R21 WeakPolarHBondContact O-CG 3.43Å; N17-R21 PolarHBondContact O-N 2.9Å; N17-R21 VanDerWaalsContact O-N 3.15Å
18	L	91.6	Very high	84.6	Confident	107 Å²	107	85.7 Å²	85.7	56%	0.56	44%	0.441	S	S	*	.	H	α-helix	trans	-63.3	-47.8	176.3	177.8	62.9	0	0	0	111.1	Q14 I15 R21 A22	Q14-L18 VanDerWaalsContact O-CB 3.3Å; Q14-L18 WeakPolarHBondContact O-CB 3.48Å; Q14-L18 PolarHBondContact O-N 3.39Å; I15-L18 WeakPolarHBondContact O-CB 3.28Å; I15-L18 PolarHBondContact O-N 2.98Å; I15-L18 VanDerWaalsContact O-N 3.11Å; L18-R21 PolarHBondContact O-N 2.82Å; L18-A22 VanDerWaalsContact O-CB 3.29Å; L18-A22 WeakPolarHBondContact O-CB 3.3Å; L18-A22 PolarHBondContact O-N 3.08Å
19	M	90.8	Very high	84.2	Confident	63 Å²	63	84.2 Å²	84.2	31%	0.31	43%	0.431	S	S	.	.	H	α-helix	trans	-65	-40.6	-179.6	-68.3	-56.1	-63	0	0	111.7	I15 N16 R21 A22 T23 H62 Y63	I15-M19 HydrophobicContact CG2-CG 4.1Å; I15-M19 WeakPolarHBondContact O-CB 3.37Å; I15-M19 VanDerWaalsContact O-CG 3.3Å; I15-M19 WeakPolarHBondContact O-CG 3.29Å; I15-M19 PolarHBondContact O-N 3.36Å; N16-M19 PolarHBondContact O-N 2.91Å; M19-R21 VanDerWaalsContact C-N 3.32Å; M19-R21 PolarHBondContact O-N 3.01Å; M19-A22 PolarHBondContact O-N 3Å; M19-T23 HydrophobicContact CE-CG2 4.34Å; M19-T23 WeakPolarHBondContact O-CB 3.31Å; M19-T23 WeakPolarHBondContact O-CG2 3.49Å; M19-T23 PolarHBondContact O-N 3.26Å; M19-T23 PolarHBondContact O-OG1 3.21Å; M19-H62 CarbonylContact C-O 3.53Å; M19-H62 WeakPolarHBondContact CB-O 3.35Å; M19-Y63 HydrophobicContact CB-CD1 4.09Å; M19-Y63 HydrophobicContact CB-CE1 3.9Å; M19-Y63 HydrophobicContact CE-CD1 4.06Å; M19-Y63 HydrophobicContact CE-CE1 4.25Å; M19-Y63 HydrophobicContact CG-CD1 4.19Å; M19-Y63 HydrophobicContact CG-CE1 3.65Å
20	S	90.9	Very high	83.7	Confident	13 Å²	13	82 Å²	82	9%	0.091	41%	0.413	C	S	.	.	H	α-helix	trans	-61.3	-44.6	177.3	-164.3	0	0	0	0	110.6	N16 T23 K24 E61 H62	N16-S20 WeakPolarHBondContact O-CB 3.31Å; N16-S20 PolarHBondContact O-N 3.14Å; S20-T23 PolarHBondContact O-OG1 2.75Å; S20-K24 VanDerWaalsContact O-CB 3.29Å; S20-K24 WeakPolarHBondContact O-CB 3.31Å; S20-K24 WeakPolarHBondContact O-CD 3.07Å; S20-K24 WeakPolarHBondContact O-CG 3.11Å; S20-K24 PolarHBondContact O-N 3.3Å; S20-K24 PolarHBondContact OG-NZ 3.12Å; S20-E61 PolarHBondContact OG-O 2.76Å; S20-H62 VanDerWaalsContact CA-O 3.23Å; S20-H62 WeakPolarHBondContact CA-O 3.39Å; S20-H62 PolarHBondContact N-O 3.34Å
21	R	90.6	Very high	82.7	Confident	190 Å²	190	85.2 Å²	85.2	72%	0.717	43%	0.432	S	S	*	.	H	α-helix	trans	-65.8	-50.2	177.3	-70.9	169.9	61.7	-169.3	-1.5	111.7	N17 L18 M19 K24 S25	N17-R21 VanDerWaalsContact O-CG 3.28Å; N17-R21 WeakPolarHBondContact O-CG 3.43Å; N17-R21 PolarHBondContact O-N 2.9Å; N17-R21 VanDerWaalsContact O-N 3.15Å; L18-R21 PolarHBondContact O-N 2.82Å; M19-R21 VanDerWaalsContact C-N 3.32Å; M19-R21 PolarHBondContact O-N 3.01Å; R21-K24 PolarHBondContact O-N 3.4Å; R21-S25 WeakPolarHBondContact O-CB 3.34Å; R21-S25 PolarHBondContact O-N 3.41Å; R21-S25 PolarHBondContact O-OG 3.24Å; R21-S25 VanDerWaalsContact O-OG 3.06Å
22	A	88.3	Confident	81.7	Confident	27 Å²	27	86.2 Å²	86.2	22%	0.223	44%	0.435	C	S	.	.	H	α-helix	trans	-62.3	-49.4	-176.4	0	0	0	0	0	111.8	L18 M19 K24 S25 L26	L18-A22 VanDerWaalsContact O-CB 3.29Å; L18-A22 WeakPolarHBondContact O-CB 3.3Å; L18-A22 PolarHBondContact O-N 3.08Å; M19-A22 PolarHBondContact O-N 3Å; A22-K24 PolarHBondContact O-N 2.94Å; A22-S25 PolarHBondContact O-N 3.45Å; A22-S25 PolarHBondContact O-OG 2.98Å; A22-L26 HydrophobicContact CB-CD1 4.3Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 2.8Å
23	T	85.9	Confident	81.2	Confident	6 Å²	6	84.2 Å²	84.2	4%	0.037	43%	0.429	C	S	.	.	H	α-helix	trans	-64.1	-41.3	-179.4	55.7	0	0	0	0	112	M19 S20 S25 N27 S64	M19-T23 HydrophobicContact CE-CG2 4.34Å; M19-T23 WeakPolarHBondContact O-CB 3.31Å; M19-T23 WeakPolarHBondContact O-CG2 3.49Å; M19-T23 PolarHBondContact O-N 3.26Å; M19-T23 PolarHBondContact O-OG1 3.21Å; S20-T23 PolarHBondContact O-OG1 2.75Å; T23-S25 PolarHBondContact O-N 3.15Å; T23-N27 WeakPolarHBondContact O-CB 3.34Å; T23-N27 PolarHBondContact O-N 3Å; T23-S64 PolarHBondContact OG1-OG 2.73Å
24	K	84.4	Confident	81	Confident	138 Å²	138	84.3 Å²	84.3	60%	0.6	43%	0.43	S	S	*	.	H	α-helix	trans	-64.8	-37.5	175.1	-72.8	171.9	-178	161.6	0	112.9	S20 R21 A22	S20-K24 VanDerWaalsContact O-CB 3.29Å; S20-K24 WeakPolarHBondContact O-CB 3.31Å; S20-K24 WeakPolarHBondContact O-CD 3.07Å; S20-K24 WeakPolarHBondContact O-CG 3.11Å; S20-K24 PolarHBondContact O-N 3.3Å; S20-K24 PolarHBondContact OG-NZ 3.12Å; R21-K24 PolarHBondContact O-N 3.4Å; A22-K24 PolarHBondContact O-N 2.94Å
25	S	85.1	Confident	80.8	Confident	77 Å²	77	82.1 Å²	82.1	54%	0.538	42%	0.417	S	S	.	.	H	α-helix	trans	-79.8	-32.2	-179.8	62.6	0	0	0	0	113.8	R21 A22 T23	R21-S25 WeakPolarHBondContact O-CB 3.34Å; R21-S25 PolarHBondContact O-N 3.41Å; R21-S25 PolarHBondContact O-OG 3.24Å; R21-S25 VanDerWaalsContact O-OG 3.06Å; A22-S25 PolarHBondContact O-N 3.45Å; A22-S25 PolarHBondContact O-OG 2.98Å; T23-S25 PolarHBondContact O-N 3.15Å
26	L	82.4	Confident	80.7	Confident	74 Å²	74	81.2 Å²	81.2	39%	0.387	41%	0.412	S	S	.	.	H	α-helix	trans	-92.7	-30.1	-172.2	-68.1	172.3	0	0	0	113.2	A22 Y28 L37 I39	A22-L26 HydrophobicContact CB-CD1 4.3Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 2.8Å; L26-Y28 PolarHBondContact O-N 3.01Å; L26-L37 HydrophobicContact CB-CD2 3.9Å; L26-L37 HydrophobicContact CD2-CD2 4.1Å; L26-L37 WeakPolarHBondContact O-CD2 3.41Å; L26-I39 HydrophobicContact CB-CD1 3.68Å; L26-I39 HydrophobicContact CD1-CD1 4.13Å
27	N	71.9	Confident	80.6	Confident	69 Å²	69	81.6 Å²	81.6	37%	0.369	41%	0.414	S	S	.	.	S	Bend	trans	-78.1	77.2	-179.6	-157.8	24.1	0	0	0	109.5	T23 I39	T23-N27 WeakPolarHBondContact O-CB 3.34Å; T23-N27 PolarHBondContact O-N 3Å; N27-I39 PolarHBondContact OD1-N 2.9Å; N27-I39 PolarHBondContact OD1-O 3.09Å
28	Y	66.6	Low	80.5	Confident	125 Å²	125	79.4 Å²	79.4	49%	0.49	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-149	122.2	-165.2	-163.1	-118.5	0	0	0	110.2	L26 N30 L37	L26-Y28 PolarHBondContact O-N 3.01Å; Y28-N30 HydrophobicContact CD1-CB 3.6Å; Y28-N30 HydrophobicContact CE1-CB 3.37Å; Y28-N30 PolarHBondContact O-N 3.35Å; Y28-L37 PolarHBondContact N-O 3.42Å
29	S	61.4	Low	80.5	Confident	68 Å²	68	75.7 Å²	75.7	48%	0.476	38%	0.381	S	S	.	.			trans	-92.4	84.1	167.2	61.5	0	0	0	0	108.7	T31	S29-T31 PolarHBondContact O-N 3.17Å
30	N	59.8	Low	80.4	Confident	25 Å²	25	73.1 Å²	73.1	13%	0.134	37%	0.37	C	S	.	.			trans	-90.4	96	166.8	-153.8	-5.1	0	0	0	110	Y28 R32 D33 Y35	Y28-N30 HydrophobicContact CD1-CB 3.6Å; Y28-N30 HydrophobicContact CE1-CB 3.37Å; Y28-N30 PolarHBondContact O-N 3.35Å; N30-R32 PolarHBondContact O-N 3.33Å; N30-R32 WeakPolarHBondContact OD1-CB 3.28Å; N30-R32 WeakPolarHBondContact OD1-CG 3.23Å; N30-R32 PolarHBondContact OD1-N 3.41Å; N30-R32 VanDerWaalsContact OD1-N 3.12Å; N30-D33 HydrophobicContact CB-CB 4.22Å; N30-D33 WeakPolarHBondContact CB-OD2 3.36Å; N30-D33 PolarHBondContact ND2-OD1 3.45Å; N30-D33 PolarHBondContact ND2-OD2 3.15Å; N30-D33 PolarHBondContact O-N 2.94Å; N30-D33 VanDerWaalsContact O-N 3.11Å; N30-Y35 VanDerWaalsContact O-O 3.08Å
31	T	59.8	Low	80.6	Confident	136 Å²	136	73.8 Å²	73.8	83%	0.834	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.5	169.1	54.1	0	0	0	0	112.4	S29	S29-T31 PolarHBondContact O-N 3.17Å
32	R	65.1	Low	80.8	Confident	223 Å²	223	67.2 Å²	67.2	84%	0.842	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-30.9	175.5	-56.8	-177.3	177.8	-171.6	0.2	114	N30 G34	N30-R32 PolarHBondContact O-N 3.33Å; N30-R32 WeakPolarHBondContact OD1-CB 3.28Å; N30-R32 WeakPolarHBondContact OD1-CG 3.23Å; N30-R32 PolarHBondContact OD1-N 3.41Å; N30-R32 VanDerWaalsContact OD1-N 3.12Å; R32-G34 VanDerWaalsContact C-N 3.31Å
33	D	74.1	Confident	81.3	Confident	96 Å²	96	66.3 Å²	66.3	51%	0.513	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.9	-175.2	-61.8	-29.7	0	0	0	112.8	N30 Y35	N30-D33 HydrophobicContact CB-CB 4.22Å; N30-D33 WeakPolarHBondContact CB-OD2 3.36Å; N30-D33 PolarHBondContact ND2-OD1 3.45Å; N30-D33 PolarHBondContact ND2-OD2 3.15Å; N30-D33 PolarHBondContact O-N 2.94Å; N30-D33 VanDerWaalsContact O-N 3.11Å; D33-Y35 VanDerWaalsContact C-N 3.26Å; D33-Y35 HydrophobicContact CB-CD1 3.69Å; D33-Y35 HydrophobicContact CB-CE1 3.49Å; D33-Y35 VanDerWaalsContact CB-CE1 3.49Å; D33-Y35 PolarHBondContact O-N 2.88Å
34	G	84.2	Confident	81.9	Confident	45 Å²	45	66 Å²	66	46%	0.464	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.5	14.8	178.6	0	0	0	0	0	114.3	R32	R32-G34 VanDerWaalsContact C-N 3.31Å
35	Y	86.9	Confident	82.5	Confident	70 Å²	70	59.5 Å²	59.5	28%	0.275	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	161.3	173.6	76.7	-87.1	0	0	0	113.1	N30 D33 L37 F117 K118	N30-Y35 VanDerWaalsContact O-O 3.08Å; D33-Y35 VanDerWaalsContact C-N 3.26Å; D33-Y35 HydrophobicContact CB-CD1 3.69Å; D33-Y35 HydrophobicContact CB-CE1 3.49Å; D33-Y35 VanDerWaalsContact CB-CE1 3.49Å; D33-Y35 PolarHBondContact O-N 2.88Å; Y35-L37 HydrophobicContact CD2-CB 4.13Å; Y35-L37 HydrophobicContact CE2-CB 4.01Å; Y35-F117 HydrophobicContact CD2-CE2 4.01Å; Y35-F117 HydrophobicContact CG-CE2 4.31Å; Y35-K118 CarbonylContact C-O 3.46Å; Y35-K118 VanDerWaalsContact CA-O 3.22Å; Y35-K118 WeakPolarHBondContact CA-O 3.36Å
36	E	90.1	Very high	83.1	Confident	40 Å²	40	57 Å²	57	19%	0.187	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.5	173.7	175.2	168.1	-138.8	0	0	108.7	H38 K91 Y116 F117 K118	E36-H38 VanDerWaalsContact CD-NE2 3.32Å; E36-H38 VanDerWaalsContact CG-CD2 3.41Å; E36-H38 WeakPolarHBondContact CG-CD2 3.29Å; E36-H38 VanDerWaalsContact CG-NE2 3.32Å; E36-H38 WeakPolarHBondContact CG-NE2 3.48Å; E36-H38 IonicContact OE1-CD2 2.72Å; E36-H38 IonicContact OE1-CE1 3.28Å; E36-H38 IonicContact OE1-NE2 3.53Å; E36-H38 PolarHBondContact OE1-NE2 2.82Å; E36-K91 VanDerWaalsContact OE1-CE 3.31Å; E36-K91 WeakPolarHBondContact OE1-CE 3.4Å; E36-K91 IonicContact OE1-NZ 2.73Å; E36-K91 PolarHBondContact OE1-NZ 2.84Å; E36-K91 IonicContact OE2-NZ 3.95Å; E36-K91 PolarHBondContact OE2-NZ 3.39Å; E36-Y116 HydrophobicContact CB-CE1 4.5Å; E36-Y116 HydrophobicContact CG-CD1 4.31Å; E36-Y116 HydrophobicContact CG-CE1 3.93Å; E36-Y116 WeakPolarHBondContact OE2-CE1 3.09Å; E36-F117 CarbonylContact O-C 3.59Å; E36-F117 WeakPolarHBondContact O-CA 3.43Å; E36-K118 HydrophobicContact CB-CB 4.45Å; E36-K118 PolarHBondContact N-O 3.45Å; E36-K118 PolarHBondContact O-N 2.72Å
37	L	91	Very high	83.8	Confident	22 Å²	22	57.7 Å²	57.7	12%	0.115	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	120.7	177.4	-179.7	61.7	0	0	0	109.1	L26 Y28 Y35 I39 I115 Y116 F117	L26-L37 HydrophobicContact CB-CD2 3.9Å; L26-L37 HydrophobicContact CD2-CD2 4.1Å; L26-L37 WeakPolarHBondContact O-CD2 3.41Å; Y28-L37 PolarHBondContact N-O 3.42Å; Y35-L37 HydrophobicContact CD2-CB 4.13Å; Y35-L37 HydrophobicContact CE2-CB 4.01Å; L37-I39 HydrophobicContact CD1-CG1 4.41Å; L37-I39 HydrophobicContact CD2-CD1 4.48Å; L37-I39 HydrophobicContact CG-CG1 4.31Å; L37-I115 HydrophobicContact CD1-CG2 3.57Å; L37-Y116 WeakPolarHBondContact CA-O 3.33Å; L37-F117 HydrophobicContact CB-CD2 4.35Å; L37-F117 HydrophobicContact CD1-CB 4.14Å; L37-F117 HydrophobicContact CD1-CD2 4.07Å
38	H	89.7	Confident	84.8	Confident	53 Å²	53	63.7 Å²	63.7	25%	0.245	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.4	172.3	-66.7	-95	0	0	0	108.7	E36 I115 Y116	E36-H38 VanDerWaalsContact CD-NE2 3.32Å; E36-H38 VanDerWaalsContact CG-CD2 3.41Å; E36-H38 WeakPolarHBondContact CG-CD2 3.29Å; E36-H38 VanDerWaalsContact CG-NE2 3.32Å; E36-H38 WeakPolarHBondContact CG-NE2 3.48Å; E36-H38 IonicContact OE1-CD2 2.72Å; E36-H38 IonicContact OE1-CE1 3.28Å; E36-H38 IonicContact OE1-NE2 3.53Å; E36-H38 PolarHBondContact OE1-NE2 2.82Å; H38-I115 WeakPolarHBondContact O-CA 3.45Å; H38-Y116 AromaticContact CD2-CD1 3.85Å; H38-Y116 PolarHBondContact N-O 3.11Å; H38-Y116 PolarHBondContact O-N 3.41Å
39	I	90.7	Very high	86.2	Confident	29 Å²	29	60.4 Å²	60.4	15%	0.149	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.7	173.9	-58.7	173.8	0	0	0	107	L26 N27 L37 I115	L26-I39 HydrophobicContact CB-CD1 3.68Å; L26-I39 HydrophobicContact CD1-CD1 4.13Å; N27-I39 PolarHBondContact OD1-N 2.9Å; N27-I39 PolarHBondContact OD1-O 3.09Å; L37-I39 HydrophobicContact CD1-CG1 4.41Å; L37-I39 HydrophobicContact CD2-CD1 4.48Å; L37-I39 HydrophobicContact CG-CG1 4.31Å; I39-I115 HydrophobicContact CG1-CG1 4.44Å
40	A	90.5	Very high	87.8	Confident	10 Å²	10	66.2 Å²	66.2	8%	0.083	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	112.4	-178.6	0	0	0	0	0	110	W85 K89 A114	A40-W85 HydrophobicContact CB-CH2 3.73Å; A40-W85 HydrophobicContact CB-CZ2 4.36Å; A40-W85 HydrophobicContact CB-CZ3 4.31Å; A40-K89 HydrophobicContact CB-CB 3.63Å; A40-K89 HydrophobicContact CB-CD 4.04Å; A40-K89 HydrophobicContact CB-CG 3.83Å; A40-A114 PolarHBondContact N-O 2.95Å; A40-A114 PolarHBondContact O-N 2.86Å
41	N	93.6	Very high	89.4	Confident	27 Å²	27	67 Å²	67	14%	0.144	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134	173.9	-62.3	-52.9	0	0	0	108.9	Y63 A65 I112 N113	N41-Y63 PolarHBondContact ND2-O 3.28Å; N41-A65 HydrophobicContact CB-CB 3.6Å; N41-I112 WeakPolarHBondContact CA-O 3.3Å; N41-N113 PolarHBondContact OD1-ND2 3.21Å
42	R	96.1	Very high	91.1	Very high	51 Å²	51	66.3 Å²	66.3	19%	0.192	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.9	170.5	179.4	162.8	-75.6	-152.7	-5.8	110.6	F44 D66 E68 W85 I112	R42-F44 HydrophobicContact CB-CE2 4.02Å; R42-F44 HydrophobicContact CB-CZ 4.28Å; R42-F44 HydrophobicContact CG-CD1 4.44Å; R42-F44 HydrophobicContact CG-CD2 4.14Å; R42-F44 HydrophobicContact CG-CE1 4.05Å; R42-F44 HydrophobicContact CG-CE2 3.69Å; R42-F44 HydrophobicContact CG-CZ 3.67Å; R42-D66 IonicContact NH2-OD2 2.65Å; R42-E68 IonicContact CZ-OE2 3.69Å; R42-E68 IonicContact NH1-OE2 2.58Å; R42-E68 PolarHBondContact NH1-OE2 3.41Å; R42-W85 HydrophobicContact CB-CH2 3.44Å; R42-W85 VanDerWaalsContact CB-CH2 3.44Å; R42-W85 HydrophobicContact CB-CZ2 3.42Å; R42-W85 VanDerWaalsContact CB-CZ2 3.42Å; R42-W85 HydrophobicContact CB-CZ3 4.08Å; R42-W85 HydrophobicContact CG-CZ2 4.27Å; R42-I112 PolarHBondContact N-O 2.93Å; R42-I112 PolarHBondContact O-N 2.81Å
43	L	97.5	Very high	92.5	Very high	9 Å²	9	60 Å²	60	5%	0.047	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137.8	168.5	-72.7	74.2	0	0	0	108.6	F55 I59 A65 D66 M67 E68 L109 V110 L111	L43-F55 HydrophobicContact CD2-CE1 3.66Å; L43-F55 HydrophobicContact CD2-CZ 3.87Å; L43-I59 HydrophobicContact CD1-CD1 4.07Å; L43-I59 HydrophobicContact CD2-CD1 4.26Å; L43-A65 HydrophobicContact CD1-CB 4.42Å; L43-D66 PolarHBondContact N-O 3.3Å; L43-M67 HydrophobicContact CB-CB 4.28Å; L43-M67 HydrophobicContact CB-CE 3.86Å; L43-M67 HydrophobicContact CB-CG 4.11Å; L43-M67 HydrophobicContact CD2-CE 3.63Å; L43-M67 HydrophobicContact CG-CE 4.41Å; L43-M67 CarbonylContact O-C 3.58Å; L43-M67 VanDerWaalsContact O-CA 3.3Å; L43-M67 WeakPolarHBondContact O-CA 3.35Å; L43-E68 PolarHBondContact O-N 2.94Å; L43-L109 HydrophobicContact CB-CD1 4.3Å; L43-L109 HydrophobicContact CD2-CD1 4.34Å; L43-L109 HydrophobicContact CD2-CD2 4.36Å; L43-V110 WeakPolarHBondContact CA-O 3.22Å; L43-L111 HydrophobicContact CD1-CD1 3.65Å; L43-L111 HydrophobicContact CG-CD1 3.82Å
44	F	98.1	Very high	93.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.4	170.9	-61.5	-86.6	0	0	0	108.4	R42 E68 L70 F72 H81 I82 W85 L109 V110 I112	R42-F44 HydrophobicContact CB-CE2 4.02Å; R42-F44 HydrophobicContact CB-CZ 4.28Å; R42-F44 HydrophobicContact CG-CD1 4.44Å; R42-F44 HydrophobicContact CG-CD2 4.14Å; R42-F44 HydrophobicContact CG-CE1 4.05Å; R42-F44 HydrophobicContact CG-CE2 3.69Å; R42-F44 HydrophobicContact CG-CZ 3.67Å; F44-E68 CarbonylContact C-O 3.52Å; F44-E68 VanDerWaalsContact CA-O 3.26Å; F44-E68 WeakPolarHBondContact CA-O 3.39Å; F44-E68 HydrophobicContact CD1-CB 3.94Å; F44-E68 HydrophobicContact CD1-CG 4.39Å; F44-E68 HydrophobicContact CE1-CB 4.16Å; F44-E68 WeakPolarHBondContact CE1-OE2 3.42Å; F44-L70 HydrophobicContact CB-CD1 4.14Å; F44-L70 HydrophobicContact CD1-CD1 3.5Å; F44-L70 VanDerWaalsContact CD1-CD1 3.5Å; F44-L70 HydrophobicContact CD1-CG 4.01Å; F44-L70 HydrophobicContact CE1-CD1 4.18Å; F44-L70 HydrophobicContact CG-CD1 4.09Å; F44-F72 HydrophobicContact CB-CE1 4.43Å; F44-F72 HydrophobicContact CB-CZ 3.94Å; F44-F72 WeakPolarHBondContact O-CZ 3.15Å; F44-H81 AromaticContact CE1-CD2 3.88Å; F44-I82 HydrophobicContact CB-CD1 4.04Å; F44-I82 HydrophobicContact CB-CG1 4.44Å; F44-I82 HydrophobicContact CD1-CG1 4.06Å; F44-I82 HydrophobicContact CD2-CD1 3.87Å; F44-I82 HydrophobicContact CD2-CG1 3.7Å; F44-I82 HydrophobicContact CE1-CG1 4.13Å; F44-I82 HydrophobicContact CE2-CB 4.43Å; F44-I82 HydrophobicContact CE2-CD1 4.44Å; F44-I82 HydrophobicContact CE2-CG1 3.8Å; F44-I82 HydrophobicContact CE2-CG2 4.19Å; F44-I82 HydrophobicContact CG-CD1 3.91Å; F44-I82 HydrophobicContact CG-CG1 3.81Å; F44-I82 HydrophobicContact CZ-CG1 4Å; F44-W85 HydrophobicContact CE2-CE3 4.41Å; F44-W85 HydrophobicContact CZ-CB 4.27Å; F44-W85 HydrophobicContact CZ-CD2 4.07Å; F44-W85 HydrophobicContact CZ-CE3 4.29Å; F44-W85 HydrophobicContact CZ-CG 4.05Å; F44-L109 CarbonylContact O-C 3.49Å; F44-L109 WeakPolarHBondContact O-CA 3.38Å; F44-V110 HydrophobicContact CB-CB 4.37Å; F44-V110 PolarHBondContact N-O 3.45Å; F44-V110 PolarHBondContact O-N 3.23Å; F44-I112 HydrophobicContact CD2-CG1 3.89Å; F44-I112 HydrophobicContact CE2-CB 4.29Å; F44-I112 HydrophobicContact CE2-CG1 3.86Å
45	G	97.7	Very high	94	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	154.5	178	0	0	0	0	0	111.8	E68 L69 L70 S108	G45-E68 PolarHBondContact N-O 3.19Å; G45-L69 CarbonylContact O-C 3.54Å; G45-L69 VanDerWaalsContact O-CA 3.29Å; G45-L69 WeakPolarHBondContact O-CA 3.41Å; G45-L70 PolarHBondContact O-N 3.03Å; G45-S108 WeakPolarHBondContact CA-O 3.26Å
46	Q	98	Very high	94.4	Very high	26 Å²	26	62.1 Å²	62.1	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	145.7	167.5	172.8	59.2	-58.6	0	0	110.4	K48 L49 L70 F72 S108	Q46-K48 PolarHBondContact O-N 3.28Å; Q46-L49 WeakPolarHBondContact O-CB 3.3Å; Q46-L49 PolarHBondContact O-N 2.82Å; Q46-L70 CarbonylContact C-O 3.54Å; Q46-L70 WeakPolarHBondContact CA-O 3.46Å; Q46-L70 PolarHBondContact OE1-O 3.03Å; Q46-F72 HydrophobicContact CB-CD2 3.78Å; Q46-F72 HydrophobicContact CB-CE2 4.38Å; Q46-F72 HydrophobicContact CB-CG 4.38Å; Q46-S108 PolarHBondContact N-O 2.91Å
47	L	97.3	Very high	94.6	Very high	87 Å²	87	65 Å²	65	46%	0.455	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	137.8	172.6	-77.2	-174.8	0	0	0	111.1	L49 L69 L70 D71	L47-L49 PolarHBondContact O-N 2.93Å; L47-L69 HydrophobicContact CD2-CB 4.14Å; L47-L70 PolarHBondContact N-O 3.47Å; L47-D71 HydrophobicContact CD1-CB 3.71Å; L47-D71 HydrophobicContact CG-CB 4.11Å
48	K	93.2	Very high	94.7	Very high	195 Å²	195	65.1 Å²	65.1	85%	0.848	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	8.3	-177.8	-47.7	177.6	179.9	-178.8	0	114.7	Q46 Q50	Q46-K48 PolarHBondContact O-N 3.28Å; K48-Q50 PolarHBondContact O-N 3.06Å; K48-Q50 VanDerWaalsContact O-N 3.15Å
49	L	95.3	Very high	94.9	Very high	56 Å²	56	63.1 Å²	63.1	29%	0.293	31%	0.314	S	S	.	.			trans	-56.7	120.3	166.1	-176.3	72.7	0	0	0	108.5	Q46 L47 V51 L69 L109	Q46-L49 WeakPolarHBondContact O-CB 3.3Å; Q46-L49 PolarHBondContact O-N 2.82Å; L47-L49 PolarHBondContact O-N 2.93Å; L49-V51 HydrophobicContact CD2-CG2 3.66Å; L49-V51 HydrophobicContact CG-CG2 3.78Å; L49-L69 HydrophobicContact CB-CD2 4.35Å; L49-L109 HydrophobicContact CD2-CD1 4.13Å
50	Q	94.9	Very high	95.1	Very high	190 Å²	190	66.2 Å²	66.2	89%	0.888	33%	0.327	S	S	*	.			trans	-84	117.5	174.2	-65.5	-177.1	19.2	0	0	108.3	K48	K48-Q50 PolarHBondContact O-N 3.06Å; K48-Q50 VanDerWaalsContact O-N 3.15Å
51	V	93.1	Very high	95.2	Very high	42 Å²	42	70.1 Å²	70.1	26%	0.255	34%	0.344	S	S	.	.			trans	-117.2	134.8	179.1	-174.7	0	0	0	0	108.4	L49 F55 I56 M67	L49-V51 HydrophobicContact CD2-CG2 3.66Å; L49-V51 HydrophobicContact CG-CG2 3.78Å; V51-F55 HydrophobicContact CG1-CB 4.28Å; V51-F55 HydrophobicContact CG1-CD1 3.5Å; V51-F55 HydrophobicContact CG1-CE1 4.28Å; V51-F55 HydrophobicContact CG1-CG 4.27Å; V51-I56 HydrophobicContact CB-CD1 4.13Å; V51-I56 HydrophobicContact CB-CG1 4.36Å; V51-I56 HydrophobicContact CG1-CD1 3.6Å; V51-I56 HydrophobicContact CG1-CG1 3.9Å; V51-M67 HydrophobicContact CB-CE 4.49Å; V51-M67 HydrophobicContact CB-SD 4.2Å; V51-M67 HydrophobicContact CG1-CE 3.96Å; V51-M67 HydrophobicContact CG1-SD 4.27Å; V51-M67 HydrophobicContact CG2-CE 4.01Å; V51-M67 HydrophobicContact CG2-SD 3.6Å
52	L	95.4	Very high	95.1	Very high	121 Å²	121	70.6 Å²	70.6	63%	0.634	35%	0.345	S	S	*	.			trans	-59.5	130.4	-179.9	-65.5	176.1	0	0	0	109.8	E54 F55 I56	L52-E54 PolarHBondContact O-N 3.22Å; L52-F55 HydrophobicContact CB-CB 4.19Å; L52-F55 WeakPolarHBondContact O-CB 3.29Å; L52-F55 PolarHBondContact O-N 3.2Å; L52-I56 PolarHBondContact O-N 3.06Å; L52-I56 VanDerWaalsContact O-N 3.16Å
53	P	95.7	Very high	94.9	Very high	92 Å²	92	71 Å²	71	60%	0.597	35%	0.347	S	S	*	.	H	α-helix	trans	-53.4	-37.2	176.6	-27.7	35.8	0	0	0	112.9	F55 I56 Q57	P53-F55 VanDerWaalsContact C-N 3.28Å; P53-F55 PolarHBondContact O-N 3.47Å; P53-I56 PolarHBondContact O-N 3.47Å; P53-Q57 WeakPolarHBondContact O-CB 3.37Å; P53-Q57 PolarHBondContact O-N 3.04Å
54	E	95.5	Very high	94.5	Very high	125 Å²	125	73.2 Å²	73.2	58%	0.584	36%	0.363	S	S	*	.	H	α-helix	trans	-64.4	-34.4	178.5	-58.7	75.6	-165.6	0	0	111.8	L52 C58	L52-E54 PolarHBondContact O-N 3.22Å; E54-C58 VanDerWaalsContact O-CB 3.29Å; E54-C58 WeakPolarHBondContact O-CB 3.23Å; E54-C58 PolarHBondContact O-N 3.26Å
55	F	93.8	Very high	94.3	Very high	89 Å²	89	73.3 Å²	73.3	39%	0.39	36%	0.364	S	S	.	.	H	α-helix	trans	-70.1	-43.2	175.3	-179.9	-95.8	0	0	0	111.2	L43 V51 L52 P53 Q57 C58 I59 M67	L43-F55 HydrophobicContact CD2-CE1 3.66Å; L43-F55 HydrophobicContact CD2-CZ 3.87Å; V51-F55 HydrophobicContact CG1-CB 4.28Å; V51-F55 HydrophobicContact CG1-CD1 3.5Å; V51-F55 HydrophobicContact CG1-CE1 4.28Å; V51-F55 HydrophobicContact CG1-CG 4.27Å; L52-F55 HydrophobicContact CB-CB 4.19Å; L52-F55 WeakPolarHBondContact O-CB 3.29Å; L52-F55 PolarHBondContact O-N 3.2Å; P53-F55 VanDerWaalsContact C-N 3.28Å; P53-F55 PolarHBondContact O-N 3.47Å; F55-Q57 VanDerWaalsContact C-N 3.33Å; F55-Q57 PolarHBondContact O-N 2.89Å; F55-C58 WeakPolarHBondContact O-CB 3.18Å; F55-C58 PolarHBondContact O-N 2.95Å; F55-I59 HydrophobicContact CD1-CG2 4.47Å; F55-I59 HydrophobicContact CE1-CD1 4.43Å; F55-I59 HydrophobicContact CE1-CG2 4.01Å; F55-I59 HydrophobicContact CE2-CG2 4.32Å; F55-I59 HydrophobicContact CZ-CG2 3.93Å; F55-I59 PolarHBondContact O-N 3.21Å; F55-M67 HydrophobicContact CD1-CE 4.42Å; F55-M67 HydrophobicContact CE1-CE 3.98Å
56	I	94.7	Very high	94	Very high	41 Å²	41	76.7 Å²	76.7	21%	0.21	38%	0.382	C	S	.	.	H	α-helix	trans	-60.3	-45.4	175	-61.3	-59.5	0	0	0	110.6	V51 L52 P53 C58 I59 Q60 M67	V51-I56 HydrophobicContact CB-CD1 4.13Å; V51-I56 HydrophobicContact CB-CG1 4.36Å; V51-I56 HydrophobicContact CG1-CD1 3.6Å; V51-I56 HydrophobicContact CG1-CG1 3.9Å; L52-I56 PolarHBondContact O-N 3.06Å; L52-I56 VanDerWaalsContact O-N 3.16Å; P53-I56 PolarHBondContact O-N 3.47Å; I56-C58 VanDerWaalsContact C-N 3.35Å; I56-C58 PolarHBondContact O-N 2.86Å; I56-I59 HydrophobicContact CD1-CD1 4.17Å; I56-I59 WeakPolarHBondContact O-CG1 3.47Å; I56-I59 PolarHBondContact O-N 2.79Å; I56-Q60 WeakPolarHBondContact O-CB 3.35Å; I56-Q60 VanDerWaalsContact O-CG 3.31Å; I56-Q60 WeakPolarHBondContact O-CG 3.2Å; I56-Q60 PolarHBondContact O-N 3.32Å; I56-Q60 VanDerWaalsContact O-N 3.12Å; I56-M67 HydrophobicContact CD1-CB 3.8Å; I56-M67 HydrophobicContact CD1-CE 3.88Å; I56-M67 HydrophobicContact CD1-CG 4.41Å; I56-M67 HydrophobicContact CD1-SD 3.78Å
57	Q	94.9	Very high	93.9	Very high	100 Å²	100	77.3 Å²	77.3	47%	0.467	39%	0.386	S	S	.	.	H	α-helix	trans	-59.7	-45.6	176	-175.3	178.1	-1.3	0	0	111.4	P53 F55 I59 Q60 E61	P53-Q57 WeakPolarHBondContact O-CB 3.37Å; P53-Q57 PolarHBondContact O-N 3.04Å; F55-Q57 VanDerWaalsContact C-N 3.33Å; F55-Q57 PolarHBondContact O-N 2.89Å; Q57-I59 PolarHBondContact O-N 3.09Å; Q57-Q60 PolarHBondContact O-N 2.86Å; Q57-E61 HydrophobicContact CG-CG 4.18Å; Q57-E61 VanDerWaalsContact CG-OE1 3.23Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.17Å; Q57-E61 PolarHBondContact NE2-OE1 3.06Å; Q57-E61 WeakPolarHBondContact O-CB 3.42Å; Q57-E61 WeakPolarHBondContact O-CG 3.16Å; Q57-E61 PolarHBondContact O-N 3.02Å
58	C	93.9	Very high	93.9	Very high	25 Å²	25	75.6 Å²	75.6	17%	0.169	38%	0.375	C	S	.	.	H	α-helix	trans	-58.4	-48	178.6	179.6	0	0	0	0	112.5	E54 F55 I56 Q60 H62	E54-C58 VanDerWaalsContact O-CB 3.29Å; E54-C58 WeakPolarHBondContact O-CB 3.23Å; E54-C58 PolarHBondContact O-N 3.26Å; F55-C58 WeakPolarHBondContact O-CB 3.18Å; F55-C58 PolarHBondContact O-N 2.95Å; I56-C58 VanDerWaalsContact C-N 3.35Å; I56-C58 PolarHBondContact O-N 2.86Å; C58-Q60 VanDerWaalsContact C-N 3.32Å; C58-Q60 PolarHBondContact O-N 3.37Å; C58-H62 WeakPolarHBondContact O-CB 3.29Å; C58-H62 PolarHBondContact O-N 2.87Å
59	I	93.7	Very high	94.1	Very high	11 Å²	11	70 Å²	70	6%	0.056	35%	0.354	C	S	.	.	H	α-helix	trans	-66.2	-34.4	180	63.1	172.4	0	0	0	112.3	L43 F55 I56 Q57 Y63 S64 A65 M67	L43-I59 HydrophobicContact CD1-CD1 4.07Å; L43-I59 HydrophobicContact CD2-CD1 4.26Å; F55-I59 HydrophobicContact CD1-CG2 4.47Å; F55-I59 HydrophobicContact CE1-CD1 4.43Å; F55-I59 HydrophobicContact CE1-CG2 4.01Å; F55-I59 HydrophobicContact CE2-CG2 4.32Å; F55-I59 HydrophobicContact CZ-CG2 3.93Å; F55-I59 PolarHBondContact O-N 3.21Å; I56-I59 HydrophobicContact CD1-CD1 4.17Å; I56-I59 WeakPolarHBondContact O-CG1 3.47Å; I56-I59 PolarHBondContact O-N 2.79Å; Q57-I59 PolarHBondContact O-N 3.09Å; I59-Y63 CarbonylContact O-C 3.4Å; I59-Y63 WeakPolarHBondContact O-CA 3.46Å; I59-Y63 WeakPolarHBondContact O-CB 3.4Å; I59-Y63 PolarHBondContact O-N 2.8Å; I59-Y63 VanDerWaalsContact O-N 3.09Å; I59-S64 PolarHBondContact O-N 2.86Å; I59-A65 CarbonylContact C-O 3.02Å; I59-A65 HydrophobicContact CB-CB 4.35Å; I59-A65 PolarHBondContact O-N 2.85Å; I59-M67 HydrophobicContact CD1-CB 4.2Å
60	Q	93.6	Very high	94.3	Very high	93 Å²	93	68.3 Å²	68.3	44%	0.435	35%	0.345	S	S	.	.	H	α-helix	trans	-71.2	-47.4	177.9	-72.4	179.1	-35.4	0	0	111.8	I56 Q57 C58 A65 D66	I56-Q60 WeakPolarHBondContact O-CB 3.35Å; I56-Q60 VanDerWaalsContact O-CG 3.31Å; I56-Q60 WeakPolarHBondContact O-CG 3.2Å; I56-Q60 PolarHBondContact O-N 3.32Å; I56-Q60 VanDerWaalsContact O-N 3.12Å; Q57-Q60 PolarHBondContact O-N 2.86Å; C58-Q60 VanDerWaalsContact C-N 3.32Å; C58-Q60 PolarHBondContact O-N 3.37Å; Q60-A65 VanDerWaalsContact CA-O 3.31Å; Q60-A65 WeakPolarHBondContact CA-O 3.37Å; Q60-A65 VanDerWaalsContact CG-O 3.29Å; Q60-A65 WeakPolarHBondContact CG-O 3.35Å; Q60-A65 PolarHBondContact N-O 3.21Å; Q60-D66 PolarHBondContact NE2-OD1 3.43Å
61	E	92.5	Very high	94.4	Very high	92 Å²	92	61.7 Å²	61.7	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-74.6	-35.7	-175	-70.9	-178	-179.2	0	0	113.6	S20 Q57	S20-E61 PolarHBondContact OG-O 2.76Å; Q57-E61 HydrophobicContact CG-CG 4.18Å; Q57-E61 VanDerWaalsContact CG-OE1 3.23Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.17Å; Q57-E61 PolarHBondContact NE2-OE1 3.06Å; Q57-E61 WeakPolarHBondContact O-CB 3.42Å; Q57-E61 WeakPolarHBondContact O-CG 3.16Å; Q57-E61 PolarHBondContact O-N 3.02Å
62	H	92.2	Very high	94.6	Very high	37 Å²	37	59.7 Å²	59.7	17%	0.171	30%	0.304	C	S	.	.	H	α-helix	trans	-109.5	-22.4	-169.6	-57	-53.2	0	0	0	114.4	N16 M19 S20 C58	N16-H62 HydrophobicContact CB-CB 4.04Å; M19-H62 CarbonylContact C-O 3.53Å; M19-H62 WeakPolarHBondContact CB-O 3.35Å; S20-H62 VanDerWaalsContact CA-O 3.23Å; S20-H62 WeakPolarHBondContact CA-O 3.39Å; S20-H62 PolarHBondContact N-O 3.34Å; C58-H62 WeakPolarHBondContact O-CB 3.29Å; C58-H62 PolarHBondContact O-N 2.87Å
63	Y	91.7	Very high	94.7	Very high	61 Å²	61	61.3 Å²	61.3	24%	0.239	31%	0.306	C	S	.	.	H	α-helix	trans	-118	0.3	-174.1	-62.1	-96.2	0	0	0	113.4	N16 M19 N41 I59 A65	N16-Y63 WeakPolarHBondContact OD1-CE2 3.42Å; N16-Y63 PolarHBondContact OD1-OH 3.28Å; M19-Y63 HydrophobicContact CB-CD1 4.09Å; M19-Y63 HydrophobicContact CB-CE1 3.9Å; M19-Y63 HydrophobicContact CE-CD1 4.06Å; M19-Y63 HydrophobicContact CE-CE1 4.25Å; M19-Y63 HydrophobicContact CG-CD1 4.19Å; M19-Y63 HydrophobicContact CG-CE1 3.65Å; N41-Y63 PolarHBondContact ND2-O 3.28Å; I59-Y63 CarbonylContact O-C 3.4Å; I59-Y63 WeakPolarHBondContact O-CA 3.46Å; I59-Y63 WeakPolarHBondContact O-CB 3.4Å; I59-Y63 PolarHBondContact O-N 2.8Å; I59-Y63 VanDerWaalsContact O-N 3.09Å; Y63-A65 PolarHBondContact O-N 2.95Å
64	S	89.9	Confident	94.8	Very high	54 Å²	54	62.3 Å²	62.3	38%	0.378	30%	0.301	S	S	.	.	S	Bend	trans	49.6	39.6	-173.7	-56.9	0	0	0	0	111.2	T23 I59	T23-S64 PolarHBondContact OG1-OG 2.73Å; I59-S64 PolarHBondContact O-N 2.86Å
65	A	93.4	Very high	94.9	Very high	3 Å²	3	57 Å²	57	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.8	-173.6	0	0	0	0	0	110.1	N41 L43 I59 Q60 Y63	N41-A65 HydrophobicContact CB-CB 3.6Å; L43-A65 HydrophobicContact CD1-CB 4.42Å; I59-A65 CarbonylContact C-O 3.02Å; I59-A65 HydrophobicContact CB-CB 4.35Å; I59-A65 PolarHBondContact O-N 2.85Å; Q60-A65 VanDerWaalsContact CA-O 3.31Å; Q60-A65 WeakPolarHBondContact CA-O 3.37Å; Q60-A65 VanDerWaalsContact CG-O 3.29Å; Q60-A65 WeakPolarHBondContact CG-O 3.35Å; Q60-A65 PolarHBondContact N-O 3.21Å; Y63-A65 PolarHBondContact O-N 2.95Å
66	D	92.1	Very high	95.1	Very high	71 Å²	71	57.5 Å²	57.5	38%	0.38	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	167.8	170.7	-68.6	-50.3	0	0	0	110.4	R42 L43 Q60	R42-D66 IonicContact NH2-OD2 2.65Å; L43-D66 PolarHBondContact N-O 3.3Å; Q60-D66 PolarHBondContact NE2-OD1 3.43Å
67	M	95.8	Very high	95.3	Very high	39 Å²	39	60.7 Å²	60.7	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.2	168.3	-172.5	175.4	-71.3	0	0	111	L43 V51 F55 I56 I59 L69 L109	L43-M67 HydrophobicContact CB-CB 4.28Å; L43-M67 HydrophobicContact CB-CE 3.86Å; L43-M67 HydrophobicContact CB-CG 4.11Å; L43-M67 HydrophobicContact CD2-CE 3.63Å; L43-M67 HydrophobicContact CG-CE 4.41Å; L43-M67 CarbonylContact O-C 3.58Å; L43-M67 VanDerWaalsContact O-CA 3.3Å; L43-M67 WeakPolarHBondContact O-CA 3.35Å; V51-M67 HydrophobicContact CB-CE 4.49Å; V51-M67 HydrophobicContact CB-SD 4.2Å; V51-M67 HydrophobicContact CG1-CE 3.96Å; V51-M67 HydrophobicContact CG1-SD 4.27Å; V51-M67 HydrophobicContact CG2-CE 4.01Å; V51-M67 HydrophobicContact CG2-SD 3.6Å; F55-M67 HydrophobicContact CD1-CE 4.42Å; F55-M67 HydrophobicContact CE1-CE 3.98Å; I56-M67 HydrophobicContact CD1-CB 3.8Å; I56-M67 HydrophobicContact CD1-CE 3.88Å; I56-M67 HydrophobicContact CD1-CG 4.41Å; I56-M67 HydrophobicContact CD1-SD 3.78Å; I59-M67 HydrophobicContact CD1-CB 4.2Å; M67-L69 HydrophobicContact SD-CD2 4.26Å; M67-L109 HydrophobicContact CE-CD1 3.91Å
68	E	97	Very high	95.4	Very high	50 Å²	50	56.1 Å²	56.1	23%	0.234	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.5	171.2	-177.1	173.2	180	0	0	109.2	R42 L43 F44 G45 L70 H81	R42-E68 IonicContact CZ-OE2 3.69Å; R42-E68 IonicContact NH1-OE2 2.58Å; R42-E68 PolarHBondContact NH1-OE2 3.41Å; L43-E68 PolarHBondContact O-N 2.94Å; F44-E68 CarbonylContact C-O 3.52Å; F44-E68 VanDerWaalsContact CA-O 3.26Å; F44-E68 WeakPolarHBondContact CA-O 3.39Å; F44-E68 HydrophobicContact CD1-CB 3.94Å; F44-E68 HydrophobicContact CD1-CG 4.39Å; F44-E68 HydrophobicContact CE1-CB 4.16Å; F44-E68 WeakPolarHBondContact CE1-OE2 3.42Å; G45-E68 PolarHBondContact N-O 3.19Å; E68-L70 HydrophobicContact CG-CD2 4.15Å; E68-H81 VanDerWaalsContact CD-NE2 3.31Å; E68-H81 IonicContact OE1-CD2 2.68Å; E68-H81 IonicContact OE1-CE1 2.8Å; E68-H81 PolarHBondContact OE1-CE1 2.93Å; E68-H81 VanDerWaalsContact OE1-CE1 3.28Å; E68-H81 IonicContact OE1-NE2 3.34Å; E68-H81 PolarHBondContact OE1-NE2 3.48Å; E68-H81 IonicContact OE2-NE2 3.97Å; E68-H81 PolarHBondContact OE2-NE2 3.46Å
69	L	97.5	Very high	95.6	Very high	78 Å²	78	55 Å²	55	41%	0.408	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.8	176.8	-59.4	-178.7	0	0	0	110	G45 L47 L49 M67	G45-L69 CarbonylContact O-C 3.54Å; G45-L69 VanDerWaalsContact O-CA 3.29Å; G45-L69 WeakPolarHBondContact O-CA 3.41Å; L47-L69 HydrophobicContact CD2-CB 4.14Å; L49-L69 HydrophobicContact CB-CD2 4.35Å; M67-L69 HydrophobicContact SD-CD2 4.26Å
70	L	98.1	Very high	95.8	Very high	21 Å²	21	60.3 Å²	60.3	11%	0.11	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	157.2	-179.6	-59.4	-179.6	0	0	0	110.5	F44 G45 Q46 L47 E68 F72 A78 H81 I82	F44-L70 HydrophobicContact CB-CD1 4.14Å; F44-L70 HydrophobicContact CD1-CD1 3.5Å; F44-L70 VanDerWaalsContact CD1-CD1 3.5Å; F44-L70 HydrophobicContact CD1-CG 4.01Å; F44-L70 HydrophobicContact CE1-CD1 4.18Å; F44-L70 HydrophobicContact CG-CD1 4.09Å; G45-L70 PolarHBondContact O-N 3.03Å; Q46-L70 CarbonylContact C-O 3.54Å; Q46-L70 WeakPolarHBondContact CA-O 3.46Å; Q46-L70 PolarHBondContact OE1-O 3.03Å; L47-L70 PolarHBondContact N-O 3.47Å; E68-L70 HydrophobicContact CG-CD2 4.15Å; L70-F72 HydrophobicContact CB-CD1 4.03Å; L70-F72 HydrophobicContact CB-CE1 3.75Å; L70-F72 HydrophobicContact CD1-CE1 4.09Å; L70-F72 HydrophobicContact CG-CE1 4.44Å; L70-F72 PolarHBondContact O-N 2.91Å; L70-A78 HydrophobicContact CD1-CB 4.46Å; L70-H81 HydrophobicContact CD1-CB 4.43Å; L70-I82 HydrophobicContact CD1-CD1 4.31Å; L70-I82 HydrophobicContact CD1-CG1 4.04Å
71	D	98	Very high	96.1	Very high	51 Å²	51	59.1 Å²	59.1	27%	0.273	29%	0.288	S	S	.	.			trans	-85.1	93	174.2	-171.7	0.2	0	0	0	110.6	L47 K73 K74	L47-D71 HydrophobicContact CD1-CB 3.71Å; L47-D71 HydrophobicContact CG-CB 4.11Å; D71-K73 PolarHBondContact O-N 3.5Å; D71-K73 VanDerWaalsContact OD1-CB 3.23Å; D71-K73 WeakPolarHBondContact OD1-CB 3.43Å; D71-K73 PolarHBondContact OD1-N 3.02Å; D71-K74 CarbonylContact O-C 3.43Å; D71-K74 WeakPolarHBondContact O-CA 3.44Å; D71-K74 WeakPolarHBondContact O-CB 3.25Å; D71-K74 PolarHBondContact O-N 2.85Å
72	F	98.2	Very high	96.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-6.4	178.2	-65.1	-19.5	0	0	0	113.7	F44 Q46 L70 K74 A78 I103 D104 T107 V110	F44-F72 HydrophobicContact CB-CE1 4.43Å; F44-F72 HydrophobicContact CB-CZ 3.94Å; F44-F72 WeakPolarHBondContact O-CZ 3.15Å; Q46-F72 HydrophobicContact CB-CD2 3.78Å; Q46-F72 HydrophobicContact CB-CE2 4.38Å; Q46-F72 HydrophobicContact CB-CG 4.38Å; L70-F72 HydrophobicContact CB-CD1 4.03Å; L70-F72 HydrophobicContact CB-CE1 3.75Å; L70-F72 HydrophobicContact CD1-CE1 4.09Å; L70-F72 HydrophobicContact CG-CE1 4.44Å; L70-F72 PolarHBondContact O-N 2.91Å; F72-K74 PolarHBondContact O-N 2.92Å; F72-A78 HydrophobicContact CD1-CB 3.65Å; F72-A78 HydrophobicContact CE1-CB 4.02Å; F72-I103 HydrophobicContact CB-CG2 3.64Å; F72-I103 HydrophobicContact CD1-CD1 4.3Å; F72-I103 HydrophobicContact CD1-CG2 3.62Å; F72-I103 HydrophobicContact CD2-CG2 4.29Å; F72-I103 HydrophobicContact CE1-CD1 3.97Å; F72-I103 HydrophobicContact CE1-CG2 4.28Å; F72-I103 HydrophobicContact CG-CG2 3.6Å; F72-I103 HydrophobicContact CZ-CD1 4.48Å; F72-D104 CarbonylContact O-C 3.52Å; F72-T107 HydrophobicContact CD2-CG2 3.73Å; F72-T107 WeakPolarHBondContact CD2-O 3.3Å; F72-T107 HydrophobicContact CE2-CG2 3.83Å; F72-V110 HydrophobicContact CE2-CG2 4.04Å; F72-V110 HydrophobicContact CZ-CB 4.42Å; F72-V110 HydrophobicContact CZ-CG2 3.8Å
73	K	97	Very high	96.7	Very high	155 Å²	155	53.4 Å²	53.4	67%	0.674	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.2	165.8	-56.6	-177.8	178	-176.5	0	111.4	D71	D71-K73 PolarHBondContact O-N 3.5Å; D71-K73 VanDerWaalsContact OD1-CB 3.23Å; D71-K73 WeakPolarHBondContact OD1-CB 3.43Å; D71-K73 PolarHBondContact OD1-N 3.02Å
74	K	97.6	Very high	97	Very high	113 Å²	113	53.9 Å²	53.9	49%	0.491	27%	0.268	S	S	.	.	S	Bend	trans	-99.6	63.5	170.2	-63.7	-171.9	-178.1	-172.6	0	109.6	D71 F72 L76 E77 A78	D71-K74 CarbonylContact O-C 3.43Å; D71-K74 WeakPolarHBondContact O-CA 3.44Å; D71-K74 WeakPolarHBondContact O-CB 3.25Å; D71-K74 PolarHBondContact O-N 2.85Å; F72-K74 PolarHBondContact O-N 2.92Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 PolarHBondContact O-N 3.19Å; K74-E77 HydrophobicContact CB-CB 4.29Å; K74-E77 WeakPolarHBondContact CB-OE2 3.44Å; K74-E77 PolarHBondContact O-N 3.19Å; K74-A78 PolarHBondContact O-N 2.71Å
75	G	97.5	Very high	97.4	Very high	12 Å²	12	52.7 Å²	52.7	12%	0.124	26%	0.256	C	S	.	.	H	α-helix	trans	-55.2	-42.9	-170.8	0	0	0	0	0	113.6	E77 A78 C79 I103	G75-E77 PolarHBondContact O-N 3.44Å; G75-A78 PolarHBondContact O-N 2.95Å; G75-C79 WeakPolarHBondContact O-CB 3.43Å; G75-C79 PolarHBondContact O-N 3.41Å; G75-C79 PolarHBondContact O-SG 3.08Å; G75-I103 WeakPolarHBondContact CA-O 3.41Å
76	L	97.7	Very high	97.6	Very high	100 Å²	100	52.6 Å²	52.6	52%	0.524	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-46.2	179.1	-178.7	62.6	0	0	0	112	K74 C79 K80 Q100	K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 PolarHBondContact O-N 3.19Å; L76-C79 PolarHBondContact O-N 3.26Å; L76-K80 WeakPolarHBondContact O-CB 3.37Å; L76-K80 PolarHBondContact O-N 2.97Å; L76-Q100 HydrophobicContact CD1-CB 3.79Å; L76-Q100 HydrophobicContact CD1-CG 4.04Å
77	E	98.1	Very high	97.9	Very high	109 Å²	109	52 Å²	52	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-66.8	-38.3	177.5	-63.1	95.7	136.8	0	0	112	K74 G75 K80 H81	K74-E77 HydrophobicContact CB-CB 4.29Å; K74-E77 WeakPolarHBondContact CB-OE2 3.44Å; K74-E77 PolarHBondContact O-N 3.19Å; G75-E77 PolarHBondContact O-N 3.44Å; E77-K80 PolarHBondContact O-N 3.43Å; E77-H81 WeakPolarHBondContact O-CB 3.33Å; E77-H81 PolarHBondContact O-N 3.41Å
78	A	98.3	Very high	97.9	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-65	-45.9	175.2	0	0	0	0	0	112	L70 F72 K74 G75 K80 H81 I82 I103	L70-A78 HydrophobicContact CD1-CB 4.46Å; F72-A78 HydrophobicContact CD1-CB 3.65Å; F72-A78 HydrophobicContact CE1-CB 4.02Å; K74-A78 PolarHBondContact O-N 2.71Å; G75-A78 PolarHBondContact O-N 2.95Å; A78-K80 VanDerWaalsContact C-N 3.33Å; A78-K80 PolarHBondContact O-N 3.25Å; A78-H81 PolarHBondContact O-N 3.35Å; A78-I82 WeakPolarHBondContact O-CG1 3.43Å; A78-I82 PolarHBondContact O-N 3.46Å; A78-I103 HydrophobicContact CB-CD1 4.11Å; A78-I103 HydrophobicContact CB-CG2 4.35Å
79	C	98.4	Very high	97.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-46.6	174.8	-73.3	0	0	0	0	111.1	G75 L76 H81 I82 N83 I98 Q100	G75-C79 WeakPolarHBondContact O-CB 3.43Å; G75-C79 PolarHBondContact O-N 3.41Å; G75-C79 PolarHBondContact O-SG 3.08Å; L76-C79 PolarHBondContact O-N 3.26Å; C79-H81 PolarHBondContact O-N 3.27Å; C79-I82 PolarHBondContact O-N 2.98Å; C79-N83 WeakPolarHBondContact O-CB 3.41Å; C79-N83 PolarHBondContact O-N 2.84Å; C79-N83 PolarHBondContact O-ND2 2.92Å; C79-I98 HydrophobicContact CB-CD1 4.32Å; C79-Q100 PolarHBondContact SG-O 2.76Å
80	K	98.3	Very high	97.7	Very high	124 Å²	124	56.9 Å²	56.9	54%	0.539	27%	0.266	S	S	.	.	H	α-helix	trans	-59.1	-47.5	176.5	-174.4	-176.4	-179.3	-60.7	0	111.6	L76 E77 A78 I82 N83 D84	L76-K80 WeakPolarHBondContact O-CB 3.37Å; L76-K80 PolarHBondContact O-N 2.97Å; E77-K80 PolarHBondContact O-N 3.43Å; A78-K80 VanDerWaalsContact C-N 3.33Å; A78-K80 PolarHBondContact O-N 3.25Å; K80-I82 VanDerWaalsContact C-N 3.33Å; K80-I82 PolarHBondContact O-N 3.48Å; K80-N83 PolarHBondContact O-N 3.01Å; K80-D84 IonicContact NZ-OD1 3.84Å; K80-D84 IonicContact NZ-OD2 2.7Å; K80-D84 PolarHBondContact NZ-OD2 3.38Å; K80-D84 WeakPolarHBondContact O-CB 3.18Å; K80-D84 PolarHBondContact O-N 3.12Å
81	H	98.5	Very high	97.5	Very high	68 Å²	68	61 Å²	61	32%	0.315	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-43	179.6	-176.5	89.1	0	0	0	112.5	F44 E68 L70 E77 A78 C79 W85	F44-H81 AromaticContact CE1-CD2 3.88Å; E68-H81 VanDerWaalsContact CD-NE2 3.31Å; E68-H81 IonicContact OE1-CD2 2.68Å; E68-H81 IonicContact OE1-CE1 2.8Å; E68-H81 PolarHBondContact OE1-CE1 2.93Å; E68-H81 VanDerWaalsContact OE1-CE1 3.28Å; E68-H81 IonicContact OE1-NE2 3.34Å; E68-H81 PolarHBondContact OE1-NE2 3.48Å; E68-H81 IonicContact OE2-NE2 3.97Å; E68-H81 PolarHBondContact OE2-NE2 3.46Å; L70-H81 HydrophobicContact CD1-CB 4.43Å; E77-H81 WeakPolarHBondContact O-CB 3.33Å; E77-H81 PolarHBondContact O-N 3.41Å; A78-H81 PolarHBondContact O-N 3.35Å; C79-H81 PolarHBondContact O-N 3.27Å; H81-W85 WeakPolarHBondContact O-CB 3.43Å; H81-W85 PolarHBondContact O-N 3.46Å
82	I	98.5	Very high	97.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.9	-46.1	177.9	-69.1	172.7	0	0	0	110.8	F44 L70 A78 C79 K80 W85 V86 I98 I103 V110 I112	F44-I82 HydrophobicContact CB-CD1 4.04Å; F44-I82 HydrophobicContact CB-CG1 4.44Å; F44-I82 HydrophobicContact CD1-CG1 4.06Å; F44-I82 HydrophobicContact CD2-CD1 3.87Å; F44-I82 HydrophobicContact CD2-CG1 3.7Å; F44-I82 HydrophobicContact CE1-CG1 4.13Å; F44-I82 HydrophobicContact CE2-CB 4.43Å; F44-I82 HydrophobicContact CE2-CD1 4.44Å; F44-I82 HydrophobicContact CE2-CG1 3.8Å; F44-I82 HydrophobicContact CE2-CG2 4.19Å; F44-I82 HydrophobicContact CG-CD1 3.91Å; F44-I82 HydrophobicContact CG-CG1 3.81Å; F44-I82 HydrophobicContact CZ-CG1 4Å; L70-I82 HydrophobicContact CD1-CD1 4.31Å; L70-I82 HydrophobicContact CD1-CG1 4.04Å; A78-I82 WeakPolarHBondContact O-CG1 3.43Å; A78-I82 PolarHBondContact O-N 3.46Å; C79-I82 PolarHBondContact O-N 2.98Å; K80-I82 VanDerWaalsContact C-N 3.33Å; K80-I82 PolarHBondContact O-N 3.48Å; I82-W85 PolarHBondContact O-N 2.85Å; I82-V86 WeakPolarHBondContact O-CG2 3.42Å; I82-V86 PolarHBondContact O-N 2.93Å; I82-I98 HydrophobicContact CB-CD1 4.03Å; I82-I98 HydrophobicContact CD1-CD1 4.09Å; I82-I98 HydrophobicContact CG2-CD1 3.83Å; I82-I98 HydrophobicContact CG2-CG1 4.34Å; I82-I103 HydrophobicContact CD1-CD1 3.47Å; I82-I103 VanDerWaalsContact CD1-CD1 3.47Å; I82-V110 HydrophobicContact CD1-CB 4.42Å; I82-V110 HydrophobicContact CD1-CG1 4.27Å; I82-I112 HydrophobicContact CG2-CD1 3.8Å; I82-I112 HydrophobicContact CG2-CG1 3.81Å
83	N	98.4	Very high	97.4	Very high	8 Å²	8	67.3 Å²	67.3	4%	0.043	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-43.3	177.2	-76	-25.3	0	0	0	111.9	C79 K80 W85 V86 E87 L97 I98	C79-N83 WeakPolarHBondContact O-CB 3.41Å; C79-N83 PolarHBondContact O-N 2.84Å; C79-N83 PolarHBondContact O-ND2 2.92Å; K80-N83 PolarHBondContact O-N 3.01Å; N83-W85 VanDerWaalsContact C-N 3.32Å; N83-W85 PolarHBondContact O-N 3.37Å; N83-V86 PolarHBondContact O-N 3.46Å; N83-E87 WeakPolarHBondContact O-CB 3.45Å; N83-E87 PolarHBondContact O-N 3.29Å; N83-L97 PolarHBondContact OD1-N 3.48Å; N83-I98 PolarHBondContact ND2-O 3.11Å; N83-I98 WeakPolarHBondContact OD1-CG1 3.32Å; N83-I98 PolarHBondContact OD1-N 3.27Å
84	D	98.4	Very high	97.4	Very high	72 Å²	72	62.5 Å²	62.5	39%	0.385	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-41.4	175.5	-71.4	-16.9	0	0	0	111.2	K80 E87 K88	K80-D84 IonicContact NZ-OD1 3.84Å; K80-D84 IonicContact NZ-OD2 2.7Å; K80-D84 PolarHBondContact NZ-OD2 3.38Å; K80-D84 WeakPolarHBondContact O-CB 3.18Å; K80-D84 PolarHBondContact O-N 3.12Å; D84-E87 PolarHBondContact O-N 2.77Å; D84-K88 WeakPolarHBondContact O-CB 3.17Å; D84-K88 PolarHBondContact O-N 3Å
85	W	98.1	Very high	97.3	Very high	29 Å²	29	62.8 Å²	62.8	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-45.8	176.2	-179.4	95.2	0	0	0	111.6	A40 R42 F44 H81 I82 N83 K88 K89 I112	A40-W85 HydrophobicContact CB-CH2 3.73Å; A40-W85 HydrophobicContact CB-CZ2 4.36Å; A40-W85 HydrophobicContact CB-CZ3 4.31Å; R42-W85 HydrophobicContact CB-CH2 3.44Å; R42-W85 VanDerWaalsContact CB-CH2 3.44Å; R42-W85 HydrophobicContact CB-CZ2 3.42Å; R42-W85 VanDerWaalsContact CB-CZ2 3.42Å; R42-W85 HydrophobicContact CB-CZ3 4.08Å; R42-W85 HydrophobicContact CG-CZ2 4.27Å; F44-W85 HydrophobicContact CE2-CE3 4.41Å; F44-W85 HydrophobicContact CZ-CB 4.27Å; F44-W85 HydrophobicContact CZ-CD2 4.07Å; F44-W85 HydrophobicContact CZ-CE3 4.29Å; F44-W85 HydrophobicContact CZ-CG 4.05Å; H81-W85 WeakPolarHBondContact O-CB 3.43Å; H81-W85 PolarHBondContact O-N 3.46Å; I82-W85 PolarHBondContact O-N 2.85Å; N83-W85 VanDerWaalsContact C-N 3.32Å; N83-W85 PolarHBondContact O-N 3.37Å; W85-K88 PolarHBondContact O-N 2.85Å; W85-K89 HydrophobicContact CD2-CG 3.94Å; W85-K89 HydrophobicContact CE3-CG 4.21Å; W85-K89 HydrophobicContact CH2-CG 4.07Å; W85-K89 HydrophobicContact CZ2-CD 4.27Å; W85-K89 HydrophobicContact CZ2-CG 3.8Å; W85-K89 HydrophobicContact CZ3-CG 4.26Å; W85-K89 WeakPolarHBondContact O-CB 3.4Å; W85-K89 VanDerWaalsContact O-CG 3.25Å; W85-K89 WeakPolarHBondContact O-CG 3.41Å; W85-K89 PolarHBondContact O-N 2.89Å; W85-I112 HydrophobicContact CE3-CG2 4.33Å; W85-I112 HydrophobicContact CZ3-CB 4.47Å; W85-I112 HydrophobicContact CZ3-CG2 3.77Å
86	V	97.9	Very high	97.3	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-45.5	176.8	172.2	0	0	0	0	110.8	I82 N83 K88 K89 T90 I94 L97 I112 A114	I82-V86 WeakPolarHBondContact O-CG2 3.42Å; I82-V86 PolarHBondContact O-N 2.93Å; N83-V86 PolarHBondContact O-N 3.46Å; V86-K88 VanDerWaalsContact C-N 3.31Å; V86-K88 PolarHBondContact O-N 2.65Å; V86-K89 PolarHBondContact O-N 2.68Å; V86-T90 HydrophobicContact CG1-CG2 4.21Å; V86-T90 WeakPolarHBondContact O-CB 3.31Å; V86-T90 VanDerWaalsContact O-CG2 3.3Å; V86-T90 WeakPolarHBondContact O-CG2 3.37Å; V86-T90 PolarHBondContact O-N 3.4Å; V86-T90 PolarHBondContact O-OG1 3.34Å; V86-I94 HydrophobicContact CG1-CB 3.9Å; V86-I94 HydrophobicContact CG1-CG2 3.68Å; V86-L97 HydrophobicContact CG1-CB 4.16Å; V86-L97 HydrophobicContact CG1-CD2 4.14Å; V86-L97 HydrophobicContact CG2-CB 4.48Å; V86-L97 HydrophobicContact CG2-CD2 3.74Å; V86-I112 HydrophobicContact CG2-CG2 3.62Å; V86-A114 HydrophobicContact CG1-CB 4.12Å
87	E	98.2	Very high	97.3	Very high	59 Å²	59	66.4 Å²	66.4	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-46	178.9	-172.4	176.5	-176.7	0	0	110.5	N83 D84 K89 T90 K91 G92 I94 K95	N83-E87 WeakPolarHBondContact O-CB 3.45Å; N83-E87 PolarHBondContact O-N 3.29Å; D84-E87 PolarHBondContact O-N 2.77Å; E87-K89 PolarHBondContact O-N 2.7Å; E87-T90 CarbonylContact O-C 3.59Å; E87-T90 PolarHBondContact O-N 3.31Å; E87-T90 PolarHBondContact O-OG1 3.13Å; E87-K91 PolarHBondContact O-N 3.18Å; E87-K91 VanDerWaalsContact O-N 3.08Å; E87-G92 PolarHBondContact O-N 3.24Å; E87-I94 VanDerWaalsContact CA-O 3.24Å; E87-I94 WeakPolarHBondContact CA-O 3.35Å; E87-K95 HydrophobicContact CG-CG 4.13Å; E87-K95 WeakPolarHBondContact OE1-CE 3.43Å; E87-K95 IonicContact OE1-NZ 3.76Å; E87-K95 PolarHBondContact OE1-NZ 2.85Å
88	K	97.1	Very high	97.2	Very high	174 Å²	174	62.3 Å²	62.3	76%	0.757	30%	0.296	S	S	*	.	H	α-helix	trans	-61	-46.3	175.6	-177.3	177	-179.7	176.5	0	112	D84 W85 V86 T90 K91	D84-K88 WeakPolarHBondContact O-CB 3.17Å; D84-K88 PolarHBondContact O-N 3Å; W85-K88 PolarHBondContact O-N 2.85Å; V86-K88 VanDerWaalsContact C-N 3.31Å; V86-K88 PolarHBondContact O-N 2.65Å; K88-T90 PolarHBondContact O-N 2.58Å; K88-K91 PolarHBondContact O-N 3.4Å
89	K	94.3	Very high	97.1	Very high	95 Å²	95	66.2 Å²	66.2	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-21.3	-179.6	-70.4	-65.8	-177.9	176.6	0	113.3	A40 W85 V86 E87	A40-K89 HydrophobicContact CB-CB 3.63Å; A40-K89 HydrophobicContact CB-CD 4.04Å; A40-K89 HydrophobicContact CB-CG 3.83Å; W85-K89 HydrophobicContact CD2-CG 3.94Å; W85-K89 HydrophobicContact CE3-CG 4.21Å; W85-K89 HydrophobicContact CH2-CG 4.07Å; W85-K89 HydrophobicContact CZ2-CD 4.27Å; W85-K89 HydrophobicContact CZ2-CG 3.8Å; W85-K89 HydrophobicContact CZ3-CG 4.26Å; W85-K89 WeakPolarHBondContact O-CB 3.4Å; W85-K89 VanDerWaalsContact O-CG 3.25Å; W85-K89 WeakPolarHBondContact O-CG 3.41Å; W85-K89 PolarHBondContact O-N 2.89Å; V86-K89 PolarHBondContact O-N 2.68Å; E87-K89 PolarHBondContact O-N 2.7Å
90	T	95.2	Very high	96.9	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.006	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	16.3	-179.4	64.2	0	0	0	0	113.5	V86 E87 K88 G92 K93 I94 A114 Y116	V86-T90 HydrophobicContact CG1-CG2 4.21Å; V86-T90 WeakPolarHBondContact O-CB 3.31Å; V86-T90 VanDerWaalsContact O-CG2 3.3Å; V86-T90 WeakPolarHBondContact O-CG2 3.37Å; V86-T90 PolarHBondContact O-N 3.4Å; V86-T90 PolarHBondContact O-OG1 3.34Å; E87-T90 CarbonylContact O-C 3.59Å; E87-T90 PolarHBondContact O-N 3.31Å; E87-T90 PolarHBondContact O-OG1 3.13Å; K88-T90 PolarHBondContact O-N 2.58Å; T90-G92 PolarHBondContact O-N 3.27Å; T90-K93 WeakPolarHBondContact O-CB 3.36Å; T90-K93 WeakPolarHBondContact O-CG 3.24Å; T90-K93 PolarHBondContact O-N 3.08Å; T90-I94 HydrophobicContact CG2-CB 4.07Å; T90-I94 HydrophobicContact CG2-CD1 3.92Å; T90-I94 HydrophobicContact CG2-CG1 3.98Å; T90-I94 PolarHBondContact OG1-N 3.5Å; T90-I94 VanDerWaalsContact OG1-N 3.11Å; T90-I94 PolarHBondContact OG1-O 3.5Å; T90-A114 HydrophobicContact CG2-CB 3.83Å; T90-Y116 WeakPolarHBondContact O-CD2 3.35Å
91	K	95	Very high	96.8	Very high	106 Å²	106	73 Å²	73	46%	0.461	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	40.3	179.1	-54.1	-168.8	178.3	-168.6	0	113.4	E36 E87 K88 K93 Y116	E36-K91 VanDerWaalsContact OE1-CE 3.31Å; E36-K91 WeakPolarHBondContact OE1-CE 3.4Å; E36-K91 IonicContact OE1-NZ 2.73Å; E36-K91 PolarHBondContact OE1-NZ 2.84Å; E36-K91 IonicContact OE2-NZ 3.95Å; E36-K91 PolarHBondContact OE2-NZ 3.39Å; E87-K91 PolarHBondContact O-N 3.18Å; E87-K91 VanDerWaalsContact O-N 3.08Å; K88-K91 PolarHBondContact O-N 3.4Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K91-K93 PolarHBondContact O-N 2.98Å; K91-Y116 HydrophobicContact CB-CD2 4.3Å; K91-Y116 HydrophobicContact CB-CE2 3.99Å; K91-Y116 HydrophobicContact CD-CD1 4.43Å; K91-Y116 HydrophobicContact CD-CE1 3.88Å; K91-Y116 HydrophobicContact CD-CE2 4.19Å; K91-Y116 HydrophobicContact CG-CD2 4.47Å; K91-Y116 HydrophobicContact CG-CE2 4.3Å
92	G	96.9	Very high	96.7	Very high	26 Å²	26	72 Å²	72	27%	0.268	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	6.4	178.4	0	0	0	0	0	115.1	E87 T90 K95	E87-G92 PolarHBondContact O-N 3.24Å; T90-G92 PolarHBondContact O-N 3.27Å; G92-K95 WeakPolarHBondContact O-CE 3.43Å
93	K	96.4	Very high	96.7	Very high	158 Å²	158	72.4 Å²	72.4	69%	0.687	36%	0.36	S	S	*	.	S	Bend	trans	-88.3	-32.7	-175.2	-63.4	-53.6	-176.9	-176.7	0	114.1	T90 K91 Y116	T90-K93 WeakPolarHBondContact O-CB 3.36Å; T90-K93 WeakPolarHBondContact O-CG 3.24Å; T90-K93 PolarHBondContact O-N 3.08Å; K91-K93 VanDerWaalsContact C-N 3.32Å; K91-K93 PolarHBondContact O-N 2.98Å; K93-Y116 HydrophobicContact CB-CD2 4.36Å; K93-Y116 HydrophobicContact CG-CD2 3.96Å; K93-Y116 HydrophobicContact CG-CE2 3.69Å
94	I	97.1	Very high	96.6	Very high	54 Å²	54	75.6 Å²	75.6	28%	0.277	38%	0.376	S	S	.	.	S	Bend	trans	-107.8	113.3	171.9	-55.4	-173.8	0	0	0	106.9	V86 E87 T90 L97	V86-I94 HydrophobicContact CG1-CB 3.9Å; V86-I94 HydrophobicContact CG1-CG2 3.68Å; E87-I94 VanDerWaalsContact CA-O 3.24Å; E87-I94 WeakPolarHBondContact CA-O 3.35Å; T90-I94 HydrophobicContact CG2-CB 4.07Å; T90-I94 HydrophobicContact CG2-CD1 3.92Å; T90-I94 HydrophobicContact CG2-CG1 3.98Å; T90-I94 PolarHBondContact OG1-N 3.5Å; T90-I94 VanDerWaalsContact OG1-N 3.11Å; T90-I94 PolarHBondContact OG1-O 3.5Å; I94-L97 HydrophobicContact CG2-CB 4.06Å; I94-L97 HydrophobicContact CG2-CD1 4.04Å
95	K	96.2	Very high	96.4	Very high	119 Å²	119	76.4 Å²	76.4	52%	0.517	39%	0.386	S	S	.	.			trans	-117.5	147.6	176.1	-53.9	-169.6	-179	-135.8	0	107.7	E87 G92 L97	E87-K95 HydrophobicContact CG-CG 4.13Å; E87-K95 WeakPolarHBondContact OE1-CE 3.43Å; E87-K95 IonicContact OE1-NZ 3.76Å; E87-K95 PolarHBondContact OE1-NZ 2.85Å; G92-K95 WeakPolarHBondContact O-CE 3.43Å; K95-L97 VanDerWaalsContact C-N 3.25Å; K95-L97 PolarHBondContact O-N 2.82Å
96	D	96.2	Very high	96.4	Very high	113 Å²	113	82.2 Å²	82.2	60%	0.604	42%	0.418	S	S	*	.			trans	52.6	43.6	174.9	-51.4	-58.2	0	0	0	113	I98	D96-I98 PolarHBondContact O-N 3.3Å
97	L	97.5	Very high	96.4	Very high	75 Å²	75	83.5 Å²	83.5	39%	0.393	43%	0.426	S	S	.	.	S	Bend	trans	-52.6	-42.6	-178.5	176	67.8	0	0	0	111.6	N83 V86 I94 K95 I112	N83-L97 PolarHBondContact OD1-N 3.48Å; V86-L97 HydrophobicContact CG1-CB 4.16Å; V86-L97 HydrophobicContact CG1-CD2 4.14Å; V86-L97 HydrophobicContact CG2-CB 4.48Å; V86-L97 HydrophobicContact CG2-CD2 3.74Å; I94-L97 HydrophobicContact CG2-CB 4.06Å; I94-L97 HydrophobicContact CG2-CD1 4.04Å; K95-L97 VanDerWaalsContact C-N 3.25Å; K95-L97 PolarHBondContact O-N 2.82Å; L97-I112 HydrophobicContact CD2-CD1 4.15Å; L97-I112 HydrophobicContact CD2-CG2 4.03Å
98	I	97.2	Very high	96.3	Very high	24 Å²	24	83.9 Å²	83.9	12%	0.123	44%	0.435	C	S	.	.	S	Bend	trans	-111.1	140	173.7	61.1	173.2	0	0	0	109.9	C79 I82 N83 D96 A102 I103	C79-I98 HydrophobicContact CB-CD1 4.32Å; I82-I98 HydrophobicContact CB-CD1 4.03Å; I82-I98 HydrophobicContact CD1-CD1 4.09Å; I82-I98 HydrophobicContact CG2-CD1 3.83Å; I82-I98 HydrophobicContact CG2-CG1 4.34Å; N83-I98 PolarHBondContact ND2-O 3.11Å; N83-I98 WeakPolarHBondContact OD1-CG1 3.32Å; N83-I98 PolarHBondContact OD1-N 3.27Å; D96-I98 PolarHBondContact O-N 3.3Å; I98-A102 HydrophobicContact CB-CB 3.83Å; I98-A102 HydrophobicContact CD1-CB 4.31Å; I98-A102 HydrophobicContact CG1-CB 4.39Å; I98-I103 HydrophobicContact CD1-CD1 3.94Å; I98-I103 HydrophobicContact CD1-CG1 4.32Å
99	P	96.7	Very high	96.3	Very high	85 Å²	85	79.5 Å²	79.5	55%	0.552	42%	0.42	S	S	*	.			trans	-62.5	158.1	175.1	24.6	-31.5	0	0	0	111.1	E101 A102	P99-E101 PolarHBondContact O-N 3.05Å; P99-E101 VanDerWaalsContact O-N 3.13Å; P99-A102 HydrophobicContact CG-CB 3.9Å; P99-A102 WeakPolarHBondContact O-CB 3.41Å; P99-A102 PolarHBondContact O-N 3.03Å
100	Q	93.9	Very high	96.4	Very high	115 Å²	115	76 Å²	76	54%	0.537	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.7	-175.6	-72	-175.1	-7.2	0	0	113	L76 C79	L76-Q100 HydrophobicContact CD1-CB 3.79Å; L76-Q100 HydrophobicContact CD1-CG 4.04Å; C79-Q100 PolarHBondContact SG-O 2.76Å
101	E	94.5	Very high	96.5	Very high	152 Å²	152	82.1 Å²	82.1	71%	0.71	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	9.7	179.1	-51.6	75.3	-164.9	0	0	113.4	P99 I103	P99-E101 PolarHBondContact O-N 3.05Å; P99-E101 VanDerWaalsContact O-N 3.13Å; E101-I103 PolarHBondContact O-N 2.88Å
102	A	97.3	Very high	96.6	Very high	47 Å²	47	77.4 Å²	77.4	39%	0.388	42%	0.418	S	S	.	.	S	Bend	trans	-65.1	-27.2	-176.8	0	0	0	0	0	114.1	I98 P99	I98-A102 HydrophobicContact CB-CB 3.83Å; I98-A102 HydrophobicContact CD1-CB 4.31Å; I98-A102 HydrophobicContact CG1-CB 4.39Å; P99-A102 HydrophobicContact CG-CB 3.9Å; P99-A102 WeakPolarHBondContact O-CB 3.41Å; P99-A102 PolarHBondContact O-N 3.03Å
103	I	97.9	Very high	96.4	Very high	9 Å²	9	80.5 Å²	80.5	5%	0.046	43%	0.428	C	S	.	.			trans	-111.2	124.6	-176.9	-64.3	176.6	0	0	0	108.8	F72 G75 A78 I82 I98 E101 T107 V110	F72-I103 HydrophobicContact CB-CG2 3.64Å; F72-I103 HydrophobicContact CD1-CD1 4.3Å; F72-I103 HydrophobicContact CD1-CG2 3.62Å; F72-I103 HydrophobicContact CD2-CG2 4.29Å; F72-I103 HydrophobicContact CE1-CD1 3.97Å; F72-I103 HydrophobicContact CE1-CG2 4.28Å; F72-I103 HydrophobicContact CG-CG2 3.6Å; F72-I103 HydrophobicContact CZ-CD1 4.48Å; G75-I103 WeakPolarHBondContact CA-O 3.41Å; A78-I103 HydrophobicContact CB-CD1 4.11Å; A78-I103 HydrophobicContact CB-CG2 4.35Å; I82-I103 HydrophobicContact CD1-CD1 3.47Å; I82-I103 VanDerWaalsContact CD1-CD1 3.47Å; I98-I103 HydrophobicContact CD1-CD1 3.94Å; I98-I103 HydrophobicContact CD1-CG1 4.32Å; E101-I103 PolarHBondContact O-N 2.88Å; I103-T107 HydrophobicContact CG2-CG2 4.23Å; I103-V110 HydrophobicContact CD1-CG2 3.99Å; I103-V110 HydrophobicContact CG1-CG2 4.2Å
104	D	96.3	Very high	96.3	Very high	74 Å²	74	73.2 Å²	73.2	40%	0.396	40%	0.397	S	S	.	.			trans	-117.5	170.8	175.8	68.1	32.7	0	0	0	111.2	F72 L106 T107	F72-D104 CarbonylContact O-C 3.52Å; D104-L106 PolarHBondContact O-N 3.11Å; D104-L106 VanDerWaalsContact O-N 3.09Å; D104-L106 WeakPolarHBondContact OD1-CA 3.16Å; D104-L106 WeakPolarHBondContact OD1-CB 3.46Å; D104-L106 PolarHBondContact OD1-N 2.84Å; D104-T107 PolarHBondContact N-OG1 3.41Å; D104-T107 WeakPolarHBondContact O-CB 3.35Å; D104-T107 PolarHBondContact O-N 3.03Å; D104-T107 PolarHBondContact O-OG1 2.78Å; D104-T107 PolarHBondContact OD1-N 2.94Å; D104-T107 PolarHBondContact OD1-OG1 3.37Å; D104-T107 VanDerWaalsContact OD1-OG1 3.08Å
105	P	95.7	Very high	96.1	Very high	89 Å²	89	74.8 Å²	74.8	58%	0.578	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-13.6	179.7	-25.9	36.3	0	0	0	115.9
106	L	96.5	Very high	96	Very high	151 Å²	151	70.2 Å²	70.2	79%	0.791	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-18.8	176	-61.8	179	0	0	0	112.1	D104 S108	D104-L106 PolarHBondContact O-N 3.11Å; D104-L106 VanDerWaalsContact O-N 3.09Å; D104-L106 WeakPolarHBondContact OD1-CA 3.16Å; D104-L106 WeakPolarHBondContact OD1-CB 3.46Å; D104-L106 PolarHBondContact OD1-N 2.84Å; L106-S108 PolarHBondContact O-N 2.88Å; L106-S108 PolarHBondContact O-OG 3.21Å
107	T	97.7	Very high	95.8	Very high	28 Å²	28	71 Å²	71	17%	0.172	38%	0.384	C	S	.	.			trans	-56.6	130.3	174.7	-56.3	0	0	0	0	109.1	F72 I103 D104 V110	F72-T107 HydrophobicContact CD2-CG2 3.73Å; F72-T107 WeakPolarHBondContact CD2-O 3.3Å; F72-T107 HydrophobicContact CE2-CG2 3.83Å; I103-T107 HydrophobicContact CG2-CG2 4.23Å; D104-T107 PolarHBondContact N-OG1 3.41Å; D104-T107 WeakPolarHBondContact O-CB 3.35Å; D104-T107 PolarHBondContact O-N 3.03Å; D104-T107 PolarHBondContact O-OG1 2.78Å; D104-T107 PolarHBondContact OD1-N 2.94Å; D104-T107 PolarHBondContact OD1-OG1 3.37Å; D104-T107 VanDerWaalsContact OD1-OG1 3.08Å; T107-V110 HydrophobicContact CG2-CG2 3.73Å
108	S	96.5	Very high	95.5	Very high	66 Å²	66	73.8 Å²	73.8	46%	0.462	39%	0.392	S	S	.	.			trans	-113.9	-33	-179.3	-65.5	0	0	0	0	112.4	G45 Q46 L106	G45-S108 WeakPolarHBondContact CA-O 3.26Å; Q46-S108 PolarHBondContact N-O 2.91Å; L106-S108 PolarHBondContact O-N 2.88Å; L106-S108 PolarHBondContact O-OG 3.21Å
109	L	97.2	Very high	95.2	Very high	82 Å²	82	74.4 Å²	74.4	43%	0.429	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	137.1	-177.2	-170.9	71.1	0	0	0	109.9	L43 F44 L49 M67	L43-L109 HydrophobicContact CB-CD1 4.3Å; L43-L109 HydrophobicContact CD2-CD1 4.34Å; L43-L109 HydrophobicContact CD2-CD2 4.36Å; F44-L109 CarbonylContact O-C 3.49Å; F44-L109 WeakPolarHBondContact O-CA 3.38Å; L49-L109 HydrophobicContact CD2-CD1 4.13Å; M67-L109 HydrophobicContact CE-CD1 3.91Å
110	V	97.7	Very high	94.9	Very high	21 Å²	21	77.4 Å²	77.4	13%	0.127	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.9	172.7	-177.8	0	0	0	0	108.1	L43 F44 F72 I82 I103 T107 I112	L43-V110 WeakPolarHBondContact CA-O 3.22Å; F44-V110 HydrophobicContact CB-CB 4.37Å; F44-V110 PolarHBondContact N-O 3.45Å; F44-V110 PolarHBondContact O-N 3.23Å; F72-V110 HydrophobicContact CE2-CG2 4.04Å; F72-V110 HydrophobicContact CZ-CB 4.42Å; F72-V110 HydrophobicContact CZ-CG2 3.8Å; I82-V110 HydrophobicContact CD1-CB 4.42Å; I82-V110 HydrophobicContact CD1-CG1 4.27Å; I103-V110 HydrophobicContact CD1-CG2 3.99Å; I103-V110 HydrophobicContact CG1-CG2 4.2Å; T107-V110 HydrophobicContact CG2-CG2 3.73Å; V110-I112 HydrophobicContact CG1-CD1 3.67Å; V110-I112 HydrophobicContact CG1-CG1 3.99Å
111	L	96.5	Very high	94.8	Very high	130 Å²	130	80.4 Å²	80.4	68%	0.681	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	121	173.6	177	64.5	0	0	0	109.2	L43	L43-L111 HydrophobicContact CD1-CD1 3.65Å; L43-L111 HydrophobicContact CG-CD1 3.82Å
112	I	97	Very high	94.7	Very high	7 Å²	7	83 Å²	83	4%	0.036	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.6	177.8	-59.4	-62.3	0	0	0	109.9	N41 R42 F44 I82 W85 V86 L97 V110	N41-I112 WeakPolarHBondContact CA-O 3.3Å; R42-I112 PolarHBondContact N-O 2.93Å; R42-I112 PolarHBondContact O-N 2.81Å; F44-I112 HydrophobicContact CD2-CG1 3.89Å; F44-I112 HydrophobicContact CE2-CB 4.29Å; F44-I112 HydrophobicContact CE2-CG1 3.86Å; I82-I112 HydrophobicContact CG2-CD1 3.8Å; I82-I112 HydrophobicContact CG2-CG1 3.81Å; W85-I112 HydrophobicContact CE3-CG2 4.33Å; W85-I112 HydrophobicContact CZ3-CB 4.47Å; W85-I112 HydrophobicContact CZ3-CG2 3.77Å; V86-I112 HydrophobicContact CG2-CG2 3.62Å; L97-I112 HydrophobicContact CD2-CD1 4.15Å; L97-I112 HydrophobicContact CD2-CG2 4.03Å; V110-I112 HydrophobicContact CG1-CD1 3.67Å; V110-I112 HydrophobicContact CG1-CG1 3.99Å
113	N	93.4	Very high	94.5	Very high	92 Å²	92	86.3 Å²	86.3	49%	0.492	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.7	166.2	172.5	-103.4	0	0	0	108.7	N41	N41-N113 PolarHBondContact OD1-ND2 3.21Å
114	A	94.3	Very high	94.3	Very high	4 Å²	4	90.5 Å²	90.5	3%	0.033	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	139.8	175	0	0	0	0	0	110.2	A40 V86 T90	A40-A114 PolarHBondContact N-O 2.95Å; A40-A114 PolarHBondContact O-N 2.86Å; V86-A114 HydrophobicContact CG1-CB 4.12Å; T90-A114 HydrophobicContact CG2-CB 3.83Å
115	I	92.6	Very high	94.2	Very high	87 Å²	87	93.3 Å²	93.3	45%	0.446	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.4	178.9	-57.1	176.5	0	0	0	108.5	L37 H38 I39	L37-I115 HydrophobicContact CD1-CG2 3.57Å; H38-I115 WeakPolarHBondContact O-CA 3.45Å; I39-I115 HydrophobicContact CG1-CG1 4.44Å
116	Y	93.4	Very high	94.2	Very high	24 Å²	24	96.4 Å²	96.4	9%	0.094	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.9	165.5	171.2	-86.7	0	0	0	109.2	E36 L37 H38 T90 K91 K93 K118	E36-Y116 HydrophobicContact CB-CE1 4.5Å; E36-Y116 HydrophobicContact CG-CD1 4.31Å; E36-Y116 HydrophobicContact CG-CE1 3.93Å; E36-Y116 WeakPolarHBondContact OE2-CE1 3.09Å; L37-Y116 WeakPolarHBondContact CA-O 3.33Å; H38-Y116 AromaticContact CD2-CD1 3.85Å; H38-Y116 PolarHBondContact N-O 3.11Å; H38-Y116 PolarHBondContact O-N 3.41Å; T90-Y116 WeakPolarHBondContact O-CD2 3.35Å; K91-Y116 HydrophobicContact CB-CD2 4.3Å; K91-Y116 HydrophobicContact CB-CE2 3.99Å; K91-Y116 HydrophobicContact CD-CD1 4.43Å; K91-Y116 HydrophobicContact CD-CE1 3.88Å; K91-Y116 HydrophobicContact CD-CE2 4.19Å; K91-Y116 HydrophobicContact CG-CD2 4.47Å; K91-Y116 HydrophobicContact CG-CE2 4.3Å; K93-Y116 HydrophobicContact CB-CD2 4.36Å; K93-Y116 HydrophobicContact CG-CD2 3.96Å; K93-Y116 HydrophobicContact CG-CE2 3.69Å; Y116-K118 HydrophobicContact CE1-CB 3.89Å; Y116-K118 WeakPolarHBondContact OH-CD 3.11Å
117	F	92.4	Very high	94.1	Very high	130 Å²	130	94.9 Å²	94.9	57%	0.57	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	132	176.9	177.2	-110.8	0	0	0	110.2	Y35 E36 L37 A119	Y35-F117 HydrophobicContact CD2-CE2 4.01Å; Y35-F117 HydrophobicContact CG-CE2 4.31Å; E36-F117 CarbonylContact O-C 3.59Å; E36-F117 WeakPolarHBondContact O-CA 3.43Å; L37-F117 HydrophobicContact CB-CD2 4.35Å; L37-F117 HydrophobicContact CD1-CB 4.14Å; L37-F117 HydrophobicContact CD1-CD2 4.07Å; F117-A119 HydrophobicContact CE1-CB 3.88Å; F117-A119 HydrophobicContact CE2-CB 4Å; F117-A119 HydrophobicContact CZ-CB 3.39Å
118	K	91.4	Very high	94	Very high	132 Å²	132	98.1 Å²	98.1	57%	0.574	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.8	174.2	-179.5	-179.3	176.4	-172.6	0	109.1	Y35 E36 Y116	Y35-K118 CarbonylContact C-O 3.46Å; Y35-K118 VanDerWaalsContact CA-O 3.22Å; Y35-K118 WeakPolarHBondContact CA-O 3.36Å; E36-K118 HydrophobicContact CB-CB 4.45Å; E36-K118 PolarHBondContact N-O 3.45Å; E36-K118 PolarHBondContact O-N 2.72Å; Y116-K118 HydrophobicContact CE1-CB 3.89Å; Y116-K118 WeakPolarHBondContact OH-CD 3.11Å
119	A	91.3	Very high	93.9	Very high	38 Å²	38	101.7 Å²	101.7	31%	0.314	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.4	174.8	0	0	0	0	0	109.7	F117	F117-A119 HydrophobicContact CE1-CB 3.88Å; F117-A119 HydrophobicContact CE2-CB 4Å; F117-A119 HydrophobicContact CZ-CB 3.39Å
120	D	90.2	Very high	93.8	Very high	147 Å²	147	101.1 Å²	101.1	79%	0.786	53%	0.525	S	S	*	.			trans	-73.4	140.5	167.7	-67.9	-33.7	0	0	0	110.4	K122	D120-K122 PolarHBondContact O-N 3.21Å
121	W	91.5	Very high	93.5	Very high	178 Å²	178	109.9 Å²	109.9	67%	0.674	56%	0.561	S	S	*	*			trans	-65.4	133	171.8	-71	96.8	0	0	0	109.8	T123 F125	W121-T123 PolarHBondContact O-N 3.45Å; W121-F125 HydrophobicContact CD2-CD2 4.37Å; W121-F125 AromaticContact CD2-CE2 3.75Å; W121-F125 HydrophobicContact CD2-CE2 3.75Å; W121-F125 AromaticContact CE2-CE2 3.64Å; W121-F125 HydrophobicContact CE3-CE2 4.06Å; W121-F125 HydrophobicContact CG-CD2 4.41Å; W121-F125 HydrophobicContact CG-CE2 4.24Å; W121-F125 HydrophobicContact CH2-CE2 4.18Å; W121-F125 AromaticContact CZ2-CE2 3.88Å; W121-F125 HydrophobicContact CZ2-CE2 3.88Å; W121-F125 HydrophobicContact CZ3-CE2 4.26Å
122	K	91.2	Very high	93.2	Very high	208 Å²	208	111.2 Å²	111.2	90%	0.904	57%	0.567	S	S	*	*	S	Bend	trans	-54.4	-37.4	171.4	-176.4	176.6	-179.5	178.6	0	112.2	D120	D120-K122 PolarHBondContact O-N 3.21Å
123	T	94.7	Very high	92.8	Very high	115 Å²	115	118.3 Å²	118.3	71%	0.706	61%	0.605	S	S	*	*	S	Bend	trans	-126.7	101.8	171.2	-54.1	0	0	0	0	108.4	W121	W121-T123 PolarHBondContact O-N 3.45Å
124	P	93.7	Very high	92.4	Very high	98 Å²	98	119 Å²	119	64%	0.636	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-62.6	144.1	-179.5	-24.8	35	0	0	0	112.8
125	F	93.7	Very high	91.4	Very high	132 Å²	132	124.4 Å²	124.4	58%	0.579	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-70.2	137.7	172.1	-64	-90.8	0	0	0	110.5	W121 T127 T130	W121-F125 HydrophobicContact CD2-CD2 4.37Å; W121-F125 AromaticContact CD2-CE2 3.75Å; W121-F125 HydrophobicContact CD2-CE2 3.75Å; W121-F125 AromaticContact CE2-CE2 3.64Å; W121-F125 HydrophobicContact CE3-CE2 4.06Å; W121-F125 HydrophobicContact CG-CD2 4.41Å; W121-F125 HydrophobicContact CG-CE2 4.24Å; W121-F125 HydrophobicContact CH2-CE2 4.18Å; W121-F125 AromaticContact CZ2-CE2 3.88Å; W121-F125 HydrophobicContact CZ2-CE2 3.88Å; W121-F125 HydrophobicContact CZ3-CE2 4.26Å; F125-T127 PolarHBondContact O-N 3.29Å; F125-T130 HydrophobicContact CB-CG2 3.87Å; F125-T130 HydrophobicContact CG-CG2 4.45Å
126	K	95.4	Very high	90.2	Very high	154 Å²	154	130.4 Å²	130.4	67%	0.67	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-70.9	117.7	168.1	-65.8	-178.1	-179	178.8	0	108.1	A128 L129	K126-A128 PolarHBondContact O-N 3.28Å; K126-A128 VanDerWaalsContact O-N 3.15Å; K126-L129 HydrophobicContact CB-CB 4.35Å; K126-L129 HydrophobicContact CB-CD1 4.06Å; K126-L129 HydrophobicContact CB-CG 4.02Å; K126-L129 HydrophobicContact CD-CD1 3.98Å; K126-L129 HydrophobicContact CG-CD1 4.49Å; K126-L129 WeakPolarHBondContact O-CA 3.48Å; K126-L129 PolarHBondContact O-N 3.38Å
127	T	93.8	Very high	90	Very high	119 Å²	119	135.7 Å²	135.7	73%	0.73	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-53	-38.8	-178.5	52.1	0	0	0	0	112.6	F125 L129 T130	F125-T127 PolarHBondContact O-N 3.29Å; T127-L129 PolarHBondContact O-N 3.21Å; T127-L129 VanDerWaalsContact O-N 3.16Å; T127-T130 PolarHBondContact O-N 2.81Å; T127-T130 PolarHBondContact O-OG1 3.03Å
128	A	96.2	Very high	89.9	Confident	96 Å²	96	136 Å²	136	79%	0.793	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-62	-19.4	176.3	0	0	0	0	0	114.7	K126	K126-A128 PolarHBondContact O-N 3.28Å; K126-A128 VanDerWaalsContact O-N 3.15Å
129	L	94.7	Very high	89.8	Confident	141 Å²	141	136.2 Å²	136.2	74%	0.738	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-100.9	4.4	177.6	-57.6	-177.5	0	0	0	112.6	K126 T127	K126-L129 HydrophobicContact CB-CB 4.35Å; K126-L129 HydrophobicContact CB-CD1 4.06Å; K126-L129 HydrophobicContact CB-CG 4.02Å; K126-L129 HydrophobicContact CD-CD1 3.98Å; K126-L129 HydrophobicContact CG-CD1 4.49Å; K126-L129 WeakPolarHBondContact O-CA 3.48Å; K126-L129 PolarHBondContact O-N 3.38Å; T127-L129 PolarHBondContact O-N 3.21Å; T127-L129 VanDerWaalsContact O-N 3.16Å
130	T	94.5	Very high	89.7	Confident	71 Å²	71	142 Å²	142	44%	0.436	76%	0.764	S	S	.	*			trans	-112.1	148.9	176.9	63	0	0	0	0	110.2	F125 T127	F125-T130 HydrophobicContact CB-CG2 3.87Å; F125-T130 HydrophobicContact CG-CG2 4.45Å; T127-T130 PolarHBondContact O-N 2.81Å; T127-T130 PolarHBondContact O-OG1 3.03Å
131	K	92.6	Very high	89.7	Confident	204 Å²	204	141.7 Å²	141.7	89%	0.887	76%	0.762	S	S	*	*			trans	-128	145.3	171.1	-66.4	-178	180	179.4	0	108.2	L133	K131-L133 PolarHBondContact O-N 3.16Å
132	I	89.6	Confident	89.5	Confident	159 Å²	159	139.3 Å²	139.3	82%	0.815	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-63.5	129.5	171.3	-65.4	170.6	0	0	0	107.2	P134	I132-P134 VanDerWaalsContact O-CD 3.3Å; I132-P134 WeakPolarHBondContact O-CD 3.3Å
133	L	87.9	Confident	89.4	Confident	156 Å²	156	134.4 Å²	134.4	82%	0.817	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.4	117.8	166.4	-177.3	67.6	0	0	0	106.8	K131 S135	K131-L133 PolarHBondContact O-N 3.16Å; L133-S135 PolarHBondContact O-N 2.85Å
134	P	85	Confident	89	Confident	105 Å²	105	135.8 Å²	135.8	68%	0.682	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-57.2	130	176.6	-19.5	31.4	0	0	0	108.8	I132 T136	I132-P134 VanDerWaalsContact O-CD 3.3Å; I132-P134 WeakPolarHBondContact O-CD 3.3Å; P134-T136 PolarHBondContact O-N 3.15Å
135	S	74.9	Confident	88.6	Confident	119 Å²	119	139 Å²	139	83%	0.832	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-61.8	120.9	171.4	50.4	0	0	0	0	108.4	L133	L133-S135 PolarHBondContact O-N 2.85Å
136	T	65.4	Low	88.2	Confident	212 Å²	212	139.6 Å²	139.6	100%	1.301	79%	0.791	S	S	*	*			trans	-63.1	0	164.9	41.6	0	0	0	0	111.1	P134	P134-T136 PolarHBondContact O-N 3.15Å

Retrieved 136 of 136 residues in 131.8 ms (Link to these results)

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