A0A096NS25_PAPAN Loading...

Zinc finger CCHC domain-containing protein 17

AlphaFold DB (A0A2K5ZZS2), UniProt , Accession A0A096NS25, Species PAPAN (Papio anubis, Olive baboon), Gene ZCCHC17, Length 243 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	88.4	Confident	92.8	Very high	126 Å²	126	66.2 Å²	66.2	62%	0.621	32%	0.319	S	S	*	.				0	136.5	0	175.7	178	122.4	0	0	107.1	T3 F8	M1-T3 HydrophobicContact CE-CG2 3.38Å; M1-F8 HydrophobicContact CB-CB 4.38Å; M1-F8 HydrophobicContact CE-CD2 4.27Å; M1-F8 HydrophobicContact CE-CE2 4.23Å; M1-F8 PolarHBondContact N-O 3.45Å; M1-F8 VanDerWaalsContact N-O 3.11Å; M1-F8 PolarHBondContact O-N 3.4Å
2	V	92.4	Very high	92.7	Very high	35 Å²	35	70.9 Å²	70.9	21%	0.212	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.2	179.3	-169.4	0	0	0	0	109	P33 V37 V39	V2-P33 HydrophobicContact CG1-CB 4.15Å; V2-P33 HydrophobicContact CG1-CG 4.16Å; V2-V37 HydrophobicContact CG2-CG2 4.13Å; V2-V39 HydrophobicContact CG2-CG2 4.27Å
3	T	93.4	Very high	92.4	Very high	23 Å²	23	72.5 Å²	72.5	14%	0.141	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157.6	-178.4	55.5	0	0	0	0	108.8	M1 Y5 G6 F8 P33	M1-T3 HydrophobicContact CE-CG2 3.38Å; T3-Y5 HydrophobicContact CG2-CE1 3.97Å; T3-Y5 PolarHBondContact O-N 2.71Å; T3-Y5 WeakPolarHBondContact OG1-CD1 3.42Å; T3-Y5 WeakPolarHBondContact OG1-CE1 3.44Å; T3-Y5 WeakPolarHBondContact OG1-CE2 3.38Å; T3-G6 CarbonylContact C-O 3.58Å; T3-G6 PolarHBondContact N-O 2.81Å; T3-G6 CarbonylContact O-C 3.57Å; T3-G6 PolarHBondContact O-N 3.19Å; T3-G6 PolarHBondContact OG1-O 3.01Å; T3-F8 HydrophobicContact CG2-CE2 4.24Å; T3-P33 WeakPolarHBondContact O-CG 3.41Å
4	D	91.5	Very high	92	Very high	131 Å²	131	72.5 Å²	72.5	70%	0.701	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-19.4	-174.6	-50.8	-43.8	0	0	0	114.6
5	Y	90.6	Very high	91.7	Very high	107 Å²	107	85.1 Å²	85.1	42%	0.42	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-13.6	174.4	60	-94.3	0	0	0	114.3	T3 F8 L19 H21 R22	T3-Y5 HydrophobicContact CG2-CE1 3.97Å; T3-Y5 PolarHBondContact O-N 2.71Å; T3-Y5 WeakPolarHBondContact OG1-CD1 3.42Å; T3-Y5 WeakPolarHBondContact OG1-CE1 3.44Å; T3-Y5 WeakPolarHBondContact OG1-CE2 3.38Å; Y5-F8 AromaticContact CE2-CE2 3.94Å; Y5-F8 HydrophobicContact CE2-CE2 3.94Å; Y5-F8 HydrophobicContact CE2-CZ 4Å; Y5-F8 AromaticContact CZ-CE2 3.83Å; Y5-F8 WeakPolarHBondContact OH-CE2 3.44Å; Y5-F8 VanDerWaalsContact OH-CZ 3.24Å; Y5-F8 WeakPolarHBondContact OH-CZ 3.47Å; Y5-L19 HydrophobicContact CD2-CD1 4.01Å; Y5-L19 HydrophobicContact CD2-CD2 4.16Å; Y5-L19 HydrophobicContact CE2-CD1 3.68Å; Y5-L19 HydrophobicContact CE2-CD2 3.86Å; Y5-L19 HydrophobicContact CE2-CG 4.44Å; Y5-H21 PolarHBondContact O-CD2 3.46Å; Y5-H21 VanDerWaalsContact O-CD2 3.26Å; Y5-R22 PolarHBondContact O-N 3.06Å
6	G	93.6	Very high	91.6	Very high	0 Å²	0	85.4 Å²	85.4	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.6	-164.8	-176.6	0	0	0	0	0	115.5	T3 V20	T3-G6 CarbonylContact C-O 3.58Å; T3-G6 PolarHBondContact N-O 2.81Å; T3-G6 CarbonylContact O-C 3.57Å; T3-G6 PolarHBondContact O-N 3.19Å; T3-G6 PolarHBondContact OG1-O 3.01Å; G6-V20 CarbonylContact C-O 3.5Å; G6-V20 WeakPolarHBondContact CA-O 3Å
7	A	95.1	Very high	91.7	Very high	4 Å²	4	86.2 Å²	86.2	3%	0.033	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.5	-174.3	0	0	0	0	0	112.7	V20 M25 V37	A7-V20 PolarHBondContact N-O 3.41Å; A7-V20 PolarHBondContact O-N 3.37Å; A7-M25 HydrophobicContact CB-CE 4.28Å; A7-V37 HydrophobicContact CB-CG2 3.84Å
8	F	95.2	Very high	91.8	Very high	54 Å²	54	81.4 Å²	81.4	24%	0.237	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.3	170.7	-70	-85.1	0	0	0	111.3	M1 T3 Y5 Q17 G18 L19	M1-F8 HydrophobicContact CB-CB 4.38Å; M1-F8 HydrophobicContact CE-CD2 4.27Å; M1-F8 HydrophobicContact CE-CE2 4.23Å; M1-F8 PolarHBondContact N-O 3.45Å; M1-F8 VanDerWaalsContact N-O 3.11Å; M1-F8 PolarHBondContact O-N 3.4Å; T3-F8 HydrophobicContact CG2-CE2 4.24Å; Y5-F8 AromaticContact CE2-CE2 3.94Å; Y5-F8 HydrophobicContact CE2-CE2 3.94Å; Y5-F8 HydrophobicContact CE2-CZ 4Å; Y5-F8 AromaticContact CZ-CE2 3.83Å; Y5-F8 WeakPolarHBondContact OH-CE2 3.44Å; Y5-F8 VanDerWaalsContact OH-CZ 3.24Å; Y5-F8 WeakPolarHBondContact OH-CZ 3.47Å; F8-Q17 HydrophobicContact CD1-CB 4.43Å; F8-G18 WeakPolarHBondContact CA-O 3.45Å; F8-L19 HydrophobicContact CD1-CB 4.37Å; F8-L19 HydrophobicContact CD1-CD1 4.32Å; F8-L19 HydrophobicContact CD2-CD1 4.39Å; F8-L19 HydrophobicContact CE1-CB 4.16Å; F8-L19 HydrophobicContact CE1-CD1 4.09Å; F8-L19 HydrophobicContact CE2-CD1 4.17Å; F8-L19 HydrophobicContact CG-CD1 4.47Å; F8-L19 HydrophobicContact CZ-CD1 4.02Å
9	I	94.6	Very high	91.9	Very high	31 Å²	31	79.5 Å²	79.5	16%	0.159	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132	-178.9	-63.1	173.1	0	0	0	109.2	G18 V20 V43 V45 L61	I9-G18 PolarHBondContact N-O 3.38Å; I9-G18 PolarHBondContact O-N 3.4Å; I9-V20 HydrophobicContact CD1-CG2 3.55Å; I9-V20 HydrophobicContact CG1-CG2 4.46Å; I9-V43 HydrophobicContact CD1-CG2 3.63Å; I9-V43 HydrophobicContact CG1-CG2 4.42Å; I9-V45 HydrophobicContact CD1-CG1 3.62Å; I9-L61 HydrophobicContact CB-CD1 4.19Å
10	K	93.9	Very high	92.1	Very high	168 Å²	168	75.6 Å²	75.6	73%	0.73	39%	0.391	S	S	*	.			trans	-84.2	112.8	172.2	-68.2	-179.9	178.6	179.5	0	108.4	Q17	K10-Q17 HydrophobicContact CG-CG 4.22Å
11	I	92.2	Very high	92.2	Very high	49 Å²	49	74.9 Å²	74.9	25%	0.251	39%	0.386	S	S	.	.			trans	-83.9	127.3	175.8	-51.5	170.7	0	0	0	107.9	C14 V59 L61	I11-C14 HydrophobicContact CB-CB 3.97Å; I11-C14 HydrophobicContact CG2-CB 4.44Å; I11-C14 PolarHBondContact O-N 3.25Å; I11-C14 VanDerWaalsContact O-N 3.16Å; I11-V59 HydrophobicContact CD1-CG1 4.08Å; I11-L61 HydrophobicContact CD1-CD1 4.17Å; I11-L61 HydrophobicContact CD1-CD2 4.14Å; I11-L61 HydrophobicContact CG1-CD1 4.32Å
12	P	91.6	Very high	92.4	Very high	123 Å²	123	74.5 Å²	74.5	80%	0.799	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	140.3	175.4	25.7	-34	0	0	0	110.6	C14	P12-C14 PolarHBondContact O-N 3.39Å
13	G	88.9	Confident	92.4	Very high	91 Å²	91	75.7 Å²	75.7	94%	0.938	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	-6.4	-175.8	0	0	0	0	0	115.8
14	C	86.8	Confident	92.4	Very high	73 Å²	73	75.3 Å²	75.3	49%	0.493	38%	0.381	S	S	.	.			trans	-100.7	131.4	176.1	-67.9	0	0	0	0	112.2	I11 P12 K16	I11-C14 HydrophobicContact CB-CB 3.97Å; I11-C14 HydrophobicContact CG2-CB 4.44Å; I11-C14 PolarHBondContact O-N 3.25Å; I11-C14 VanDerWaalsContact O-N 3.16Å; P12-C14 PolarHBondContact O-N 3.39Å; C14-K16 PolarHBondContact O-N 2.98Å
15	R	86.9	Confident	92.5	Very high	262 Å²	262	69.4 Å²	69.4	99%	0.989	35%	0.349	S	S	*	.	S	Bend	trans	-69.7	-17.2	171.6	-77.5	-175.4	167.1	-173.6	-4.8	114.2
16	K	90.5	Very high	92.5	Very high	89 Å²	89	65.7 Å²	65.7	39%	0.387	34%	0.339	S	S	.	.	S	Bend	trans	-119.7	148.9	-176.4	-70	178.6	178.8	174.1	0	110.5	C14 D55 I57	C14-K16 PolarHBondContact O-N 2.98Å; K16-D55 PolarHBondContact NZ-O 2.91Å; K16-I57 HydrophobicContact CD-CB 3.75Å; K16-I57 HydrophobicContact CD-CD1 4.11Å; K16-I57 HydrophobicContact CD-CG1 4.22Å
17	Q	92.6	Very high	92.3	Very high	99 Å²	99	70.8 Å²	70.8	46%	0.463	38%	0.375	S	S	.	.			trans	-84.7	146	-179.1	-55.3	-179.2	25.6	0	0	110.1	F8 K10	F8-Q17 HydrophobicContact CD1-CB 4.43Å; K10-Q17 HydrophobicContact CG-CG 4.22Å
18	G	94.1	Very high	92	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	148.9	171.6	0	0	0	0	0	111.5	F8 I9 V59	F8-G18 WeakPolarHBondContact CA-O 3.45Å; I9-G18 PolarHBondContact N-O 3.38Å; I9-G18 PolarHBondContact O-N 3.4Å; G18-V59 WeakPolarHBondContact CA-O 3.38Å
19	L	94.7	Very high	91.6	Very high	46 Å²	46	83.5 Å²	83.5	24%	0.241	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125	176.7	176.6	61.6	0	0	0	110	Y5 F8 V59 L61	Y5-L19 HydrophobicContact CD2-CD1 4.01Å; Y5-L19 HydrophobicContact CD2-CD2 4.16Å; Y5-L19 HydrophobicContact CE2-CD1 3.68Å; Y5-L19 HydrophobicContact CE2-CD2 3.86Å; Y5-L19 HydrophobicContact CE2-CG 4.44Å; F8-L19 HydrophobicContact CD1-CB 4.37Å; F8-L19 HydrophobicContact CD1-CD1 4.32Å; F8-L19 HydrophobicContact CD2-CD1 4.39Å; F8-L19 HydrophobicContact CE1-CB 4.16Å; F8-L19 HydrophobicContact CE1-CD1 4.09Å; F8-L19 HydrophobicContact CE2-CD1 4.17Å; F8-L19 HydrophobicContact CG-CD1 4.47Å; F8-L19 HydrophobicContact CZ-CD1 4.02Å; L19-V59 PolarHBondContact N-O 2.83Å; L19-L61 PolarHBondContact O-N 2.99Å
20	V	95.3	Very high	91.3	Very high	0 Å²	0	83 Å²	83	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	116.7	162.8	-174.2	0	0	0	0	107.5	G6 A7 I9 H24 M25 V45 L61 M63	G6-V20 CarbonylContact C-O 3.5Å; G6-V20 WeakPolarHBondContact CA-O 3Å; A7-V20 PolarHBondContact N-O 3.41Å; A7-V20 PolarHBondContact O-N 3.37Å; I9-V20 HydrophobicContact CD1-CG2 3.55Å; I9-V20 HydrophobicContact CG1-CG2 4.46Å; V20-H24 HydrophobicContact CG1-CB 4.05Å; V20-M25 HydrophobicContact CB-CG 4.33Å; V20-M25 HydrophobicContact CG1-CB 4.36Å; V20-M25 HydrophobicContact CG1-CG 3.52Å; V20-V45 HydrophobicContact CG2-CG1 4.12Å; V20-L61 HydrophobicContact CG2-CB 3.58Å; V20-L61 HydrophobicContact CG2-CD1 4.44Å; V20-M63 HydrophobicContact CG1-CG 4.15Å; V20-M63 HydrophobicContact CG1-SD 4.23Å; V20-M63 HydrophobicContact CG2-CG 4.15Å; V20-M63 HydrophobicContact CG2-SD 4.37Å
21	H	94	Very high	91.1	Very high	61 Å²	61	80.9 Å²	80.9	28%	0.282	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	151.4	172.3	-173.7	-113.1	0	0	0	110.6	Y5 T23 H24 M25	Y5-H21 PolarHBondContact O-CD2 3.46Å; Y5-H21 VanDerWaalsContact O-CD2 3.26Å; H21-T23 VanDerWaalsContact C-N 3.26Å; H21-T23 PolarHBondContact CE1-OG1 2.76Å; H21-T23 VanDerWaalsContact CE1-OG1 3.28Å; H21-T23 PolarHBondContact ND1-OG1 3.48Å; H21-T23 PolarHBondContact O-N 3.06Å; H21-T23 VanDerWaalsContact O-N 3.09Å; H21-H24 CarbonylContact O-C 3.57Å; H21-H24 WeakPolarHBondContact O-CA 3.48Å; H21-H24 WeakPolarHBondContact O-CB 3.45Å; H21-H24 PolarHBondContact O-N 2.88Å; H21-M25 PolarHBondContact O-N 2.82Å
22	R	92.9	Very high	91.1	Very high	119 Å²	119	84.4 Å²	84.4	45%	0.449	44%	0.443	S	S	.	.	H	α-helix	trans	-48.7	-40.9	-179	64	-178.1	-178.7	-159	1.2	114.7	Y5 H24 M25	Y5-R22 PolarHBondContact O-N 3.06Å; R22-H24 PolarHBondContact O-N 3.11Å; R22-M25 WeakPolarHBondContact O-CB 3.27Å; R22-M25 PolarHBondContact O-N 3Å; R22-M25 VanDerWaalsContact O-N 3.17Å
23	T	92	Very high	91.1	Very high	60 Å²	60	78.6 Å²	78.6	37%	0.368	41%	0.405	S	S	.	.	H	α-helix	trans	-71.4	-7.2	177.2	-19.7	0	0	0	0	115	H21 K64 E84	H21-T23 VanDerWaalsContact C-N 3.26Å; H21-T23 PolarHBondContact CE1-OG1 2.76Å; H21-T23 VanDerWaalsContact CE1-OG1 3.28Å; H21-T23 PolarHBondContact ND1-OG1 3.48Å; H21-T23 PolarHBondContact O-N 3.06Å; H21-T23 VanDerWaalsContact O-N 3.09Å; T23-K64 PolarHBondContact O-NZ 3.15Å; T23-K64 VanDerWaalsContact O-NZ 3.07Å; T23-E84 WeakPolarHBondContact CG2-OE1 3.34Å
24	H	93.1	Very high	91.2	Very high	14 Å²	14	77.2 Å²	77.2	7%	0.065	38%	0.381	C	S	.	.	H	α-helix	trans	-110.4	-3.5	176.1	-68.1	-55.4	0	0	0	112.3	V20 H21 R22 I48 S62 M63 K64 E84	V20-H24 HydrophobicContact CG1-CB 4.05Å; H21-H24 CarbonylContact O-C 3.57Å; H21-H24 WeakPolarHBondContact O-CA 3.48Å; H21-H24 WeakPolarHBondContact O-CB 3.45Å; H21-H24 PolarHBondContact O-N 2.88Å; R22-H24 PolarHBondContact O-N 3.11Å; H24-I48 HydrophobicContact CB-CD1 4.48Å; H24-S62 WeakPolarHBondContact CB-OG 3.45Å; H24-S62 PolarHBondContact CE1-OG 3.07Å; H24-S62 PolarHBondContact ND1-OG 3.05Å; H24-S62 VanDerWaalsContact ND1-OG 3.15Å; H24-M63 PolarHBondContact O-N 2.64Å; H24-K64 WeakPolarHBondContact CE1-CE 3.25Å; H24-K64 PolarHBondContact CE1-NZ 2.89Å; H24-K64 PolarHBondContact O-N 2.66Å; H24-K64 VanDerWaalsContact O-N 3.12Å; H24-E84 IonicContact CE1-OE2 2.68Å; H24-E84 IonicContact ND1-OE2 3.37Å; H24-E84 IonicContact NE2-OE2 3.8Å; H24-E84 PolarHBondContact NE2-OE2 2.92Å
25	M	93.1	Very high	91.3	Very high	7 Å²	7	80.4 Å²	80.4	3%	0.034	39%	0.389	C	S	.	.	H	α-helix	trans	-76.8	-42.5	176.2	-66.2	-179.6	69.6	0	0	112.3	A7 V20 H21 R22 P33 I36 V37 M63	A7-M25 HydrophobicContact CB-CE 4.28Å; V20-M25 HydrophobicContact CB-CG 4.33Å; V20-M25 HydrophobicContact CG1-CB 4.36Å; V20-M25 HydrophobicContact CG1-CG 3.52Å; H21-M25 PolarHBondContact O-N 2.82Å; R22-M25 WeakPolarHBondContact O-CB 3.27Å; R22-M25 PolarHBondContact O-N 3Å; R22-M25 VanDerWaalsContact O-N 3.17Å; M25-P33 HydrophobicContact CE-CB 3.74Å; M25-P33 HydrophobicContact SD-CB 3.45Å; M25-P33 WeakPolarHBondContact SD-CB 3.18Å; M25-I36 HydrophobicContact CE-CB 4.15Å; M25-I36 HydrophobicContact CE-CG2 4.41Å; M25-V37 HydrophobicContact CE-CG1 4.26Å; M25-V37 HydrophobicContact CE-CG2 3.56Å; M25-M63 WeakPolarHBondContact O-CB 3.33Å
26	S	92	Very high	91.5	Very high	30 Å²	30	71.4 Å²	71.4	21%	0.21	36%	0.36	C	S	.	.			trans	-140.9	168.6	175	92.7	0	0	0	0	111.6	C28 V30	S26-C28 VanDerWaalsContact C-N 3.29Å; S26-C28 PolarHBondContact OG-N 2.92Å; S26-C28 PolarHBondContact OG-O 3.11Å; S26-C28 VanDerWaalsContact OG-O 3.06Å; S26-V30 WeakPolarHBondContact OG-CG2 3.37Å
27	S	88.4	Confident	91.6	Very high	107 Å²	107	67.7 Å²	67.7	75%	0.748	34%	0.344	S	S	*	.	S	Bend	trans	-76.9	-17.2	172.3	-51	0	0	0	0	112.9
28	C	88.5	Confident	91.6	Very high	98 Å²	98	68.5 Å²	68.5	66%	0.662	35%	0.352	S	S	*	.	S	Bend	trans	-90.9	164.7	177.3	-65.2	0	0	0	0	111	S26 V30	S26-C28 VanDerWaalsContact C-N 3.29Å; S26-C28 PolarHBondContact OG-N 2.92Å; S26-C28 PolarHBondContact OG-O 3.11Å; S26-C28 VanDerWaalsContact OG-O 3.06Å; C28-V30 PolarHBondContact O-N 2.86Å
29	R	87.1	Confident	91.6	Very high	226 Å²	226	74.1 Å²	74.1	85%	0.853	39%	0.386	S	S	*	.			trans	-67.5	129.2	170.9	-176.3	172.2	176.1	155.4	0.7	109.4	D31	R29-D31 IonicContact NE-OD1 3.6Å
30	V	88.9	Confident	91.6	Very high	20 Å²	20	75.2 Å²	75.2	12%	0.121	41%	0.408	C	S	.	.			trans	-114.4	117.4	179.8	179.8	0	0	0	0	108.5	S26 C28 I36	S26-V30 WeakPolarHBondContact OG-CG2 3.37Å; C28-V30 PolarHBondContact O-N 2.86Å; V30-I36 HydrophobicContact CB-CD1 4.06Å; V30-I36 HydrophobicContact CG1-CD1 3.46Å; V30-I36 VanDerWaalsContact CG1-CD1 3.46Å; V30-I36 HydrophobicContact CG1-CG1 4.37Å; V30-I36 HydrophobicContact CG2-CD1 3.39Å
31	D	90.5	Very high	91.5	Very high	124 Å²	124	79.5 Å²	79.5	66%	0.663	43%	0.431	S	S	*	.	S	Bend	trans	-87.9	-42.5	175.2	-62.4	-43.8	0	0	0	111.5	R29	R29-D31 IonicContact NE-OD1 3.6Å
32	K	91	Very high	91.4	Very high	123 Å²	123	86.4 Å²	86.4	54%	0.535	46%	0.461	S	S	.	.			trans	-120.6	117.4	174.5	-57.2	-161.5	-145.1	107	0	111.9	S34 E35	K32-S34 VanDerWaalsContact C-N 3.27Å; K32-S34 PolarHBondContact O-N 3.02Å; K32-E35 HydrophobicContact CB-CG 4.1Å; K32-E35 WeakPolarHBondContact CD-OE1 3.16Å; K32-E35 IonicContact NZ-OE1 2.71Å; K32-E35 PolarHBondContact NZ-OE1 3.2Å; K32-E35 PolarHBondContact O-N 3.49Å
33	P	91.6	Very high	91.5	Very high	1 Å²	1	82.7 Å²	82.7	1%	0.006	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-70.9	-22.8	179.4	26.4	-31.1	0	0	0	113.3	V2 T3 M25 E35 I36 V37	V2-P33 HydrophobicContact CG1-CB 4.15Å; V2-P33 HydrophobicContact CG1-CG 4.16Å; T3-P33 WeakPolarHBondContact O-CG 3.41Å; M25-P33 HydrophobicContact CE-CB 3.74Å; M25-P33 HydrophobicContact SD-CB 3.45Å; M25-P33 WeakPolarHBondContact SD-CB 3.18Å; P33-E35 PolarHBondContact O-N 2.86Å; P33-I36 PolarHBondContact O-N 3.12Å; P33-V37 PolarHBondContact O-N 2.87Å
34	S	91.6	Very high	91.6	Very high	63 Å²	63	86.7 Å²	86.7	44%	0.441	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-68.3	-9.6	176.4	-40.9	0	0	0	0	114.5	K32	K32-S34 VanDerWaalsContact C-N 3.27Å; K32-S34 PolarHBondContact O-N 3.02Å
35	E	89.4	Confident	91.7	Very high	139 Å²	139	88.1 Å²	88.1	65%	0.65	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-90.3	-6.1	175.4	-65.3	172.4	-167.6	0	0	112.1	K32 P33	K32-E35 HydrophobicContact CB-CG 4.1Å; K32-E35 WeakPolarHBondContact CD-OE1 3.16Å; K32-E35 IonicContact NZ-OE1 2.71Å; K32-E35 PolarHBondContact NZ-OE1 3.2Å; K32-E35 PolarHBondContact O-N 3.49Å; P33-E35 PolarHBondContact O-N 2.86Å
36	I	90.7	Very high	91.7	Very high	73 Å²	73	89.3 Å²	89.3	37%	0.374	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-36	-174.8	-54.7	-175.1	0	0	0	112.3	M25 V30 P33	M25-I36 HydrophobicContact CE-CB 4.15Å; M25-I36 HydrophobicContact CE-CG2 4.41Å; V30-I36 HydrophobicContact CB-CD1 4.06Å; V30-I36 HydrophobicContact CG1-CD1 3.46Å; V30-I36 VanDerWaalsContact CG1-CD1 3.46Å; V30-I36 HydrophobicContact CG1-CG1 4.37Å; V30-I36 HydrophobicContact CG2-CD1 3.39Å; P33-I36 PolarHBondContact O-N 3.12Å
37	V	92.6	Very high	91.8	Very high	11 Å²	11	92.7 Å²	92.7	7%	0.067	49%	0.489	C	S	.	.			trans	-140.8	137.8	-179.2	-60.5	0	0	0	0	110.8	V2 A7 M25 P33 V43 M63	V2-V37 HydrophobicContact CG2-CG2 4.13Å; A7-V37 HydrophobicContact CB-CG2 3.84Å; M25-V37 HydrophobicContact CE-CG1 4.26Å; M25-V37 HydrophobicContact CE-CG2 3.56Å; P33-V37 PolarHBondContact O-N 2.87Å; V37-V43 HydrophobicContact CG1-CG1 4.24Å; V37-M63 HydrophobicContact CG1-CE 3.7Å; V37-M63 HydrophobicContact CG1-SD 4.24Å
38	D	93.3	Very high	92	Very high	116 Å²	116	89.9 Å²	89.9	62%	0.62	47%	0.465	S	S	*	.			trans	-105.1	166.7	174.7	-87.2	-49.1	0	0	0	112.4	G40 D41	D38-G40 PolarHBondContact O-N 3.28Å; D38-D41 PolarHBondContact N-OD2 3.17Å; D38-D41 PolarHBondContact O-N 3.02Å
39	V	94	Very high	92.1	Very high	118 Å²	118	86.6 Å²	86.6	72%	0.715	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	93.4	179.4	-176.5	0	0	0	0	110.2	V2	V2-V39 HydrophobicContact CG2-CG2 4.27Å
40	G	93	Very high	92.3	Very high	69 Å²	69	83.9 Å²	83.9	71%	0.711	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	147.1	-18.2	178.5	0	0	0	0	0	112.9	D38	D38-G40 PolarHBondContact O-N 3.28Å
41	D	93.7	Very high	92.4	Very high	90 Å²	90	87.1 Å²	87.1	48%	0.481	45%	0.452	S	S	.	.			trans	-64.8	144	-174.1	-65.4	-19.3	0	0	0	113.6	D38 V43	D38-D41 PolarHBondContact N-OD2 3.17Å; D38-D41 PolarHBondContact O-N 3.02Å; D41-V43 HydrophobicContact CB-CG1 4.41Å
42	K	92.8	Very high	92.4	Very high	207 Å²	207	87 Å²	87	90%	0.9	45%	0.448	S	S	*	.			trans	-98.4	106.9	172.9	-64.9	-179.9	-177.2	176.7	0	108.4
43	V	93.8	Very high	92.4	Very high	40 Å²	40	87.5 Å²	87.5	24%	0.242	45%	0.451	C	S	.	.			trans	-118.9	149	-179.7	-65.8	0	0	0	0	111.2	I9 V37 D41 M63	I9-V43 HydrophobicContact CD1-CG2 3.63Å; I9-V43 HydrophobicContact CG1-CG2 4.42Å; V37-V43 HydrophobicContact CG1-CG1 4.24Å; D41-V43 HydrophobicContact CB-CG1 4.41Å; V43-M63 HydrophobicContact CB-CE 4Å; V43-M63 HydrophobicContact CG1-CE 3.9Å; V43-M63 HydrophobicContact CG2-CE 4.28Å; V43-M63 HydrophobicContact CG2-SD 4.4Å
44	W	94.6	Very high	91.9	Very high	144 Å²	144	94.9 Å²	94.9	55%	0.545	49%	0.49	S	S	.	.			trans	-89.9	135	175.7	-64.9	95.3	0	0	0	110.6	V66 Q68	W44-V66 HydrophobicContact CB-CB 4.46Å; W44-V66 HydrophobicContact CB-CG1 3.61Å; W44-Q68 VanDerWaalsContact CD1-O 3.24Å; W44-Q68 PolarHBondContact O-NE2 3.28Å; W44-Q68 PolarHBondContact O-OE1 2.9Å
45	V	94.9	Very high	91.5	Very high	44 Å²	44	98.3 Å²	98.3	27%	0.267	50%	0.503	S	S	.	.			trans	-140.7	143	-174.1	-77.4	0	0	0	0	112	I9 V20 L61 S62 M63	I9-V45 HydrophobicContact CD1-CG1 3.62Å; V20-V45 HydrophobicContact CG2-CG1 4.12Å; V45-L61 HydrophobicContact CB-CB 4.43Å; V45-L61 HydrophobicContact CB-CD1 4.49Å; V45-L61 HydrophobicContact CG2-CD1 4.17Å; V45-S62 WeakPolarHBondContact CA-O 3.37Å; V45-M63 HydrophobicContact CG1-CG 3.5Å
46	K	93.7	Very high	91.3	Very high	33 Å²	33	101.8 Å²	101.8	14%	0.143	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.5	172.1	178.6	161.1	166.8	-179.3	0	109.9	I48 L61 S62 V65 V66 D73 D75 N78	K46-I48 PolarHBondContact O-N 3.25Å; K46-L61 WeakPolarHBondContact O-CA 3.24Å; K46-S62 PolarHBondContact N-O 3.13Å; K46-S62 PolarHBondContact O-N 3.2Å; K46-V65 HydrophobicContact CB-CG2 3.62Å; K46-V65 HydrophobicContact CD-CG2 3.73Å; K46-V65 HydrophobicContact CG-CG2 4.08Å; K46-V66 HydrophobicContact CB-CG2 3.49Å; K46-V66 VanDerWaalsContact CB-CG2 3.49Å; K46-D73 WeakPolarHBondContact CD-OD1 3.23Å; K46-D73 WeakPolarHBondContact CE-OD2 3.18Å; K46-D73 IonicContact NZ-OD1 3.4Å; K46-D73 PolarHBondContact NZ-OD1 3.44Å; K46-D73 IonicContact NZ-OD2 3.34Å; K46-D73 PolarHBondContact NZ-OD2 2.79Å; K46-D75 PolarHBondContact NZ-O 3.16Å; K46-N78 WeakPolarHBondContact CE-OD1 3.37Å; K46-N78 PolarHBondContact NZ-OD1 3.02Å
47	L	93.2	Very high	91.2	Very high	100 Å²	100	100.3 Å²	100.3	52%	0.524	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	119.1	173.4	-178.3	63.6	0	0	0	109.1	V59 L61	L47-V59 HydrophobicContact CD1-CG1 3.58Å; L47-L61 HydrophobicContact CB-CD2 4.48Å; L47-L61 HydrophobicContact CD1-CD2 4.01Å
48	I	92.6	Very high	91.1	Very high	49 Å²	49	105.7 Å²	105.7	25%	0.251	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-48.6	176.2	-54.1	175.1	0	0	0	109.9	H24 K46 S60 S62 I81	H24-I48 HydrophobicContact CB-CD1 4.48Å; K46-I48 PolarHBondContact O-N 3.25Å; I48-S60 WeakPolarHBondContact CB-O 3.43Å; I48-S60 PolarHBondContact N-O 3.09Å; I48-S62 WeakPolarHBondContact CD1-OG 3.48Å; I48-I81 HydrophobicContact CG1-CD1 4.31Å; I48-I81 HydrophobicContact CG2-CD1 4.39Å; I48-I81 HydrophobicContact CG2-CG2 3.53Å
49	G	90.8	Very high	91.1	Very high	29 Å²	29	101 Å²	101	30%	0.299	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	150.9	-169.6	0	0	0	0	0	111.7	S60	G49-S60 PolarHBondContact N-O 2.91Å; G49-S60 PolarHBondContact O-N 2.87Å
50	R	91.9	Very high	91.2	Very high	168 Å²	168	97.5 Å²	97.5	63%	0.634	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.6	178.8	177.1	-179.8	172.9	-173.4	-3.8	108.5	I57 K58	R50-I57 HydrophobicContact CG-CG2 4.06Å; R50-K58 WeakPolarHBondContact CA-O 3.14Å
51	E	90.9	Very high	91.2	Very high	89 Å²	89	94.4 Å²	94.4	42%	0.416	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.3	170.3	-73.5	-176.9	-133.9	0	0	109.8	K53 I57 K58	E51-K53 IonicContact OE2-NZ 2.68Å; E51-K53 PolarHBondContact OE2-NZ 2.9Å; E51-I57 CarbonylContact O-C 3.52Å; E51-I57 VanDerWaalsContact O-CA 3.28Å; E51-I57 WeakPolarHBondContact O-CA 2.7Å; E51-K58 HydrophobicContact CB-CB 4.42Å; E51-K58 PolarHBondContact N-O 3.06Å; E51-K58 PolarHBondContact O-N 3.25Å
52	M	90.8	Very high	91.3	Very high	120 Å²	120	90.1 Å²	90.1	59%	0.591	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	112.2	170.8	179.6	158.4	171.3	0	0	108	I57	M52-I57 HydrophobicContact CB-CG1 4.17Å; M52-I57 HydrophobicContact CE-CD1 4.49Å; M52-I57 HydrophobicContact CG-CD1 4.45Å; M52-I57 HydrophobicContact CG-CG1 3.83Å; M52-I57 HydrophobicContact SD-CD1 3.81Å; M52-I57 HydrophobicContact SD-CG1 3.87Å
53	K	90.1	Very high	91.4	Very high	135 Å²	135	80.8 Å²	80.8	59%	0.587	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	121.5	-179.9	-73.5	174.3	176.8	152.9	0	108.3	E51 D55 R56	E51-K53 IonicContact OE2-NZ 2.68Å; E51-K53 PolarHBondContact OE2-NZ 2.9Å; K53-D55 PolarHBondContact O-N 3.26Å; K53-R56 PolarHBondContact N-O 2.94Å; K53-R56 WeakPolarHBondContact O-CA 3.39Å; K53-R56 WeakPolarHBondContact O-CB 3.49Å; K53-R56 PolarHBondContact O-N 2.92Å; K53-R56 VanDerWaalsContact O-O 3.08Å
54	N	81.7	Confident	91.3	Very high	155 Å²	155	80.6 Å²	80.6	83%	0.829	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	61.5	172.1	-52.4	0.6	0	0	0	112	R56	N54-R56 PolarHBondContact O-N 2.9Å
55	D	82.1	Confident	91.3	Very high	135 Å²	135	73.8 Å²	73.8	72%	0.722	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	-13.7	-173.5	-73.2	-69.2	0	0	0	118.2	K16 K53 I57	K16-D55 PolarHBondContact NZ-O 2.91Å; K53-D55 PolarHBondContact O-N 3.26Å; D55-I57 PolarHBondContact O-N 3.4Å
56	R	85.8	Confident	91.3	Very high	213 Å²	213	72.4 Å²	72.4	80%	0.804	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.2	171.5	-59	-178.5	-176.7	-176.8	0.9	108.4	K53 N54	K53-R56 PolarHBondContact N-O 2.94Å; K53-R56 WeakPolarHBondContact O-CA 3.39Å; K53-R56 WeakPolarHBondContact O-CB 3.49Å; K53-R56 PolarHBondContact O-N 2.92Å; K53-R56 VanDerWaalsContact O-O 3.08Å; N54-R56 PolarHBondContact O-N 2.9Å
57	I	89.1	Confident	91.3	Very high	41 Å²	41	73.7 Å²	73.7	21%	0.21	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119	174.2	-58	171.5	0	0	0	106.3	K16 R50 E51 M52 D55 V59	K16-I57 HydrophobicContact CD-CB 3.75Å; K16-I57 HydrophobicContact CD-CD1 4.11Å; K16-I57 HydrophobicContact CD-CG1 4.22Å; R50-I57 HydrophobicContact CG-CG2 4.06Å; E51-I57 CarbonylContact O-C 3.52Å; E51-I57 VanDerWaalsContact O-CA 3.28Å; E51-I57 WeakPolarHBondContact O-CA 2.7Å; M52-I57 HydrophobicContact CB-CG1 4.17Å; M52-I57 HydrophobicContact CE-CD1 4.49Å; M52-I57 HydrophobicContact CG-CD1 4.45Å; M52-I57 HydrophobicContact CG-CG1 3.83Å; M52-I57 HydrophobicContact SD-CD1 3.81Å; M52-I57 HydrophobicContact SD-CG1 3.87Å; D55-I57 PolarHBondContact O-N 3.4Å; I57-V59 HydrophobicContact CG2-CG2 4Å
58	K	90.8	Very high	91.2	Very high	124 Å²	124	72.6 Å²	72.6	54%	0.539	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.8	175.2	-169.4	-172.4	-64.8	172.6	0	107.9	R50 E51	R50-K58 WeakPolarHBondContact CA-O 3.14Å; E51-K58 HydrophobicContact CB-CB 4.42Å; E51-K58 PolarHBondContact N-O 3.06Å; E51-K58 PolarHBondContact O-N 3.25Å
59	V	93.6	Very high	91.2	Very high	18 Å²	18	73.6 Å²	73.6	11%	0.109	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.8	-178.3	179.3	0	0	0	0	107.8	I11 G18 L19 L47 I57 L61	I11-V59 HydrophobicContact CD1-CG1 4.08Å; G18-V59 WeakPolarHBondContact CA-O 3.38Å; L19-V59 PolarHBondContact N-O 2.83Å; L47-V59 HydrophobicContact CD1-CG1 3.58Å; I57-V59 HydrophobicContact CG2-CG2 4Å; V59-L61 HydrophobicContact CG1-CD2 4.11Å; V59-L61 HydrophobicContact CG1-CG 4.35Å
60	S	94.3	Very high	91.3	Very high	45 Å²	45	76.5 Å²	76.5	32%	0.315	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.4	-178.4	-62.1	0	0	0	0	110	I48 G49	I48-S60 WeakPolarHBondContact CB-O 3.43Å; I48-S60 PolarHBondContact N-O 3.09Å; G49-S60 PolarHBondContact N-O 2.91Å; G49-S60 PolarHBondContact O-N 2.87Å
61	L	94.7	Very high	91.3	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.2	-175.2	-63.3	178.4	0	0	0	111.5	I9 I11 L19 V20 V45 K46 L47 V59	I9-L61 HydrophobicContact CB-CD1 4.19Å; I11-L61 HydrophobicContact CD1-CD1 4.17Å; I11-L61 HydrophobicContact CD1-CD2 4.14Å; I11-L61 HydrophobicContact CG1-CD1 4.32Å; L19-L61 PolarHBondContact O-N 2.99Å; V20-L61 HydrophobicContact CG2-CB 3.58Å; V20-L61 HydrophobicContact CG2-CD1 4.44Å; V45-L61 HydrophobicContact CB-CB 4.43Å; V45-L61 HydrophobicContact CB-CD1 4.49Å; V45-L61 HydrophobicContact CG2-CD1 4.17Å; K46-L61 WeakPolarHBondContact O-CA 3.24Å; L47-L61 HydrophobicContact CB-CD2 4.48Å; L47-L61 HydrophobicContact CD1-CD2 4.01Å; V59-L61 HydrophobicContact CG1-CD2 4.11Å; V59-L61 HydrophobicContact CG1-CG 4.35Å
62	S	95.1	Very high	91.4	Very high	0 Å²	0	72 Å²	72	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.3	169.1	-99.6	0	0	0	0	111.4	H24 V45 K46 I48	H24-S62 WeakPolarHBondContact CB-OG 3.45Å; H24-S62 PolarHBondContact CE1-OG 3.07Å; H24-S62 PolarHBondContact ND1-OG 3.05Å; H24-S62 VanDerWaalsContact ND1-OG 3.15Å; V45-S62 WeakPolarHBondContact CA-O 3.37Å; K46-S62 PolarHBondContact N-O 3.13Å; K46-S62 PolarHBondContact O-N 3.2Å; I48-S62 WeakPolarHBondContact CD1-OG 3.48Å
63	M	94.3	Very high	91.6	Very high	11 Å²	11	69.9 Å²	69.9	5%	0.054	37%	0.365	C	S	.	.	S	Bend	trans	-96.4	-34.6	166.8	-67.3	171.1	61.5	0	0	111.5	V20 H24 M25 V37 V43 V45 V65 V66 Q68	V20-M63 HydrophobicContact CG1-CG 4.15Å; V20-M63 HydrophobicContact CG1-SD 4.23Å; V20-M63 HydrophobicContact CG2-CG 4.15Å; V20-M63 HydrophobicContact CG2-SD 4.37Å; H24-M63 PolarHBondContact O-N 2.64Å; M25-M63 WeakPolarHBondContact O-CB 3.33Å; V37-M63 HydrophobicContact CG1-CE 3.7Å; V37-M63 HydrophobicContact CG1-SD 4.24Å; V43-M63 HydrophobicContact CB-CE 4Å; V43-M63 HydrophobicContact CG1-CE 3.9Å; V43-M63 HydrophobicContact CG2-CE 4.28Å; V43-M63 HydrophobicContact CG2-SD 4.4Å; V45-M63 HydrophobicContact CG1-CG 3.5Å; M63-V65 PolarHBondContact O-N 2.9Å; M63-V65 VanDerWaalsContact O-N 3.13Å; M63-V66 PolarHBondContact O-N 2.66Å; M63-V66 VanDerWaalsContact O-O 3.11Å; M63-Q68 PolarHBondContact O-NE2 3.16Å
64	K	93.1	Very high	91.6	Very high	35 Å²	35	68.4 Å²	68.4	15%	0.152	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.1	-173.9	71.8	179.7	178.6	-169.9	0	115.8	T23 H24 E84	T23-K64 PolarHBondContact O-NZ 3.15Å; T23-K64 VanDerWaalsContact O-NZ 3.07Å; H24-K64 WeakPolarHBondContact CE1-CE 3.25Å; H24-K64 PolarHBondContact CE1-NZ 2.89Å; H24-K64 PolarHBondContact O-N 2.66Å; H24-K64 VanDerWaalsContact O-N 3.12Å; K64-E84 IonicContact NZ-OE2 2.99Å; K64-E84 PolarHBondContact NZ-OE2 3.44Å
65	V	93.4	Very high	92	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	6.6	179.9	-57.4	0	0	0	0	112.8	K46 M63 L74 D75 I81	K46-V65 HydrophobicContact CB-CG2 3.62Å; K46-V65 HydrophobicContact CD-CG2 3.73Å; K46-V65 HydrophobicContact CG-CG2 4.08Å; M63-V65 PolarHBondContact O-N 2.9Å; M63-V65 VanDerWaalsContact O-N 3.13Å; V65-L74 WeakPolarHBondContact O-CB 2.97Å; V65-L74 PolarHBondContact O-N 3.34Å; V65-D75 HydrophobicContact CB-CB 4.06Å; V65-D75 HydrophobicContact CG1-CB 3.99Å; V65-I81 HydrophobicContact CG1-CD1 4.36Å; V65-I81 HydrophobicContact CG1-CG1 4.34Å
66	V	94.5	Very high	92.3	Very high	15 Å²	15	59.6 Å²	59.6	9%	0.091	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-129.6	132.1	-178.2	-168.9	0	0	0	0	110.3	W44 K46 M63 Q68	W44-V66 HydrophobicContact CB-CB 4.46Å; W44-V66 HydrophobicContact CB-CG1 3.61Å; K46-V66 HydrophobicContact CB-CG2 3.49Å; K46-V66 VanDerWaalsContact CB-CG2 3.49Å; M63-V66 PolarHBondContact O-N 2.66Å; M63-V66 VanDerWaalsContact O-O 3.11Å; V66-Q68 PolarHBondContact O-N 2.94Å; V66-Q68 PolarHBondContact O-NE2 3.34Å
67	N	93.8	Very high	92.5	Very high	61 Å²	61	55.4 Å²	55.4	33%	0.326	31%	0.314	S	S	.	.			trans	-70.9	121.4	174.1	-173	-73.3	0	0	0	110.4	G69 T70 G71 K72 L74	N67-G69 VanDerWaalsContact C-N 3.31Å; N67-G69 PolarHBondContact O-N 3.38Å; N67-G69 WeakPolarHBondContact OD1-CA 3.35Å; N67-G69 PolarHBondContact OD1-N 2.49Å; N67-T70 PolarHBondContact OD1-N 3.23Å; N67-G71 VanDerWaalsContact O-CA 3.27Å; N67-G71 WeakPolarHBondContact O-CA 3.44Å; N67-G71 PolarHBondContact O-N 3.14Å; N67-K72 PolarHBondContact N-O 3.5Å; N67-L74 HydrophobicContact CB-CD1 4.37Å; N67-L74 HydrophobicContact CB-CD2 4.17Å; N67-L74 HydrophobicContact CB-CG 4.32Å
68	Q	92.1	Very high	92.6	Very high	77 Å²	77	56.3 Å²	56.3	36%	0.36	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.8	-176.5	-59.5	-56.8	-47	0	0	114.1	W44 M63 V66	W44-Q68 VanDerWaalsContact CD1-O 3.24Å; W44-Q68 PolarHBondContact O-NE2 3.28Å; W44-Q68 PolarHBondContact O-OE1 2.9Å; M63-Q68 PolarHBondContact O-NE2 3.16Å; V66-Q68 PolarHBondContact O-N 2.94Å; V66-Q68 PolarHBondContact O-NE2 3.34Å
69	G	92.1	Very high	92.5	Very high	70 Å²	70	53.4 Å²	53.4	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-41.6	177.2	0	0	0	0	0	113.4	N67	N67-G69 VanDerWaalsContact C-N 3.31Å; N67-G69 PolarHBondContact O-N 3.38Å; N67-G69 WeakPolarHBondContact OD1-CA 3.35Å; N67-G69 PolarHBondContact OD1-N 2.49Å
70	T	93.1	Very high	92.3	Very high	89 Å²	89	56.6 Å²	56.6	55%	0.546	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-7.9	-174.5	-29.2	0	0	0	0	114.4	N67 K72	N67-T70 PolarHBondContact OD1-N 3.23Å; T70-K72 HydrophobicContact CG2-CD 3.83Å; T70-K72 HydrophobicContact CG2-CG 3.92Å; T70-K72 PolarHBondContact O-N 3Å; T70-K72 VanDerWaalsContact O-N 3.11Å
71	G	92.1	Very high	92	Very high	25 Å²	25	55.1 Å²	55.1	26%	0.258	32%	0.316	S	S	.	.			trans	66	7.2	-173.8	0	0	0	0	0	114.8	N67	N67-G71 VanDerWaalsContact O-CA 3.27Å; N67-G71 WeakPolarHBondContact O-CA 3.44Å; N67-G71 PolarHBondContact O-N 3.14Å
72	K	93.6	Very high	91.7	Very high	139 Å²	139	60.2 Å²	60.2	60%	0.604	34%	0.339	S	S	*	.			trans	-72.3	140	-179.7	-72.1	177.6	176.5	177.2	0	111	N67 T70	N67-K72 PolarHBondContact N-O 3.5Å; T70-K72 HydrophobicContact CG2-CD 3.83Å; T70-K72 HydrophobicContact CG2-CG 3.92Å; T70-K72 PolarHBondContact O-N 3Å; T70-K72 VanDerWaalsContact O-N 3.11Å
73	D	93.3	Very high	91.4	Very high	75 Å²	75	64.8 Å²	64.8	40%	0.401	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-68.4	131	170.6	-166.7	-4.4	0	0	0	110	K46 D75	K46-D73 WeakPolarHBondContact CD-OD1 3.23Å; K46-D73 WeakPolarHBondContact CE-OD2 3.18Å; K46-D73 IonicContact NZ-OD1 3.4Å; K46-D73 PolarHBondContact NZ-OD1 3.44Å; K46-D73 IonicContact NZ-OD2 3.34Å; K46-D73 PolarHBondContact NZ-OD2 2.79Å; D73-D75 PolarHBondContact OD1-N 3.04Å
74	L	90.3	Very high	91	Very high	103 Å²	103	65.4 Å²	65.4	54%	0.539	36%	0.363	S	S	.	.	S	Bend	trans	-99.8	-17.2	179.3	-62.2	174.7	0	0	0	112.4	V65 N67	V65-L74 WeakPolarHBondContact O-CB 2.97Å; V65-L74 PolarHBondContact O-N 3.34Å; N67-L74 HydrophobicContact CB-CD1 4.37Å; N67-L74 HydrophobicContact CB-CD2 4.17Å; N67-L74 HydrophobicContact CB-CG 4.32Å
75	D	90	Very high	90.7	Very high	14 Å²	14	68 Å²	68	8%	0.075	38%	0.376	C	S	.	.			trans	-131.1	67.9	-178	-174.3	-153.3	0	0	0	109.9	K46 V65 D73 N77 N78 V79 I80	K46-D75 PolarHBondContact NZ-O 3.16Å; V65-D75 HydrophobicContact CB-CB 4.06Å; V65-D75 HydrophobicContact CG1-CB 3.99Å; D73-D75 PolarHBondContact OD1-N 3.04Å; D75-N77 PolarHBondContact O-N 3.12Å; D75-N77 VanDerWaalsContact O-N 3.14Å; D75-N78 PolarHBondContact O-N 3.15Å; D75-N78 VanDerWaalsContact OD1-CA 3.23Å; D75-N78 WeakPolarHBondContact OD1-CA 3.45Å; D75-N78 PolarHBondContact OD2-N 3.04Å; D75-V79 PolarHBondContact OD1-N 2.81Å; D75-V79 VanDerWaalsContact OD1-N 3.12Å; D75-V79 PolarHBondContact OD2-N 2.74Å; D75-V79 VanDerWaalsContact OD2-N 3.16Å; D75-I80 HydrophobicContact CB-CD1 4.12Å; D75-I80 WeakPolarHBondContact OD1-CB 3.44Å; D75-I80 PolarHBondContact OD1-N 3.47Å
76	P	89.3	Confident	90.4	Very high	91 Å²	91	75.4 Å²	75.4	59%	0.591	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.3	-175.9	24.8	-34.9	0	0	0	112.6
77	N	90.8	Very high	89.9	Confident	125 Å²	125	83.2 Å²	83.2	67%	0.668	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.4	-179.1	-65.4	1.6	0	0	0	113.4	D75 V79	D75-N77 PolarHBondContact O-N 3.12Å; D75-N77 VanDerWaalsContact O-N 3.14Å; N77-V79 HydrophobicContact CB-CG2 3.72Å; N77-V79 PolarHBondContact O-N 2.68Å; N77-V79 VanDerWaalsContact O-N 3.15Å
78	N	89.4	Confident	89.3	Confident	60 Å²	60	86.4 Å²	86.4	32%	0.321	44%	0.439	S	S	.	.			trans	56.8	21.9	-178.3	-51.6	-59.4	0	0	0	115.1	K46 D75 I80 I81 E82	K46-N78 WeakPolarHBondContact CE-OD1 3.37Å; K46-N78 PolarHBondContact NZ-OD1 3.02Å; D75-N78 PolarHBondContact O-N 3.15Å; D75-N78 VanDerWaalsContact OD1-CA 3.23Å; D75-N78 WeakPolarHBondContact OD1-CA 3.45Å; D75-N78 PolarHBondContact OD2-N 3.04Å; N78-I80 VanDerWaalsContact C-N 3.31Å; N78-I80 PolarHBondContact O-N 2.9Å; N78-I81 HydrophobicContact CB-CB 4.48Å; N78-I81 HydrophobicContact CB-CD1 4.38Å; N78-I81 WeakPolarHBondContact O-CB 3.29Å; N78-I81 PolarHBondContact O-N 3.19Å; N78-E82 PolarHBondContact O-N 3.43Å
79	V	89.8	Confident	88.5	Confident	64 Å²	64	91.4 Å²	91.4	39%	0.388	46%	0.455	S	S	.	.	H	α-helix	trans	-64.8	-38	-171.7	177.4	0	0	0	0	111	D75 N77 I81 E82 Q83	D75-V79 PolarHBondContact OD1-N 2.81Å; D75-V79 VanDerWaalsContact OD1-N 3.12Å; D75-V79 PolarHBondContact OD2-N 2.74Å; D75-V79 VanDerWaalsContact OD2-N 3.16Å; N77-V79 HydrophobicContact CB-CG2 3.72Å; N77-V79 PolarHBondContact O-N 2.68Å; N77-V79 VanDerWaalsContact O-N 3.15Å; V79-I81 VanDerWaalsContact C-N 3.29Å; V79-I81 PolarHBondContact O-N 3.11Å; V79-E82 PolarHBondContact O-N 3.3Å; V79-Q83 HydrophobicContact CG1-CG 4.23Å; V79-Q83 WeakPolarHBondContact O-CB 3.49Å; V79-Q83 VanDerWaalsContact O-CG 3.25Å; V79-Q83 WeakPolarHBondContact O-CG 3.23Å; V79-Q83 PolarHBondContact O-N 2.95Å
80	I	88.6	Confident	87.2	Confident	85 Å²	85	91.8 Å²	91.8	44%	0.436	45%	0.447	S	S	.	.	H	α-helix	trans	-65.9	-38.8	-179.3	-56.6	173.6	0	0	0	110	D75 N78 E84	D75-I80 HydrophobicContact CB-CD1 4.12Å; D75-I80 WeakPolarHBondContact OD1-CB 3.44Å; D75-I80 PolarHBondContact OD1-N 3.47Å; N78-I80 VanDerWaalsContact C-N 3.31Å; N78-I80 PolarHBondContact O-N 2.9Å; I80-E84 WeakPolarHBondContact O-CB 3.36Å; I80-E84 PolarHBondContact O-N 3.27Å; I80-E84 VanDerWaalsContact O-N 3.11Å
81	I	89.4	Confident	85.4	Confident	14 Å²	14	95.2 Å²	95.2	7%	0.072	45%	0.454	C	S	.	.	H	α-helix	trans	-66.5	-52.5	179.2	-67.3	169.4	0	0	0	110.1	I48 V65 N78 V79 Q83 E84 E85	I48-I81 HydrophobicContact CG1-CD1 4.31Å; I48-I81 HydrophobicContact CG2-CD1 4.39Å; I48-I81 HydrophobicContact CG2-CG2 3.53Å; V65-I81 HydrophobicContact CG1-CD1 4.36Å; V65-I81 HydrophobicContact CG1-CG1 4.34Å; N78-I81 HydrophobicContact CB-CB 4.48Å; N78-I81 HydrophobicContact CB-CD1 4.38Å; N78-I81 WeakPolarHBondContact O-CB 3.29Å; N78-I81 PolarHBondContact O-N 3.19Å; V79-I81 VanDerWaalsContact C-N 3.29Å; V79-I81 PolarHBondContact O-N 3.11Å; I81-Q83 PolarHBondContact O-N 3.14Å; I81-E84 PolarHBondContact O-N 3.41Å; I81-E85 WeakPolarHBondContact O-CB 3.49Å; I81-E85 PolarHBondContact O-N 3.44Å
82	E	88	Confident	83.9	Confident	110 Å²	110	100.6 Å²	100.6	51%	0.514	47%	0.473	S	S	.	.	H	α-helix	trans	-62.8	-42.5	-179.1	-72.6	-167.3	179.2	0	0	112.7	N78 V79 E84 E85 R86	N78-E82 PolarHBondContact O-N 3.43Å; V79-E82 PolarHBondContact O-N 3.3Å; E82-E84 VanDerWaalsContact C-N 3.35Å; E82-E85 PolarHBondContact O-N 3.23Å; E82-R86 VanDerWaalsContact O-CB 3.3Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 IonicContact OE2-NH2 2.79Å
83	Q	88.4	Confident	82.3	Confident	96 Å²	96	98.5 Å²	98.5	45%	0.449	47%	0.468	S	S	.	.	H	α-helix	trans	-63.7	-40.7	177.5	-74.4	-177.5	9.4	0	0	111.9	V79 I81 R87	V79-Q83 HydrophobicContact CG1-CG 4.23Å; V79-Q83 WeakPolarHBondContact O-CB 3.49Å; V79-Q83 VanDerWaalsContact O-CG 3.25Å; V79-Q83 WeakPolarHBondContact O-CG 3.23Å; V79-Q83 PolarHBondContact O-N 2.95Å; I81-Q83 PolarHBondContact O-N 3.14Å; Q83-R87 VanDerWaalsContact O-CB 3.29Å; Q83-R87 WeakPolarHBondContact O-CB 3.44Å; Q83-R87 PolarHBondContact O-N 3.47Å
84	E	86.9	Confident	80.7	Confident	24 Å²	24	103.3 Å²	103.3	11%	0.112	48%	0.482	C	S	.	.	H	α-helix	trans	-68.1	-41.9	176.2	-171.7	-179.6	-171.7	0	0	111.6	T23 H24 K64 I80 I81 E82 R87 R88	T23-E84 WeakPolarHBondContact CG2-OE1 3.34Å; H24-E84 IonicContact CE1-OE2 2.68Å; H24-E84 IonicContact ND1-OE2 3.37Å; H24-E84 IonicContact NE2-OE2 3.8Å; H24-E84 PolarHBondContact NE2-OE2 2.92Å; K64-E84 IonicContact NZ-OE2 2.99Å; K64-E84 PolarHBondContact NZ-OE2 3.44Å; I80-E84 WeakPolarHBondContact O-CB 3.36Å; I80-E84 PolarHBondContact O-N 3.27Å; I80-E84 VanDerWaalsContact O-N 3.11Å; I81-E84 PolarHBondContact O-N 3.41Å; E82-E84 VanDerWaalsContact C-N 3.35Å; E84-R87 PolarHBondContact O-N 2.72Å; E84-R88 VanDerWaalsContact CD-NH2 3.26Å; E84-R88 HydrophobicContact CG-CG 4.46Å; E84-R88 WeakPolarHBondContact O-CB 3.43Å; E84-R88 WeakPolarHBondContact O-CG 3.04Å; E84-R88 PolarHBondContact O-N 2.86Å; E84-R88 IonicContact OE1-CZ 2.64Å; E84-R88 IonicContact OE1-NE 2.66Å; E84-R88 PolarHBondContact OE1-NE 3.04Å; E84-R88 IonicContact OE1-NH2 3.67Å; E84-R88 PolarHBondContact OE1-NH2 3.23Å; E84-R88 IonicContact OE2-NH2 3.36Å
85	E	85.3	Confident	79.2	Confident	90 Å²	90	103.6 Å²	103.6	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-42.7	176.6	-174.8	167.9	-160.6	0	0	111.6	I81 E82 R87 R88 R89	I81-E85 WeakPolarHBondContact O-CB 3.49Å; I81-E85 PolarHBondContact O-N 3.44Å; E82-E85 PolarHBondContact O-N 3.23Å; E85-R87 PolarHBondContact O-N 3.18Å; E85-R88 PolarHBondContact O-N 3.38Å; E85-R89 VanDerWaalsContact CD-NH2 3.28Å; E85-R89 VanDerWaalsContact O-CG 3.32Å; E85-R89 WeakPolarHBondContact O-CG 3.28Å; E85-R89 PolarHBondContact O-N 2.9Å; E85-R89 IonicContact OE1-CZ 2.49Å; E85-R89 IonicContact OE1-NE 2.86Å; E85-R89 PolarHBondContact OE1-NE 2.95Å; E85-R89 IonicContact OE1-NH2 3.5Å; E85-R89 PolarHBondContact OE1-NH2 2.93Å; E85-R89 IonicContact OE2-NH2 3.57Å
86	R	87.1	Confident	77.6	Confident	157 Å²	157	106.2 Å²	106.2	59%	0.592	52%	0.519	S	S	*	.	H	α-helix	trans	-58.8	-45.7	172.7	-170.2	178.3	-63.3	122.8	7.7	111.3	E82 R88 R89 S90	E82-R86 VanDerWaalsContact O-CB 3.3Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 IonicContact OE2-NH2 2.79Å; R86-R88 VanDerWaalsContact C-N 3.33Å; R86-R88 PolarHBondContact O-N 3.17Å; R86-R89 PolarHBondContact O-N 2.85Å; R86-S90 PolarHBondContact O-N 3.42Å; R86-S90 PolarHBondContact O-OG 2.68Å
87	R	85.1	Confident	76.3	Confident	178 Å²	178	109.8 Å²	109.8	67%	0.672	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-31.7	177.5	-169.8	-177.9	-78.1	114.2	-9.8	112.9	Q83 E84 E85 S90	Q83-R87 VanDerWaalsContact O-CB 3.29Å; Q83-R87 WeakPolarHBondContact O-CB 3.44Å; Q83-R87 PolarHBondContact O-N 3.47Å; E84-R87 PolarHBondContact O-N 2.72Å; E85-R87 PolarHBondContact O-N 3.18Å; R87-S90 WeakPolarHBondContact CA-OG 3.41Å; R87-S90 PolarHBondContact O-OG 3.08Å; R87-S90 VanDerWaalsContact O-OG 3.14Å
88	R	80.6	Confident	74.9	Confident	129 Å²	129	112.5 Å²	112.5	49%	0.487	53%	0.533	S	S	.	.	H	α-helix	trans	-76.6	-28.8	173.8	-72.9	-177.8	-170.3	172.1	8.7	113.3	E84 E85 R86	E84-R88 VanDerWaalsContact CD-NH2 3.26Å; E84-R88 HydrophobicContact CG-CG 4.46Å; E84-R88 WeakPolarHBondContact O-CB 3.43Å; E84-R88 WeakPolarHBondContact O-CG 3.04Å; E84-R88 PolarHBondContact O-N 2.86Å; E84-R88 IonicContact OE1-CZ 2.64Å; E84-R88 IonicContact OE1-NE 2.66Å; E84-R88 PolarHBondContact OE1-NE 3.04Å; E84-R88 IonicContact OE1-NH2 3.67Å; E84-R88 PolarHBondContact OE1-NH2 3.23Å; E84-R88 IonicContact OE2-NH2 3.36Å; E85-R88 PolarHBondContact O-N 3.38Å; R86-R88 VanDerWaalsContact C-N 3.33Å; R86-R88 PolarHBondContact O-N 3.17Å
89	R	75	Confident	73.7	Confident	181 Å²	181	116.5 Å²	116.5	68%	0.683	55%	0.553	S	S	*	*	H	α-helix	trans	-78.3	-27.1	175.2	-70.4	175	-174.5	-165.2	6.5	112.4	E85 R86 F91	E85-R89 VanDerWaalsContact CD-NH2 3.28Å; E85-R89 VanDerWaalsContact O-CG 3.32Å; E85-R89 WeakPolarHBondContact O-CG 3.28Å; E85-R89 PolarHBondContact O-N 2.9Å; E85-R89 IonicContact OE1-CZ 2.49Å; E85-R89 IonicContact OE1-NE 2.86Å; E85-R89 PolarHBondContact OE1-NE 2.95Å; E85-R89 IonicContact OE1-NH2 3.5Å; E85-R89 PolarHBondContact OE1-NH2 2.93Å; E85-R89 IonicContact OE2-NH2 3.57Å; R86-R89 PolarHBondContact O-N 2.85Å; R89-F91 PolarHBondContact O-N 3.37Å
90	S	64.9	Low	72.3	Confident	79 Å²	79	118.7 Å²	118.7	55%	0.552	57%	0.567	S	S	*	*			trans	-83.2	73.4	-179.1	58.3	0	0	0	0	113.2	R86 R87	R86-S90 PolarHBondContact O-N 3.42Å; R86-S90 PolarHBondContact O-OG 2.68Å; R87-S90 WeakPolarHBondContact CA-OG 3.41Å; R87-S90 PolarHBondContact O-OG 3.08Å; R87-S90 VanDerWaalsContact O-OG 3.14Å
91	F	55	Low	71.1	Confident	161 Å²	161	121.9 Å²	121.9	71%	0.706	58%	0.584	S	S	*	*			trans	-146	74.2	150.1	-161.9	-100.7	0	0	0	109.2	R89 D93	R89-F91 PolarHBondContact O-N 3.37Å; F91-D93 WeakPolarHBondContact CE1-OD2 3.49Å; F91-D93 WeakPolarHBondContact CZ-OD1 3.3Å; F91-D93 VanDerWaalsContact CZ-OD2 3.23Å; F91-D93 WeakPolarHBondContact CZ-OD2 3.32Å
92	Q	62.3	Low	69.7	Low	137 Å²	137	129 Å²	129	64%	0.64	62%	0.617	S	S	*	*			trans	-110.1	94.4	173.5	-168	160.2	6.2	0	0	107.7	Y94	Q92-Y94 VanDerWaalsContact C-N 3.3Å; Q92-Y94 HydrophobicContact CB-CE2 4Å; Q92-Y94 HydrophobicContact CG-CD2 4.41Å; Q92-Y94 HydrophobicContact CG-CE1 4.24Å; Q92-Y94 HydrophobicContact CG-CE2 3.89Å; Q92-Y94 WeakPolarHBondContact O-CD2 3.35Å; Q92-Y94 PolarHBondContact O-N 3.06Å; Q92-Y94 PolarHBondContact OE1-OH 2.97Å
93	D	59.4	Low	68.1	Low	96 Å²	96	127.6 Å²	127.6	51%	0.513	62%	0.624	S	S	.	*			trans	-67	83.7	176.9	-86.5	-26.3	0	0	0	110.7	F91 T95 G96	F91-D93 WeakPolarHBondContact CE1-OD2 3.49Å; F91-D93 WeakPolarHBondContact CZ-OD1 3.3Å; F91-D93 VanDerWaalsContact CZ-OD2 3.23Å; F91-D93 WeakPolarHBondContact CZ-OD2 3.32Å; D93-T95 WeakPolarHBondContact CB-OG1 3.16Å; D93-T95 PolarHBondContact O-N 3.36Å; D93-T95 PolarHBondContact OD1-OG1 3.06Å; D93-G96 PolarHBondContact O-N 3.43Å
94	Y	58.4	Low	66.6	Low	176 Å²	176	127.8 Å²	127.8	69%	0.69	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-63.9	-11.2	164.9	-61.6	-79.8	0	0	0	112	Q92 G96 Q97	Q92-Y94 VanDerWaalsContact C-N 3.3Å; Q92-Y94 HydrophobicContact CB-CE2 4Å; Q92-Y94 HydrophobicContact CG-CD2 4.41Å; Q92-Y94 HydrophobicContact CG-CE1 4.24Å; Q92-Y94 HydrophobicContact CG-CE2 3.89Å; Q92-Y94 WeakPolarHBondContact O-CD2 3.35Å; Q92-Y94 PolarHBondContact O-N 3.06Å; Q92-Y94 PolarHBondContact OE1-OH 2.97Å; Y94-G96 PolarHBondContact O-N 2.79Å; Y94-G96 VanDerWaalsContact O-N 3.09Å; Y94-Q97 PolarHBondContact O-N 2.93Å; Y94-Q97 VanDerWaalsContact O-N 3.12Å
95	T	59.5	Low	65.1	Low	108 Å²	108	131.4 Å²	131.4	66%	0.663	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-60.8	-8.5	170.9	52.7	0	0	0	0	114.3	D93 Q97	D93-T95 WeakPolarHBondContact CB-OG1 3.16Å; D93-T95 PolarHBondContact O-N 3.36Å; D93-T95 PolarHBondContact OD1-OG1 3.06Å; T95-Q97 PolarHBondContact O-N 2.83Å
96	G	56.4	Low	63.7	Low	70 Å²	70	133.8 Å²	133.8	72%	0.722	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-59.7	-25.4	166.2	0	0	0	0	0	113.7	D93 Y94 K98	D93-G96 PolarHBondContact O-N 3.43Å; Y94-G96 PolarHBondContact O-N 2.79Å; Y94-G96 VanDerWaalsContact O-N 3.09Å; G96-K98 VanDerWaalsContact C-N 3.31Å; G96-K98 PolarHBondContact O-N 2.88Å
97	Q	62.5	Low	62.5	Low	166 Å²	166	127.7 Å²	127.7	78%	0.776	65%	0.647	S	S	*	*	S	Bend	trans	-78.3	83	164.5	-73	-176.3	-15	0	0	109.8	Y94 T95 I99	Y94-Q97 PolarHBondContact O-N 2.93Å; Y94-Q97 VanDerWaalsContact O-N 3.12Å; T95-Q97 PolarHBondContact O-N 2.83Å; Q97-I99 PolarHBondContact O-N 3.36Å
98	K	60	Low	61.2	Low	181 Å²	181	122.9 Å²	122.9	79%	0.787	64%	0.638	S	S	*	*			trans	-56	108.7	157.6	-90.2	-172.3	170.2	-175	0	107.8	G96 T100	G96-K98 VanDerWaalsContact C-N 3.31Å; G96-K98 PolarHBondContact O-N 2.88Å; K98-T100 PolarHBondContact O-N 2.97Å
99	I	66	Low	59.8	Low	145 Å²	145	118.9 Å²	118.9	74%	0.744	63%	0.628	S	S	*	*			trans	-69.1	87.8	165.7	-53.4	176.3	0	0	0	106.4	Q97 L101	Q97-I99 PolarHBondContact O-N 3.36Å; I99-L101 HydrophobicContact CG2-CD2 3.76Å; I99-L101 HydrophobicContact CG2-CG 3.96Å; I99-L101 PolarHBondContact O-N 3.18Å
100	T	60.7	Low	58.9	Low	110 Å²	110	120.2 Å²	120.2	68%	0.675	64%	0.639	S	S	*	*			trans	-69.8	87.9	166.2	47.8	0	0	0	0	107.3	K98 E102	K98-T100 PolarHBondContact O-N 2.97Å; T100-E102 PolarHBondContact O-N 3.12Å
101	L	61.5	Low	58.4	Low	152 Å²	152	125.4 Å²	125.4	80%	0.796	65%	0.652	S	S	*	*			trans	-64.6	83.1	160.2	-63.6	179.8	0	0	0	107.2	I99 A103	I99-L101 HydrophobicContact CG2-CD2 3.76Å; I99-L101 HydrophobicContact CG2-CG 3.96Å; I99-L101 PolarHBondContact O-N 3.18Å; L101-A103 PolarHBondContact O-N 3.09Å
102	E	60.2	Low	58.7	Low	164 Å²	164	121.1 Å²	121.1	77%	0.766	64%	0.641	S	S	*	*			trans	-65.2	85.4	159.5	-69	-158.1	153.2	0	0	106.8	T100 V104	T100-E102 PolarHBondContact O-N 3.12Å; E102-V104 HydrophobicContact CB-CG2 4.37Å; E102-V104 PolarHBondContact O-N 3.32Å
103	A	55.9	Low	58.5	Low	79 Å²	79	117.2 Å²	117.2	65%	0.653	64%	0.637	S	S	*	*			trans	-68.8	76.4	173	0	0	0	0	0	108.6	L101 L105	L101-A103 PolarHBondContact O-N 3.09Å; A103-L105 PolarHBondContact O-N 3.32Å
104	V	55.6	Low	58	Low	101 Å²	101	116.1 Å²	116.1	61%	0.612	64%	0.637	S	S	*	*			trans	-71.7	72.2	167.9	-171.3	0	0	0	0	107.4	E102 N106	E102-V104 HydrophobicContact CB-CG2 4.37Å; E102-V104 PolarHBondContact O-N 3.32Å; V104-N106 PolarHBondContact O-N 3.04Å
105	L	56.9	Low	57.9	Low	100 Å²	100	115.9 Å²	115.9	52%	0.524	64%	0.639	S	S	.	*			trans	-62.6	101.7	167.7	-72.8	171.3	0	0	0	106.6	A103 T107	A103-L105 PolarHBondContact O-N 3.32Å; L105-T107 HydrophobicContact CB-CG2 4.14Å; L105-T107 PolarHBondContact O-N 2.94Å; L105-T107 PolarHBondContact O-OG1 3.14Å
106	N	54.2	Low	57.6	Low	139 Å²	139	112.8 Å²	112.8	74%	0.743	63%	0.629	S	S	*	*			trans	-70.2	53.5	175.2	-74.3	-37.7	0	0	0	111	V104	V104-N106 PolarHBondContact O-N 3.04Å
107	T	62.6	Low	57.1	Low	30 Å²	30	120.1 Å²	120.1	18%	0.184	64%	0.635	C	S	.	*			trans	-95.9	112.6	-178.5	51.2	0	0	0	0	109.2	L105 G116 F149	L105-T107 HydrophobicContact CB-CG2 4.14Å; L105-T107 PolarHBondContact O-N 2.94Å; L105-T107 PolarHBondContact O-OG1 3.14Å; T107-G116 PolarHBondContact O-N 2.99Å; T107-F149 HydrophobicContact CG2-CD1 4.5Å; T107-F149 HydrophobicContact CG2-CE1 3.73Å; T107-F149 HydrophobicContact CG2-CZ 4.1Å; T107-F149 VanDerWaalsContact OG1-CZ 3.32Å; T107-F149 WeakPolarHBondContact OG1-CZ 3.39Å
108	T	56.9	Low	56.5	Low	77 Å²	77	118.5 Å²	118.5	47%	0.472	64%	0.636	S	S	.	*	B	Isolated β-bridge	trans	-93.6	128.6	171.7	37.5	0	0	0	0	109.6	K110 K115	T108-K110 PolarHBondContact O-N 2.82Å; T108-K115 HydrophobicContact CG2-CG 3.57Å
109	C	52	Low	55.7	Low	44 Å²	44	117.9 Å²	117.9	30%	0.297	63%	0.633	S	S	.	*			trans	-69.4	120.1	174.5	177.6	0	0	0	0	110.2	K111 C112 G113 C114	C109-K111 PolarHBondContact O-N 2.81Å; C109-K111 VanDerWaalsContact O-N 3.13Å; C109-C112 VanDerWaalsContact CB-SG 3.54Å; C109-C112 PolarHBondContact O-N 3.34Å; C109-G113 WeakPolarHBondContact O-CA 3.32Å; C109-G113 PolarHBondContact O-N 3.14Å; C109-C114 PolarHBondContact N-O 3.06Å
110	K	56.4	Low	54.5	Low	210 Å²	210	116.9 Å²	116.9	91%	0.913	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-21.2	178.5	-77.8	-172.4	176.5	-178.3	0	114.5	T108	T108-K110 PolarHBondContact O-N 2.82Å
111	K	54.3	Low	53.5	Low	187 Å²	187	119.1 Å²	119.1	81%	0.813	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-20.6	-179.6	-71.5	-172.8	176.3	-178.7	0	115	C109	C109-K111 PolarHBondContact O-N 2.81Å; C109-K111 VanDerWaalsContact O-N 3.13Å
112	C	61.7	Low	52.6	Low	72 Å²	72	117.4 Å²	117.4	49%	0.486	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-137.2	0.5	-178.1	65.2	0	0	0	0	115.5	C109 C114	C109-C112 VanDerWaalsContact CB-SG 3.54Å; C109-C112 PolarHBondContact O-N 3.34Å; C112-C114 PolarHBondContact O-N 2.91Å
113	G	56.7	Low	51.3	Low	54 Å²	54	119.2 Å²	119.2	56%	0.557	65%	0.647	S	S	*	*			trans	71.6	-15.1	175.4	0	0	0	0	0	116.2	C109 K115	C109-G113 WeakPolarHBondContact O-CA 3.32Å; C109-G113 PolarHBondContact O-N 3.14Å; G113-K115 PolarHBondContact O-N 2.84Å
114	C	50.1	Low	50.6	Low	74 Å²	74	120.6 Å²	120.6	50%	0.5	65%	0.649	S	S	.	*			trans	-61.1	134.1	-177.5	-59.1	0	0	0	0	112.4	C109 C112	C109-C114 PolarHBondContact N-O 3.06Å; C112-C114 PolarHBondContact O-N 2.91Å
115	K	55.8	Low	49.8	Very low	171 Å²	171	127.2 Å²	127.2	74%	0.743	66%	0.663	S	S	*	*	B	Isolated β-bridge	trans	-80.8	116.5	171.1	-69	179.1	179.2	-176.3	0	109.2	T108 G113 R117	T108-K115 HydrophobicContact CG2-CG 3.57Å; G113-K115 PolarHBondContact O-N 2.84Å; K115-R117 PolarHBondContact O-N 2.88Å
116	G	52.5	Low	48.8	Very low	43 Å²	43	132.2 Å²	132.2	44%	0.443	68%	0.681	S	S	.	*			trans	-66.9	116	179.5	0	0	0	0	0	111.7	T107	T107-G116 PolarHBondContact O-N 2.99Å
117	R	46	Very low	47.9	Very low	223 Å²	223	130.6 Å²	130.6	84%	0.842	68%	0.681	S	S	*	*			trans	-112.8	82.4	175.6	-154.1	-170.2	-57.5	-118.5	9	109.7	K115 K119	K115-R117 PolarHBondContact O-N 2.88Å; R117-K119 PolarHBondContact O-N 3.12Å; R117-K119 VanDerWaalsContact O-N 3.12Å
118	V	49.5	Very low	47.2	Very low	132 Å²	132	135.1 Å²	135.1	80%	0.8	71%	0.711	S	S	*	*			trans	-76.4	98.8	-178.8	-167.7	0	0	0	0	109.2
119	K	44.3	Very low	45.9	Very low	168 Å²	168	137.5 Å²	137.5	73%	0.73	73%	0.729	S	S	*	*			trans	-73.2	128.1	168.7	-68.9	-174.8	178.4	-178.6	0	108.7	R117 L121	R117-K119 PolarHBondContact O-N 3.12Å; R117-K119 VanDerWaalsContact O-N 3.12Å; K119-L121 PolarHBondContact O-N 3.04Å; K119-L121 VanDerWaalsContact O-N 3.14Å
120	P	40.4	Very low	45.1	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	75%	0.748	S	S	*	*			trans	-67.3	113	170.2	27.5	-32	0	0	0	108.8
121	L	39.5	Very low	44.2	Very low	157 Å²	157	140.3 Å²	140.3	82%	0.822	75%	0.749	S	S	*	*			trans	-71.4	139.2	171.2	-70	174.5	0	0	0	109.5	K119	K119-L121 PolarHBondContact O-N 3.04Å; K119-L121 VanDerWaalsContact O-N 3.14Å
122	P	42.7	Very low	43.5	Very low	116 Å²	116	137.7 Å²	137.7	75%	0.753	75%	0.749	S	S	*	*			trans	-64.4	145.4	169.6	28.5	-33.6	0	0	0	110.1
123	F	33.4	Very low	42.1	Very low	202 Å²	202	142.1 Å²	142.1	89%	0.886	77%	0.766	S	S	*	*			trans	-45.9	136.3	-178.5	-78.6	-97.5	0	0	0	112.9	R125	F123-R125 PolarHBondContact O-N 3.18Å
124	P	41	Very low	41	Very low	107 Å²	107	149 Å²	149	70%	0.695	78%	0.782	S	S	*	*			trans	-67.2	116.9	174.7	27.7	-33	0	0	0	110.3	F126	P124-F126 PolarHBondContact O-N 2.8Å
125	R	39.4	Very low	40.1	Very low	240 Å²	240	157.1 Å²	157.1	91%	0.906	80%	0.802	S	S	*	*			trans	-66.4	114	160.4	-88.8	175.7	67.3	159.7	-1.8	107.8	F123 S127	F123-R125 PolarHBondContact O-N 3.18Å; R125-S127 PolarHBondContact O-N 2.94Å
126	F	36.1	Very low	38.8	Very low	206 Å²	206	157.4 Å²	157.4	90%	0.904	80%	0.803	S	S	*	*			trans	-57.9	123.2	165.5	-92.3	-98.8	0	0	0	109.4	P124	P124-F126 PolarHBondContact O-N 2.8Å
127	S	35.3	Very low	38	Very low	105 Å²	105	164.7 Å²	164.7	73%	0.734	82%	0.823	S	S	*	*			trans	-142.7	112.8	171.4	-173.4	0	0	0	0	108.2	R125 C129	R125-S127 PolarHBondContact O-N 2.94Å; S127-C129 PolarHBondContact O-N 2.76Å
128	P	46.2	Very low	37.3	Very low	125 Å²	125	162.7 Å²	162.7	81%	0.812	82%	0.823	S	S	*	*			trans	-90.2	96.5	-178.8	33.3	-29.6	0	0	0	110.3
129	C	31.4	Very low	36.6	Very low	127 Å²	127	159.8 Å²	159.8	86%	0.858	81%	0.813	S	S	*	*			trans	-178.5	136.3	152.1	-107.4	0	0	0	0	113.5	S127	S127-C129 PolarHBondContact O-N 2.76Å
130	G	34.5	Very low	36.3	Very low	68 Å²	68	156.1 Å²	156.1	70%	0.701	81%	0.814	S	S	*	*			trans	51.9	82.6	137.1	0	0	0	0	0	120.8
131	W	37.8	Very low	36.4	Very low	244 Å²	244	158.6 Å²	158.6	92%	0.924	81%	0.814	S	S	*	*				35.2	102.3	127.4	-73.3	45	0	0	0	119.2
132	T	39.6	Very low	36.6	Very low	133 Å²	133	154.6 Å²	154.6	82%	0.816	80%	0.799	S	S	*	*				160.5	112.4	111.3	37.6	0	0	0	0	109.5
133	L	31.3	Very low	36.5	Very low	164 Å²	164	157.4 Å²	157.4	86%	0.859	80%	0.802	S	S	*	*			trans	-147.3	127.9	164.9	-108.6	169	0	0	0	110.8	W135	L133-W135 PolarHBondContact O-N 3.21Å; L133-W135 VanDerWaalsContact O-N 3.08Å
134	F	33.9	Very low	37.1	Very low	200 Å²	200	157.9 Å²	157.9	88%	0.877	80%	0.804	S	S	*	*			trans	-63.5	100.2	-171.4	-155.3	-103.7	0	0	0	111.4	K136	F134-K136 PolarHBondContact O-N 3.17Å
135	W	30.6	Very low	37.5	Very low	244 Å²	244	155.5 Å²	155.5	92%	0.924	79%	0.793	S	S	*	*			trans	-85.8	101.2	171.3	-95.8	45	0	0	0	110.3	L133 K137	L133-W135 PolarHBondContact O-N 3.21Å; L133-W135 VanDerWaalsContact O-N 3.08Å; W135-K137 PolarHBondContact O-N 3.34Å
136	K	29.7	Very low	38	Very low	177 Å²	177	153.9 Å²	153.9	77%	0.77	79%	0.792	S	S	*	*			trans	-62.5	108	166.8	-170.4	170.5	-178	178	0	108.3	F134 E138	F134-K136 PolarHBondContact O-N 3.17Å; K136-E138 PolarHBondContact O-N 2.75Å
137	K	34.8	Very low	38.7	Very low	196 Å²	196	151.1 Å²	151.1	85%	0.852	79%	0.787	S	S	*	*			trans	-59.1	107.1	172.5	-94	-179	171.6	177.8	0	110	W135	W135-K137 PolarHBondContact O-N 3.34Å
138	E	32.5	Very low	39.1	Very low	180 Å²	180	149.2 Å²	149.2	84%	0.841	77%	0.773	S	S	*	*			trans	-117.8	79.5	143.6	-82.2	-177.1	88.9	0	0	107.7	K136 A140	K136-E138 PolarHBondContact O-N 2.75Å; E138-A140 PolarHBondContact O-N 3.45Å
139	A	34.9	Very low	39.2	Very low	72 Å²	72	150.3 Å²	150.3	60%	0.595	77%	0.765	S	S	*	*			trans	-81.1	91.6	179.5	0	0	0	0	0	110.2	Q141	A139-Q141 PolarHBondContact O-N 3.25Å
140	A	37.7	Very low	40.2	Very low	91 Å²	91	152.5 Å²	152.5	75%	0.752	77%	0.765	S	S	*	*			trans	-75.7	77.1	154.9	0	0	0	0	0	108.5	E138 C142	E138-A140 PolarHBondContact O-N 3.45Å; A140-C142 PolarHBondContact O-N 3.16Å
141	Q	43	Very low	41	Very low	176 Å²	176	154.8 Å²	154.8	82%	0.822	76%	0.758	S	S	*	*			trans	-77.2	74.2	-177.6	-168.2	161.2	2.8	0	0	110.8	A139	A139-Q141 PolarHBondContact O-N 3.25Å
142	C	42.2	Very low	41.5	Very low	73 Å²	73	149 Å²	149	49%	0.493	75%	0.752	S	S	.	*			trans	-70.4	131.2	172.2	-68	0	0	0	0	110.4	A140 F144	A140-C142 PolarHBondContact O-N 3.16Å; C142-F144 PolarHBondContact O-N 3.3Å
143	H	41.5	Very low	42.2	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.815	74%	0.74	S	S	*	*			trans	-62.4	104.2	176.4	-72.9	-93.3	0	0	0	111.2	A145	H143-A145 PolarHBondContact O-N 2.95Å
144	F	46.4	Very low	43	Very low	211 Å²	211	140.6 Å²	140.6	93%	0.925	73%	0.731	S	S	*	*			trans	-79.3	55.3	174.4	-122.6	-87.8	0	0	0	111.4	C142	C142-F144 PolarHBondContact O-N 3.3Å
145	A	49.7	Very low	43.7	Very low	57 Å²	57	135.2 Å²	135.2	47%	0.471	72%	0.715	S	S	.	*			trans	-84.5	141.9	169.7	0	0	0	0	0	110	H143 D147	H143-A145 PolarHBondContact O-N 2.95Å; A145-D147 PolarHBondContact O-N 3.39Å; A145-D147 VanDerWaalsContact O-N 3.14Å
146	K	48	Very low	44.1	Very low	206 Å²	206	132.5 Å²	132.5	90%	0.896	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-65.1	-16.7	-173.8	-80.9	177.1	173	176.1	0	114.3
147	D	51	Low	44.7	Very low	148 Å²	148	133.4 Å²	133.4	79%	0.791	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-94.8	4.7	-170.2	-54.6	-79.1	0	0	0	115.6	A145	A145-D147 PolarHBondContact O-N 3.39Å; A145-D147 VanDerWaalsContact O-N 3.14Å
148	C	45	Very low	45.1	Very low	66 Å²	66	128.4 Å²	128.4	45%	0.446	70%	0.699	S	S	.	*	G	3₁₀ helix	trans	-99.8	-1.8	-176.1	-79.9	0	0	0	0	115.4
149	F	47.5	Very low	45.9	Very low	147 Å²	147	127.5 Å²	127.5	65%	0.645	70%	0.699	S	S	*	*			trans	-104.7	80.4	-176.5	-117.5	-99.9	0	0	0	112	T107	T107-F149 HydrophobicContact CG2-CD1 4.5Å; T107-F149 HydrophobicContact CG2-CE1 3.73Å; T107-F149 HydrophobicContact CG2-CZ 4.1Å; T107-F149 VanDerWaalsContact OG1-CZ 3.32Å; T107-F149 WeakPolarHBondContact OG1-CZ 3.39Å
150	M	52.8	Low	46.9	Very low	174 Å²	174	131.4 Å²	131.4	86%	0.857	71%	0.708	S	S	*	*			trans	-107.6	129.4	165	-66	-174.7	79.3	0	0	109.8
151	Q	52.2	Low	47.5	Very low	116 Å²	116	131.4 Å²	131.4	54%	0.542	70%	0.701	S	S	.	*			trans	-66.1	132	171.1	-68.2	173.4	-64.3	0	0	109.7	G153	Q151-G153 PolarHBondContact O-N 3.32Å
152	P	48.1	Very low	48.1	Very low	122 Å²	122	130.7 Å²	130.7	79%	0.792	70%	0.703	S	S	*	*	S	Bend	trans	-75.1	78.3	171.1	31.8	-33.2	0	0	0	109.1
153	G	53.1	Low	48.5	Very low	56 Å²	56	135.7 Å²	135.7	58%	0.577	72%	0.719	S	S	*	*	S	Bend	trans	130.2	75.3	-164.5	0	0	0	0	0	108.7	Q151 T155	Q151-G153 PolarHBondContact O-N 3.32Å; G153-T155 PolarHBondContact O-N 2.96Å
154	G	49.3	Very low	48.7	Very low	65 Å²	65	136.1 Å²	136.1	67%	0.67	72%	0.721	S	S	*	*			trans	-60	128.3	172.3	0	0	0	0	0	109.1	K156	G154-K156 VanDerWaalsContact C-N 3.28Å; G154-K156 PolarHBondContact O-N 2.82Å
155	T	47.7	Very low	48.9	Very low	87 Å²	87	135.4 Å²	135.4	53%	0.534	72%	0.721	S	S	.	*			trans	-66.6	89	174.4	38.6	0	0	0	0	109.3	G153 Y157	G153-T155 PolarHBondContact O-N 2.96Å; T155-Y157 HydrophobicContact CG2-CE2 4.23Å; T155-Y157 PolarHBondContact O-N 2.83Å
156	K	38.8	Very low	48.4	Very low	187 Å²	187	142.1 Å²	142.1	81%	0.813	74%	0.742	S	S	*	*			trans	-69.6	82.1	167.1	-169.7	-179.2	-178.5	-176.6	0	107.9	G154 S158	G154-K156 VanDerWaalsContact C-N 3.28Å; G154-K156 PolarHBondContact O-N 2.82Å; K156-S158 VanDerWaalsContact C-N 3.26Å; K156-S158 PolarHBondContact O-N 2.87Å
157	Y	43.3	Very low	47.8	Very low	195 Å²	195	140.6 Å²	140.6	77%	0.765	74%	0.736	S	S	*	*			trans	-65.4	93.9	160.9	-74.2	-82.1	0	0	0	107.2	T155 L159	T155-Y157 HydrophobicContact CG2-CE2 4.23Å; T155-Y157 PolarHBondContact O-N 2.83Å; Y157-L159 PolarHBondContact O-N 3.34Å
158	S	42.8	Very low	47.1	Very low	91 Å²	91	140.1 Å²	140.1	64%	0.636	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-62.2	120.2	151.5	-61.5	0	0	0	0	106	K156 I160	K156-S158 VanDerWaalsContact C-N 3.26Å; K156-S158 PolarHBondContact O-N 2.87Å; S158-I160 PolarHBondContact O-N 3.13Å
159	L	49.3	Very low	46.6	Very low	161 Å²	161	145.2 Å²	145.2	84%	0.843	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-55.3	134.3	161.8	-66.7	168.4	0	0	0	106.8	Y157 P161	Y157-L159 PolarHBondContact O-N 3.34Å; L159-P161 WeakPolarHBondContact O-CD 3.42Å
160	I	55.3	Low	46.1	Very low	154 Å²	154	142.6 Å²	142.6	79%	0.79	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-60.5	123.7	169.7	-59.6	170.9	0	0	0	105	S158 D162	S158-I160 PolarHBondContact O-N 3.13Å; I160-D162 PolarHBondContact O-N 3.29Å
161	P	51.2	Low	45.1	Very low	92 Å²	92	144.6 Å²	144.6	60%	0.597	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-58.4	130.1	173.7	-22	33.8	0	0	0	108.8	L159 E163	L159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-E163 HydrophobicContact CB-CG 4.25Å; P161-E163 PolarHBondContact O-N 2.81Å
162	D	54.9	Low	44.1	Very low	160 Å²	160	144.8 Å²	144.8	86%	0.856	77%	0.769	S	S	*	*			trans	-68.5	92.1	162	-66.8	-50.8	0	0	0	105.9	I160 E164	I160-D162 PolarHBondContact O-N 3.29Å; D162-E164 PolarHBondContact O-N 3.31Å; D162-E164 VanDerWaalsContact O-N 3.16Å
163	E	49.7	Very low	43.7	Very low	179 Å²	179	143.8 Å²	143.8	84%	0.836	77%	0.772	S	S	*	*			trans	-70.5	110.5	177.8	-70	-172.7	157.5	0	0	108.8	P161	P161-E163 HydrophobicContact CB-CG 4.25Å; P161-E163 PolarHBondContact O-N 2.81Å
164	E	47.8	Very low	42.9	Very low	184 Å²	184	150 Å²	150	86%	0.86	79%	0.785	S	S	*	*			trans	-61.7	156.9	-179.1	-61.5	175.5	135.8	0	0	111.7	D162 E166	D162-E164 PolarHBondContact O-N 3.31Å; D162-E164 VanDerWaalsContact O-N 3.16Å; E164-E166 PolarHBondContact O-N 2.94Å; E164-E166 VanDerWaalsContact O-N 3.17Å
165	E	48.7	Very low	42	Very low	197 Å²	197	156.3 Å²	156.3	92%	0.921	80%	0.795	S	S	*	*			trans	-61.6	114.4	171.9	-64	179.7	118.9	0	0	110.8
166	E	39.2	Very low	41.6	Very low	197 Å²	197	160 Å²	160	92%	0.921	81%	0.806	S	S	*	*			trans	-137	170	148.5	-81.2	-147.3	150.7	0	0	111.8	E164	E164-E166 PolarHBondContact O-N 2.94Å; E164-E166 VanDerWaalsContact O-N 3.17Å
167	K	36.8	Very low	41.5	Very low	174 Å²	174	160.5 Å²	160.5	76%	0.757	81%	0.808	S	S	*	*			trans	-132.4	161.3	-138.4	-168.3	-159	170.4	-148	0	110.2
168	E	35.8	Very low	41.1	Very low	139 Å²	139	157.1 Å²	157.1	65%	0.65	81%	0.81	S	S	*	*			trans	101.3	124.1	156.4	-52.8	-162.2	158.9	0	0	121.2
169	E	35.3	Very low	41	Very low	173 Å²	173	158.4 Å²	158.4	81%	0.808	81%	0.814	S	S	*	*			trans	56.5	96.3	140.1	-61.2	-156.6	117.5	0	0	123.2
170	A	35.2	Very low	40.3	Very low	91 Å²	91	156.5 Å²	156.5	75%	0.752	81%	0.811	S	S	*	*				57.4	116.8	108.6	0	0	0	0	0	120.4
171	K	33.2	Very low	39.3	Very low	217 Å²	217	155 Å²	155	94%	0.943	81%	0.809	S	S	*	*				-142.4	140.5	125.6	-118.3	165.2	-171.1	168.9	0	112.3
172	S	31.6	Very low	38.6	Very low	119 Å²	119	162.2 Å²	162.2	83%	0.832	83%	0.825	S	S	*	*			trans	-87.2	139.5	-167.9	50.5	0	0	0	0	113.8
173	A	37.9	Very low	37.6	Very low	102 Å²	102	161.7 Å²	161.7	84%	0.843	82%	0.822	S	S	*	*			trans	-145.5	128.2	149.9	0	0	0	0	0	108.6
174	E	37.7	Very low	37.1	Very low	185 Å²	185	158.7 Å²	158.7	86%	0.864	82%	0.818	S	S	*	*			trans	-69.2	139.9	-175.1	-70.6	160	76.4	0	0	113
175	F	30.8	Very low	36.5	Very low	198 Å²	198	155.2 Å²	155.2	87%	0.868	81%	0.814	S	S	*	*			trans	-145.8	103.3	151.5	-166.9	-100.2	0	0	0	109.5
176	E	39	Very low	35.9	Very low	166 Å²	166	157.3 Å²	157.3	78%	0.776	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-66.2	141.9	-176.9	-69.1	-159.2	123.2	0	0	112.8	P178	E176-P178 WeakPolarHBondContact O-CD 3.48Å
177	K	35.4	Very low	35.7	Very low	196 Å²	196	156.5 Å²	156.5	85%	0.852	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-87.5	119.9	167.9	-69.3	176.3	-179.5	171.8	0	109.5	V179	K177-V179 PolarHBondContact O-N 3.17Å
178	P	36.4	Very low	35.8	Very low	125 Å²	125	159.8 Å²	159.8	81%	0.812	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.3	130.7	168.8	26.7	-31.9	0	0	0	111.2	E176	E176-P178 WeakPolarHBondContact O-CD 3.48Å
179	V	39	Very low	36.1	Very low	118 Å²	118	163.1 Å²	163.1	72%	0.715	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-61.9	144.8	-179.8	-178.9	0	0	0	0	111.4	K177 T181	K177-V179 PolarHBondContact O-N 3.17Å; V179-T181 PolarHBondContact O-N 3.33Å
180	P	34.6	Very low	36.2	Very low	120 Å²	120	164.8 Å²	164.8	78%	0.779	83%	0.831	S	S	*	*			trans	-64.9	106.3	174.7	26.5	-35.5	0	0	0	111.7	R182	P180-R182 PolarHBondContact O-N 2.86Å
181	T	34.3	Very low	36.2	Very low	123 Å²	123	168 Å²	168	76%	0.755	83%	0.831	S	S	*	*			trans	-73.8	112.4	176.6	47.8	0	0	0	0	111	V179 N183	V179-T181 PolarHBondContact O-N 3.33Å; T181-N183 PolarHBondContact O-N 3.01Å
182	R	37.9	Very low	36.6	Very low	243 Å²	243	167.8 Å²	167.8	92%	0.917	83%	0.83	S	S	*	*			trans	-65.3	123.4	161.9	-63.3	168.1	83.5	-171.4	10.8	107.2	P180	P180-R182 PolarHBondContact O-N 2.86Å
183	N	32.6	Very low	36.9	Very low	150 Å²	150	172.5 Å²	172.5	80%	0.802	84%	0.835	S	S	*	*			trans	-123.6	133.2	170	-117.5	-19.9	0	0	0	112.1	T181	T181-N183 PolarHBondContact O-N 3.01Å
184	P	40.8	Very low	36.9	Very low	116 Å²	116	178 Å²	178	75%	0.753	84%	0.84	S	S	*	*			trans	-100.5	128.2	-170.3	36.2	-30.7	0	0	0	112.5
185	S	33.7	Very low	36.9	Very low	110 Å²	110	178.9 Å²	178.9	77%	0.769	84%	0.841	S	S	*	*			trans	-158.4	147.5	154.1	61.6	0	0	0	0	113.8
186	R	37.7	Very low	37.2	Very low	242 Å²	242	179 Å²	179	91%	0.913	84%	0.841	S	S	*	*			trans	103.4	35	174.6	-57.3	178.8	179.5	-156.8	-2.1	118	R188	R186-R188 PolarHBondContact O-N 3.36Å
187	K	34.8	Very low	37.1	Very low	180 Å²	180	178.9 Å²	178.9	78%	0.783	84%	0.84	S	S	*	*			trans	-79.9	92.4	154.4	-170.3	-174	-178.9	-163.9	0	110.1	E191	K187-E191 IonicContact NZ-OE2 3.97Å; K187-E191 PolarHBondContact NZ-OE2 3.27Å
188	R	37.5	Very low	37.1	Very low	242 Å²	242	180.4 Å²	180.4	91%	0.913	84%	0.841	S	S	*	*			trans	-154.2	59.7	168.3	-133.3	179.5	-168.7	-159.1	3.4	116.7	R186	R186-R188 PolarHBondContact O-N 3.36Å
189	K	42.1	Very low	37.1	Very low	210 Å²	210	179.2 Å²	179.2	91%	0.913	83%	0.828	S	S	*	*	S	Bend	trans	175.2	84.2	143	-103.9	178.6	176.1	177.5	0	112.5
190	K	37.9	Very low	37.2	Very low	208 Å²	208	183.7 Å²	183.7	90%	0.904	83%	0.832	S	S	*	*			trans	-166.2	51.7	146.5	-139.9	172.3	-176.9	176.9	0	115.5
191	E	36.1	Very low	37.1	Very low	158 Å²	158	187.1 Å²	187.1	74%	0.738	83%	0.834	S	S	*	*			trans	-124.7	85.4	164.6	-79.8	-169.3	83.1	0	0	111.5	K187	K187-E191 IonicContact NZ-OE2 3.97Å; K187-E191 PolarHBondContact NZ-OE2 3.27Å
192	K	41	Very low	37.4	Very low	212 Å²	212	185.4 Å²	185.4	92%	0.922	83%	0.827	S	S	*	*			trans	-163.1	60.5	152.7	-127.1	179.1	-175.8	-179.4	0	113.7
193	K	37.6	Very low	37.4	Very low	218 Å²	218	179.3 Å²	179.3	95%	0.948	82%	0.822	S	S	*	*			trans	-162.5	87.6	149.2	-127	176.8	-179.6	179.2	0	112.2
194	K	38.7	Very low	37.7	Very low	218 Å²	218	179.1 Å²	179.1	95%	0.948	82%	0.821	S	S	*	*			trans	-133.1	84.9	167.2	-169.8	-178.6	-175.1	-178.8	0	108.7
195	K	37.8	Very low	37.6	Very low	204 Å²	204	179.4 Å²	179.4	89%	0.887	83%	0.826	S	S	*	*			trans	-163.1	135.6	164.2	-141.9	171.9	-176.1	176.9	0	110.7
196	K	35.7	Very low	37.9	Very low	200 Å²	200	181.6 Å²	181.6	87%	0.87	83%	0.829	S	S	*	*			trans	61	136.2	-165.1	-65.1	-174.2	171.9	-173.6	0	113.2
197	H	38	Very low	37.9	Very low	163 Å²	163	175.8 Å²	175.8	76%	0.755	83%	0.826	S	S	*	*			cis	-115.6	136.8	8.8	-151.5	-103.3	0	0	0	112
198	R	35.2	Very low	38.3	Very low	228 Å²	228	172.3 Å²	172.3	86%	0.86	82%	0.824	S	S	*	*			trans	-105	147.4	161.9	-159.7	-173.5	-162.5	-176.4	4.2	104.9
199	D	37.2	Very low	38.1	Very low	100 Å²	100	167.5 Å²	167.5	54%	0.535	82%	0.816	S	S	.	*			trans	121.7	133	177.5	-73.7	6.5	0	0	0	111
200	R	39.1	Very low	38.1	Very low	212 Å²	212	162.6 Å²	162.6	80%	0.8	81%	0.808	S	S	*	*			cis	-145.6	126.4	-11.4	-84.5	144	-160.7	-158.8	3.8	105.2
201	K	34.3	Very low	38.4	Very low	192 Å²	192	161.5 Å²	161.5	84%	0.835	81%	0.806	S	S	*	*				66.2	102.4	86.6	-173.8	154.9	-175.1	176.6	0	115.3
202	S	39	Very low	38.6	Very low	87 Å²	87	160 Å²	160	61%	0.608	81%	0.813	S	S	*	*			trans	45.8	131	145.2	67.1	0	0	0	0	122
203	S	37.6	Very low	38.7	Very low	116 Å²	116	156.9 Å²	156.9	81%	0.811	81%	0.807	S	S	*	*				-163.4	133.3	106.5	45.2	0	0	0	0	110.8
204	D	39.3	Very low	38.7	Very low	146 Å²	146	152.7 Å²	152.7	78%	0.781	80%	0.799	S	S	*	*			trans	-80.1	156.3	174.3	-46.8	-88.3	0	0	0	111
205	S	38.6	Very low	38.7	Very low	122 Å²	122	146 Å²	146	85%	0.853	79%	0.793	S	S	*	*			trans	-168.3	100.5	161.3	-72.7	0	0	0	0	110
206	D	40.7	Very low	38.8	Very low	156 Å²	156	146.6 Å²	146.6	83%	0.834	80%	0.795	S	S	*	*			trans	-68.8	146	163	-71.3	-72.9	0	0	0	110.6
207	S	36.9	Very low	39	Very low	120 Å²	120	149 Å²	149	84%	0.839	80%	0.799	S	S	*	*			trans	-165.1	123.9	150.5	-79.2	0	0	0	0	111
208	S	43.4	Very low	39	Very low	106 Å²	106	145.4 Å²	145.4	74%	0.741	80%	0.797	S	S	*	*			trans	-61.9	153.9	160	-49.2	0	0	0	0	110.2
209	D	34.1	Very low	39.2	Very low	141 Å²	141	144.8 Å²	144.8	75%	0.754	80%	0.795	S	S	*	*				170.3	148	93.9	-122	-63.8	0	0	0	114.8
210	S	41	Very low	39.2	Very low	107 Å²	107	148.5 Å²	148.5	75%	0.748	81%	0.808	S	S	*	*			trans	59.2	162.6	142.2	-72.4	0	0	0	0	123.7
211	E	44.8	Very low	39.4	Very low	186 Å²	186	143.8 Å²	143.8	87%	0.869	80%	0.803	S	S	*	*			trans	-97.9	161.8	-160.1	-45.1	-179.4	117.9	0	0	113.6
212	S	40.6	Very low	39.8	Very low	126 Å²	126	140 Å²	140	88%	0.881	80%	0.801	S	S	*	*			trans	-156.9	130.8	143.7	-26.9	0	0	0	0	112.7
213	D	42.9	Very low	39.8	Very low	146 Å²	146	144.7 Å²	144.7	78%	0.781	81%	0.81	S	S	*	*			trans	-73.3	174.3	166.4	-175.3	-102.1	0	0	0	111.9
214	T	37.8	Very low	39.8	Very low	130 Å²	130	145.8 Å²	145.8	80%	0.798	81%	0.807	S	S	*	*			trans	114	132	155.7	70.5	0	0	0	0	115.8
215	G	38.1	Very low	39.9	Very low	78 Å²	78	143.1 Å²	143.1	80%	0.804	80%	0.8	S	S	*	*			trans	162.4	35.9	175.8	0	0	0	0	0	118	R217	G215-R217 PolarHBondContact O-N 3.43Å
216	K	41	Very low	39.7	Very low	216 Å²	216	146.6 Å²	146.6	94%	0.939	80%	0.8	S	S	*	*			trans	-56.9	132.7	173	-70.4	172.5	-179.7	168.1	0	111.2
217	R	39.8	Very low	39.5	Very low	252 Å²	252	143.4 Å²	143.4	95%	0.951	80%	0.795	S	S	*	*			trans	-147.1	135.6	141.1	-142.1	172	-174.4	-155.7	-0.8	113.2	G215	G215-R217 PolarHBondContact O-N 3.43Å
218	A	37.8	Very low	39.7	Very low	86 Å²	86	142.2 Å²	142.2	71%	0.711	79%	0.793	S	S	*	*			trans	-105.1	161.7	-173.1	0	0	0	0	0	112.8
219	R	39.7	Very low	39.3	Very low	216 Å²	216	146.2 Å²	146.2	82%	0.815	80%	0.797	S	S	*	*			trans	28.4	132.5	148.7	-69.1	-177.2	172.5	-165.5	-1.6	120.1
220	H	37.2	Very low	39.5	Very low	178 Å²	178	147.4 Å²	147.4	82%	0.824	80%	0.795	S	S	*	*				-168.6	134.1	115.9	-84.9	-63.6	0	0	0	106.2
221	T	43.8	Very low	39.4	Very low	112 Å²	112	149.7 Å²	149.7	69%	0.687	79%	0.792	S	S	*	*			cis	79.1	87.8	33.3	75.2	0	0	0	0	116.7
222	S	41.9	Very low	39	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	78%	0.784	S	S	*	*			trans	-155.1	130.6	149.9	51.6	0	0	0	0	106.7
223	K	39.1	Very low	38.7	Very low	185 Å²	185	151.4 Å²	151.4	80%	0.804	78%	0.78	S	S	*	*				51.7	128.9	63.3	-85.2	-171.4	176.2	-176.8	0	111.5
224	D	37.2	Very low	38.7	Very low	139 Å²	139	154.1 Å²	154.1	74%	0.743	79%	0.785	S	S	*	*			cis	-151.2	175.3	32.7	-110	-53.8	0	0	0	115.9
225	S	41.1	Very low	38.8	Very low	91 Å²	91	157.2 Å²	157.2	64%	0.636	79%	0.788	S	S	*	*			trans	-82.7	153.7	178	63.4	0	0	0	0	115.3
226	K	35.2	Very low	38.9	Very low	195 Å²	195	162.9 Å²	162.9	85%	0.848	79%	0.79	S	S	*	*				166.9	134.8	115	-101	174.4	176.9	168	0	117.8
227	A	36.7	Very low	38.8	Very low	89 Å²	89	160.1 Å²	160.1	74%	0.736	78%	0.78	S	S	*	*				49.4	107.8	129.1	0	0	0	0	0	123.7
228	A	39.8	Very low	38.9	Very low	95 Å²	95	156.5 Å²	156.5	79%	0.785	77%	0.771	S	S	*	*				20.6	132.1	125.5	0	0	0	0	0	122.7
229	K	36.7	Very low	39.2	Very low	190 Å²	190	161 Å²	161	83%	0.826	78%	0.775	S	S	*	*				-173.8	126.1	121.3	-106.7	166	-173.8	169.2	0	116.8
230	K	36.6	Very low	39.6	Very low	166 Å²	166	159.6 Å²	159.6	72%	0.722	77%	0.774	S	S	*	*				56.1	129.1	129.4	-85.5	178.4	171.6	164.3	0	123.6
231	K	38.9	Very low	39.9	Very low	155 Å²	155	159.2 Å²	159.2	67%	0.674	77%	0.773	S	S	*	*				95.8	119	124.8	-80.8	174.9	176.1	177.3	0	121.7
232	K	37.3	Very low	40.2	Very low	163 Å²	163	162.3 Å²	162.3	71%	0.709	78%	0.777	S	S	*	*				121.9	132.3	104	-101.8	179.8	176.1	-179	0	119.3
233	K	35	Very low	40.6	Very low	184 Å²	184	168.2 Å²	168.2	80%	0.8	79%	0.792	S	S	*	*			trans	71.3	151.3	152	-68.3	-176.8	171.9	-175.5	0	116.4
234	K	41.7	Very low	40.7	Very low	203 Å²	203	167.4 Å²	167.4	88%	0.883	79%	0.791	S	S	*	*			cis	-133.9	162.1	22.8	-72.9	176.5	176.5	171.3	0	115.1
235	K	40.3	Very low	40.8	Very low	196 Å²	196	168.9 Å²	168.9	85%	0.852	79%	0.794	S	S	*	*			trans	-87.3	152.8	164.3	-66.4	177.2	171.3	-177.5	0	111.8
236	K	40	Very low	40.8	Very low	197 Å²	197	173.2 Å²	173.2	86%	0.857	80%	0.803	S	S	*	*			trans	-174.4	114.3	130.6	-105	-178.9	175.9	-173.2	0	109.6
237	H	39.6	Very low	41.2	Very low	158 Å²	158	171.9 Å²	171.9	73%	0.731	80%	0.8	S	S	*	*				73.4	115.4	102.8	-86.1	-115.1	0	0	0	115
238	K	42.3	Very low	41.4	Very low	176 Å²	176	177.1 Å²	177.1	77%	0.765	80%	0.804	S	S	*	*				76.2	126.1	80.1	-164.3	-180	-176.7	-179.8	0	110.1
239	K	42.2	Very low	41.5	Very low	179 Å²	179	182.6 Å²	182.6	78%	0.778	81%	0.805	S	S	*	*				-163.8	171.1	53.1	-158.7	179.1	174.6	-165.3	0	112.7
240	K	48	Very low	41.9	Very low	187 Å²	187	182.1 Å²	182.1	81%	0.813	80%	0.804	S	S	*	*			trans	-67.4	151	174.6	-54.9	174.1	174.8	-176.7	0	114.5
241	H	43.9	Very low	42.3	Very low	170 Å²	170	183.3 Å²	183.3	79%	0.787	81%	0.81	S	S	*	*				-163.4	159.4	127.4	-88.7	-80.5	0	0	0	104.5
242	K	51.8	Low	42.6	Very low	178 Å²	178	185.7 Å²	185.7	77%	0.774	82%	0.821	S	S	*	*			cis	45.6	105.2	-2.6	-165.5	-179.2	-176.1	-153.2	0	118.6
243	E	49	Very low	43.1	Very low	237 Å²	237	187.7 Å²	187.7	100%	1.107	83%	0.832	S	S	*	*				-119.5	0	98.7	-156.9	150.8	128.2	0	0	108.3

Retrieved 243 of 243 residues in 50.3 ms (Link to these results)

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