A0A077Z904_TRITR Loading...

Uncharacterized protein

AlphaFold DB (P39283), UniProt , Accession A0A077Z904, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 104 aa.

						>A0A077Z904_TRITR|A0A077Z904
MDDTSRDPAITEDEIRALQFSAGDVAEIEQTILSFVDACHTRKVAMVVGSTINTLKDRDGKRWGNLPDIYCAYLIRCLVFRGELVGYGDLFRMRYSEIKRPVTL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	44.6	Very low	76.6	Confident	236 Å²	236	100.4 Å²	100.4	100%	1.163	56%	0.555	S	S	*	*				0	102.3	0	-87.6	-178.5	172.6	0	0	105.7	D3	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.75Å; M1-D3 VanDerWaalsContact O-N 3.09Å
2	D	54.3	Low	78	Confident	147 Å²	147	102.5 Å²	102.5	79%	0.786	56%	0.558	S	S	*	*			trans	-80	90.8	177.7	-64.4	-9.7	0	0	0	106.6	T4	D2-T4 HydrophobicContact CB-CG2 4.04Å; D2-T4 PolarHBondContact O-N 2.81Å
3	D	64	Low	79.3	Confident	96 Å²	96	103.1 Å²	103.1	51%	0.513	56%	0.56	S	S	.	*			trans	-71.7	81.6	170.7	-168	-0.8	0	0	0	108.2	M1 S5 R92	M1-D3 VanDerWaalsContact C-N 3.33Å; M1-D3 PolarHBondContact O-N 2.75Å; M1-D3 VanDerWaalsContact O-N 3.09Å; D3-S5 WeakPolarHBondContact OD1-CB 3.42Å; D3-S5 PolarHBondContact OD1-N 3.42Å; D3-S5 PolarHBondContact OD1-OG 3.31Å; D3-R92 PolarHBondContact O-NH2 3.23Å
4	T	65.5	Low	80.5	Confident	104 Å²	104	102.1 Å²	102.1	64%	0.638	55%	0.55	S	S	*	*			trans	-82	1	176	56.2	0	0	0	0	112.3	D2	D2-T4 HydrophobicContact CB-CG2 4.04Å; D2-T4 PolarHBondContact O-N 2.81Å
5	S	80.8	Confident	81.4	Confident	70 Å²	70	98 Å²	98	49%	0.49	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-67.8	146.2	179.7	74.4	0	0	0	0	110.4	D3	D3-S5 WeakPolarHBondContact OD1-CB 3.42Å; D3-S5 PolarHBondContact OD1-N 3.42Å; D3-S5 PolarHBondContact OD1-OG 3.31Å
6	R	86.8	Confident	82.1	Confident	155 Å²	155	100.7 Å²	100.7	59%	0.585	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-73.8	145.4	166.9	-76.8	-178.4	168.5	170.2	0.9	108.4	D89 F91 R92	R6-D89 IonicContact CZ-OD2 3.36Å; R6-D89 IonicContact NE-OD1 3.39Å; R6-D89 IonicContact NE-OD2 2.77Å; R6-D89 PolarHBondContact NE-OD2 3.45Å; R6-D89 IonicContact NH2-OD2 3.48Å; R6-D89 PolarHBondContact NH2-OD2 2.68Å; R6-F91 CarbonylContact C-O 3.49Å; R6-F91 WeakPolarHBondContact CA-O 3.18Å; R6-F91 HydrophobicContact CB-CB 4.09Å; R6-F91 HydrophobicContact CG-CB 3.85Å; R6-R92 HydrophobicContact CG-CG 4.18Å
7	D	84.3	Confident	82.8	Confident	49 Å²	49	99.2 Å²	99.2	26%	0.262	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-55.1	141.8	166.4	-57.3	-49.5	0	0	0	108.8	A9 F91 R92 M93	D7-A9 PolarHBondContact O-N 2.91Å; D7-F91 PolarHBondContact N-O 3.36Å; D7-R92 VanDerWaalsContact OD2-CA 3.26Å; D7-R92 WeakPolarHBondContact OD2-CA 3.22Å; D7-M93 HydrophobicContact CB-CE 4.47Å; D7-M93 VanDerWaalsContact OD2-CG 3.3Å; D7-M93 WeakPolarHBondContact OD2-CG 3.17Å; D7-M93 PolarHBondContact OD2-N 3.41Å
8	P	86.5	Confident	83.5	Confident	96 Å²	96	96 Å²	96	62%	0.623	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-57.8	135.1	178.4	22.4	-31.4	0	0	0	110.4	I69	P8-I69 HydrophobicContact CG-CG2 4.16Å
9	A	88.5	Confident	84	Confident	63 Å²	63	100.3 Å²	100.3	52%	0.521	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-77	127.2	173.7	0	0	0	0	0	109.1	D7 T11	D7-A9 PolarHBondContact O-N 2.91Å; A9-T11 PolarHBondContact O-N 3.42Å
10	I	93	Very high	84.6	Confident	17 Å²	17	97.5 Å²	97.5	9%	0.087	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-66	131.1	169.7	-166.2	166.9	0	0	0	109.6	E14 I15 L18 I69 Y70 Y73	I10-E14 HydrophobicContact CD1-CB 4.15Å; I10-E14 HydrophobicContact CG1-CB 3.61Å; I10-I15 HydrophobicContact CD1-CG1 3.96Å; I10-I15 HydrophobicContact CG1-CG1 4Å; I10-I15 HydrophobicContact CG2-CD1 4.09Å; I10-I15 HydrophobicContact CG2-CG1 4.1Å; I10-L18 HydrophobicContact CD1-CD1 4.26Å; I10-I69 HydrophobicContact CB-CD1 4.07Å; I10-I69 HydrophobicContact CB-CG1 4.35Å; I10-I69 HydrophobicContact CD1-CD1 4.19Å; I10-I69 HydrophobicContact CD1-CG1 4.21Å; I10-I69 HydrophobicContact CG1-CD1 4.11Å; I10-Y70 HydrophobicContact CD1-CD2 3.91Å; I10-Y70 HydrophobicContact CD1-CG 4.39Å; I10-Y73 HydrophobicContact CG2-CD2 4.09Å; I10-Y73 HydrophobicContact CG2-CG 3.87Å
11	T	94.6	Very high	85.1	Confident	71 Å²	71	95.8 Å²	95.8	44%	0.436	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-81.7	161.9	178	64.2	0	0	0	0	111.3	A9 D13 E14 I15	A9-T11 PolarHBondContact O-N 3.42Å; T11-D13 VanDerWaalsContact C-N 3.29Å; T11-D13 PolarHBondContact O-N 2.65Å; T11-E14 WeakPolarHBondContact CB-OE2 3.41Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.39Å; T11-E14 PolarHBondContact N-OE2 3.02Å; T11-E14 PolarHBondContact O-N 3.35Å; T11-E14 WeakPolarHBondContact OG1-CB 3.34Å; T11-E14 VanDerWaalsContact OG1-CD 3.29Å; T11-E14 WeakPolarHBondContact OG1-CG 3.04Å; T11-E14 PolarHBondContact OG1-N 3.19Å; T11-E14 PolarHBondContact OG1-OE2 3.27Å; T11-I15 WeakPolarHBondContact O-CG1 3.3Å; T11-I15 PolarHBondContact O-N 3.24Å
12	E	92.8	Very high	87.6	Confident	126 Å²	126	88.8 Å²	88.8	59%	0.589	49%	0.491	S	S	*	.	H	α-helix	trans	-63.9	-35.4	177.2	-162	-178.1	174.2	0	0	112.2	I15 R16	E12-I15 PolarHBondContact O-N 3.05Å; E12-R16 VanDerWaalsContact CD-CZ 3.46Å; E12-R16 VanDerWaalsContact O-CG 3.3Å; E12-R16 WeakPolarHBondContact O-CG 3.45Å; E12-R16 PolarHBondContact O-N 3.4Å; E12-R16 IonicContact OE1-CZ 3.96Å; E12-R16 IonicContact OE1-NE 3.85Å; E12-R16 IonicContact OE1-NH2 2.81Å; E12-R16 PolarHBondContact OE1-NH2 3.01Å; E12-R16 IonicContact OE2-CZ 3.71Å; E12-R16 IonicContact OE2-NH2 2.67Å; E12-R16 PolarHBondContact OE2-NH2 3.17Å
13	D	95.5	Very high	89.6	Confident	110 Å²	110	83.8 Å²	83.8	59%	0.588	47%	0.474	S	S	*	.	H	α-helix	trans	-67.6	-38	176.8	-69.1	-31.4	0	0	0	112.2	T11 R16 A17	T11-D13 VanDerWaalsContact C-N 3.29Å; T11-D13 PolarHBondContact O-N 2.65Å; D13-R16 PolarHBondContact O-N 2.75Å; D13-R16 IonicContact OD1-CZ 2.75Å; D13-R16 IonicContact OD1-NH1 3.91Å; D13-R16 PolarHBondContact OD1-NH1 3.38Å; D13-A17 WeakPolarHBondContact O-CB 3.44Å; D13-A17 PolarHBondContact O-N 3.48Å
14	E	95.3	Very high	91.2	Very high	90 Å²	90	80.2 Å²	80.2	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-65.1	-39.8	172	-72.8	167.5	131.7	0	0	111.7	I10 T11 A17 L18	I10-E14 HydrophobicContact CD1-CB 4.15Å; I10-E14 HydrophobicContact CG1-CB 3.61Å; T11-E14 WeakPolarHBondContact CB-OE2 3.41Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.39Å; T11-E14 PolarHBondContact N-OE2 3.02Å; T11-E14 PolarHBondContact O-N 3.35Å; T11-E14 WeakPolarHBondContact OG1-CB 3.34Å; T11-E14 VanDerWaalsContact OG1-CD 3.29Å; T11-E14 WeakPolarHBondContact OG1-CG 3.04Å; T11-E14 PolarHBondContact OG1-N 3.19Å; T11-E14 PolarHBondContact OG1-OE2 3.27Å; E14-A17 PolarHBondContact O-N 2.92Å; E14-L18 WeakPolarHBondContact O-CG 3.4Å; E14-L18 PolarHBondContact O-N 3.29Å
15	I	93.9	Very high	92.7	Very high	40 Å²	40	76.7 Å²	76.7	21%	0.205	43%	0.434	C	S	.	.	H	α-helix	trans	-60.6	-47.4	173.8	-68.2	168.1	0	0	0	110.4	I10 T11 E12 A17 L18 Y70 Y73	I10-I15 HydrophobicContact CD1-CG1 3.96Å; I10-I15 HydrophobicContact CG1-CG1 4Å; I10-I15 HydrophobicContact CG2-CD1 4.09Å; I10-I15 HydrophobicContact CG2-CG1 4.1Å; T11-I15 WeakPolarHBondContact O-CG1 3.3Å; T11-I15 PolarHBondContact O-N 3.24Å; E12-I15 PolarHBondContact O-N 3.05Å; I15-A17 VanDerWaalsContact C-N 3.31Å; I15-A17 PolarHBondContact O-N 3.36Å; I15-L18 WeakPolarHBondContact O-CB 3.39Å; I15-L18 PolarHBondContact O-N 3.42Å; I15-Y70 HydrophobicContact CG1-CD2 4.18Å; I15-Y70 HydrophobicContact CG1-CE2 4.16Å; I15-Y70 HydrophobicContact CG2-CE2 4.05Å; I15-Y73 HydrophobicContact CD1-CD1 4.09Å; I15-Y73 HydrophobicContact CD1-CD2 4.38Å; I15-Y73 HydrophobicContact CD1-CE1 3.73Å; I15-Y73 HydrophobicContact CD1-CE2 4.05Å; I15-Y73 HydrophobicContact CD1-CG 4.4Å
16	R	93.3	Very high	93.5	Very high	141 Å²	141	75.7 Å²	75.7	53%	0.532	43%	0.429	S	S	.	.	H	α-helix	trans	-62.8	-37.6	179.1	-70.5	170.7	-170.7	148.6	-5	112	E12 D13 L18 Q19	E12-R16 VanDerWaalsContact CD-CZ 3.46Å; E12-R16 VanDerWaalsContact O-CG 3.3Å; E12-R16 WeakPolarHBondContact O-CG 3.45Å; E12-R16 PolarHBondContact O-N 3.4Å; E12-R16 IonicContact OE1-CZ 3.96Å; E12-R16 IonicContact OE1-NE 3.85Å; E12-R16 IonicContact OE1-NH2 2.81Å; E12-R16 PolarHBondContact OE1-NH2 3.01Å; E12-R16 IonicContact OE2-CZ 3.71Å; E12-R16 IonicContact OE2-NH2 2.67Å; E12-R16 PolarHBondContact OE2-NH2 3.17Å; D13-R16 PolarHBondContact O-N 2.75Å; D13-R16 IonicContact OD1-CZ 2.75Å; D13-R16 IonicContact OD1-NH1 3.91Å; D13-R16 PolarHBondContact OD1-NH1 3.38Å; R16-L18 PolarHBondContact O-N 2.62Å; R16-Q19 PolarHBondContact O-N 3.31Å
17	A	94.8	Very high	94.1	Very high	76 Å²	76	71 Å²	71	63%	0.628	41%	0.414	S	S	*	.	H	α-helix	trans	-65.4	-20.8	179.4	0	0	0	0	0	113.6	D13 E14 I15 Q19	D13-A17 WeakPolarHBondContact O-CB 3.44Å; D13-A17 PolarHBondContact O-N 3.48Å; E14-A17 PolarHBondContact O-N 2.92Å; I15-A17 VanDerWaalsContact C-N 3.31Å; I15-A17 PolarHBondContact O-N 3.36Å; A17-Q19 VanDerWaalsContact C-N 3.25Å; A17-Q19 PolarHBondContact O-N 2.74Å
18	L	93.9	Very high	94.8	Very high	41 Å²	41	68.6 Å²	68.6	22%	0.215	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.8	175.8	-66	167.2	0	0	0	113.1	I10 E14 I15 R16 F20 P67 Y70	I10-L18 HydrophobicContact CD1-CD1 4.26Å; E14-L18 WeakPolarHBondContact O-CG 3.4Å; E14-L18 PolarHBondContact O-N 3.29Å; I15-L18 WeakPolarHBondContact O-CB 3.39Å; I15-L18 PolarHBondContact O-N 3.42Å; R16-L18 PolarHBondContact O-N 2.62Å; L18-F20 HydrophobicContact CB-CD2 3.69Å; L18-F20 HydrophobicContact CB-CE2 3.84Å; L18-F20 HydrophobicContact CB-CG 4.15Å; L18-F20 HydrophobicContact CB-CZ 4.38Å; L18-F20 HydrophobicContact CD1-CD2 4.03Å; L18-F20 HydrophobicContact CD1-CE2 3.8Å; L18-F20 HydrophobicContact CD2-CE2 4.16Å; L18-F20 HydrophobicContact CD2-CZ 4.39Å; L18-F20 HydrophobicContact CG-CD2 4.37Å; L18-F20 HydrophobicContact CG-CE2 4.14Å; L18-F20 PolarHBondContact O-N 3.13Å; L18-P67 HydrophobicContact CD2-CG 3.71Å; L18-Y70 HydrophobicContact CD1-CD1 4.08Å; L18-Y70 HydrophobicContact CD1-CD2 3.43Å; L18-Y70 VanDerWaalsContact CD1-CD2 3.43Å; L18-Y70 HydrophobicContact CD1-CE1 4.46Å; L18-Y70 HydrophobicContact CD1-CE2 3.89Å; L18-Y70 HydrophobicContact CD1-CG 3.53Å
19	Q	93.8	Very high	95.3	Very high	177 Å²	177	65.3 Å²	65.3	83%	0.827	38%	0.377	S	S	*	.			trans	53.1	26.5	-179.8	-54	-170.7	-63.9	0	0	114.4	R16 A17 S21	R16-Q19 PolarHBondContact O-N 3.31Å; A17-Q19 VanDerWaalsContact C-N 3.25Å; A17-Q19 PolarHBondContact O-N 2.74Å; Q19-S21 PolarHBondContact O-N 3.23Å
20	F	95	Very high	95.8	Very high	45 Å²	45	68.1 Å²	68.1	20%	0.197	38%	0.38	C	S	.	.			trans	-65.9	128.1	175.5	-71.2	-36.3	0	0	0	110.8	L18 D24 V25 I28 W63 L66 Y70	L18-F20 HydrophobicContact CB-CD2 3.69Å; L18-F20 HydrophobicContact CB-CE2 3.84Å; L18-F20 HydrophobicContact CB-CG 4.15Å; L18-F20 HydrophobicContact CB-CZ 4.38Å; L18-F20 HydrophobicContact CD1-CD2 4.03Å; L18-F20 HydrophobicContact CD1-CE2 3.8Å; L18-F20 HydrophobicContact CD2-CE2 4.16Å; L18-F20 HydrophobicContact CD2-CZ 4.39Å; L18-F20 HydrophobicContact CG-CD2 4.37Å; L18-F20 HydrophobicContact CG-CE2 4.14Å; L18-F20 PolarHBondContact O-N 3.13Å; F20-D24 HydrophobicContact CB-CB 3.81Å; F20-D24 HydrophobicContact CD1-CB 3.91Å; F20-D24 HydrophobicContact CG-CB 4.09Å; F20-V25 HydrophobicContact CB-CG2 4.12Å; F20-I28 HydrophobicContact CD2-CD1 4.25Å; F20-I28 HydrophobicContact CE2-CD1 4.09Å; F20-I28 HydrophobicContact CZ-CD1 4.48Å; F20-W63 HydrophobicContact CD1-CZ3 4.39Å; F20-W63 HydrophobicContact CE1-CE3 4.32Å; F20-W63 AromaticContact CE1-CZ3 3.98Å; F20-W63 HydrophobicContact CE1-CZ3 3.98Å; F20-W63 HydrophobicContact CZ-CZ3 4.38Å; F20-L66 HydrophobicContact CE2-CD1 3.76Å; F20-L66 HydrophobicContact CZ-CD1 3.76Å; F20-Y70 HydrophobicContact CD2-CD1 4Å; F20-Y70 AromaticContact CD2-CE1 3.42Å; F20-Y70 HydrophobicContact CD2-CE1 3.42Å; F20-Y70 VanDerWaalsContact CD2-CE1 3.42Å; F20-Y70 AromaticContact CD2-CZ 3.8Å; F20-Y70 AromaticContact CE2-CD1 3.68Å; F20-Y70 HydrophobicContact CE2-CD1 3.68Å; F20-Y70 AromaticContact CE2-CE1 3.58Å; F20-Y70 HydrophobicContact CE2-CE1 3.58Å; F20-Y70 HydrophobicContact CE2-CG 4.47Å
21	S	95.8	Very high	96.1	Very high	62 Å²	62	67.5 Å²	67.5	43%	0.434	38%	0.377	S	S	.	.			trans	-69.4	163.6	169.3	71.7	0	0	0	0	111	Q19 G23 D24 V25	Q19-S21 PolarHBondContact O-N 3.23Å; S21-G23 PolarHBondContact O-N 3.08Å; S21-G23 VanDerWaalsContact O-N 3.17Å; S21-G23 PolarHBondContact OG-N 3.11Å; S21-D24 WeakPolarHBondContact CA-OD2 3.47Å; S21-D24 VanDerWaalsContact CB-OD2 3.25Å; S21-D24 WeakPolarHBondContact CB-OD2 3.16Å; S21-D24 PolarHBondContact N-OD2 2.95Å; S21-D24 WeakPolarHBondContact O-CB 3.34Å; S21-D24 PolarHBondContact O-N 3Å; S21-D24 VanDerWaalsContact OG-CG 3.26Å; S21-D24 PolarHBondContact OG-N 3.19Å; S21-D24 VanDerWaalsContact OG-N 3.15Å; S21-D24 PolarHBondContact OG-OD2 3.26Å; S21-V25 WeakPolarHBondContact O-CG2 3.12Å; S21-V25 PolarHBondContact O-N 2.97Å
22	A	96.5	Very high	96.2	Very high	88 Å²	88	64.1 Å²	64.1	73%	0.727	36%	0.356	S	S	*	.	H	α-helix	trans	-56.6	-32.2	173	0	0	0	0	0	112.5	A26	A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 2.62Å
23	G	97.6	Very high	96.5	Very high	43 Å²	43	58.4 Å²	58.4	44%	0.443	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-38.1	174.5	0	0	0	0	0	113	S21 A26 E27	S21-G23 PolarHBondContact O-N 3.08Å; S21-G23 VanDerWaalsContact O-N 3.17Å; S21-G23 PolarHBondContact OG-N 3.11Å; G23-A26 PolarHBondContact O-N 3.15Å; G23-E27 WeakPolarHBondContact O-CB 3.41Å; G23-E27 PolarHBondContact O-N 3Å
24	D	97.2	Very high	96.6	Very high	20 Å²	20	57 Å²	57	11%	0.107	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-47.8	173.6	-63	-59.3	0	0	0	111	F20 S21 A26 E27 I28 R62 W63	F20-D24 HydrophobicContact CB-CB 3.81Å; F20-D24 HydrophobicContact CD1-CB 3.91Å; F20-D24 HydrophobicContact CG-CB 4.09Å; S21-D24 WeakPolarHBondContact CA-OD2 3.47Å; S21-D24 VanDerWaalsContact CB-OD2 3.25Å; S21-D24 WeakPolarHBondContact CB-OD2 3.16Å; S21-D24 PolarHBondContact N-OD2 2.95Å; S21-D24 WeakPolarHBondContact O-CB 3.34Å; S21-D24 PolarHBondContact O-N 3Å; S21-D24 VanDerWaalsContact OG-CG 3.26Å; S21-D24 PolarHBondContact OG-N 3.19Å; S21-D24 VanDerWaalsContact OG-N 3.15Å; S21-D24 PolarHBondContact OG-OD2 3.26Å; D24-A26 PolarHBondContact O-N 3.12Å; D24-E27 PolarHBondContact O-N 3.41Å; D24-I28 WeakPolarHBondContact O-CG1 3.2Å; D24-I28 PolarHBondContact O-N 3.17Å; D24-R62 IonicContact OD1-CZ 3.93Å; D24-R62 IonicContact OD1-NE 3.17Å; D24-R62 PolarHBondContact OD1-NE 3.33Å; D24-R62 IonicContact OD1-NH2 3.18Å; D24-R62 PolarHBondContact OD1-NH2 2.99Å; D24-W63 HydrophobicContact CB-CH2 3.85Å; D24-W63 HydrophobicContact CB-CZ3 4.22Å
25	V	97.5	Very high	96.7	Very high	31 Å²	31	55.7 Å²	55.7	19%	0.188	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-46	179.4	-178.2	0	0	0	0	110.8	F20 S21 E27 I28 E29 Y70 L74	F20-V25 HydrophobicContact CB-CG2 4.12Å; S21-V25 WeakPolarHBondContact O-CG2 3.12Å; S21-V25 PolarHBondContact O-N 2.97Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 2.6Å; V25-I28 PolarHBondContact O-N 2.74Å; V25-E29 HydrophobicContact CG1-CG 4.44Å; V25-E29 WeakPolarHBondContact O-CG 3.21Å; V25-E29 PolarHBondContact O-N 2.73Å; V25-Y70 WeakPolarHBondContact CG2-OH 3.4Å; V25-L74 HydrophobicContact CG1-CD1 4.31Å; V25-L74 HydrophobicContact CG1-CD2 3.91Å
26	A	98	Very high	96.9	Very high	48 Å²	48	54.3 Å²	54.3	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-40	177.1	0	0	0	0	0	112.3	A22 G23 D24 E29 Q30	A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 2.62Å; G23-A26 PolarHBondContact O-N 3.15Å; D24-A26 PolarHBondContact O-N 3.12Å; A26-E29 PolarHBondContact O-N 2.82Å; A26-Q30 WeakPolarHBondContact O-CB 3.47Å; A26-Q30 VanDerWaalsContact O-CG 3.28Å; A26-Q30 WeakPolarHBondContact O-CG 3.35Å; A26-Q30 PolarHBondContact O-N 2.81Å
27	E	98.2	Very high	96.9	Very high	56 Å²	56	50.2 Å²	50.2	26%	0.262	30%	0.303	S	S	.	.	H	α-helix	trans	-66.3	-39.6	178.1	-170.5	173.9	167.8	0	0	112.3	G23 D24 V25 T31 L55 R62 W63	G23-E27 WeakPolarHBondContact O-CB 3.41Å; G23-E27 PolarHBondContact O-N 3Å; D24-E27 PolarHBondContact O-N 3.41Å; V25-E27 VanDerWaalsContact C-N 3.32Å; V25-E27 PolarHBondContact O-N 2.6Å; E27-T31 WeakPolarHBondContact O-CB 3.25Å; E27-T31 PolarHBondContact O-N 2.71Å; E27-T31 PolarHBondContact O-OG1 3.44Å; E27-L55 HydrophobicContact CG-CD2 4.11Å; E27-R62 IonicContact OE1-NH1 3.05Å; E27-R62 IonicContact OE2-CZ 2.65Å; E27-R62 VanDerWaalsContact OE2-CZ 3.23Å; E27-R62 IonicContact OE2-NH1 2.73Å; E27-R62 PolarHBondContact OE2-NH1 2.94Å; E27-R62 IonicContact OE2-NH2 3.64Å; E27-R62 PolarHBondContact OE2-NH2 3.04Å; E27-W63 HydrophobicContact CB-CH2 4.47Å; E27-W63 HydrophobicContact CB-CZ2 4.32Å; E27-W63 HydrophobicContact CG-CZ2 4.17Å
28	I	98.4	Very high	97	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-47.7	174	-60.4	161	0	0	0	110.2	F20 D24 V25 T31 I32 T51 L55 W63 L66 Y70 L74	F20-I28 HydrophobicContact CD2-CD1 4.25Å; F20-I28 HydrophobicContact CE2-CD1 4.09Å; F20-I28 HydrophobicContact CZ-CD1 4.48Å; D24-I28 WeakPolarHBondContact O-CG1 3.2Å; D24-I28 PolarHBondContact O-N 3.17Å; V25-I28 PolarHBondContact O-N 2.74Å; I28-T31 PolarHBondContact O-N 3.09Å; I28-I32 HydrophobicContact CG2-CD1 3.91Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 WeakPolarHBondContact O-CG1 3.37Å; I28-I32 PolarHBondContact O-N 2.91Å; I28-T51 HydrophobicContact CG2-CG2 4.14Å; I28-L55 HydrophobicContact CB-CD1 4.34Å; I28-L55 HydrophobicContact CG1-CD1 3.8Å; I28-L55 HydrophobicContact CG2-CD1 4.41Å; I28-W63 HydrophobicContact CD1-CH2 4.32Å; I28-W63 HydrophobicContact CD1-CZ3 3.77Å; I28-W63 HydrophobicContact CG1-CE3 4.49Å; I28-W63 HydrophobicContact CG1-CH2 3.97Å; I28-W63 HydrophobicContact CG1-CZ3 3.75Å; I28-L66 HydrophobicContact CD1-CD1 3.81Å; I28-L66 HydrophobicContact CG1-CD1 4.49Å; I28-L66 HydrophobicContact CG1-CD2 4.4Å; I28-Y70 HydrophobicContact CD1-CD1 4.27Å; I28-Y70 HydrophobicContact CD1-CE1 3.81Å; I28-L74 HydrophobicContact CB-CD1 3.91Å; I28-L74 HydrophobicContact CD1-CD1 4.31Å; I28-L74 HydrophobicContact CG2-CD1 3.57Å
29	E	98.5	Very high	97	Very high	26 Å²	26	51.2 Å²	51.2	12%	0.121	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-49.2	178.4	-72.7	-177.1	-176.5	0	0	111.5	V25 A26 T31 I32 L33 L74 L78 R81	V25-E29 HydrophobicContact CG1-CG 4.44Å; V25-E29 WeakPolarHBondContact O-CG 3.21Å; V25-E29 PolarHBondContact O-N 2.73Å; A26-E29 PolarHBondContact O-N 2.82Å; E29-T31 PolarHBondContact O-N 2.86Å; E29-I32 WeakPolarHBondContact O-CB 3.47Å; E29-I32 PolarHBondContact O-N 2.93Å; E29-L33 WeakPolarHBondContact O-CB 3.44Å; E29-L33 WeakPolarHBondContact O-CG 3.3Å; E29-L33 PolarHBondContact O-N 2.95Å; E29-L74 HydrophobicContact CG-CD1 4.31Å; E29-L78 HydrophobicContact CG-CD1 4.33Å; E29-L78 HydrophobicContact CG-CD2 4.39Å; E29-R81 IonicContact OE1-CZ 2.96Å; E29-R81 IonicContact OE1-NH1 2.72Å; E29-R81 IonicContact OE1-NH2 3.06Å; E29-R81 PolarHBondContact OE1-NH2 3.32Å; E29-R81 IonicContact OE2-CZ 2.62Å; E29-R81 IonicContact OE2-NH1 3.58Å; E29-R81 PolarHBondContact OE2-NH1 2.92Å; E29-R81 IonicContact OE2-NH2 2.95Å; E29-R81 PolarHBondContact OE2-NH2 3.02Å
30	Q	98.2	Very high	97.1	Very high	122 Å²	122	48.1 Å²	48.1	57%	0.57	30%	0.295	S	S	*	.	H	α-helix	trans	-59.4	-37.3	176.5	-71.4	-55.8	-43.1	0	0	112.2	A26 L33 S34	A26-Q30 WeakPolarHBondContact O-CB 3.47Å; A26-Q30 VanDerWaalsContact O-CG 3.28Å; A26-Q30 WeakPolarHBondContact O-CG 3.35Å; A26-Q30 PolarHBondContact O-N 2.81Å; Q30-L33 PolarHBondContact O-N 2.85Å; Q30-S34 PolarHBondContact O-N 3.25Å
31	T	98.5	Very high	97.2	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-68.3	-43.7	176.9	-56.8	0	0	0	0	111.6	E27 I28 E29 L33 S34 F35 T51 T54 L55	E27-T31 WeakPolarHBondContact O-CB 3.25Å; E27-T31 PolarHBondContact O-N 2.71Å; E27-T31 PolarHBondContact O-OG1 3.44Å; I28-T31 PolarHBondContact O-N 3.09Å; E29-T31 PolarHBondContact O-N 2.86Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 2.88Å; T31-S34 PolarHBondContact O-N 3.18Å; T31-S34 PolarHBondContact O-OG 3.27Å; T31-F35 HydrophobicContact CG2-CE2 3.9Å; T31-F35 WeakPolarHBondContact O-CD2 3.48Å; T31-T51 HydrophobicContact CG2-CG2 3.97Å; T31-T54 HydrophobicContact CG2-CG2 4.08Å; T31-L55 HydrophobicContact CG2-CD2 4.42Å; T31-L55 HydrophobicContact CG2-CG 4.21Å
32	I	98.6	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-55.5	-50.7	172.1	-70.9	163.1	0	0	0	110.1	I28 E29 S34 F35 V47 T51 L74 I75 L78 L84	I28-I32 HydrophobicContact CG2-CD1 3.91Å; I28-I32 HydrophobicContact CG2-CG1 4.45Å; I28-I32 WeakPolarHBondContact O-CG1 3.37Å; I28-I32 PolarHBondContact O-N 2.91Å; E29-I32 WeakPolarHBondContact O-CB 3.47Å; E29-I32 PolarHBondContact O-N 2.93Å; I32-S34 PolarHBondContact O-N 3.36Å; I32-S34 VanDerWaalsContact O-N 3.16Å; I32-F35 PolarHBondContact O-N 3.09Å; I32-F35 VanDerWaalsContact O-N 3.08Å; I32-V47 HydrophobicContact CG2-CG1 3.98Å; I32-T51 HydrophobicContact CG1-CG2 3.91Å; I32-L74 HydrophobicContact CD1-CB 4.06Å; I32-I75 HydrophobicContact CD1-CG1 4.05Å; I32-I75 HydrophobicContact CG1-CG1 4.46Å; I32-I75 HydrophobicContact CG2-CD1 4.36Å; I32-I75 HydrophobicContact CG2-CG1 3.78Å; I32-L78 HydrophobicContact CB-CD1 4.46Å; I32-L78 HydrophobicContact CG2-CD1 3.96Å; I32-L84 HydrophobicContact CG2-CD1 4.37Å
33	L	98	Very high	97.3	Very high	7 Å²	7	49 Å²	49	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-19.4	-177.7	-79.4	-169.7	0	0	0	113.8	E29 Q30 T31 L78 L84 R100	E29-L33 WeakPolarHBondContact O-CB 3.44Å; E29-L33 WeakPolarHBondContact O-CG 3.3Å; E29-L33 PolarHBondContact O-N 2.95Å; Q30-L33 PolarHBondContact O-N 2.85Å; T31-L33 VanDerWaalsContact C-N 3.31Å; T31-L33 PolarHBondContact O-N 2.88Å; L33-L78 HydrophobicContact CD2-CD1 4.15Å; L33-L78 HydrophobicContact CD2-CD2 4.42Å; L33-L78 HydrophobicContact CG-CD1 4.35Å; L33-L84 HydrophobicContact CD2-CD1 4.42Å; L33-L84 HydrophobicContact CD2-CD2 3.83Å; L33-L84 HydrophobicContact CD2-CG 4.07Å; L33-R100 VanDerWaalsContact CB-NH2 3.32Å; L33-R100 PolarHBondContact O-NH2 3.47Å
34	S	97.5	Very high	97.4	Very high	79 Å²	79	47 Å²	47	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-80.4	-17.5	175.9	78.9	0	0	0	0	114.1	Q30 T31 I32	Q30-S34 PolarHBondContact O-N 3.25Å; T31-S34 PolarHBondContact O-N 3.18Å; T31-S34 PolarHBondContact O-OG 3.27Å; I32-S34 PolarHBondContact O-N 3.36Å; I32-S34 VanDerWaalsContact O-N 3.16Å
35	F	97.9	Very high	97.4	Very high	63 Å²	63	47.8 Å²	47.8	28%	0.276	27%	0.266	S	S	.	.	S	Bend	trans	-93	-1.9	-179.3	-73	-63.1	0	0	0	114.6	T31 I32 V47 T54	T31-F35 HydrophobicContact CG2-CE2 3.9Å; T31-F35 WeakPolarHBondContact O-CD2 3.48Å; I32-F35 PolarHBondContact O-N 3.09Å; I32-F35 VanDerWaalsContact O-N 3.08Å; F35-V47 HydrophobicContact CB-CG1 4.16Å; F35-V47 HydrophobicContact CB-CG2 4.38Å; F35-T54 WeakPolarHBondContact CZ-OG1 3.5Å
36	V	97.1	Very high	97.4	Very high	11 Å²	11	51.6 Å²	51.6	7%	0.067	28%	0.283	C	S	.	.			trans	-127.1	132.5	-171.4	-68.1	0	0	0	0	110.9	R42 V47 L84 I98 R100	V36-R42 HydrophobicContact CG1-CB 4.36Å; V36-R42 HydrophobicContact CG1-CG 4.44Å; V36-V47 HydrophobicContact CG1-CG2 3.87Å; V36-L84 HydrophobicContact CB-CD2 4.49Å; V36-L84 HydrophobicContact CG2-CD2 3.63Å; V36-I98 HydrophobicContact CG1-CD1 3.89Å; V36-I98 HydrophobicContact CG1-CG1 4.02Å; V36-R100 HydrophobicContact CG2-CG 4.19Å; V36-R100 WeakPolarHBondContact O-CG 3.41Å
37	D	94.8	Very high	97.4	Very high	55 Å²	55	49.4 Å²	49.4	29%	0.294	27%	0.265	S	S	.	.			trans	-113.6	178.9	175	67.8	60.1	0	0	0	110.5	C39 H40 R42 K99 R100	D37-C39 WeakPolarHBondContact OD1-CA 3.43Å; D37-C39 WeakPolarHBondContact OD1-CB 3.26Å; D37-C39 PolarHBondContact OD1-N 2.94Å; D37-H40 PolarHBondContact OD1-N 3.43Å; D37-H40 IonicContact OD1-ND1 2.94Å; D37-H40 IonicContact OD2-ND1 3.23Å; D37-R42 IonicContact OD2-NH2 3.89Å; D37-R42 PolarHBondContact OD2-NH2 3.47Å; D37-K99 WeakPolarHBondContact O-CB 3.42Å; D37-R100 PolarHBondContact O-N 2.94Å
38	A	95.4	Very high	97.4	Very high	35 Å²	35	47 Å²	47	29%	0.289	25%	0.254	S	S	.	.	S	Bend	trans	-87.4	-20.2	-179.6	0	0	0	0	0	113.5	K99 R100	A38-K99 PolarHBondContact O-NZ 3.44Å; A38-R100 HydrophobicContact CB-CB 4.18Å
39	C	94.8	Very high	97.4	Very high	104 Å²	104	48.4 Å²	48.4	70%	0.703	27%	0.268	S	S	*	.	S	Bend	trans	-81.4	-40.9	-172.2	-64	0	0	0	0	111.8	D37	D37-C39 WeakPolarHBondContact OD1-CA 3.43Å; D37-C39 WeakPolarHBondContact OD1-CB 3.26Å; D37-C39 PolarHBondContact OD1-N 2.94Å
40	H	95.6	Very high	97.4	Very high	111 Å²	111	49 Å²	49	51%	0.514	28%	0.275	S	S	.	.	S	Bend	trans	-125.1	140	-172.1	-52.8	97.4	0	0	0	111.5	D37	D37-H40 PolarHBondContact OD1-N 3.43Å; D37-H40 IonicContact OD1-ND1 2.94Å; D37-H40 IonicContact OD2-ND1 3.23Å
41	T	97.1	Very high	97.4	Very high	52 Å²	52	43.2 Å²	43.2	32%	0.319	25%	0.248	S	C	.	.			trans	-73.3	152	166.8	56.7	0	0	0	0	110.8	Y87 E97 I98 K99	T41-Y87 HydrophobicContact CG2-CD2 3.77Å; T41-Y87 HydrophobicContact CG2-CE2 3.68Å; T41-E97 WeakPolarHBondContact CB-OE2 3.46Å; T41-E97 PolarHBondContact OG1-OE2 2.81Å; T41-I98 WeakPolarHBondContact CA-O 3.39Å; T41-K99 HydrophobicContact CG2-CB 4.34Å; T41-K99 HydrophobicContact CG2-CD 3.99Å; T41-K99 HydrophobicContact CG2-CG 4.45Å
42	R	97.8	Very high	97.4	Very high	82 Å²	82	44 Å²	44	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.2	173.6	-66.5	-70.6	-174	-93	-8	109.2	V36 D37 V44 V47 E97 I98	V36-R42 HydrophobicContact CG1-CB 4.36Å; V36-R42 HydrophobicContact CG1-CG 4.44Å; D37-R42 IonicContact OD2-NH2 3.89Å; D37-R42 PolarHBondContact OD2-NH2 3.47Å; R42-V44 PolarHBondContact O-N 3.42Å; R42-V47 HydrophobicContact CB-CG2 3.74Å; R42-E97 CarbonylContact O-C 3.5Å; R42-E97 WeakPolarHBondContact O-CA 3.17Å; R42-E97 WeakPolarHBondContact O-CB 3.41Å; R42-I98 PolarHBondContact N-O 3.1Å; R42-I98 PolarHBondContact O-N 3.39Å
43	K	97.7	Very high	97.3	Very high	79 Å²	79	48.7 Å²	48.7	34%	0.343	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	133.5	174.1	-73.1	-69.5	-176.8	-150.4	0	110.1	A45 M46 V47 S96 E97	K43-A45 VanDerWaalsContact C-N 3.26Å; K43-A45 PolarHBondContact O-N 3.27Å; K43-M46 HydrophobicContact CB-CB 4.11Å; K43-M46 WeakPolarHBondContact O-CB 3.49Å; K43-M46 PolarHBondContact O-N 3.4Å; K43-V47 PolarHBondContact O-N 3.17Å; K43-V47 VanDerWaalsContact O-N 3.08Å; K43-S96 WeakPolarHBondContact CA-O 3.44Å; K43-E97 HydrophobicContact CD-CG 3.75Å; K43-E97 VanDerWaalsContact CE-OE1 3.23Å; K43-E97 WeakPolarHBondContact CE-OE1 3.3Å; K43-E97 HydrophobicContact CG-CG 4.4Å; K43-E97 IonicContact NZ-OE1 3.32Å; K43-E97 PolarHBondContact NZ-OE1 3.16Å
44	V	97.9	Very high	97.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-43.3	178	172.5	0	0	0	0	110.3	R42 M46 V47 V48 I75 L90 M93 S96 I98	R42-V44 PolarHBondContact O-N 3.42Å; V44-M46 VanDerWaalsContact C-N 3.27Å; V44-M46 PolarHBondContact O-N 2.95Å; V44-V47 PolarHBondContact O-N 2.99Å; V44-V47 VanDerWaalsContact O-N 3.16Å; V44-V48 HydrophobicContact CG1-CG2 4.18Å; V44-V48 WeakPolarHBondContact O-CG2 3.34Å; V44-V48 PolarHBondContact O-N 3.37Å; V44-I75 HydrophobicContact CG1-CD1 3.88Å; V44-I75 HydrophobicContact CG1-CG2 4.49Å; V44-I75 HydrophobicContact CG2-CG2 4.48Å; V44-L90 HydrophobicContact CG2-CD2 4.1Å; V44-M93 HydrophobicContact CB-CB 4.27Å; V44-M93 HydrophobicContact CG1-CB 3.95Å; V44-M93 HydrophobicContact CG1-CG 3.69Å; V44-M93 HydrophobicContact CG1-SD 4.49Å; V44-S96 WeakPolarHBondContact CG2-OG 3.17Å; V44-S96 PolarHBondContact N-O 2.87Å; V44-I98 HydrophobicContact CG2-CG1 4.25Å; V44-I98 HydrophobicContact CG2-CG2 3.89Å
45	A	97.5	Very high	97.4	Very high	37 Å²	37	46.4 Å²	46.4	31%	0.306	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-37	176.4	0	0	0	0	0	113.4	K43 G49 M93 R94	K43-A45 VanDerWaalsContact C-N 3.26Å; K43-A45 PolarHBondContact O-N 3.27Å; A45-G49 PolarHBondContact O-N 2.95Å; A45-G49 VanDerWaalsContact O-N 3.07Å; A45-M93 HydrophobicContact CB-CB 4.02Å; A45-M93 PolarHBondContact N-O 3.47Å; A45-R94 HydrophobicContact CB-CG 4.04Å
46	M	97.8	Very high	97.3	Very high	111 Å²	111	47.1 Å²	47.1	55%	0.547	26%	0.263	S	S	.	.	H	α-helix	trans	-68.5	-47.3	176.6	176.8	-173.7	-78	0	0	110.8	K43 V44 V48 G49 S50	K43-M46 HydrophobicContact CB-CB 4.11Å; K43-M46 WeakPolarHBondContact O-CB 3.49Å; K43-M46 PolarHBondContact O-N 3.4Å; V44-M46 VanDerWaalsContact C-N 3.27Å; V44-M46 PolarHBondContact O-N 2.95Å; M46-V48 PolarHBondContact O-N 2.93Å; M46-G49 PolarHBondContact O-N 3.27Å; M46-S50 WeakPolarHBondContact O-CB 3.38Å; M46-S50 PolarHBondContact O-N 3.24Å; M46-S50 PolarHBondContact O-OG 3.47Å; M46-S50 VanDerWaalsContact O-OG 3.1Å
47	V	98.4	Very high	97.3	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-45.8	179.9	176.9	0	0	0	0	110.6	I32 F35 V36 R42 K43 V44 G49 S50 T51 I75 I98	I32-V47 HydrophobicContact CG2-CG1 3.98Å; F35-V47 HydrophobicContact CB-CG1 4.16Å; F35-V47 HydrophobicContact CB-CG2 4.38Å; V36-V47 HydrophobicContact CG1-CG2 3.87Å; R42-V47 HydrophobicContact CB-CG2 3.74Å; K43-V47 PolarHBondContact O-N 3.17Å; K43-V47 VanDerWaalsContact O-N 3.08Å; V44-V47 PolarHBondContact O-N 2.99Å; V44-V47 VanDerWaalsContact O-N 3.16Å; V47-G49 PolarHBondContact O-N 3.39Å; V47-S50 PolarHBondContact O-N 3.01Å; V47-T51 WeakPolarHBondContact O-CB 3.31Å; V47-T51 PolarHBondContact O-N 3.47Å; V47-T51 PolarHBondContact O-OG1 3.05Å; V47-I75 HydrophobicContact CG1-CD1 4.25Å; V47-I98 HydrophobicContact CB-CD1 4.22Å; V47-I98 HydrophobicContact CG1-CD1 4.12Å; V47-I98 HydrophobicContact CG2-CD1 4.05Å; V47-I98 HydrophobicContact CG2-CG1 4.31Å
48	V	98.1	Very high	97.4	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.03	31%	0.31	C	S	.	.	H	α-helix	trans	-57.5	-50.1	176.2	169.8	0	0	0	0	111.6	V44 M46 S50 T51 I52 D68 C71 A72 I75 M93	V44-V48 HydrophobicContact CG1-CG2 4.18Å; V44-V48 WeakPolarHBondContact O-CG2 3.34Å; V44-V48 PolarHBondContact O-N 3.37Å; M46-V48 PolarHBondContact O-N 2.93Å; V48-S50 PolarHBondContact O-N 3.05Å; V48-T51 PolarHBondContact O-N 2.94Å; V48-I52 HydrophobicContact CG1-CD1 3.88Å; V48-I52 WeakPolarHBondContact O-CG1 3.48Å; V48-I52 PolarHBondContact O-N 2.75Å; V48-D68 HydrophobicContact CG1-CB 3.65Å; V48-C71 HydrophobicContact CB-CB 4.41Å; V48-C71 HydrophobicContact CG1-CB 3.92Å; V48-C71 HydrophobicContact CG2-CB 4.01Å; V48-A72 HydrophobicContact CG2-CB 4.47Å; V48-I75 HydrophobicContact CG2-CD1 3.65Å; V48-M93 HydrophobicContact CB-SD 4.33Å; V48-M93 HydrophobicContact CG1-SD 4.3Å; V48-M93 HydrophobicContact CG2-SD 3.93Å
49	G	97.8	Very high	97.4	Very high	29 Å²	29	59.6 Å²	59.6	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-45.5	178.5	0	0	0	0	0	112.8	A45 M46 V47 I52 N53	A45-G49 PolarHBondContact O-N 2.95Å; A45-G49 VanDerWaalsContact O-N 3.07Å; M46-G49 PolarHBondContact O-N 3.27Å; V47-G49 PolarHBondContact O-N 3.39Å; G49-I52 PolarHBondContact O-N 2.67Å; G49-N53 WeakPolarHBondContact O-CB 3.43Å; G49-N53 VanDerWaalsContact O-CG 3.29Å; G49-N53 PolarHBondContact O-N 3.04Å; G49-N53 PolarHBondContact O-ND2 3.1Å
50	S	98.1	Very high	97.5	Very high	40 Å²	40	56.7 Å²	56.7	28%	0.28	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-39.6	178.3	-64.1	0	0	0	0	112.7	M46 V47 V48 T54	M46-S50 WeakPolarHBondContact O-CB 3.38Å; M46-S50 PolarHBondContact O-N 3.24Å; M46-S50 PolarHBondContact O-OG 3.47Å; M46-S50 VanDerWaalsContact O-OG 3.1Å; V47-S50 PolarHBondContact O-N 3.01Å; V48-S50 PolarHBondContact O-N 3.05Å; S50-T54 VanDerWaalsContact O-CB 3.28Å; S50-T54 WeakPolarHBondContact O-CB 3.36Å; S50-T54 PolarHBondContact O-N 3.07Å; S50-T54 PolarHBondContact O-OG1 3.04Å
51	T	98.5	Very high	97.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-51	175	-66.1	0	0	0	0	111.3	I28 T31 I32 V47 V48 N53 T54 L55	I28-T51 HydrophobicContact CG2-CG2 4.14Å; T31-T51 HydrophobicContact CG2-CG2 3.97Å; I32-T51 HydrophobicContact CG1-CG2 3.91Å; V47-T51 WeakPolarHBondContact O-CB 3.31Å; V47-T51 PolarHBondContact O-N 3.47Å; V47-T51 PolarHBondContact O-OG1 3.05Å; V48-T51 PolarHBondContact O-N 2.94Å; T51-N53 PolarHBondContact O-N 2.87Å; T51-T54 PolarHBondContact O-N 3.43Å; T51-L55 HydrophobicContact CG2-CD1 3.85Å; T51-L55 WeakPolarHBondContact O-CB 3.5Å; T51-L55 WeakPolarHBondContact O-CG 3.43Å; T51-L55 PolarHBondContact O-N 2.84Å
52	I	98.2	Very high	97.3	Very high	19 Å²	19	63.3 Å²	63.3	10%	0.097	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-46.8	-179	-67.8	169.2	0	0	0	110.7	V48 G49 L55 K56 L66 D68	V48-I52 HydrophobicContact CG1-CD1 3.88Å; V48-I52 WeakPolarHBondContact O-CG1 3.48Å; V48-I52 PolarHBondContact O-N 2.75Å; G49-I52 PolarHBondContact O-N 2.67Å; I52-L55 PolarHBondContact O-N 3.49Å; I52-K56 HydrophobicContact CG2-CD 3.78Å; I52-K56 HydrophobicContact CG2-CG 4.31Å; I52-K56 WeakPolarHBondContact O-CB 3.33Å; I52-K56 VanDerWaalsContact O-CG 3.31Å; I52-K56 WeakPolarHBondContact O-CG 3.33Å; I52-K56 PolarHBondContact O-N 3Å; I52-L66 HydrophobicContact CG1-CD2 4.1Å; I52-L66 HydrophobicContact CG1-CG 4.26Å; I52-D68 HydrophobicContact CD1-CB 3.85Å
53	N	97.7	Very high	97.2	Very high	100 Å²	100	59.4 Å²	59.4	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-47.8	179.4	-70.9	-15.1	0	0	0	111.3	G49 T51 L55 K56 D57	G49-N53 WeakPolarHBondContact O-CB 3.43Å; G49-N53 VanDerWaalsContact O-CG 3.29Å; G49-N53 PolarHBondContact O-N 3.04Å; G49-N53 PolarHBondContact O-ND2 3.1Å; T51-N53 PolarHBondContact O-N 2.87Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 3.11Å; N53-K56 PolarHBondContact O-N 2.9Å; N53-D57 WeakPolarHBondContact O-CB 3.45Å; N53-D57 PolarHBondContact O-N 3.03Å
54	T	98.2	Very high	96.9	Very high	38 Å²	38	57 Å²	57	23%	0.233	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-40	-179.2	-63.7	0	0	0	0	112.6	T31 F35 S50 T51 R58	T31-T54 HydrophobicContact CG2-CG2 4.08Å; F35-T54 WeakPolarHBondContact CZ-OG1 3.5Å; S50-T54 VanDerWaalsContact O-CB 3.28Å; S50-T54 WeakPolarHBondContact O-CB 3.36Å; S50-T54 PolarHBondContact O-N 3.07Å; S50-T54 PolarHBondContact O-OG1 3.04Å; T51-T54 PolarHBondContact O-N 3.43Å; T54-R58 WeakPolarHBondContact O-CG 3.42Å; T54-R58 PolarHBondContact O-N 3.16Å
55	L	98.2	Very high	96.5	Very high	0 Å²	0	64 Å²	64	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-69.3	-46.4	176.5	-70.9	173.5	0	0	0	111	E27 I28 T31 T51 I52 N53 D57 R58 D59 W63 L66	E27-L55 HydrophobicContact CG-CD2 4.11Å; I28-L55 HydrophobicContact CB-CD1 4.34Å; I28-L55 HydrophobicContact CG1-CD1 3.8Å; I28-L55 HydrophobicContact CG2-CD1 4.41Å; T31-L55 HydrophobicContact CG2-CD2 4.42Å; T31-L55 HydrophobicContact CG2-CG 4.21Å; T51-L55 HydrophobicContact CG2-CD1 3.85Å; T51-L55 WeakPolarHBondContact O-CB 3.5Å; T51-L55 WeakPolarHBondContact O-CG 3.43Å; T51-L55 PolarHBondContact O-N 2.84Å; I52-L55 PolarHBondContact O-N 3.49Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 3.11Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 3.33Å; L55-R58 WeakPolarHBondContact O-CB 3.38Å; L55-R58 PolarHBondContact O-N 3.25Å; L55-R58 VanDerWaalsContact O-N 3.09Å; L55-D59 PolarHBondContact O-N 2.98Å; L55-W63 HydrophobicContact CB-CB 3.97Å; L55-W63 HydrophobicContact CB-CD2 4.04Å; L55-W63 HydrophobicContact CB-CG 3.65Å; L55-W63 HydrophobicContact CD1-CD2 4.37Å; L55-W63 HydrophobicContact CD1-CE3 4.45Å; L55-W63 HydrophobicContact CD2-CD2 4.45Å; L55-W63 HydrophobicContact CD2-CZ2 4.22Å; L55-L66 HydrophobicContact CD1-CD2 3.53Å
56	K	97.1	Very high	96.5	Very high	77 Å²	77	62.6 Å²	62.6	34%	0.335	33%	0.328	S	S	.	.	H	α-helix	trans	-61	-36.7	177.3	-75.5	-178	176.7	-174.2	0	113	I52 N53 R58 D59 G60 W63 G64	I52-K56 HydrophobicContact CG2-CD 3.78Å; I52-K56 HydrophobicContact CG2-CG 4.31Å; I52-K56 WeakPolarHBondContact O-CB 3.33Å; I52-K56 VanDerWaalsContact O-CG 3.31Å; I52-K56 WeakPolarHBondContact O-CG 3.33Å; I52-K56 PolarHBondContact O-N 3Å; N53-K56 PolarHBondContact O-N 2.9Å; K56-R58 VanDerWaalsContact C-N 3.3Å; K56-R58 PolarHBondContact O-N 3.49Å; K56-D59 CarbonylContact O-C 3.47Å; K56-G60 WeakPolarHBondContact O-CA 3.48Å; K56-G60 PolarHBondContact O-N 3.43Å; K56-W63 WeakPolarHBondContact CE-O 3.26Å; K56-W63 HydrophobicContact CG-CB 4.1Å; K56-W63 WeakPolarHBondContact CG-O 3.24Å; K56-G64 WeakPolarHBondContact CE-O 3.39Å; K56-G64 PolarHBondContact NZ-O 3.26Å
57	D	97	Very high	96.4	Very high	141 Å²	141	58.9 Å²	58.9	75%	0.754	31%	0.313	S	S	*	.	H	α-helix	trans	-66.9	-32.2	176.1	-70.8	-17	0	0	0	112.1	N53 L55	N53-D57 WeakPolarHBondContact O-CB 3.45Å; N53-D57 PolarHBondContact O-N 3.03Å; L55-D57 VanDerWaalsContact C-N 3.3Å; L55-D57 PolarHBondContact O-N 3.33Å
58	R	96.4	Very high	96.3	Very high	159 Å²	159	62.6 Å²	62.6	60%	0.6	33%	0.332	S	S	*	.	H	α-helix	trans	-76.5	-45.1	176.2	-72	173.9	-175.4	173.9	4.7	112.7	T54 L55 K56	T54-R58 WeakPolarHBondContact O-CG 3.42Å; T54-R58 PolarHBondContact O-N 3.16Å; L55-R58 WeakPolarHBondContact O-CB 3.38Å; L55-R58 PolarHBondContact O-N 3.25Å; L55-R58 VanDerWaalsContact O-N 3.09Å; K56-R58 VanDerWaalsContact C-N 3.3Å; K56-R58 PolarHBondContact O-N 3.49Å
59	D	96.3	Very high	96.2	Very high	64 Å²	64	63.9 Å²	63.9	34%	0.342	34%	0.339	S	S	.	.			trans	-152.3	85.4	179.7	-173.4	-15.4	0	0	0	111	L55 K56 K61 R62 W63	L55-D59 PolarHBondContact O-N 2.98Å; K56-D59 CarbonylContact O-C 3.47Å; D59-K61 PolarHBondContact O-N 3.02Å; D59-K61 PolarHBondContact OD1-N 3.34Å; D59-K61 VanDerWaalsContact OD1-N 3.12Å; D59-R62 HydrophobicContact CB-CB 4.11Å; D59-R62 VanDerWaalsContact CG-CB 3.41Å; D59-R62 PolarHBondContact O-N 2.87Å; D59-R62 PolarHBondContact OD1-N 3.46Å; D59-R62 VanDerWaalsContact OD2-CB 3.3Å; D59-R62 WeakPolarHBondContact OD2-CB 3.47Å; D59-W63 WeakPolarHBondContact O-CB 3.38Å; D59-W63 PolarHBondContact O-N 3.48Å
60	G	95.6	Very high	96.1	Very high	43 Å²	43	63 Å²	63	44%	0.443	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-22.7	-179.4	0	0	0	0	0	113.9	K56 G64	K56-G60 WeakPolarHBondContact O-CA 3.48Å; K56-G60 PolarHBondContact O-N 3.43Å; G60-G64 WeakPolarHBondContact O-CA 3.36Å; G60-G64 PolarHBondContact O-N 3.35Å
61	K	94.2	Very high	96.1	Very high	205 Å²	205	61.1 Å²	61.1	89%	0.891	31%	0.313	S	S	*	.	H	α-helix	trans	-75.1	-43.7	177.9	-174.3	-178.9	178.5	-176.6	0	110.8	D59	D59-K61 PolarHBondContact O-N 3.02Å; D59-K61 PolarHBondContact OD1-N 3.34Å; D59-K61 VanDerWaalsContact OD1-N 3.12Å
62	R	94.6	Very high	96	Very high	96 Å²	96	61.2 Å²	61.2	36%	0.362	31%	0.314	S	S	.	.	H	α-helix	trans	-73.5	-41.2	178.6	-174.9	173.2	172.2	-148.3	-5.9	112.1	D24 E27 D59	D24-R62 IonicContact OD1-CZ 3.93Å; D24-R62 IonicContact OD1-NE 3.17Å; D24-R62 PolarHBondContact OD1-NE 3.33Å; D24-R62 IonicContact OD1-NH2 3.18Å; D24-R62 PolarHBondContact OD1-NH2 2.99Å; E27-R62 IonicContact OE1-NH1 3.05Å; E27-R62 IonicContact OE2-CZ 2.65Å; E27-R62 VanDerWaalsContact OE2-CZ 3.23Å; E27-R62 IonicContact OE2-NH1 2.73Å; E27-R62 PolarHBondContact OE2-NH1 2.94Å; E27-R62 IonicContact OE2-NH2 3.64Å; E27-R62 PolarHBondContact OE2-NH2 3.04Å; D59-R62 HydrophobicContact CB-CB 4.11Å; D59-R62 VanDerWaalsContact CG-CB 3.41Å; D59-R62 PolarHBondContact O-N 2.87Å; D59-R62 PolarHBondContact OD1-N 3.46Å; D59-R62 VanDerWaalsContact OD2-CB 3.3Å; D59-R62 WeakPolarHBondContact OD2-CB 3.47Å
63	W	96.4	Very high	96	Very high	1 Å²	1	64.1 Å²	64.1	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-102.4	1.9	-171.2	-54.6	116.3	0	0	0	114.7	F20 D24 E27 I28 L55 K56 D59 N65 L66	F20-W63 HydrophobicContact CD1-CZ3 4.39Å; F20-W63 HydrophobicContact CE1-CE3 4.32Å; F20-W63 AromaticContact CE1-CZ3 3.98Å; F20-W63 HydrophobicContact CE1-CZ3 3.98Å; F20-W63 HydrophobicContact CZ-CZ3 4.38Å; D24-W63 HydrophobicContact CB-CH2 3.85Å; D24-W63 HydrophobicContact CB-CZ3 4.22Å; E27-W63 HydrophobicContact CB-CH2 4.47Å; E27-W63 HydrophobicContact CB-CZ2 4.32Å; E27-W63 HydrophobicContact CG-CZ2 4.17Å; I28-W63 HydrophobicContact CD1-CH2 4.32Å; I28-W63 HydrophobicContact CD1-CZ3 3.77Å; I28-W63 HydrophobicContact CG1-CE3 4.49Å; I28-W63 HydrophobicContact CG1-CH2 3.97Å; I28-W63 HydrophobicContact CG1-CZ3 3.75Å; L55-W63 HydrophobicContact CB-CB 3.97Å; L55-W63 HydrophobicContact CB-CD2 4.04Å; L55-W63 HydrophobicContact CB-CG 3.65Å; L55-W63 HydrophobicContact CD1-CD2 4.37Å; L55-W63 HydrophobicContact CD1-CE3 4.45Å; L55-W63 HydrophobicContact CD2-CD2 4.45Å; L55-W63 HydrophobicContact CD2-CZ2 4.22Å; K56-W63 WeakPolarHBondContact CE-O 3.26Å; K56-W63 HydrophobicContact CG-CB 4.1Å; K56-W63 WeakPolarHBondContact CG-O 3.24Å; D59-W63 WeakPolarHBondContact O-CB 3.38Å; D59-W63 PolarHBondContact O-N 3.48Å; W63-N65 PolarHBondContact O-N 3Å; W63-N65 VanDerWaalsContact O-N 3.11Å; W63-L66 HydrophobicContact CE3-CD2 4.4Å; W63-L66 WeakPolarHBondContact O-CB 3.44Å; W63-L66 PolarHBondContact O-N 3.1Å; W63-L66 VanDerWaalsContact O-N 3.08Å
64	G	91.1	Very high	96	Very high	29 Å²	29	59.6 Å²	59.6	30%	0.299	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-36	-177	0	0	0	0	0	114	K56 G60	K56-G64 WeakPolarHBondContact CE-O 3.39Å; K56-G64 PolarHBondContact NZ-O 3.26Å; G60-G64 WeakPolarHBondContact O-CA 3.36Å; G60-G64 PolarHBondContact O-N 3.35Å
65	N	90.1	Very high	96	Very high	149 Å²	149	57.8 Å²	57.8	80%	0.797	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	14	-177.4	-65.6	-22.5	0	0	0	114.2	W63 P67	W63-N65 PolarHBondContact O-N 3Å; W63-N65 VanDerWaalsContact O-N 3.11Å; N65-P67 WeakPolarHBondContact O-CD 3.44Å; N65-P67 VanDerWaalsContact O-N 3.15Å
66	L	96	Very high	95.9	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.037	30%	0.297	C	S	.	.			trans	-63.3	112.7	177.9	177.9	59.3	0	0	0	110.5	F20 I28 I52 L55 W63 Y70	F20-L66 HydrophobicContact CE2-CD1 3.76Å; F20-L66 HydrophobicContact CZ-CD1 3.76Å; I28-L66 HydrophobicContact CD1-CD1 3.81Å; I28-L66 HydrophobicContact CG1-CD1 4.49Å; I28-L66 HydrophobicContact CG1-CD2 4.4Å; I52-L66 HydrophobicContact CG1-CD2 4.1Å; I52-L66 HydrophobicContact CG1-CG 4.26Å; L55-L66 HydrophobicContact CD1-CD2 3.53Å; W63-L66 HydrophobicContact CE3-CD2 4.4Å; W63-L66 WeakPolarHBondContact O-CB 3.44Å; W63-L66 PolarHBondContact O-N 3.1Å; W63-L66 VanDerWaalsContact O-N 3.08Å; L66-Y70 HydrophobicContact CD1-CD1 3.91Å
67	P	96.1	Very high	96	Very high	33 Å²	33	57.6 Å²	57.6	21%	0.214	29%	0.291	C	S	.	.			trans	-77.5	141.1	-179	-13.2	30.5	0	0	0	111.3	L18 N65 I69 Y70 C71	L18-P67 HydrophobicContact CD2-CG 3.71Å; N65-P67 WeakPolarHBondContact O-CD 3.44Å; N65-P67 VanDerWaalsContact O-N 3.15Å; P67-I69 VanDerWaalsContact C-N 3.3Å; P67-I69 HydrophobicContact CB-CG1 3.78Å; P67-I69 PolarHBondContact O-N 3.47Å; P67-Y70 WeakPolarHBondContact O-CB 3.35Å; P67-Y70 PolarHBondContact O-N 2.99Å; P67-Y70 VanDerWaalsContact O-N 3.13Å; P67-C71 PolarHBondContact O-N 3.36Å
68	D	96.3	Very high	96	Very high	79 Å²	79	50.9 Å²	50.9	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-59.2	-40	172.6	61.5	-17.5	0	0	0	112.8	V48 I52 Y70 C71 A72	V48-D68 HydrophobicContact CG1-CB 3.65Å; I52-D68 HydrophobicContact CD1-CB 3.85Å; D68-Y70 PolarHBondContact O-N 2.86Å; D68-C71 WeakPolarHBondContact O-CB 3.28Å; D68-C71 PolarHBondContact O-N 3.37Å; D68-A72 PolarHBondContact O-N 2.96Å
69	I	95.4	Very high	96.1	Very high	33 Å²	33	45 Å²	45	17%	0.169	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-30.5	175.4	59	170	0	0	0	113	P8 I10 P67 Y73	P8-I69 HydrophobicContact CG-CG2 4.16Å; I10-I69 HydrophobicContact CB-CD1 4.07Å; I10-I69 HydrophobicContact CB-CG1 4.35Å; I10-I69 HydrophobicContact CD1-CD1 4.19Å; I10-I69 HydrophobicContact CD1-CG1 4.21Å; I10-I69 HydrophobicContact CG1-CD1 4.11Å; P67-I69 VanDerWaalsContact C-N 3.3Å; P67-I69 HydrophobicContact CB-CG1 3.78Å; P67-I69 PolarHBondContact O-N 3.47Å; I69-Y73 WeakPolarHBondContact O-CB 3.36Å; I69-Y73 PolarHBondContact O-N 3.3Å
70	Y	97.2	Very high	96.1	Very high	10 Å²	10	51 Å²	51	4%	0.039	26%	0.26	C	S	.	.	H	α-helix	trans	-75.5	-42.7	175.7	-176.4	-106.5	0	0	0	111.1	I10 I15 L18 F20 V25 I28 L66 P67 D68 A72 Y73 L74	I10-Y70 HydrophobicContact CD1-CD2 3.91Å; I10-Y70 HydrophobicContact CD1-CG 4.39Å; I15-Y70 HydrophobicContact CG1-CD2 4.18Å; I15-Y70 HydrophobicContact CG1-CE2 4.16Å; I15-Y70 HydrophobicContact CG2-CE2 4.05Å; L18-Y70 HydrophobicContact CD1-CD1 4.08Å; L18-Y70 HydrophobicContact CD1-CD2 3.43Å; L18-Y70 VanDerWaalsContact CD1-CD2 3.43Å; L18-Y70 HydrophobicContact CD1-CE1 4.46Å; L18-Y70 HydrophobicContact CD1-CE2 3.89Å; L18-Y70 HydrophobicContact CD1-CG 3.53Å; F20-Y70 HydrophobicContact CD2-CD1 4Å; F20-Y70 AromaticContact CD2-CE1 3.42Å; F20-Y70 HydrophobicContact CD2-CE1 3.42Å; F20-Y70 VanDerWaalsContact CD2-CE1 3.42Å; F20-Y70 AromaticContact CD2-CZ 3.8Å; F20-Y70 AromaticContact CE2-CD1 3.68Å; F20-Y70 HydrophobicContact CE2-CD1 3.68Å; F20-Y70 AromaticContact CE2-CE1 3.58Å; F20-Y70 HydrophobicContact CE2-CE1 3.58Å; F20-Y70 HydrophobicContact CE2-CG 4.47Å; V25-Y70 WeakPolarHBondContact CG2-OH 3.4Å; I28-Y70 HydrophobicContact CD1-CD1 4.27Å; I28-Y70 HydrophobicContact CD1-CE1 3.81Å; L66-Y70 HydrophobicContact CD1-CD1 3.91Å; P67-Y70 WeakPolarHBondContact O-CB 3.35Å; P67-Y70 PolarHBondContact O-N 2.99Å; P67-Y70 VanDerWaalsContact O-N 3.13Å; D68-Y70 PolarHBondContact O-N 2.86Å; Y70-A72 VanDerWaalsContact C-N 3.3Å; Y70-A72 PolarHBondContact O-N 2.77Å; Y70-Y73 HydrophobicContact CD2-CD1 4.18Å; Y70-Y73 HydrophobicContact CE2-CD1 4.07Å; Y70-Y73 HydrophobicContact CE2-CE1 4.43Å; Y70-Y73 WeakPolarHBondContact O-CB 3.47Å; Y70-Y73 PolarHBondContact O-N 2.9Å; Y70-Y73 VanDerWaalsContact O-N 3.16Å; Y70-L74 HydrophobicContact CD1-CD1 4.14Å; Y70-L74 HydrophobicContact CD1-CG 4.45Å; Y70-L74 HydrophobicContact CE1-CD1 3.59Å; Y70-L74 HydrophobicContact CE1-CD2 4.49Å; Y70-L74 HydrophobicContact CE1-CG 4.04Å; Y70-L74 PolarHBondContact O-N 3.43Å
71	C	97.2	Very high	96.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59	-42.7	171.8	-68.8	0	0	0	0	111.6	V48 P67 D68 Y73 L74 I75	V48-C71 HydrophobicContact CB-CB 4.41Å; V48-C71 HydrophobicContact CG1-CB 3.92Å; V48-C71 HydrophobicContact CG2-CB 4.01Å; P67-C71 PolarHBondContact O-N 3.36Å; D68-C71 WeakPolarHBondContact O-CB 3.28Å; D68-C71 PolarHBondContact O-N 3.37Å; C71-Y73 VanDerWaalsContact C-N 3.32Å; C71-Y73 PolarHBondContact O-N 3.43Å; C71-L74 PolarHBondContact O-N 3.19Å; C71-I75 WeakPolarHBondContact O-CG1 3.32Å; C71-I75 PolarHBondContact O-N 2.9Å
72	A	97	Very high	96.3	Very high	3 Å²	3	47 Å²	47	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-38.5	175.2	0	0	0	0	0	112.2	V48 D68 Y70 I75 R76 M93	V48-A72 HydrophobicContact CG2-CB 4.47Å; D68-A72 PolarHBondContact O-N 2.96Å; Y70-A72 VanDerWaalsContact C-N 3.3Å; Y70-A72 PolarHBondContact O-N 2.77Å; A72-I75 PolarHBondContact O-N 3.36Å; A72-R76 WeakPolarHBondContact O-CG 3.42Å; A72-R76 PolarHBondContact O-N 2.95Å; A72-R76 VanDerWaalsContact O-N 3.1Å; A72-R76 PolarHBondContact O-NH1 3.39Å; A72-M93 HydrophobicContact CB-CG 3.99Å; A72-M93 HydrophobicContact CB-SD 3.65Å
73	Y	97.4	Very high	96.4	Very high	80 Å²	80	45.3 Å²	45.3	31%	0.314	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-48.4	172.1	167	-100.2	0	0	0	112.1	I10 I15 I69 Y70 C71 I75 R76 C77	I10-Y73 HydrophobicContact CG2-CD2 4.09Å; I10-Y73 HydrophobicContact CG2-CG 3.87Å; I15-Y73 HydrophobicContact CD1-CD1 4.09Å; I15-Y73 HydrophobicContact CD1-CD2 4.38Å; I15-Y73 HydrophobicContact CD1-CE1 3.73Å; I15-Y73 HydrophobicContact CD1-CE2 4.05Å; I15-Y73 HydrophobicContact CD1-CG 4.4Å; I69-Y73 WeakPolarHBondContact O-CB 3.36Å; I69-Y73 PolarHBondContact O-N 3.3Å; Y70-Y73 HydrophobicContact CD2-CD1 4.18Å; Y70-Y73 HydrophobicContact CE2-CD1 4.07Å; Y70-Y73 HydrophobicContact CE2-CE1 4.43Å; Y70-Y73 WeakPolarHBondContact O-CB 3.47Å; Y70-Y73 PolarHBondContact O-N 2.9Å; Y70-Y73 VanDerWaalsContact O-N 3.16Å; C71-Y73 VanDerWaalsContact C-N 3.32Å; C71-Y73 PolarHBondContact O-N 3.43Å; Y73-I75 VanDerWaalsContact C-N 3.31Å; Y73-I75 PolarHBondContact O-N 3.27Å; Y73-R76 WeakPolarHBondContact O-CA 3.45Å; Y73-R76 WeakPolarHBondContact O-CB 3.37Å; Y73-R76 PolarHBondContact O-N 2.85Å; Y73-C77 PolarHBondContact O-N 3.18Å; Y73-C77 PolarHBondContact O-SG 2.97Å; Y73-C77 VanDerWaalsContact O-SG 3.4Å
74	L	98	Very high	96.5	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-37.7	177.2	-68.2	-179	0	0	0	112.5	V25 I28 E29 I32 Y70 C71 R76 C77 L78	V25-L74 HydrophobicContact CG1-CD1 4.31Å; V25-L74 HydrophobicContact CG1-CD2 3.91Å; I28-L74 HydrophobicContact CB-CD1 3.91Å; I28-L74 HydrophobicContact CD1-CD1 4.31Å; I28-L74 HydrophobicContact CG2-CD1 3.57Å; E29-L74 HydrophobicContact CG-CD1 4.31Å; I32-L74 HydrophobicContact CD1-CB 4.06Å; Y70-L74 HydrophobicContact CD1-CD1 4.14Å; Y70-L74 HydrophobicContact CD1-CG 4.45Å; Y70-L74 HydrophobicContact CE1-CD1 3.59Å; Y70-L74 HydrophobicContact CE1-CD2 4.49Å; Y70-L74 HydrophobicContact CE1-CG 4.04Å; Y70-L74 PolarHBondContact O-N 3.43Å; C71-L74 PolarHBondContact O-N 3.19Å; L74-R76 VanDerWaalsContact C-N 3.32Å; L74-R76 PolarHBondContact O-N 2.87Å; L74-C77 WeakPolarHBondContact O-CB 3.38Å; L74-C77 PolarHBondContact O-N 3Å; L74-C77 VanDerWaalsContact O-N 3.17Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.45Å
75	I	98.3	Very high	96.9	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-58	-45	172.1	-72.2	170.1	0	0	0	110.9	I32 V44 V47 V48 C71 A72 Y73 C77 L78 V79 L84 I98	I32-I75 HydrophobicContact CD1-CG1 4.05Å; I32-I75 HydrophobicContact CG1-CG1 4.46Å; I32-I75 HydrophobicContact CG2-CD1 4.36Å; I32-I75 HydrophobicContact CG2-CG1 3.78Å; V44-I75 HydrophobicContact CG1-CD1 3.88Å; V44-I75 HydrophobicContact CG1-CG2 4.49Å; V44-I75 HydrophobicContact CG2-CG2 4.48Å; V47-I75 HydrophobicContact CG1-CD1 4.25Å; V48-I75 HydrophobicContact CG2-CD1 3.65Å; C71-I75 WeakPolarHBondContact O-CG1 3.32Å; C71-I75 PolarHBondContact O-N 2.9Å; A72-I75 PolarHBondContact O-N 3.36Å; Y73-I75 VanDerWaalsContact C-N 3.31Å; Y73-I75 PolarHBondContact O-N 3.27Å; I75-C77 VanDerWaalsContact C-N 3.34Å; I75-C77 PolarHBondContact O-N 3.34Å; I75-L78 PolarHBondContact O-N 2.87Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 2.93Å; I75-L84 HydrophobicContact CG2-CD1 4.45Å; I75-I98 HydrophobicContact CD1-CD1 4.06Å; I75-I98 HydrophobicContact CG1-CD1 4.25Å; I75-I98 HydrophobicContact CG2-CD1 3.94Å; I75-I98 HydrophobicContact CG2-CG2 3.81Å
76	R	97.3	Very high	97.2	Very high	41 Å²	41	40.6 Å²	40.6	16%	0.155	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-40.1	175.8	-66.9	-171	-58.2	-87.5	3.6	111.8	A72 Y73 L74 V79 F80 L90	A72-R76 WeakPolarHBondContact O-CG 3.42Å; A72-R76 PolarHBondContact O-N 2.95Å; A72-R76 VanDerWaalsContact O-N 3.1Å; A72-R76 PolarHBondContact O-NH1 3.39Å; Y73-R76 WeakPolarHBondContact O-CA 3.45Å; Y73-R76 WeakPolarHBondContact O-CB 3.37Å; Y73-R76 PolarHBondContact O-N 2.85Å; L74-R76 VanDerWaalsContact C-N 3.32Å; L74-R76 PolarHBondContact O-N 2.87Å; R76-V79 PolarHBondContact O-N 3.23Å; R76-F80 WeakPolarHBondContact O-CB 3.41Å; R76-F80 PolarHBondContact O-N 3.29Å; R76-L90 HydrophobicContact CG-CB 3.97Å; R76-L90 HydrophobicContact CG-CD1 4.4Å
77	C	97.4	Very high	97.3	Very high	32 Å²	32	44.9 Å²	44.9	22%	0.216	23%	0.229	C	C	.	.	H	α-helix	trans	-63.3	-39.6	174.6	-65.3	0	0	0	0	112.6	Y73 L74 I75 F80 R81	Y73-C77 PolarHBondContact O-N 3.18Å; Y73-C77 PolarHBondContact O-SG 2.97Å; Y73-C77 VanDerWaalsContact O-SG 3.4Å; L74-C77 WeakPolarHBondContact O-CB 3.38Å; L74-C77 PolarHBondContact O-N 3Å; L74-C77 VanDerWaalsContact O-N 3.17Å; I75-C77 VanDerWaalsContact C-N 3.34Å; I75-C77 PolarHBondContact O-N 3.34Å; C77-F80 PolarHBondContact O-N 2.77Å; C77-R81 WeakPolarHBondContact O-CB 3.2Å; C77-R81 WeakPolarHBondContact O-CG 3.2Å; C77-R81 PolarHBondContact O-N 2.96Å; C77-R81 PolarHBondContact O-NE 3.4Å
78	L	98.3	Very high	97.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.2	-38.5	176.2	-72.9	166.9	0	0	0	111.8	E29 I32 L33 L74 I75 R81 G82 E83 L84	E29-L78 HydrophobicContact CG-CD1 4.33Å; E29-L78 HydrophobicContact CG-CD2 4.39Å; I32-L78 HydrophobicContact CB-CD1 4.46Å; I32-L78 HydrophobicContact CG2-CD1 3.96Å; L33-L78 HydrophobicContact CD2-CD1 4.15Å; L33-L78 HydrophobicContact CD2-CD2 4.42Å; L33-L78 HydrophobicContact CG-CD1 4.35Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 3.45Å; I75-L78 PolarHBondContact O-N 2.87Å; L78-R81 PolarHBondContact O-N 3.06Å; L78-G82 PolarHBondContact O-N 3.39Å; L78-E83 HydrophobicContact CB-CB 4.4Å; L78-E83 HydrophobicContact CD2-CB 3.98Å; L78-E83 HydrophobicContact CD2-CG 4.34Å; L78-E83 PolarHBondContact O-N 3.02Å; L78-L84 HydrophobicContact CB-CB 4.47Å; L78-L84 HydrophobicContact CB-CD1 3.73Å; L78-L84 HydrophobicContact CB-CG 4Å; L78-L84 HydrophobicContact CD1-CD1 3.99Å; L78-L84 PolarHBondContact O-N 3.32Å
79	V	97.9	Very high	97.1	Very high	36 Å²	36	45 Å²	45	22%	0.218	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-44.9	172.1	173.4	0	0	0	0	110.9	I75 R76 R81 G82 L84 L90 I98	I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 2.93Å; R76-V79 PolarHBondContact O-N 3.23Å; V79-R81 VanDerWaalsContact C-N 3.27Å; V79-R81 PolarHBondContact O-N 2.72Å; V79-G82 PolarHBondContact O-N 3.39Å; V79-L84 WeakPolarHBondContact CA-O 3.34Å; V79-L84 HydrophobicContact CG2-CB 3.71Å; V79-L90 HydrophobicContact CB-CD1 4.16Å; V79-L90 HydrophobicContact CG1-CD1 4.02Å; V79-L90 HydrophobicContact CG2-CD1 4Å; V79-I98 HydrophobicContact CG2-CG2 4.22Å
80	F	96.9	Very high	97.1	Very high	190 Å²	190	44.9 Å²	44.9	83%	0.833	24%	0.243	S	C	*	.	H	α-helix	trans	-60.7	-35.5	177.1	-178.5	-98.9	0	0	0	112.6	R76 C77 G82	R76-F80 WeakPolarHBondContact O-CB 3.41Å; R76-F80 PolarHBondContact O-N 3.29Å; C77-F80 PolarHBondContact O-N 2.77Å; F80-G82 VanDerWaalsContact C-N 3.28Å; F80-G82 PolarHBondContact O-N 3.36Å
81	R	97.2	Very high	97	Very high	115 Å²	115	48 Å²	48	43%	0.434	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-6.6	174.6	-76	-176.6	-75.5	169.4	-17.2	114.6	E29 C77 L78 V79 E83	E29-R81 IonicContact OE1-CZ 2.96Å; E29-R81 IonicContact OE1-NH1 2.72Å; E29-R81 IonicContact OE1-NH2 3.06Å; E29-R81 PolarHBondContact OE1-NH2 3.32Å; E29-R81 IonicContact OE2-CZ 2.62Å; E29-R81 IonicContact OE2-NH1 3.58Å; E29-R81 PolarHBondContact OE2-NH1 2.92Å; E29-R81 IonicContact OE2-NH2 2.95Å; E29-R81 PolarHBondContact OE2-NH2 3.02Å; C77-R81 WeakPolarHBondContact O-CB 3.2Å; C77-R81 WeakPolarHBondContact O-CG 3.2Å; C77-R81 PolarHBondContact O-N 2.96Å; C77-R81 PolarHBondContact O-NE 3.4Å; L78-R81 PolarHBondContact O-N 3.06Å; V79-R81 VanDerWaalsContact C-N 3.27Å; V79-R81 PolarHBondContact O-N 2.72Å; R81-E83 VanDerWaalsContact C-N 3.27Å; R81-E83 HydrophobicContact CB-CG 4.17Å; R81-E83 IonicContact CZ-OE1 3.41Å; R81-E83 IonicContact NE-OE1 3.65Å; R81-E83 PolarHBondContact NE-OE1 2.88Å; R81-E83 IonicContact NH1-OE1 3.78Å; R81-E83 PolarHBondContact NH1-OE1 3.08Å; R81-E83 PolarHBondContact O-N 3.43Å
82	G	96.8	Very high	96.8	Very high	47 Å²	47	50.4 Å²	50.4	49%	0.485	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	9.4	-176.2	0	0	0	0	0	114.5	L78 V79 F80 L84	L78-G82 PolarHBondContact O-N 3.39Å; V79-G82 PolarHBondContact O-N 3.39Å; F80-G82 VanDerWaalsContact C-N 3.28Å; F80-G82 PolarHBondContact O-N 3.36Å; G82-L84 VanDerWaalsContact C-N 3.3Å
83	E	97	Very high	96.6	Very high	61 Å²	61	51 Å²	51	29%	0.285	27%	0.269	S	S	.	.	S	Bend	trans	-77.5	-20.2	176.4	-63.1	-173.6	-122.6	0	0	112.4	L78 R81 P101	L78-E83 HydrophobicContact CB-CB 4.4Å; L78-E83 HydrophobicContact CD2-CB 3.98Å; L78-E83 HydrophobicContact CD2-CG 4.34Å; L78-E83 PolarHBondContact O-N 3.02Å; R81-E83 VanDerWaalsContact C-N 3.27Å; R81-E83 HydrophobicContact CB-CG 4.17Å; R81-E83 IonicContact CZ-OE1 3.41Å; R81-E83 IonicContact NE-OE1 3.65Å; R81-E83 PolarHBondContact NE-OE1 2.88Å; R81-E83 IonicContact NH1-OE1 3.78Å; R81-E83 PolarHBondContact NH1-OE1 3.08Å; R81-E83 PolarHBondContact O-N 3.43Å; E83-P101 WeakPolarHBondContact O-CD 3.42Å
84	L	98.1	Very high	96.4	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	29%	0.288	C	S	.	.	S	Bend	trans	-133.6	153.9	173.6	-65.8	176.9	0	0	0	110.7	I32 L33 V36 I75 L78 V79 G82 I98 K99	I32-L84 HydrophobicContact CG2-CD1 4.37Å; L33-L84 HydrophobicContact CD2-CD1 4.42Å; L33-L84 HydrophobicContact CD2-CD2 3.83Å; L33-L84 HydrophobicContact CD2-CG 4.07Å; V36-L84 HydrophobicContact CB-CD2 4.49Å; V36-L84 HydrophobicContact CG2-CD2 3.63Å; I75-L84 HydrophobicContact CG2-CD1 4.45Å; L78-L84 HydrophobicContact CB-CB 4.47Å; L78-L84 HydrophobicContact CB-CD1 3.73Å; L78-L84 HydrophobicContact CB-CG 4Å; L78-L84 HydrophobicContact CD1-CD1 3.99Å; L78-L84 PolarHBondContact O-N 3.32Å; V79-L84 WeakPolarHBondContact CA-O 3.34Å; V79-L84 HydrophobicContact CG2-CB 3.71Å; G82-L84 VanDerWaalsContact C-N 3.3Å; L84-I98 HydrophobicContact CD1-CD1 3.95Å; L84-K99 WeakPolarHBondContact CA-O 3.4Å
85	V	98	Very high	96.2	Very high	50 Å²	50	62.3 Å²	62.3	30%	0.303	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.8	167.6	-175.9	0	0	0	0	108.1	Y87 I98 K99 P101	V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 4.39Å; V85-Y87 HydrophobicContact CG1-CE2 3.81Å; V85-I98 VanDerWaalsContact O-CA 3.29Å; V85-I98 WeakPolarHBondContact O-CA 3.21Å; V85-K99 HydrophobicContact CB-CG 4.36Å; V85-K99 PolarHBondContact N-O 2.79Å; V85-K99 PolarHBondContact O-N 2.83Å; V85-K99 VanDerWaalsContact O-N 3.1Å; V85-P101 HydrophobicContact CG2-CB 4.13Å
86	G	97.5	Very high	96.2	Very high	27 Å²	27	62.3 Å²	62.3	28%	0.278	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	144.6	177.8	0	0	0	0	0	113.2	E97	G86-E97 CarbonylContact C-O 3.58Å; G86-E97 WeakPolarHBondContact CA-O 3.47Å
87	Y	97.4	Very high	96.2	Very high	97 Å²	97	62.8 Å²	62.8	38%	0.38	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.1	177	-58.6	-89	0	0	0	110.4	T41 V85 S96 E97 K99	T41-Y87 HydrophobicContact CG2-CD2 3.77Å; T41-Y87 HydrophobicContact CG2-CE2 3.68Å; V85-Y87 HydrophobicContact CB-CE2 4.26Å; V85-Y87 HydrophobicContact CG1-CE1 4.39Å; V85-Y87 HydrophobicContact CG1-CE2 3.81Å; Y87-S96 CarbonylContact O-C 3.51Å; Y87-S96 WeakPolarHBondContact O-CA 3.5Å; Y87-S96 VanDerWaalsContact O-CB 3.26Å; Y87-S96 WeakPolarHBondContact O-CB 3.29Å; Y87-E97 PolarHBondContact N-O 3.08Å; Y87-E97 PolarHBondContact O-N 3.41Å; Y87-K99 HydrophobicContact CE2-CD 4.02Å; Y87-K99 HydrophobicContact CE2-CG 3.99Å; Y87-K99 WeakPolarHBondContact OH-CE 3.28Å
88	G	95.2	Very high	96.2	Very high	67 Å²	67	61.2 Å²	61.2	69%	0.691	31%	0.305	S	S	*	.	S	Bend	trans	79.7	-163.4	-176.2	0	0	0	0	0	113.5	L90	G88-L90 PolarHBondContact O-N 2.87Å
89	D	94.3	Very high	96.2	Very high	49 Å²	49	63.2 Å²	63.2	26%	0.262	31%	0.314	S	S	.	.			trans	-85.1	104.5	175.9	-170.6	-11.3	0	0	0	109.8	R6 F91 R92 S96	R6-D89 IonicContact CZ-OD2 3.36Å; R6-D89 IonicContact NE-OD1 3.39Å; R6-D89 IonicContact NE-OD2 2.77Å; R6-D89 PolarHBondContact NE-OD2 3.45Å; R6-D89 IonicContact NH2-OD2 3.48Å; R6-D89 PolarHBondContact NH2-OD2 2.68Å; D89-F91 PolarHBondContact O-N 3.16Å; D89-F91 VanDerWaalsContact O-N 3.11Å; D89-F91 WeakPolarHBondContact OD1-CB 3.23Å; D89-F91 WeakPolarHBondContact OD1-CD2 3.4Å; D89-F91 PolarHBondContact OD1-N 3.03Å; D89-R92 HydrophobicContact CB-CB 4.35Å; D89-R92 HydrophobicContact CB-CG 4.32Å; D89-R92 CarbonylContact O-C 3.58Å; D89-R92 WeakPolarHBondContact O-CA 3.47Å; D89-R92 PolarHBondContact O-N 3.18Å; D89-S96 VanDerWaalsContact O-CB 3.24Å; D89-S96 WeakPolarHBondContact O-CB 3.17Å; D89-S96 PolarHBondContact O-OG 3.21Å
90	L	95.3	Very high	96.2	Very high	29 Å²	29	65.1 Å²	65.1	15%	0.152	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.5	178.5	-63.9	176.2	0	0	0	113.8	V44 R76 V79 G88 I98	V44-L90 HydrophobicContact CG2-CD2 4.1Å; R76-L90 HydrophobicContact CG-CB 3.97Å; R76-L90 HydrophobicContact CG-CD1 4.4Å; V79-L90 HydrophobicContact CB-CD1 4.16Å; V79-L90 HydrophobicContact CG1-CD1 4.02Å; V79-L90 HydrophobicContact CG2-CD1 4Å; G88-L90 PolarHBondContact O-N 2.87Å; L90-I98 HydrophobicContact CD2-CG2 4.12Å
91	F	93.9	Very high	96.1	Very high	76 Å²	76	58.2 Å²	58.2	33%	0.333	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	11	166.4	-61.3	-90.1	0	0	0	112.2	R6 D7 D89	R6-F91 CarbonylContact C-O 3.49Å; R6-F91 WeakPolarHBondContact CA-O 3.18Å; R6-F91 HydrophobicContact CB-CB 4.09Å; R6-F91 HydrophobicContact CG-CB 3.85Å; D7-F91 PolarHBondContact N-O 3.36Å; D89-F91 PolarHBondContact O-N 3.16Å; D89-F91 VanDerWaalsContact O-N 3.11Å; D89-F91 WeakPolarHBondContact OD1-CB 3.23Å; D89-F91 WeakPolarHBondContact OD1-CD2 3.4Å; D89-F91 PolarHBondContact OD1-N 3.03Å
92	R	93.4	Very high	95.8	Very high	51 Å²	51	57.4 Å²	57.4	19%	0.192	30%	0.299	C	S	.	.			trans	-136.1	84.1	174	-64.1	-177.5	74.8	-154.3	-1.7	108.6	D3 R6 D7 D89 R94 Y95 S96	D3-R92 PolarHBondContact O-NH2 3.23Å; R6-R92 HydrophobicContact CG-CG 4.18Å; D7-R92 VanDerWaalsContact OD2-CA 3.26Å; D7-R92 WeakPolarHBondContact OD2-CA 3.22Å; D89-R92 HydrophobicContact CB-CB 4.35Å; D89-R92 HydrophobicContact CB-CG 4.32Å; D89-R92 CarbonylContact O-C 3.58Å; D89-R92 WeakPolarHBondContact O-CA 3.47Å; D89-R92 PolarHBondContact O-N 3.18Å; R92-R94 PolarHBondContact O-N 2.62Å; R92-R94 VanDerWaalsContact O-N 3.1Å; R92-Y95 HydrophobicContact CB-CD2 4.09Å; R92-Y95 CarbonylContact O-C 3.54Å; R92-Y95 WeakPolarHBondContact O-CA 3.46Å; R92-Y95 PolarHBondContact O-N 2.88Å; R92-S96 PolarHBondContact O-N 3.1Å; R92-S96 PolarHBondContact O-OG 3.43Å
93	M	93.3	Very high	95	Very high	15 Å²	15	61.4 Å²	61.4	7%	0.074	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-36.2	-172	-69.7	-172.4	-84.1	0	0	113.4	D7 V44 A45 V48 A72 Y95	D7-M93 HydrophobicContact CB-CE 4.47Å; D7-M93 VanDerWaalsContact OD2-CG 3.3Å; D7-M93 WeakPolarHBondContact OD2-CG 3.17Å; D7-M93 PolarHBondContact OD2-N 3.41Å; V44-M93 HydrophobicContact CB-CB 4.27Å; V44-M93 HydrophobicContact CG1-CB 3.95Å; V44-M93 HydrophobicContact CG1-CG 3.69Å; V44-M93 HydrophobicContact CG1-SD 4.49Å; A45-M93 HydrophobicContact CB-CB 4.02Å; A45-M93 PolarHBondContact N-O 3.47Å; V48-M93 HydrophobicContact CB-SD 4.33Å; V48-M93 HydrophobicContact CG1-SD 4.3Å; V48-M93 HydrophobicContact CG2-SD 3.93Å; A72-M93 HydrophobicContact CB-CG 3.99Å; A72-M93 HydrophobicContact CB-SD 3.65Å; M93-Y95 VanDerWaalsContact C-N 3.3Å
94	R	93.3	Very high	93	Very high	191 Å²	191	69.4 Å²	69.4	72%	0.721	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.9	179.2	-63.4	-177.4	-178.8	-177.8	1.5	113.3	A45 R92	A45-R94 HydrophobicContact CB-CG 4.04Å; R92-R94 PolarHBondContact O-N 2.62Å; R92-R94 VanDerWaalsContact O-N 3.1Å
95	Y	94	Very high	92.8	Very high	130 Å²	130	72.8 Å²	72.8	51%	0.51	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	6.2	-174.7	-60.4	-81.4	0	0	0	113.1	R92 M93	R92-Y95 HydrophobicContact CB-CD2 4.09Å; R92-Y95 CarbonylContact O-C 3.54Å; R92-Y95 WeakPolarHBondContact O-CA 3.46Å; R92-Y95 PolarHBondContact O-N 2.88Å; M93-Y95 VanDerWaalsContact C-N 3.3Å
96	S	96.7	Very high	92.5	Very high	1 Å²	1	73.9 Å²	73.9	1%	0.007	38%	0.379	C	S	.	.			trans	-122.8	158.1	176.7	48.9	0	0	0	0	112.1	K43 V44 Y87 D89 R92	K43-S96 WeakPolarHBondContact CA-O 3.44Å; V44-S96 WeakPolarHBondContact CG2-OG 3.17Å; V44-S96 PolarHBondContact N-O 2.87Å; Y87-S96 CarbonylContact O-C 3.51Å; Y87-S96 WeakPolarHBondContact O-CA 3.5Å; Y87-S96 VanDerWaalsContact O-CB 3.26Å; Y87-S96 WeakPolarHBondContact O-CB 3.29Å; D89-S96 VanDerWaalsContact O-CB 3.24Å; D89-S96 WeakPolarHBondContact O-CB 3.17Å; D89-S96 PolarHBondContact O-OG 3.21Å; R92-S96 PolarHBondContact O-N 3.1Å; R92-S96 PolarHBondContact O-OG 3.43Å
97	E	98.2	Very high	92.2	Very high	51 Å²	51	76.6 Å²	76.6	24%	0.238	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.8	-179.2	-63	176.5	-176.5	0	0	111.4	T41 R42 K43 G86 Y87	T41-E97 WeakPolarHBondContact CB-OE2 3.46Å; T41-E97 PolarHBondContact OG1-OE2 2.81Å; R42-E97 CarbonylContact O-C 3.5Å; R42-E97 WeakPolarHBondContact O-CA 3.17Å; R42-E97 WeakPolarHBondContact O-CB 3.41Å; K43-E97 HydrophobicContact CD-CG 3.75Å; K43-E97 VanDerWaalsContact CE-OE1 3.23Å; K43-E97 WeakPolarHBondContact CE-OE1 3.3Å; K43-E97 HydrophobicContact CG-CG 4.4Å; K43-E97 IonicContact NZ-OE1 3.32Å; K43-E97 PolarHBondContact NZ-OE1 3.16Å; G86-E97 CarbonylContact C-O 3.58Å; G86-E97 WeakPolarHBondContact CA-O 3.47Å; Y87-E97 PolarHBondContact N-O 3.08Å; Y87-E97 PolarHBondContact O-N 3.41Å
98	I	98.4	Very high	91.9	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.5	177.1	51.1	168.6	0	0	0	111	V36 T41 R42 V44 V47 I75 V79 L84 V85 L90	V36-I98 HydrophobicContact CG1-CD1 3.89Å; V36-I98 HydrophobicContact CG1-CG1 4.02Å; T41-I98 WeakPolarHBondContact CA-O 3.39Å; R42-I98 PolarHBondContact N-O 3.1Å; R42-I98 PolarHBondContact O-N 3.39Å; V44-I98 HydrophobicContact CG2-CG1 4.25Å; V44-I98 HydrophobicContact CG2-CG2 3.89Å; V47-I98 HydrophobicContact CB-CD1 4.22Å; V47-I98 HydrophobicContact CG1-CD1 4.12Å; V47-I98 HydrophobicContact CG2-CD1 4.05Å; V47-I98 HydrophobicContact CG2-CG1 4.31Å; I75-I98 HydrophobicContact CD1-CD1 4.06Å; I75-I98 HydrophobicContact CG1-CD1 4.25Å; I75-I98 HydrophobicContact CG2-CD1 3.94Å; I75-I98 HydrophobicContact CG2-CG2 3.81Å; V79-I98 HydrophobicContact CG2-CG2 4.22Å; L84-I98 HydrophobicContact CD1-CD1 3.95Å; V85-I98 VanDerWaalsContact O-CA 3.29Å; V85-I98 WeakPolarHBondContact O-CA 3.21Å; L90-I98 HydrophobicContact CD2-CG2 4.12Å
99	K	98	Very high	91.7	Very high	41 Å²	41	75.9 Å²	75.9	18%	0.178	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	170.1	168.3	76.3	-179.1	-162.4	169	0	110.7	D37 A38 T41 L84 V85 Y87	D37-K99 WeakPolarHBondContact O-CB 3.42Å; A38-K99 PolarHBondContact O-NZ 3.44Å; T41-K99 HydrophobicContact CG2-CB 4.34Å; T41-K99 HydrophobicContact CG2-CD 3.99Å; T41-K99 HydrophobicContact CG2-CG 4.45Å; L84-K99 WeakPolarHBondContact CA-O 3.4Å; V85-K99 HydrophobicContact CB-CG 4.36Å; V85-K99 PolarHBondContact N-O 2.79Å; V85-K99 PolarHBondContact O-N 2.83Å; V85-K99 VanDerWaalsContact O-N 3.1Å; Y87-K99 HydrophobicContact CE2-CD 4.02Å; Y87-K99 HydrophobicContact CE2-CG 3.99Å; Y87-K99 WeakPolarHBondContact OH-CE 3.28Å
100	R	97.4	Very high	91.5	Very high	77 Å²	77	77.7 Å²	77.7	29%	0.291	37%	0.372	S	S	.	.			trans	-70.9	144.6	170.3	-69.3	-70.8	-163.6	152.2	13.6	111.1	L33 V36 D37 A38	L33-R100 VanDerWaalsContact CB-NH2 3.32Å; L33-R100 PolarHBondContact O-NH2 3.47Å; V36-R100 HydrophobicContact CG2-CG 4.19Å; V36-R100 WeakPolarHBondContact O-CG 3.41Å; D37-R100 PolarHBondContact O-N 2.94Å; A38-R100 HydrophobicContact CB-CB 4.18Å
101	P	95.7	Very high	91.3	Very high	45 Å²	45	81.1 Å²	81.1	29%	0.292	39%	0.388	S	S	.	.			trans	-59.8	149.3	168.3	28.8	-35.7	0	0	0	110.2	E83 V85 T103	E83-P101 WeakPolarHBondContact O-CD 3.42Å; V85-P101 HydrophobicContact CG2-CB 4.13Å; P101-T103 PolarHBondContact O-N 3.3Å
102	V	89.9	Confident	91.1	Very high	97 Å²	97	81.5 Å²	81.5	59%	0.588	39%	0.392	S	S	*	.			trans	-77.2	109.8	169	-179.5	0	0	0	0	106.7	L104	V102-L104 PolarHBondContact O-N 3.29Å
103	T	79.3	Confident	90.9	Very high	132 Å²	132	84.1 Å²	84.1	81%	0.81	41%	0.409	S	S	*	.			trans	-73.2	112.3	166.8	-47.1	0	0	0	0	107.2	P101	P101-T103 PolarHBondContact O-N 3.3Å
104	L	56.3	Low	90.6	Very high	229 Å²	229	90.4 Å²	90.4	100%	1.199	44%	0.439	S	S	*	.			trans	-74.9	0	168.9	-69.9	172.7	0	0	0	110.7	V102	V102-L104 PolarHBondContact O-N 3.29Å

Retrieved 104 of 104 residues in 32.4 ms (Link to these results)

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