A0A087Y9P4_POEFO Loading...

Leucine rich melanocyte differentiation associated

AlphaFold DB , UniProt , Accession A0A087Y9P4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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	67	Low	92.2	Very high	165 Å²	165	92.1 Å²	92.1	81%	0.813	47%	0.465	S	S	*	.				0	133.1	0	-166.7	170.9	-173.2	0	0	107.5	T3 R23	M1-T3 HydrophobicContact CG-CG2 4.41Å; M1-T3 PolarHBondContact O-N 3.45Å; M1-R23 HydrophobicContact CE-CB 3.72Å; M1-R23 WeakPolarHBondContact CE-O 3.44Å
2	F	84.4	Confident	92.6	Very high	148 Å²	148	93.7 Å²	93.7	65%	0.649	48%	0.476	S	S	*	.			trans	-91.3	77.6	-174.2	-56.7	-77.9	0	0	0	110.5	E4 L5 L24	F2-E4 VanDerWaalsContact C-N 3.29Å; F2-E4 PolarHBondContact O-N 3.26Å; F2-L5 HydrophobicContact CB-CB 3.96Å; F2-L5 HydrophobicContact CB-CD2 4.49Å; F2-L24 HydrophobicContact CB-CD2 4.16Å; F2-L24 WeakPolarHBondContact O-CD2 3.44Å
3	T	87.3	Confident	92.8	Very high	71 Å²	71	93.4 Å²	93.4	44%	0.436	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.8	-173.5	54.3	0	0	0	0	113.9	M1	M1-T3 HydrophobicContact CG-CG2 4.41Å; M1-T3 PolarHBondContact O-N 3.45Å
4	E	95.2	Very high	92.9	Very high	120 Å²	120	94.9 Å²	94.9	56%	0.561	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	9.3	-177.4	-56.9	-59.1	119.1	0	0	112.7	F2 E6 K26	F2-E4 VanDerWaalsContact C-N 3.29Å; F2-E4 PolarHBondContact O-N 3.26Å; E4-E6 PolarHBondContact O-N 2.62Å; E4-K26 WeakPolarHBondContact OE1-CE 3.4Å; E4-K26 IonicContact OE1-NZ 2.92Å; E4-K26 PolarHBondContact OE1-NZ 3.43Å; E4-K26 IonicContact OE2-NZ 2.62Å; E4-K26 PolarHBondContact OE2-NZ 2.78Å
5	L	97.1	Very high	93	Very high	52 Å²	52	91.4 Å²	91.4	27%	0.272	47%	0.468	S	S	.	.			trans	-73.7	121.1	179.3	-172.1	70.7	0	0	0	109.9	F2 E7 L8 L24 K26 L27	F2-L5 HydrophobicContact CB-CB 3.96Å; F2-L5 HydrophobicContact CB-CD2 4.49Å; L5-E7 WeakPolarHBondContact CD1-O 3.39Å; L5-L8 HydrophobicContact CD2-CB 4.24Å; L5-L8 HydrophobicContact CD2-CD1 4.39Å; L5-L24 HydrophobicContact CB-CD2 4.26Å; L5-L24 HydrophobicContact CD2-CD1 4.21Å; L5-L24 HydrophobicContact CD2-CD2 3.94Å; L5-K26 CarbonylContact O-C 3.49Å; L5-K26 VanDerWaalsContact O-C 3.3Å; L5-L27 HydrophobicContact CD2-CD1 4.03Å; L5-L27 HydrophobicContact CG-CD1 3.92Å; L5-L27 WeakPolarHBondContact O-CA 3.43Å; L5-L27 PolarHBondContact O-N 3.43Å; L5-L27 VanDerWaalsContact O-N 3.13Å
6	E	97.8	Very high	93	Very high	102 Å²	102	86.6 Å²	86.6	48%	0.477	45%	0.448	S	S	.	.			trans	-105.1	-35.8	-176.9	-74.9	-179.7	177	0	0	112.2	E4 K26 L27 H28 T29	E4-E6 PolarHBondContact O-N 2.62Å; E6-K26 HydrophobicContact CG-CB 4.39Å; E6-L27 CarbonylContact O-C 3.49Å; E6-L27 WeakPolarHBondContact O-CA 3.47Å; E6-L27 WeakPolarHBondContact O-CD1 3.3Å; E6-H28 PolarHBondContact O-N 2.91Å; E6-T29 PolarHBondContact O-N 2.92Å; E6-T29 VanDerWaalsContact O-N 3.13Å
7	E	98.1	Very high	93	Very high	118 Å²	118	86.1 Å²	86.1	55%	0.551	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	134.7	-177.7	-51.3	-166.5	155.4	0	0	111.4	L5 H28 T29	L5-E7 WeakPolarHBondContact CD1-O 3.39Å; E7-H28 IonicContact OE1-CE1 3.43Å; E7-H28 PolarHBondContact OE1-CE1 2.69Å; E7-T29 WeakPolarHBondContact CA-O 3.46Å
8	L	97.8	Very high	93	Very high	43 Å²	43	88.5 Å²	88.5	23%	0.225	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	119.3	178.8	-178.4	62.7	0	0	0	109.9	L5 V10 L21 L24 L27 T29 L30 T31	L5-L8 HydrophobicContact CD2-CB 4.24Å; L5-L8 HydrophobicContact CD2-CD1 4.39Å; L8-V10 HydrophobicContact CD1-CG2 3.78Å; L8-V10 HydrophobicContact CD2-CG2 3.84Å; L8-V10 HydrophobicContact CG-CG2 3.48Å; L8-V10 VanDerWaalsContact CG-CG2 3.48Å; L8-L21 HydrophobicContact CD2-CD2 4.16Å; L8-L24 HydrophobicContact CD2-CD1 4.47Å; L8-L27 HydrophobicContact CB-CD1 3.63Å; L8-L27 HydrophobicContact CB-CD2 4.39Å; L8-T29 PolarHBondContact N-O 3.06Å; L8-L30 HydrophobicContact CB-CD1 4.11Å; L8-L30 HydrophobicContact CD2-CD1 3.97Å; L8-L30 HydrophobicContact CG-CD1 4.12Å; L8-L30 WeakPolarHBondContact O-CA 3.47Å; L8-T31 PolarHBondContact O-N 3.11Å
9	V	97.6	Very high	93	Very high	102 Å²	102	85.1 Å²	85.1	62%	0.618	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.7	114.3	176.9	175.8	0	0	0	0	108	T31	V9-T31 WeakPolarHBondContact CA-OG1 3.16Å; V9-T31 WeakPolarHBondContact CG1-OG1 3.47Å; V9-T31 HydrophobicContact CG2-CG2 4.23Å
10	V	95.9	Very high	93	Very high	32 Å²	32	87.8 Å²	87.8	19%	0.194	45%	0.453	C	S	.	.			trans	-129.6	42.2	-178.5	-150.5	0	0	0	0	110.5	L8 N13 L15 T31 L32 N35	L8-V10 HydrophobicContact CD1-CG2 3.78Å; L8-V10 HydrophobicContact CD2-CG2 3.84Å; L8-V10 HydrophobicContact CG-CG2 3.48Å; L8-V10 VanDerWaalsContact CG-CG2 3.48Å; V10-N13 WeakPolarHBondContact CA-ND2 3.46Å; V10-N13 HydrophobicContact CG1-CB 4.13Å; V10-N13 VanDerWaalsContact CG1-ND2 3.3Å; V10-N13 WeakPolarHBondContact CG1-ND2 3.43Å; V10-N13 PolarHBondContact O-ND2 2.93Å; V10-L15 HydrophobicContact CB-CD1 4.18Å; V10-L15 HydrophobicContact CG1-CD1 3.66Å; V10-T31 PolarHBondContact N-O 3.24Å; V10-L32 HydrophobicContact CB-CD2 3.98Å; V10-L32 HydrophobicContact CG2-CD2 4.23Å; V10-N35 PolarHBondContact O-ND2 3.18Å
11	D	96.4	Very high	93	Very high	60 Å²	60	84.6 Å²	84.6	32%	0.321	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	143	179.8	-67.9	1.3	0	0	0	111.7	N13 T31 L32 N33	D11-N13 PolarHBondContact O-N 3.13Å; D11-N13 PolarHBondContact O-ND2 3.44Å; D11-T31 VanDerWaalsContact CG-OG1 3.31Å; D11-T31 VanDerWaalsContact OD1-C 3.23Å; D11-T31 VanDerWaalsContact OD1-CB 3.23Å; D11-T31 WeakPolarHBondContact OD1-CB 3.35Å; D11-T31 PolarHBondContact OD1-OG1 3.49Å; D11-L32 PolarHBondContact OD1-N 3.34Å; D11-N33 CarbonylContact C-O 3.6Å; D11-N33 VanDerWaalsContact CA-O 3.22Å; D11-N33 WeakPolarHBondContact CA-O 3.22Å; D11-N33 HydrophobicContact CB-CB 4.23Å; D11-N33 PolarHBondContact OD1-N 2.87Å; D11-N33 PolarHBondContact OD1-ND2 3.3Å; D11-N33 PolarHBondContact OD2-ND2 3.24Å
12	N	96.1	Very high	94.4	Very high	111 Å²	111	80 Å²	80	59%	0.594	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	42.7	172.8	-160.9	43.8	0	0	0	114.8	N33 K34	N12-N33 PolarHBondContact N-O 3.02Å; N12-K34 WeakPolarHBondContact CA-O 3.38Å; N12-K34 HydrophobicContact CB-CB 4.46Å
13	N	96.1	Very high	94.9	Very high	90 Å²	90	80.7 Å²	80.7	48%	0.481	42%	0.417	S	S	.	.	S	Bend	trans	-110.7	10.9	-178.7	-72.9	-72.2	0	0	0	113.8	V10 D11 L15 N35	V10-N13 WeakPolarHBondContact CA-ND2 3.46Å; V10-N13 HydrophobicContact CG1-CB 4.13Å; V10-N13 VanDerWaalsContact CG1-ND2 3.3Å; V10-N13 WeakPolarHBondContact CG1-ND2 3.43Å; V10-N13 PolarHBondContact O-ND2 2.93Å; D11-N13 PolarHBondContact O-N 3.13Å; D11-N13 PolarHBondContact O-ND2 3.44Å; N13-L15 HydrophobicContact CB-CD1 4.24Å; N13-L15 HydrophobicContact CB-CD2 4.39Å; N13-L15 HydrophobicContact CB-CG 3.89Å; N13-L15 PolarHBondContact O-N 3.33Å; N13-L15 VanDerWaalsContact O-N 3.11Å; N13-N35 VanDerWaalsContact C-OD1 3.27Å; N13-N35 WeakPolarHBondContact CA-OD1 3.48Å; N13-N35 PolarHBondContact N-OD1 3.33Å
14	L	94.3	Very high	95.3	Very high	115 Å²	115	77.5 Å²	77.5	60%	0.602	40%	0.397	S	S	*	.			trans	55.8	26.5	-179.8	-50	171.8	0	0	0	113.4	G16 N35	L14-G16 PolarHBondContact O-N 3.17Å; L14-N35 PolarHBondContact N-OD1 3.06Å
15	L	94.4	Very high	95.3	Very high	42 Å²	42	74.1 Å²	74.1	22%	0.22	39%	0.386	C	S	.	.			trans	-65.7	129.4	-177.9	-61.5	170.2	0	0	0	110.5	V10 N13 L19 L32 N35 Q36 L37	V10-L15 HydrophobicContact CB-CD1 4.18Å; V10-L15 HydrophobicContact CG1-CD1 3.66Å; N13-L15 HydrophobicContact CB-CD1 4.24Å; N13-L15 HydrophobicContact CB-CD2 4.39Å; N13-L15 HydrophobicContact CB-CG 3.89Å; N13-L15 PolarHBondContact O-N 3.33Å; N13-L15 VanDerWaalsContact O-N 3.11Å; L15-L19 HydrophobicContact CD1-CD1 4Å; L15-L19 HydrophobicContact CD1-CD2 4.42Å; L15-L19 HydrophobicContact CD2-CD1 4.33Å; L15-L32 HydrophobicContact CD1-CD2 4.08Å; L15-N35 HydrophobicContact CB-CB 4.01Å; L15-N35 WeakPolarHBondContact CG-OD1 3.5Å; L15-N35 PolarHBondContact N-OD1 3.13Å; L15-Q36 CarbonylContact O-C 3.29Å; L15-Q36 VanDerWaalsContact O-C 3.27Å; L15-Q36 WeakPolarHBondContact O-CA 3.46Å; L15-Q36 PolarHBondContact O-N 3.2Å; L15-L37 PolarHBondContact O-N 2.9Å
16	G	93.1	Very high	95.3	Very high	15 Å²	15	75.9 Å²	75.9	16%	0.155	39%	0.391	C	S	.	.			trans	-94.9	-169	174.6	0	0	0	0	0	112.4	L14 D18 L19 L37	L14-G16 PolarHBondContact O-N 3.17Å; G16-D18 VanDerWaalsContact C-OD1 3.31Å; G16-D18 WeakPolarHBondContact CA-OD1 3.43Å; G16-D18 PolarHBondContact N-OD1 3.08Å; G16-D18 PolarHBondContact O-N 3.24Å; G16-D18 VanDerWaalsContact O-N 3.13Å; G16-L19 PolarHBondContact O-N 3.29Å; G16-L37 WeakPolarHBondContact O-CD2 3.29Å
17	N	92.5	Very high	95.4	Very high	77 Å²	77	71 Å²	71	41%	0.412	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-3.5	177.7	-51.9	-50.8	0	0	0	113.4	L19 T38 D39	N17-L19 VanDerWaalsContact C-N 3.25Å; N17-T38 PolarHBondContact ND2-OG1 3.04Å; N17-T38 PolarHBondContact OD1-N 2.92Å; N17-D39 HydrophobicContact CB-CB 4.47Å; N17-D39 PolarHBondContact OD1-N 3.43Å
18	D	92.9	Very high	95.4	Very high	130 Å²	130	67.9 Å²	67.9	70%	0.695	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	0.4	172.5	65.1	-41.2	0	0	0	113.1	G16 Q20	G16-D18 VanDerWaalsContact C-OD1 3.31Å; G16-D18 WeakPolarHBondContact CA-OD1 3.43Å; G16-D18 PolarHBondContact N-OD1 3.08Å; G16-D18 PolarHBondContact O-N 3.24Å; G16-D18 VanDerWaalsContact O-N 3.13Å; D18-Q20 PolarHBondContact O-N 3.44Å; D18-Q20 VanDerWaalsContact O-N 3.17Å
19	L	92.9	Very high	95.4	Very high	24 Å²	24	67 Å²	67	13%	0.126	35%	0.35	C	S	.	.			trans	-52.6	121.2	174	177.5	62	0	0	0	110.9	L15 G16 N17 L21 L32 L43	L15-L19 HydrophobicContact CD1-CD1 4Å; L15-L19 HydrophobicContact CD1-CD2 4.42Å; L15-L19 HydrophobicContact CD2-CD1 4.33Å; G16-L19 PolarHBondContact O-N 3.29Å; N17-L19 VanDerWaalsContact C-N 3.25Å; L19-L21 HydrophobicContact CD1-CD2 4.11Å; L19-L32 HydrophobicContact CD2-CD1 3.82Å; L19-L32 HydrophobicContact CD2-CD2 3.95Å; L19-L43 HydrophobicContact CD2-CD1 4.15Å
20	Q	93.8	Very high	95.4	Very high	139 Å²	139	62.1 Å²	62.1	65%	0.65	32%	0.321	S	S	*	.			trans	-126.2	104.4	175.6	-69.7	-63.5	-64.9	0	0	109.7	D18	D18-Q20 PolarHBondContact O-N 3.44Å; D18-Q20 VanDerWaalsContact O-N 3.17Å
21	L	93.4	Very high	95.5	Very high	20 Å²	20	61.3 Å²	61.3	11%	0.105	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-82.1	138.8	171.1	-62.1	-178.8	0	0	0	110.6	L8 L19 L30 H46 L47 V50	L8-L21 HydrophobicContact CD2-CD2 4.16Å; L19-L21 HydrophobicContact CD1-CD2 4.11Å; L21-L30 HydrophobicContact CD1-CD2 3.95Å; L21-H46 PolarHBondContact N-NE2 3.45Å; L21-H46 PolarHBondContact O-CE1 2.65Å; L21-H46 PolarHBondContact O-NE2 3.28Å; L21-L47 HydrophobicContact CD1-CD2 3.69Å; L21-V50 HydrophobicContact CB-CG2 4.09Å
22	P	95	Very high	95.5	Very high	69 Å²	69	58.4 Å²	58.4	45%	0.448	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-66.8	171	167.4	31.7	-35.1	0	0	0	110.2	L24	P22-L24 HydrophobicContact CG-CD2 4.24Å; P22-L24 HydrophobicContact CG-CG 4.29Å; P22-L24 WeakPolarHBondContact O-CG 3.4Å; P22-L24 PolarHBondContact O-N 3.12Å
23	R	95	Very high	95.5	Very high	162 Å²	162	54.2 Å²	54.2	61%	0.611	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-65.2	121.4	172.7	-169	174.5	-173.8	155.9	3.5	110.6	M1	M1-R23 HydrophobicContact CE-CB 3.72Å; M1-R23 WeakPolarHBondContact CE-O 3.44Å
24	L	96.6	Very high	95.4	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	28%	0.284	C	S	.	.			trans	-127.2	80.3	-175.7	-65.1	170.6	0	0	0	109	F2 L5 L8 P22 K26 L27 V50 T51	F2-L24 HydrophobicContact CB-CD2 4.16Å; F2-L24 WeakPolarHBondContact O-CD2 3.44Å; L5-L24 HydrophobicContact CB-CD2 4.26Å; L5-L24 HydrophobicContact CD2-CD1 4.21Å; L5-L24 HydrophobicContact CD2-CD2 3.94Å; L8-L24 HydrophobicContact CD2-CD1 4.47Å; P22-L24 HydrophobicContact CG-CD2 4.24Å; P22-L24 HydrophobicContact CG-CG 4.29Å; P22-L24 WeakPolarHBondContact O-CG 3.4Å; P22-L24 PolarHBondContact O-N 3.12Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 2.85Å; L24-L27 HydrophobicContact CB-CB 3.78Å; L24-L27 HydrophobicContact CD1-CD2 3.96Å; L24-L27 PolarHBondContact O-N 3.13Å; L24-V50 PolarHBondContact N-O 2.94Å; L24-T51 HydrophobicContact CB-CG2 4.24Å
25	P	95.4	Very high	95.5	Very high	50 Å²	50	51.6 Å²	51.6	33%	0.325	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-22.4	-168.7	27.6	-35.5	0	0	0	114.1	S53	P25-S53 WeakPolarHBondContact O-CB 3.35Å; P25-S53 PolarHBondContact O-OG 3.33Å; P25-S53 VanDerWaalsContact O-OG 3.06Å
26	K	97.3	Very high	95.4	Very high	88 Å²	88	54.9 Å²	54.9	38%	0.383	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-2.8	-179.4	-63.9	-167.1	-178.3	179.2	0	113.9	E4 L5 E6 L24 H28	E4-K26 WeakPolarHBondContact OE1-CE 3.4Å; E4-K26 IonicContact OE1-NZ 2.92Å; E4-K26 PolarHBondContact OE1-NZ 3.43Å; E4-K26 IonicContact OE2-NZ 2.62Å; E4-K26 PolarHBondContact OE2-NZ 2.78Å; L5-K26 CarbonylContact O-C 3.49Å; L5-K26 VanDerWaalsContact O-C 3.3Å; E6-K26 HydrophobicContact CG-CB 4.39Å; L24-K26 VanDerWaalsContact C-N 3.26Å; L24-K26 PolarHBondContact O-N 2.85Å; K26-H28 PolarHBondContact O-N 3.21Å; K26-H28 VanDerWaalsContact O-N 3.12Å
27	L	98.1	Very high	95.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.			trans	-69.2	114.8	-177.1	-168.9	84.2	0	0	0	109.5	L5 E6 L8 L24 L30 T51 S53 L54	L5-L27 HydrophobicContact CD2-CD1 4.03Å; L5-L27 HydrophobicContact CG-CD1 3.92Å; L5-L27 WeakPolarHBondContact O-CA 3.43Å; L5-L27 PolarHBondContact O-N 3.43Å; L5-L27 VanDerWaalsContact O-N 3.13Å; E6-L27 CarbonylContact O-C 3.49Å; E6-L27 WeakPolarHBondContact O-CA 3.47Å; E6-L27 WeakPolarHBondContact O-CD1 3.3Å; L8-L27 HydrophobicContact CB-CD1 3.63Å; L8-L27 HydrophobicContact CB-CD2 4.39Å; L24-L27 HydrophobicContact CB-CB 3.78Å; L24-L27 HydrophobicContact CD1-CD2 3.96Å; L24-L27 PolarHBondContact O-N 3.13Å; L27-L30 HydrophobicContact CD2-CB 4.15Å; L27-L30 HydrophobicContact CD2-CD1 4.44Å; L27-T51 HydrophobicContact CB-CG2 4.36Å; L27-T51 HydrophobicContact CD2-CG2 3.73Å; L27-S53 CarbonylContact O-C 3.3Å; L27-S53 VanDerWaalsContact O-C 3.29Å; L27-L54 HydrophobicContact CD2-CD1 4.5Å; L27-L54 WeakPolarHBondContact O-CA 3.32Å; L27-L54 PolarHBondContact O-N 3Å
28	H	98.1	Very high	95.3	Very high	53 Å²	53	53.7 Å²	53.7	25%	0.245	26%	0.264	C	S	.	.			trans	-108.6	-20.8	177.2	60.3	66.1	0	0	0	112.7	E6 E7 K26 S53 E55 Y56	E6-H28 PolarHBondContact O-N 2.91Å; E7-H28 IonicContact OE1-CE1 3.43Å; E7-H28 PolarHBondContact OE1-CE1 2.69Å; K26-H28 PolarHBondContact O-N 3.21Å; K26-H28 VanDerWaalsContact O-N 3.12Å; H28-S53 WeakPolarHBondContact CA-O 3.49Å; H28-E55 HydrophobicContact CB-CB 4.48Å; H28-E55 HydrophobicContact CB-CG 4.3Å; H28-E55 PolarHBondContact O-N 3.16Å; H28-Y56 PolarHBondContact O-N 3.32Å
29	T	98.4	Very high	95.3	Very high	24 Å²	24	51 Å²	51	15%	0.147	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.2	179.1	-56.7	0	0	0	0	110.9	E6 E7 L8 Y56	E6-T29 PolarHBondContact O-N 2.92Å; E6-T29 VanDerWaalsContact O-N 3.13Å; E7-T29 WeakPolarHBondContact CA-O 3.46Å; L8-T29 PolarHBondContact N-O 3.06Å; T29-Y56 HydrophobicContact CG2-CD1 3.73Å; T29-Y56 HydrophobicContact CG2-CG 4.17Å
30	L	98.3	Very high	95.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	127.1	174.1	179.7	59.1	0	0	0	111	L8 L21 L27 L32 L47 L54 Y56 L57 S58	L8-L30 HydrophobicContact CB-CD1 4.11Å; L8-L30 HydrophobicContact CD2-CD1 3.97Å; L8-L30 HydrophobicContact CG-CD1 4.12Å; L8-L30 WeakPolarHBondContact O-CA 3.47Å; L21-L30 HydrophobicContact CD1-CD2 3.95Å; L27-L30 HydrophobicContact CD2-CB 4.15Å; L27-L30 HydrophobicContact CD2-CD1 4.44Å; L30-L32 HydrophobicContact CD1-CD2 4.12Å; L30-L32 HydrophobicContact CD1-CG 4.08Å; L30-L32 HydrophobicContact CD2-CD1 4.01Å; L30-L32 HydrophobicContact CD2-CG 4.33Å; L30-L32 HydrophobicContact CG-CD1 4.27Å; L30-L32 HydrophobicContact CG-CG 4.05Å; L30-L47 HydrophobicContact CD2-CD1 4.14Å; L30-L47 HydrophobicContact CD2-CD2 3.48Å; L30-L47 VanDerWaalsContact CD2-CD2 3.48Å; L30-L47 HydrophobicContact CD2-CG 4.48Å; L30-L54 HydrophobicContact CB-CD1 3.67Å; L30-Y56 PolarHBondContact N-O 2.63Å; L30-L57 HydrophobicContact CB-CD1 4.29Å; L30-L57 HydrophobicContact CD2-CD1 4.15Å; L30-L57 HydrophobicContact CG-CD1 4.21Å; L30-L57 WeakPolarHBondContact O-CA 3.35Å; L30-S58 PolarHBondContact O-N 3.41Å
31	T	97.8	Very high	95.2	Very high	14 Å²	14	46.7 Å²	46.7	9%	0.086	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129	170.8	85.1	0	0	0	0	109.9	L8 V9 V10 D11 Y56	L8-T31 PolarHBondContact O-N 3.11Å; V9-T31 WeakPolarHBondContact CA-OG1 3.16Å; V9-T31 WeakPolarHBondContact CG1-OG1 3.47Å; V9-T31 HydrophobicContact CG2-CG2 4.23Å; V10-T31 PolarHBondContact N-O 3.24Å; D11-T31 VanDerWaalsContact CG-OG1 3.31Å; D11-T31 VanDerWaalsContact OD1-C 3.23Å; D11-T31 VanDerWaalsContact OD1-CB 3.23Å; D11-T31 WeakPolarHBondContact OD1-CB 3.35Å; D11-T31 PolarHBondContact OD1-OG1 3.49Å; T31-Y56 HydrophobicContact CG2-CE1 4.2Å
32	L	97	Very high	95.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.			trans	-128.9	33.5	179.1	-63.1	170.7	0	0	0	110.1	V10 D11 L15 L19 L30 N35 L37 L43 S58 L59 N62	V10-L32 HydrophobicContact CB-CD2 3.98Å; V10-L32 HydrophobicContact CG2-CD2 4.23Å; D11-L32 PolarHBondContact OD1-N 3.34Å; L15-L32 HydrophobicContact CD1-CD2 4.08Å; L19-L32 HydrophobicContact CD2-CD1 3.82Å; L19-L32 HydrophobicContact CD2-CD2 3.95Å; L30-L32 HydrophobicContact CD1-CD2 4.12Å; L30-L32 HydrophobicContact CD1-CG 4.08Å; L30-L32 HydrophobicContact CD2-CD1 4.01Å; L30-L32 HydrophobicContact CD2-CG 4.33Å; L30-L32 HydrophobicContact CG-CD1 4.27Å; L30-L32 HydrophobicContact CG-CG 4.05Å; L32-N35 PolarHBondContact O-ND2 2.92Å; L32-L37 HydrophobicContact CB-CD1 4.07Å; L32-L37 HydrophobicContact CD1-CD1 4.1Å; L32-L43 HydrophobicContact CD1-CD1 4.27Å; L32-S58 PolarHBondContact N-O 3.21Å; L32-L59 HydrophobicContact CB-CD2 3.87Å; L32-L59 HydrophobicContact CD1-CD2 3.95Å; L32-L59 HydrophobicContact CG-CD2 4.41Å; L32-N62 PolarHBondContact O-ND2 3.28Å
33	N	95.9	Very high	95.2	Very high	23 Å²	23	45.3 Å²	45.3	12%	0.123	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	148.4	-172.7	-57.9	-47.5	0	0	0	111.7	D11 N12 N35 S58 L60	D11-N33 CarbonylContact C-O 3.6Å; D11-N33 VanDerWaalsContact CA-O 3.22Å; D11-N33 WeakPolarHBondContact CA-O 3.22Å; D11-N33 HydrophobicContact CB-CB 4.23Å; D11-N33 PolarHBondContact OD1-N 2.87Å; D11-N33 PolarHBondContact OD1-ND2 3.3Å; D11-N33 PolarHBondContact OD2-ND2 3.24Å; N12-N33 PolarHBondContact N-O 3.02Å; N33-N35 VanDerWaalsContact C-N 3.31Å; N33-N35 PolarHBondContact O-N 2.81Å; N33-N35 PolarHBondContact O-ND2 2.88Å; N33-S58 VanDerWaalsContact OD1-C 3.29Å; N33-S58 WeakPolarHBondContact OD1-CB 3.48Å; N33-S58 PolarHBondContact OD1-O 3.3Å; N33-S58 PolarHBondContact OD1-OG 2.91Å; N33-L60 CarbonylContact C-O 3.56Å; N33-L60 WeakPolarHBondContact CA-O 3.38Å; N33-L60 WeakPolarHBondContact CB-O 3.46Å; N33-L60 PolarHBondContact OD1-N 2.84Å
34	K	94.3	Very high	95.3	Very high	141 Å²	141	37.6 Å²	37.6	61%	0.613	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	43.1	175.6	-55.4	-178.1	179.9	179.1	0	113.5	N12 L60	N12-K34 WeakPolarHBondContact CA-O 3.38Å; N12-K34 HydrophobicContact CB-CB 4.46Å; K34-L60 PolarHBondContact N-O 3.47Å
35	N	95	Very high	95.2	Very high	9 Å²	9	42.2 Å²	42.2	5%	0.048	22%	0.218	C	C	.	.	S	Bend	trans	-101.9	-170	168.4	-74.5	-67	0	0	0	110	V10 N13 L14 L15 L32 N33 L37 N62	V10-N35 PolarHBondContact O-ND2 3.18Å; N13-N35 VanDerWaalsContact C-OD1 3.27Å; N13-N35 WeakPolarHBondContact CA-OD1 3.48Å; N13-N35 PolarHBondContact N-OD1 3.33Å; L14-N35 PolarHBondContact N-OD1 3.06Å; L15-N35 HydrophobicContact CB-CB 4.01Å; L15-N35 WeakPolarHBondContact CG-OD1 3.5Å; L15-N35 PolarHBondContact N-OD1 3.13Å; L32-N35 PolarHBondContact O-ND2 2.92Å; N33-N35 VanDerWaalsContact C-N 3.31Å; N33-N35 PolarHBondContact O-N 2.81Å; N33-N35 PolarHBondContact O-ND2 2.88Å; N35-L37 HydrophobicContact CB-CD1 4.35Å; N35-L37 HydrophobicContact CB-CG 4.32Å; N35-N62 WeakPolarHBondContact CA-OD1 3.32Å; N35-N62 WeakPolarHBondContact CB-OD1 3.34Å; N35-N62 PolarHBondContact N-OD1 3.41Å; N35-N62 VanDerWaalsContact N-OD1 3.13Å; N35-N62 PolarHBondContact O-OD1 2.99Å; N35-N62 VanDerWaalsContact O-OD1 3.05Å
36	Q	93.7	Very high	95.3	Very high	111 Å²	111	41.5 Å²	41.5	52%	0.519	21%	0.21	S	C	.	.			trans	-109.2	33.7	-178.6	-61.3	-179.3	11.2	0	0	111.5	L15 T38	L15-Q36 CarbonylContact O-C 3.29Å; L15-Q36 VanDerWaalsContact O-C 3.27Å; L15-Q36 WeakPolarHBondContact O-CA 3.46Å; L15-Q36 PolarHBondContact O-N 3.2Å; Q36-T38 PolarHBondContact O-N 2.89Å
37	L	92.4	Very high	95.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.191	C	C	.	.			trans	-73.4	126.9	178.2	-62.3	162.5	0	0	0	109.1	L15 G16 L32 N35 L43 L59 N62 E63 A64	L15-L37 PolarHBondContact O-N 2.9Å; G16-L37 WeakPolarHBondContact O-CD2 3.29Å; L32-L37 HydrophobicContact CB-CD1 4.07Å; L32-L37 HydrophobicContact CD1-CD1 4.1Å; N35-L37 HydrophobicContact CB-CD1 4.35Å; N35-L37 HydrophobicContact CB-CG 4.32Å; L37-L43 HydrophobicContact CD1-CD2 3.9Å; L37-L43 HydrophobicContact CD2-CD1 4.46Å; L37-L43 HydrophobicContact CD2-CD2 4.49Å; L37-L59 HydrophobicContact CD1-CD2 4.45Å; L37-N62 HydrophobicContact CB-CB 4.15Å; L37-N62 WeakPolarHBondContact CB-OD1 3.16Å; L37-N62 PolarHBondContact N-OD1 2.77Å; L37-E63 PolarHBondContact O-N 2.9Å; L37-A64 HydrophobicContact CB-CB 4.23Å; L37-A64 WeakPolarHBondContact O-CB 3.39Å; L37-A64 PolarHBondContact O-N 2.81Å
38	T	90.8	Very high	95.2	Very high	66 Å²	66	39.4 Å²	39.4	41%	0.405	21%	0.209	S	C	.	.			trans	-119.9	-33.8	179.3	71.4	0	0	0	0	111.9	N17 Q36 I40 E63	N17-T38 PolarHBondContact ND2-OG1 3.04Å; N17-T38 PolarHBondContact OD1-N 2.92Å; Q36-T38 PolarHBondContact O-N 2.89Å; T38-I40 PolarHBondContact O-N 3.35Å; T38-E63 HydrophobicContact CG2-CB 4.07Å; T38-E63 HydrophobicContact CG2-CG 4.48Å; T38-E63 WeakPolarHBondContact CG2-OE2 3.16Å
39	D	91.4	Very high	95.2	Very high	73 Å²	73	42.8 Å²	42.8	39%	0.39	23%	0.229	S	C	.	.			trans	-93.9	91	179.8	-166.9	-18.6	0	0	0	110.7	N17 E41 A42 L43	N17-D39 HydrophobicContact CB-CB 4.47Å; N17-D39 PolarHBondContact OD1-N 3.43Å; D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 2.96Å; D39-E41 PolarHBondContact OD1-N 3.33Å; D39-E41 VanDerWaalsContact OD1-N 3.11Å; D39-A42 HydrophobicContact CB-CB 4.3Å; D39-A42 PolarHBondContact OD1-N 3.11Å; D39-A42 VanDerWaalsContact OD1-N 3.15Å; D39-L43 WeakPolarHBondContact O-CB 3.49Å; D39-L43 PolarHBondContact O-N 3.2Å
40	I	92.4	Very high	95.1	Very high	29 Å²	29	42.1 Å²	42.1	15%	0.149	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-33.1	178.9	-171.7	57.7	0	0	0	112.4	T38 L43 L44 L59 A64 Y82 F85 V86	T38-I40 PolarHBondContact O-N 3.35Å; I40-L43 HydrophobicContact CD1-CD2 4.41Å; I40-L44 HydrophobicContact CD1-CD1 4.1Å; I40-L44 HydrophobicContact CD1-CD2 4.36Å; I40-L44 HydrophobicContact CD1-CG 4.01Å; I40-L44 HydrophobicContact CG1-CD1 3.81Å; I40-L44 HydrophobicContact CG1-CG 4.19Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 WeakPolarHBondContact O-CG 3.34Å; I40-L44 PolarHBondContact O-N 3.15Å; I40-L59 HydrophobicContact CD1-CD1 3.47Å; I40-L59 VanDerWaalsContact CD1-CD1 3.47Å; I40-A64 HydrophobicContact CB-CB 4.04Å; I40-A64 HydrophobicContact CD1-CB 4.41Å; I40-Y82 HydrophobicContact CD1-CE2 3.9Å; I40-Y82 HydrophobicContact CG1-CD2 4.35Å; I40-Y82 HydrophobicContact CG1-CE2 4.08Å; I40-F85 HydrophobicContact CG2-CD1 4.36Å; I40-F85 HydrophobicContact CG2-CE1 4.03Å; I40-V86 HydrophobicContact CD1-CG2 4.41Å; I40-V86 HydrophobicContact CG1-CG2 4.48Å
41	E	92.6	Very high	95	Very high	44 Å²	44	42.1 Å²	42.1	21%	0.206	23%	0.225	C	C	.	.	H	α-helix	trans	-72.5	-49.3	-174	179.6	164	-134.4	0	0	111	D39 L43 L44 E45 F85 K89 K117	D39-E41 VanDerWaalsContact C-N 3.3Å; D39-E41 PolarHBondContact O-N 2.96Å; D39-E41 PolarHBondContact OD1-N 3.33Å; D39-E41 VanDerWaalsContact OD1-N 3.11Å; E41-L43 VanDerWaalsContact C-N 3.26Å; E41-L43 PolarHBondContact O-N 2.89Å; E41-L44 PolarHBondContact O-N 2.85Å; E41-E45 WeakPolarHBondContact O-CG 3.39Å; E41-E45 PolarHBondContact O-N 2.8Å; E41-F85 HydrophobicContact CB-CE1 4.29Å; E41-F85 HydrophobicContact CB-CZ 4.09Å; E41-F85 HydrophobicContact CG-CZ 4.16Å; E41-K89 IonicContact OE1-NZ 2.78Å; E41-K89 PolarHBondContact OE1-NZ 3.39Å; E41-K117 VanDerWaalsContact OE2-CE 3.3Å; E41-K117 WeakPolarHBondContact OE2-CE 3.3Å; E41-K117 IonicContact OE2-NZ 3.59Å; E41-K117 PolarHBondContact OE2-NZ 3.05Å
42	A	93.3	Very high	94.9	Very high	46 Å²	46	44.5 Å²	44.5	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-40.5	177.2	0	0	0	0	0	111.6	D39 H46	D39-A42 HydrophobicContact CB-CB 4.3Å; D39-A42 PolarHBondContact OD1-N 3.11Å; D39-A42 VanDerWaalsContact OD1-N 3.15Å; A42-H46 WeakPolarHBondContact O-CB 3.15Å; A42-H46 PolarHBondContact O-N 3.45Å
43	L	95.4	Very high	94.9	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-60.5	-49.9	175.6	177.4	66.6	0	0	0	111.8	L19 L32 L37 D39 I40 E41 E45 H46 L47 L59	L19-L43 HydrophobicContact CD2-CD1 4.15Å; L32-L43 HydrophobicContact CD1-CD1 4.27Å; L37-L43 HydrophobicContact CD1-CD2 3.9Å; L37-L43 HydrophobicContact CD2-CD1 4.46Å; L37-L43 HydrophobicContact CD2-CD2 4.49Å; D39-L43 WeakPolarHBondContact O-CB 3.49Å; D39-L43 PolarHBondContact O-N 3.2Å; I40-L43 HydrophobicContact CD1-CD2 4.41Å; E41-L43 VanDerWaalsContact C-N 3.26Å; E41-L43 PolarHBondContact O-N 2.89Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.06Å; L43-H46 WeakPolarHBondContact O-CB 3.48Å; L43-H46 PolarHBondContact O-N 2.85Å; L43-L47 HydrophobicContact CD1-CD1 4.21Å; L43-L47 HydrophobicContact CD1-CG 4.23Å; L43-L47 HydrophobicContact CG-CD1 4.07Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.3Å; L43-L47 PolarHBondContact O-N 3.36Å; L43-L59 HydrophobicContact CD2-CD1 3.98Å; L43-L59 HydrophobicContact CD2-CD2 3.93Å
44	L	96.3	Very high	95.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-36.6	-177.4	-67.6	171.9	0	0	0	112.2	I40 E41 L47 A48 L57 F85 V86 K89 L90	I40-L44 HydrophobicContact CD1-CD1 4.1Å; I40-L44 HydrophobicContact CD1-CD2 4.36Å; I40-L44 HydrophobicContact CD1-CG 4.01Å; I40-L44 HydrophobicContact CG1-CD1 3.81Å; I40-L44 HydrophobicContact CG1-CG 4.19Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 WeakPolarHBondContact O-CG 3.34Å; I40-L44 PolarHBondContact O-N 3.15Å; E41-L44 PolarHBondContact O-N 2.85Å; L44-L47 PolarHBondContact O-N 3.19Å; L44-A48 WeakPolarHBondContact O-CB 3.23Å; L44-A48 PolarHBondContact O-N 2.63Å; L44-L57 HydrophobicContact CD2-CD2 4.2Å; L44-F85 HydrophobicContact CD1-CD1 4.02Å; L44-F85 HydrophobicContact CD1-CE1 3.88Å; L44-V86 HydrophobicContact CD1-CB 4.33Å; L44-V86 HydrophobicContact CD1-CG2 4Å; L44-V86 HydrophobicContact CD2-CG1 3.88Å; L44-V86 HydrophobicContact CD2-CG2 4.39Å; L44-K89 HydrophobicContact CB-CB 4.04Å; L44-K89 HydrophobicContact CB-CG 4.36Å; L44-K89 HydrophobicContact CD1-CB 4.06Å; L44-K89 HydrophobicContact CD1-CG 4.12Å; L44-L90 HydrophobicContact CD2-CD1 3.54Å; L44-L90 HydrophobicContact CD2-CG 4.16Å
45	E	95.9	Very high	95.2	Very high	102 Å²	102	43.1 Å²	43.1	48%	0.477	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-43.6	174.6	-73.6	176.8	-177.6	0	0	111.5	E41 L43 A48 D49 K89	E41-E45 WeakPolarHBondContact O-CG 3.39Å; E41-E45 PolarHBondContact O-N 2.8Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.06Å; E45-A48 PolarHBondContact O-N 3.05Å; E45-D49 PolarHBondContact O-N 2.83Å; E45-K89 IonicContact OE1-NZ 2.73Å; E45-K89 PolarHBondContact OE1-NZ 2.68Å
46	H	97.1	Very high	95.4	Very high	34 Å²	34	46.2 Å²	46.2	16%	0.157	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-48.2	173.8	-175	71.6	0	0	0	111.8	L21 A42 L43 A48 D49 V50	L21-H46 PolarHBondContact N-NE2 3.45Å; L21-H46 PolarHBondContact O-CE1 2.65Å; L21-H46 PolarHBondContact O-NE2 3.28Å; A42-H46 WeakPolarHBondContact O-CB 3.15Å; A42-H46 PolarHBondContact O-N 3.45Å; L43-H46 WeakPolarHBondContact O-CB 3.48Å; L43-H46 PolarHBondContact O-N 2.85Å; H46-A48 VanDerWaalsContact C-N 3.35Å; H46-A48 PolarHBondContact O-N 2.89Å; H46-D49 PolarHBondContact O-N 3.14Å; H46-V50 WeakPolarHBondContact O-CG2 3.45Å; H46-V50 PolarHBondContact O-N 3.2Å; H46-V50 VanDerWaalsContact O-N 3.08Å
47	L	97.4	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-40	179.6	-68.4	180	0	0	0	112.4	L21 L30 L43 L44 D49 V50 T51 L57	L21-L47 HydrophobicContact CD1-CD2 3.69Å; L30-L47 HydrophobicContact CD2-CD1 4.14Å; L30-L47 HydrophobicContact CD2-CD2 3.48Å; L30-L47 VanDerWaalsContact CD2-CD2 3.48Å; L30-L47 HydrophobicContact CD2-CG 4.48Å; L43-L47 HydrophobicContact CD1-CD1 4.21Å; L43-L47 HydrophobicContact CD1-CG 4.23Å; L43-L47 HydrophobicContact CG-CD1 4.07Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.3Å; L43-L47 PolarHBondContact O-N 3.36Å; L44-L47 PolarHBondContact O-N 3.19Å; L47-D49 PolarHBondContact O-N 3.4Å; L47-V50 PolarHBondContact O-N 3.03Å; L47-T51 PolarHBondContact O-N 3.48Å; L47-T51 PolarHBondContact O-OG1 3.47Å; L47-L57 HydrophobicContact CD1-CD1 4.11Å; L47-L57 HydrophobicContact CD1-CD2 4.23Å
48	A	96.8	Very high	95.8	Very high	45 Å²	45	41.1 Å²	41.1	37%	0.372	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-35.8	177.7	0	0	0	0	0	112.3	L44 E45 H46 L90	L44-A48 WeakPolarHBondContact O-CB 3.23Å; L44-A48 PolarHBondContact O-N 2.63Å; E45-A48 PolarHBondContact O-N 3.05Å; H46-A48 VanDerWaalsContact C-N 3.35Å; H46-A48 PolarHBondContact O-N 2.89Å; A48-L90 HydrophobicContact CB-CD2 3.75Å
49	D	96.6	Very high	96.1	Very high	124 Å²	124	38 Å²	38	66%	0.663	21%	0.211	S	C	*	.	H	α-helix	trans	-76.6	-46.4	178.5	-174.9	62.8	0	0	0	112.4	E45 H46 L47	E45-D49 PolarHBondContact O-N 2.83Å; H46-D49 PolarHBondContact O-N 3.14Å; L47-D49 PolarHBondContact O-N 3.4Å
50	V	96.7	Very high	96.1	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.055	21%	0.205	C	C	.	.	H	α-helix	trans	-90.9	-20.2	-168.6	-59.7	0	0	0	0	114.5	L21 L24 H46 L47 P52	L21-V50 HydrophobicContact CB-CG2 4.09Å; L24-V50 PolarHBondContact N-O 2.94Å; H46-V50 WeakPolarHBondContact O-CG2 3.45Å; H46-V50 PolarHBondContact O-N 3.2Å; H46-V50 VanDerWaalsContact O-N 3.08Å; L47-V50 PolarHBondContact O-N 3.03Å; V50-P52 WeakPolarHBondContact O-CD 3.41Å
51	T	96.8	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.212	C	C	.	.			trans	-126.9	68.3	-174.7	58.8	0	0	0	0	112.2	L24 L27 L47 S53 L54	L24-T51 HydrophobicContact CB-CG2 4.24Å; L27-T51 HydrophobicContact CB-CG2 4.36Å; L27-T51 HydrophobicContact CD2-CG2 3.73Å; L47-T51 PolarHBondContact O-N 3.48Å; L47-T51 PolarHBondContact O-OG1 3.47Å; T51-S53 PolarHBondContact O-N 3.05Å; T51-S53 VanDerWaalsContact O-N 3.16Å; T51-L54 WeakPolarHBondContact O-CB 3.15Å; T51-L54 PolarHBondContact O-N 3.38Å
52	P	96	Very high	95.9	Very high	64 Å²	64	34.8 Å²	34.8	42%	0.416	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.9	-174.4	26.6	-36.4	0	0	0	114.2	V50	V50-P52 WeakPolarHBondContact O-CD 3.41Å
53	S	97.1	Very high	95.6	Very high	60 Å²	60	38.1 Å²	38.1	42%	0.42	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	13	-178.9	-66.6	0	0	0	0	113.9	P25 L27 H28 T51 E55	P25-S53 WeakPolarHBondContact O-CB 3.35Å; P25-S53 PolarHBondContact O-OG 3.33Å; P25-S53 VanDerWaalsContact O-OG 3.06Å; L27-S53 CarbonylContact O-C 3.3Å; L27-S53 VanDerWaalsContact O-C 3.29Å; H28-S53 WeakPolarHBondContact CA-O 3.49Å; T51-S53 PolarHBondContact O-N 3.05Å; T51-S53 VanDerWaalsContact O-N 3.16Å; S53-E55 WeakPolarHBondContact O-CG 3.43Å; S53-E55 PolarHBondContact O-N 3.13Å
54	L	98.3	Very high	95.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.			trans	-64.4	124.1	-176.8	-168.6	67.4	0	0	0	111.8	L27 L30 T51 L57 L90 Q92 L93	L27-L54 HydrophobicContact CD2-CD1 4.5Å; L27-L54 WeakPolarHBondContact O-CA 3.32Å; L27-L54 PolarHBondContact O-N 3Å; L30-L54 HydrophobicContact CB-CD1 3.67Å; T51-L54 WeakPolarHBondContact O-CB 3.15Å; T51-L54 PolarHBondContact O-N 3.38Å; L54-L57 HydrophobicContact CD2-CB 4.36Å; L54-L90 HydrophobicContact CD2-CD1 4.37Å; L54-Q92 WeakPolarHBondContact O-CG 3.17Å; L54-L93 HydrophobicContact CD2-CD2 4.3Å; L54-L93 HydrophobicContact CG-CD2 4.07Å
55	E	98.2	Very high	94.4	Very high	76 Å²	76	37.9 Å²	37.9	36%	0.355	21%	0.209	S	C	.	.			trans	-119.2	-26.9	-179.8	-59.4	-168.3	159.3	0	0	113.1	H28 S53 K94 F95	H28-E55 HydrophobicContact CB-CB 4.48Å; H28-E55 HydrophobicContact CB-CG 4.3Å; H28-E55 PolarHBondContact O-N 3.16Å; S53-E55 WeakPolarHBondContact O-CG 3.43Å; S53-E55 PolarHBondContact O-N 3.13Å; E55-K94 HydrophobicContact CB-CD 4.39Å; E55-K94 HydrophobicContact CB-CG 4.38Å; E55-K94 VanDerWaalsContact CD-CE 3.45Å; E55-K94 PolarHBondContact O-N 2.91Å; E55-K94 VanDerWaalsContact OE1-CE 3.32Å; E55-K94 WeakPolarHBondContact OE1-CE 3.22Å; E55-K94 IonicContact OE1-NZ 3.6Å; E55-K94 PolarHBondContact OE1-NZ 2.93Å; E55-K94 WeakPolarHBondContact OE2-CD 3.23Å; E55-K94 VanDerWaalsContact OE2-CE 3.3Å; E55-K94 WeakPolarHBondContact OE2-CE 3.33Å; E55-K94 IonicContact OE2-NZ 3.59Å; E55-K94 PolarHBondContact OE2-NZ 3.43Å; E55-F95 PolarHBondContact O-N 2.83Å
56	Y	98.5	Very high	93.1	Very high	74 Å²	74	33.9 Å²	33.9	29%	0.29	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.6	-179.9	-174	-78.8	0	0	0	109.8	H28 T29 L30 T31 F95 D97	H28-Y56 PolarHBondContact O-N 3.32Å; T29-Y56 HydrophobicContact CG2-CD1 3.73Å; T29-Y56 HydrophobicContact CG2-CG 4.17Å; L30-Y56 PolarHBondContact N-O 2.63Å; T31-Y56 HydrophobicContact CG2-CE1 4.2Å; Y56-F95 HydrophobicContact CD2-CB 3.26Å; Y56-F95 HydrophobicContact CD2-CD2 4.29Å; Y56-F95 AromaticContact CD2-CG 3.85Å; Y56-F95 HydrophobicContact CD2-CG 3.85Å; Y56-F95 HydrophobicContact CE2-CB 3.66Å; Y56-F95 HydrophobicContact CE2-CD1 4.48Å; Y56-F95 HydrophobicContact CE2-CG 4.17Å; Y56-F95 HydrophobicContact CG-CB 4.14Å; Y56-D97 PolarHBondContact OH-O 2.84Å; Y56-D97 VanDerWaalsContact OH-O 3.11Å
57	L	98.3	Very high	91.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.9	175.5	177.9	61.6	0	0	0	109.8	L30 L44 L47 L54 L59 V86 L90 L93 F95 L96 D97	L30-L57 HydrophobicContact CB-CD1 4.29Å; L30-L57 HydrophobicContact CD2-CD1 4.15Å; L30-L57 HydrophobicContact CG-CD1 4.21Å; L30-L57 WeakPolarHBondContact O-CA 3.35Å; L44-L57 HydrophobicContact CD2-CD2 4.2Å; L47-L57 HydrophobicContact CD1-CD1 4.11Å; L47-L57 HydrophobicContact CD1-CD2 4.23Å; L54-L57 HydrophobicContact CD2-CB 4.36Å; L57-L59 HydrophobicContact CD1-CD2 3.91Å; L57-L59 HydrophobicContact CD1-CG 4.18Å; L57-L59 HydrophobicContact CD2-CD1 4.17Å; L57-L59 HydrophobicContact CD2-CG 4.29Å; L57-L59 HydrophobicContact CG-CD2 4.38Å; L57-L59 HydrophobicContact CG-CG 4.09Å; L57-V86 HydrophobicContact CD2-CG1 4.35Å; L57-L90 HydrophobicContact CD2-CD1 4.03Å; L57-L93 HydrophobicContact CB-CD1 4.22Å; L57-L93 HydrophobicContact CB-CD2 3.95Å; L57-L93 HydrophobicContact CD2-CD1 4.37Å; L57-F95 PolarHBondContact N-O 3.42Å; L57-L96 HydrophobicContact CB-CD1 4.29Å; L57-L96 HydrophobicContact CD2-CD1 4.31Å; L57-L96 HydrophobicContact CG-CD1 4.3Å; L57-L96 CarbonylContact O-C 3.27Å; L57-L96 WeakPolarHBondContact O-CA 3.39Å; L57-D97 PolarHBondContact O-N 2.84Å
58	S	96.8	Very high	89.5	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123	172.4	-159.1	0	0	0	0	110.9	L30 L32 N33	L30-S58 PolarHBondContact O-N 3.41Å; L32-S58 PolarHBondContact N-O 3.21Å; N33-S58 VanDerWaalsContact OD1-C 3.29Å; N33-S58 WeakPolarHBondContact OD1-CB 3.48Å; N33-S58 PolarHBondContact OD1-O 3.3Å; N33-S58 PolarHBondContact OD1-OG 2.91Å
59	L	95.4	Very high	87.4	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.235	C	C	.	.			trans	-122	15.7	-177.6	-59.6	-178.4	0	0	0	111.8	L32 L37 I40 L43 L57 G61 N62 C65 D97	L32-L59 HydrophobicContact CB-CD2 3.87Å; L32-L59 HydrophobicContact CD1-CD2 3.95Å; L32-L59 HydrophobicContact CG-CD2 4.41Å; L37-L59 HydrophobicContact CD1-CD2 4.45Å; I40-L59 HydrophobicContact CD1-CD1 3.47Å; I40-L59 VanDerWaalsContact CD1-CD1 3.47Å; L43-L59 HydrophobicContact CD2-CD1 3.98Å; L43-L59 HydrophobicContact CD2-CD2 3.93Å; L57-L59 HydrophobicContact CD1-CD2 3.91Å; L57-L59 HydrophobicContact CD1-CG 4.18Å; L57-L59 HydrophobicContact CD2-CD1 4.17Å; L57-L59 HydrophobicContact CD2-CG 4.29Å; L57-L59 HydrophobicContact CG-CD2 4.38Å; L57-L59 HydrophobicContact CG-CG 4.09Å; L59-G61 PolarHBondContact O-N 2.87Å; L59-N62 WeakPolarHBondContact O-CB 3.44Å; L59-N62 PolarHBondContact O-N 3.36Å; L59-N62 PolarHBondContact O-ND2 2.8Å; L59-C65 HydrophobicContact CB-CB 4.2Å; L59-C65 WeakPolarHBondContact O-CB 3.2Å; L59-D97 PolarHBondContact N-OD1 2.8Å
60	L	92.9	Very high	85.5	Confident	50 Å²	50	40.4 Å²	40.4	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	138.2	-175.7	-66.4	175	0	0	0	111.8	N33 K34 N62 D97	N33-L60 CarbonylContact C-O 3.56Å; N33-L60 WeakPolarHBondContact CA-O 3.38Å; N33-L60 WeakPolarHBondContact CB-O 3.46Å; N33-L60 PolarHBondContact OD1-N 2.84Å; K34-L60 PolarHBondContact N-O 3.47Å; L60-N62 VanDerWaalsContact C-N 3.32Å; L60-D97 HydrophobicContact CD1-CB 4.27Å; L60-D97 HydrophobicContact CD2-CB 3.79Å; L60-D97 HydrophobicContact CG-CB 3.86Å
61	G	88.9	Confident	83.8	Confident	28 Å²	28	41.6 Å²	41.6	29%	0.289	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.4	178.5	0	0	0	0	0	115.1	L59	L59-G61 PolarHBondContact O-N 2.87Å
62	N	90.6	Very high	82	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-92.8	155.5	167.5	-69	-84.8	0	0	0	111	L32 N35 L37 L59 L60 A64 C65	L32-N62 PolarHBondContact O-ND2 3.28Å; N35-N62 WeakPolarHBondContact CA-OD1 3.32Å; N35-N62 WeakPolarHBondContact CB-OD1 3.34Å; N35-N62 PolarHBondContact N-OD1 3.41Å; N35-N62 VanDerWaalsContact N-OD1 3.13Å; N35-N62 PolarHBondContact O-OD1 2.99Å; N35-N62 VanDerWaalsContact O-OD1 3.05Å; L37-N62 HydrophobicContact CB-CB 4.15Å; L37-N62 WeakPolarHBondContact CB-OD1 3.16Å; L37-N62 PolarHBondContact N-OD1 2.77Å; L59-N62 WeakPolarHBondContact O-CB 3.44Å; L59-N62 PolarHBondContact O-N 3.36Å; L59-N62 PolarHBondContact O-ND2 2.8Å; L60-N62 VanDerWaalsContact C-N 3.32Å; N62-A64 VanDerWaalsContact C-N 3.26Å; N62-A64 HydrophobicContact CB-CB 4.44Å; N62-A64 PolarHBondContact O-N 3.12Å; N62-C65 PolarHBondContact O-N 3.4Å; N62-C65 VanDerWaalsContact O-N 3.07Å; N62-C65 VanDerWaalsContact O-O 3.11Å
63	E	86.8	Confident	80.6	Confident	115 Å²	115	54.2 Å²	54.2	54%	0.537	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.6	174.4	-169.9	177.6	164.8	0	0	112.1	L37 T38 C65 K74	L37-E63 PolarHBondContact O-N 2.9Å; T38-E63 HydrophobicContact CG2-CB 4.07Å; T38-E63 HydrophobicContact CG2-CG 4.48Å; T38-E63 WeakPolarHBondContact CG2-OE2 3.16Å; E63-C65 PolarHBondContact O-N 3.22Å; E63-K74 PolarHBondContact O-NZ 3.11Å
64	A	85.1	Confident	79.3	Confident	8 Å²	8	52.7 Å²	52.7	7%	0.066	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.6	172.4	0	0	0	0	0	113.7	L37 I40 N62 P66	L37-A64 HydrophobicContact CB-CB 4.23Å; L37-A64 WeakPolarHBondContact O-CB 3.39Å; L37-A64 PolarHBondContact O-N 2.81Å; I40-A64 HydrophobicContact CB-CB 4.04Å; I40-A64 HydrophobicContact CD1-CB 4.41Å; N62-A64 VanDerWaalsContact C-N 3.26Å; N62-A64 HydrophobicContact CB-CB 4.44Å; N62-A64 PolarHBondContact O-N 3.12Å; A64-P66 VanDerWaalsContact O-CD 3.24Å; A64-P66 WeakPolarHBondContact O-CD 3.47Å
65	C	82.6	Confident	78.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	S	Bend	trans	-103.7	96.4	176.6	177.6	0	0	0	0	109.4	L59 N62 E63 N67 Y82	L59-C65 HydrophobicContact CB-CB 4.2Å; L59-C65 WeakPolarHBondContact O-CB 3.2Å; N62-C65 PolarHBondContact O-N 3.4Å; N62-C65 VanDerWaalsContact O-N 3.07Å; N62-C65 VanDerWaalsContact O-O 3.11Å; E63-C65 PolarHBondContact O-N 3.22Å; C65-N67 PolarHBondContact O-N 3.24Å; C65-Y82 HydrophobicContact CB-CE2 4.44Å
66	P	68.9	Low	77.3	Confident	19 Å²	19	57.7 Å²	57.7	12%	0.123	31%	0.307	C	S	.	.			trans	-70.1	97.6	177.8	30.2	-33.7	0	0	0	110.6	A64 K74 D78 Y79 Y82	A64-P66 VanDerWaalsContact O-CD 3.24Å; A64-P66 WeakPolarHBondContact O-CD 3.47Å; P66-K74 HydrophobicContact CB-CD 3.39Å; P66-K74 HydrophobicContact CB-CG 4.31Å; P66-D78 HydrophobicContact CB-CB 4.43Å; P66-Y79 WeakPolarHBondContact O-CB 3.39Å; P66-Y79 WeakPolarHBondContact O-CD2 3.38Å; P66-Y82 VanDerWaalsContact CG-CB 3.42Å; P66-Y82 HydrophobicContact CG-CD2 4.33Å; P66-Y82 HydrophobicContact CG-CG 3.89Å
67	N	62.8	Low	76.7	Confident	20 Å²	20	58.8 Å²	58.8	11%	0.107	32%	0.318	C	S	.	.			trans	-120	156.1	164.2	84.7	13.8	0	0	0	110.4	C65 L69 V70 S71 Y79	C65-N67 PolarHBondContact O-N 3.24Å; N67-L69 PolarHBondContact O-N 3.48Å; N67-L69 VanDerWaalsContact OD1-CA 3.31Å; N67-L69 WeakPolarHBondContact OD1-CA 3.47Å; N67-L69 VanDerWaalsContact OD1-CB 3.27Å; N67-L69 WeakPolarHBondContact OD1-CB 3.32Å; N67-L69 PolarHBondContact OD1-N 2.97Å; N67-V70 PolarHBondContact O-N 3.5Å; N67-V70 VanDerWaalsContact O-N 3.09Å; N67-V70 WeakPolarHBondContact OD1-CB 3.28Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.24Å; N67-V70 PolarHBondContact OD1-N 2.92Å; N67-S71 PolarHBondContact O-N 3.06Å; N67-Y79 HydrophobicContact CB-CD2 4.38Å
68	Q	54.8	Low	76.1	Confident	96 Å²	96	60.3 Å²	60.3	45%	0.449	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.4	179.9	-44.8	-169.9	-15.8	0	0	112.8	V70 K74 D76	Q68-V70 VanDerWaalsContact C-N 3.31Å; Q68-K74 VanDerWaalsContact CG-O 3.28Å; Q68-K74 WeakPolarHBondContact CG-O 3.46Å; Q68-D76 VanDerWaalsContact NE2-CG 3.28Å; Q68-D76 PolarHBondContact NE2-OD1 3.33Å
69	L	54.2	Low	75.8	Confident	165 Å²	165	61 Å²	61	86%	0.864	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.3	177.2	-59.1	170.1	0	0	0	112.6	N67	N67-L69 PolarHBondContact O-N 3.48Å; N67-L69 VanDerWaalsContact OD1-CA 3.31Å; N67-L69 WeakPolarHBondContact OD1-CA 3.47Å; N67-L69 VanDerWaalsContact OD1-CB 3.27Å; N67-L69 WeakPolarHBondContact OD1-CB 3.32Å; N67-L69 PolarHBondContact OD1-N 2.97Å
70	V	56.3	Low	75.6	Confident	59 Å²	59	63.6 Å²	63.6	36%	0.358	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-27.5	-175.9	174.7	0	0	0	0	111.1	N67 Q68	N67-V70 PolarHBondContact O-N 3.5Å; N67-V70 VanDerWaalsContact O-N 3.09Å; N67-V70 WeakPolarHBondContact OD1-CB 3.28Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.24Å; N67-V70 PolarHBondContact OD1-N 2.92Å; Q68-V70 VanDerWaalsContact C-N 3.31Å
71	S	60.3	Low	75.5	Confident	34 Å²	34	65.8 Å²	65.8	24%	0.238	35%	0.345	C	S	.	.			trans	-146.2	126.2	173.3	-42.9	0	0	0	0	110.7	N67 D73 K74	N67-S71 PolarHBondContact O-N 3.06Å; S71-D73 PolarHBondContact O-N 2.83Å; S71-K74 PolarHBondContact O-N 3.1Å
72	L	59.9	Low	75.8	Confident	173 Å²	173	64.9 Å²	64.9	91%	0.906	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.6	178.5	-72.6	162	0	0	0	113.1	K74	L72-K74 VanDerWaalsContact C-N 3.33Å
73	D	66.4	Low	76	Confident	155 Å²	155	65 Å²	65	83%	0.829	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.6	-179.3	-48.2	-52.4	0	0	0	113.5	S71	S71-D73 PolarHBondContact O-N 2.83Å
74	K	68.9	Low	76.4	Confident	28 Å²	28	61.4 Å²	61.4	12%	0.122	32%	0.315	C	S	.	.			trans	-104.3	135.2	-177	-67.7	174.2	170.2	174.9	0	109.6	E63 P66 Q68 S71 L72 D78	E63-K74 PolarHBondContact O-NZ 3.11Å; P66-K74 HydrophobicContact CB-CD 3.39Å; P66-K74 HydrophobicContact CB-CG 4.31Å; Q68-K74 VanDerWaalsContact CG-O 3.28Å; Q68-K74 WeakPolarHBondContact CG-O 3.46Å; S71-K74 PolarHBondContact O-N 3.1Å; L72-K74 VanDerWaalsContact C-N 3.33Å; K74-D78 WeakPolarHBondContact CA-OD2 3.49Å; K74-D78 HydrophobicContact CB-CB 4.43Å
75	D	74.8	Confident	76.9	Confident	75 Å²	75	61.4 Å²	61.4	40%	0.401	31%	0.314	S	S	.	.			trans	-107.5	-174.2	179.6	66.1	15.5	0	0	0	112.6	D77 D78 Y79	D75-D77 VanDerWaalsContact C-N 3.27Å; D75-D77 PolarHBondContact O-N 2.99Å; D75-D77 WeakPolarHBondContact OD1-CA 3.15Å; D75-D77 WeakPolarHBondContact OD1-CB 3.28Å; D75-D77 PolarHBondContact OD1-N 3.16Å; D75-D78 PolarHBondContact N-OD2 3Å; D75-D78 PolarHBondContact O-N 3.48Å; D75-D78 PolarHBondContact OD1-N 3.39Å; D75-Y79 PolarHBondContact O-N 3.26Å
76	D	80.4	Confident	77.6	Confident	106 Å²	106	61.4 Å²	61.4	57%	0.567	31%	0.314	S	S	*	.	H	α-helix	trans	-68.3	-28	178.6	-80.2	-20	0	0	0	112.2	Q68 Y79 Q80	Q68-D76 VanDerWaalsContact NE2-CG 3.28Å; Q68-D76 PolarHBondContact NE2-OD1 3.33Å; D76-Y79 PolarHBondContact O-N 3.01Å; D76-Q80 WeakPolarHBondContact O-CB 3.32Å; D76-Q80 PolarHBondContact O-N 2.76Å
77	D	85.3	Confident	79	Confident	97 Å²	97	60.5 Å²	60.5	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-69.9	-39.3	178.2	-77.9	-11.9	0	0	0	110.7	D75 Q80 R81	D75-D77 VanDerWaalsContact C-N 3.27Å; D75-D77 PolarHBondContact O-N 2.99Å; D75-D77 WeakPolarHBondContact OD1-CA 3.15Å; D75-D77 WeakPolarHBondContact OD1-CB 3.28Å; D75-D77 PolarHBondContact OD1-N 3.16Å; D77-Q80 WeakPolarHBondContact O-CB 3.43Å; D77-Q80 PolarHBondContact O-N 2.82Å; D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 3.4Å
78	D	86.4	Confident	80.6	Confident	32 Å²	32	64.3 Å²	64.3	17%	0.171	32%	0.321	C	S	.	.	H	α-helix	trans	-59.9	-45.3	173.6	-75.8	-36.4	0	0	0	112.3	P66 K74 D75 Q80 R81 Y82	P66-D78 HydrophobicContact CB-CB 4.43Å; K74-D78 WeakPolarHBondContact CA-OD2 3.49Å; K74-D78 HydrophobicContact CB-CB 4.43Å; D75-D78 PolarHBondContact N-OD2 3Å; D75-D78 PolarHBondContact O-N 3.48Å; D75-D78 PolarHBondContact OD1-N 3.39Å; D78-Q80 VanDerWaalsContact C-N 3.28Å; D78-Q80 PolarHBondContact O-N 2.91Å; D78-R81 PolarHBondContact O-N 3.49Å; D78-R81 IonicContact OD1-NH1 3Å; D78-R81 PolarHBondContact OD1-NH1 3.39Å; D78-Y82 PolarHBondContact O-N 3.07Å
79	Y	89.8	Confident	82.6	Confident	20 Å²	20	62.3 Å²	62.3	8%	0.078	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-39	174.9	-178.3	-102.2	0	0	0	111.1	P66 N67 D75 D76 Y82 R83 D97	P66-Y79 WeakPolarHBondContact O-CB 3.39Å; P66-Y79 WeakPolarHBondContact O-CD2 3.38Å; N67-Y79 HydrophobicContact CB-CD2 4.38Å; D75-Y79 PolarHBondContact O-N 3.26Å; D76-Y79 PolarHBondContact O-N 3.01Å; Y79-Y82 AromaticContact CD2-CD1 3.89Å; Y79-Y82 HydrophobicContact CD2-CD1 3.89Å; Y79-Y82 HydrophobicContact CD2-CE1 4.29Å; Y79-Y82 AromaticContact CE2-CD1 3.9Å; Y79-Y82 HydrophobicContact CE2-CD1 3.9Å; Y79-Y82 AromaticContact CE2-CE1 3.85Å; Y79-Y82 HydrophobicContact CE2-CE1 3.85Å; Y79-Y82 PolarHBondContact O-N 3.28Å; Y79-R83 VanDerWaalsContact O-CB 3.28Å; Y79-R83 WeakPolarHBondContact O-CB 3.49Å; Y79-R83 PolarHBondContact O-N 3.07Å; Y79-D97 PolarHBondContact OH-OD2 3.01Å
80	Q	91.6	Very high	84.7	Confident	54 Å²	54	54.4 Å²	54.4	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-64.7	-40.3	178.1	-169.4	60.4	71	0	0	112.4	D76 D77 D78 R83 Y84	D76-Q80 WeakPolarHBondContact O-CB 3.32Å; D76-Q80 PolarHBondContact O-N 2.76Å; D77-Q80 WeakPolarHBondContact O-CB 3.43Å; D77-Q80 PolarHBondContact O-N 2.82Å; D78-Q80 VanDerWaalsContact C-N 3.28Å; D78-Q80 PolarHBondContact O-N 2.91Å; Q80-R83 PolarHBondContact O-N 3.21Å; Q80-Y84 HydrophobicContact CG-CD2 4.22Å; Q80-Y84 HydrophobicContact CG-CE2 3.65Å; Q80-Y84 PolarHBondContact NE2-OH 2.98Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.36Å; Q80-Y84 PolarHBondContact O-N 2.96Å
81	R	91.8	Very high	86.7	Confident	96 Å²	96	54.6 Å²	54.6	36%	0.362	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-49.8	173.8	-67.6	176.6	-165.4	120.6	8.5	111	D77 D78 R83 Y84 F85 M116	D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 3.4Å; D78-R81 PolarHBondContact O-N 3.49Å; D78-R81 IonicContact OD1-NH1 3Å; D78-R81 PolarHBondContact OD1-NH1 3.39Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.33Å; R81-Y84 PolarHBondContact O-N 3.31Å; R81-F85 PolarHBondContact O-N 3.36Å; R81-M116 HydrophobicContact CB-CB 4.33Å; R81-M116 HydrophobicContact CB-SD 4.15Å; R81-M116 HydrophobicContact CG-SD 3.81Å; R81-M116 WeakPolarHBondContact O-CB 3.47Å
82	Y	93.2	Very high	88.4	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.039	28%	0.277	C	S	.	.	H	α-helix	trans	-53.8	-48.4	174.4	154.8	-97	0	0	0	111.3	I40 C65 P66 D78 Y79 Y84 F85 V86 D97	I40-Y82 HydrophobicContact CD1-CE2 3.9Å; I40-Y82 HydrophobicContact CG1-CD2 4.35Å; I40-Y82 HydrophobicContact CG1-CE2 4.08Å; C65-Y82 HydrophobicContact CB-CE2 4.44Å; P66-Y82 VanDerWaalsContact CG-CB 3.42Å; P66-Y82 HydrophobicContact CG-CD2 4.33Å; P66-Y82 HydrophobicContact CG-CG 3.89Å; D78-Y82 PolarHBondContact O-N 3.07Å; Y79-Y82 AromaticContact CD2-CD1 3.89Å; Y79-Y82 HydrophobicContact CD2-CD1 3.89Å; Y79-Y82 HydrophobicContact CD2-CE1 4.29Å; Y79-Y82 AromaticContact CE2-CD1 3.9Å; Y79-Y82 HydrophobicContact CE2-CD1 3.9Å; Y79-Y82 AromaticContact CE2-CE1 3.85Å; Y79-Y82 HydrophobicContact CE2-CE1 3.85Å; Y79-Y82 PolarHBondContact O-N 3.28Å; Y82-Y84 VanDerWaalsContact C-N 3.35Å; Y82-Y84 PolarHBondContact O-N 3.47Å; Y82-F85 WeakPolarHBondContact O-CB 3.35Å; Y82-F85 PolarHBondContact O-N 2.95Å; Y82-F85 VanDerWaalsContact O-N 3.09Å; Y82-V86 HydrophobicContact CD2-CG2 3.85Å; Y82-V86 HydrophobicContact CE1-CG2 4.31Å; Y82-V86 HydrophobicContact CE2-CG2 3.44Å; Y82-V86 VanDerWaalsContact CE2-CG2 3.44Å; Y82-V86 HydrophobicContact CG-CG2 4.44Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 2.91Å; Y82-D97 WeakPolarHBondContact CE1-OD2 3.31Å; Y82-D97 PolarHBondContact OH-OD2 2.74Å
83	R	95.1	Very high	90.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-45.5	-179.2	-175.4	169.3	-178.9	81.1	0.1	111.5	Y79 Q80 R81 V86 L87 L96 R99 K100 E105	Y79-R83 VanDerWaalsContact O-CB 3.28Å; Y79-R83 WeakPolarHBondContact O-CB 3.49Å; Y79-R83 PolarHBondContact O-N 3.07Å; Q80-R83 PolarHBondContact O-N 3.21Å; R81-R83 VanDerWaalsContact C-N 3.3Å; R81-R83 PolarHBondContact O-N 3.33Å; R83-V86 PolarHBondContact O-N 3.19Å; R83-L87 HydrophobicContact CG-CD1 4.21Å; R83-L87 WeakPolarHBondContact O-CB 3.42Å; R83-L87 VanDerWaalsContact O-CG 3.24Å; R83-L87 WeakPolarHBondContact O-CG 3.42Å; R83-L87 PolarHBondContact O-N 2.83Å; R83-L96 HydrophobicContact CG-CD2 4.03Å; R83-L96 PolarHBondContact NH1-O 3.25Å; R83-R99 PolarHBondContact NH2-O 2.79Å; R83-R99 VanDerWaalsContact NH2-O 3.11Å; R83-K100 PolarHBondContact NH2-O 3.08Å; R83-K100 VanDerWaalsContact NH2-O 3.08Å; R83-E105 IonicContact CZ-OE1 3.13Å; R83-E105 IonicContact NE-OE1 2.63Å; R83-E105 PolarHBondContact NE-OE1 3.26Å; R83-E105 IonicContact NE-OE2 2.69Å; R83-E105 IonicContact NH2-OE1 2.76Å; R83-E105 IonicContact NH2-OE2 2.67Å
84	Y	96.4	Very high	91.7	Very high	41 Å²	41	46 Å²	46	16%	0.161	22%	0.217	C	C	.	.	H	α-helix	trans	-66	-36.1	175.5	-66.6	-30.2	0	0	0	113.1	Q80 R81 Y82 Y88 E105 E108 A109	Q80-Y84 HydrophobicContact CG-CD2 4.22Å; Q80-Y84 HydrophobicContact CG-CE2 3.65Å; Q80-Y84 PolarHBondContact NE2-OH 2.98Å; Q80-Y84 WeakPolarHBondContact O-CD2 3.36Å; Q80-Y84 PolarHBondContact O-N 2.96Å; R81-Y84 PolarHBondContact O-N 3.31Å; Y82-Y84 VanDerWaalsContact C-N 3.35Å; Y82-Y84 PolarHBondContact O-N 3.47Å; Y84-Y88 VanDerWaalsContact O-CB 3.32Å; Y84-Y88 WeakPolarHBondContact O-CB 3.16Å; Y84-Y88 PolarHBondContact O-N 3.38Å; Y84-E105 HydrophobicContact CD1-CB 4.45Å; Y84-E105 HydrophobicContact CE1-CB 3.92Å; Y84-E105 HydrophobicContact CE1-CG 4.02Å; Y84-E108 HydrophobicContact CD1-CB 4.33Å; Y84-E108 HydrophobicContact CE1-CB 3.88Å; Y84-E108 HydrophobicContact CE2-CB 4.29Å; Y84-A109 HydrophobicContact CD1-CB 4.38Å; Y84-A109 VanDerWaalsContact O-CB 3.28Å; Y84-A109 WeakPolarHBondContact O-CB 3.41Å
85	F	96	Very high	93.1	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-64.2	-46.2	175.8	-178.8	-107.5	0	0	0	111.9	I40 E41 L44 R81 Y82 L87 Y88 K89 G113 M116 K117	I40-F85 HydrophobicContact CG2-CD1 4.36Å; I40-F85 HydrophobicContact CG2-CE1 4.03Å; E41-F85 HydrophobicContact CB-CE1 4.29Å; E41-F85 HydrophobicContact CB-CZ 4.09Å; E41-F85 HydrophobicContact CG-CZ 4.16Å; L44-F85 HydrophobicContact CD1-CD1 4.02Å; L44-F85 HydrophobicContact CD1-CE1 3.88Å; R81-F85 PolarHBondContact O-N 3.36Å; Y82-F85 WeakPolarHBondContact O-CB 3.35Å; Y82-F85 PolarHBondContact O-N 2.95Å; Y82-F85 VanDerWaalsContact O-N 3.09Å; F85-L87 PolarHBondContact O-N 3.18Å; F85-Y88 WeakPolarHBondContact O-CB 3.24Å; F85-Y88 PolarHBondContact O-N 3.38Å; F85-K89 HydrophobicContact CE2-CG 4.48Å; F85-K89 HydrophobicContact CZ-CG 4.27Å; F85-K89 PolarHBondContact O-N 2.9Å; F85-K89 VanDerWaalsContact O-N 3.14Å; F85-G113 WeakPolarHBondContact CD2-O 3.38Å; F85-M116 HydrophobicContact CB-CB 4.11Å; F85-K117 HydrophobicContact CD2-CB 4.18Å; F85-K117 HydrophobicContact CE2-CB 3.89Å; F85-K117 HydrophobicContact CZ-CB 4.37Å
86	V	96.8	Very high	94.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-47.7	176.7	176.1	0	0	0	0	110.9	I40 L44 L57 Y82 R83 Y88 K89 L90 L93 L96	I40-V86 HydrophobicContact CD1-CG2 4.41Å; I40-V86 HydrophobicContact CG1-CG2 4.48Å; L44-V86 HydrophobicContact CD1-CB 4.33Å; L44-V86 HydrophobicContact CD1-CG2 4Å; L44-V86 HydrophobicContact CD2-CG1 3.88Å; L44-V86 HydrophobicContact CD2-CG2 4.39Å; L57-V86 HydrophobicContact CD2-CG1 4.35Å; Y82-V86 HydrophobicContact CD2-CG2 3.85Å; Y82-V86 HydrophobicContact CE1-CG2 4.31Å; Y82-V86 HydrophobicContact CE2-CG2 3.44Å; Y82-V86 VanDerWaalsContact CE2-CG2 3.44Å; Y82-V86 HydrophobicContact CG-CG2 4.44Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 2.91Å; R83-V86 PolarHBondContact O-N 3.19Å; V86-Y88 PolarHBondContact O-N 3.38Å; V86-K89 PolarHBondContact O-N 3.09Å; V86-L90 PolarHBondContact O-N 3.03Å; V86-L93 HydrophobicContact CG1-CD1 3.93Å; V86-L96 HydrophobicContact CB-CD2 3.69Å; V86-L96 HydrophobicContact CG1-CD1 3.88Å; V86-L96 HydrophobicContact CG1-CD2 3.59Å; V86-L96 HydrophobicContact CG1-CG 4.38Å; V86-L96 HydrophobicContact CG2-CD2 4.26Å
87	L	97.5	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.4	-24.6	179.7	-66.2	178	0	0	0	113.4	R83 F85 L90 P91 L93 L96 V101 E105 A109	R83-L87 HydrophobicContact CG-CD1 4.21Å; R83-L87 WeakPolarHBondContact O-CB 3.42Å; R83-L87 VanDerWaalsContact O-CG 3.24Å; R83-L87 WeakPolarHBondContact O-CG 3.42Å; R83-L87 PolarHBondContact O-N 2.83Å; F85-L87 PolarHBondContact O-N 3.18Å; L87-L90 CarbonylContact O-C 3.46Å; L87-P91 VanDerWaalsContact O-CA 3.23Å; L87-P91 WeakPolarHBondContact O-CA 3.35Å; L87-L93 HydrophobicContact CD2-CB 4.09Å; L87-L93 HydrophobicContact CD2-CD1 4.41Å; L87-L96 HydrophobicContact CD2-CD2 4.41Å; L87-L96 HydrophobicContact CG-CD2 4.41Å; L87-V101 HydrophobicContact CD1-CG1 3.79Å; L87-V101 HydrophobicContact CD1-CG2 4.4Å; L87-V101 HydrophobicContact CD2-CB 4.38Å; L87-V101 HydrophobicContact CD2-CG1 3.83Å; L87-V101 HydrophobicContact CD2-CG2 3.59Å; L87-V101 HydrophobicContact CG-CG1 4.45Å; L87-E105 HydrophobicContact CD1-CB 3.97Å; L87-A109 HydrophobicContact CB-CB 3.74Å
88	Y	97.4	Very high	95	Very high	101 Å²	101	39.7 Å²	39.7	40%	0.396	19%	0.188	S	C	.	.	H	α-helix	trans	-70.9	-42.7	172.3	170	-101.7	0	0	0	111.7	Y84 F85 V86 A109 A114	Y84-Y88 VanDerWaalsContact O-CB 3.32Å; Y84-Y88 WeakPolarHBondContact O-CB 3.16Å; Y84-Y88 PolarHBondContact O-N 3.38Å; F85-Y88 WeakPolarHBondContact O-CB 3.24Å; F85-Y88 PolarHBondContact O-N 3.38Å; V86-Y88 PolarHBondContact O-N 3.38Å; Y88-A109 WeakPolarHBondContact CD2-O 3.49Å; Y88-A114 HydrophobicContact CE1-CB 3.9Å; Y88-A114 HydrophobicContact CE2-CB 4.22Å
89	K	97.2	Very high	95.4	Very high	53 Å²	53	44.8 Å²	44.8	23%	0.23	21%	0.205	C	C	.	.	H	α-helix	trans	-75.3	-33.8	177.5	-67.2	-80.4	-169.9	165.3	0	112.5	E41 L44 E45 F85 V86 P91	E41-K89 IonicContact OE1-NZ 2.78Å; E41-K89 PolarHBondContact OE1-NZ 3.39Å; L44-K89 HydrophobicContact CB-CB 4.04Å; L44-K89 HydrophobicContact CB-CG 4.36Å; L44-K89 HydrophobicContact CD1-CB 4.06Å; L44-K89 HydrophobicContact CD1-CG 4.12Å; E45-K89 IonicContact OE1-NZ 2.73Å; E45-K89 PolarHBondContact OE1-NZ 2.68Å; F85-K89 HydrophobicContact CE2-CG 4.48Å; F85-K89 HydrophobicContact CZ-CG 4.27Å; F85-K89 PolarHBondContact O-N 2.9Å; F85-K89 VanDerWaalsContact O-N 3.14Å; V86-K89 PolarHBondContact O-N 3.09Å; K89-P91 WeakPolarHBondContact O-CD 3.22Å
90	L	97.6	Very high	95.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.23	C	C	.	.			trans	-125.5	72.3	-178.7	-60.9	177.3	0	0	0	111.3	L44 A48 L54 L57 V86 L87 Q92 L93	L44-L90 HydrophobicContact CD2-CD1 3.54Å; L44-L90 HydrophobicContact CD2-CG 4.16Å; A48-L90 HydrophobicContact CB-CD2 3.75Å; L54-L90 HydrophobicContact CD2-CD1 4.37Å; L57-L90 HydrophobicContact CD2-CD1 4.03Å; V86-L90 PolarHBondContact O-N 3.03Å; L87-L90 CarbonylContact O-C 3.46Å; L90-Q92 PolarHBondContact O-N 3.11Å; L90-L93 HydrophobicContact CB-CD1 3.77Å; L90-L93 HydrophobicContact CB-CG 3.94Å; L90-L93 HydrophobicContact CD1-CD1 4.1Å; L90-L93 PolarHBondContact O-N 3.15Å
91	P	96.9	Very high	96.1	Very high	62 Å²	62	48.9 Å²	48.9	40%	0.403	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.2	-173.4	28.6	-36.8	0	0	0	114.9	L87 K89 L93 L106	L87-P91 VanDerWaalsContact O-CA 3.23Å; L87-P91 WeakPolarHBondContact O-CA 3.35Å; K89-P91 WeakPolarHBondContact O-CD 3.22Å; P91-L93 VanDerWaalsContact C-N 3.34Å; P91-L106 HydrophobicContact CB-CD1 4.02Å; P91-L106 WeakPolarHBondContact O-CD1 3.13Å
92	Q	96.8	Very high	96.4	Very high	74 Å²	74	47.6 Å²	47.6	35%	0.346	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.1	179.9	71.7	-85.9	33.8	0	0	113.9	L54 L90 K94	L54-Q92 WeakPolarHBondContact O-CG 3.17Å; L90-Q92 PolarHBondContact O-N 3.11Å; Q92-K94 PolarHBondContact O-N 2.99Å
93	L	98.2	Very high	96.6	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	26%	0.261	C	S	.	.			trans	-60.9	131.8	-176.8	-73.1	175.7	0	0	0	111.8	L54 L57 V86 L87 L90 P91 V101	L54-L93 HydrophobicContact CD2-CD2 4.3Å; L54-L93 HydrophobicContact CG-CD2 4.07Å; L57-L93 HydrophobicContact CB-CD1 4.22Å; L57-L93 HydrophobicContact CB-CD2 3.95Å; L57-L93 HydrophobicContact CD2-CD1 4.37Å; V86-L93 HydrophobicContact CG1-CD1 3.93Å; L87-L93 HydrophobicContact CD2-CB 4.09Å; L87-L93 HydrophobicContact CD2-CD1 4.41Å; L90-L93 HydrophobicContact CB-CD1 3.77Å; L90-L93 HydrophobicContact CB-CG 3.94Å; L90-L93 HydrophobicContact CD1-CD1 4.1Å; L90-L93 PolarHBondContact O-N 3.15Å; P91-L93 VanDerWaalsContact C-N 3.34Å; L93-V101 HydrophobicContact CB-CG2 4.45Å
94	K	98.1	Very high	96.7	Very high	102 Å²	102	62.7 Å²	62.7	44%	0.443	29%	0.293	S	S	.	.	S	Bend	trans	-94.8	-28.3	172.3	-64.4	-178.2	-170.2	158.4	0	111.6	E55 Q92 K100 V101	E55-K94 HydrophobicContact CB-CD 4.39Å; E55-K94 HydrophobicContact CB-CG 4.38Å; E55-K94 VanDerWaalsContact CD-CE 3.45Å; E55-K94 PolarHBondContact O-N 2.91Å; E55-K94 VanDerWaalsContact OE1-CE 3.32Å; E55-K94 WeakPolarHBondContact OE1-CE 3.22Å; E55-K94 IonicContact OE1-NZ 3.6Å; E55-K94 PolarHBondContact OE1-NZ 2.93Å; E55-K94 WeakPolarHBondContact OE2-CD 3.23Å; E55-K94 VanDerWaalsContact OE2-CE 3.3Å; E55-K94 WeakPolarHBondContact OE2-CE 3.33Å; E55-K94 IonicContact OE2-NZ 3.59Å; E55-K94 PolarHBondContact OE2-NZ 3.43Å; Q92-K94 PolarHBondContact O-N 2.99Å; K94-K100 WeakPolarHBondContact O-CG 3.37Å; K94-V101 PolarHBondContact O-N 3.43Å
95	F	98.3	Very high	96.7	Very high	81 Å²	81	62 Å²	62	36%	0.355	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.4	178.2	-70.9	-93.9	0	0	0	109.6	E55 Y56 L57 K100	E55-F95 PolarHBondContact O-N 2.83Å; Y56-F95 HydrophobicContact CD2-CB 3.26Å; Y56-F95 HydrophobicContact CD2-CD2 4.29Å; Y56-F95 AromaticContact CD2-CG 3.85Å; Y56-F95 HydrophobicContact CD2-CG 3.85Å; Y56-F95 HydrophobicContact CE2-CB 3.66Å; Y56-F95 HydrophobicContact CE2-CD1 4.48Å; Y56-F95 HydrophobicContact CE2-CG 4.17Å; Y56-F95 HydrophobicContact CG-CB 4.14Å; L57-F95 PolarHBondContact N-O 3.42Å; F95-K100 VanDerWaalsContact CD1-CA 3.5Å; F95-K100 HydrophobicContact CD1-CB 3.83Å; F95-K100 HydrophobicContact CD1-CG 4.24Å; F95-K100 HydrophobicContact CE1-CB 3.52Å; F95-K100 HydrophobicContact CE1-CD 4.27Å; F95-K100 HydrophobicContact CE1-CG 3.83Å; F95-K100 HydrophobicContact CE2-CG 4.39Å; F95-K100 HydrophobicContact CZ-CB 4.12Å; F95-K100 HydrophobicContact CZ-CD 4.02Å; F95-K100 HydrophobicContact CZ-CG 3.9Å
96	L	97.5	Very high	96.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	124.5	172.5	171	62.5	0	0	0	107.8	L57 R83 V86 L87 S98 R99 V101	L57-L96 HydrophobicContact CB-CD1 4.29Å; L57-L96 HydrophobicContact CD2-CD1 4.31Å; L57-L96 HydrophobicContact CG-CD1 4.3Å; L57-L96 CarbonylContact O-C 3.27Å; L57-L96 WeakPolarHBondContact O-CA 3.39Å; R83-L96 HydrophobicContact CG-CD2 4.03Å; R83-L96 PolarHBondContact NH1-O 3.25Å; V86-L96 HydrophobicContact CB-CD2 3.69Å; V86-L96 HydrophobicContact CG1-CD1 3.88Å; V86-L96 HydrophobicContact CG1-CD2 3.59Å; V86-L96 HydrophobicContact CG1-CG 4.38Å; V86-L96 HydrophobicContact CG2-CD2 4.26Å; L87-L96 HydrophobicContact CD2-CD2 4.41Å; L87-L96 HydrophobicContact CG-CD2 4.41Å; L96-S98 PolarHBondContact O-N 2.73Å; L96-R99 PolarHBondContact N-O 3.03Å; L96-R99 VanDerWaalsContact N-O 3.12Å; L96-R99 PolarHBondContact O-N 2.83Å; L96-R99 VanDerWaalsContact O-N 3.15Å; L96-V101 HydrophobicContact CB-CG2 4.34Å
97	D	94.4	Very high	96.8	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-121	-173.3	-58.9	-51.9	0	0	0	110.9	Y56 L57 L59 L60 Y79 Y82	Y56-D97 PolarHBondContact OH-O 2.84Å; Y56-D97 VanDerWaalsContact OH-O 3.11Å; L57-D97 PolarHBondContact O-N 2.84Å; L59-D97 PolarHBondContact N-OD1 2.8Å; L60-D97 HydrophobicContact CD1-CB 4.27Å; L60-D97 HydrophobicContact CD2-CB 3.79Å; L60-D97 HydrophobicContact CG-CB 3.86Å; Y79-D97 PolarHBondContact OH-OD2 3.01Å; Y82-D97 WeakPolarHBondContact CE1-OD2 3.31Å; Y82-D97 PolarHBondContact OH-OD2 2.74Å
98	S	88.7	Confident	96.8	Very high	90 Å²	90	72.1 Å²	72.1	63%	0.629	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.7	-178.7	58.6	0	0	0	0	114.3	L96	L96-S98 PolarHBondContact O-N 2.73Å
99	R	94.4	Very high	96.8	Very high	140 Å²	140	67.3 Å²	67.3	53%	0.528	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.7	-168.4	-60.4	-175.2	-171.6	173.6	3.9	113.3	R83 L96	R83-R99 PolarHBondContact NH2-O 2.79Å; R83-R99 VanDerWaalsContact NH2-O 3.11Å; L96-R99 PolarHBondContact N-O 3.03Å; L96-R99 VanDerWaalsContact N-O 3.12Å; L96-R99 PolarHBondContact O-N 2.83Å; L96-R99 VanDerWaalsContact O-N 3.15Å
100	K	97.8	Very high	96.8	Very high	140 Å²	140	70.6 Å²	70.6	61%	0.609	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	138.9	169.8	-169.5	174.6	179.9	174.3	0	110.7	R83 K94 F95	R83-K100 PolarHBondContact NH2-O 3.08Å; R83-K100 VanDerWaalsContact NH2-O 3.08Å; K94-K100 WeakPolarHBondContact O-CG 3.37Å; F95-K100 VanDerWaalsContact CD1-CA 3.5Å; F95-K100 HydrophobicContact CD1-CB 3.83Å; F95-K100 HydrophobicContact CD1-CG 4.24Å; F95-K100 HydrophobicContact CE1-CB 3.52Å; F95-K100 HydrophobicContact CE1-CD 4.27Å; F95-K100 HydrophobicContact CE1-CG 3.83Å; F95-K100 HydrophobicContact CE2-CG 4.39Å; F95-K100 HydrophobicContact CZ-CB 4.12Å; F95-K100 HydrophobicContact CZ-CD 4.02Å; F95-K100 HydrophobicContact CZ-CG 3.9Å
101	V	97.9	Very high	96.7	Very high	19 Å²	19	74.1 Å²	74.1	12%	0.115	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-77.3	129.3	174.6	-179.7	0	0	0	0	109.4	L87 L93 K94 L96	L87-V101 HydrophobicContact CD1-CG1 3.79Å; L87-V101 HydrophobicContact CD1-CG2 4.4Å; L87-V101 HydrophobicContact CD2-CB 4.38Å; L87-V101 HydrophobicContact CD2-CG1 3.83Å; L87-V101 HydrophobicContact CD2-CG2 3.59Å; L87-V101 HydrophobicContact CG-CG1 4.45Å; L93-V101 HydrophobicContact CB-CG2 4.45Å; K94-V101 PolarHBondContact O-N 3.43Å; L96-V101 HydrophobicContact CB-CG2 4.34Å
102	T	97.9	Very high	96.6	Very high	70 Å²	70	77.4 Å²	77.4	43%	0.429	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-98.6	154.7	175.5	67.6	0	0	0	0	111.2	K104 E105 L106	T102-K104 PolarHBondContact O-N 2.93Å; T102-E105 WeakPolarHBondContact CB-OE2 3.43Å; T102-E105 PolarHBondContact N-OE2 3.39Å; T102-E105 PolarHBondContact O-N 3.24Å; T102-E105 VanDerWaalsContact OG1-CD 3.31Å; T102-E105 VanDerWaalsContact OG1-CG 3.22Å; T102-E105 WeakPolarHBondContact OG1-CG 3.27Å; T102-E105 PolarHBondContact OG1-N 2.84Å; T102-E105 PolarHBondContact OG1-OE2 3.14Å; T102-L106 PolarHBondContact O-N 3.34Å; T102-L106 VanDerWaalsContact O-N 3.14Å
103	K	97.1	Very high	96.4	Very high	175 Å²	175	73.9 Å²	73.9	76%	0.761	36%	0.356	S	S	*	.	H	α-helix	trans	-59.1	-34.4	176.3	-67.4	-175.3	178.6	-178.2	0	112.7	L106 M107	K103-L106 PolarHBondContact O-N 3.34Å; K103-M107 WeakPolarHBondContact O-CG 3.37Å; K103-M107 PolarHBondContact O-N 2.67Å
104	K	97.5	Very high	96.1	Very high	153 Å²	153	75.7 Å²	75.7	67%	0.665	37%	0.372	S	S	*	.	H	α-helix	trans	-62.9	-47.7	177.6	-176.9	-178.9	176.1	-174.7	0	110.8	T102 L106 M107 E108	T102-K104 PolarHBondContact O-N 2.93Å; K104-L106 VanDerWaalsContact C-N 3.29Å; K104-L106 PolarHBondContact O-N 3.2Å; K104-M107 PolarHBondContact O-N 2.76Å; K104-E108 WeakPolarHBondContact O-CG 3.46Å; K104-E108 PolarHBondContact O-N 3Å
105	E	97.1	Very high	95.7	Very high	26 Å²	26	79.2 Å²	79.2	12%	0.121	39%	0.387	C	S	.	.	H	α-helix	trans	-61.9	-40	178.1	-68.2	165.2	127.9	0	0	111.7	R83 Y84 L87 T102 E108 A109	R83-E105 IonicContact CZ-OE1 3.13Å; R83-E105 IonicContact NE-OE1 2.63Å; R83-E105 PolarHBondContact NE-OE1 3.26Å; R83-E105 IonicContact NE-OE2 2.69Å; R83-E105 IonicContact NH2-OE1 2.76Å; R83-E105 IonicContact NH2-OE2 2.67Å; Y84-E105 HydrophobicContact CD1-CB 4.45Å; Y84-E105 HydrophobicContact CE1-CB 3.92Å; Y84-E105 HydrophobicContact CE1-CG 4.02Å; L87-E105 HydrophobicContact CD1-CB 3.97Å; T102-E105 WeakPolarHBondContact CB-OE2 3.43Å; T102-E105 PolarHBondContact N-OE2 3.39Å; T102-E105 PolarHBondContact O-N 3.24Å; T102-E105 VanDerWaalsContact OG1-CD 3.31Å; T102-E105 VanDerWaalsContact OG1-CG 3.22Å; T102-E105 WeakPolarHBondContact OG1-CG 3.27Å; T102-E105 PolarHBondContact OG1-N 2.84Å; T102-E105 PolarHBondContact OG1-OE2 3.14Å; E105-E108 PolarHBondContact O-N 3.41Å; E105-A109 VanDerWaalsContact O-CB 3.28Å; E105-A109 WeakPolarHBondContact O-CB 3.45Å; E105-A109 PolarHBondContact O-N 2.94Å
106	L	97.3	Very high	95.1	Very high	45 Å²	45	77.3 Å²	77.3	24%	0.236	38%	0.38	C	S	.	.	H	α-helix	trans	-63.8	-42.6	177	-168.9	68.8	0	0	0	112	P91 T102 K103 K104 A109 Q110	P91-L106 HydrophobicContact CB-CD1 4.02Å; P91-L106 WeakPolarHBondContact O-CD1 3.13Å; T102-L106 PolarHBondContact O-N 3.34Å; T102-L106 VanDerWaalsContact O-N 3.14Å; K103-L106 PolarHBondContact O-N 3.34Å; K104-L106 VanDerWaalsContact C-N 3.29Å; K104-L106 PolarHBondContact O-N 3.2Å; L106-A109 PolarHBondContact O-N 3.26Å; L106-Q110 WeakPolarHBondContact O-CB 3.37Å; L106-Q110 WeakPolarHBondContact O-CG 3.28Å; L106-Q110 PolarHBondContact O-N 2.81Å
107	M	97.6	Very high	94.4	Very high	129 Å²	129	81.4 Å²	81.4	64%	0.635	40%	0.398	S	S	*	.	H	α-helix	trans	-62.1	-43	175.4	-72.7	176.7	179.5	0	0	111.7	K103 K104 Q110 A111	K103-M107 WeakPolarHBondContact O-CG 3.37Å; K103-M107 PolarHBondContact O-N 2.67Å; K104-M107 PolarHBondContact O-N 2.76Å; M107-Q110 PolarHBondContact O-N 3.09Å; M107-A111 WeakPolarHBondContact O-CB 3.28Å; M107-A111 PolarHBondContact O-N 3.12Å
108	E	97.4	Very high	93.2	Very high	47 Å²	47	85.5 Å²	85.5	22%	0.22	42%	0.423	C	S	.	.	H	α-helix	trans	-65.5	-42.5	177.2	-68.6	-66.5	171.2	0	0	111.9	Y84 K104 E105 Q110 A111 R112	Y84-E108 HydrophobicContact CD1-CB 4.33Å; Y84-E108 HydrophobicContact CE1-CB 3.88Å; Y84-E108 HydrophobicContact CE2-CB 4.29Å; K104-E108 WeakPolarHBondContact O-CG 3.46Å; K104-E108 PolarHBondContact O-N 3Å; E105-E108 PolarHBondContact O-N 3.41Å; E108-Q110 PolarHBondContact O-N 2.93Å; E108-A111 PolarHBondContact O-N 2.78Å; E108-R112 PolarHBondContact O-N 2.9Å; E108-R112 IonicContact OE1-NH2 2.89Å; E108-R112 PolarHBondContact OE1-NH2 3.46Å; E108-R112 IonicContact OE2-CZ 2.78Å; E108-R112 IonicContact OE2-NE 2.68Å; E108-R112 PolarHBondContact OE2-NE 2.78Å; E108-R112 IonicContact OE2-NH2 3.39Å; E108-R112 PolarHBondContact OE2-NH2 3.22Å
109	A	96.9	Very high	91.8	Very high	0 Å²	0	88.2 Å²	88.2	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-60.9	-42.4	174.6	0	0	0	0	0	111.8	Y84 L87 Y88 E105 L106 A111 G113	Y84-A109 HydrophobicContact CD1-CB 4.38Å; Y84-A109 VanDerWaalsContact O-CB 3.28Å; Y84-A109 WeakPolarHBondContact O-CB 3.41Å; L87-A109 HydrophobicContact CB-CB 3.74Å; Y88-A109 WeakPolarHBondContact CD2-O 3.49Å; E105-A109 VanDerWaalsContact O-CB 3.28Å; E105-A109 WeakPolarHBondContact O-CB 3.45Å; E105-A109 PolarHBondContact O-N 2.94Å; L106-A109 PolarHBondContact O-N 3.26Å; A109-A111 PolarHBondContact O-N 3.19Å; A109-G113 WeakPolarHBondContact O-CA 3.37Å; A109-G113 PolarHBondContact O-N 3.44Å
110	Q	96.8	Very high	90.1	Very high	122 Å²	122	88.6 Å²	88.6	57%	0.57	43%	0.433	S	S	*	.	H	α-helix	trans	-64.2	-40	175	-75.4	177.8	-14.8	0	0	112.5	L106 M107 E108	L106-Q110 WeakPolarHBondContact O-CB 3.37Å; L106-Q110 WeakPolarHBondContact O-CG 3.28Å; L106-Q110 PolarHBondContact O-N 2.81Å; M107-Q110 PolarHBondContact O-N 3.09Å; E108-Q110 PolarHBondContact O-N 2.93Å
111	A	96.5	Very high	87.8	Confident	74 Å²	74	87.5 Å²	87.5	61%	0.612	44%	0.44	S	S	*	.	H	α-helix	trans	-73.3	-35.6	-177.9	0	0	0	0	0	113.3	M107 E108 A109	M107-A111 WeakPolarHBondContact O-CB 3.28Å; M107-A111 PolarHBondContact O-N 3.12Å; E108-A111 PolarHBondContact O-N 2.78Å; A109-A111 PolarHBondContact O-N 3.19Å
112	R	94.6	Very high	85.4	Confident	130 Å²	130	95.9 Å²	95.9	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-134.1	-12.5	-166.6	-33.8	-175.6	-158.5	-126.6	2.2	115	E108 A114 F115 M116	E108-R112 PolarHBondContact O-N 2.9Å; E108-R112 IonicContact OE1-NH2 2.89Å; E108-R112 PolarHBondContact OE1-NH2 3.46Å; E108-R112 IonicContact OE2-CZ 2.78Å; E108-R112 IonicContact OE2-NE 2.68Å; E108-R112 PolarHBondContact OE2-NE 2.78Å; E108-R112 IonicContact OE2-NH2 3.39Å; E108-R112 PolarHBondContact OE2-NH2 3.22Å; R112-A114 PolarHBondContact O-N 3.34Å; R112-A114 VanDerWaalsContact O-N 3.16Å; R112-F115 PolarHBondContact O-N 3.44Å; R112-M116 HydrophobicContact CB-CE 3.69Å
113	G	92.4	Very high	83.4	Confident	1 Å²	1	98.2 Å²	98.2	1%	0.01	49%	0.494	C	S	.	.	G	3₁₀ helix	trans	-60.1	-30.1	-168.4	0	0	0	0	0	114.2	F85 A109 F115 M116	F85-G113 WeakPolarHBondContact CD2-O 3.38Å; A109-G113 WeakPolarHBondContact O-CA 3.37Å; A109-G113 PolarHBondContact O-N 3.44Å; G113-F115 PolarHBondContact O-N 3.49Å; G113-F115 VanDerWaalsContact O-N 3.1Å; G113-M116 PolarHBondContact O-N 2.9Å
114	A	91.8	Very high	81.1	Confident	45 Å²	45	98.3 Å²	98.3	37%	0.372	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-55.9	-27.6	174	0	0	0	0	0	113.6	Y88 R112	Y88-A114 HydrophobicContact CE1-CB 3.9Å; Y88-A114 HydrophobicContact CE2-CB 4.22Å; R112-A114 PolarHBondContact O-N 3.34Å; R112-A114 VanDerWaalsContact O-N 3.16Å
115	F	89.3	Confident	78.9	Confident	175 Å²	175	95.3 Å²	95.3	77%	0.768	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-101.5	0.4	-179	-51.1	-72.8	0	0	0	113.4	R112 G113 K117	R112-F115 PolarHBondContact O-N 3.44Å; G113-F115 PolarHBondContact O-N 3.49Å; G113-F115 VanDerWaalsContact O-N 3.1Å; F115-K117 PolarHBondContact O-N 3.37Å
116	M	86.8	Confident	76.4	Confident	42 Å²	42	101.8 Å²	101.8	21%	0.207	54%	0.536	C	S	.	.			trans	-85.6	3.6	-178.2	-64.2	-67.4	165.8	0	0	113	R81 F85 R112 G113 V118	R81-M116 HydrophobicContact CB-CB 4.33Å; R81-M116 HydrophobicContact CB-SD 4.15Å; R81-M116 HydrophobicContact CG-SD 3.81Å; R81-M116 WeakPolarHBondContact O-CB 3.47Å; F85-M116 HydrophobicContact CB-CB 4.11Å; R112-M116 HydrophobicContact CB-CE 3.69Å; G113-M116 PolarHBondContact O-N 2.9Å; M116-V118 PolarHBondContact O-N 3.2Å
117	K	81.8	Confident	73.9	Confident	86 Å²	86	104.9 Å²	104.9	37%	0.374	56%	0.558	S	S	.	*			trans	-65.7	113.4	170.9	-176.7	-179	177.7	179.3	0	109.4	E41 F85 F115 M119	E41-K117 VanDerWaalsContact OE2-CE 3.3Å; E41-K117 WeakPolarHBondContact OE2-CE 3.3Å; E41-K117 IonicContact OE2-NZ 3.59Å; E41-K117 PolarHBondContact OE2-NZ 3.05Å; F85-K117 HydrophobicContact CD2-CB 4.18Å; F85-K117 HydrophobicContact CE2-CB 3.89Å; F85-K117 HydrophobicContact CZ-CB 4.37Å; F115-K117 PolarHBondContact O-N 3.37Å; K117-M119 HydrophobicContact CD-CG 4.49Å; K117-M119 HydrophobicContact CD-SD 4.23Å; K117-M119 HydrophobicContact CG-CG 4.48Å; K117-M119 PolarHBondContact O-N 2.92Å
118	V	69.2	Low	71.4	Confident	87 Å²	87	106.4 Å²	106.4	53%	0.527	57%	0.569	S	S	.	*			trans	-76.3	105.9	172.8	-178	0	0	0	0	108.6	M116	M116-V118 PolarHBondContact O-N 3.2Å
119	M	60.7	Low	68.9	Low	146 Å²	146	113.7 Å²	113.7	72%	0.719	60%	0.603	S	S	*	*			trans	-87	108.4	169.4	-68.8	-84.9	-83.3	0	0	107.7	K117	K117-M119 HydrophobicContact CD-CG 4.49Å; K117-M119 HydrophobicContact CD-SD 4.23Å; K117-M119 HydrophobicContact CG-CG 4.48Å; K117-M119 PolarHBondContact O-N 2.92Å
120	K	58.5	Low	66.4	Low	149 Å²	149	118.1 Å²	118.1	65%	0.648	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-72.2	125.2	166.8	-68.4	-174.4	-179.4	179.1	0	107.6	K122	K120-K122 PolarHBondContact O-N 3.17Å
121	P	48.8	Very low	64.1	Low	117 Å²	117	115.8 Å²	115.8	76%	0.76	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56	129.5	168.9	22.7	-30.1	0	0	0	107.5	S123	P121-S123 PolarHBondContact O-N 3.38Å; P121-S123 VanDerWaalsContact O-N 3.07Å
122	K	47.8	Very low	61.5	Low	195 Å²	195	119.3 Å²	119.3	85%	0.848	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-55	120.9	175.8	-158.4	173.9	-171.6	176.3	0	106	K120 E124	K120-K122 PolarHBondContact O-N 3.17Å; K122-E124 PolarHBondContact O-N 3.39Å
123	S	55.5	Low	59.2	Low	119 Å²	119	122.1 Å²	122.1	83%	0.832	68%	0.675	S	S	*	*			trans	-61.4	93.6	170.1	-58.7	0	0	0	0	106.2	P121 A125	P121-S123 PolarHBondContact O-N 3.38Å; P121-S123 VanDerWaalsContact O-N 3.07Å; S123-A125 PolarHBondContact O-N 3.18Å
124	E	49.5	Very low	57.1	Low	176 Å²	176	129.8 Å²	129.8	82%	0.822	72%	0.716	S	S	*	*			trans	-59.3	110.9	165.2	-65.9	-165.1	149.7	0	0	104.5	K122 L126	K122-E124 PolarHBondContact O-N 3.39Å; E124-L126 PolarHBondContact O-N 3.19Å
125	A	50.4	Low	55.1	Low	90 Å²	90	137.3 Å²	137.3	74%	0.744	73%	0.734	S	S	*	*			trans	-52.4	114.1	166.4	0	0	0	0	0	105.6	S123 P127	S123-A125 PolarHBondContact O-N 3.18Å; A125-P127 WeakPolarHBondContact O-CD 3.43Å
126	L	44.9	Very low	53.2	Low	163 Å²	163	135 Å²	135	85%	0.853	74%	0.737	S	S	*	*			trans	-46.5	118.3	172.5	-77.1	145	0	0	0	106.5	E124 N128	E124-L126 PolarHBondContact O-N 3.19Å; L126-N128 PolarHBondContact O-N 3.19Å
127	P	44.3	Very low	51.8	Low	109 Å²	109	138.5 Å²	138.5	71%	0.708	76%	0.756	S	S	*	*			trans	-57.2	130.8	172.9	-14	25.4	0	0	0	106.5	A125 E129	A125-P127 WeakPolarHBondContact O-CD 3.43Å; P127-E129 PolarHBondContact O-N 3.42Å
128	N	44.9	Very low	50.8	Low	161 Å²	161	139.8 Å²	139.8	86%	0.861	77%	0.773	S	S	*	*			trans	-46.2	111.7	170.5	-93.9	-17.6	0	0	0	108.6	L126 A130	L126-N128 PolarHBondContact O-N 3.19Å; N128-A130 PolarHBondContact O-N 3.03Å
129	E	45.6	Very low	50.3	Low	200 Å²	200	145.6 Å²	145.6	94%	0.935	79%	0.787	S	S	*	*			trans	-69.4	70.5	173	-78.4	-91.7	140.2	0	0	108.7	P127	P127-E129 PolarHBondContact O-N 3.42Å
130	A	45.4	Very low	50.5	Low	94 Å²	94	142.4 Å²	142.4	78%	0.777	78%	0.776	S	S	*	*	S	Bend	trans	-136.6	78.7	169.8	0	0	0	0	0	108	N128	N128-A130 PolarHBondContact O-N 3.03Å
131	G	47.8	Very low	50.5	Low	72 Å²	72	140.3 Å²	140.3	74%	0.742	78%	0.777	S	S	*	*			trans	123.1	46.9	158.1	0	0	0	0	0	118.7
132	L	40.8	Very low	50.6	Low	149 Å²	149	141 Å²	141	78%	0.78	77%	0.773	S	S	*	*			trans	-118.4	76.7	168.1	-111.6	90.6	0	0	0	112.6	R135	L132-R135 HydrophobicContact CD2-CB 4.25Å
133	E	46.1	Very low	51.1	Low	189 Å²	189	137.4 Å²	137.4	88%	0.883	77%	0.77	S	S	*	*			trans	-84.5	-2.2	173.7	-92.1	-166.5	159.1	0	0	115.2
134	N	50	Low	51.3	Low	162 Å²	162	141 Å²	141	87%	0.866	77%	0.765	S	S	*	*	S	Bend	trans	-145.6	53.1	-170.5	-92.4	-40.8	0	0	0	116.2
135	R	48.8	Very low	51.6	Low	203 Å²	203	135 Å²	135	77%	0.766	75%	0.752	S	S	*	*			trans	-128.3	129.1	166.5	-147.1	174.7	-175.4	-172.1	1.1	111.9	L132 L137	L132-R135 HydrophobicContact CD2-CB 4.25Å; R135-L137 PolarHBondContact O-N 2.97Å; R135-L137 VanDerWaalsContact O-N 3.12Å
136	P	49.9	Very low	51.9	Low	126 Å²	126	136.6 Å²	136.6	82%	0.818	76%	0.757	S	S	*	*			trans	-68.3	112.4	175.3	26	-30.4	0	0	0	109.2
137	L	57.6	Low	52.4	Low	116 Å²	116	139.2 Å²	139.2	61%	0.607	76%	0.756	S	S	*	*			trans	-70.4	144.7	178.5	-70.6	161.6	0	0	0	110.8	R135	R135-L137 PolarHBondContact O-N 2.97Å; R135-L137 VanDerWaalsContact O-N 3.12Å
138	P	61.5	Low	53.3	Low	112 Å²	112	140.4 Å²	140.4	73%	0.727	76%	0.756	S	S	*	*			trans	-59.8	142.4	170.4	24.8	-31.8	0	0	0	110.7	T140	P138-T140 PolarHBondContact O-N 3.48Å; P138-T140 PolarHBondContact O-OG1 2.96Å
139	Y	57.2	Low	53.9	Low	210 Å²	210	137.9 Å²	137.9	82%	0.824	76%	0.758	S	S	*	*			trans	-43.5	119.5	-173	179.1	-99	0	0	0	112.6	P141	Y139-P141 HydrophobicContact CE1-CB 4.18Å
140	T	64.7	Low	54.5	Low	79 Å²	79	131.8 Å²	131.8	49%	0.485	75%	0.749	S	S	.	*			trans	-108.8	123.3	172.5	-31	0	0	0	0	107.8	P138 L142	P138-T140 PolarHBondContact O-N 3.48Å; P138-T140 PolarHBondContact O-OG1 2.96Å; T140-L142 HydrophobicContact CG2-CB 4.39Å; T140-L142 PolarHBondContact O-N 3.31Å; T140-L142 VanDerWaalsContact O-N 3.16Å
141	P	60	Low	55	Low	104 Å²	104	133.3 Å²	133.3	68%	0.675	74%	0.744	S	S	*	*	S	Bend	trans	-73.7	-1.8	-178.6	29.9	-34.9	0	0	0	113.2	Y139	Y139-P141 HydrophobicContact CE1-CB 4.18Å
142	L	50.6	Low	55.4	Low	131 Å²	131	137.3 Å²	137.3	69%	0.686	74%	0.743	S	S	*	*	S	Bend	trans	-90.8	133.7	-179.7	-69.8	166.3	0	0	0	110.5	T140 R144	T140-L142 HydrophobicContact CG2-CB 4.39Å; T140-L142 PolarHBondContact O-N 3.31Å; T140-L142 VanDerWaalsContact O-N 3.16Å; L142-R144 PolarHBondContact O-N 3.16Å
143	P	57.2	Low	56.3	Low	121 Å²	121	138.8 Å²	138.8	79%	0.786	74%	0.743	S	S	*	*			trans	-61.3	128.8	177.7	7.1	-6.8	0	0	0	110.4	G145	P143-G145 PolarHBondContact O-N 3Å
144	R	61.1	Low	57	Low	193 Å²	193	133 Å²	133	73%	0.728	74%	0.735	S	S	*	*			trans	-73.6	92.2	169.6	-67.5	-172.7	-176.4	-177.7	4.6	108.7	L142	L142-R144 PolarHBondContact O-N 3.16Å
145	G	55.6	Low	57.4	Low	52 Å²	52	131.5 Å²	131.5	54%	0.536	73%	0.731	S	S	.	*			trans	-152.2	109.1	175	0	0	0	0	0	110.5	P143 R147	P143-G145 PolarHBondContact O-N 3Å; G145-R147 PolarHBondContact O-N 3Å; G145-R147 VanDerWaalsContact O-N 3.12Å
146	S	56.4	Low	57.8	Low	123 Å²	123	132.3 Å²	132.3	86%	0.86	74%	0.74	S	S	*	*			trans	-61	108.9	152.6	-178.2	0	0	0	0	106.2	D148	S146-D148 PolarHBondContact O-N 3.09Å
147	R	55.5	Low	58.1	Low	217 Å²	217	130.1 Å²	130.1	82%	0.819	73%	0.733	S	S	*	*			trans	-82.3	113	176.3	-64	176.1	97.5	172	6.1	106.7	G145 A149	G145-R147 PolarHBondContact O-N 3Å; G145-R147 VanDerWaalsContact O-N 3.12Å; R147-A149 PolarHBondContact O-N 3.44Å
148	D	62.3	Low	58	Low	135 Å²	135	133.1 Å²	133.1	72%	0.722	74%	0.741	S	S	*	*			trans	-51.3	128.9	164.7	-84.6	-45.8	0	0	0	109.3	S146 G150 N151	S146-D148 PolarHBondContact O-N 3.09Å; D148-G150 PolarHBondContact O-N 3.43Å; D148-N151 PolarHBondContact O-N 3.12Å; D148-N151 VanDerWaalsContact O-N 3.12Å
149	A	57.9	Low	57.3	Low	108 Å²	108	133 Å²	133	89%	0.893	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-12.4	-176.3	0	0	0	0	0	113.9	R147	R147-A149 PolarHBondContact O-N 3.44Å
150	G	59	Low	57.1	Low	72 Å²	72	133.5 Å²	133.5	74%	0.742	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-11.2	179.3	0	0	0	0	0	116.1	D148	D148-G150 PolarHBondContact O-N 3.43Å
151	N	56.1	Low	56.5	Low	125 Å²	125	138.2 Å²	138.2	67%	0.668	75%	0.752	S	S	*	*			trans	-111.6	42.8	-168.1	-138	8.1	0	0	0	113.8	D148 K153	D148-N151 PolarHBondContact O-N 3.12Å; D148-N151 VanDerWaalsContact O-N 3.12Å; N151-K153 PolarHBondContact O-N 3.22Å
152	H	55.9	Low	56.6	Low	156 Å²	156	138.7 Å²	138.7	72%	0.722	75%	0.748	S	S	*	*			trans	-75.5	109.1	170.2	82.2	-72.8	0	0	0	109.5
153	K	60	Low	56.8	Low	180 Å²	180	138.6 Å²	138.6	78%	0.783	74%	0.739	S	S	*	*			trans	-100	81.3	157.9	-67.1	-168	-178.4	-173.9	0	107.3	N151 V155	N151-K153 PolarHBondContact O-N 3.22Å; K153-V155 PolarHBondContact O-N 3.47Å
154	G	59.5	Low	56.7	Low	69 Å²	69	141.2 Å²	141.2	71%	0.711	74%	0.735	S	S	*	*			trans	-67.6	117.3	169.5	0	0	0	0	0	108.7
155	V	59.3	Low	56.6	Low	129 Å²	129	133.3 Å²	133.3	78%	0.782	71%	0.713	S	S	*	*			trans	-92.8	113.7	169.4	177.9	0	0	0	0	107.2	K153 A157	K153-V155 PolarHBondContact O-N 3.47Å; V155-A157 PolarHBondContact O-N 3.5Å
156	F	56.9	Low	56.6	Low	220 Å²	220	137.3 Å²	137.3	97%	0.965	72%	0.723	S	S	*	*			trans	-77	87.2	172.6	-134.2	-85.9	0	0	0	108.4
157	A	56.6	Low	56.5	Low	81 Å²	81	140.3 Å²	140.3	67%	0.669	72%	0.723	S	S	*	*			trans	-90.1	116	174	0	0	0	0	0	109.4	V155 C159	V155-A157 PolarHBondContact O-N 3.5Å; A157-C159 PolarHBondContact O-N 2.81Å
158	K	54.1	Low	56.5	Low	178 Å²	178	132.6 Å²	132.6	77%	0.774	70%	0.702	S	S	*	*			trans	-74	94.9	172.2	-162.8	175.6	-170.5	171.7	0	108.3	R160	K158-R160 PolarHBondContact O-N 3.38Å; K158-R160 VanDerWaalsContact O-N 3.14Å
159	C	47.7	Very low	56.4	Low	111 Å²	111	133.4 Å²	133.4	75%	0.75	70%	0.701	S	S	*	*			trans	-63.5	112.7	172.3	-169	0	0	0	0	108.8	A157 Y161	A157-C159 PolarHBondContact O-N 2.81Å; C159-Y161 VanDerWaalsContact C-N 3.29Å
160	R	51.9	Low	56.6	Low	219 Å²	219	131 Å²	131	83%	0.826	69%	0.688	S	S	*	*			trans	-97.1	35.6	172.5	-70.1	-173.2	174.5	-178.1	-0.8	111.1	K158 I162	K158-R160 PolarHBondContact O-N 3.38Å; K158-R160 VanDerWaalsContact O-N 3.14Å; R160-I162 PolarHBondContact O-N 3.29Å
161	Y	53.9	Low	56.6	Low	179 Å²	179	131.6 Å²	131.6	70%	0.702	67%	0.673	S	S	*	*			trans	-88.3	102.8	172.3	-168.6	-99.6	0	0	0	108.6	C159 Y163	C159-Y161 VanDerWaalsContact C-N 3.29Å; Y161-Y163 HydrophobicContact CE1-CD2 4.13Å
162	I	60.9	Low	56.7	Low	113 Å²	113	133.5 Å²	133.5	58%	0.579	67%	0.671	S	S	*	*			trans	-92	108.5	172.1	-59	174.1	0	0	0	106.6	R160 Y164	R160-I162 PolarHBondContact O-N 3.29Å; I162-Y164 HydrophobicContact CB-CD2 4.48Å; I162-Y164 HydrophobicContact CB-CE2 3.87Å; I162-Y164 HydrophobicContact CG2-CD2 4.01Å; I162-Y164 HydrophobicContact CG2-CE1 4.1Å; I162-Y164 HydrophobicContact CG2-CE2 3.48Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.48Å; I162-Y164 WeakPolarHBondContact O-CD2 3.42Å; I162-Y164 PolarHBondContact O-N 3.12Å
163	Y	54.2	Low	56.8	Low	130 Å²	130	134.7 Å²	134.7	51%	0.51	68%	0.675	S	S	.	*			trans	-79.5	106.2	174.1	-179	-103.7	0	0	0	109.3	Y161 G165 S168	Y161-Y163 HydrophobicContact CE1-CD2 4.13Å; Y163-G165 PolarHBondContact O-N 3.33Å; Y163-G165 VanDerWaalsContact O-N 3.13Å; Y163-S168 WeakPolarHBondContact OH-CB 3.42Å
164	Y	56.7	Low	57	Low	175 Å²	175	132 Å²	132	69%	0.686	67%	0.667	S	S	*	*			trans	-81.9	88.1	170.7	-67	-86.1	0	0	0	108.1	I162 N166	I162-Y164 HydrophobicContact CB-CD2 4.48Å; I162-Y164 HydrophobicContact CB-CE2 3.87Å; I162-Y164 HydrophobicContact CG2-CD2 4.01Å; I162-Y164 HydrophobicContact CG2-CE1 4.1Å; I162-Y164 HydrophobicContact CG2-CE2 3.48Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.48Å; I162-Y164 WeakPolarHBondContact O-CD2 3.42Å; I162-Y164 PolarHBondContact O-N 3.12Å; Y164-N166 PolarHBondContact O-N 2.89Å
165	G	57.3	Low	57	Low	27 Å²	27	138.5 Å²	138.5	28%	0.278	67%	0.671	S	S	.	*			trans	-72.2	56.5	-174.6	0	0	0	0	0	114.5	Y163 H167	Y163-G165 PolarHBondContact O-N 3.33Å; Y163-G165 VanDerWaalsContact O-N 3.13Å; G165-H167 PolarHBondContact O-N 3.34Å
166	N	56.4	Low	56.9	Low	137 Å²	137	139.1 Å²	139.1	73%	0.733	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-8.8	179.5	-68.9	-9.9	0	0	0	113.3	Y164	Y164-N166 PolarHBondContact O-N 2.89Å
167	H	54.3	Low	56.8	Low	186 Å²	186	136.1 Å²	136.1	86%	0.861	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.6	16.4	-178.9	-64.3	149.3	0	0	0	114.9	G165	G165-H167 PolarHBondContact O-N 3.34Å
168	S	55.8	Low	56.7	Low	54 Å²	54	141.1 Å²	141.1	38%	0.378	67%	0.673	S	S	.	*			trans	-97.9	110.9	177.8	-157.6	0	0	0	0	111.1	Y163 G170 N171	Y163-S168 WeakPolarHBondContact OH-CB 3.42Å; S168-G170 PolarHBondContact O-N 3.13Å; S168-G170 VanDerWaalsContact O-N 3.09Å; S168-N171 PolarHBondContact O-N 3.28Å
169	E	58.9	Low	56.5	Low	152 Å²	152	142.9 Å²	142.9	71%	0.71	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-62.6	-14.3	177.8	-69	-146.4	164.7	0	0	113.9	R172	E169-R172 PolarHBondContact O-NE 3.42Å; E169-R172 IonicContact OE2-NH2 3.91Å; E169-R172 PolarHBondContact OE2-NH2 3.05Å
170	G	62.5	Low	56.9	Low	59 Å²	59	144.5 Å²	144.5	61%	0.608	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-80.4	-10.1	-175.6	0	0	0	0	0	115.8	S168 R172	S168-G170 PolarHBondContact O-N 3.13Å; S168-G170 VanDerWaalsContact O-N 3.09Å; G170-R172 VanDerWaalsContact C-N 3.33Å; G170-R172 PolarHBondContact O-N 3.32Å
171	N	59.3	Low	57.2	Low	83 Å²	83	140.6 Å²	140.6	44%	0.444	68%	0.679	S	S	.	*	G	3₁₀ helix	trans	-91	12.1	-178.5	-73.1	-17.2	0	0	0	114	S168 F173	S168-N171 PolarHBondContact O-N 3.28Å; N171-F173 PolarHBondContact O-N 3.03Å
172	R	59.3	Low	57.3	Low	166 Å²	166	138.4 Å²	138.4	63%	0.626	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-13.5	-174.4	-107.4	-177.8	-71.1	-170.2	-4.3	115.6	E169 G170	E169-R172 PolarHBondContact O-NE 3.42Å; E169-R172 IonicContact OE2-NH2 3.91Å; E169-R172 PolarHBondContact OE2-NH2 3.05Å; G170-R172 VanDerWaalsContact C-N 3.33Å; G170-R172 PolarHBondContact O-N 3.32Å
173	F	57.6	Low	57.1	Low	180 Å²	180	139.9 Å²	139.9	79%	0.789	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	0.8	-169.7	-57.4	-74.3	0	0	0	115.2	N171 R175	N171-F173 PolarHBondContact O-N 3.03Å; F173-R175 PolarHBondContact O-N 3.48Å
174	I	64.4	Low	57.3	Low	123 Å²	123	140.6 Å²	140.6	63%	0.631	70%	0.695	S	S	*	*			trans	-78.1	115.4	175.6	-54.5	-179.8	0	0	0	107.7
175	R	59.4	Low	57.4	Low	207 Å²	207	138.3 Å²	138.3	78%	0.781	70%	0.696	S	S	*	*			trans	-102.3	143.7	175.4	-64.7	-173.6	-179.5	-172.1	1.3	109.4	F173 D177	F173-R175 PolarHBondContact O-N 3.48Å; R175-D177 PolarHBondContact O-N 2.94Å
176	N	56.3	Low	57.4	Low	141 Å²	141	146.2 Å²	146.2	75%	0.754	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-68.4	9	-169.5	-71.9	-24.9	0	0	0	115.9	E178	N176-E178 VanDerWaalsContact C-N 3.31Å; N176-E178 PolarHBondContact O-N 3.14Å
177	D	55.5	Low	57.4	Low	157 Å²	157	146.9 Å²	146.9	84%	0.84	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-88.8	5.7	-176.5	-64	-35.4	0	0	0	113.5	R175	R175-D177 PolarHBondContact O-N 2.94Å
178	E	55.3	Low	57.7	Low	187 Å²	187	143.7 Å²	143.7	87%	0.874	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-120	29.1	177.3	-65.1	-170.5	163.8	0	0	113.7	N176	N176-E178 VanDerWaalsContact C-N 3.31Å; N176-E178 PolarHBondContact O-N 3.14Å
179	L	48.2	Very low	57.9	Low	215 Å²	215	151.8 Å²	151.8	100%	1.126	74%	0.744	S	S	*	*			trans	-118.5	0	171.7	-95.5	117.8	0	0	0	113.1

Retrieved 179 of 179 residues in 281.2 ms (Link to these results)

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